Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 16:44:46 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: ./ZrCdCu2.save/ file Cd.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4D 4D 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 87 27 8 3250 561 91 Max 90 28 9 3252 577 93 Sum 3169 979 295 117037 20395 3287 bravais-lattice index = 14 lattice parameter (alat) = 8.4717 a.u. unit-cell volume = 429.9365 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 3 number of electrons = 38.00 number of Kohn-Sham states= 46 kinetic-energy cutoff = 50.0000 Ry charge density cutoff = 639.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.471749 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 Zr read from file: /users/gautes/Pseudo/Zr.rel-pbe-n-nc.UPF MD5 check sum: 453101d5cee66cf3691e2371f73c5d7d Pseudo is Norm-conserving + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1225 points, 4 beta functions with: l(1) = 1 l(2) = 1 l(3) = 2 l(4) = 2 PseudoPot. # 2 for Cd read from file: /users/gautes/Pseudo/Cd.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 1d41bce1441572f114805845d9d822b0 Pseudo is Ultrasoft + core correction, Zval = 12.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1239 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 Zr 4.00 91.22400 Zr( 1.00) Cd 12.00 112.41100 Cd( 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= 333 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030030 k( 2) = ( 0.0100000 -0.0057735 0.0081650), wk = 0.0030030 k( 3) = ( 0.0200000 -0.0115470 0.0163299), wk = 0.0030030 k( 4) = ( 0.0300000 -0.0173205 0.0244949), wk = 0.0030030 k( 5) = ( 0.0400000 -0.0230940 0.0326599), wk = 0.0030030 k( 6) = ( 0.0500000 -0.0288675 0.0408248), wk = 0.0030030 k( 7) = ( 0.0600000 -0.0346410 0.0489898), wk = 0.0030030 k( 8) = ( 0.0700000 -0.0404145 0.0571548), wk = 0.0030030 k( 9) = ( 0.0800000 -0.0461880 0.0653197), wk = 0.0030030 k( 10) = ( 0.0900000 -0.0519615 0.0734847), wk = 0.0030030 k( 11) = ( 0.1000000 -0.0577350 0.0816497), wk = 0.0030030 k( 12) = ( 0.1100000 -0.0635085 0.0898146), wk = 0.0030030 k( 13) = ( 0.1200000 -0.0692820 0.0979796), wk = 0.0030030 k( 14) = ( 0.1300000 -0.0750555 0.1061446), wk = 0.0030030 k( 15) = ( 0.1400000 -0.0808290 0.1143095), wk = 0.0030030 k( 16) = ( 0.1500000 -0.0866025 0.1224745), wk = 0.0030030 k( 17) = ( 0.1600000 -0.0923760 0.1306395), wk = 0.0030030 k( 18) = ( 0.1700000 -0.0981495 0.1388044), wk = 0.0030030 k( 19) = ( 0.1800000 -0.1039230 0.1469694), wk = 0.0030030 k( 20) = ( 0.1900000 -0.1096966 0.1551344), wk = 0.0030030 k( 21) = ( 0.2000000 -0.1154701 0.1632993), wk = 0.0030030 k( 22) = ( 0.2100000 -0.1212436 0.1714643), wk = 0.0030030 k( 23) = ( 0.2200000 -0.1270171 0.1796292), wk = 0.0030030 k( 24) = ( 0.2300000 -0.1327906 0.1877942), wk = 0.0030030 k( 25) = ( 0.2400000 -0.1385641 0.1959592), wk = 0.0030030 k( 26) = ( 0.2500000 -0.1443376 0.2041241), wk = 0.0030030 k( 27) = ( 0.2600000 -0.1501111 0.2122891), wk = 0.0030030 k( 28) = ( 0.2700000 -0.1558846 0.2204541), wk = 0.0030030 k( 29) = ( 0.2800000 -0.1616581 0.2286190), wk = 0.0030030 k( 30) = ( 0.2900000 -0.1674316 0.2367840), wk = 0.0030030 k( 31) = ( 0.3000000 -0.1732051 0.2449490), wk = 0.0030030 k( 32) = ( 0.3100000 -0.1789786 0.2531139), wk = 0.0030030 k( 33) = ( 0.3200000 -0.1847521 0.2612789), wk = 0.0030030 k( 34) = ( 0.3300000 -0.1905256 0.2694439), wk = 0.0030030 k( 35) = ( 0.3400000 -0.1962991 0.2776088), wk = 0.0030030 k( 36) = ( 0.3500000 -0.2020726 0.2857738), wk = 0.0030030 k( 37) = ( 0.3600000 -0.2078461 0.2939388), wk = 0.0030030 k( 38) = ( 0.3700000 -0.2136196 0.3021037), wk = 0.0030030 k( 39) = ( 0.3800000 -0.2193931 0.3102687), wk = 0.0030030 k( 40) = ( 0.3900000 -0.2251666 0.3184337), wk = 0.0030030 k( 41) = ( 0.4000000 -0.2309401 0.3265986), wk = 0.0030030 k( 42) = ( 0.4100000 -0.2367136 0.3347636), wk = 0.0030030 k( 43) = ( 0.4200000 -0.2424871 0.3429286), wk = 0.0030030 k( 44) = ( 0.4300000 -0.2482606 0.3510935), wk = 0.0030030 k( 45) = ( 0.4400000 -0.2540341 0.3592585), wk = 0.0030030 k( 46) = ( 0.4500000 -0.2598076 0.3674235), wk = 0.0030030 k( 47) = ( 0.4600000 -0.2655811 0.3755884), wk = 0.0030030 k( 48) = ( 0.4700000 -0.2713546 0.3837534), wk = 0.0030030 k( 49) = ( 0.4800000 -0.2771281 0.3919184), wk = 0.0030030 k( 50) = ( 0.4900000 -0.2829016 0.4000833), wk = 0.0030030 k( 51) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0030030 k( 52) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0030030 k( 53) = ( 0.5000000 -0.2771281 0.4164133), wk = 0.0030030 k( 54) = ( 0.5000000 -0.2655811 0.4245782), wk = 0.0030030 k( 55) = ( 0.5000000 -0.2540341 0.4327432), wk = 0.0030030 k( 56) = ( 0.5000000 -0.2424871 0.4409082), wk = 0.0030030 k( 57) = ( 0.5000000 -0.2309401 0.4490731), wk = 0.0030030 k( 58) = ( 0.5000000 -0.2193931 0.4572381), wk = 0.0030030 k( 59) = ( 0.5000000 -0.2078461 0.4654031), wk = 0.0030030 k( 60) = ( 0.5000000 -0.1962991 0.4735680), wk = 0.0030030 k( 61) = ( 0.5000000 -0.1847521 0.4817330), wk = 0.0030030 k( 62) = ( 0.5000000 -0.1732051 0.4898979), wk = 0.0030030 k( 63) = ( 0.5000000 -0.1616581 0.4980629), wk = 0.0030030 k( 64) = ( 0.5000000 -0.1501111 0.5062279), wk = 0.0030030 k( 65) = ( 0.5000000 -0.1385641 0.5143928), wk = 0.0030030 k( 66) = ( 0.5000000 -0.1270171 0.5225578), wk = 0.0030030 k( 67) = ( 0.5000000 -0.1154701 0.5307228), wk = 0.0030030 k( 68) = ( 0.5000000 -0.1039230 0.5388877), wk = 0.0030030 k( 69) = ( 0.5000000 -0.0923760 0.5470527), wk = 0.0030030 k( 70) = ( 0.5000000 -0.0808290 0.5552177), wk = 0.0030030 k( 71) = ( 0.5000000 -0.0692820 0.5633826), wk = 0.0030030 k( 72) = ( 0.5000000 -0.0577350 0.5715476), wk = 0.0030030 k( 73) = ( 0.5000000 -0.0461880 0.5797126), wk = 0.0030030 k( 74) = ( 0.5000000 -0.0346410 0.5878775), wk = 0.0030030 k( 75) = ( 0.5000000 -0.0230940 0.5960425), wk = 0.0030030 k( 76) = ( 0.5000000 -0.0115470 0.6042075), wk = 0.0030030 k( 77) = ( 0.5000000 0.0000000 0.6123724), wk = 0.0030030 k( 78) = ( 0.5000000 0.0000000 0.6123724), wk = 0.0030030 k( 79) = ( 0.4930556 0.0120281 0.6123724), wk = 0.0030030 k( 80) = ( 0.4861111 0.0240563 0.6123724), wk = 0.0030030 k( 81) = ( 0.4791667 0.0360844 0.6123724), wk = 0.0030030 k( 82) = ( 0.4722222 0.0481125 0.6123724), wk = 0.0030030 k( 83) = ( 0.4652778 0.0601406 0.6123724), wk = 0.0030030 k( 84) = ( 0.4583333 0.0721688 0.6123724), wk = 0.0030030 k( 85) = ( 0.4513889 0.0841969 0.6123724), wk = 0.0030030 k( 86) = ( 0.4444444 0.0962251 0.6123724), wk = 0.0030030 k( 87) = ( 0.4375000 0.1082532 0.6123724), wk = 0.0030030 k( 88) = ( 0.4305556 0.1202813 0.6123724), wk = 0.0030030 k( 89) = ( 0.4236111 0.1323094 0.6123724), wk = 0.0030030 k( 90) = ( 0.4166667 0.1443376 0.6123724), wk = 0.0030030 k( 91) = ( 0.4097222 0.1563657 0.6123724), wk = 0.0030030 k( 92) = ( 0.4027778 0.1683938 0.6123724), wk = 0.0030030 k( 93) = ( 0.3958333 0.1804220 0.6123724), wk = 0.0030030 k( 94) = ( 0.3888889 0.1924501 0.6123724), wk = 0.0030030 k( 95) = ( 0.3819444 0.2044782 0.6123724), wk = 0.0030030 k( 96) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0030030 k( 97) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0030030 k( 98) = ( 0.3679245 0.2124213 0.6008182), wk = 0.0030030 k( 99) = ( 0.3608491 0.2083363 0.5892640), wk = 0.0030030 k( 100) = ( 0.3537736 0.2042513 0.5777098), wk = 0.0030030 k( 101) = ( 0.3466981 0.2001662 0.5661557), wk = 0.0030030 k( 102) = ( 0.3396226 0.1960812 0.5546014), wk = 0.0030030 k( 103) = ( 0.3325472 0.1919962 0.5430473), wk = 0.0030030 k( 104) = ( 0.3254717 0.1879112 0.5314931), wk = 0.0030030 k( 105) = ( 0.3183962 0.1838261 0.5199389), wk = 0.0030030 k( 106) = ( 0.3113207 0.1797411 0.5083847), wk = 0.0030030 k( 107) = ( 0.3042453 0.1756561 0.4968305), wk = 0.0030030 k( 108) = ( 0.2971698 0.1715711 0.4852763), wk = 0.0030030 k( 109) = ( 0.2900943 0.1674860 0.4737221), wk = 0.0030030 k( 110) = ( 0.2830189 0.1634010 0.4621679), wk = 0.0030030 k( 111) = ( 0.2759434 0.1593160 0.4506137), wk = 0.0030030 k( 112) = ( 0.2688679 0.1552310 0.4390595), wk = 0.0030030 k( 113) = ( 0.2617925 0.1511459 0.4275053), wk = 0.0030030 k( 114) = ( 0.2547170 0.1470609 0.4159511), wk = 0.0030030 k( 115) = ( 0.2476415 0.1429759 0.4043969), wk = 0.0030030 k( 116) = ( 0.2405660 0.1388909 0.3928427), wk = 0.0030030 k( 117) = ( 0.2334906 0.1348058 0.3812885), wk = 0.0030030 k( 118) = ( 0.2264151 0.1307208 0.3697343), wk = 0.0030030 k( 119) = ( 0.2193396 0.1266358 0.3581801), wk = 0.0030030 k( 120) = ( 0.2122642 0.1225508 0.3466259), wk = 0.0030030 k( 121) = ( 0.2051887 0.1184657 0.3350717), wk = 0.0030030 k( 122) = ( 0.1981132 0.1143807 0.3235175), wk = 0.0030030 k( 123) = ( 0.1910377 0.1102957 0.3119633), wk = 0.0030030 k( 124) = ( 0.1839623 0.1062107 0.3004091), wk = 0.0030030 k( 125) = ( 0.1768868 0.1021256 0.2888549), wk = 0.0030030 k( 126) = ( 0.1698113 0.0980406 0.2773007), wk = 0.0030030 k( 127) = ( 0.1627358 0.0939556 0.2657465), wk = 0.0030030 k( 128) = ( 0.1556604 0.0898706 0.2541923), wk = 0.0030030 k( 129) = ( 0.1485849 0.0857855 0.2426381), wk = 0.0030030 k( 130) = ( 0.1415094 0.0817005 0.2310839), wk = 0.0030030 k( 131) = ( 0.1344340 0.0776155 0.2195297), wk = 0.0030030 k( 132) = ( 0.1273585 0.0735305 0.2079755), wk = 0.0030030 k( 133) = ( 0.1202830 0.0694454 0.1964213), wk = 0.0030030 k( 134) = ( 0.1132076 0.0653604 0.1848671), wk = 0.0030030 k( 135) = ( 0.1061321 0.0612754 0.1733129), wk = 0.0030030 k( 136) = ( 0.0990566 0.0571904 0.1617588), wk = 0.0030030 k( 137) = ( 0.0919811 0.0531053 0.1502046), wk = 0.0030030 k( 138) = ( 0.0849057 0.0490203 0.1386504), wk = 0.0030030 k( 139) = ( 0.0778302 0.0449353 0.1270962), wk = 0.0030030 k( 140) = ( 0.0707547 0.0408503 0.1155420), wk = 0.0030030 k( 141) = ( 0.0636793 0.0367652 0.1039878), wk = 0.0030030 k( 142) = ( 0.0566038 0.0326802 0.0924336), wk = 0.0030030 k( 143) = ( 0.0495283 0.0285952 0.0808794), wk = 0.0030030 k( 144) = ( 0.0424528 0.0245102 0.0693252), wk = 0.0030030 k( 145) = ( 0.0353774 0.0204251 0.0577710), wk = 0.0030030 k( 146) = ( 0.0283019 0.0163401 0.0462168), wk = 0.0030030 k( 147) = ( 0.0212264 0.0122551 0.0346626), wk = 0.0030030 k( 148) = ( 0.0141509 0.0081700 0.0231084), wk = 0.0030030 k( 149) = ( 0.0070755 0.0040850 0.0115542), wk = 0.0030030 k( 150) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030030 k( 151) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030030 k( 152) = ( 0.0116279 0.0067134 0.0047471), wk = 0.0030030 k( 153) = ( 0.0232558 0.0134267 0.0094941), wk = 0.0030030 k( 154) = ( 0.0348837 0.0201401 0.0142412), wk = 0.0030030 k( 155) = ( 0.0465116 0.0268535 0.0189883), wk = 0.0030030 k( 156) = ( 0.0581395 0.0335669 0.0237354), wk = 0.0030030 k( 157) = ( 0.0697674 0.0402803 0.0284824), wk = 0.0030030 k( 158) = ( 0.0813954 0.0469936 0.0332295), wk = 0.0030030 k( 159) = ( 0.0930233 0.0537070 0.0379766), wk = 0.0030030 k( 160) = ( 0.1046512 0.0604204 0.0427237), wk = 0.0030030 k( 161) = ( 0.1162791 0.0671338 0.0474707), wk = 0.0030030 k( 162) = ( 0.1279070 0.0738471 0.0522178), wk = 0.0030030 k( 163) = ( 0.1395349 0.0805605 0.0569649), wk = 0.0030030 k( 164) = ( 0.1511628 0.0872739 0.0617120), wk = 0.0030030 k( 165) = ( 0.1627907 0.0939873 0.0664590), wk = 0.0030030 k( 166) = ( 0.1744186 0.1007006 0.0712061), wk = 0.0030030 k( 167) = ( 0.1860465 0.1074140 0.0759532), wk = 0.0030030 k( 168) = ( 0.1976744 0.1141274 0.0807002), wk = 0.0030030 k( 169) = ( 0.2093023 0.1208408 0.0854473), wk = 0.0030030 k( 170) = ( 0.2209302 0.1275541 0.0901944), wk = 0.0030030 k( 171) = ( 0.2325581 0.1342675 0.0949415), wk = 0.0030030 k( 172) = ( 0.2441860 0.1409809 0.0996885), wk = 0.0030030 k( 173) = ( 0.2558140 0.1476943 0.1044356), wk = 0.0030030 k( 174) = ( 0.2674419 0.1544076 0.1091827), wk = 0.0030030 k( 175) = ( 0.2790698 0.1611210 0.1139298), wk = 0.0030030 k( 176) = ( 0.2906977 0.1678344 0.1186768), wk = 0.0030030 k( 177) = ( 0.3023256 0.1745478 0.1234239), wk = 0.0030030 k( 178) = ( 0.3139535 0.1812611 0.1281710), wk = 0.0030030 k( 179) = ( 0.3255814 0.1879745 0.1329180), wk = 0.0030030 k( 180) = ( 0.3372093 0.1946879 0.1376651), wk = 0.0030030 k( 181) = ( 0.3488372 0.2014013 0.1424122), wk = 0.0030030 k( 182) = ( 0.3604651 0.2081146 0.1471593), wk = 0.0030030 k( 183) = ( 0.3720930 0.2148280 0.1519063), wk = 0.0030030 k( 184) = ( 0.3837209 0.2215414 0.1566534), wk = 0.0030030 k( 185) = ( 0.3953488 0.2282548 0.1614005), wk = 0.0030030 k( 186) = ( 0.4069767 0.2349681 0.1661476), wk = 0.0030030 k( 187) = ( 0.4186047 0.2416815 0.1708946), wk = 0.0030030 k( 188) = ( 0.4302326 0.2483949 0.1756417), wk = 0.0030030 k( 189) = ( 0.4418605 0.2551083 0.1803888), wk = 0.0030030 k( 190) = ( 0.4534884 0.2618216 0.1851359), wk = 0.0030030 k( 191) = ( 0.4651163 0.2685350 0.1898829), wk = 0.0030030 k( 192) = ( 0.4767442 0.2752484 0.1946300), wk = 0.0030030 k( 193) = ( 0.4883721 0.2819618 0.1993771), wk = 0.0030030 k( 194) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0030030 k( 195) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0030030 k( 196) = ( 0.5040323 0.2770350 0.2107088), wk = 0.0030030 k( 197) = ( 0.5080645 0.2653949 0.2172934), wk = 0.0030030 k( 198) = ( 0.5120968 0.2537548 0.2238781), wk = 0.0030030 k( 199) = ( 0.5161290 0.2421146 0.2304627), wk = 0.0030030 k( 200) = ( 0.5201613 0.2304745 0.2370474), wk = 0.0030030 k( 201) = ( 0.5241936 0.2188344 0.2436320), wk = 0.0030030 k( 202) = ( 0.5282258 0.2071943 0.2502167), wk = 0.0030030 k( 203) = ( 0.5322581 0.1955541 0.2568013), wk = 0.0030030 k( 204) = ( 0.5362903 0.1839140 0.2633860), wk = 0.0030030 k( 205) = ( 0.5403226 0.1722739 0.2699706), wk = 0.0030030 k( 206) = ( 0.5443548 0.1606337 0.2765553), wk = 0.0030030 k( 207) = ( 0.5483871 0.1489936 0.2831399), wk = 0.0030030 k( 208) = ( 0.5524193 0.1373535 0.2897246), wk = 0.0030030 k( 209) = ( 0.5564516 0.1257134 0.2963092), wk = 0.0030030 k( 210) = ( 0.5604839 0.1140732 0.3028939), wk = 0.0030030 k( 211) = ( 0.5645161 0.1024331 0.3094785), wk = 0.0030030 k( 212) = ( 0.5685484 0.0907930 0.3160632), wk = 0.0030030 k( 213) = ( 0.5725807 0.0791529 0.3226478), wk = 0.0030030 k( 214) = ( 0.5766129 0.0675127 0.3292325), wk = 0.0030030 k( 215) = ( 0.5806452 0.0558726 0.3358171), wk = 0.0030030 k( 216) = ( 0.5846774 0.0442325 0.3424018), wk = 0.0030030 k( 217) = ( 0.5887097 0.0325924 0.3489864), wk = 0.0030030 k( 218) = ( 0.5927419 0.0209522 0.3555711), wk = 0.0030030 k( 219) = ( 0.5967742 0.0093121 0.3621557), wk = 0.0030030 k( 220) = ( 0.6008064 -0.0023280 0.3687404), wk = 0.0030030 k( 221) = ( 0.6048387 -0.0139682 0.3753250), wk = 0.0030030 k( 222) = ( 0.6088710 -0.0256083 0.3819097), wk = 0.0030030 k( 223) = ( 0.6129032 -0.0372484 0.3884943), wk = 0.0030030 k( 224) = ( 0.6169355 -0.0488885 0.3950790), wk = 0.0030030 k( 225) = ( 0.6209677 -0.0605287 0.4016636), wk = 0.0030030 k( 226) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0030030 k( 227) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0030030 k( 228) = ( 0.6180556 -0.0681594 0.4195885), wk = 0.0030030 k( 229) = ( 0.6111111 -0.0641500 0.4309288), wk = 0.0030030 k( 230) = ( 0.6041667 -0.0601407 0.4422690), wk = 0.0030030 k( 231) = ( 0.5972222 -0.0561313 0.4536092), wk = 0.0030030 k( 232) = ( 0.5902778 -0.0521219 0.4649494), wk = 0.0030030 k( 233) = ( 0.5833333 -0.0481125 0.4762897), wk = 0.0030030 k( 234) = ( 0.5763889 -0.0441031 0.4876299), wk = 0.0030030 k( 235) = ( 0.5694444 -0.0400938 0.4989701), wk = 0.0030030 k( 236) = ( 0.5625000 -0.0360844 0.5103104), wk = 0.0030030 k( 237) = ( 0.5555556 -0.0320750 0.5216506), wk = 0.0030030 k( 238) = ( 0.5486111 -0.0280656 0.5329908), wk = 0.0030030 k( 239) = ( 0.5416667 -0.0240563 0.5443310), wk = 0.0030030 k( 240) = ( 0.5347222 -0.0200469 0.5556713), wk = 0.0030030 k( 241) = ( 0.5277778 -0.0160375 0.5670115), wk = 0.0030030 k( 242) = ( 0.5208333 -0.0120281 0.5783518), wk = 0.0030030 k( 243) = ( 0.5138889 -0.0080188 0.5896920), wk = 0.0030030 k( 244) = ( 0.5069444 -0.0040094 0.6010322), wk = 0.0030030 k( 245) = ( 0.5000000 0.0000000 0.6123724), wk = 0.0030030 k( 246) = ( 0.5000000 0.0000000 0.6123724), wk = 0.0030030 k( 247) = ( 0.5000000 0.0080187 0.6010322), wk = 0.0030030 k( 248) = ( 0.5000000 0.0160375 0.5896920), wk = 0.0030030 k( 249) = ( 0.5000000 0.0240563 0.5783518), wk = 0.0030030 k( 250) = ( 0.5000000 0.0320750 0.5670115), wk = 0.0030030 k( 251) = ( 0.5000000 0.0400938 0.5556713), wk = 0.0030030 k( 252) = ( 0.5000000 0.0481125 0.5443310), wk = 0.0030030 k( 253) = ( 0.5000000 0.0561313 0.5329908), wk = 0.0030030 k( 254) = ( 0.5000000 0.0641500 0.5216506), wk = 0.0030030 k( 255) = ( 0.5000000 0.0721688 0.5103104), wk = 0.0030030 k( 256) = ( 0.5000000 0.0801875 0.4989701), wk = 0.0030030 k( 257) = ( 0.5000000 0.0882063 0.4876299), wk = 0.0030030 k( 258) = ( 0.5000000 0.0962250 0.4762897), wk = 0.0030030 k( 259) = ( 0.5000000 0.1042438 0.4649494), wk = 0.0030030 k( 260) = ( 0.5000000 0.1122625 0.4536092), wk = 0.0030030 k( 261) = ( 0.5000000 0.1202813 0.4422690), wk = 0.0030030 k( 262) = ( 0.5000000 0.1283001 0.4309288), wk = 0.0030030 k( 263) = ( 0.5000000 0.1363188 0.4195885), wk = 0.0030030 k( 264) = ( 0.5000000 0.1443376 0.4082483), wk = 0.0030030 k( 265) = ( 0.5000000 0.1523563 0.3969081), wk = 0.0030030 k( 266) = ( 0.5000000 0.1603751 0.3855678), wk = 0.0030030 k( 267) = ( 0.5000000 0.1683938 0.3742276), wk = 0.0030030 k( 268) = ( 0.5000000 0.1764126 0.3628874), wk = 0.0030030 k( 269) = ( 0.5000000 0.1844313 0.3515471), wk = 0.0030030 k( 270) = ( 0.5000000 0.1924501 0.3402069), wk = 0.0030030 k( 271) = ( 0.5000000 0.2004688 0.3288667), wk = 0.0030030 k( 272) = ( 0.5000000 0.2084876 0.3175264), wk = 0.0030030 k( 273) = ( 0.5000000 0.2165064 0.3061862), wk = 0.0030030 k( 274) = ( 0.5000000 0.2245251 0.2948460), wk = 0.0030030 k( 275) = ( 0.5000000 0.2325439 0.2835058), wk = 0.0030030 k( 276) = ( 0.5000000 0.2405626 0.2721655), wk = 0.0030030 k( 277) = ( 0.5000000 0.2485814 0.2608253), wk = 0.0030030 k( 278) = ( 0.5000000 0.2566001 0.2494851), wk = 0.0030030 k( 279) = ( 0.5000000 0.2646189 0.2381448), wk = 0.0030030 k( 280) = ( 0.5000000 0.2726376 0.2268046), wk = 0.0030030 k( 281) = ( 0.5000000 0.2806564 0.2154644), wk = 0.0030030 k( 282) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0030030 k( 283) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0030030 k( 284) = ( 0.4959677 0.2863471 0.2172935), wk = 0.0030030 k( 285) = ( 0.4919355 0.2840191 0.2304627), wk = 0.0030030 k( 286) = ( 0.4879032 0.2816911 0.2436320), wk = 0.0030030 k( 287) = ( 0.4838710 0.2793630 0.2568013), wk = 0.0030030 k( 288) = ( 0.4798387 0.2770350 0.2699706), wk = 0.0030030 k( 289) = ( 0.4758064 0.2747070 0.2831399), wk = 0.0030030 k( 290) = ( 0.4717742 0.2723790 0.2963092), wk = 0.0030030 k( 291) = ( 0.4677419 0.2700509 0.3094785), wk = 0.0030030 k( 292) = ( 0.4637097 0.2677229 0.3226478), wk = 0.0030030 k( 293) = ( 0.4596774 0.2653949 0.3358171), wk = 0.0030030 k( 294) = ( 0.4556452 0.2630669 0.3489864), wk = 0.0030030 k( 295) = ( 0.4516129 0.2607388 0.3621557), wk = 0.0030030 k( 296) = ( 0.4475807 0.2584108 0.3753250), wk = 0.0030030 k( 297) = ( 0.4435484 0.2560828 0.3884943), wk = 0.0030030 k( 298) = ( 0.4395161 0.2537548 0.4016636), wk = 0.0030030 k( 299) = ( 0.4354839 0.2514267 0.4148329), wk = 0.0030030 k( 300) = ( 0.4314516 0.2490987 0.4280022), wk = 0.0030030 k( 301) = ( 0.4274193 0.2467707 0.4411715), wk = 0.0030030 k( 302) = ( 0.4233871 0.2444427 0.4543408), wk = 0.0030030 k( 303) = ( 0.4193548 0.2421146 0.4675101), wk = 0.0030030 k( 304) = ( 0.4153226 0.2397866 0.4806794), wk = 0.0030030 k( 305) = ( 0.4112903 0.2374586 0.4938487), wk = 0.0030030 k( 306) = ( 0.4072581 0.2351306 0.5070180), wk = 0.0030030 k( 307) = ( 0.4032258 0.2328025 0.5201873), wk = 0.0030030 k( 308) = ( 0.3991936 0.2304745 0.5333566), wk = 0.0030030 k( 309) = ( 0.3951613 0.2281465 0.5465259), wk = 0.0030030 k( 310) = ( 0.3911290 0.2258185 0.5596952), wk = 0.0030030 k( 311) = ( 0.3870968 0.2234904 0.5728645), wk = 0.0030030 k( 312) = ( 0.3830645 0.2211624 0.5860338), wk = 0.0030030 k( 313) = ( 0.3790323 0.2188344 0.5992031), wk = 0.0030030 k( 314) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0030030 k( 315) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0030030 k( 316) = ( 0.6180556 -0.0841969 0.4082483), wk = 0.0030030 k( 317) = ( 0.6111111 -0.0962250 0.4082483), wk = 0.0030030 k( 318) = ( 0.6041667 -0.1082532 0.4082483), wk = 0.0030030 k( 319) = ( 0.5972222 -0.1202813 0.4082483), wk = 0.0030030 k( 320) = ( 0.5902778 -0.1323094 0.4082483), wk = 0.0030030 k( 321) = ( 0.5833333 -0.1443376 0.4082483), wk = 0.0030030 k( 322) = ( 0.5763889 -0.1563657 0.4082483), wk = 0.0030030 k( 323) = ( 0.5694444 -0.1683938 0.4082483), wk = 0.0030030 k( 324) = ( 0.5625000 -0.1804220 0.4082483), wk = 0.0030030 k( 325) = ( 0.5555556 -0.1924501 0.4082483), wk = 0.0030030 k( 326) = ( 0.5486111 -0.2044782 0.4082483), wk = 0.0030030 k( 327) = ( 0.5416667 -0.2165064 0.4082483), wk = 0.0030030 k( 328) = ( 0.5347222 -0.2285345 0.4082483), wk = 0.0030030 k( 329) = ( 0.5277778 -0.2405626 0.4082483), wk = 0.0030030 k( 330) = ( 0.5208333 -0.2525907 0.4082483), wk = 0.0030030 k( 331) = ( 0.5138889 -0.2646189 0.4082483), wk = 0.0030030 k( 332) = ( 0.5069444 -0.2766470 0.4082483), wk = 0.0030030 k( 333) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0030030 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030030 k( 2) = ( 0.0100000 -0.0000000 0.0100000), wk = 0.0030030 k( 3) = ( 0.0200000 -0.0000000 0.0200000), wk = 0.0030030 k( 4) = ( 0.0300000 -0.0000000 0.0300000), wk = 0.0030030 k( 5) = ( 0.0400000 -0.0000000 0.0400000), wk = 0.0030030 k( 6) = ( 0.0500000 -0.0000000 0.0500000), wk = 0.0030030 k( 7) = ( 0.0600000 -0.0000000 0.0600000), wk = 0.0030030 k( 8) = ( 0.0700000 -0.0000000 0.0700000), wk = 0.0030030 k( 9) = ( 0.0800000 -0.0000000 0.0800000), wk = 0.0030030 k( 10) = ( 0.0900000 -0.0000000 0.0900000), wk = 0.0030030 k( 11) = ( 0.1000000 -0.0000000 0.1000000), wk = 0.0030030 k( 12) = ( 0.1100000 0.0000000 0.1100000), wk = 0.0030030 k( 13) = ( 0.1200000 -0.0000000 0.1200000), wk = 0.0030030 k( 14) = ( 0.1300000 -0.0000000 0.1300000), wk = 0.0030030 k( 15) = ( 0.1400000 -0.0000000 0.1400000), wk = 0.0030030 k( 16) = ( 0.1500000 -0.0000000 0.1500000), wk = 0.0030030 k( 17) = ( 0.1600000 -0.0000000 0.1600000), wk = 0.0030030 k( 18) = ( 0.1700000 -0.0000000 0.1700000), wk = 0.0030030 k( 19) = ( 0.1800000 -0.0000000 0.1800000), wk = 0.0030030 k( 20) = ( 0.1900000 -0.0000000 0.1900000), wk = 0.0030030 k( 21) = ( 0.2000000 -0.0000000 0.2000000), wk = 0.0030030 k( 22) = ( 0.2100000 0.0000000 0.2100000), wk = 0.0030030 k( 23) = ( 0.2200000 0.0000000 0.2200000), wk = 0.0030030 k( 24) = ( 0.2300000 -0.0000000 0.2300000), wk = 0.0030030 k( 25) = ( 0.2400000 -0.0000000 0.2400000), wk = 0.0030030 k( 26) = ( 0.2500000 0.0000000 0.2500000), wk = 0.0030030 k( 27) = ( 0.2600000 -0.0000000 0.2600000), wk = 0.0030030 k( 28) = ( 0.2700000 -0.0000000 0.2700000), wk = 0.0030030 k( 29) = ( 0.2800000 -0.0000000 0.2800000), wk = 0.0030030 k( 30) = ( 0.2900000 -0.0000000 0.2900000), wk = 0.0030030 k( 31) = ( 0.3000000 -0.0000000 0.3000000), wk = 0.0030030 k( 32) = ( 0.3100000 -0.0000000 0.3100000), wk = 0.0030030 k( 33) = ( 0.3200000 -0.0000000 0.3200000), wk = 0.0030030 k( 34) = ( 0.3300000 -0.0000000 0.3300000), wk = 0.0030030 k( 35) = ( 0.3400000 -0.0000000 0.3400000), wk = 0.0030030 k( 36) = ( 0.3500000 -0.0000000 0.3500000), wk = 0.0030030 k( 37) = ( 0.3600000 -0.0000000 0.3600000), wk = 0.0030030 k( 38) = ( 0.3700000 -0.0000000 0.3700000), wk = 0.0030030 k( 39) = ( 0.3800000 -0.0000000 0.3800000), wk = 0.0030030 k( 40) = ( 0.3900000 -0.0000000 0.3900000), wk = 0.0030030 k( 41) = ( 0.4000000 -0.0000000 0.4000000), wk = 0.0030030 k( 42) = ( 0.4100000 -0.0000000 0.4100000), wk = 0.0030030 k( 43) = ( 0.4200000 0.0000000 0.4200000), wk = 0.0030030 k( 44) = ( 0.4300000 -0.0000000 0.4300000), wk = 0.0030030 k( 45) = ( 0.4400000 0.0000000 0.4400000), wk = 0.0030030 k( 46) = ( 0.4500000 0.0000000 0.4500000), wk = 0.0030030 k( 47) = ( 0.4600000 -0.0000000 0.4600000), wk = 0.0030030 k( 48) = ( 0.4700000 0.0000000 0.4700000), wk = 0.0030030 k( 49) = ( 0.4800000 -0.0000000 0.4800000), wk = 0.0030030 k( 50) = ( 0.4900000 -0.0000000 0.4900000), wk = 0.0030030 k( 51) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0030030 k( 52) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0030030 k( 53) = ( 0.5000000 0.0100000 0.5100000), wk = 0.0030030 k( 54) = ( 0.5000000 0.0200000 0.5200000), wk = 0.0030030 k( 55) = ( 0.5000000 0.0300000 0.5300000), wk = 0.0030030 k( 56) = ( 0.5000000 0.0400000 0.5400000), wk = 0.0030030 k( 57) = ( 0.5000000 0.0500000 0.5500000), wk = 0.0030030 k( 58) = ( 0.5000000 0.0600000 0.5600000), wk = 0.0030030 k( 59) = ( 0.5000000 0.0700000 0.5700000), wk = 0.0030030 k( 60) = ( 0.5000000 0.0800000 0.5800000), wk = 0.0030030 k( 61) = ( 0.5000000 0.0900000 0.5900000), wk = 0.0030030 k( 62) = ( 0.5000000 0.1000000 0.6000000), wk = 0.0030030 k( 63) = ( 0.5000000 0.1100000 0.6100000), wk = 0.0030030 k( 64) = ( 0.5000000 0.1200000 0.6200000), wk = 0.0030030 k( 65) = ( 0.5000000 0.1300000 0.6300000), wk = 0.0030030 k( 66) = ( 0.5000000 0.1400000 0.6400000), wk = 0.0030030 k( 67) = ( 0.5000000 0.1500000 0.6500000), wk = 0.0030030 k( 68) = ( 0.5000000 0.1600000 0.6600000), wk = 0.0030030 k( 69) = ( 0.5000000 0.1700000 0.6700000), wk = 0.0030030 k( 70) = ( 0.5000000 0.1800000 0.6800000), wk = 0.0030030 k( 71) = ( 0.5000000 0.1900000 0.6900000), wk = 0.0030030 k( 72) = ( 0.5000000 0.2000000 0.7000000), wk = 0.0030030 k( 73) = ( 0.5000000 0.2100000 0.7100000), wk = 0.0030030 k( 74) = ( 0.5000000 0.2200000 0.7200000), wk = 0.0030030 k( 75) = ( 0.5000000 0.2300000 0.7300000), wk = 0.0030030 k( 76) = ( 0.5000000 0.2400000 0.7400000), wk = 0.0030030 k( 77) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0030030 k( 78) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0030030 k( 79) = ( 0.4930556 0.2569444 0.7500000), wk = 0.0030030 k( 80) = ( 0.4861111 0.2638889 0.7500000), wk = 0.0030030 k( 81) = ( 0.4791667 0.2708333 0.7500000), wk = 0.0030030 k( 82) = ( 0.4722222 0.2777778 0.7500000), wk = 0.0030030 k( 83) = ( 0.4652778 0.2847222 0.7500000), wk = 0.0030030 k( 84) = ( 0.4583333 0.2916667 0.7500000), wk = 0.0030030 k( 85) = ( 0.4513889 0.2986111 0.7500000), wk = 0.0030030 k( 86) = ( 0.4444444 0.3055556 0.7500000), wk = 0.0030030 k( 87) = ( 0.4375000 0.3125000 0.7500000), wk = 0.0030030 k( 88) = ( 0.4305556 0.3194444 0.7500000), wk = 0.0030030 k( 89) = ( 0.4236111 0.3263889 0.7500000), wk = 0.0030030 k( 90) = ( 0.4166667 0.3333333 0.7500000), wk = 0.0030030 k( 91) = ( 0.4097222 0.3402778 0.7500000), wk = 0.0030030 k( 92) = ( 0.4027778 0.3472222 0.7500000), wk = 0.0030030 k( 93) = ( 0.3958333 0.3541667 0.7500000), wk = 0.0030030 k( 94) = ( 0.3888889 0.3611111 0.7500000), wk = 0.0030030 k( 95) = ( 0.3819444 0.3680556 0.7500000), wk = 0.0030030 k( 96) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0030030 k( 97) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0030030 k( 98) = ( 0.3679245 0.3679245 0.7358491), wk = 0.0030030 k( 99) = ( 0.3608491 0.3608491 0.7216981), wk = 0.0030030 k( 100) = ( 0.3537736 0.3537736 0.7075472), wk = 0.0030030 k( 101) = ( 0.3466981 0.3466981 0.6933962), wk = 0.0030030 k( 102) = ( 0.3396226 0.3396226 0.6792453), wk = 0.0030030 k( 103) = ( 0.3325472 0.3325472 0.6650943), wk = 0.0030030 k( 104) = ( 0.3254717 0.3254717 0.6509434), wk = 0.0030030 k( 105) = ( 0.3183962 0.3183962 0.6367924), wk = 0.0030030 k( 106) = ( 0.3113207 0.3113207 0.6226415), wk = 0.0030030 k( 107) = ( 0.3042453 0.3042453 0.6084906), wk = 0.0030030 k( 108) = ( 0.2971698 0.2971698 0.5943396), wk = 0.0030030 k( 109) = ( 0.2900943 0.2900943 0.5801887), wk = 0.0030030 k( 110) = ( 0.2830189 0.2830189 0.5660377), wk = 0.0030030 k( 111) = ( 0.2759434 0.2759434 0.5518868), wk = 0.0030030 k( 112) = ( 0.2688679 0.2688679 0.5377359), wk = 0.0030030 k( 113) = ( 0.2617925 0.2617925 0.5235849), wk = 0.0030030 k( 114) = ( 0.2547170 0.2547170 0.5094340), wk = 0.0030030 k( 115) = ( 0.2476415 0.2476415 0.4952830), wk = 0.0030030 k( 116) = ( 0.2405660 0.2405660 0.4811321), wk = 0.0030030 k( 117) = ( 0.2334906 0.2334906 0.4669811), wk = 0.0030030 k( 118) = ( 0.2264151 0.2264151 0.4528302), wk = 0.0030030 k( 119) = ( 0.2193396 0.2193396 0.4386792), wk = 0.0030030 k( 120) = ( 0.2122642 0.2122642 0.4245283), wk = 0.0030030 k( 121) = ( 0.2051887 0.2051887 0.4103774), wk = 0.0030030 k( 122) = ( 0.1981132 0.1981132 0.3962264), wk = 0.0030030 k( 123) = ( 0.1910377 0.1910377 0.3820755), wk = 0.0030030 k( 124) = ( 0.1839623 0.1839623 0.3679245), wk = 0.0030030 k( 125) = ( 0.1768868 0.1768868 0.3537736), wk = 0.0030030 k( 126) = ( 0.1698113 0.1698113 0.3396226), wk = 0.0030030 k( 127) = ( 0.1627358 0.1627358 0.3254717), wk = 0.0030030 k( 128) = ( 0.1556604 0.1556604 0.3113207), wk = 0.0030030 k( 129) = ( 0.1485849 0.1485849 0.2971698), wk = 0.0030030 k( 130) = ( 0.1415094 0.1415094 0.2830189), wk = 0.0030030 k( 131) = ( 0.1344340 0.1344340 0.2688679), wk = 0.0030030 k( 132) = ( 0.1273585 0.1273585 0.2547170), wk = 0.0030030 k( 133) = ( 0.1202830 0.1202830 0.2405660), wk = 0.0030030 k( 134) = ( 0.1132076 0.1132076 0.2264151), wk = 0.0030030 k( 135) = ( 0.1061321 0.1061321 0.2122642), wk = 0.0030030 k( 136) = ( 0.0990566 0.0990566 0.1981132), wk = 0.0030030 k( 137) = ( 0.0919811 0.0919811 0.1839623), wk = 0.0030030 k( 138) = ( 0.0849057 0.0849057 0.1698113), wk = 0.0030030 k( 139) = ( 0.0778302 0.0778302 0.1556604), wk = 0.0030030 k( 140) = ( 0.0707547 0.0707547 0.1415094), wk = 0.0030030 k( 141) = ( 0.0636793 0.0636793 0.1273585), wk = 0.0030030 k( 142) = ( 0.0566038 0.0566038 0.1132076), wk = 0.0030030 k( 143) = ( 0.0495283 0.0495283 0.0990566), wk = 0.0030030 k( 144) = ( 0.0424528 0.0424528 0.0849057), wk = 0.0030030 k( 145) = ( 0.0353774 0.0353774 0.0707547), wk = 0.0030030 k( 146) = ( 0.0283019 0.0283019 0.0566038), wk = 0.0030030 k( 147) = ( 0.0212264 0.0212264 0.0424528), wk = 0.0030030 k( 148) = ( 0.0141509 0.0141509 0.0283019), wk = 0.0030030 k( 149) = ( 0.0070755 0.0070755 0.0141509), wk = 0.0030030 k( 150) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030030 k( 151) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030030 k( 152) = ( 0.0116279 0.0116279 0.0116279), wk = 0.0030030 k( 153) = ( 0.0232558 0.0232558 0.0232558), wk = 0.0030030 k( 154) = ( 0.0348837 0.0348837 0.0348837), wk = 0.0030030 k( 155) = ( 0.0465116 0.0465116 0.0465116), wk = 0.0030030 k( 156) = ( 0.0581395 0.0581395 0.0581395), wk = 0.0030030 k( 157) = ( 0.0697674 0.0697674 0.0697674), wk = 0.0030030 k( 158) = ( 0.0813954 0.0813954 0.0813954), wk = 0.0030030 k( 159) = ( 0.0930233 0.0930233 0.0930233), wk = 0.0030030 k( 160) = ( 0.1046512 0.1046512 0.1046512), wk = 0.0030030 k( 161) = ( 0.1162791 0.1162791 0.1162791), wk = 0.0030030 k( 162) = ( 0.1279070 0.1279070 0.1279070), wk = 0.0030030 k( 163) = ( 0.1395349 0.1395349 0.1395349), wk = 0.0030030 k( 164) = ( 0.1511628 0.1511628 0.1511628), wk = 0.0030030 k( 165) = ( 0.1627907 0.1627907 0.1627907), wk = 0.0030030 k( 166) = ( 0.1744186 0.1744186 0.1744186), wk = 0.0030030 k( 167) = ( 0.1860465 0.1860465 0.1860465), wk = 0.0030030 k( 168) = ( 0.1976744 0.1976744 0.1976744), wk = 0.0030030 k( 169) = ( 0.2093023 0.2093023 0.2093023), wk = 0.0030030 k( 170) = ( 0.2209302 0.2209302 0.2209302), wk = 0.0030030 k( 171) = ( 0.2325581 0.2325581 0.2325581), wk = 0.0030030 k( 172) = ( 0.2441860 0.2441860 0.2441860), wk = 0.0030030 k( 173) = ( 0.2558140 0.2558140 0.2558140), wk = 0.0030030 k( 174) = ( 0.2674419 0.2674419 0.2674419), wk = 0.0030030 k( 175) = ( 0.2790698 0.2790698 0.2790698), wk = 0.0030030 k( 176) = ( 0.2906977 0.2906977 0.2906977), wk = 0.0030030 k( 177) = ( 0.3023256 0.3023256 0.3023256), wk = 0.0030030 k( 178) = ( 0.3139535 0.3139535 0.3139535), wk = 0.0030030 k( 179) = ( 0.3255814 0.3255814 0.3255814), wk = 0.0030030 k( 180) = ( 0.3372093 0.3372093 0.3372093), wk = 0.0030030 k( 181) = ( 0.3488372 0.3488372 0.3488372), wk = 0.0030030 k( 182) = ( 0.3604651 0.3604651 0.3604651), wk = 0.0030030 k( 183) = ( 0.3720930 0.3720930 0.3720930), wk = 0.0030030 k( 184) = ( 0.3837209 0.3837209 0.3837209), wk = 0.0030030 k( 185) = ( 0.3953488 0.3953488 0.3953488), wk = 0.0030030 k( 186) = ( 0.4069767 0.4069767 0.4069767), wk = 0.0030030 k( 187) = ( 0.4186047 0.4186047 0.4186046), wk = 0.0030030 k( 188) = ( 0.4302326 0.4302326 0.4302326), wk = 0.0030030 k( 189) = ( 0.4418605 0.4418605 0.4418605), wk = 0.0030030 k( 190) = ( 0.4534884 0.4534884 0.4534884), wk = 0.0030030 k( 191) = ( 0.4651163 0.4651163 0.4651163), wk = 0.0030030 k( 192) = ( 0.4767442 0.4767442 0.4767442), wk = 0.0030030 k( 193) = ( 0.4883721 0.4883721 0.4883721), wk = 0.0030030 k( 194) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0030030 k( 195) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0030030 k( 196) = ( 0.5040323 0.4919355 0.5040323), wk = 0.0030030 k( 197) = ( 0.5080645 0.4838710 0.5080645), wk = 0.0030030 k( 198) = ( 0.5120968 0.4758064 0.5120968), wk = 0.0030030 k( 199) = ( 0.5161290 0.4677419 0.5161290), wk = 0.0030030 k( 200) = ( 0.5201613 0.4596774 0.5201613), wk = 0.0030030 k( 201) = ( 0.5241936 0.4516129 0.5241936), wk = 0.0030030 k( 202) = ( 0.5282258 0.4435484 0.5282258), wk = 0.0030030 k( 203) = ( 0.5322581 0.4354839 0.5322581), wk = 0.0030030 k( 204) = ( 0.5362903 0.4274193 0.5362903), wk = 0.0030030 k( 205) = ( 0.5403226 0.4193548 0.5403226), wk = 0.0030030 k( 206) = ( 0.5443548 0.4112903 0.5443548), wk = 0.0030030 k( 207) = ( 0.5483871 0.4032258 0.5483871), wk = 0.0030030 k( 208) = ( 0.5524193 0.3951613 0.5524193), wk = 0.0030030 k( 209) = ( 0.5564516 0.3870968 0.5564516), wk = 0.0030030 k( 210) = ( 0.5604839 0.3790323 0.5604839), wk = 0.0030030 k( 211) = ( 0.5645161 0.3709677 0.5645161), wk = 0.0030030 k( 212) = ( 0.5685484 0.3629032 0.5685484), wk = 0.0030030 k( 213) = ( 0.5725807 0.3548387 0.5725807), wk = 0.0030030 k( 214) = ( 0.5766129 0.3467742 0.5766129), wk = 0.0030030 k( 215) = ( 0.5806452 0.3387097 0.5806452), wk = 0.0030030 k( 216) = ( 0.5846774 0.3306452 0.5846774), wk = 0.0030030 k( 217) = ( 0.5887097 0.3225807 0.5887097), wk = 0.0030030 k( 218) = ( 0.5927419 0.3145161 0.5927419), wk = 0.0030030 k( 219) = ( 0.5967742 0.3064516 0.5967742), wk = 0.0030030 k( 220) = ( 0.6008064 0.2983871 0.6008064), wk = 0.0030030 k( 221) = ( 0.6048387 0.2903226 0.6048387), wk = 0.0030030 k( 222) = ( 0.6088710 0.2822581 0.6088710), wk = 0.0030030 k( 223) = ( 0.6129032 0.2741935 0.6129032), wk = 0.0030030 k( 224) = ( 0.6169355 0.2661290 0.6169355), wk = 0.0030030 k( 225) = ( 0.6209677 0.2580645 0.6209677), wk = 0.0030030 k( 226) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0030030 k( 227) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0030030 k( 228) = ( 0.6180556 0.2500000 0.6319444), wk = 0.0030030 k( 229) = ( 0.6111111 0.2500000 0.6388889), wk = 0.0030030 k( 230) = ( 0.6041667 0.2500000 0.6458333), wk = 0.0030030 k( 231) = ( 0.5972222 0.2500000 0.6527778), wk = 0.0030030 k( 232) = ( 0.5902778 0.2500000 0.6597222), wk = 0.0030030 k( 233) = ( 0.5833333 0.2500000 0.6666667), wk = 0.0030030 k( 234) = ( 0.5763889 0.2500000 0.6736111), wk = 0.0030030 k( 235) = ( 0.5694444 0.2500000 0.6805556), wk = 0.0030030 k( 236) = ( 0.5625000 0.2500000 0.6875000), wk = 0.0030030 k( 237) = ( 0.5555556 0.2500000 0.6944444), wk = 0.0030030 k( 238) = ( 0.5486111 0.2500000 0.7013889), wk = 0.0030030 k( 239) = ( 0.5416667 0.2500000 0.7083333), wk = 0.0030030 k( 240) = ( 0.5347222 0.2500000 0.7152778), wk = 0.0030030 k( 241) = ( 0.5277778 0.2500000 0.7222222), wk = 0.0030030 k( 242) = ( 0.5208333 0.2500000 0.7291667), wk = 0.0030030 k( 243) = ( 0.5138889 0.2500000 0.7361111), wk = 0.0030030 k( 244) = ( 0.5069444 0.2500000 0.7430556), wk = 0.0030030 k( 245) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0030030 k( 246) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0030030 k( 247) = ( 0.5000000 0.2569444 0.7430556), wk = 0.0030030 k( 248) = ( 0.5000000 0.2638889 0.7361111), wk = 0.0030030 k( 249) = ( 0.5000000 0.2708333 0.7291667), wk = 0.0030030 k( 250) = ( 0.5000000 0.2777778 0.7222222), wk = 0.0030030 k( 251) = ( 0.5000000 0.2847222 0.7152778), wk = 0.0030030 k( 252) = ( 0.5000000 0.2916667 0.7083333), wk = 0.0030030 k( 253) = ( 0.5000000 0.2986111 0.7013889), wk = 0.0030030 k( 254) = ( 0.5000000 0.3055556 0.6944444), wk = 0.0030030 k( 255) = ( 0.5000000 0.3125000 0.6875000), wk = 0.0030030 k( 256) = ( 0.5000000 0.3194444 0.6805556), wk = 0.0030030 k( 257) = ( 0.5000000 0.3263889 0.6736111), wk = 0.0030030 k( 258) = ( 0.5000000 0.3333333 0.6666667), wk = 0.0030030 k( 259) = ( 0.5000000 0.3402778 0.6597222), wk = 0.0030030 k( 260) = ( 0.5000000 0.3472222 0.6527778), wk = 0.0030030 k( 261) = ( 0.5000000 0.3541667 0.6458333), wk = 0.0030030 k( 262) = ( 0.5000000 0.3611111 0.6388889), wk = 0.0030030 k( 263) = ( 0.5000000 0.3680556 0.6319444), wk = 0.0030030 k( 264) = ( 0.5000000 0.3750000 0.6250000), wk = 0.0030030 k( 265) = ( 0.5000000 0.3819444 0.6180556), wk = 0.0030030 k( 266) = ( 0.5000000 0.3888889 0.6111111), wk = 0.0030030 k( 267) = ( 0.5000000 0.3958333 0.6041667), wk = 0.0030030 k( 268) = ( 0.5000000 0.4027778 0.5972222), wk = 0.0030030 k( 269) = ( 0.5000000 0.4097222 0.5902778), wk = 0.0030030 k( 270) = ( 0.5000000 0.4166667 0.5833333), wk = 0.0030030 k( 271) = ( 0.5000000 0.4236111 0.5763889), wk = 0.0030030 k( 272) = ( 0.5000000 0.4305556 0.5694444), wk = 0.0030030 k( 273) = ( 0.5000000 0.4375000 0.5625000), wk = 0.0030030 k( 274) = ( 0.5000000 0.4444444 0.5555556), wk = 0.0030030 k( 275) = ( 0.5000000 0.4513889 0.5486111), wk = 0.0030030 k( 276) = ( 0.5000000 0.4583333 0.5416667), wk = 0.0030030 k( 277) = ( 0.5000000 0.4652778 0.5347222), wk = 0.0030030 k( 278) = ( 0.5000000 0.4722222 0.5277778), wk = 0.0030030 k( 279) = ( 0.5000000 0.4791667 0.5208333), wk = 0.0030030 k( 280) = ( 0.5000000 0.4861111 0.5138889), wk = 0.0030030 k( 281) = ( 0.5000000 0.4930556 0.5069444), wk = 0.0030030 k( 282) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0030030 k( 283) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0030030 k( 284) = ( 0.4959677 0.4959677 0.5080645), wk = 0.0030030 k( 285) = ( 0.4919355 0.4919355 0.5161290), wk = 0.0030030 k( 286) = ( 0.4879032 0.4879032 0.5241936), wk = 0.0030030 k( 287) = ( 0.4838710 0.4838710 0.5322581), wk = 0.0030030 k( 288) = ( 0.4798387 0.4798387 0.5403226), wk = 0.0030030 k( 289) = ( 0.4758064 0.4758064 0.5483871), wk = 0.0030030 k( 290) = ( 0.4717742 0.4717742 0.5564516), wk = 0.0030030 k( 291) = ( 0.4677419 0.4677419 0.5645161), wk = 0.0030030 k( 292) = ( 0.4637097 0.4637097 0.5725807), wk = 0.0030030 k( 293) = ( 0.4596774 0.4596774 0.5806452), wk = 0.0030030 k( 294) = ( 0.4556452 0.4556452 0.5887097), wk = 0.0030030 k( 295) = ( 0.4516129 0.4516129 0.5967742), wk = 0.0030030 k( 296) = ( 0.4475807 0.4475807 0.6048387), wk = 0.0030030 k( 297) = ( 0.4435484 0.4435484 0.6129032), wk = 0.0030030 k( 298) = ( 0.4395161 0.4395161 0.6209677), wk = 0.0030030 k( 299) = ( 0.4354839 0.4354839 0.6290323), wk = 0.0030030 k( 300) = ( 0.4314516 0.4314516 0.6370968), wk = 0.0030030 k( 301) = ( 0.4274193 0.4274193 0.6451613), wk = 0.0030030 k( 302) = ( 0.4233871 0.4233871 0.6532258), wk = 0.0030030 k( 303) = ( 0.4193548 0.4193548 0.6612903), wk = 0.0030030 k( 304) = ( 0.4153226 0.4153226 0.6693548), wk = 0.0030030 k( 305) = ( 0.4112903 0.4112903 0.6774193), wk = 0.0030030 k( 306) = ( 0.4072581 0.4072581 0.6854839), wk = 0.0030030 k( 307) = ( 0.4032258 0.4032258 0.6935484), wk = 0.0030030 k( 308) = ( 0.3991936 0.3991936 0.7016129), wk = 0.0030030 k( 309) = ( 0.3951613 0.3951613 0.7096774), wk = 0.0030030 k( 310) = ( 0.3911290 0.3911290 0.7177419), wk = 0.0030030 k( 311) = ( 0.3870968 0.3870968 0.7258064), wk = 0.0030030 k( 312) = ( 0.3830645 0.3830645 0.7338710), wk = 0.0030030 k( 313) = ( 0.3790323 0.3790323 0.7419355), wk = 0.0030030 k( 314) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0030030 k( 315) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0030030 k( 316) = ( 0.6180556 0.2361111 0.6180556), wk = 0.0030030 k( 317) = ( 0.6111111 0.2222222 0.6111111), wk = 0.0030030 k( 318) = ( 0.6041667 0.2083333 0.6041667), wk = 0.0030030 k( 319) = ( 0.5972222 0.1944444 0.5972222), wk = 0.0030030 k( 320) = ( 0.5902778 0.1805556 0.5902778), wk = 0.0030030 k( 321) = ( 0.5833333 0.1666667 0.5833333), wk = 0.0030030 k( 322) = ( 0.5763889 0.1527778 0.5763889), wk = 0.0030030 k( 323) = ( 0.5694444 0.1388889 0.5694444), wk = 0.0030030 k( 324) = ( 0.5625000 0.1250000 0.5625000), wk = 0.0030030 k( 325) = ( 0.5555556 0.1111111 0.5555556), wk = 0.0030030 k( 326) = ( 0.5486111 0.0972222 0.5486111), wk = 0.0030030 k( 327) = ( 0.5416667 0.0833333 0.5416667), wk = 0.0030030 k( 328) = ( 0.5347222 0.0694444 0.5347222), wk = 0.0030030 k( 329) = ( 0.5277778 0.0555556 0.5277778), wk = 0.0030030 k( 330) = ( 0.5208333 0.0416667 0.5208333), wk = 0.0030030 k( 331) = ( 0.5138889 0.0277778 0.5138889), wk = 0.0030030 k( 332) = ( 0.5069444 0.0138889 0.5069444), wk = 0.0030030 k( 333) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0030030 Dense grid: 117037 G-vectors FFT dimensions: ( 72, 72, 72) Smooth grid: 20395 G-vectors FFT dimensions: ( 40, 40, 40) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.10 Mb ( 148, 46) NL pseudopotentials 0.13 Mb ( 74, 118) Each V/rho on FFT grid 0.16 Mb ( 10368) Each G-vector array 0.02 Mb ( 3251) G-vector shells 0.01 Mb ( 708) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.42 Mb ( 148, 184) Each subspace H/S matrix 0.03 Mb ( 46, 46) Each matrix 0.17 Mb ( 118, 2, 46) The potential is recalculated from file : ./ZrCdCu2.save/charge-density.dat Starting wfc are 72 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 4.0 secs Computing kpt #: 3 total cpu time spent up to now is 4.3 secs Computing kpt #: 4 total cpu time spent up to now is 4.7 secs Computing kpt #: 5 total cpu time spent up to now is 5.1 secs Computing kpt #: 6 total cpu time spent up to now is 5.4 secs Computing kpt #: 7 total cpu time spent up to now is 5.8 secs Computing kpt #: 8 total cpu time spent up to now is 6.2 secs Computing kpt #: 9 total cpu time spent up to now is 6.5 secs Computing kpt #: 10 total cpu time spent up to now is 6.9 secs Computing kpt #: 11 total cpu time spent up to now is 7.3 secs Computing kpt #: 12 total cpu time spent up to now is 7.7 secs Computing kpt #: 13 total cpu time spent up to now is 8.1 secs Computing kpt #: 14 total cpu time spent up to now is 8.5 secs Computing kpt #: 15 total cpu time spent up to now is 8.9 secs Computing kpt #: 16 total cpu time spent up to now is 9.3 secs Computing kpt #: 17 total cpu time spent up to now is 9.7 secs Computing kpt #: 18 total cpu time spent up to now is 10.1 secs Computing kpt #: 19 total cpu time spent up to now is 10.5 secs Computing kpt #: 20 total cpu time spent up to now is 10.9 secs Computing kpt #: 21 total cpu time spent up to now is 11.4 secs Computing kpt #: 22 total cpu time spent up to now is 11.8 secs Computing kpt #: 23 total cpu time spent up to now is 12.2 secs Computing kpt #: 24 total cpu time spent up to now is 12.6 secs Computing kpt #: 25 total cpu time spent up to now is 13.0 secs Computing kpt #: 26 total cpu time spent up to now is 13.4 secs Computing kpt #: 27 total cpu time spent up to now is 13.7 secs Computing kpt #: 28 total cpu time spent up to now is 14.1 secs Computing kpt #: 29 total cpu time spent up to now is 14.4 secs Computing kpt #: 30 total cpu time spent up to now is 14.8 secs Computing kpt #: 31 total cpu time spent up to now is 15.2 secs Computing kpt #: 32 total cpu time spent up to now is 15.5 secs Computing kpt #: 33 total cpu time spent up to now is 15.9 secs Computing kpt #: 34 total cpu time spent up to now is 16.2 secs Computing kpt #: 35 total cpu time spent up to now is 16.6 secs Computing kpt #: 36 total cpu time spent up to now is 16.9 secs Computing kpt #: 37 total cpu time spent up to now is 17.3 secs Computing kpt #: 38 total cpu time spent up to now is 17.6 secs Computing kpt #: 39 total cpu time spent up to now is 18.0 secs Computing kpt #: 40 total cpu time spent up to now is 18.3 secs Computing kpt #: 41 total cpu time spent up to now is 18.6 secs Computing kpt #: 42 total cpu time spent up to now is 19.0 secs Computing kpt #: 43 total cpu time spent up to now is 19.3 secs Computing kpt #: 44 total cpu time spent up to now is 19.7 secs Computing kpt #: 45 total cpu time spent up to now is 20.0 secs Computing kpt #: 46 total cpu time spent up to now is 20.3 secs Computing kpt #: 47 total cpu time spent up to now is 20.6 secs Computing kpt #: 48 total cpu time spent up to now is 20.9 secs Computing kpt #: 49 total cpu time spent up to now is 21.2 secs Computing kpt #: 50 total cpu time spent up to now is 21.5 secs Computing kpt #: 51 total cpu time spent up to now is 21.8 secs Computing kpt #: 52 total cpu time spent up to now is 22.1 secs Computing kpt #: 53 total cpu time spent up to now is 22.4 secs Computing kpt #: 54 total cpu time spent up to now is 22.6 secs Computing kpt #: 55 total cpu time spent up to now is 22.9 secs Computing kpt #: 56 total cpu time spent up to now is 23.3 secs Computing kpt #: 57 total cpu time spent up to now is 23.6 secs Computing kpt #: 58 total cpu time spent up to now is 24.0 secs Computing kpt #: 59 total cpu time spent up to now is 24.3 secs Computing kpt #: 60 total cpu time spent up to now is 24.7 secs Computing kpt #: 61 total cpu time spent up to now is 25.0 secs Computing kpt #: 62 total cpu time spent up to now is 25.4 secs Computing kpt #: 63 total cpu time spent up to now is 25.7 secs Computing kpt #: 64 total cpu time spent up to now is 26.1 secs Computing kpt #: 65 total cpu time spent up to now is 26.4 secs Computing kpt #: 66 total cpu time spent up to now is 26.8 secs Computing kpt #: 67 total cpu time spent up to now is 27.1 secs Computing kpt #: 68 total cpu time spent up to now is 27.5 secs Computing kpt #: 69 total cpu time spent up to now is 27.8 secs Computing kpt #: 70 total cpu time spent up to now is 28.2 secs Computing kpt #: 71 total cpu time spent up to now is 28.5 secs Computing kpt #: 72 total cpu time spent up to now is 28.9 secs Computing kpt #: 73 total cpu time spent up to now is 29.2 secs Computing kpt #: 74 total cpu time spent up to now is 29.5 secs Computing kpt #: 75 total cpu time spent up to now is 29.9 secs Computing kpt #: 76 total cpu time spent up to now is 30.2 secs Computing kpt #: 77 total cpu time spent up to now is 30.5 secs Computing kpt #: 78 total cpu time spent up to now is 30.9 secs Computing kpt #: 79 total cpu time spent up to now is 31.2 secs Computing kpt #: 80 total cpu time spent up to now is 31.5 secs Computing kpt #: 81 total cpu time spent up to now is 31.9 secs Computing kpt #: 82 total cpu time spent up to now is 32.2 secs Computing kpt #: 83 total cpu time spent up to now is 32.5 secs Computing kpt #: 84 total cpu time spent up to now is 32.9 secs Computing kpt #: 85 total cpu time spent up to now is 33.2 secs Computing kpt #: 86 total cpu time spent up to now is 33.6 secs Computing kpt #: 87 total cpu time spent up to now is 34.0 secs Computing kpt #: 88 total cpu time spent up to now is 34.3 secs Computing kpt #: 89 total cpu time spent up to now is 34.7 secs Computing kpt #: 90 total cpu time spent up to now is 35.0 secs Computing kpt #: 91 total cpu time spent up to now is 35.4 secs Computing kpt #: 92 total cpu time spent up to now is 35.8 secs Computing kpt #: 93 total cpu time spent up to now is 36.1 secs Computing kpt #: 94 total cpu time spent up to now is 36.5 secs Computing kpt #: 95 total cpu time spent up to now is 36.9 secs Computing kpt #: 96 total cpu time spent up to now is 37.3 secs Computing kpt #: 97 total cpu time spent up to now is 37.7 secs Computing kpt #: 98 total cpu time spent up to now is 38.0 secs Computing kpt #: 99 total cpu time spent up to now is 38.4 secs Computing kpt #: 100 total cpu time spent up to now is 38.7 secs Computing kpt #: 101 total cpu time spent up to now is 39.1 secs Computing kpt #: 102 total cpu time spent up to now is 39.5 secs Computing kpt #: 103 total cpu time spent up to now is 39.9 secs Computing kpt #: 104 total cpu time spent up to now is 40.6 secs Computing kpt #: 105 total cpu time spent up to now is 40.9 secs Computing kpt #: 106 total cpu time spent up to now is 41.2 secs Computing kpt #: 107 total cpu time spent up to now is 41.6 secs Computing kpt #: 108 total cpu time spent up to now is 41.9 secs Computing kpt #: 109 total cpu time spent up to now is 42.2 secs Computing kpt #: 110 total cpu time spent up to now is 42.5 secs Computing kpt #: 111 total cpu time spent up to now is 42.9 secs Computing kpt #: 112 total cpu time spent up to now is 43.2 secs Computing kpt #: 113 total cpu time spent up to now is 43.5 secs Computing kpt #: 114 total cpu time spent up to now is 43.8 secs Computing kpt #: 115 total cpu time spent up to now is 44.2 secs Computing kpt #: 116 total cpu time spent up to now is 44.5 secs Computing kpt #: 117 total cpu time spent up to now is 44.8 secs Computing kpt #: 118 total cpu time spent up to now is 45.2 secs Computing kpt #: 119 total cpu time spent up to now is 45.5 secs Computing kpt #: 120 total cpu time spent up to now is 45.8 secs Computing kpt #: 121 total cpu time spent up to now is 46.2 secs Computing kpt #: 122 total cpu time spent up to now is 46.5 secs Computing kpt #: 123 total cpu time spent up to now is 46.8 secs Computing kpt #: 124 total cpu time spent up to now is 47.2 secs Computing kpt #: 125 total cpu time spent up to now is 47.5 secs Computing kpt #: 126 total cpu time spent up to now is 47.9 secs Computing kpt #: 127 total cpu time spent up to now is 48.3 secs Computing kpt #: 128 total cpu time spent up to now is 48.6 secs Computing kpt #: 129 total cpu time spent up to now is 49.0 secs Computing kpt #: 130 total cpu time spent up to now is 49.4 secs Computing kpt #: 131 total cpu time spent up to now is 49.8 secs Computing kpt #: 132 total cpu time spent up to now is 50.2 secs Computing kpt #: 133 total cpu time spent up to now is 50.6 secs Computing kpt #: 134 total cpu time spent up to now is 51.0 secs Computing kpt #: 135 total cpu time spent up to now is 51.4 secs Computing kpt #: 136 total cpu time spent up to now is 51.8 secs Computing kpt #: 137 total cpu time spent up to now is 52.2 secs Computing kpt #: 138 total cpu time spent up to now is 52.6 secs Computing kpt #: 139 total cpu time spent up to now is 53.0 secs Computing kpt #: 140 total cpu time spent up to now is 53.4 secs Computing kpt #: 141 total cpu time spent up to now is 53.7 secs Computing kpt #: 142 total cpu time spent up to now is 54.1 secs Computing kpt #: 143 total cpu time spent up to now is 54.5 secs Computing kpt #: 144 total cpu time spent up to now is 54.8 secs Computing kpt #: 145 total cpu time spent up to now is 55.2 secs Computing kpt #: 146 total cpu time spent up to now is 55.5 secs Computing kpt #: 147 total cpu time spent up to now is 55.9 secs Computing kpt #: 148 total cpu time spent up to now is 56.2 secs Computing kpt #: 149 total cpu time spent up to now is 56.6 secs Computing kpt #: 150 total cpu time spent up to now is 56.9 secs Computing kpt #: 151 total cpu time spent up to now is 57.3 secs Computing kpt #: 152 total cpu time spent up to now is 57.6 secs Computing kpt #: 153 total cpu time spent up to now is 58.0 secs Computing kpt #: 154 total cpu time spent up to now is 58.3 secs Computing kpt #: 155 total cpu time spent up to now is 58.7 secs Computing kpt #: 156 total cpu time spent up to now is 59.0 secs Computing kpt #: 157 total cpu time spent up to now is 59.4 secs Computing kpt #: 158 total cpu time spent up to now is 59.7 secs Computing kpt #: 159 total cpu time spent up to now is 60.1 secs Computing kpt #: 160 total cpu time spent up to now is 60.4 secs Computing kpt #: 161 total cpu time spent up to now is 60.8 secs Computing kpt #: 162 total cpu time spent up to now is 61.1 secs Computing kpt #: 163 total cpu time spent up to now is 61.5 secs Computing kpt #: 164 total cpu time spent up to now is 61.8 secs Computing kpt #: 165 total cpu time spent up to now is 62.1 secs Computing kpt #: 166 total cpu time spent up to now is 62.5 secs Computing kpt #: 167 total cpu time spent up to now is 62.9 secs Computing kpt #: 168 total cpu time spent up to now is 63.2 secs Computing kpt #: 169 total cpu time spent up to now is 63.6 secs Computing kpt #: 170 total cpu time spent up to now is 63.9 secs Computing kpt #: 171 total cpu time spent up to now is 64.3 secs Computing kpt #: 172 total cpu time spent up to now is 64.6 secs Computing kpt #: 173 total cpu time spent up to now is 65.0 secs Computing kpt #: 174 total cpu time spent up to now is 65.3 secs Computing kpt #: 175 total cpu time spent up to now is 65.7 secs Computing kpt #: 176 total cpu time spent up to now is 66.0 secs Computing kpt #: 177 total cpu time spent up to now is 66.4 secs Computing kpt #: 178 total cpu time spent up to now is 66.7 secs Computing kpt #: 179 total cpu time spent up to now is 67.0 secs Computing kpt #: 180 total cpu time spent up to now is 67.4 secs Computing kpt #: 181 total cpu time spent up to now is 67.7 secs Computing kpt #: 182 total cpu time spent up to now is 68.0 secs Computing kpt #: 183 total cpu time spent up to now is 68.4 secs Computing kpt #: 184 total cpu time spent up to now is 68.7 secs Computing kpt #: 185 total cpu time spent up to now is 69.1 secs Computing kpt #: 186 total cpu time spent up to now is 69.4 secs Computing kpt #: 187 total cpu time spent up to now is 69.7 secs Computing kpt #: 188 total cpu time spent up to now is 70.1 secs Computing kpt #: 189 total cpu time spent up to now is 70.4 secs Computing kpt #: 190 total cpu time spent up to now is 70.7 secs Computing kpt #: 191 total cpu time spent up to now is 71.0 secs Computing kpt #: 192 total cpu time spent up to now is 71.3 secs Computing kpt #: 193 total cpu time spent up to now is 71.7 secs Computing kpt #: 194 total cpu time spent up to now is 72.0 secs Computing kpt #: 195 total cpu time spent up to now is 72.3 secs Computing kpt #: 196 total cpu time spent up to now is 72.6 secs Computing kpt #: 197 total cpu time spent up to now is 73.0 secs Computing kpt #: 198 total cpu time spent up to now is 73.3 secs Computing kpt #: 199 total cpu time spent up to now is 73.6 secs Computing kpt #: 200 total cpu time spent up to now is 74.0 secs Computing kpt #: 201 total cpu time spent up to now is 74.3 secs Computing kpt #: 202 total cpu time spent up to now is 74.7 secs Computing kpt #: 203 total cpu time spent up to now is 75.0 secs Computing kpt #: 204 total cpu time spent up to now is 75.5 secs Computing kpt #: 205 total cpu time spent up to now is 75.9 secs Computing kpt #: 206 total cpu time spent up to now is 76.3 secs Computing kpt #: 207 total cpu time spent up to now is 76.6 secs Computing kpt #: 208 total cpu time spent up to now is 77.0 secs Computing kpt #: 209 total cpu time spent up to now is 77.4 secs Computing kpt #: 210 total cpu time spent up to now is 77.7 secs Computing kpt #: 211 total cpu time spent up to now is 78.0 secs Computing kpt #: 212 total cpu time spent up to now is 78.4 secs Computing kpt #: 213 total cpu time spent up to now is 78.8 secs Computing kpt #: 214 total cpu time spent up to now is 79.1 secs Computing kpt #: 215 total cpu time spent up to now is 79.5 secs Computing kpt #: 216 total cpu time spent up to now is 79.8 secs Computing kpt #: 217 total cpu time spent up to now is 80.1 secs Computing kpt #: 218 total cpu time spent up to now is 80.5 secs Computing kpt #: 219 total cpu time spent up to now is 80.8 secs Computing kpt #: 220 total cpu time spent up to now is 81.2 secs Computing kpt #: 221 total cpu time spent up to now is 81.5 secs Computing kpt #: 222 total cpu time spent up to now is 81.9 secs Computing kpt #: 223 total cpu time spent up to now is 82.2 secs Computing kpt #: 224 total cpu time spent up to now is 82.6 secs Computing kpt #: 225 total cpu time spent up to now is 83.0 secs Computing kpt #: 226 total cpu time spent up to now is 83.3 secs Computing kpt #: 227 total cpu time spent up to now is 83.7 secs Computing kpt #: 228 total cpu time spent up to now is 84.1 secs Computing kpt #: 229 total cpu time spent up to now is 84.5 secs Computing kpt #: 230 total cpu time spent up to now is 84.9 secs Computing kpt #: 231 total cpu time spent up to now is 85.2 secs Computing kpt #: 232 total cpu time spent up to now is 85.6 secs Computing kpt #: 233 total cpu time spent up to now is 86.0 secs Computing kpt #: 234 total cpu time spent up to now is 86.3 secs Computing kpt #: 235 total cpu time spent up to now is 86.7 secs Computing kpt #: 236 total cpu time spent up to now is 87.1 secs Computing kpt #: 237 total cpu time spent up to now is 87.4 secs Computing kpt #: 238 total cpu time spent up to now is 87.8 secs Computing kpt #: 239 total cpu time spent up to now is 88.1 secs Computing kpt #: 240 total cpu time spent up to now is 88.5 secs Computing kpt #: 241 total cpu time spent up to now is 88.8 secs Computing kpt #: 242 total cpu time spent up to now is 89.2 secs Computing kpt #: 243 total cpu time spent up to now is 89.5 secs Computing kpt #: 244 total cpu time spent up to now is 89.8 secs Computing kpt #: 245 total cpu time spent up to now is 90.2 secs Computing kpt #: 246 total cpu time spent up to now is 90.5 secs Computing kpt #: 247 total cpu time spent up to now is 90.8 secs Computing kpt #: 248 total cpu time spent up to now is 91.2 secs Computing kpt #: 249 total cpu time spent up to now is 91.5 secs Computing kpt #: 250 total cpu time spent up to now is 91.8 secs Computing kpt #: 251 total cpu time spent up to now is 92.2 secs Computing kpt #: 252 total cpu time spent up to now is 92.5 secs Computing kpt #: 253 total cpu time spent up to now is 92.8 secs Computing kpt #: 254 total cpu time spent up to now is 93.2 secs Computing kpt #: 255 total cpu time spent up to now is 93.5 secs Computing kpt #: 256 total cpu time spent up to now is 93.9 secs Computing kpt #: 257 total cpu time spent up to now is 94.2 secs Computing kpt #: 258 total cpu time spent up to now is 94.6 secs Computing kpt #: 259 total cpu time spent up to now is 94.9 secs Computing kpt #: 260 total cpu time spent up to now is 95.3 secs Computing kpt #: 261 total cpu time spent up to now is 95.6 secs Computing kpt #: 262 total cpu time spent up to now is 96.0 secs Computing kpt #: 263 total cpu time spent up to now is 96.3 secs Computing kpt #: 264 total cpu time spent up to now is 96.7 secs Computing kpt #: 265 total cpu time spent up to now is 97.0 secs Computing kpt #: 266 total cpu time spent up to now is 97.4 secs Computing kpt #: 267 total cpu time spent up to now is 97.7 secs Computing kpt #: 268 total cpu time spent up to now is 98.1 secs Computing kpt #: 269 total cpu time spent up to now is 98.5 secs Computing kpt #: 270 total cpu time spent up to now is 98.8 secs Computing kpt #: 271 total cpu time spent up to now is 99.2 secs Computing kpt #: 272 total cpu time spent up to now is 99.6 secs Computing kpt #: 273 total cpu time spent up to now is 100.0 secs Computing kpt #: 274 total cpu time spent up to now is 100.3 secs Computing kpt #: 275 total cpu time spent up to now is 100.7 secs Computing kpt #: 276 total cpu time spent up to now is 101.0 secs Computing kpt #: 277 total cpu time spent up to now is 101.4 secs Computing kpt #: 278 total cpu time spent up to now is 101.7 secs Computing kpt #: 279 total cpu time spent up to now is 102.0 secs Computing kpt #: 280 total cpu time spent up to now is 102.4 secs Computing kpt #: 281 total cpu time spent up to now is 102.7 secs Computing kpt #: 282 total cpu time spent up to now is 103.0 secs Computing kpt #: 283 total cpu time spent up to now is 103.3 secs Computing kpt #: 284 total cpu time spent up to now is 103.7 secs Computing kpt #: 285 total cpu time spent up to now is 104.0 secs Computing kpt #: 286 total cpu time spent up to now is 104.3 secs Computing kpt #: 287 total cpu time spent up to now is 104.7 secs Computing kpt #: 288 total cpu time spent up to now is 105.0 secs Computing kpt #: 289 total cpu time spent up to now is 105.3 secs Computing kpt #: 290 total cpu time spent up to now is 105.7 secs Computing kpt #: 291 total cpu time spent up to now is 106.0 secs Computing kpt #: 292 total cpu time spent up to now is 106.4 secs Computing kpt #: 293 total cpu time spent up to now is 106.8 secs Computing kpt #: 294 total cpu time spent up to now is 107.2 secs Computing kpt #: 295 total cpu time spent up to now is 107.5 secs Computing kpt #: 296 total cpu time spent up to now is 107.9 secs Computing kpt #: 297 total cpu time spent up to now is 108.2 secs Computing kpt #: 298 total cpu time spent up to now is 108.6 secs Computing kpt #: 299 total cpu time spent up to now is 108.9 secs Computing kpt #: 300 total cpu time spent up to now is 109.3 secs Computing kpt #: 301 total cpu time spent up to now is 109.6 secs Computing kpt #: 302 total cpu time spent up to now is 110.0 secs Computing kpt #: 303 total cpu time spent up to now is 110.7 secs Computing kpt #: 304 total cpu time spent up to now is 111.0 secs Computing kpt #: 305 total cpu time spent up to now is 111.4 secs Computing kpt #: 306 total cpu time spent up to now is 111.7 secs Computing kpt #: 307 total cpu time spent up to now is 112.1 secs Computing kpt #: 308 total cpu time spent up to now is 112.4 secs Computing kpt #: 309 total cpu time spent up to now is 112.7 secs Computing kpt #: 310 total cpu time spent up to now is 113.1 secs Computing kpt #: 311 total cpu time spent up to now is 113.4 secs Computing kpt #: 312 total cpu time spent up to now is 113.8 secs Computing kpt #: 313 total cpu time spent up to now is 114.1 secs Computing kpt #: 314 total cpu time spent up to now is 114.5 secs Computing kpt #: 315 total cpu time spent up to now is 114.9 secs Computing kpt #: 316 total cpu time spent up to now is 115.3 secs Computing kpt #: 317 total cpu time spent up to now is 115.7 secs Computing kpt #: 318 total cpu time spent up to now is 116.0 secs Computing kpt #: 319 total cpu time spent up to now is 116.4 secs Computing kpt #: 320 total cpu time spent up to now is 116.7 secs Computing kpt #: 321 total cpu time spent up to now is 117.1 secs Computing kpt #: 322 total cpu time spent up to now is 117.4 secs Computing kpt #: 323 total cpu time spent up to now is 117.8 secs Computing kpt #: 324 total cpu time spent up to now is 118.1 secs Computing kpt #: 325 total cpu time spent up to now is 118.4 secs Computing kpt #: 326 total cpu time spent up to now is 118.7 secs Computing kpt #: 327 total cpu time spent up to now is 119.0 secs Computing kpt #: 328 total cpu time spent up to now is 119.4 secs Computing kpt #: 329 total cpu time spent up to now is 119.7 secs Computing kpt #: 330 total cpu time spent up to now is 120.0 secs Computing kpt #: 331 total cpu time spent up to now is 120.3 secs Computing kpt #: 332 total cpu time spent up to now is 120.6 secs Computing kpt #: 333 total cpu time spent up to now is 120.9 secs ethr = 2.63E-08, avg # of iterations = 15.9 total cpu time spent up to now is 120.9 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2637 PWs) bands (ev): 2.7677 2.7677 2.7677 2.7677 3.2882 3.2882 3.4081 3.4081 3.4145 3.4145 3.4145 3.4145 8.2206 8.2206 8.2206 8.2206 8.2432 8.2432 8.2432 8.2432 8.3159 8.3159 8.8278 8.8278 8.8278 8.8278 8.9597 8.9597 9.3363 9.3363 9.3363 9.3363 11.4047 11.4047 11.4047 11.4047 11.4509 11.4509 13.7605 13.7605 13.7605 13.7605 15.5537 15.5537 16.2330 16.2330 k = 0.0100-0.0058 0.0082 ( 2637 PWs) bands (ev): 2.7677 2.7677 2.7678 2.7678 3.2900 3.2900 3.4081 3.4081 3.4146 3.4146 3.4147 3.4147 8.2138 8.2138 8.2209 8.2209 8.2433 8.2433 8.2488 8.2488 8.3167 8.3167 8.8277 8.8277 8.8280 8.8280 8.9597 8.9597 9.3354 9.3354 9.3363 9.3363 11.4029 11.4029 11.4031 11.4031 11.4493 11.4493 13.7540 13.7540 13.7604 13.7604 15.5589 15.5589 16.2352 16.2352 k = 0.0200-0.0115 0.0163 ( 2637 PWs) bands (ev): 2.7677 2.7677 2.7684 2.7684 3.2953 3.2953 3.4083 3.4083 3.4148 3.4148 3.4154 3.4154 8.2005 8.2005 8.2217 8.2217 8.2437 8.2437 8.2585 8.2585 8.3191 8.3191 8.8274 8.8274 8.8286 8.8286 8.9598 8.9598 9.3329 9.3329 9.3362 9.3362 11.3977 11.3977 11.3982 11.3982 11.4444 11.4444 13.7347 13.7347 13.7600 13.7600 15.5744 15.5744 16.2414 16.2414 k = 0.0300-0.0173 0.0245 ( 2637 PWs) bands (ev): 2.7678 2.7678 2.7693 2.7693 3.3041 3.3041 3.4085 3.4085 3.4153 3.4153 3.4166 3.4166 8.1850 8.1850 8.2229 8.2229 8.2444 8.2444 8.2680 8.2680 8.3230 8.3230 8.8268 8.8268 8.8295 8.8295 8.9600 8.9600 9.3286 9.3286 9.3361 9.3361 11.3891 11.3891 11.3902 11.3902 11.4364 11.4364 13.7029 13.7029 13.7594 13.7594 15.6001 15.6001 16.2515 16.2515 k = 0.0400-0.0231 0.0327 ( 2633 PWs) bands (ev): 2.7680 2.7680 2.7705 2.7705 3.3163 3.3163 3.4087 3.4087 3.4161 3.4161 3.4184 3.4184 8.1681 8.1681 8.2247 8.2247 8.2455 8.2455 8.2766 8.2766 8.3286 8.3286 8.8259 8.8259 8.8308 8.8308 8.9602 8.9602 9.3227 9.3227 9.3360 9.3360 11.3773 11.3773 11.3792 11.3792 11.4255 11.4255 13.6594 13.6594 13.7585 13.7585 15.6358 15.6358 16.2649 16.2649 k = 0.0500-0.0289 0.0408 ( 2633 PWs) bands (ev): 2.7681 2.7681 2.7721 2.7721 3.3318 3.3318 3.4087 3.4087 3.4173 3.4173 3.4207 3.4207 8.1499 8.1499 8.2269 8.2269 8.2468 8.2468 8.2840 8.2840 8.3355 8.3355 8.8247 8.8247 8.8324 8.8324 8.9605 8.9605 9.3153 9.3153 9.3358 9.3358 11.3624 11.3624 11.3653 11.3653 11.4118 11.4118 13.6051 13.6051 13.7574 13.7574 15.6811 15.6811 16.2809 16.2809 k = 0.0600-0.0346 0.0490 ( 2617 PWs) bands (ev): 2.7683 2.7683 2.7741 2.7741 3.3503 3.3503 3.4086 3.4086 3.4191 3.4191 3.4243 3.4243 8.1308 8.1308 8.2295 8.2295 8.2485 8.2485 8.2908 8.2908 8.3435 8.3435 8.8231 8.8231 8.8345 8.8345 8.9610 8.9610 9.3067 9.3067 9.3356 9.3356 11.3449 11.3449 11.3488 11.3488 11.3956 11.3956 13.5411 13.5411 13.7560 13.7560 15.7355 15.7355 16.2987 16.2987 k = 0.0700-0.0404 0.0572 ( 2609 PWs) bands (ev): 2.7685 2.7685 2.7763 2.7763 3.3708 3.3708 3.4083 3.4083 3.4212 3.4212 3.4295 3.4295 8.1105 8.1105 8.2325 8.2325 8.2506 8.2506 8.2971 8.2971 8.3523 8.3523 8.8210 8.8210 8.8367 8.8367 8.9614 8.9614 9.2966 9.2966 9.3353 9.3353 11.3248 11.3248 11.3298 11.3298 11.3771 11.3771 13.4685 13.4685 13.7544 13.7544 15.7988 15.7988 16.3175 16.3175 k = 0.0800-0.0462 0.0653 ( 2601 PWs) bands (ev): 2.7688 2.7688 2.7786 2.7786 3.3911 3.3911 3.4079 3.4079 3.4238 3.4238 3.4388 3.4388 8.0892 8.0892 8.2358 8.2358 8.2531 8.2531 8.3032 8.3032 8.3616 8.3616 8.8184 8.8184 8.8394 8.8394 8.9620 8.9620 9.2852 9.2852 9.3350 9.3350 11.3026 11.3026 11.3087 11.3087 11.3566 11.3566 13.3884 13.3884 13.7526 13.7526 15.8702 15.8702 16.3363 16.3363 k = 0.0900-0.0520 0.0735 ( 2601 PWs) bands (ev): 2.7690 2.7690 2.7812 2.7812 3.4068 3.4068 3.4073 3.4073 3.4266 3.4266 3.4565 3.4565 8.0668 8.0668 8.2392 8.2392 8.2561 8.2561 8.3092 8.3092 8.3713 8.3713 8.8150 8.8150 8.8423 8.8423 8.9626 8.9626 9.2728 9.2728 9.3347 9.3347 11.2787 11.2787 11.2858 11.2858 11.3344 11.3344 13.3020 13.3020 13.7505 13.7505 15.9493 15.9493 16.3544 16.3544 k = 0.1000-0.0577 0.0816 ( 2593 PWs) bands (ev): 2.7692 2.7692 2.7840 2.7840 3.4067 3.4067 3.4163 3.4163 3.4299 3.4299 3.4842 3.4842 8.0435 8.0435 8.2427 8.2427 8.2597 8.2597 8.3155 8.3155 8.3812 8.3812 8.8108 8.8108 8.8454 8.8454 8.9633 8.9633 9.2595 9.2595 9.3345 9.3345 11.2533 11.2533 11.2613 11.2613 11.3108 11.3108 13.2105 13.2105 13.7482 13.7482 16.0356 16.0356 16.3715 16.3715 k = 0.1100-0.0635 0.0898 ( 2589 PWs) bands (ev): 2.7694 2.7694 2.7869 2.7869 3.4060 3.4060 3.4223 3.4223 3.4334 3.4334 3.5190 3.5190 8.0191 8.0191 8.2462 8.2462 8.2639 8.2639 8.3217 8.3217 8.3911 8.3911 8.8058 8.8058 8.8489 8.8489 8.9642 8.9642 9.2456 9.2456 9.3341 9.3341 11.2270 11.2270 11.2356 11.2356 11.2862 11.2862 13.1147 13.1147 13.7457 13.7457 16.1284 16.1284 16.3872 16.3872 k = 0.1200-0.0693 0.0980 ( 2585 PWs) bands (ev): 2.7695 2.7695 2.7899 2.7899 3.4052 3.4052 3.4271 3.4271 3.4371 3.4371 3.5589 3.5589 7.9938 7.9938 8.2496 8.2496 8.2687 8.2687 8.3283 8.3283 8.4012 8.4012 8.7996 8.7996 8.8526 8.8526 8.9651 8.9651 9.2314 9.2314 9.3337 9.3337 11.1998 11.1998 11.2090 11.2090 11.2608 11.2608 13.0157 13.0157 13.7430 13.7430 16.2271 16.2271 16.4015 16.4015 k = 0.1300-0.0751 0.1061 ( 2585 PWs) bands (ev): 2.7696 2.7696 2.7931 2.7931 3.4043 3.4043 3.4312 3.4312 3.4412 3.4412 3.6029 3.6029 7.9675 7.9675 8.2530 8.2530 8.2741 8.2741 8.3350 8.3350 8.4112 8.4112 8.7922 8.7922 8.8565 8.8565 8.9661 8.9661 9.2171 9.2171 9.3333 9.3333 11.1722 11.1722 11.1818 11.1818 11.2348 11.2348 12.9141 12.9141 13.7400 13.7400 16.3313 16.3313 16.4144 16.4144 k = 0.1400-0.0808 0.1143 ( 2585 PWs) bands (ev): 2.7696 2.7696 2.7962 2.7962 3.4033 3.4033 3.4350 3.4350 3.4454 3.4454 3.6506 3.6506 7.9403 7.9403 8.2564 8.2564 8.2800 8.2800 8.3420 8.3420 8.4213 8.4213 8.7835 8.7835 8.8606 8.8606 8.9671 8.9671 9.2029 9.2029 9.3329 9.3329 11.1445 11.1445 11.1544 11.1544 11.2088 11.2088 12.8107 12.8107 13.7369 13.7369 16.4255 16.4255 16.4402 16.4402 k = 0.1500-0.0866 0.1225 ( 2593 PWs) bands (ev): 2.7695 2.7695 2.7994 2.7994 3.4023 3.4023 3.4387 3.4387 3.4498 3.4498 3.7019 3.7019 7.9123 7.9123 8.2598 8.2598 8.2862 8.2862 8.3492 8.3492 8.4314 8.4314 8.7732 8.7732 8.8648 8.8648 8.9682 8.9682 9.1891 9.1891 9.3324 9.3324 11.1168 11.1168 11.1271 11.1271 11.1829 11.1829 12.7060 12.7060 13.7336 13.7336 16.4334 16.4334 16.5531 16.5531 k = 0.1600-0.0924 0.1306 ( 2593 PWs) bands (ev): 2.7694 2.7694 2.8026 2.8026 3.4014 3.4014 3.4423 3.4423 3.4545 3.4545 3.7567 3.7567 7.8835 7.8835 8.2632 8.2632 8.2929 8.2929 8.3567 8.3567 8.4416 8.4416 8.7614 8.7614 8.8691 8.8691 8.9693 8.9693 9.1760 9.1760 9.3319 9.3319 11.0894 11.0894 11.1002 11.1002 11.1574 11.1574 12.6006 12.6006 13.7301 13.7301 16.4323 16.4323 16.5220 16.5220 k = 0.1700-0.0981 0.1388 ( 2593 PWs) bands (ev): 2.7692 2.7692 2.8059 2.8059 3.4004 3.4004 3.4457 3.4457 3.4593 3.4593 3.8147 3.8147 7.8541 7.8541 8.2667 8.2667 8.2998 8.2998 8.3644 8.3644 8.4517 8.4517 8.7480 8.7480 8.8734 8.8734 8.9703 8.9703 9.1637 9.1637 9.3314 9.3314 11.0625 11.0625 11.0740 11.0740 11.1327 11.1327 12.4949 12.4949 13.7264 13.7264 16.4070 16.4070 16.5024 16.5024 k = 0.1800-0.1039 0.1470 ( 2593 PWs) bands (ev): 2.7689 2.7689 2.8091 2.8091 3.3994 3.3994 3.4491 3.4491 3.4643 3.4643 3.8759 3.8759 7.8241 7.8241 8.2703 8.2703 8.3070 8.3070 8.3723 8.3723 8.4619 8.4619 8.7331 8.7331 8.8776 8.8776 8.9712 8.9712 9.1524 9.1524 9.3310 9.3310 11.0361 11.0361 11.0488 11.0488 11.1091 11.1091 12.3891 12.3891 13.7226 13.7226 16.3527 16.3527 16.4995 16.4995 k = 0.1900-0.1097 0.1551 ( 2593 PWs) bands (ev): 2.7686 2.7686 2.8122 2.8122 3.3985 3.3985 3.4524 3.4524 3.4694 3.4694 3.9403 3.9403 7.7936 7.7936 8.2739 8.2739 8.3143 8.3143 8.3804 8.3804 8.4720 8.4720 8.7166 8.7166 8.8818 8.8818 8.9719 8.9719 9.1423 9.1423 9.3305 9.3305 11.0104 11.0104 11.0250 11.0250 11.0869 11.0869 12.2835 12.2835 13.7186 13.7186 16.2805 16.2805 16.4879 16.4879 k = 0.2000-0.1155 0.1633 ( 2593 PWs) bands (ev): 2.7681 2.7681 2.8153 2.8153 3.3975 3.3975 3.4556 3.4556 3.4746 3.4746 4.0076 4.0076 7.7627 7.7627 8.2776 8.2776 8.3216 8.3216 8.3886 8.3886 8.4822 8.4822 8.6987 8.6987 8.8858 8.8858 8.9723 8.9723 9.1333 9.1333 9.3300 9.3300 10.9855 10.9855 11.0027 11.0027 11.0663 11.0663 12.1783 12.1783 13.7145 13.7145 16.1969 16.1969 16.3961 16.3961 k = 0.2100-0.1212 0.1715 ( 2589 PWs) bands (ev): 2.7675 2.7675 2.8183 2.8183 3.3966 3.3966 3.4587 3.4587 3.4798 3.4798 4.0778 4.0778 7.7315 7.7315 8.2813 8.2813 8.3288 8.3288 8.3970 8.3970 8.4923 8.4923 8.6798 8.6798 8.8896 8.8896 8.9725 8.9725 9.1255 9.1255 9.3295 9.3295 10.9614 10.9614 10.9822 10.9822 11.0477 11.0477 12.0735 12.0735 13.7103 13.7103 16.1049 16.1049 16.2969 16.2969 k = 0.2200-0.1270 0.1796 ( 2573 PWs) bands (ev): 2.7670 2.7670 2.8211 2.8211 3.3959 3.3959 3.4616 3.4616 3.4853 3.4853 4.1509 4.1509 7.7002 7.7002 8.2851 8.2851 8.3360 8.3360 8.4055 8.4055 8.5023 8.5023 8.6600 8.6600 8.8931 8.8931 8.9724 8.9724 9.1188 9.1188 9.3293 9.3293 10.9381 10.9381 10.9638 10.9638 11.0313 11.0313 11.9694 11.9694 13.7060 13.7060 16.0063 16.0063 16.1917 16.1917 k = 0.2300-0.1328 0.1878 ( 2573 PWs) bands (ev): 2.7662 2.7662 2.8238 2.8238 3.3951 3.3951 3.4643 3.4643 3.4906 3.4906 4.2266 4.2266 7.6687 7.6687 8.2890 8.2890 8.3427 8.3427 8.4142 8.4142 8.5122 8.5122 8.6395 8.6395 8.8961 8.8961 8.9718 8.9718 9.1131 9.1131 9.3289 9.3289 10.9157 10.9157 10.9478 10.9478 11.0173 11.0173 11.8659 11.8659 13.7016 13.7016 15.9026 15.9026 16.0818 16.0818 k = 0.2400-0.1386 0.1960 ( 2569 PWs) bands (ev): 2.7653 2.7653 2.8263 2.8263 3.3944 3.3944 3.4668 3.4668 3.4960 3.4960 4.3048 4.3048 7.6371 7.6371 8.2928 8.2928 8.3490 8.3490 8.4229 8.4229 8.5221 8.5221 8.6190 8.6190 8.8988 8.8988 8.9708 8.9708 9.1084 9.1084 9.3284 9.3284 10.8940 10.8940 10.9342 10.9342 11.0061 11.0061 11.7631 11.7631 13.6972 13.6972 15.7950 15.7950 15.9684 15.9684 k = 0.2500-0.1443 0.2041 ( 2557 PWs) bands (ev): 2.7643 2.7643 2.8288 2.8288 3.3937 3.3937 3.4692 3.4692 3.5014 3.5014 4.3855 4.3855 7.6057 7.6057 8.2966 8.2966 8.3546 8.3546 8.4318 8.4318 8.5317 8.5317 8.5988 8.5988 8.9009 8.9009 8.9693 8.9693 9.1044 9.1044 9.3280 9.3280 10.8733 10.8733 10.9232 10.9232 10.9977 10.9977 11.6609 11.6609 13.6926 13.6926 15.6846 15.6846 15.8523 15.8523 k = 0.2600-0.1501 0.2123 ( 2566 PWs) bands (ev): 2.7631 2.7631 2.8307 2.8307 3.3930 3.3930 3.4711 3.4711 3.5066 3.5066 4.4684 4.4684 7.5745 7.5745 8.3003 8.3003 8.3588 8.3588 8.4407 8.4407 8.5411 8.5411 8.5793 8.5793 8.9023 8.9023 8.9673 8.9673 9.1010 9.1010 9.3275 9.3275 10.8533 10.8533 10.9151 10.9151 10.9923 10.9923 11.5593 11.5593 13.6881 13.6881 15.5723 15.5723 15.7345 15.7345 k = 0.2700-0.1559 0.2205 ( 2566 PWs) bands (ev): 2.7618 2.7618 2.8326 2.8326 3.3924 3.3924 3.4729 3.4729 3.5119 3.5119 4.5535 4.5535 7.5435 7.5435 8.3039 8.3039 8.3616 8.3616 8.4497 8.4497 8.5503 8.5503 8.5615 8.5615 8.9031 8.9031 8.9647 8.9647 9.0982 9.0982 9.3271 9.3271 10.8342 10.8342 10.9099 10.9099 10.9902 10.9902 11.4584 11.4584 13.6835 13.6835 15.4587 15.4587 15.6156 15.6156 k = 0.2800-0.1617 0.2286 ( 2570 PWs) bands (ev): 2.7604 2.7604 2.8342 2.8342 3.3918 3.3918 3.4745 3.4745 3.5170 3.5170 4.6405 4.6405 7.5129 7.5129 8.3073 8.3073 8.3624 8.3624 8.4587 8.4587 8.5460 8.5460 8.5592 8.5592 8.9032 8.9032 8.9615 8.9615 9.0959 9.0959 9.3267 9.3267 10.8159 10.8159 10.9077 10.9077 10.9912 10.9912 11.3581 11.3581 13.6789 13.6789 15.3446 15.3446 15.4962 15.4962 k = 0.2900-0.1674 0.2368 ( 2570 PWs) bands (ev): 2.7590 2.7590 2.8357 2.8357 3.3913 3.3913 3.4758 3.4758 3.5220 3.5220 4.7292 4.7292 7.4827 7.4827 8.3103 8.3103 8.3607 8.3607 8.4679 8.4679 8.5335 8.5335 8.5677 8.5677 8.9024 8.9024 8.9578 8.9578 9.0939 9.0939 9.3263 9.3263 10.7984 10.7984 10.9085 10.9085 10.9956 10.9956 11.2585 11.2585 13.6743 13.6743 15.2306 15.2306 15.3769 15.3769 k = 0.3000-0.1732 0.2449 ( 2562 PWs) bands (ev): 2.7575 2.7575 2.8369 2.8369 3.3910 3.3910 3.4771 3.4771 3.5270 3.5270 4.8196 4.8196 7.4531 7.4531 8.3125 8.3125 8.3567 8.3567 8.4772 8.4772 8.5247 8.5247 8.5759 8.5759 8.9009 8.9009 8.9534 8.9534 9.0922 9.0922 9.3260 9.3260 10.7818 10.7818 10.9122 10.9122 11.0032 11.0032 11.1596 11.1596 13.6697 13.6697 15.1171 15.1171 15.2582 15.2582 k = 0.3100-0.1790 0.2531 ( 2578 PWs) bands (ev): 2.7559 2.7559 2.8377 2.8377 3.3906 3.3906 3.4779 3.4779 3.5317 3.5317 4.9113 4.9113 7.4239 7.4239 8.3131 8.3131 8.3507 8.3507 8.4864 8.4864 8.5195 8.5195 8.5836 8.5836 8.8984 8.8984 8.9483 8.9483 9.0906 9.0906 9.3257 9.3257 10.7660 10.7660 10.9186 10.9186 11.0140 11.0140 11.0619 11.0619 13.6652 13.6652 15.0046 15.0046 15.1405 15.1405 k = 0.3200-0.1848 0.2613 ( 2578 PWs) bands (ev): 2.7543 2.7543 2.8385 2.8385 3.3903 3.3903 3.4786 3.4786 3.5363 3.5363 5.0041 5.0041 7.3954 7.3954 8.3105 8.3105 8.3453 8.3453 8.4959 8.4959 8.5179 8.5179 8.5908 8.5908 8.8952 8.8952 8.9427 8.9427 9.0893 9.0893 9.3254 9.3254 10.7510 10.7510 10.9243 10.9243 10.9686 10.9686 11.0280 11.0280 13.6607 13.6607 14.8936 14.8936 15.0242 15.0242 k = 0.3300-0.1905 0.2694 ( 2586 PWs) bands (ev): 2.7525 2.7525 2.8390 2.8390 3.3899 3.3899 3.4791 3.4791 3.5407 3.5407 5.0977 5.0977 7.3675 7.3675 8.3030 8.3030 8.3424 8.3424 8.5054 8.5054 8.5191 8.5191 8.5974 8.5974 8.8911 8.8911 8.9365 8.9365 9.0880 9.0880 9.3251 9.3251 10.7369 10.7369 10.8633 10.8633 10.9459 10.9459 11.0451 11.0451 13.6563 13.6563 14.7844 14.7844 14.9097 14.9097 k = 0.3400-0.1963 0.2776 ( 2578 PWs) bands (ev): 2.7508 2.7508 2.8394 2.8394 3.3898 3.3898 3.4796 3.4796 3.5451 3.5451 5.1919 5.1919 7.3401 7.3401 8.2913 8.2913 8.3426 8.3426 8.5151 8.5151 8.5225 8.5225 8.6035 8.6035 8.8862 8.8862 8.9297 8.9297 9.0871 9.0871 9.3248 9.3248 10.7235 10.7235 10.7695 10.7695 10.9599 10.9599 11.0650 11.0650 13.6521 13.6521 14.6774 14.6774 14.7975 14.7975 k = 0.3500-0.2021 0.2858 ( 2578 PWs) bands (ev): 2.7491 2.7491 2.8395 2.8395 3.3897 3.3897 3.4798 3.4798 3.5492 3.5492 5.2863 5.2863 7.3134 7.3134 8.2772 8.2772 8.3441 8.3441 8.5249 8.5249 8.5276 8.5276 8.6089 8.6089 8.8805 8.8805 8.9223 8.9223 9.0862 9.0862 9.3246 9.3246 10.6761 10.6761 10.7110 10.7110 10.9776 10.9776 11.0875 11.0875 13.6479 13.6479 14.5731 14.5731 14.6879 14.6879 k = 0.3600-0.2078 0.2939 ( 2570 PWs) bands (ev): 2.7474 2.7474 2.8396 2.8396 3.3896 3.3896 3.4801 3.4801 3.5531 3.5531 5.3806 5.3806 7.2873 7.2873 8.2622 8.2622 8.3464 8.3464 8.5338 8.5338 8.5348 8.5348 8.6137 8.6137 8.8739 8.8739 8.9143 8.9143 9.0855 9.0855 9.3245 9.3245 10.5843 10.5843 10.6993 10.6993 10.9977 10.9977 11.1124 11.1124 13.6438 13.6438 14.4717 14.4717 14.5814 14.5814 k = 0.3700-0.2136 0.3021 ( 2562 PWs) bands (ev): 2.7458 2.7458 2.8395 2.8395 3.3896 3.3896 3.4801 3.4801 3.5568 3.5568 5.4744 5.4744 7.2616 7.2616 8.2470 8.2470 8.3490 8.3490 8.5409 8.5409 8.5449 8.5449 8.6178 8.6178 8.8666 8.8666 8.9060 8.9060 9.0849 9.0849 9.3245 9.3245 10.4945 10.4945 10.6884 10.6884 11.0199 11.0199 11.1393 11.1393 13.6399 13.6399 14.3738 14.3738 14.4783 14.4783 k = 0.3800-0.2194 0.3103 ( 2562 PWs) bands (ev): 2.7442 2.7442 2.8392 2.8392 3.3896 3.3896 3.4800 3.4800 3.5602 3.5602 5.5672 5.5672 7.2364 7.2364 8.2320 8.2320 8.3516 8.3516 8.5485 8.5485 8.5551 8.5551 8.6211 8.6211 8.8584 8.8584 8.8972 8.8972 9.0844 9.0844 9.3245 9.3245 10.4075 10.4075 10.6783 10.6783 11.0436 11.0436 11.1679 11.1679 13.6362 13.6362 14.2798 14.2798 14.3792 14.3792 k = 0.3900-0.2252 0.3184 ( 2554 PWs) bands (ev): 2.7427 2.7427 2.8389 2.8389 3.3896 3.3896 3.4799 3.4799 3.5635 3.5635 5.6584 5.6584 7.2116 7.2116 8.2176 8.2176 8.3542 8.3542 8.5564 8.5564 8.5654 8.5654 8.6237 8.6237 8.8495 8.8495 8.8882 8.8882 9.0841 9.0841 9.3245 9.3245 10.3236 10.3236 10.6690 10.6690 11.0686 11.0686 11.1976 11.1976 13.6325 13.6325 14.1901 14.1901 14.2845 14.2845 k = 0.4000-0.2309 0.3266 ( 2554 PWs) bands (ev): 2.7412 2.7412 2.8384 2.8384 3.3897 3.3897 3.4796 3.4796 3.5664 3.5664 5.7476 5.7476 7.1872 7.1872 8.2041 8.2041 8.3567 8.3567 8.5646 8.5646 8.5759 8.5759 8.6256 8.6256 8.8399 8.8399 8.8789 8.8789 9.0838 9.0838 9.3246 9.3246 10.2437 10.2437 10.6605 10.6605 11.0943 11.0943 11.2282 11.2282 13.6290 13.6290 14.1052 14.1052 14.1949 14.1949 k = 0.4100-0.2367 0.3348 ( 2558 PWs) bands (ev): 2.7398 2.7398 2.8378 2.8378 3.3897 3.3897 3.4793 3.4793 3.5690 3.5690 5.8339 5.8339 7.1630 7.1630 8.1915 8.1915 8.3590 8.3590 8.5728 8.5728 8.5865 8.5865 8.6268 8.6268 8.8295 8.8295 8.8696 8.8696 9.0836 9.0836 9.3248 9.3248 10.1682 10.1682 10.6529 10.6529 11.1203 11.1203 11.2589 11.2589 13.6257 13.6257 14.0257 14.0257 14.1108 14.1108 k = 0.4200-0.2425 0.3429 ( 2550 PWs) bands (ev): 2.7385 2.7385 2.8373 2.8373 3.3898 3.3898 3.4791 3.4791 3.5715 3.5715 5.9168 5.9168 7.1393 7.1393 8.1800 8.1800 8.3613 8.3613 8.5810 8.5810 8.5972 8.5972 8.6276 8.6276 8.8185 8.8185 8.8605 8.8605 9.0834 9.0834 9.3251 9.3251 10.0980 10.0980 10.6460 10.6460 11.1459 11.1459 11.2892 11.2892 13.6224 13.6224 13.9522 13.9522 14.0329 14.0329 k = 0.4300-0.2483 0.3511 ( 2554 PWs) bands (ev): 2.7373 2.7373 2.8366 2.8366 3.3898 3.3898 3.4787 3.4787 3.5736 3.5736 5.9952 5.9952 7.1159 7.1159 8.1696 8.1696 8.3632 8.3632 8.5889 8.5889 8.6076 8.6076 8.6283 8.6283 8.8068 8.8068 8.8516 8.8516 9.0833 9.0833 9.3254 9.3254 10.0339 10.0339 10.6399 10.6399 11.1706 11.1706 11.3184 11.3184 13.6192 13.6192 13.8851 13.8851 13.9620 13.9620 k = 0.4400-0.2540 0.3593 ( 2550 PWs) bands (ev): 2.7362 2.7362 2.8361 2.8361 3.3899 3.3899 3.4784 3.4784 3.5755 3.5755 6.0680 6.0680 7.0931 7.0931 8.1606 8.1606 8.3649 8.3649 8.5964 8.5964 8.6163 8.6163 8.6303 8.6303 8.7947 8.7947 8.8431 8.8431 9.0833 9.0833 9.3258 9.3258 9.9766 9.9766 10.6346 10.6346 11.1938 11.1938 11.3458 11.3458 13.6159 13.6159 13.8253 13.8253 13.8989 13.8989 k = 0.4500-0.2598 0.3674 ( 2550 PWs) bands (ev): 2.7353 2.7353 2.8356 2.8356 3.3900 3.3900 3.4782 3.4782 3.5771 3.5771 6.1342 6.1342 7.0713 7.0713 8.1529 8.1529 8.3664 8.3664 8.6034 8.6034 8.6204 8.6204 8.6368 8.6368 8.7821 8.7821 8.8353 8.8353 9.0832 9.0832 9.3262 9.3262 9.9267 9.9267 10.6301 10.6301 11.2148 11.2148 11.3708 11.3708 13.6126 13.6126 13.7733 13.7733 13.8444 13.8444 k = 0.4600-0.2656 0.3756 ( 2550 PWs) bands (ev): 2.7346 2.7346 2.8352 2.8352 3.3900 3.3900 3.4779 3.4779 3.5784 3.5784 6.1920 6.1920 7.0511 7.0511 8.1465 8.1465 8.3676 8.3676 8.6096 8.6096 8.6209 8.6209 8.6467 8.6467 8.7695 8.7695 8.8284 8.8284 9.0832 9.0832 9.3267 9.3267 9.8849 9.8849 10.6265 10.6265 11.2330 11.2330 11.3924 11.3924 13.6092 13.6092 13.7296 13.7296 13.7992 13.7992 k = 0.4700-0.2714 0.3838 ( 2550 PWs) bands (ev): 2.7340 2.7340 2.8348 2.8348 3.3901 3.3901 3.4777 3.4777 3.5794 3.5794 6.2400 6.2400 7.0334 7.0334 8.1415 8.1415 8.3686 8.3686 8.6147 8.6147 8.6204 8.6204 8.6575 8.6575 8.7571 8.7571 8.8226 8.8226 9.0832 9.0832 9.3271 9.3271 9.8517 9.8517 10.6236 10.6236 11.2479 11.2479 11.4101 11.4101 13.6057 13.6057 13.6950 13.6950 13.7641 13.7641 k = 0.4800-0.2771 0.3919 ( 2554 PWs) bands (ev): 2.7335 2.7335 2.8345 2.8345 3.3901 3.3901 3.4775 3.4775 3.5800 3.5800 6.2762 6.2762 7.0194 7.0194 8.1380 8.1380 8.3692 8.3692 8.6186 8.6186 8.6197 8.6197 8.6675 8.6675 8.7457 8.7457 8.8181 8.8181 9.0832 9.0832 9.3277 9.3277 9.8276 9.8276 10.6217 10.6217 11.2589 11.2589 11.4233 11.4233 13.6024 13.6024 13.6699 13.6699 13.7393 13.7393 k = 0.4900-0.2829 0.4001 ( 2554 PWs) bands (ev): 2.7333 2.7333 2.8344 2.8344 3.3901 3.3901 3.4774 3.4774 3.5804 3.5804 6.2988 6.2988 7.0103 7.0103 8.1358 8.1358 8.3697 8.3697 8.6192 8.6192 8.6210 8.6210 8.6756 8.6756 8.7369 8.7369 8.8154 8.8154 9.0832 9.0832 9.3279 9.3279 9.8131 9.8131 10.6204 10.6204 11.2657 11.2657 11.4314 11.4314 13.5999 13.5999 13.6546 13.6546 13.7247 13.7247 k = 0.5000-0.2887 0.4082 ( 2538 PWs) bands (ev): 2.7333 2.7333 2.8344 2.8344 3.3903 3.3903 3.4775 3.4775 3.5808 3.5808 6.3065 6.3065 7.0072 7.0072 8.1351 8.1351 8.3698 8.3698 8.6192 8.6192 8.6221 8.6221 8.6790 8.6790 8.7335 8.7335 8.8145 8.8145 9.0832 9.0832 9.3281 9.3281 9.8082 9.8082 10.6201 10.6201 11.2680 11.2680 11.4341 11.4341 13.5990 13.5990 13.6496 13.6496 13.7199 13.7199 k = 0.5000-0.2887 0.4082 ( 2538 PWs) bands (ev): 2.7333 2.7333 2.8344 2.8344 3.3903 3.3903 3.4775 3.4775 3.5808 3.5808 6.3065 6.3065 7.0072 7.0072 8.1351 8.1351 8.3698 8.3698 8.6192 8.6192 8.6221 8.6221 8.6790 8.6790 8.7335 8.7335 8.8145 8.8145 9.0832 9.0832 9.3281 9.3281 9.8082 9.8082 10.6201 10.6201 11.2680 11.2680 11.4341 11.4341 13.5990 13.5990 13.6496 13.6496 13.7199 13.7199 k = 0.5000-0.2771 0.4164 ( 2550 PWs) bands (ev): 2.7334 2.7334 2.8344 2.8344 3.3903 3.3903 3.4775 3.4775 3.5805 3.5805 6.3073 6.3073 7.0081 7.0081 8.1336 8.1336 8.3698 8.3698 8.6170 8.6170 8.6217 8.6217 8.6809 8.6809 8.7332 8.7332 8.8165 8.8165 9.0833 9.0833 9.3267 9.3267 9.8083 9.8083 10.6110 10.6110 11.2697 11.2697 11.4356 11.4356 13.6025 13.6025 13.6493 13.6493 13.7203 13.7203 k = 0.5000-0.2656 0.4246 ( 2552 PWs) bands (ev): 2.7341 2.7341 2.8344 2.8344 3.3907 3.3907 3.4775 3.4775 3.5802 3.5802 6.3094 6.3094 7.0111 7.0111 8.1293 8.1293 8.3697 8.3697 8.6113 8.6113 8.6213 8.6213 8.6859 8.6859 8.7329 8.7329 8.8224 8.8224 9.0836 9.0836 9.3228 9.3228 9.8087 9.8087 10.5855 10.5855 11.2678 11.2678 11.4455 11.4455 13.6122 13.6122 13.6485 13.6485 13.7215 13.7215 k = 0.5000-0.2540 0.4327 ( 2548 PWs) bands (ev): 2.7352 2.7352 2.8346 2.8346 3.3914 3.3914 3.4776 3.4776 3.5797 3.5797 6.3130 6.3130 7.0160 7.0160 8.1221 8.1221 8.3695 8.3695 8.6033 8.6033 8.6208 8.6208 8.6920 8.6920 8.7336 8.7336 8.8315 8.8315 9.0841 9.0841 9.3166 9.3166 9.8094 9.8094 10.5476 10.5476 11.2490 11.2490 11.4745 11.4745 13.6264 13.6264 13.6473 13.6473 13.7242 13.7242 k = 0.5000-0.2425 0.4409 ( 2540 PWs) bands (ev): 2.7369 2.7369 2.8348 2.8348 3.3924 3.3924 3.4777 3.4777 3.5790 3.5790 6.3180 6.3180 7.0228 7.0228 8.1122 8.1122 8.3692 8.3692 8.5941 8.5941 8.6205 8.6205 8.6974 8.6974 8.7365 8.7365 8.8431 8.8431 9.0848 9.0848 9.3078 9.3078 9.8103 9.8103 10.5019 10.5019 11.2091 11.2091 11.5237 11.5237 13.6399 13.6399 13.6477 13.6477 13.7296 13.7296 k = 0.5000-0.2309 0.4491 ( 2540 PWs) bands (ev): 2.7388 2.7388 2.8350 2.8350 3.3935 3.3935 3.4778 3.4778 3.5781 3.5781 6.3243 6.3243 7.0315 7.0315 8.0997 8.0997 8.3689 8.3689 8.5842 8.5842 8.6202 8.6202 8.7011 8.7011 8.7422 8.7422 8.8567 8.8567 9.0856 9.0856 9.2964 9.2964 9.8115 9.8115 10.4518 10.4518 11.1523 11.1523 11.5873 11.5873 13.6402 13.6402 13.6587 13.6587 13.7394 13.7394 k = 0.5000-0.2194 0.4572 ( 2544 PWs) bands (ev): 2.7412 2.7412 2.8352 2.8352 3.3948 3.3948 3.4780 3.4780 3.5769 3.5769 6.3320 6.3320 7.0422 7.0422 8.0848 8.0848 8.3685 8.3685 8.5740 8.5740 8.6203 8.6203 8.7032 8.7032 8.7503 8.7503 8.8720 8.8720 9.0864 9.0864 9.2822 9.2822 9.8129 9.8129 10.4001 10.4001 11.0832 11.0832 11.6600 11.6600 13.6362 13.6362 13.6685 13.6685 13.7541 13.7541 k = 0.5000-0.2078 0.4654 ( 2548 PWs) bands (ev): 2.7439 2.7439 2.8354 2.8354 3.3962 3.3962 3.4783 3.4783 3.5755 3.5755 6.3408 6.3408 7.0547 7.0547 8.0677 8.0677 8.3683 8.3683 8.5636 8.5636 8.6206 8.6206 8.7045 8.7045 8.7599 8.7599 8.8886 8.8886 9.0874 9.0874 9.2654 9.2654 9.8144 9.8144 10.3488 10.3488 11.0049 11.0049 11.7385 11.7385 13.6306 13.6306 13.6743 13.6743 13.7725 13.7725 k = 0.5000-0.1963 0.4736 ( 2546 PWs) bands (ev): 2.7470 2.7470 2.8356 2.8356 3.3977 3.3977 3.4788 3.4788 3.5740 3.5740 6.3507 6.3507 7.0690 7.0690 8.0485 8.0485 8.3683 8.3683 8.5533 8.5533 8.6212 8.6212 8.7056 8.7056 8.7703 8.7703 8.9067 8.9067 9.0884 9.0884 9.2461 9.2461 9.8162 9.8162 10.2991 10.2991 10.9201 10.9201 11.8208 11.8208 13.6234 13.6234 13.6773 13.6773 13.7920 13.7920 k = 0.5000-0.1848 0.4817 ( 2558 PWs) bands (ev): 2.7503 2.7503 2.8357 2.8357 3.3992 3.3992 3.4794 3.4794 3.5722 3.5722 6.3617 6.3617 7.0851 7.0851 8.0274 8.0274 8.3686 8.3686 8.5430 8.5430 8.6219 8.6219 8.7069 8.7069 8.7808 8.7808 8.9258 8.9258 9.0893 9.0893 9.2240 9.2240 9.8182 9.8182 10.2519 10.2519 10.8306 10.8306 11.9055 11.9055 13.6145 13.6145 13.6788 13.6788 13.8107 13.8107 k = 0.5000-0.1732 0.4899 ( 2566 PWs) bands (ev): 2.7539 2.7539 2.8358 2.8358 3.4006 3.4006 3.4803 3.4803 3.5703 3.5703 6.3735 6.3735 7.1030 7.1030 8.0046 8.0046 8.3695 8.3695 8.5332 8.5332 8.6227 8.6227 8.7084 8.7084 8.7911 8.7911 8.9461 8.9461 9.0901 9.0901 9.1998 9.1998 9.8203 9.8203 10.2079 10.2079 10.7381 10.7381 11.9916 11.9916 13.6036 13.6036 13.6796 13.6796 13.8277 13.8277 k = 0.5000-0.1617 0.4981 ( 2564 PWs) bands (ev): 2.7579 2.7579 2.8358 2.8358 3.4021 3.4021 3.4814 3.4814 3.5682 3.5682 6.3860 6.3860 7.1226 7.1226 7.9801 7.9801 8.3709 8.3709 8.5239 8.5239 8.6237 8.6237 8.7104 8.7104 8.8010 8.8010 8.9674 8.9674 9.0904 9.0904 9.1743 9.1743 9.8225 9.8225 10.1674 10.1674 10.6439 10.6439 12.0783 12.0783 13.5907 13.5907 13.6800 13.6800 13.8426 13.8426 k = 0.5000-0.1501 0.5062 ( 2564 PWs) bands (ev): 2.7620 2.7620 2.8358 2.8358 3.4034 3.4034 3.4829 3.4829 3.5660 3.5660 6.3991 6.3991 7.1438 7.1438 7.9542 7.9542 8.3730 8.3730 8.5152 8.5152 8.6245 8.6245 8.7127 8.7127 8.8102 8.8102 8.9895 8.9895 9.0888 9.0888 9.1490 9.1490 9.8248 9.8248 10.1305 10.1305 10.5490 10.5490 12.1651 12.1651 13.5756 13.5756 13.6802 13.6802 13.8552 13.8552 k = 0.5000-0.1386 0.5144 ( 2564 PWs) bands (ev): 2.7663 2.7663 2.8356 2.8356 3.4045 3.4045 3.4847 3.4847 3.5637 3.5637 6.4126 6.4126 7.1666 7.1666 7.9269 7.9269 8.3758 8.3758 8.5072 8.5072 8.6252 8.6252 8.7152 8.7152 8.8187 8.8187 9.0120 9.0120 9.0817 9.0817 9.1288 9.1288 9.8272 9.8272 10.0972 10.0972 10.4547 10.4547 12.2513 12.2513 13.5583 13.5583 13.6804 13.6804 13.8658 13.8658 k = 0.5000-0.1270 0.5226 ( 2568 PWs) bands (ev): 2.7707 2.7707 2.8353 2.8353 3.4054 3.4054 3.4868 3.4868 3.5611 3.5611 6.4262 6.4262 7.1909 7.1909 7.8984 7.8984 8.3792 8.3792 8.5003 8.5003 8.6258 8.6258 8.7180 8.7180 8.8260 8.8260 9.0325 9.0325 9.0648 9.0648 9.1207 9.1207 9.8295 9.8295 10.0671 10.0671 10.3618 10.3618 12.3367 12.3367 13.5386 13.5386 13.6806 13.6806 13.8745 13.8745 k = 0.5000-0.1155 0.5307 ( 2560 PWs) bands (ev): 2.7752 2.7752 2.8349 2.8349 3.4062 3.4062 3.4893 3.4893 3.5585 3.5585 6.4398 6.4398 7.2166 7.2166 7.8688 7.8688 8.3832 8.3832 8.4947 8.4947 8.6262 8.6262 8.7209 8.7209 8.8322 8.8322 9.0291 9.0291 9.0624 9.0624 9.1235 9.1235 9.8317 9.8317 10.0400 10.0400 10.2713 10.2713 12.4207 12.4207 13.5163 13.5163 13.6807 13.6807 13.8817 13.8817 k = 0.5000-0.1039 0.5389 ( 2568 PWs) bands (ev): 2.7796 2.7796 2.8342 2.8342 3.4067 3.4067 3.4919 3.4919 3.5557 3.5557 6.4531 6.4531 7.2436 7.2436 7.8382 7.8382 8.3874 8.3874 8.4905 8.4905 8.6264 8.6264 8.7237 8.7237 8.8367 8.8367 9.0019 9.0019 9.0769 9.0769 9.1354 9.1354 9.8336 9.8336 10.0148 10.0148 10.1846 10.1846 12.5031 12.5031 13.4915 13.4915 13.6809 13.6809 13.8875 13.8875 k = 0.5000-0.0924 0.5471 ( 2568 PWs) bands (ev): 2.7841 2.7841 2.8334 2.8334 3.4070 3.4070 3.4950 3.4950 3.5528 3.5528 6.4659 6.4659 7.2718 7.2718 7.8067 7.8067 8.3916 8.3916 8.4882 8.4882 8.6264 8.6264 8.7264 8.7264 8.8388 8.8388 8.9737 8.9737 9.0868 9.0868 9.1567 9.1567 9.8347 9.8347 9.9894 9.9894 10.1046 10.1046 12.5835 12.5835 13.4638 13.4638 13.6811 13.6811 13.8922 13.8922 k = 0.5000-0.0808 0.5552 ( 2564 PWs) bands (ev): 2.7885 2.7885 2.8325 2.8325 3.4072 3.4072 3.4983 3.4983 3.5497 3.5497 6.4779 6.4779 7.3011 7.3011 7.7746 7.7746 8.3954 8.3954 8.4882 8.4882 8.6263 8.6263 8.7289 8.7289 8.8374 8.8374 8.9483 8.9483 9.0923 9.0923 9.1853 9.1853 9.8337 9.8337 9.9577 9.9577 10.0388 10.0388 12.6617 12.6617 13.4333 13.4333 13.6813 13.6813 13.8959 13.8959 k = 0.5000-0.0693 0.5634 ( 2560 PWs) bands (ev): 2.7928 2.7928 2.8313 2.8313 3.4073 3.4073 3.5018 3.5018 3.5466 3.5466 6.4890 6.4890 7.3315 7.3315 7.7418 7.7418 8.3985 8.3985 8.4907 8.4907 8.6261 8.6261 8.7309 8.7309 8.8309 8.8309 8.9284 8.9284 9.0955 9.0955 9.2187 9.2187 9.8259 9.8259 9.9135 9.9135 9.9982 9.9982 12.7373 12.7373 13.3998 13.3998 13.6815 13.6815 13.8988 13.8988 k = 0.5000-0.0577 0.5715 ( 2560 PWs) bands (ev): 2.7969 2.7969 2.8299 2.8299 3.4072 3.4072 3.5054 3.5054 3.5433 3.5433 6.4988 6.4988 7.3626 7.3626 7.7086 7.7086 8.4007 8.4007 8.4954 8.4954 8.6257 8.6257 8.7323 8.7323 8.8189 8.8189 8.9155 8.9155 9.0976 9.0976 9.2557 9.2557 9.7956 9.7956 9.8787 9.8787 9.9765 9.9765 12.8102 12.8102 13.3631 13.3631 13.6817 13.6817 13.9011 13.9011 k = 0.5000-0.0462 0.5797 ( 2560 PWs) bands (ev): 2.8008 2.8008 2.8283 2.8283 3.4071 3.4071 3.5091 3.5091 3.5399 3.5399 6.5071 6.5071 7.3943 7.3943 7.6752 7.6752 8.4019 8.4019 8.5021 8.5021 8.6250 8.6250 8.7328 8.7328 8.8037 8.8037 8.9086 8.9086 9.0990 9.0990 9.2960 9.2960 9.7396 9.7396 9.8677 9.8677 9.9627 9.9627 12.8801 12.8801 13.3233 13.3233 13.6818 13.6818 13.9028 13.9028 k = 0.5000-0.0346 0.5879 ( 2562 PWs) bands (ev): 2.8043 2.8043 2.8266 2.8266 3.4070 3.4070 3.5128 3.5128 3.5364 3.5364 6.5139 6.5139 7.4263 7.4263 7.6418 7.6418 8.4025 8.4025 8.5096 8.5096 8.6242 8.6242 8.7320 8.7320 8.7888 8.7888 8.9054 8.9054 9.1001 9.1001 9.3393 9.3393 9.6767 9.6767 9.8653 9.8653 9.9530 9.9530 12.9469 12.9469 13.2801 13.2801 13.6819 13.6819 13.9041 13.9041 k = 0.5000-0.0231 0.5960 ( 2560 PWs) bands (ev): 2.8074 2.8074 2.8248 2.8248 3.4069 3.4069 3.5166 3.5166 3.5329 3.5329 6.5188 6.5188 7.4578 7.4578 7.6093 7.6093 8.4027 8.4027 8.5168 8.5168 8.6234 8.6234 8.7300 8.7300 8.7773 8.7773 8.9040 8.9040 9.1008 9.1008 9.3855 9.3855 9.6147 9.6147 9.8651 9.8651 9.9464 9.9464 13.0102 13.0102 13.2338 13.2338 13.6820 13.6820 13.9049 13.9049 k = 0.5000-0.0115 0.6042 ( 2580 PWs) bands (ev): 2.8094 2.8094 2.8233 2.8233 3.4067 3.4067 3.5199 3.5199 3.5295 3.5295 6.5217 6.5217 7.4866 7.4866 7.5799 7.5799 8.4026 8.4026 8.5219 8.5219 8.6226 8.6226 8.7273 8.7273 8.7706 8.7706 8.9035 8.9035 9.1011 9.1011 9.4329 9.4329 9.5572 9.5572 9.8654 9.8654 9.9425 9.9425 13.0695 13.0695 13.1848 13.1848 13.6821 13.6821 13.9054 13.9054 k = 0.5000 0.0000 0.6124 ( 2580 PWs) bands (ev): 2.8103 2.8103 2.8227 2.8227 3.4067 3.4067 3.5219 3.5219 3.5276 3.5276 6.5228 6.5228 7.5018 7.5018 7.5646 7.5646 8.4026 8.4026 8.5239 8.5239 8.6223 8.6223 8.7262 8.7262 8.7686 8.7686 8.9033 8.9033 9.1012 9.1012 9.4658 9.4658 9.5209 9.5209 9.8655 9.8655 9.9412 9.9412 13.1126 13.1126 13.1451 13.1451 13.6821 13.6821 13.9055 13.9055 k = 0.5000 0.0000 0.6124 ( 2580 PWs) bands (ev): 2.8103 2.8103 2.8227 2.8227 3.4067 3.4067 3.5219 3.5219 3.5276 3.5276 6.5228 6.5228 7.5018 7.5018 7.5646 7.5646 8.4026 8.4026 8.5239 8.5239 8.6223 8.6223 8.7262 8.7262 8.7686 8.7686 8.9033 8.9033 9.1012 9.1012 9.4658 9.4658 9.5209 9.5209 9.8655 9.8655 9.9412 9.9412 13.1126 13.1126 13.1451 13.1451 13.6821 13.6821 13.9055 13.9055 k = 0.4931 0.0120 0.6124 ( 2580 PWs) bands (ev): 2.8099 2.8099 2.8230 2.8230 3.4068 3.4068 3.5207 3.5207 3.5287 3.5287 6.5217 6.5217 7.4941 7.4941 7.5724 7.5724 8.4024 8.4024 8.5230 8.5230 8.6224 8.6224 8.7267 8.7267 8.7695 8.7695 8.9025 8.9025 9.1009 9.1009 9.4464 9.4464 9.5323 9.5323 9.8705 9.8705 9.9490 9.9490 13.0847 13.0847 13.1688 13.1688 13.6838 13.6838 13.9081 13.9081 k = 0.4861 0.0241 0.6124 ( 2569 PWs) bands (ev): 2.8089 2.8089 2.8239 2.8239 3.4071 3.4071 3.5184 3.5184 3.5310 3.5310 6.5187 6.5187 7.4781 7.4781 7.5889 7.5889 8.4017 8.4017 8.5202 8.5202 8.6230 8.6230 8.7277 8.7277 8.7726 8.7726 8.9001 8.9001 9.1001 9.1001 9.4141 9.4141 9.5406 9.5406 9.8775 9.8775 9.9804 9.9804 13.0399 13.0399 13.2006 13.2006 13.6889 13.6889 13.9162 13.9162 k = 0.4792 0.0361 0.6124 ( 2561 PWs) bands (ev): 2.8075 2.8075 2.8251 2.8251 3.4076 3.4076 3.5156 3.5156 3.5336 3.5336 6.5143 6.5143 7.4603 7.4603 7.6075 7.6075 8.4005 8.4005 8.5155 8.5155 8.6241 8.6241 8.7280 8.7280 8.7786 8.7786 8.8961 8.8961 9.0985 9.0985 9.3812 9.3812 9.5372 9.5372 9.8792 9.8792 10.0384 10.0384 12.9887 12.9887 13.2301 13.2301 13.6969 13.6969 13.9301 13.9301 k = 0.4722 0.0481 0.6124 ( 2558 PWs) bands (ev): 2.8058 2.8058 2.8264 2.8264 3.4082 3.4082 3.5126 3.5126 3.5361 3.5361 6.5089 6.5089 7.4425 7.4425 7.6262 7.6262 8.3988 8.3988 8.5094 8.5094 8.6258 8.6258 8.7270 8.7270 8.7872 8.7872 8.8906 8.8906 9.0965 9.0965 9.3503 9.3503 9.5257 9.5257 9.8775 9.8775 10.1150 10.1150 12.9319 12.9319 13.2567 13.2567 13.7074 13.7074 13.9501 13.9501 k = 0.4653 0.0601 0.6124 ( 2559 PWs) bands (ev): 2.8039 2.8039 2.8276 2.8276 3.4091 3.4091 3.5095 3.5095 3.5386 3.5386 6.5028 6.5028 7.4255 7.4255 7.6441 7.6441 8.3966 8.3966 8.5026 8.5026 8.6282 8.6282 8.7245 8.7245 8.7974 8.7974 8.8845 8.8845 9.0938 9.0938 9.3224 9.3224 9.5095 9.5095 9.8744 9.8744 10.2031 10.2031 12.8699 12.8699 13.2804 13.2804 13.7200 13.7200 13.9760 13.9760 k = 0.4583 0.0722 0.6124 ( 2549 PWs) bands (ev): 2.8021 2.8021 2.8289 2.8289 3.4102 3.4102 3.5064 3.5064 3.5411 3.5411 6.4963 6.4963 7.4097 7.4097 7.6612 7.6612 8.3939 8.3939 8.4956 8.4956 8.6311 8.6311 8.7205 8.7205 8.8070 8.8070 8.8794 8.8794 9.0908 9.0908 9.2979 9.2979 9.4909 9.4909 9.8709 9.8709 10.2987 10.2987 12.8032 12.8032 13.3015 13.3015 13.7341 13.7341 14.0076 14.0076 k = 0.4514 0.0842 0.6124 ( 2555 PWs) bands (ev): 2.8001 2.8001 2.8300 2.8300 3.4113 3.4113 3.5031 3.5031 3.5434 3.5434 6.4897 6.4897 7.3950 7.3950 7.6771 7.6771 8.3904 8.3904 8.4890 8.4890 8.6343 8.6343 8.7152 8.7152 8.8125 8.8125 8.8788 8.8788 9.0873 9.0873 9.2769 9.2769 9.4710 9.4710 9.8672 9.8672 10.3989 10.3989 12.7323 12.7323 13.3202 13.3202 13.7491 13.7491 14.0446 14.0446 k = 0.4444 0.0962 0.6124 ( 2559 PWs) bands (ev): 2.7982 2.7982 2.8310 2.8310 3.4127 3.4127 3.4998 3.4998 3.5456 3.5456 6.4830 6.4830 7.3816 7.3816 7.6919 7.6919 8.3864 8.3864 8.4833 8.4833 8.6375 8.6375 8.7088 8.7088 8.8108 8.8108 8.8855 8.8855 9.0836 9.0836 9.2593 9.2593 9.4507 9.4507 9.8637 9.8637 10.5021 10.5021 12.6577 12.6577 13.3368 13.3368 13.7644 13.7644 14.0865 14.0865 k = 0.4375 0.1083 0.6124 ( 2563 PWs) bands (ev): 2.7964 2.7964 2.8320 2.8320 3.4142 3.4142 3.4966 3.4966 3.5476 3.5476 6.4766 6.4766 7.3695 7.3695 7.7055 7.7055 8.3818 8.3818 8.4787 8.4787 8.6404 8.6404 8.7017 8.7017 8.8034 8.8034 8.8986 8.8986 9.0799 9.0799 9.2446 9.2446 9.4305 9.4305 9.8604 9.8604 10.6072 10.6072 12.5799 12.5799 13.3513 13.3513 13.7797 13.7797 14.1330 14.1330 k = 0.4306 0.1203 0.6124 ( 2561 PWs) bands (ev): 2.7948 2.7948 2.8328 2.8328 3.4158 3.4158 3.4934 3.4934 3.5496 3.5496 6.4705 6.4705 7.3588 7.3588 7.7180 7.7180 8.3768 8.3768 8.4755 8.4755 8.6423 8.6423 8.6945 8.6945 8.7934 8.7934 8.9152 8.9152 9.0764 9.0764 9.2324 9.2324 9.4107 9.4107 9.8574 9.8574 10.7129 10.7129 12.4996 12.4996 13.3641 13.3641 13.7945 13.7945 14.1836 14.1836 k = 0.4236 0.1323 0.6124 ( 2565 PWs) bands (ev): 2.7932 2.7932 2.8336 2.8336 3.4175 3.4175 3.4904 3.4904 3.5513 3.5513 6.4648 6.4648 7.3493 7.3493 7.7291 7.7291 8.3716 8.3716 8.4736 8.4736 8.6420 8.6420 8.6887 8.6887 8.7827 8.7827 8.9333 8.9333 9.0730 9.0730 9.2220 9.2220 9.3918 9.3918 9.8547 9.8547 10.8182 10.8182 12.4174 12.4174 13.3752 13.3752 13.8083 13.8083 14.2378 14.2378 k = 0.4167 0.1443 0.6124 ( 2561 PWs) bands (ev): 2.7918 2.7918 2.8343 2.8343 3.4192 3.4192 3.4875 3.4875 3.5528 3.5528 6.4598 6.4598 7.3412 7.3412 7.7390 7.7390 8.3665 8.3665 8.4728 8.4728 8.6382 8.6382 8.6857 8.6857 8.7723 8.7723 8.9518 8.9518 9.0700 9.0700 9.2129 9.2129 9.3741 9.3741 9.8523 9.8523 10.9220 10.9220 12.3342 12.3342 13.3848 13.3848 13.8208 13.8208 14.2951 14.2951 k = 0.4097 0.1564 0.6124 ( 2567 PWs) bands (ev): 2.7906 2.7906 2.8348 2.8348 3.4208 3.4208 3.4848 3.4848 3.5541 3.5541 6.4554 6.4554 7.3343 7.3343 7.7474 7.7474 8.3617 8.3617 8.4731 8.4731 8.6312 8.6312 8.6860 8.6860 8.7627 8.7627 8.9699 8.9699 9.0674 9.0674 9.2047 9.2047 9.3581 9.3581 9.8503 9.8503 11.0228 11.0228 12.2512 12.2512 13.3928 13.3928 13.8318 13.8318 14.3548 14.3548 k = 0.4028 0.1684 0.6124 ( 2569 PWs) bands (ev): 2.7895 2.7895 2.8352 2.8352 3.4224 3.4224 3.4824 3.4824 3.5551 3.5551 6.4517 6.4517 7.3287 7.3287 7.7545 7.7545 8.3575 8.3575 8.4741 8.4741 8.6225 8.6225 8.6886 8.6886 8.7541 8.7541 8.9869 8.9869 9.0652 9.0652 9.1972 9.1972 9.3442 9.3442 9.8487 9.8487 11.1185 11.1185 12.1702 12.1702 13.3994 13.3994 13.8411 13.8411 14.4165 14.4165 k = 0.3958 0.1804 0.6124 ( 2571 PWs) bands (ev): 2.7887 2.7887 2.8355 2.8355 3.4237 3.4237 3.4804 3.4804 3.5559 3.5559 6.4487 6.4487 7.3243 7.3243 7.7600 7.7600 8.3541 8.3541 8.4755 8.4755 8.6139 8.6139 8.6923 8.6923 8.7465 8.7465 9.0019 9.0019 9.0636 9.0636 9.1903 9.1903 9.3328 9.3328 9.8474 9.8474 11.2060 11.2060 12.0944 12.0944 13.4045 13.4045 13.8484 13.8484 14.4793 14.4793 k = 0.3889 0.1925 0.6124 ( 2574 PWs) bands (ev): 2.7881 2.7881 2.8357 2.8357 3.4248 3.4248 3.4789 3.4789 3.5565 3.5565 6.4466 6.4466 7.3212 7.3212 7.7640 7.7640 8.3515 8.3515 8.4770 8.4770 8.6067 8.6067 8.6963 8.6963 8.7402 8.7402 9.0138 9.0138 9.0626 9.0626 9.1845 9.1845 9.3244 9.3244 9.8465 9.8465 11.2800 11.2800 12.0289 12.0289 13.4082 13.4082 13.8538 13.8538 14.5425 14.5425 k = 0.3819 0.2045 0.6124 ( 2576 PWs) bands (ev): 2.7878 2.7878 2.8359 2.8359 3.4254 3.4254 3.4779 3.4779 3.5569 3.5569 6.4453 6.4453 7.3194 7.3194 7.7664 7.7664 8.3499 8.3499 8.4781 8.4781 8.6020 8.6020 8.6994 8.6994 8.7357 8.7357 9.0216 9.0216 9.0621 9.0621 9.1804 9.1804 9.3192 9.3192 9.8459 9.8459 11.3317 11.3317 11.9822 11.9822 13.4104 13.4104 13.8570 13.8570 14.6052 14.6052 k = 0.3750 0.2165 0.6124 ( 2574 PWs) bands (ev): 2.7877 2.7877 2.8359 2.8359 3.4257 3.4257 3.4776 3.4776 3.5570 3.5570 6.4449 6.4449 7.3188 7.3188 7.7672 7.7672 8.3494 8.3494 8.4785 8.4785 8.6004 8.6004 8.7007 8.7007 8.7340 8.7340 9.0244 9.0244 9.0619 9.0619 9.1789 9.1789 9.3175 9.3175 9.8457 9.8457 11.3507 11.3507 11.9649 11.9649 13.4111 13.4111 13.8581 13.8581 14.6582 14.6582 k = 0.3750 0.2165 0.6124 ( 2574 PWs) bands (ev): 2.7877 2.7877 2.8359 2.8359 3.4257 3.4257 3.4776 3.4776 3.5570 3.5570 6.4449 6.4449 7.3188 7.3188 7.7672 7.7672 8.3494 8.3494 8.4785 8.4785 8.6004 8.6004 8.7007 8.7007 8.7340 8.7340 9.0244 9.0244 9.0619 9.0619 9.1789 9.1789 9.3175 9.3175 9.8457 9.8457 11.3507 11.3507 11.9649 11.9649 13.4111 13.4111 13.8581 13.8581 14.6582 14.6582 k = 0.3679 0.2124 0.6008 ( 2574 PWs) bands (ev): 2.7922 2.7922 2.8355 2.8355 3.4287 3.4287 3.4775 3.4775 3.5553 3.5553 6.4443 6.4443 7.3554 7.3554 7.7305 7.7305 8.3474 8.3474 8.4710 8.4710 8.5819 8.5819 8.7011 8.7011 8.7416 8.7416 9.0041 9.0041 9.0544 9.0544 9.1530 9.1530 9.3067 9.3067 9.8478 9.8478 11.3624 11.3624 12.0277 12.0277 13.3811 13.3811 13.8880 13.8880 14.6637 14.6637 k = 0.3608 0.2083 0.5893 ( 2570 PWs) bands (ev): 2.7966 2.7966 2.8350 2.8350 3.4317 3.4317 3.4774 3.4774 3.5537 3.5537 6.4384 6.4384 7.3941 7.3941 7.6942 7.6942 8.3453 8.3453 8.4635 8.4635 8.5626 8.5626 8.7004 8.7004 8.7495 8.7495 8.9810 8.9810 9.0440 9.0440 9.1188 9.1188 9.3181 9.3181 9.8497 9.8497 11.3759 11.3759 12.0943 12.0943 13.3496 13.3496 13.9211 13.9211 14.6481 14.6481 k = 0.3538 0.2043 0.5777 ( 2570 PWs) bands (ev): 2.8009 2.8009 2.8343 2.8343 3.4346 3.4346 3.4773 3.4773 3.5521 3.5521 6.4260 6.4260 7.4347 7.4347 7.6595 7.6595 8.3429 8.3429 8.4559 8.4559 8.5430 8.5430 8.6988 8.6988 8.7575 8.7575 8.9557 8.9557 9.0279 9.0279 9.0924 9.0924 9.3382 9.3382 9.8514 9.8514 11.3913 11.3913 12.1646 12.1646 13.3165 13.3165 13.9575 13.9575 14.6291 14.6291 k = 0.3467 0.2002 0.5662 ( 2570 PWs) bands (ev): 2.8051 2.8051 2.8335 2.8335 3.4373 3.4373 3.4772 3.4772 3.5505 3.5505 6.4059 6.4059 7.4773 7.4773 7.6277 7.6277 8.3401 8.3401 8.4476 8.4476 8.5241 8.5241 8.6963 8.6963 8.7650 8.7650 8.9291 8.9291 9.0076 9.0076 9.0769 9.0769 9.3616 9.3616 9.8529 9.8529 11.4086 11.4086 12.2386 12.2386 13.2820 13.2820 13.9973 13.9973 14.6073 14.6073 k = 0.3396 0.1961 0.5546 ( 2558 PWs) bands (ev): 2.8091 2.8091 2.8327 2.8327 3.4398 3.4398 3.4771 3.4771 3.5492 3.5492 6.3771 6.3771 7.5219 7.5219 7.6003 7.6003 8.3370 8.3370 8.4377 8.4377 8.5072 8.5072 8.6932 8.6932 8.7719 8.7719 8.9035 8.9035 8.9878 8.9878 9.0677 9.0677 9.3867 9.3867 9.8541 9.8541 11.4278 11.4278 12.3165 12.3165 13.2461 13.2461 14.0406 14.0406 14.5829 14.5829 k = 0.3325 0.1920 0.5430 ( 2556 PWs) bands (ev): 2.8128 2.8128 2.8317 2.8317 3.4420 3.4420 3.4770 3.4770 3.5478 3.5478 6.3389 6.3389 7.5679 7.5679 7.5787 7.5787 8.3334 8.3334 8.4251 8.4251 8.4940 8.4940 8.6892 8.6892 8.7772 8.7772 8.8810 8.8810 8.9704 8.9704 9.0611 9.0611 9.4126 9.4126 9.8552 9.8552 11.4488 11.4488 12.3981 12.3981 13.2088 13.2088 14.0873 14.0873 14.5564 14.5564 k = 0.3255 0.1879 0.5315 ( 2558 PWs) bands (ev): 2.8162 2.8162 2.8307 2.8307 3.4439 3.4439 3.4770 3.4770 3.5464 3.5464 6.2909 6.2909 7.5622 7.5622 7.6167 7.6167 8.3293 8.3293 8.4092 8.4092 8.4854 8.4854 8.6845 8.6845 8.7802 8.7802 8.8634 8.8634 8.9555 8.9555 9.0558 9.0558 9.4390 9.4390 9.8560 9.8560 11.4717 11.4717 12.4833 12.4833 13.1702 13.1702 14.1375 14.1375 14.5281 14.5281 k = 0.3184 0.1838 0.5199 ( 2562 PWs) bands (ev): 2.8192 2.8192 2.8295 2.8295 3.4455 3.4455 3.4769 3.4769 3.5450 3.5450 6.2334 6.2334 7.5528 7.5528 7.6666 7.6666 8.3243 8.3243 8.3912 8.3912 8.4810 8.4810 8.6794 8.6794 8.7799 8.7799 8.8518 8.8518 8.9430 8.9430 9.0511 9.0511 9.4660 9.4660 9.8566 9.8566 11.4965 11.4965 12.5721 12.5721 13.1304 13.1304 14.1911 14.1911 14.4987 14.4987 k = 0.3113 0.1797 0.5084 ( 2566 PWs) bands (ev): 2.8217 2.8217 2.8286 2.8286 3.4467 3.4467 3.4769 3.4769 3.5437 3.5437 6.1670 6.1670 7.5497 7.5497 7.7182 7.7182 8.3178 8.3178 8.3731 8.3731 8.4798 8.4798 8.6741 8.6741 8.7762 8.7762 8.8456 8.8456 8.9331 8.9331 9.0470 9.0470 9.4935 9.4935 9.8571 9.8571 11.5231 11.5231 12.6642 12.6642 13.0893 13.0893 14.2475 14.2475 14.4689 14.4689 k = 0.3042 0.1757 0.4968 ( 2570 PWs) bands (ev): 2.8232 2.8232 2.8282 2.8282 3.4475 3.4475 3.4769 3.4769 3.5423 3.5423 6.0926 6.0926 7.5525 7.5525 7.7713 7.7713 8.3083 8.3083 8.3575 8.3575 8.4810 8.4810 8.6687 8.6687 8.7702 8.7702 8.8429 8.8429 8.9258 8.9258 9.0434 9.0434 9.5216 9.5216 9.8575 9.8575 11.5516 11.5516 12.7595 12.7595 13.0471 13.0471 14.3051 14.3051 14.4409 14.4409 k = 0.2972 0.1716 0.4853 ( 2570 PWs) bands (ev): 2.8230 2.8230 2.8291 2.8291 3.4480 3.4480 3.4770 3.4770 3.5410 3.5410 6.0114 6.0114 7.5604 7.5604 7.8258 7.8258 8.2945 8.2945 8.3464 8.3464 8.4839 8.4839 8.6637 8.6637 8.7630 8.7630 8.8416 8.8416 8.9214 8.9214 9.0404 9.0404 9.5505 9.5505 9.8579 9.8579 11.5819 11.5819 12.8573 12.8573 13.0040 13.0040 14.3535 14.3535 14.4256 14.4256 k = 0.2901 0.1675 0.4737 ( 2564 PWs) bands (ev): 2.8220 2.8220 2.8307 2.8307 3.4482 3.4482 3.4770 3.4770 3.5397 3.5397 5.9245 5.9245 7.5727 7.5727 7.8814 7.8814 8.2771 8.2771 8.3399 8.3399 8.4881 8.4881 8.6591 8.6591 8.7555 8.7555 8.8402 8.8402 8.9200 8.9200 9.0380 9.0380 9.5802 9.5802 9.8586 9.8586 11.6140 11.6140 12.9522 12.9522 12.9652 12.9652 14.3549 14.3549 14.4616 14.4616 k = 0.2830 0.1634 0.4622 ( 2554 PWs) bands (ev): 2.8206 2.8206 2.8322 2.8322 3.4482 3.4482 3.4771 3.4771 3.5383 3.5383 5.8332 5.8332 7.5886 7.5886 7.9379 7.9379 8.2580 8.2580 8.3364 8.3364 8.4934 8.4934 8.6550 8.6550 8.7480 8.7480 8.8383 8.8383 8.9215 8.9215 9.0361 9.0361 9.6111 9.6111 9.8595 9.8595 11.6479 11.6479 12.9139 12.9139 13.0600 13.0600 14.3314 14.3314 14.5273 14.5273 k = 0.2759 0.1593 0.4506 ( 2554 PWs) bands (ev): 2.8190 2.8190 2.8335 2.8335 3.4478 3.4478 3.4770 3.4770 3.5368 3.5368 5.7384 5.7384 7.6071 7.6071 7.9947 7.9947 8.2388 8.2388 8.3346 8.3346 8.4996 8.4996 8.6514 8.6514 8.7404 8.7404 8.8360 8.8360 8.9250 8.9250 9.0350 9.0350 9.6431 9.6431 9.8609 9.8609 11.6836 11.6836 12.8680 12.8680 13.1622 13.1622 14.3062 14.3062 14.6005 14.6005 k = 0.2689 0.1552 0.4391 ( 2568 PWs) bands (ev): 2.8172 2.8172 2.8344 2.8344 3.4470 3.4470 3.4766 3.4766 3.5350 3.5350 5.6411 5.6411 7.6277 7.6277 8.0509 8.0509 8.2207 8.2207 8.3339 8.3339 8.5065 8.5065 8.6481 8.6481 8.7329 8.7329 8.8338 8.8338 8.9299 8.9299 9.0345 9.0345 9.6764 9.6764 9.8629 9.8629 11.7210 11.7210 12.8212 12.8212 13.2634 13.2634 14.2840 14.2840 14.6782 14.6782 k = 0.2618 0.1511 0.4275 ( 2566 PWs) bands (ev): 2.8154 2.8154 2.8351 2.8351 3.4461 3.4461 3.4763 3.4763 3.5333 3.5333 5.5420 5.5420 7.6497 7.6497 8.1039 8.1039 8.2063 8.2063 8.3342 8.3342 8.5142 8.5142 8.6453 8.6453 8.7255 8.7255 8.8324 8.8324 8.9359 8.9359 9.0348 9.0348 9.7110 9.7110 9.8662 9.8662 11.7603 11.7603 12.7737 12.7737 13.3614 13.3614 14.2681 14.2681 14.7594 14.7594 k = 0.2547 0.1471 0.4160 ( 2568 PWs) bands (ev): 2.8136 2.8136 2.8355 2.8355 3.4451 3.4451 3.4757 3.4757 3.5313 3.5313 5.4419 5.4419 7.6726 7.6726 8.1421 8.1421 8.2066 8.2066 8.3352 8.3352 8.5226 8.5226 8.6428 8.6428 8.7182 8.7182 8.8321 8.8321 8.9424 8.9424 9.0361 9.0361 9.7468 9.7468 9.8714 9.8714 11.8013 11.8013 12.7255 12.7255 13.4527 13.4527 14.2619 14.2619 14.8436 14.8436 k = 0.2476 0.1430 0.4044 ( 2570 PWs) bands (ev): 2.8117 2.8117 2.8356 2.8356 3.4438 3.4438 3.4750 3.4750 3.5291 3.5291 5.3414 5.3414 7.6961 7.6961 8.1462 8.1462 8.2396 8.2396 8.3373 8.3373 8.5320 8.5320 8.6407 8.6407 8.7116 8.7116 8.8329 8.8329 8.9490 8.9490 9.0383 9.0383 9.7826 9.7826 9.8798 9.8798 11.8440 11.8440 12.6768 12.6768 13.5328 13.5328 14.2700 14.2700 14.9308 14.9308 k = 0.2406 0.1389 0.3928 ( 2568 PWs) bands (ev): 2.8099 2.8099 2.8354 2.8354 3.4425 3.4425 3.4741 3.4741 3.5268 3.5268 5.2410 5.2410 7.7198 7.7198 8.1356 8.1356 8.2828 8.2828 8.3421 8.3421 8.5428 8.5428 8.6388 8.6388 8.7063 8.7063 8.8349 8.8349 8.9555 8.9555 9.0414 9.0414 9.8160 9.8160 9.8945 9.8945 11.8885 11.8885 12.6277 12.6277 13.5968 13.5968 14.2975 14.2975 15.0206 15.0206 k = 0.2335 0.1348 0.3813 ( 2566 PWs) bands (ev): 2.8081 2.8081 2.8349 2.8349 3.4410 3.4410 3.4731 3.4731 3.5243 3.5243 5.1411 5.1411 7.7434 7.7434 8.1228 8.1228 8.3148 8.3148 8.3562 8.3562 8.5555 8.5555 8.6372 8.6372 8.7037 8.7037 8.8380 8.8380 8.9617 8.9617 9.0456 9.0456 9.8427 9.8427 9.9201 9.9201 11.9347 11.9347 12.5782 12.5782 13.6409 13.6409 14.3479 14.3479 15.1128 15.1128 k = 0.2264 0.1307 0.3697 ( 2561 PWs) bands (ev): 2.8063 2.8063 2.8342 2.8342 3.4396 3.4396 3.4718 3.4718 3.5216 3.5216 5.0421 5.0421 7.7666 7.7666 8.1104 8.1104 8.3267 8.3267 8.3832 8.3832 8.5704 8.5704 8.6356 8.6356 8.7063 8.7063 8.8420 8.8420 8.9676 8.9676 9.0507 9.0507 9.8620 9.8620 9.9579 9.9579 11.9826 11.9826 12.5285 12.5285 13.6651 13.6651 14.4211 14.4211 15.2070 15.2070 k = 0.2193 0.1266 0.3582 ( 2561 PWs) bands (ev): 2.8045 2.8045 2.8331 2.8331 3.4380 3.4380 3.4704 3.4704 3.5186 3.5186 4.9444 4.9444 7.7895 7.7895 8.0988 8.0988 8.3307 8.3307 8.4082 8.4082 8.5860 8.5860 8.6337 8.6337 8.7173 8.7173 8.8466 8.8466 8.9731 8.9731 9.0569 9.0569 9.8778 9.8778 10.0042 10.0042 12.0322 12.0322 12.4785 12.4785 13.6730 13.6730 14.5132 14.5132 15.3031 15.3031 k = 0.2123 0.1226 0.3466 ( 2573 PWs) bands (ev): 2.8026 2.8026 2.8317 2.8317 3.4362 3.4362 3.4687 3.4687 3.5152 3.5152 4.8481 4.8481 7.8117 7.8117 8.0884 8.0884 8.3327 8.3327 8.4247 8.4247 8.5981 8.5981 8.6329 8.6329 8.7395 8.7395 8.8515 8.8515 8.9782 8.9782 9.0638 9.0638 9.8935 9.8935 10.0560 10.0560 12.0835 12.0835 12.4285 12.4285 13.6693 13.6693 14.6191 14.6191 15.4007 15.4007 k = 0.2052 0.1185 0.3351 ( 2569 PWs) bands (ev): 2.8008 2.8008 2.8302 2.8302 3.4346 3.4346 3.4669 3.4669 3.5118 3.5118 4.7536 4.7536 7.8334 7.8334 8.0793 8.0793 8.3339 8.3339 8.4331 8.4331 8.6022 8.6022 8.6362 8.6362 8.7723 8.7723 8.8565 8.8565 8.9834 8.9834 9.0716 9.0716 9.9110 9.9110 10.1119 10.1119 12.1364 12.1364 12.3785 12.3785 13.6582 13.6582 14.7340 14.7340 15.4994 15.4994 k = 0.1981 0.1144 0.3235 ( 2565 PWs) bands (ev): 2.7991 2.7991 2.8285 2.8285 3.4329 3.4329 3.4650 3.4650 3.5082 3.5082 4.6610 4.6610 7.8544 7.8544 8.0716 8.0716 8.3347 8.3347 8.4352 8.4352 8.5987 8.5987 8.6438 8.6438 8.8114 8.8114 8.8618 8.8618 8.9890 8.9890 9.0801 9.0801 9.9313 9.9313 10.1712 10.1712 12.1910 12.1910 12.3286 12.3286 13.6427 13.6427 14.8542 14.8542 15.5989 15.5989 k = 0.1910 0.1103 0.3120 ( 2567 PWs) bands (ev): 2.7973 2.7973 2.8266 2.8266 3.4312 3.4312 3.4629 3.4629 3.5044 3.5044 4.5706 4.5706 7.8747 7.8747 8.0652 8.0652 8.3351 8.3351 8.4330 8.4330 8.5914 8.5914 8.6532 8.6532 8.8504 8.8504 8.8689 8.8689 8.9958 8.9958 9.0892 9.0892 9.9553 9.9553 10.2332 10.2332 12.2471 12.2471 12.2791 12.2791 13.6251 13.6251 14.9763 14.9763 15.6985 15.6985 k = 0.1840 0.1062 0.3004 ( 2571 PWs) bands (ev): 2.7956 2.7956 2.8244 2.8244 3.4295 3.4295 3.4607 3.4607 3.5002 3.5002 4.4826 4.4826 7.8943 7.8943 8.0602 8.0602 8.3352 8.3352 8.4279 8.4279 8.5823 8.5823 8.6632 8.6632 8.8664 8.8664 8.8960 8.8960 9.0057 9.0057 9.0988 9.0988 9.9835 9.9835 10.2975 10.2975 12.2294 12.2294 12.3051 12.3051 13.6068 13.6068 15.0976 15.0976 15.7978 15.7978 k = 0.1769 0.1021 0.2889 ( 2571 PWs) bands (ev): 2.7940 2.7940 2.8220 2.8220 3.4279 3.4279 3.4584 3.4584 3.4960 3.4960 4.3970 4.3970 7.9132 7.9132 8.0566 8.0566 8.3351 8.3351 8.4207 8.4207 8.5724 8.5724 8.6735 8.6735 8.8706 8.8706 8.9268 8.9268 9.0217 9.0217 9.1088 9.1088 10.0165 10.0165 10.3638 10.3638 12.1805 12.1805 12.3643 12.3643 13.5889 13.5889 15.2154 15.2154 15.8959 15.8959 k = 0.1698 0.0980 0.2773 ( 2577 PWs) bands (ev): 2.7923 2.7923 2.8195 2.8195 3.4262 3.4262 3.4560 3.4560 3.4916 3.4916 4.3140 4.3140 7.9313 7.9313 8.0544 8.0544 8.3347 8.3347 8.4121 8.4121 8.5619 8.5619 8.6841 8.6841 8.8733 8.8733 8.9474 8.9474 9.0461 9.0461 9.1192 9.1192 10.0546 10.0546 10.4314 10.4314 12.1320 12.1320 12.4251 12.4251 13.5722 13.5722 15.3271 15.3271 15.9920 15.9920 k = 0.1627 0.0940 0.2657 ( 2581 PWs) bands (ev): 2.7907 2.7907 2.8169 2.8169 3.4246 3.4246 3.4535 3.4535 3.4870 3.4870 4.2337 4.2337 7.9486 7.9486 8.0536 8.0536 8.3341 8.3341 8.4026 8.4026 8.5510 8.5510 8.6948 8.6948 8.8752 8.8752 8.9589 8.9589 9.0764 9.0764 9.1299 9.1299 10.0981 10.0981 10.5001 10.5001 12.0841 12.0841 12.4873 12.4873 13.5573 13.5573 15.4305 15.4305 16.0849 16.0849 k = 0.1557 0.0899 0.2542 ( 2591 PWs) bands (ev): 2.7890 2.7890 2.8142 2.8142 3.4230 3.4230 3.4509 3.4509 3.4823 3.4823 4.1562 4.1562 7.9651 7.9651 8.0542 8.0542 8.3333 8.3333 8.3926 8.3926 8.5397 8.5397 8.7055 8.7055 8.8762 8.8762 8.9651 8.9651 9.1081 9.1081 9.1408 9.1408 10.1471 10.1471 10.5691 10.5691 12.0370 12.0370 12.5508 12.5508 13.5447 13.5447 15.5237 15.5237 16.1733 16.1733 k = 0.1486 0.0858 0.2426 ( 2591 PWs) bands (ev): 2.7875 2.7875 2.8114 2.8114 3.4215 3.4215 3.4484 3.4484 3.4776 3.4776 4.0817 4.0817 7.9808 7.9808 8.0562 8.0562 8.3323 8.3323 8.3825 8.3825 8.5281 8.5281 8.7162 8.7162 8.8765 8.8765 8.9684 8.9684 9.1385 9.1385 9.1521 9.1521 10.2015 10.2015 10.6381 10.6381 11.9907 11.9907 12.6157 12.6157 13.5349 13.5349 15.6058 15.6058 16.2549 16.2549 k = 0.1415 0.0817 0.2311 ( 2597 PWs) bands (ev): 2.7860 2.7860 2.8084 2.8084 3.4201 3.4201 3.4458 3.4458 3.4728 3.4728 4.0102 4.0102 7.9957 7.9957 8.0597 8.0597 8.3309 8.3309 8.3722 8.3722 8.5164 8.5164 8.7267 8.7267 8.8762 8.8762 8.9702 8.9702 9.1630 9.1630 9.1669 9.1669 10.2610 10.2610 10.7065 10.7065 11.9453 11.9453 12.6816 12.6816 13.5279 13.5279 15.6768 15.6768 16.3268 16.3268 k = 0.1344 0.0776 0.2195 ( 2597 PWs) bands (ev): 2.7845 2.7845 2.8055 2.8055 3.4187 3.4187 3.4433 3.4433 3.4680 3.4680 3.9419 3.9419 8.0095 8.0095 8.0647 8.0647 8.3292 8.3292 8.3623 8.3623 8.5044 8.5044 8.7369 8.7369 8.8752 8.8752 8.9710 8.9710 9.1750 9.1750 9.1916 9.1916 10.3250 10.3250 10.7736 10.7736 11.9009 11.9009 12.7487 12.7487 13.5241 13.5241 15.7379 15.7379 16.3840 16.3840 k = 0.1274 0.0735 0.2080 ( 2593 PWs) bands (ev): 2.7831 2.7831 2.8027 2.8027 3.4175 3.4175 3.4408 3.4408 3.4632 3.4632 3.8767 3.8767 8.0224 8.0224 8.0712 8.0712 8.3270 8.3270 8.3529 8.3529 8.4923 8.4923 8.7468 8.7468 8.8736 8.8736 8.9712 8.9712 9.1869 9.1869 9.2135 9.2135 10.3931 10.3931 10.8391 10.8391 11.8578 11.8578 12.8167 12.8167 13.5237 13.5237 15.7907 15.7907 16.4184 16.4184 k = 0.1203 0.0694 0.1964 ( 2593 PWs) bands (ev): 2.7817 2.7817 2.7997 2.7997 3.4163 3.4163 3.4383 3.4383 3.4584 3.4584 3.8148 3.8148 8.0343 8.0343 8.0791 8.0791 8.3242 8.3242 8.3442 8.3442 8.4800 8.4800 8.7562 8.7562 8.8716 8.8716 8.9709 8.9709 9.1987 9.1987 9.2327 9.2327 10.4645 10.4645 10.9023 10.9023 11.8159 11.8159 12.8854 12.8854 13.5265 13.5265 15.8372 15.8372 16.4203 16.4203 k = 0.1132 0.0654 0.1849 ( 2593 PWs) bands (ev): 2.7804 2.7804 2.7968 2.7968 3.4152 3.4152 3.4358 3.4358 3.4537 3.4537 3.7562 3.7562 8.0455 8.0455 8.0882 8.0882 8.3204 8.3204 8.3366 8.3366 8.4675 8.4675 8.7652 8.7652 8.8691 8.8691 8.9702 8.9702 9.2107 9.2107 9.2492 9.2492 10.5385 10.5385 10.9628 10.9628 11.7754 11.7754 12.9547 12.9547 13.5327 13.5327 15.8793 15.8793 16.3890 16.3890 k = 0.1061 0.0613 0.1733 ( 2597 PWs) bands (ev): 2.7790 2.7790 2.7939 2.7939 3.4141 3.4141 3.4334 3.4334 3.4490 3.4490 3.7010 3.7010 8.0561 8.0561 8.0981 8.0981 8.3153 8.3153 8.3306 8.3306 8.4549 8.4549 8.7735 8.7735 8.8662 8.8662 8.9693 8.9693 9.2225 9.2225 9.2635 9.2635 10.6144 10.6144 11.0203 11.0203 11.7364 11.7364 13.0242 13.0242 13.5420 13.5420 15.9187 15.9187 16.3357 16.3357 k = 0.0991 0.0572 0.1618 ( 2597 PWs) bands (ev): 2.7778 2.7778 2.7911 2.7911 3.4130 3.4130 3.4311 3.4311 3.4444 3.4444 3.6494 3.6494 8.0665 8.0665 8.1086 8.1086 8.3091 8.3091 8.3260 8.3260 8.4423 8.4423 8.7813 8.7813 8.8630 8.8630 8.9683 8.9683 9.2343 9.2343 9.2758 9.2758 10.6914 10.6914 11.0742 11.0742 11.6992 11.6992 13.0938 13.0938 13.5543 13.5543 15.9563 15.9563 16.2718 16.2718 k = 0.0920 0.0531 0.1502 ( 2589 PWs) bands (ev): 2.7766 2.7766 2.7884 2.7884 3.4121 3.4121 3.4289 3.4289 3.4400 3.4400 3.6013 3.6013 8.0769 8.0769 8.1194 8.1194 8.3024 8.3024 8.3222 8.3222 8.4296 8.4296 8.7885 8.7885 8.8597 8.8597 8.9672 8.9672 9.2460 9.2460 9.2864 9.2864 10.7688 10.7688 11.1245 11.1245 11.6637 11.6637 13.1632 13.1632 13.5692 13.5692 15.9923 15.9923 16.2041 16.2041 k = 0.0849 0.0490 0.1387 ( 2597 PWs) bands (ev): 2.7754 2.7754 2.7857 2.7857 3.4109 3.4109 3.4268 3.4268 3.4354 3.4354 3.5570 3.5570 8.0873 8.0873 8.1301 8.1301 8.2956 8.2956 8.3186 8.3186 8.4168 8.4168 8.7951 8.7951 8.8562 8.8562 8.9661 8.9661 9.2573 9.2573 9.2954 9.2954 10.8456 10.8456 11.1707 11.1707 11.6302 11.6302 13.2318 13.2318 13.5863 13.5863 16.0240 16.0240 16.1392 16.1392 k = 0.0778 0.0449 0.1271 ( 2593 PWs) bands (ev): 2.7744 2.7744 2.7832 2.7832 3.4097 3.4097 3.4247 3.4247 3.4309 3.4309 3.5169 3.5169 8.0980 8.0980 8.1407 8.1407 8.2891 8.2891 8.3150 8.3150 8.4042 8.4042 8.8010 8.8010 8.8527 8.8527 8.9650 8.9650 9.2684 9.2684 9.3033 9.3033 10.9211 10.9211 11.2129 11.2129 11.5988 11.5988 13.2993 13.2993 13.6050 13.6050 16.0259 16.0259 16.1040 16.1040 k = 0.0708 0.0409 0.1155 ( 2601 PWs) bands (ev): 2.7732 2.7732 2.7807 2.7807 3.4077 3.4077 3.4226 3.4226 3.4261 3.4261 3.4816 3.4816 8.1090 8.1090 8.1511 8.1511 8.2830 8.2830 8.3112 8.3112 8.3916 8.3916 8.8061 8.8061 8.8491 8.8491 8.9640 8.9640 9.2789 9.2789 9.3099 9.3099 10.9944 10.9944 11.2509 11.2509 11.5695 11.5695 13.3652 13.3652 13.6249 13.6249 15.9727 15.9727 16.1249 16.1249 k = 0.0637 0.0368 0.1040 ( 2605 PWs) bands (ev): 2.7723 2.7723 2.7784 2.7784 3.4032 3.4032 3.4191 3.4191 3.4221 3.4221 3.4536 3.4536 8.1203 8.1203 8.1610 8.1610 8.2773 8.2773 8.3072 8.3072 8.3793 8.3793 8.8107 8.8107 8.8456 8.8456 8.9631 8.9631 9.2888 9.2888 9.3155 9.3155 11.0647 11.0647 11.2848 11.2848 11.5427 11.5427 13.4288 13.4288 13.6453 13.6453 15.9079 15.9079 16.1584 16.1584 k = 0.0566 0.0327 0.0924 ( 2609 PWs) bands (ev): 2.7714 2.7714 2.7763 2.7763 3.3909 3.3909 3.4145 3.4145 3.4201 3.4201 3.4364 3.4364 8.1319 8.1319 8.1706 8.1706 8.2719 8.2719 8.3027 8.3027 8.3674 8.3674 8.8146 8.8146 8.8423 8.8423 8.9623 8.9623 9.2980 9.2980 9.3203 9.3203 11.1310 11.1310 11.3145 11.3145 11.5184 11.5184 13.4894 13.4894 13.6656 13.6656 15.8436 15.8436 16.1913 16.1913 k = 0.0495 0.0286 0.0809 ( 2615 PWs) bands (ev): 2.7706 2.7706 2.7744 2.7744 3.3711 3.3711 3.4121 3.4121 3.4187 3.4187 3.4281 3.4281 8.1437 8.1437 8.1797 8.1797 8.2670 8.2670 8.2976 8.2976 8.3561 8.3561 8.8180 8.8180 8.8393 8.8393 8.9616 8.9616 9.3063 9.3063 9.3243 9.3243 11.1923 11.1923 11.3402 11.3402 11.4969 11.4969 13.5463 13.5463 13.6852 13.6852 15.7827 15.7827 16.2196 16.2196 k = 0.0425 0.0245 0.0693 ( 2623 PWs) bands (ev): 2.7698 2.7698 2.7727 2.7727 3.3505 3.3505 3.4108 3.4108 3.4175 3.4175 3.4235 3.4235 8.1558 8.1558 8.1882 8.1882 8.2623 8.2623 8.2917 8.2917 8.3457 8.3457 8.8208 8.8208 8.8364 8.8364 8.9611 8.9611 9.3139 9.3139 9.3276 9.3276 11.2477 11.2477 11.3619 11.3619 11.4784 11.4784 13.5984 13.5984 13.7035 13.7035 15.7267 15.7267 16.2401 16.2401 k = 0.0354 0.0204 0.0578 ( 2631 PWs) bands (ev): 2.7691 2.7691 2.7711 2.7711 3.3320 3.3320 3.4098 3.4098 3.4166 3.4166 3.4204 3.4204 8.1680 8.1680 8.1961 8.1961 8.2579 8.2579 8.2848 8.2848 8.3365 8.3365 8.8231 8.8231 8.8339 8.8339 8.9606 8.9606 9.3205 9.3205 9.3303 9.3303 11.2961 11.2961 11.3795 11.3795 11.4633 11.4633 13.6450 13.6450 13.7199 13.7199 15.6767 15.6767 16.2507 16.2507 k = 0.0283 0.0163 0.0462 ( 2631 PWs) bands (ev): 2.7686 2.7686 2.7699 2.7699 3.3164 3.3164 3.4092 3.4092 3.4158 3.4158 3.4182 3.4182 8.1803 8.1803 8.2034 8.2034 8.2539 8.2539 8.2768 8.2768 8.3290 8.3290 8.8249 8.8249 8.8318 8.8318 8.9603 8.9603 9.3261 9.3261 9.3325 9.3325 11.3364 11.3364 11.3929 11.3929 11.4524 11.4524 13.6849 13.6849 13.7340 13.7340 15.6340 15.6340 16.2521 16.2521 k = 0.0212 0.0123 0.0347 ( 2637 PWs) bands (ev): 2.7682 2.7682 2.7689 2.7689 3.3041 3.3041 3.4087 3.4087 3.4152 3.4152 3.4165 3.4165 8.1926 8.1926 8.2099 8.2099 8.2502 8.2502 8.2677 8.2677 8.3231 8.3231 8.8262 8.8262 8.8301 8.8301 8.9600 8.9600 9.3305 9.3305 9.3342 9.3342 11.3676 11.3676 11.4012 11.4012 11.4468 11.4468 13.7172 13.7172 13.7454 13.7454 15.5996 15.5996 16.2474 16.2474 k = 0.0142 0.0082 0.0231 ( 2637 PWs) bands (ev): 2.7679 2.7679 2.7682 2.7682 3.2953 3.2953 3.4084 3.4084 3.4148 3.4148 3.4154 3.4154 8.2045 8.2045 8.2153 8.2153 8.2468 8.2468 8.2579 8.2579 8.3191 8.3191 8.8271 8.8271 8.8288 8.8288 8.9598 8.9598 9.3337 9.3337 9.3354 9.3354 11.3890 11.3890 11.4046 11.4046 11.4467 11.4467 13.7410 13.7410 13.7537 13.7537 15.5743 15.5743 16.2406 16.2406 k = 0.0071 0.0041 0.0116 ( 2637 PWs) bands (ev): 2.7677 2.7677 2.7678 2.7678 3.2900 3.2900 3.4081 3.4081 3.4146 3.4146 3.4147 3.4147 8.2151 8.2151 8.2192 8.2192 8.2442 8.2442 8.2483 8.2483 8.3167 8.3167 8.8277 8.8277 8.8281 8.8281 8.9597 8.9597 9.3356 9.3356 9.3361 9.3361 11.4010 11.4010 11.4049 11.4049 11.4494 11.4494 13.7556 13.7556 13.7588 13.7588 15.5588 15.5588 16.2351 16.2351 k = 0.0000 0.0000 0.0000 ( 2637 PWs) bands (ev): 2.7677 2.7677 2.7677 2.7677 3.2882 3.2882 3.4081 3.4081 3.4145 3.4145 3.4145 3.4145 8.2206 8.2206 8.2206 8.2206 8.2432 8.2432 8.2432 8.2432 8.3159 8.3159 8.8278 8.8278 8.8278 8.8278 8.9597 8.9597 9.3363 9.3363 9.3363 9.3363 11.4047 11.4047 11.4047 11.4047 11.4509 11.4509 13.7605 13.7605 13.7605 13.7605 15.5537 15.5537 16.2330 16.2330 k = 0.0000 0.0000 0.0000 ( 2637 PWs) bands (ev): 2.7677 2.7677 2.7677 2.7677 3.2882 3.2882 3.4081 3.4081 3.4145 3.4145 3.4145 3.4145 8.2206 8.2206 8.2206 8.2206 8.2432 8.2432 8.2432 8.2432 8.3159 8.3159 8.8278 8.8278 8.8278 8.8278 8.9597 8.9597 9.3363 9.3363 9.3363 9.3363 11.4047 11.4047 11.4047 11.4047 11.4509 11.4509 13.7605 13.7605 13.7605 13.7605 15.5537 15.5537 16.2330 16.2330 k = 0.0116 0.0067 0.0047 ( 2637 PWs) bands (ev): 2.7678 2.7678 2.7678 2.7678 3.2900 3.2900 3.4081 3.4081 3.4146 3.4146 3.4147 3.4147 8.2158 8.2158 8.2183 8.2183 8.2445 8.2445 8.2482 8.2482 8.3167 8.3167 8.8276 8.8276 8.8281 8.8281 8.9597 8.9597 9.3358 9.3358 9.3359 9.3359 11.4005 11.4005 11.4053 11.4053 11.4495 11.4495 13.7570 13.7570 13.7574 13.7574 15.5589 15.5589 16.2351 16.2351 k = 0.0233 0.0134 0.0095 ( 2637 PWs) bands (ev): 2.7681 2.7681 2.7681 2.7681 3.2954 3.2954 3.4084 3.4084 3.4148 3.4148 3.4154 3.4154 8.2065 8.2065 8.2126 8.2126 8.2471 8.2471 8.2582 8.2582 8.3191 8.3191 8.8270 8.8270 8.8289 8.8289 8.9598 8.9598 9.3344 9.3344 9.3346 9.3346 11.3862 11.3862 11.4070 11.4070 11.4469 11.4469 13.7465 13.7465 13.7479 13.7479 15.5745 15.5745 16.2404 16.2404 k = 0.0349 0.0201 0.0142 ( 2637 PWs) bands (ev): 2.7685 2.7685 2.7686 2.7686 3.3043 3.3043 3.4088 3.4088 3.4153 3.4153 3.4164 3.4164 8.1964 8.1964 8.2053 8.2053 8.2491 8.2491 8.2695 8.2695 8.3232 8.3232 8.8260 8.8260 8.8302 8.8302 8.9600 8.9600 9.3321 9.3321 9.3324 9.3324 11.3593 11.3593 11.4098 11.4098 11.4459 11.4459 13.7294 13.7294 13.7326 13.7326 15.5999 15.5999 16.2459 16.2459 k = 0.0465 0.0269 0.0190 ( 2631 PWs) bands (ev): 2.7692 2.7692 2.7694 2.7694 3.3168 3.3168 3.4094 3.4094 3.4159 3.4159 3.4179 3.4179 8.1862 8.1862 8.1975 8.1975 8.2498 8.2498 8.2812 8.2812 8.3287 8.3287 8.8246 8.8246 8.8320 8.8320 8.9603 8.9603 9.3289 9.3289 9.3295 9.3295 11.3200 11.3200 11.4137 11.4137 11.4470 11.4470 13.7063 13.7063 13.7117 13.7117 15.6340 15.6340 16.2465 16.2465 k = 0.0581 0.0336 0.0237 ( 2631 PWs) bands (ev): 2.7701 2.7701 2.7702 2.7702 3.3325 3.3325 3.4102 3.4102 3.4168 3.4168 3.4199 3.4199 8.1762 8.1762 8.1894 8.1894 8.2490 8.2490 8.2932 8.2932 8.3356 8.3356 8.8229 8.8229 8.8341 8.8341 8.9606 8.9606 9.3248 9.3248 9.3257 9.3257 11.2690 11.2690 11.4186 11.4186 11.4498 11.4498 13.6781 13.6781 13.6859 13.6859 15.6751 15.6751 16.2368 16.2368 k = 0.0698 0.0403 0.0285 ( 2622 PWs) bands (ev): 2.7712 2.7712 2.7714 2.7714 3.3513 3.3513 3.4116 3.4116 3.4182 3.4182 3.4222 3.4222 8.1665 8.1665 8.1814 8.1814 8.2470 8.2470 8.3053 8.3053 8.3435 8.3435 8.8207 8.8207 8.8365 8.8365 8.9611 8.9611 9.3199 9.3199 9.3211 9.3211 11.2076 11.2076 11.4244 11.4244 11.4537 11.4537 13.6454 13.6454 13.6560 13.6560 15.7205 15.7205 16.2151 16.2151 k = 0.0814 0.0470 0.0332 ( 2622 PWs) bands (ev): 2.7724 2.7724 2.7726 2.7726 3.3720 3.3720 3.4137 3.4137 3.4207 3.4207 3.4249 3.4249 8.1572 8.1572 8.1736 8.1736 8.2437 8.2437 8.3174 8.3174 8.3521 8.3521 8.8181 8.8181 8.8390 8.8390 8.9618 8.9618 9.3140 9.3140 9.3158 9.3158 11.1368 11.1368 11.4310 11.4310 11.4583 11.4583 13.6093 13.6093 13.6226 13.6226 15.7649 15.7649 16.1864 16.1864 k = 0.0930 0.0537 0.0380 ( 2604 PWs) bands (ev): 2.7739 2.7739 2.7742 2.7742 3.3909 3.3909 3.4165 3.4165 3.4281 3.4281 3.4284 3.4284 8.1485 8.1485 8.1661 8.1661 8.2394 8.2394 8.3296 8.3296 8.3611 8.3611 8.8152 8.8152 8.8416 8.8416 8.9626 8.9626 9.3076 9.3076 9.3100 9.3100 11.0576 11.0576 11.4382 11.4382 11.4636 11.4636 13.5706 13.5706 13.5867 13.5867 15.7992 15.7992 16.1628 16.1628 k = 0.1047 0.0604 0.0427 ( 2604 PWs) bands (ev): 2.7754 2.7754 2.7757 2.7757 3.4015 3.4015 3.4188 3.4188 3.4316 3.4316 3.4485 3.4485 8.1401 8.1401 8.1590 8.1590 8.2342 8.2342 8.3417 8.3417 8.3703 8.3703 8.8119 8.8119 8.8443 8.8443 8.9636 8.9636 9.3002 9.3002 9.3032 9.3032 10.9709 10.9709 11.4459 11.4459 11.4693 11.4693 13.5303 13.5303 13.5490 13.5490 15.8093 15.8093 16.1606 16.1606 k = 0.1163 0.0671 0.0475 ( 2607 PWs) bands (ev): 2.7771 2.7771 2.7772 2.7772 3.4058 3.4058 3.4207 3.4207 3.4353 3.4353 3.4790 3.4790 8.1322 8.1322 8.1523 8.1523 8.2284 8.2284 8.3536 8.3536 8.3794 8.3794 8.8082 8.8082 8.8468 8.8468 8.9647 8.9647 9.2919 9.2919 9.2957 9.2957 10.8775 10.8775 11.4539 11.4539 11.4751 11.4751 13.4893 13.4893 13.5102 13.5102 15.7870 15.7870 16.1893 16.1893 k = 0.1279 0.0738 0.0522 ( 2601 PWs) bands (ev): 2.7790 2.7790 2.7790 2.7790 3.4082 3.4082 3.4225 3.4225 3.4395 3.4395 3.5155 3.5155 8.1249 8.1249 8.1461 8.1461 8.2220 8.2220 8.3654 8.3654 8.3885 8.3885 8.8042 8.8042 8.8493 8.8493 8.9661 8.9661 9.2830 9.2830 9.2878 9.2878 10.7785 10.7785 11.4620 11.4620 11.4810 11.4810 13.4483 13.4483 13.4712 13.4712 15.7389 15.7389 16.2422 16.2422 k = 0.1395 0.0806 0.0570 ( 2604 PWs) bands (ev): 2.7808 2.7808 2.7810 2.7810 3.4100 3.4100 3.4243 3.4243 3.4439 3.4439 3.5563 3.5563 8.1180 8.1180 8.1403 8.1403 8.2151 8.2151 8.3770 8.3770 8.3973 8.3973 8.7999 8.7999 8.8516 8.8516 8.9676 8.9676 9.2733 9.2733 9.2791 9.2791 10.6745 10.6745 11.4700 11.4700 11.4866 11.4866 13.4080 13.4080 13.4327 13.4327 15.6759 15.6759 16.3070 16.3070 k = 0.1512 0.0873 0.0617 ( 2595 PWs) bands (ev): 2.7827 2.7827 2.7832 2.7832 3.4116 3.4116 3.4263 3.4263 3.4486 3.4486 3.6010 3.6010 8.1118 8.1118 8.1351 8.1351 8.2078 8.2078 8.3884 8.3884 8.4057 8.4057 8.7953 8.7953 8.8537 8.8537 8.9694 8.9694 9.2630 9.2630 9.2699 9.2699 10.5664 10.5664 11.4778 11.4778 11.4918 11.4918 13.3694 13.3694 13.3953 13.3953 15.6046 15.6046 16.3742 16.3742 k = 0.1628 0.0940 0.0665 ( 2583 PWs) bands (ev): 2.7848 2.7848 2.7855 2.7855 3.4132 3.4132 3.4285 3.4285 3.4537 3.4537 3.6493 3.6493 8.1062 8.1062 8.1304 8.1304 8.2001 8.2001 8.3995 8.3995 8.4137 8.4137 8.7905 8.7905 8.8556 8.8556 8.9711 8.9711 9.2522 9.2522 9.2604 9.2604 10.4549 10.4549 11.4849 11.4849 11.4963 11.4963 13.3328 13.3328 13.3599 13.3599 15.5287 15.5287 16.4361 16.4361 k = 0.1744 0.1007 0.0712 ( 2583 PWs) bands (ev): 2.7868 2.7868 2.7878 2.7878 3.4147 3.4147 3.4305 3.4305 3.4589 3.4589 3.7012 3.7012 8.1011 8.1011 8.1261 8.1261 8.1919 8.1919 8.4102 8.4102 8.4212 8.4212 8.7853 8.7853 8.8573 8.8573 8.9728 8.9728 9.2407 9.2407 9.2503 9.2503 10.3408 10.3408 11.4911 11.4911 11.4998 11.4998 13.2990 13.2990 13.3268 13.3268 15.4499 15.4499 16.4851 16.4851 k = 0.1860 0.1074 0.0760 ( 2583 PWs) bands (ev): 2.7889 2.7889 2.7902 2.7902 3.4164 3.4164 3.4327 3.4327 3.4644 3.4644 3.7565 3.7565 8.0967 8.0967 8.1219 8.1219 8.1835 8.1835 8.4206 8.4206 8.4281 8.4281 8.7799 8.7799 8.8588 8.8588 8.9744 8.9744 9.2288 9.2288 9.2398 9.2398 10.2249 10.2249 11.4963 11.4963 11.5023 11.5023 13.2684 13.2684 13.2968 13.2968 15.3689 15.3689 16.5145 16.5145 k = 0.1977 0.1141 0.0807 ( 2577 PWs) bands (ev): 2.7910 2.7910 2.7928 2.7928 3.4182 3.4182 3.4350 3.4350 3.4701 3.4701 3.8151 3.8151 8.0928 8.0928 8.1178 8.1178 8.1749 8.1749 8.4307 8.4307 8.4343 8.4343 8.7743 8.7743 8.8603 8.8603 8.9758 8.9758 9.2164 9.2164 9.2291 9.2291 10.1079 10.1079 11.5001 11.5001 11.5034 11.5034 13.2416 13.2416 13.2702 13.2702 15.2863 15.2863 16.5191 16.5191 k = 0.2093 0.1208 0.0854 ( 2586 PWs) bands (ev): 2.7931 2.7931 2.7952 2.7952 3.4200 3.4200 3.4372 3.4372 3.4758 3.4758 3.8771 3.8771 8.0895 8.0895 8.1130 8.1130 8.1664 8.1664 8.4398 8.4398 8.4402 8.4402 8.7686 8.7686 8.8616 8.8616 8.9768 8.9768 9.2036 9.2036 9.2179 9.2179 9.9907 9.9907 11.5024 11.5024 11.5031 11.5031 13.2188 13.2188 13.2475 13.2475 15.2021 15.2021 16.4978 16.4978 k = 0.2209 0.1276 0.0902 ( 2584 PWs) bands (ev): 2.7953 2.7953 2.7978 2.7978 3.4220 3.4220 3.4395 3.4395 3.4818 3.4818 3.9423 3.9423 8.0869 8.0869 8.1068 8.1068 8.1586 8.1586 8.4446 8.4446 8.4494 8.4494 8.7627 8.7627 8.8628 8.8628 8.9772 8.9772 9.1905 9.1905 9.2066 9.2066 9.8741 9.8741 11.5011 11.5011 11.5030 11.5030 13.2004 13.2004 13.2291 13.2291 15.1163 15.1163 16.4540 16.4540 k = 0.2326 0.1343 0.0949 ( 2584 PWs) bands (ev): 2.7975 2.7975 2.8004 2.8004 3.4241 3.4241 3.4419 3.4419 3.4878 3.4878 4.0107 4.0107 8.0848 8.0848 8.0980 8.0980 8.1523 8.1523 8.4486 8.4486 8.4580 8.4580 8.7567 8.7567 8.8639 8.8639 8.9768 8.9768 9.1771 9.1771 9.1952 9.1952 9.7592 9.7592 11.4974 11.4974 11.5018 11.5018 13.1866 13.1866 13.2153 13.2153 15.0290 15.0290 16.3937 16.3937 k = 0.2442 0.1410 0.0997 ( 2578 PWs) bands (ev): 2.7997 2.7997 2.8031 2.8031 3.4264 3.4264 3.4443 3.4443 3.4940 3.4940 4.0822 4.0822 8.0833 8.0833 8.0855 8.0855 8.1482 8.1482 8.4518 8.4518 8.4663 8.4663 8.7507 8.7507 8.8650 8.8650 8.9752 8.9752 9.1632 9.1632 9.1836 9.1836 9.6474 9.6474 11.4919 11.4919 11.4986 11.4986 13.1775 13.1775 13.2061 13.2061 14.9401 14.9401 16.3233 16.3233 k = 0.2558 0.1477 0.1044 ( 2572 PWs) bands (ev): 2.8020 2.8020 2.8057 2.8057 3.4288 3.4288 3.4467 3.4467 3.5002 3.5002 4.1567 4.1567 8.0686 8.0686 8.0824 8.0824 8.1463 8.1463 8.4541 8.4541 8.4740 8.4740 8.7446 8.7446 8.8660 8.8660 8.9718 8.9718 9.1488 9.1488 9.1721 9.1721 9.5405 9.5405 11.4847 11.4847 11.4935 11.4935 13.1732 13.1732 13.2017 13.2017 14.8497 14.8497 16.2480 16.2480 k = 0.2674 0.1544 0.1092 ( 2569 PWs) bands (ev): 2.8042 2.8042 2.8083 2.8083 3.4313 3.4313 3.4492 3.4492 3.5065 3.5065 4.2342 4.2342 8.0468 8.0468 8.0819 8.0819 8.1463 8.1463 8.4555 8.4555 8.4812 8.4812 8.7385 8.7385 8.8667 8.8667 8.9661 8.9661 9.1329 9.1329 9.1604 9.1604 9.4410 9.4410 11.4759 11.4759 11.4865 11.4865 13.1735 13.1735 13.2021 13.2021 14.7580 14.7580 16.1716 16.1716 k = 0.2791 0.1611 0.1139 ( 2563 PWs) bands (ev): 2.8064 2.8064 2.8110 2.8110 3.4339 3.4339 3.4515 3.4515 3.5127 3.5127 4.3145 4.3145 8.0197 8.0197 8.0820 8.0820 8.1478 8.1478 8.4560 8.4560 8.4878 8.4878 8.7325 8.7325 8.8671 8.8671 8.9568 8.9568 9.1143 9.1143 9.1490 9.1490 9.3529 9.3529 11.4655 11.4655 11.4777 11.4777 13.1784 13.1784 13.2071 13.2071 14.6653 14.6653 16.0966 16.0966 k = 0.2907 0.1678 0.1187 ( 2563 PWs) bands (ev): 2.8085 2.8085 2.8135 2.8135 3.4365 3.4365 3.4539 3.4539 3.5188 3.5188 4.3977 4.3977 7.9864 7.9864 8.0826 8.0826 8.1504 8.1504 8.4554 8.4554 8.4939 8.4939 8.7266 8.7266 8.8666 8.8666 8.9425 8.9425 9.0907 9.0907 9.1375 9.1375 9.2818 9.2818 11.4538 11.4538 11.4673 11.4673 13.1875 13.1875 13.2165 13.2165 14.5719 14.5719 16.0248 16.0248 k = 0.3023 0.1745 0.1234 ( 2569 PWs) bands (ev): 2.8105 2.8105 2.8160 2.8160 3.4391 3.4391 3.4562 3.4562 3.5248 3.5248 4.4836 4.4836 7.9460 7.9460 8.0836 8.0836 8.1540 8.1540 8.4536 8.4536 8.4994 8.4994 8.7207 8.7207 8.8637 8.8637 8.9215 8.9215 9.0618 9.0618 9.1262 9.1262 9.2323 9.2323 11.4410 11.4410 11.4555 11.4555 13.2006 13.2006 13.2301 13.2301 14.4784 14.4784 15.9572 15.9572 k = 0.3140 0.1813 0.1282 ( 2569 PWs) bands (ev): 2.8126 2.8126 2.8184 2.8184 3.4418 3.4418 3.4584 3.4584 3.5308 3.5308 4.5721 4.5721 7.8977 7.8977 8.0849 8.0849 8.1582 8.1582 8.4508 8.4508 8.5044 8.5044 8.7150 8.7150 8.8527 8.8527 8.8979 8.8979 9.0326 9.0326 9.1153 9.1153 9.2031 9.2031 11.4273 11.4273 11.4425 11.4425 13.2172 13.2172 13.2474 13.2474 14.3855 14.3855 15.8943 15.8943 k = 0.3256 0.1880 0.1329 ( 2569 PWs) bands (ev): 2.8145 2.8145 2.8207 2.8207 3.4445 3.4445 3.4606 3.4606 3.5365 3.5365 4.6632 4.6632 7.8406 7.8406 8.0867 8.0867 8.1631 8.1631 8.4468 8.4468 8.5088 8.5088 8.7096 8.7096 8.8231 8.8231 8.8846 8.8846 9.0082 9.0082 9.1045 9.1045 9.1873 9.1873 11.4130 11.4130 11.4287 11.4287 13.2370 13.2370 13.2680 13.2680 14.2938 14.2938 15.8364 15.8364 k = 0.3372 0.1947 0.1377 ( 2569 PWs) bands (ev): 2.8164 2.8164 2.8230 2.8230 3.4472 3.4472 3.4627 3.4627 3.5420 3.5420 4.7567 4.7567 7.7742 7.7742 8.0887 8.0887 8.1684 8.1684 8.4417 8.4417 8.5128 8.5128 8.7043 8.7043 8.7827 8.7827 8.8796 8.8796 8.9890 8.9890 9.0942 9.0942 9.1795 9.1795 11.3983 11.3983 11.4143 11.4143 13.2596 13.2596 13.2915 13.2915 14.2041 14.2041 15.7835 15.7835 k = 0.3488 0.2014 0.1424 ( 2563 PWs) bands (ev): 2.8183 2.8183 2.8252 2.8252 3.4499 3.4499 3.4647 3.4647 3.5475 3.5475 4.8526 4.8526 7.6987 7.6987 8.0910 8.0910 8.1741 8.1741 8.4357 8.4357 8.5163 8.5163 8.6992 8.6992 8.7429 8.7429 8.8765 8.8765 8.9738 8.9738 9.0843 9.0843 9.1763 9.1763 11.3835 11.3835 11.3995 11.3995 13.2842 13.2842 13.3174 13.3174 14.1170 14.1170 15.7355 15.7355 k = 0.3605 0.2081 0.1472 ( 2563 PWs) bands (ev): 2.8200 2.8200 2.8273 2.8273 3.4524 3.4524 3.4667 3.4667 3.5525 3.5525 4.9507 4.9507 7.6146 7.6146 8.0935 8.0935 8.1801 8.1801 8.4287 8.4287 8.5193 8.5193 8.6944 8.6944 8.7080 8.7080 8.8730 8.8730 8.9612 8.9612 9.0748 9.0748 9.1760 9.1760 11.3688 11.3688 11.3848 11.3848 13.3105 13.3105 13.3451 13.3451 14.0334 14.0334 15.6923 15.6923 k = 0.3721 0.2148 0.1519 ( 2563 PWs) bands (ev): 2.8216 2.8216 2.8292 2.8292 3.4549 3.4549 3.4685 3.4685 3.5573 3.5573 5.0510 5.0510 7.5228 7.5228 8.0961 8.0961 8.1861 8.1861 8.4214 8.4214 8.5219 8.5219 8.6790 8.6790 8.6899 8.6899 8.8685 8.8685 8.9511 8.9511 9.0658 9.0658 9.1777 9.1777 11.3544 11.3544 11.3702 11.3702 13.3378 13.3378 13.3740 13.3740 13.9539 13.9539 15.6535 15.6535 k = 0.3837 0.2215 0.1567 ( 2563 PWs) bands (ev): 2.8232 2.8232 2.8310 2.8310 3.4573 3.4573 3.4702 3.4702 3.5617 3.5617 5.1533 5.1533 7.4246 7.4246 8.0987 8.0987 8.1920 8.1920 8.4139 8.4139 8.5241 8.5241 8.6557 8.6557 8.6856 8.6856 8.8626 8.8626 8.9432 8.9432 9.0575 9.0575 9.1807 9.1807 11.3407 11.3407 11.3561 11.3561 13.3654 13.3654 13.4034 13.4034 13.8792 13.8792 15.6189 15.6189 k = 0.3953 0.2283 0.1614 ( 2566 PWs) bands (ev): 2.8246 2.8246 2.8327 2.8327 3.4595 3.4595 3.4718 3.4718 3.5659 3.5659 5.2575 5.2575 7.3211 7.3211 8.1014 8.1014 8.1978 8.1978 8.4068 8.4068 8.5260 8.5260 8.6374 8.6374 8.6815 8.6815 8.8554 8.8554 8.9375 8.9375 9.0497 9.0497 9.1843 9.1843 11.3277 11.3277 11.3428 11.3428 13.3926 13.3926 13.4329 13.4329 13.8102 13.8102 15.5884 15.5884 k = 0.4070 0.2350 0.1661 ( 2566 PWs) bands (ev): 2.8259 2.8259 2.8342 2.8342 3.4615 3.4615 3.4732 3.4732 3.5697 3.5697 5.3634 5.3634 7.2135 7.2135 8.1039 8.1039 8.2032 8.2032 8.4002 8.4002 8.5276 8.5276 8.6231 8.6231 8.6779 8.6779 8.8472 8.8472 8.9335 8.9335 9.0427 9.0427 9.1885 9.1885 11.3157 11.3157 11.3303 11.3303 13.4186 13.4186 13.4616 13.4616 13.7476 13.7476 15.5617 15.5617 k = 0.4186 0.2417 0.1709 ( 2563 PWs) bands (ev): 2.8271 2.8271 2.8355 2.8355 3.4634 3.4634 3.4745 3.4745 3.5731 3.5731 5.4708 5.4708 7.1029 7.1029 8.1064 8.1064 8.2083 8.2083 8.3946 8.3946 8.5291 8.5291 8.6120 8.6120 8.6745 8.6745 8.8385 8.8385 8.9310 8.9310 9.0364 9.0364 9.1929 9.1929 11.3047 11.3047 11.3188 11.3188 13.4423 13.4423 13.4891 13.4891 13.6922 13.6922 15.5386 15.5386 k = 0.4302 0.2484 0.1756 ( 2563 PWs) bands (ev): 2.8281 2.8281 2.8367 2.8367 3.4651 3.4651 3.4756 3.4756 3.5761 3.5761 5.5796 5.5796 6.9902 6.9902 8.1087 8.1087 8.2127 8.2127 8.3898 8.3898 8.5302 8.5302 8.6035 8.6035 8.6714 8.6714 8.8298 8.8298 8.9293 8.9293 9.0308 9.0308 9.1972 9.1972 11.2950 11.2950 11.3087 11.3087 13.4624 13.4624 13.5145 13.5145 13.6454 13.6454 15.5189 15.5189 k = 0.4419 0.2551 0.1804 ( 2563 PWs) bands (ev): 2.8290 2.8290 2.8377 2.8377 3.4665 3.4665 3.4766 3.4766 3.5787 3.5787 5.6894 5.6894 6.8763 6.8763 8.1107 8.1107 8.2166 8.2166 8.3860 8.3860 8.5312 8.5312 8.5970 8.5970 8.6688 8.6688 8.8217 8.8217 8.9284 8.9284 9.0261 9.0261 9.2012 9.2012 11.2866 11.2866 11.2998 11.2998 13.4764 13.4764 13.5374 13.5374 13.6093 13.6093 15.5024 15.5024 k = 0.4535 0.2618 0.1851 ( 2563 PWs) bands (ev): 2.8298 2.8298 2.8386 2.8386 3.4677 3.4677 3.4774 3.4774 3.5808 3.5808 5.7997 5.7997 6.7621 6.7621 8.1124 8.1124 8.2197 8.2197 8.3832 8.3832 8.5319 8.5319 8.5921 8.5921 8.6665 8.6665 8.8145 8.8145 8.9278 8.9278 9.0222 9.0222 9.2047 9.2047 11.2795 11.2795 11.2924 11.2924 13.4814 13.4814 13.5570 13.5570 13.5867 13.5867 15.4892 15.4892 k = 0.4651 0.2685 0.1899 ( 2548 PWs) bands (ev): 2.8304 2.8304 2.8393 2.8393 3.4687 3.4687 3.4781 3.4781 3.5826 3.5826 5.9095 5.9095 6.6490 6.6490 8.1139 8.1139 8.2222 8.2222 8.3812 8.3812 8.5326 8.5326 8.5885 8.5885 8.6648 8.6648 8.8086 8.8086 8.9276 8.9276 9.0193 9.0193 9.2076 9.2076 11.2740 11.2740 11.2866 11.2866 13.4767 13.4767 13.5730 13.5730 13.5781 13.5781 15.4789 15.4789 k = 0.4767 0.2752 0.1946 ( 2536 PWs) bands (ev): 2.8310 2.8310 2.8398 2.8398 3.4695 3.4695 3.4786 3.4786 3.5839 3.5839 6.0164 6.0164 6.5396 6.5396 8.1149 8.1149 8.2240 8.2240 8.3800 8.3800 8.5331 8.5331 8.5862 8.5862 8.6635 8.6635 8.8043 8.8043 8.9275 8.9275 9.0171 9.0171 9.2098 9.2098 11.2701 11.2701 11.2824 11.2824 13.4676 13.4676 13.5777 13.5777 13.5847 13.5847 15.4717 15.4717 k = 0.4884 0.2820 0.1994 ( 2536 PWs) bands (ev): 2.8313 2.8313 2.8401 2.8401 3.4699 3.4699 3.4789 3.4789 3.5846 3.5846 6.1122 6.1122 6.4422 6.4422 8.1155 8.1155 8.2250 8.2250 8.3792 8.3792 8.5333 8.5333 8.5848 8.5848 8.6627 8.6627 8.8016 8.8016 8.9274 8.9274 9.0158 9.0158 9.2112 9.2112 11.2676 11.2676 11.2799 11.2799 13.4602 13.4602 13.5795 13.5795 13.5919 13.5919 15.4674 15.4674 k = 0.5000 0.2887 0.2041 ( 2536 PWs) bands (ev): 2.8314 2.8314 2.8402 2.8402 3.4701 3.4701 3.4790 3.4790 3.5849 3.5849 6.1609 6.1609 6.3929 6.3929 8.1157 8.1157 8.2253 8.2253 8.3790 8.3790 8.5334 8.5334 8.5843 8.5843 8.6624 8.6624 8.8006 8.8006 8.9274 8.9274 9.0154 9.0154 9.2116 9.2116 11.2668 11.2668 11.2790 11.2790 13.4575 13.4575 13.5804 13.5804 13.5943 13.5943 15.4660 15.4660 k = 0.5000 0.2887 0.2041 ( 2536 PWs) bands (ev): 2.8314 2.8314 2.8402 2.8402 3.4701 3.4701 3.4790 3.4790 3.5849 3.5849 6.1609 6.1609 6.3929 6.3929 8.1157 8.1157 8.2253 8.2253 8.3790 8.3790 8.5334 8.5334 8.5843 8.5843 8.6624 8.6624 8.8006 8.8006 8.9274 8.9274 9.0154 9.0154 9.2116 9.2116 11.2668 11.2668 11.2790 11.2790 13.4575 13.4575 13.5804 13.5804 13.5943 13.5943 15.4660 15.4660 k = 0.5040 0.2770 0.2107 ( 2536 PWs) bands (ev): 2.8313 2.8313 2.8402 2.8402 3.4700 3.4700 3.4790 3.4790 3.5847 3.5847 6.1613 6.1613 6.3950 6.3950 8.1158 8.1158 8.2251 8.2251 8.3792 8.3792 8.5334 8.5334 8.5836 8.5836 8.6634 8.6634 8.8012 8.8012 8.9273 8.9273 9.0153 9.0153 9.2117 9.2117 11.2650 11.2650 11.2776 11.2776 13.4560 13.4560 13.5793 13.5793 13.5934 13.5934 15.4723 15.4723 k = 0.5081 0.2654 0.2173 ( 2538 PWs) bands (ev): 2.8313 2.8313 2.8401 2.8401 3.4698 3.4698 3.4790 3.4790 3.5841 3.5841 6.1623 6.1623 6.4012 6.4012 8.1160 8.1160 8.2246 8.2246 8.3797 8.3797 8.5335 8.5335 8.5815 8.5815 8.6663 8.6663 8.8027 8.8027 8.9268 8.9268 9.0150 9.0150 9.2118 9.2118 11.2568 11.2568 11.2760 11.2760 13.4513 13.4513 13.5758 13.5758 13.5912 13.5912 15.4911 15.4911 k = 0.5121 0.2538 0.2239 ( 2544 PWs) bands (ev): 2.8312 2.8312 2.8399 2.8399 3.4694 3.4694 3.4790 3.4790 3.5831 3.5831 6.1641 6.1641 6.4115 6.4115 8.1161 8.1161 8.2238 8.2238 8.3805 8.3805 8.5335 8.5335 8.5784 8.5784 8.6706 8.6706 8.8051 8.8051 8.9259 8.9259 9.0146 9.0146 9.2121 9.2121 11.2404 11.2404 11.2763 11.2763 13.4427 13.4427 13.5700 13.5700 13.5885 13.5885 15.5219 15.5219 k = 0.5161 0.2421 0.2305 ( 2548 PWs) bands (ev): 2.8310 2.8310 2.8397 2.8397 3.4688 3.4688 3.4791 3.4791 3.5817 3.5817 6.1666 6.1666 6.4259 6.4259 8.1159 8.1159 8.2231 8.2231 8.3815 8.3815 8.5334 8.5334 8.5751 8.5751 8.6760 8.6760 8.8084 8.8084 8.9248 8.9248 9.0141 9.0141 9.2124 9.2124 11.2167 11.2167 11.2778 11.2778 13.4293 13.4293 13.5622 13.5622 13.5861 13.5861 15.5640 15.5640 k = 0.5202 0.2305 0.2370 ( 2552 PWs) bands (ev): 2.8307 2.8307 2.8395 2.8395 3.4681 3.4681 3.4793 3.4793 3.5800 3.5800 6.1698 6.1698 6.4442 6.4442 8.1151 8.1151 8.2226 8.2226 8.3827 8.3827 8.5332 8.5332 8.5721 8.5721 8.6821 8.6821 8.8123 8.8123 8.9236 8.9236 9.0135 9.0135 9.2129 9.2129 11.1866 11.1866 11.2800 11.2800 13.4103 13.4103 13.5531 13.5531 13.5847 13.5847 15.6161 15.6161 k = 0.5242 0.2188 0.2436 ( 2553 PWs) bands (ev): 2.8305 2.8305 2.8393 2.8393 3.4672 3.4672 3.4795 3.4795 3.5781 3.5781 6.1737 6.1737 6.4663 6.4663 8.1131 8.1131 8.2229 8.2229 8.3840 8.3840 8.5325 8.5325 8.5700 8.5700 8.6888 8.6888 8.8168 8.8168 8.9222 8.9222 9.0131 9.0131 9.2136 9.2136 11.1506 11.1506 11.2828 11.2828 13.3849 13.3849 13.5431 13.5431 13.5847 13.5847 15.6766 15.6766 k = 0.5282 0.2072 0.2502 ( 2549 PWs) bands (ev): 2.8302 2.8302 2.8390 2.8390 3.4662 3.4662 3.4798 3.4798 3.5760 3.5760 6.1785 6.1785 6.4922 6.4922 8.1096 8.1096 8.2242 8.2242 8.3854 8.3854 8.5310 8.5310 8.5697 8.5697 8.6957 8.6957 8.8215 8.8215 8.9209 8.9209 9.0128 9.0128 9.2144 9.2144 11.1093 11.1093 11.2861 11.2861 13.3531 13.3531 13.5324 13.5324 13.5867 13.5867 15.7422 15.7422 k = 0.5323 0.1956 0.2568 ( 2555 PWs) bands (ev): 2.8298 2.8298 2.8387 2.8387 3.4649 3.4649 3.4802 3.4802 3.5736 3.5736 6.1840 6.1840 6.5217 6.5217 8.1041 8.1041 8.2270 8.2270 8.3866 8.3866 8.5287 8.5287 8.5714 8.5714 8.7027 8.7027 8.8260 8.8260 8.9197 8.9197 9.0128 9.0128 9.2153 9.2153 11.0632 11.0632 11.2899 11.2899 13.3149 13.3149 13.5210 13.5210 13.5910 13.5910 15.8048 15.8048 k = 0.5363 0.1839 0.2634 ( 2553 PWs) bands (ev): 2.8293 2.8293 2.8385 2.8385 3.4635 3.4635 3.4807 3.4807 3.5712 3.5712 6.1903 6.1903 6.5546 6.5546 8.0963 8.0963 8.2314 8.2314 8.3876 8.3876 8.5255 8.5255 8.5752 8.5752 8.7098 8.7098 8.8303 8.8303 8.9189 8.9189 9.0132 9.0132 9.2165 9.2165 11.0130 11.0130 11.2941 11.2941 13.2708 13.2708 13.5088 13.5088 13.5976 13.5976 15.8420 15.8420 k = 0.5403 0.1723 0.2700 ( 2551 PWs) bands (ev): 2.8287 2.8287 2.8382 2.8382 3.4620 3.4620 3.4812 3.4812 3.5686 3.5686 6.1974 6.1974 6.5907 6.5907 8.0862 8.0862 8.2373 8.2373 8.3886 8.3886 8.5219 8.5219 8.5810 8.5810 8.7169 8.7169 8.8338 8.8338 8.9186 8.9186 9.0141 9.0141 9.2178 9.2178 10.9590 10.9590 11.2987 11.2987 13.2215 13.2215 13.4960 13.4960 13.6066 13.6066 15.8229 15.8229 k = 0.5444 0.1606 0.2766 ( 2559 PWs) bands (ev): 2.8279 2.8279 2.8378 2.8378 3.4603 3.4603 3.4816 3.4816 3.5660 3.5660 6.2053 6.2053 6.6298 6.6298 8.0738 8.0738 8.2447 8.2447 8.3893 8.3893 8.5179 8.5179 8.5886 8.5886 8.7238 8.7238 8.8363 8.8363 8.9191 8.9191 9.0157 9.0157 9.2194 9.2194 10.9018 10.9018 11.3036 11.3036 13.1674 13.1674 13.4826 13.4826 13.6176 13.6176 15.7630 15.7630 k = 0.5484 0.1490 0.2831 ( 2563 PWs) bands (ev): 2.8270 2.8270 2.8375 2.8375 3.4585 3.4585 3.4820 3.4820 3.5634 3.5634 6.2141 6.2141 6.6718 6.6718 8.0593 8.0593 8.2532 8.2532 8.3901 8.3901 8.5141 8.5141 8.5978 8.5978 8.7305 8.7305 8.8377 8.8377 8.9204 8.9204 9.0182 9.0182 9.2213 9.2213 10.8419 10.8419 11.3087 11.3087 13.1090 13.1090 13.4689 13.4689 13.6307 13.6307 15.6881 15.6881 k = 0.5524 0.1374 0.2897 ( 2569 PWs) bands (ev): 2.8259 2.8259 2.8372 2.8372 3.4567 3.4567 3.4824 3.4824 3.5608 3.5608 6.2237 6.2237 6.7162 6.7162 8.0427 8.0427 8.2627 8.2627 8.3909 8.3909 8.5103 8.5103 8.6083 8.6083 8.7371 8.7371 8.8380 8.8380 8.9225 8.9225 9.0215 9.0215 9.2235 9.2235 10.7798 10.7798 11.3141 11.3141 13.0471 13.0471 13.4549 13.4549 13.6456 13.6456 15.6083 15.6083 k = 0.5565 0.1257 0.2963 ( 2572 PWs) bands (ev): 2.8248 2.8248 2.8369 2.8369 3.4548 3.4548 3.4828 3.4828 3.5585 3.5585 6.2341 6.2341 6.7629 6.7629 8.0242 8.0242 8.2728 8.2728 8.3920 8.3920 8.5068 8.5068 8.6199 8.6199 8.7434 8.7434 8.8373 8.8373 8.9253 8.9253 9.0258 9.0258 9.2260 9.2260 10.7159 10.7159 11.3196 11.3196 12.9822 12.9822 13.4410 13.4410 13.6621 13.6621 15.5270 15.5270 k = 0.5605 0.1141 0.3029 ( 2572 PWs) bands (ev): 2.8235 2.8235 2.8367 2.8367 3.4530 3.4530 3.4831 3.4831 3.5563 3.5563 6.2454 6.2454 6.8116 6.8116 8.0041 8.0041 8.2831 8.2831 8.3937 8.3937 8.5037 8.5037 8.6322 8.6322 8.7496 8.7496 8.8360 8.8360 8.9286 8.9286 9.0312 9.0312 9.2290 9.2290 10.6506 10.6506 11.3251 11.3251 12.9149 12.9149 13.4274 13.4274 13.6801 13.6801 15.4461 15.4461 k = 0.5645 0.1024 0.3095 ( 2569 PWs) bands (ev): 2.8220 2.8220 2.8365 2.8365 3.4511 3.4511 3.4834 3.4834 3.5545 3.5545 6.2574 6.2574 6.8618 6.8618 7.9823 7.9823 8.2933 8.2933 8.3961 8.3961 8.5010 8.5010 8.6449 8.6449 8.7555 8.7555 8.8344 8.8344 8.9324 8.9324 9.0374 9.0374 9.2325 9.2325 10.5844 10.5844 11.3306 11.3306 12.8458 12.8458 13.4143 13.4143 13.6994 13.6994 15.3664 15.3664 k = 0.5685 0.0908 0.3161 ( 2569 PWs) bands (ev): 2.8204 2.8204 2.8363 2.8363 3.4493 3.4493 3.4834 3.4834 3.5528 3.5528 6.2703 6.2703 6.9133 6.9133 7.9591 7.9591 8.3030 8.3030 8.3995 8.3995 8.4989 8.4989 8.6574 8.6574 8.7613 8.7613 8.8332 8.8332 8.9367 8.9367 9.0443 9.0443 9.2365 9.2365 10.5176 10.5176 11.3361 11.3361 12.7755 12.7755 13.4019 13.4019 13.7196 13.7196 15.2887 15.2887 k = 0.5726 0.0792 0.3226 ( 2564 PWs) bands (ev): 2.8187 2.8187 2.8362 2.8362 3.4475 3.4475 3.4834 3.4834 3.5516 3.5516 6.2838 6.2838 6.9654 6.9654 7.9347 7.9347 8.3117 8.3117 8.4043 8.4043 8.4976 8.4976 8.6693 8.6693 8.7669 8.7669 8.8330 8.8330 8.9415 8.9415 9.0517 9.0517 9.2412 9.2412 10.4505 10.4505 11.3413 11.3413 12.7047 12.7047 13.3904 13.3904 13.7405 13.7405 15.2133 15.2133 k = 0.5766 0.0675 0.3292 ( 2566 PWs) bands (ev): 2.8168 2.8168 2.8360 2.8360 3.4457 3.4457 3.4831 3.4831 3.5506 3.5506 6.2981 6.2981 7.0179 7.0179 7.9091 7.9091 8.3192 8.3192 8.4103 8.4103 8.4971 8.4971 8.6797 8.6797 8.7719 8.7719 8.8348 8.8348 8.9468 8.9468 9.0592 9.0592 9.2465 9.2465 10.3836 10.3836 11.3463 11.3463 12.6341 12.6341 13.3801 13.3801 13.7618 13.7618 15.1407 15.1407 k = 0.5806 0.0559 0.3358 ( 2562 PWs) bands (ev): 2.8149 2.8149 2.8359 2.8359 3.4440 3.4440 3.4828 3.4828 3.5500 3.5500 6.3128 6.3128 7.0700 7.0700 7.8827 7.8827 8.3253 8.3253 8.4176 8.4176 8.4977 8.4977 8.6883 8.6883 8.7758 8.7758 8.8399 8.8399 8.9529 8.9529 9.0667 9.0667 9.2524 9.2524 10.3175 10.3175 11.3510 11.3510 12.5641 12.5641 13.3712 13.3712 13.7832 13.7832 15.0713 15.0713 k = 0.5847 0.0442 0.3424 ( 2566 PWs) bands (ev): 2.8128 2.8128 2.8357 2.8357 3.4423 3.4423 3.4822 3.4822 3.5496 3.5496 6.3281 6.3281 7.1211 7.1211 7.8558 7.8558 8.3301 8.3301 8.4256 8.4256 8.4998 8.4998 8.6947 8.6947 8.7776 8.7776 8.8495 8.8495 8.9597 8.9597 9.0741 9.0741 9.2590 9.2590 10.2524 10.2524 11.3551 11.3551 12.4953 12.4953 13.3639 13.3639 13.8041 13.8041 15.0054 15.0054 k = 0.5887 0.0326 0.3490 ( 2565 PWs) bands (ev): 2.8105 2.8105 2.8356 2.8356 3.4406 3.4406 3.4817 3.4817 3.5496 3.5496 6.3436 6.3436 7.1704 7.1704 7.8288 7.8288 8.3339 8.3339 8.4338 8.4338 8.5036 8.5036 8.6989 8.6989 8.7772 8.7772 8.8635 8.8635 8.9675 8.9675 9.0810 9.0810 9.2662 9.2662 10.1891 10.1891 11.3588 11.3588 12.4284 12.4284 13.3584 13.3584 13.8241 13.8241 14.9435 14.9435 k = 0.5927 0.0210 0.3556 ( 2563 PWs) bands (ev): 2.8082 2.8082 2.8356 2.8356 3.4390 3.4390 3.4811 3.4811 3.5499 3.5499 6.3593 6.3593 7.2169 7.2169 7.8025 7.8025 8.3369 8.3369 8.4413 8.4413 8.5096 8.5096 8.7015 8.7015 8.7750 8.7750 8.8814 8.8814 8.9764 8.9764 9.0877 9.0877 9.2736 9.2736 10.1283 10.1283 11.3617 11.3617 12.3636 12.3636 13.3549 13.3549 13.8427 13.8427 14.8863 14.8863 k = 0.5968 0.0093 0.3622 ( 2563 PWs) bands (ev): 2.8058 2.8058 2.8355 2.8355 3.4374 3.4374 3.4804 3.4804 3.5504 3.5504 6.3748 6.3748 7.2592 7.2592 7.7778 7.7778 8.3393 8.3393 8.4479 8.4479 8.5178 8.5178 8.7027 8.7027 8.7715 8.7715 8.9019 8.9019 8.9865 8.9865 9.0940 9.0940 9.2810 9.2810 10.0707 10.0707 11.3639 11.3639 12.3016 12.3016 13.3535 13.3535 13.8590 13.8590 14.8343 14.8343 k = 0.6008-0.0023 0.3687 ( 2573 PWs) bands (ev): 2.8033 2.8033 2.8354 2.8354 3.4357 3.4357 3.4796 3.4796 3.5510 3.5510 6.3899 6.3899 7.2959 7.2959 7.7561 7.7561 8.3413 8.3413 8.4534 8.4534 8.5278 8.5278 8.7030 8.7030 8.7670 8.7670 8.9237 8.9237 8.9980 8.9980 9.1006 9.1006 9.2879 9.2879 10.0171 10.0171 11.3652 11.3652 12.2426 12.2426 13.3544 13.3544 13.8724 13.8724 14.7883 14.7883 k = 0.6048-0.0140 0.3753 ( 2574 PWs) bands (ev): 2.8007 2.8007 2.8354 2.8354 3.4341 3.4341 3.4790 3.4790 3.5519 3.5519 6.4043 6.4043 7.3248 7.3248 7.7392 7.7392 8.3430 8.3430 8.4581 8.4581 8.5394 8.5394 8.7028 8.7028 8.7618 8.7618 8.9455 8.9455 9.0110 9.0110 9.1080 9.1080 9.2938 9.2938 9.9689 9.9689 11.3657 11.3657 12.1869 12.1869 13.3577 13.3577 13.8821 13.8821 14.7492 14.7492 k = 0.6089-0.0256 0.3819 ( 2570 PWs) bands (ev): 2.7982 2.7982 2.8354 2.8354 3.4325 3.4325 3.4785 3.4785 3.5529 3.5529 6.4175 6.4175 7.3440 7.3440 7.7291 7.7291 8.3445 8.3445 8.4624 8.4624 8.5519 8.5519 8.7024 8.7024 8.7561 8.7561 8.9659 8.9659 9.0250 9.0250 9.1175 9.1175 9.2983 9.2983 9.9271 9.9271 11.3650 11.3650 12.1348 12.1348 13.3634 13.3634 13.8873 13.8873 14.7177 14.7177 k = 0.6129-0.0372 0.3885 ( 2576 PWs) bands (ev): 2.7955 2.7955 2.8355 2.8355 3.4308 3.4308 3.4780 3.4780 3.5539 3.5539 6.4288 6.4288 7.3520 7.3520 7.7274 7.7274 8.3459 8.3459 8.4664 8.4664 8.5647 8.5647 8.7019 8.7019 8.7502 8.7502 8.9838 8.9838 9.0385 9.0385 9.1305 9.1305 9.3011 9.3011 9.8929 9.8929 11.3633 11.3633 12.0865 12.0865 13.3717 13.3717 13.8875 13.8875 14.6944 14.6944 k = 0.6169-0.0489 0.3951 ( 2578 PWs) bands (ev): 2.7929 2.7929 2.8356 2.8356 3.4291 3.4291 3.4777 3.4777 3.5549 3.5549 6.4377 6.4377 7.3491 7.3491 7.7342 7.7342 8.3471 8.3471 8.4703 8.4703 8.5773 8.5773 8.7015 8.7015 8.7443 8.7443 8.9993 8.9993 9.0494 9.0494 9.1475 9.1475 9.3031 9.3031 9.8676 9.8676 11.3604 11.3604 12.0421 12.0421 13.3824 13.3824 13.8825 13.8825 14.6797 14.6797 k = 0.6210-0.0605 0.4017 ( 2574 PWs) bands (ev): 2.7903 2.7903 2.8358 2.8358 3.4274 3.4274 3.4776 3.4776 3.5560 3.5560 6.4434 6.4434 7.3370 7.3370 7.7482 7.7482 8.3483 8.3483 8.4743 8.4743 8.5894 8.5894 8.7011 8.7011 8.7387 8.7387 9.0128 9.0128 9.0570 9.0570 9.1657 9.1657 9.3069 9.3069 9.8517 9.8517 11.3562 11.3562 12.0016 12.0016 13.3956 13.3956 13.8724 13.8724 14.6734 14.6734 k = 0.6250-0.0722 0.4082 ( 2574 PWs) bands (ev): 2.7877 2.7877 2.8359 2.8359 3.4257 3.4257 3.4776 3.4776 3.5570 3.5570 6.4449 6.4449 7.3188 7.3188 7.7672 7.7672 8.3494 8.3494 8.4785 8.4785 8.6004 8.6004 8.7007 8.7007 8.7340 8.7340 9.0244 9.0244 9.0619 9.0619 9.1789 9.1789 9.3175 9.3175 9.8457 9.8457 11.3507 11.3507 11.9649 11.9649 13.4111 13.4111 13.8581 13.8581 14.6582 14.6582 k = 0.6250-0.0722 0.4082 ( 2574 PWs) bands (ev): 2.7877 2.7877 2.8359 2.8359 3.4257 3.4257 3.4776 3.4776 3.5570 3.5570 6.4449 6.4449 7.3188 7.3188 7.7672 7.7672 8.3494 8.3494 8.4785 8.4785 8.6004 8.6004 8.7007 8.7007 8.7340 8.7340 9.0244 9.0244 9.0619 9.0619 9.1789 9.1789 9.3175 9.3175 9.8457 9.8457 11.3507 11.3507 11.9649 11.9649 13.4111 13.4111 13.8581 13.8581 14.6582 14.6582 k = 0.6181-0.0682 0.4196 ( 2576 PWs) bands (ev): 2.7878 2.7878 2.8359 2.8359 3.4254 3.4254 3.4779 3.4779 3.5569 3.5569 6.4453 6.4453 7.3194 7.3194 7.7664 7.7664 8.3499 8.3499 8.4781 8.4781 8.6020 8.6020 8.6994 8.6994 8.7357 8.7357 9.0216 9.0216 9.0621 9.0621 9.1804 9.1804 9.3192 9.3192 9.8459 9.8459 11.3317 11.3317 11.9822 11.9822 13.4104 13.4104 13.8570 13.8570 14.6052 14.6052 k = 0.6111-0.0642 0.4309 ( 2574 PWs) bands (ev): 2.7881 2.7881 2.8357 2.8357 3.4248 3.4248 3.4789 3.4789 3.5565 3.5565 6.4466 6.4466 7.3212 7.3212 7.7640 7.7640 8.3515 8.3515 8.4770 8.4770 8.6067 8.6067 8.6963 8.6963 8.7402 8.7402 9.0138 9.0138 9.0626 9.0626 9.1845 9.1845 9.3244 9.3244 9.8465 9.8465 11.2800 11.2800 12.0289 12.0289 13.4082 13.4082 13.8538 13.8538 14.5425 14.5425 k = 0.6042-0.0601 0.4423 ( 2571 PWs) bands (ev): 2.7887 2.7887 2.8355 2.8355 3.4237 3.4237 3.4804 3.4804 3.5559 3.5559 6.4487 6.4487 7.3243 7.3243 7.7600 7.7600 8.3541 8.3541 8.4755 8.4755 8.6139 8.6139 8.6923 8.6923 8.7465 8.7465 9.0019 9.0019 9.0636 9.0636 9.1903 9.1903 9.3328 9.3328 9.8474 9.8474 11.2060 11.2060 12.0944 12.0944 13.4045 13.4045 13.8484 13.8484 14.4793 14.4793 k = 0.5972-0.0561 0.4536 ( 2569 PWs) bands (ev): 2.7895 2.7895 2.8352 2.8352 3.4224 3.4224 3.4824 3.4824 3.5551 3.5551 6.4517 6.4517 7.3287 7.3287 7.7545 7.7545 8.3575 8.3575 8.4741 8.4741 8.6225 8.6225 8.6886 8.6886 8.7541 8.7541 8.9869 8.9869 9.0652 9.0652 9.1972 9.1972 9.3442 9.3442 9.8487 9.8487 11.1185 11.1185 12.1702 12.1702 13.3994 13.3994 13.8411 13.8411 14.4165 14.4165 k = 0.5903-0.0521 0.4649 ( 2567 PWs) bands (ev): 2.7906 2.7906 2.8348 2.8348 3.4208 3.4208 3.4848 3.4848 3.5541 3.5541 6.4554 6.4554 7.3343 7.3343 7.7474 7.7474 8.3617 8.3617 8.4731 8.4731 8.6312 8.6312 8.6860 8.6860 8.7627 8.7627 8.9699 8.9699 9.0674 9.0674 9.2047 9.2047 9.3581 9.3581 9.8503 9.8503 11.0228 11.0228 12.2512 12.2512 13.3928 13.3928 13.8318 13.8318 14.3548 14.3548 k = 0.5833-0.0481 0.4763 ( 2561 PWs) bands (ev): 2.7918 2.7918 2.8343 2.8343 3.4192 3.4192 3.4875 3.4875 3.5528 3.5528 6.4598 6.4598 7.3412 7.3412 7.7390 7.7390 8.3665 8.3665 8.4728 8.4728 8.6382 8.6382 8.6857 8.6857 8.7723 8.7723 8.9518 8.9518 9.0700 9.0700 9.2129 9.2129 9.3741 9.3741 9.8523 9.8523 10.9220 10.9220 12.3342 12.3342 13.3848 13.3848 13.8208 13.8208 14.2951 14.2951 k = 0.5764-0.0441 0.4876 ( 2565 PWs) bands (ev): 2.7932 2.7932 2.8336 2.8336 3.4175 3.4175 3.4904 3.4904 3.5513 3.5513 6.4648 6.4648 7.3493 7.3493 7.7291 7.7291 8.3716 8.3716 8.4736 8.4736 8.6420 8.6420 8.6887 8.6887 8.7827 8.7827 8.9333 8.9333 9.0730 9.0730 9.2220 9.2220 9.3918 9.3918 9.8547 9.8547 10.8182 10.8182 12.4174 12.4174 13.3752 13.3752 13.8083 13.8083 14.2378 14.2378 k = 0.5694-0.0401 0.4990 ( 2561 PWs) bands (ev): 2.7948 2.7948 2.8328 2.8328 3.4158 3.4158 3.4934 3.4934 3.5496 3.5496 6.4705 6.4705 7.3588 7.3588 7.7180 7.7180 8.3768 8.3768 8.4755 8.4755 8.6423 8.6423 8.6945 8.6945 8.7934 8.7934 8.9152 8.9152 9.0764 9.0764 9.2324 9.2324 9.4107 9.4107 9.8574 9.8574 10.7129 10.7129 12.4996 12.4996 13.3641 13.3641 13.7945 13.7945 14.1836 14.1836 k = 0.5625-0.0361 0.5103 ( 2563 PWs) bands (ev): 2.7964 2.7964 2.8320 2.8320 3.4142 3.4142 3.4966 3.4966 3.5476 3.5476 6.4766 6.4766 7.3695 7.3695 7.7055 7.7055 8.3818 8.3818 8.4787 8.4787 8.6404 8.6404 8.7017 8.7017 8.8034 8.8034 8.8986 8.8986 9.0799 9.0799 9.2446 9.2446 9.4305 9.4305 9.8604 9.8604 10.6072 10.6072 12.5799 12.5799 13.3513 13.3513 13.7797 13.7797 14.1330 14.1330 k = 0.5556-0.0321 0.5217 ( 2559 PWs) bands (ev): 2.7982 2.7982 2.8310 2.8310 3.4127 3.4127 3.4998 3.4998 3.5456 3.5456 6.4830 6.4830 7.3816 7.3816 7.6919 7.6919 8.3864 8.3864 8.4833 8.4833 8.6375 8.6375 8.7088 8.7088 8.8108 8.8108 8.8855 8.8855 9.0836 9.0836 9.2593 9.2593 9.4507 9.4507 9.8637 9.8637 10.5021 10.5021 12.6577 12.6577 13.3368 13.3368 13.7644 13.7644 14.0865 14.0865 k = 0.5486-0.0281 0.5330 ( 2555 PWs) bands (ev): 2.8001 2.8001 2.8300 2.8300 3.4113 3.4113 3.5031 3.5031 3.5434 3.5434 6.4897 6.4897 7.3950 7.3950 7.6771 7.6771 8.3904 8.3904 8.4890 8.4890 8.6343 8.6343 8.7152 8.7152 8.8125 8.8125 8.8788 8.8788 9.0873 9.0873 9.2769 9.2769 9.4710 9.4710 9.8672 9.8672 10.3989 10.3989 12.7323 12.7323 13.3202 13.3202 13.7491 13.7491 14.0446 14.0446 k = 0.5417-0.0241 0.5443 ( 2549 PWs) bands (ev): 2.8021 2.8021 2.8289 2.8289 3.4102 3.4102 3.5064 3.5064 3.5411 3.5411 6.4963 6.4963 7.4097 7.4097 7.6612 7.6612 8.3939 8.3939 8.4956 8.4956 8.6311 8.6311 8.7205 8.7205 8.8070 8.8070 8.8794 8.8794 9.0908 9.0908 9.2979 9.2979 9.4909 9.4909 9.8709 9.8709 10.2987 10.2987 12.8032 12.8032 13.3015 13.3015 13.7341 13.7341 14.0076 14.0076 k = 0.5347-0.0200 0.5557 ( 2559 PWs) bands (ev): 2.8039 2.8039 2.8276 2.8276 3.4091 3.4091 3.5095 3.5095 3.5386 3.5386 6.5028 6.5028 7.4255 7.4255 7.6441 7.6441 8.3966 8.3966 8.5026 8.5026 8.6282 8.6282 8.7245 8.7245 8.7974 8.7974 8.8845 8.8845 9.0938 9.0938 9.3224 9.3224 9.5095 9.5095 9.8744 9.8744 10.2031 10.2031 12.8699 12.8699 13.2804 13.2804 13.7200 13.7200 13.9760 13.9760 k = 0.5278-0.0160 0.5670 ( 2558 PWs) bands (ev): 2.8058 2.8058 2.8264 2.8264 3.4082 3.4082 3.5126 3.5126 3.5361 3.5361 6.5089 6.5089 7.4425 7.4425 7.6262 7.6262 8.3988 8.3988 8.5094 8.5094 8.6258 8.6258 8.7270 8.7270 8.7872 8.7872 8.8906 8.8906 9.0965 9.0965 9.3503 9.3503 9.5257 9.5257 9.8775 9.8775 10.1150 10.1150 12.9319 12.9319 13.2567 13.2567 13.7074 13.7074 13.9501 13.9501 k = 0.5208-0.0120 0.5784 ( 2561 PWs) bands (ev): 2.8075 2.8075 2.8251 2.8251 3.4076 3.4076 3.5156 3.5156 3.5336 3.5336 6.5143 6.5143 7.4603 7.4603 7.6075 7.6075 8.4005 8.4005 8.5155 8.5155 8.6241 8.6241 8.7280 8.7280 8.7786 8.7786 8.8961 8.8961 9.0985 9.0985 9.3812 9.3812 9.5372 9.5372 9.8792 9.8792 10.0384 10.0384 12.9887 12.9887 13.2301 13.2301 13.6969 13.6969 13.9301 13.9301 k = 0.5139-0.0080 0.5897 ( 2569 PWs) bands (ev): 2.8089 2.8089 2.8239 2.8239 3.4071 3.4071 3.5184 3.5184 3.5310 3.5310 6.5187 6.5187 7.4781 7.4781 7.5889 7.5889 8.4017 8.4017 8.5202 8.5202 8.6230 8.6230 8.7277 8.7277 8.7726 8.7726 8.9001 8.9001 9.1001 9.1001 9.4141 9.4141 9.5406 9.5406 9.8775 9.8775 9.9804 9.9804 13.0399 13.0399 13.2006 13.2006 13.6889 13.6889 13.9162 13.9162 k = 0.5069-0.0040 0.6010 ( 2580 PWs) bands (ev): 2.8099 2.8099 2.8230 2.8230 3.4068 3.4068 3.5207 3.5207 3.5287 3.5287 6.5217 6.5217 7.4941 7.4941 7.5724 7.5724 8.4024 8.4024 8.5230 8.5230 8.6224 8.6224 8.7267 8.7267 8.7695 8.7695 8.9025 8.9025 9.1009 9.1009 9.4464 9.4464 9.5323 9.5323 9.8705 9.8705 9.9490 9.9490 13.0847 13.0847 13.1688 13.1688 13.6838 13.6838 13.9081 13.9081 k = 0.5000 0.0000 0.6124 ( 2580 PWs) bands (ev): 2.8103 2.8103 2.8227 2.8227 3.4067 3.4067 3.5219 3.5219 3.5276 3.5276 6.5228 6.5228 7.5018 7.5018 7.5646 7.5646 8.4026 8.4026 8.5239 8.5239 8.6223 8.6223 8.7262 8.7262 8.7686 8.7686 8.9033 8.9033 9.1012 9.1012 9.4658 9.4658 9.5209 9.5209 9.8655 9.8655 9.9412 9.9412 13.1126 13.1126 13.1451 13.1451 13.6821 13.6821 13.9055 13.9055 k = 0.5000 0.0000 0.6124 ( 2580 PWs) bands (ev): 2.8103 2.8103 2.8227 2.8227 3.4067 3.4067 3.5219 3.5219 3.5276 3.5276 6.5228 6.5228 7.5018 7.5018 7.5646 7.5646 8.4026 8.4026 8.5239 8.5239 8.6223 8.6223 8.7262 8.7262 8.7686 8.7686 8.9033 8.9033 9.1012 9.1012 9.4658 9.4658 9.5209 9.5209 9.8655 9.8655 9.9412 9.9412 13.1126 13.1126 13.1451 13.1451 13.6821 13.6821 13.9055 13.9055 k = 0.5000 0.0080 0.6010 ( 2580 PWs) bands (ev): 2.8103 2.8103 2.8227 2.8227 3.4068 3.4068 3.5217 3.5217 3.5277 3.5277 6.5213 6.5213 7.5019 7.5019 7.5646 7.5646 8.4021 8.4021 8.5241 8.5241 8.6221 8.6221 8.7261 8.7261 8.7683 8.7683 8.9017 8.9017 9.1007 9.1007 9.4607 9.4607 9.5088 9.5088 9.8766 9.8766 9.9527 9.9527 13.1099 13.1099 13.1429 13.1429 13.6855 13.6855 13.9106 13.9106 k = 0.5000 0.0160 0.5897 ( 2568 PWs) bands (ev): 2.8105 2.8105 2.8230 2.8230 3.4073 3.4073 3.5212 3.5212 3.5281 3.5281 6.5172 6.5172 7.5017 7.5017 7.5656 7.5656 8.4005 8.4005 8.5246 8.5246 8.6217 8.6217 8.7257 8.7257 8.7674 8.7674 8.8970 8.8970 9.0994 9.0994 9.4416 9.4416 9.4836 9.4836 9.8995 9.8995 9.9901 9.9901 13.0986 13.0986 13.1404 13.1404 13.6943 13.6943 13.9263 13.9263 k = 0.5000 0.0241 0.5784 ( 2560 PWs) bands (ev): 2.8109 2.8109 2.8233 2.8233 3.4080 3.4080 3.5205 3.5205 3.5286 3.5286 6.5104 6.5104 7.4990 7.4990 7.5693 7.5693 8.3979 8.3979 8.5255 8.5255 8.6209 8.6209 8.7249 8.7249 8.7658 8.7658 8.8893 8.8893 9.0971 9.0971 9.4049 9.4049 9.4620 9.4620 9.9235 9.9235 10.0514 10.0514 13.0763 13.0763 13.1425 13.1425 13.7050 13.7050 13.9538 13.9538 k = 0.5000 0.0321 0.5670 ( 2558 PWs) bands (ev): 2.8112 2.8112 2.8236 2.8236 3.4089 3.4089 3.5194 3.5194 3.5292 3.5292 6.5012 6.5012 7.4914 7.4914 7.5776 7.5776 8.3944 8.3944 8.5265 8.5265 8.6198 8.6198 8.7230 8.7230 8.7634 8.7634 8.8792 8.8792 9.0938 9.0938 9.3606 9.3606 9.4430 9.4430 9.9488 9.9488 10.1271 10.1271 13.0465 13.0465 13.1485 13.1485 13.7142 13.7142 13.9933 13.9933 k = 0.5000 0.0401 0.5557 ( 2560 PWs) bands (ev): 2.8116 2.8116 2.8240 2.8240 3.4100 3.4100 3.5182 3.5182 3.5299 3.5299 6.4899 6.4899 7.4783 7.4783 7.5910 7.5910 8.3900 8.3900 8.5276 8.5276 8.6181 8.6181 8.7192 8.7192 8.7603 8.7603 8.8679 8.8679 9.0893 9.0893 9.3170 9.3170 9.4237 9.4237 9.9767 9.9767 10.2105 10.2105 13.0130 13.0130 13.1573 13.1573 13.7203 13.7203 14.0441 14.0441 k = 0.5000 0.0481 0.5443 ( 2560 PWs) bands (ev): 2.8121 2.8121 2.8246 2.8246 3.4114 3.4114 3.5168 3.5168 3.5307 3.5307 6.4769 6.4769 7.4598 7.4598 7.6087 7.6087 8.3851 8.3851 8.5286 8.5286 8.6159 8.6159 8.7120 8.7120 8.7571 8.7571 8.8568 8.8568 9.0839 9.0839 9.2775 9.2775 9.4037 9.4037 10.0074 10.0074 10.2979 10.2979 12.9784 12.9784 13.1683 13.1683 13.7232 13.7232 14.1042 14.1042 k = 0.5000 0.0561 0.5330 ( 2558 PWs) bands (ev): 2.8127 2.8127 2.8252 2.8252 3.4130 3.4130 3.5152 3.5152 3.5316 3.5316 6.4624 6.4624 7.4363 7.4363 7.6299 7.6299 8.3797 8.3797 8.5294 8.5294 8.6129 8.6129 8.7001 8.7001 8.7548 8.7548 8.8472 8.8472 9.0772 9.0772 9.2429 9.2429 9.3834 9.3834 10.0409 10.0409 10.3871 10.3871 12.9445 12.9445 13.1811 13.1811 13.7234 13.7234 14.1718 14.1718 k = 0.5000 0.0642 0.5217 ( 2558 PWs) bands (ev): 2.8134 2.8134 2.8258 2.8258 3.4148 3.4148 3.5135 3.5135 3.5325 3.5325 6.4468 6.4468 7.4083 7.4083 7.6537 7.6537 8.3740 8.3740 8.5298 8.5298 8.6086 8.6086 8.6839 8.6839 8.7539 8.7539 8.8401 8.8401 9.0694 9.0694 9.2134 9.2134 9.3635 9.3635 10.0767 10.0767 10.4764 10.4764 12.9127 12.9127 13.1955 13.1955 13.7213 13.7213 14.2453 14.2453 k = 0.5000 0.0722 0.5103 ( 2560 PWs) bands (ev): 2.8141 2.8141 2.8265 2.8265 3.4168 3.4168 3.5116 3.5116 3.5335 3.5335 6.4303 6.4303 7.3761 7.3761 7.6795 7.6795 8.3682 8.3682 8.5294 8.5294 8.6021 8.6021 8.6656 8.6656 8.7541 8.7541 8.8354 8.8354 9.0605 9.0605 9.1881 9.1881 9.3445 9.3445 10.1147 10.1147 10.5648 10.5648 12.8842 12.8842 13.2112 13.2112 13.7176 13.7176 14.3233 14.3233 k = 0.5000 0.0802 0.4990 ( 2558 PWs) bands (ev): 2.8149 2.8149 2.8273 2.8273 3.4190 3.4190 3.5097 3.5097 3.5347 3.5347 6.4134 6.4134 7.3399 7.3399 7.7069 7.7069 8.3623 8.3623 8.5277 8.5277 8.5922 8.5922 8.6490 8.6490 8.7551 8.7551 8.8328 8.8328 9.0505 9.0505 9.1664 9.1664 9.3267 9.3267 10.1548 10.1548 10.6511 10.6511 12.8598 12.8598 13.2281 13.2281 13.7126 13.7126 14.4051 14.4051 k = 0.5000 0.0882 0.4876 ( 2564 PWs) bands (ev): 2.8157 2.8157 2.8280 2.8280 3.4214 3.4214 3.5076 3.5076 3.5359 3.5359 6.3962 6.3962 7.3000 7.3000 7.7352 7.7352 8.3565 8.3565 8.5237 8.5237 8.5788 8.5788 8.6366 8.6366 8.7565 8.7565 8.8316 8.8316 9.0396 9.0396 9.1474 9.1474 9.3104 9.3104 10.1967 10.1967 10.7342 10.7342 12.8404 12.8404 13.2457 13.2457 13.7066 13.7066 14.4899 14.4899 k = 0.5000 0.0962 0.4763 ( 2572 PWs) bands (ev): 2.8166 2.8166 2.8287 2.8287 3.4239 3.4239 3.5054 3.5054 3.5372 3.5372 6.3790 6.3790 7.2570 7.2570 7.7641 7.7641 8.3508 8.3508 8.5153 8.5153 8.5654 8.5654 8.6282 8.6282 8.7582 8.7582 8.8315 8.8315 9.0278 9.0278 9.1303 9.1303 9.2958 9.2958 10.2405 10.2405 10.8132 10.8132 12.8266 12.8266 13.2641 13.2641 13.6998 13.6998 14.5771 14.5771 k = 0.5000 0.1042 0.4649 ( 2570 PWs) bands (ev): 2.8175 2.8175 2.8296 2.8296 3.4265 3.4265 3.5033 3.5033 3.5387 3.5387 6.3619 6.3619 7.2112 7.2112 7.7933 7.7933 8.3452 8.3452 8.5015 8.5015 8.5558 8.5558 8.6223 8.6223 8.7599 8.7599 8.8321 8.8321 9.0155 9.0155 9.1149 9.1149 9.2831 9.2831 10.2860 10.2860 10.8872 10.8872 12.8192 12.8192 13.2829 13.2829 13.6923 13.6923 14.6665 14.6665 k = 0.5000 0.1123 0.4536 ( 2566 PWs) bands (ev): 2.8185 2.8185 2.8304 2.8304 3.4293 3.4293 3.5013 3.5013 3.5404 3.5404 6.3451 6.3451 7.1632 7.1632 7.8224 7.8224 8.3397 8.3397 8.4839 8.4839 8.5501 8.5501 8.6175 8.6175 8.7614 8.7614 8.8333 8.8333 9.0029 9.0029 9.1008 9.1008 9.2720 9.2720 10.3332 10.3332 10.9554 10.9554 12.8185 12.8185 13.3019 13.3019 13.6843 13.6843 14.7576 14.7576 k = 0.5000 0.1203 0.4423 ( 2568 PWs) bands (ev): 2.8195 2.8195 2.8312 2.8312 3.4322 3.4322 3.4992 3.4992 3.5421 3.5421 6.3288 6.3288 7.1134 7.1134 7.8511 7.8511 8.3341 8.3341 8.4653 8.4653 8.5464 8.5464 8.6132 8.6132 8.7625 8.7625 8.8348 8.8348 8.9902 8.9902 9.0878 9.0878 9.2625 9.2625 10.3820 10.3820 11.0171 11.0171 12.8250 12.8250 13.3209 13.3209 13.6760 13.6760 14.8502 14.8502 k = 0.5000 0.1283 0.4309 ( 2572 PWs) bands (ev): 2.8205 2.8205 2.8320 2.8320 3.4351 3.4351 3.4971 3.4971 3.5439 3.5439 6.3130 6.3130 7.0624 7.0624 7.8792 7.8792 8.3280 8.3280 8.4477 8.4477 8.5438 8.5438 8.6091 8.6091 8.7629 8.7629 8.8365 8.8365 8.9778 8.9778 9.0759 9.0759 9.2544 9.2544 10.4324 10.4324 11.0719 11.0719 12.8388 12.8388 13.3398 13.3398 13.6674 13.6674 14.9440 14.9440 k = 0.5000 0.1363 0.4196 ( 2568 PWs) bands (ev): 2.8215 2.8215 2.8328 2.8328 3.4380 3.4380 3.4951 3.4951 3.5460 3.5460 6.2978 6.2978 7.0107 7.0107 7.9065 7.9065 8.3214 8.3214 8.4321 8.4321 8.5416 8.5416 8.6050 8.6050 8.7626 8.7626 8.8383 8.8383 8.9660 8.9660 9.0650 9.0650 9.2475 9.2475 10.4841 10.4841 11.1195 11.1195 12.8596 12.8596 13.3584 13.3584 13.6587 13.6587 15.0389 15.0389 k = 0.5000 0.1443 0.4082 ( 2560 PWs) bands (ev): 2.8225 2.8225 2.8336 2.8336 3.4410 3.4410 3.4932 3.4932 3.5482 3.5482 6.2834 6.2834 6.9588 6.9588 7.9328 7.9328 8.3137 8.3137 8.4192 8.4192 8.5397 8.5397 8.6008 8.6008 8.7613 8.7613 8.8401 8.8401 8.9553 8.9553 9.0552 9.0552 9.2418 9.2418 10.5371 10.5371 11.1598 11.1598 12.8873 12.8873 13.3765 13.3765 13.6500 13.6500 15.1346 15.1346 k = 0.5000 0.1524 0.3969 ( 2568 PWs) bands (ev): 2.8234 2.8234 2.8342 2.8342 3.4439 3.4439 3.4913 3.4913 3.5504 3.5504 6.2697 6.2697 6.9073 6.9073 7.9578 7.9578 8.3049 8.3049 8.4091 8.4091 8.5378 8.5378 8.5964 8.5964 8.7588 8.7588 8.8416 8.8416 8.9456 8.9456 9.0464 9.0464 9.2368 9.2368 10.5911 10.5911 11.1932 11.1932 12.9209 12.9209 13.3942 13.3942 13.6414 13.6414 15.2308 15.2308 k = 0.5000 0.1604 0.3856 ( 2568 PWs) bands (ev): 2.8244 2.8244 2.8348 2.8348 3.4467 3.4467 3.4896 3.4896 3.5527 3.5527 6.2568 6.2568 6.8565 6.8565 7.9815 7.9815 8.2951 8.2951 8.4017 8.4017 8.5362 8.5362 8.5919 8.5919 8.7552 8.7552 8.8429 8.8429 8.9374 8.9374 9.0386 9.0386 9.2326 9.2326 10.6459 10.6459 11.2201 11.2201 12.9598 12.9598 13.4113 13.4113 13.6329 13.6329 15.3275 15.3275 k = 0.5000 0.1684 0.3742 ( 2558 PWs) bands (ev): 2.8253 2.8253 2.8355 2.8355 3.4496 3.4496 3.4880 3.4880 3.5553 3.5553 6.2447 6.2447 6.8069 6.8069 8.0036 8.0036 8.2847 8.2847 8.3967 8.3967 8.5348 8.5348 8.5874 8.5874 8.7507 8.7507 8.8438 8.8438 8.9307 8.9307 9.0320 9.0320 9.2291 9.2291 10.7013 10.7013 11.2411 11.2411 13.0029 13.0029 13.4277 13.4277 13.6248 13.6248 15.4243 15.4243 k = 0.5000 0.1764 0.3629 ( 2558 PWs) bands (ev): 2.8261 2.8261 2.8361 2.8361 3.4522 3.4522 3.4865 3.4865 3.5579 3.5579 6.2335 6.2335 6.7588 6.7588 8.0241 8.0241 8.2740 8.2740 8.3934 8.3934 8.5335 8.5335 8.5829 8.5829 8.7451 8.7451 8.8439 8.8439 8.9255 8.9255 9.0264 9.0264 9.2260 9.2260 10.7569 10.7569 11.2569 11.2569 13.0489 13.0489 13.4434 13.4434 13.6170 13.6170 15.5208 15.5208 k = 0.5000 0.1844 0.3515 ( 2564 PWs) bands (ev): 2.8269 2.8269 2.8365 2.8365 3.4547 3.4547 3.4851 3.4851 3.5605 3.5605 6.2231 6.2231 6.7126 6.7126 8.0427 8.0427 8.2636 8.2636 8.3913 8.3913 8.5326 8.5326 8.5786 8.5786 8.7388 8.7388 8.8431 8.8431 8.9217 8.9217 9.0218 9.0218 9.2234 9.2234 10.8123 10.8123 11.2683 11.2683 13.0967 13.0967 13.4584 13.4584 13.6097 13.6097 15.6165 15.6165 k = 0.5000 0.1925 0.3402 ( 2564 PWs) bands (ev): 2.8276 2.8276 2.8370 2.8370 3.4571 3.4571 3.4839 3.4839 3.5632 3.5632 6.2135 6.2135 6.6687 6.6687 8.0594 8.0594 8.2538 8.2538 8.3900 8.3900 8.5320 8.5320 8.5747 8.5747 8.7320 8.7320 8.8414 8.8414 8.9193 8.9193 9.0184 9.0184 9.2212 9.2212 10.8672 10.8672 11.2761 11.2761 13.1451 13.1451 13.4726 13.4726 13.6031 13.6031 15.7108 15.7108 k = 0.5000 0.2005 0.3289 ( 2564 PWs) bands (ev): 2.8283 2.8283 2.8375 2.8375 3.4593 3.4593 3.4828 3.4828 3.5658 3.5658 6.2048 6.2048 6.6272 6.6272 8.0740 8.0740 8.2450 8.2450 8.3890 8.3890 8.5318 8.5318 8.5714 8.5714 8.7249 8.7249 8.8387 8.8387 8.9181 8.9181 9.0159 9.0159 9.2193 9.2193 10.9209 10.9209 11.2809 11.2809 13.1929 13.1929 13.4861 13.4861 13.5971 13.5971 15.8018 15.8018 k = 0.5000 0.2085 0.3175 ( 2564 PWs) bands (ev): 2.8289 2.8289 2.8379 2.8379 3.4613 3.4613 3.4818 3.4818 3.5685 3.5685 6.1970 6.1970 6.5885 6.5885 8.0864 8.0864 8.2374 8.2374 8.3882 8.3882 8.5319 8.5319 8.5688 8.5688 8.7176 8.7176 8.8352 8.8352 8.9179 8.9179 9.0142 9.0142 9.2177 9.2177 10.9731 10.9731 11.2834 11.2834 13.2390 13.2390 13.4989 13.4989 13.5921 13.5921 15.8776 15.8776 k = 0.5000 0.2165 0.3062 ( 2560 PWs) bands (ev): 2.8294 2.8294 2.8383 2.8383 3.4630 3.4630 3.4811 3.4811 3.5712 3.5712 6.1899 6.1899 6.5528 6.5528 8.0965 8.0965 8.2314 8.2314 8.3874 8.3874 8.5323 8.5323 8.5671 8.5671 8.7102 8.7102 8.8309 8.8309 8.9185 8.9185 9.0132 9.0132 9.2164 9.2164 11.0231 11.0231 11.2842 11.2842 13.2824 13.2824 13.5110 13.5110 13.5880 13.5880 15.8680 15.8680 k = 0.5000 0.2245 0.2948 ( 2552 PWs) bands (ev): 2.8299 2.8299 2.8387 2.8387 3.4647 3.4647 3.4805 3.4805 3.5737 3.5737 6.1837 6.1837 6.5203 6.5203 8.1042 8.1042 8.2270 8.2270 8.3864 8.3864 8.5327 8.5327 8.5666 8.5666 8.7029 8.7029 8.8263 8.8263 8.9195 8.9195 9.0129 9.0129 9.2153 9.2153 11.0703 11.0703 11.2838 11.2838 13.3222 13.3222 13.5225 13.5225 13.5852 13.5852 15.8089 15.8089 k = 0.5000 0.2325 0.2835 ( 2554 PWs) bands (ev): 2.8302 2.8302 2.8390 2.8390 3.4660 3.4660 3.4799 3.4799 3.5761 3.5761 6.1783 6.1783 6.4911 6.4911 8.1097 8.1097 8.2242 8.2242 8.3852 8.3852 8.5331 8.5331 8.5673 8.5673 8.6957 8.6957 8.8215 8.8215 8.9208 8.9208 9.0129 9.0129 9.2143 9.2143 11.1140 11.1140 11.2826 11.2826 13.3574 13.3574 13.5333 13.5333 13.5836 13.5836 15.7411 15.7411 k = 0.5000 0.2406 0.2722 ( 2554 PWs) bands (ev): 2.8305 2.8305 2.8393 2.8393 3.4672 3.4672 3.4795 3.4795 3.5782 3.5782 6.1736 6.1736 6.4655 6.4655 8.1132 8.1132 8.2229 8.2229 8.3840 8.3840 8.5334 8.5334 8.5691 8.5691 8.6887 8.6887 8.8167 8.8167 8.9222 8.9222 9.0131 9.0131 9.2135 9.2135 11.1535 11.1535 11.2809 11.2809 13.3873 13.3873 13.5436 13.5436 13.5832 13.5832 15.6748 15.6748 k = 0.5000 0.2486 0.2608 ( 2552 PWs) bands (ev): 2.8307 2.8307 2.8395 2.8395 3.4681 3.4681 3.4793 3.4793 3.5801 3.5801 6.1697 6.1697 6.4436 6.4436 8.1151 8.1151 8.2226 8.2226 8.3827 8.3827 8.5335 8.5335 8.5718 8.5718 8.6820 8.6820 8.8122 8.8122 8.9236 8.9236 9.0136 9.0136 9.2129 9.2129 11.1883 11.1883 11.2790 11.2790 13.4115 13.4115 13.5534 13.5534 13.5841 13.5841 15.6146 15.6146 k = 0.5000 0.2566 0.2495 ( 2546 PWs) bands (ev): 2.8310 2.8310 2.8398 2.8398 3.4689 3.4689 3.4791 3.4791 3.5818 3.5818 6.1665 6.1665 6.4255 6.4255 8.1159 8.1159 8.2231 8.2231 8.3815 8.3815 8.5335 8.5335 8.5751 8.5751 8.6759 8.6759 8.8083 8.8083 8.9249 8.9249 9.0141 9.0141 9.2124 9.2124 11.2176 11.2176 11.2774 11.2774 13.4299 13.4299 13.5624 13.5624 13.5860 13.5860 15.5629 15.5629 k = 0.5000 0.2646 0.2381 ( 2542 PWs) bands (ev): 2.8312 2.8312 2.8399 2.8399 3.4694 3.4694 3.4790 3.4790 3.5831 3.5831 6.1641 6.1641 6.4113 6.4113 8.1161 8.1161 8.2238 8.2238 8.3805 8.3805 8.5335 8.5335 8.5785 8.5785 8.6705 8.6705 8.8051 8.8051 8.9259 8.9259 9.0146 9.0146 9.2121 9.2121 11.2408 11.2408 11.2762 11.2762 13.4429 13.4429 13.5701 13.5701 13.5886 13.5886 15.5213 15.5213 k = 0.5000 0.2726 0.2268 ( 2538 PWs) bands (ev): 2.8313 2.8313 2.8401 2.8401 3.4698 3.4698 3.4790 3.4790 3.5841 3.5841 6.1623 6.1623 6.4011 6.4011 8.1160 8.1160 8.2246 8.2246 8.3797 8.3797 8.5335 8.5335 8.5815 8.5815 8.6662 8.6662 8.8027 8.8027 8.9268 8.9268 9.0150 9.0150 9.2118 9.2118 11.2569 11.2569 11.2760 11.2760 13.4513 13.4513 13.5759 13.5759 13.5913 13.5913 15.4908 15.4908 k = 0.5000 0.2807 0.2155 ( 2536 PWs) bands (ev): 2.8313 2.8313 2.8402 2.8402 3.4700 3.4700 3.4790 3.4790 3.5847 3.5847 6.1613 6.1613 6.3950 6.3950 8.1158 8.1158 8.2251 8.2251 8.3792 8.3792 8.5334 8.5334 8.5836 8.5836 8.6634 8.6634 8.8011 8.8011 8.9273 8.9273 9.0153 9.0153 9.2117 9.2117 11.2650 11.2650 11.2776 11.2776 13.4560 13.4560 13.5793 13.5793 13.5934 13.5934 15.4722 15.4722 k = 0.5000 0.2887 0.2041 ( 2536 PWs) bands (ev): 2.8314 2.8314 2.8402 2.8402 3.4701 3.4701 3.4790 3.4790 3.5849 3.5849 6.1609 6.1609 6.3929 6.3929 8.1157 8.1157 8.2253 8.2253 8.3790 8.3790 8.5334 8.5334 8.5843 8.5843 8.6624 8.6624 8.8006 8.8006 8.9274 8.9274 9.0154 9.0154 9.2116 9.2116 11.2668 11.2668 11.2790 11.2790 13.4575 13.4575 13.5804 13.5804 13.5943 13.5943 15.4660 15.4660 k = 0.5000 0.2887 0.2041 ( 2536 PWs) bands (ev): 2.8314 2.8314 2.8402 2.8402 3.4701 3.4701 3.4790 3.4790 3.5849 3.5849 6.1609 6.1609 6.3929 6.3929 8.1157 8.1157 8.2253 8.2253 8.3790 8.3790 8.5334 8.5334 8.5843 8.5843 8.6624 8.6624 8.8006 8.8006 8.9274 8.9274 9.0154 9.0154 9.2116 9.2116 11.2668 11.2668 11.2790 11.2790 13.4575 13.4575 13.5804 13.5804 13.5943 13.5943 15.4660 15.4660 k = 0.4960 0.2863 0.2173 ( 2536 PWs) bands (ev): 2.8313 2.8313 2.8402 2.8402 3.4700 3.4700 3.4790 3.4790 3.5847 3.5847 6.1613 6.1613 6.3950 6.3950 8.1158 8.1158 8.2251 8.2251 8.3792 8.3792 8.5334 8.5334 8.5836 8.5836 8.6634 8.6634 8.8012 8.8012 8.9273 8.9273 9.0153 9.0153 9.2117 9.2117 11.2650 11.2650 11.2776 11.2776 13.4560 13.4560 13.5793 13.5793 13.5934 13.5934 15.4723 15.4723 k = 0.4919 0.2840 0.2305 ( 2538 PWs) bands (ev): 2.8313 2.8313 2.8401 2.8401 3.4698 3.4698 3.4790 3.4790 3.5841 3.5841 6.1623 6.1623 6.4012 6.4012 8.1160 8.1160 8.2246 8.2246 8.3797 8.3797 8.5335 8.5335 8.5815 8.5815 8.6663 8.6663 8.8027 8.8027 8.9268 8.9268 9.0150 9.0150 9.2118 9.2118 11.2568 11.2568 11.2760 11.2760 13.4513 13.4513 13.5758 13.5758 13.5912 13.5912 15.4911 15.4911 k = 0.4879 0.2817 0.2436 ( 2544 PWs) bands (ev): 2.8312 2.8312 2.8399 2.8399 3.4694 3.4694 3.4790 3.4790 3.5831 3.5831 6.1641 6.1641 6.4115 6.4115 8.1161 8.1161 8.2238 8.2238 8.3805 8.3805 8.5335 8.5335 8.5784 8.5784 8.6706 8.6706 8.8051 8.8051 8.9259 8.9259 9.0146 9.0146 9.2121 9.2121 11.2404 11.2404 11.2763 11.2763 13.4427 13.4427 13.5700 13.5700 13.5885 13.5885 15.5219 15.5219 k = 0.4839 0.2794 0.2568 ( 2548 PWs) bands (ev): 2.8310 2.8310 2.8397 2.8397 3.4688 3.4688 3.4791 3.4791 3.5817 3.5817 6.1666 6.1666 6.4259 6.4259 8.1159 8.1159 8.2231 8.2231 8.3815 8.3815 8.5334 8.5334 8.5751 8.5751 8.6760 8.6760 8.8084 8.8084 8.9248 8.9248 9.0141 9.0141 9.2124 9.2124 11.2167 11.2167 11.2778 11.2778 13.4293 13.4293 13.5622 13.5622 13.5861 13.5861 15.5640 15.5640 k = 0.4798 0.2770 0.2700 ( 2552 PWs) bands (ev): 2.8307 2.8307 2.8395 2.8395 3.4681 3.4681 3.4793 3.4793 3.5800 3.5800 6.1698 6.1698 6.4442 6.4442 8.1151 8.1151 8.2226 8.2226 8.3827 8.3827 8.5332 8.5332 8.5721 8.5721 8.6821 8.6821 8.8123 8.8123 8.9236 8.9236 9.0135 9.0135 9.2129 9.2129 11.1866 11.1866 11.2800 11.2800 13.4103 13.4103 13.5531 13.5531 13.5847 13.5847 15.6161 15.6161 k = 0.4758 0.2747 0.2831 ( 2553 PWs) bands (ev): 2.8305 2.8305 2.8393 2.8393 3.4672 3.4672 3.4795 3.4795 3.5781 3.5781 6.1737 6.1737 6.4663 6.4663 8.1131 8.1131 8.2229 8.2229 8.3840 8.3840 8.5325 8.5325 8.5700 8.5700 8.6888 8.6888 8.8168 8.8168 8.9222 8.9222 9.0131 9.0131 9.2136 9.2136 11.1506 11.1506 11.2828 11.2828 13.3849 13.3849 13.5431 13.5431 13.5847 13.5847 15.6766 15.6766 k = 0.4718 0.2724 0.2963 ( 2549 PWs) bands (ev): 2.8302 2.8302 2.8390 2.8390 3.4662 3.4662 3.4798 3.4798 3.5760 3.5760 6.1785 6.1785 6.4922 6.4922 8.1096 8.1096 8.2242 8.2242 8.3854 8.3854 8.5310 8.5310 8.5697 8.5697 8.6957 8.6957 8.8215 8.8215 8.9209 8.9209 9.0128 9.0128 9.2144 9.2144 11.1093 11.1093 11.2861 11.2861 13.3531 13.3531 13.5324 13.5324 13.5867 13.5867 15.7422 15.7422 k = 0.4677 0.2701 0.3095 ( 2555 PWs) bands (ev): 2.8298 2.8298 2.8387 2.8387 3.4649 3.4649 3.4802 3.4802 3.5736 3.5736 6.1840 6.1840 6.5217 6.5217 8.1041 8.1041 8.2270 8.2270 8.3866 8.3866 8.5287 8.5287 8.5714 8.5714 8.7027 8.7027 8.8260 8.8260 8.9197 8.9197 9.0128 9.0128 9.2153 9.2153 11.0632 11.0632 11.2899 11.2899 13.3149 13.3149 13.5210 13.5210 13.5910 13.5910 15.8048 15.8048 k = 0.4637 0.2677 0.3226 ( 2553 PWs) bands (ev): 2.8293 2.8293 2.8385 2.8385 3.4635 3.4635 3.4807 3.4807 3.5712 3.5712 6.1903 6.1903 6.5546 6.5546 8.0963 8.0963 8.2314 8.2314 8.3876 8.3876 8.5255 8.5255 8.5752 8.5752 8.7098 8.7098 8.8303 8.8303 8.9189 8.9189 9.0132 9.0132 9.2165 9.2165 11.0130 11.0130 11.2941 11.2941 13.2708 13.2708 13.5088 13.5088 13.5976 13.5976 15.8420 15.8420 k = 0.4597 0.2654 0.3358 ( 2551 PWs) bands (ev): 2.8287 2.8287 2.8382 2.8382 3.4620 3.4620 3.4812 3.4812 3.5686 3.5686 6.1974 6.1974 6.5907 6.5907 8.0862 8.0862 8.2373 8.2373 8.3886 8.3886 8.5219 8.5219 8.5810 8.5810 8.7169 8.7169 8.8338 8.8338 8.9186 8.9186 9.0141 9.0141 9.2178 9.2178 10.9590 10.9590 11.2987 11.2987 13.2215 13.2215 13.4960 13.4960 13.6066 13.6066 15.8229 15.8229 k = 0.4556 0.2631 0.3490 ( 2559 PWs) bands (ev): 2.8279 2.8279 2.8378 2.8378 3.4603 3.4603 3.4816 3.4816 3.5660 3.5660 6.2053 6.2053 6.6298 6.6298 8.0738 8.0738 8.2447 8.2447 8.3893 8.3893 8.5179 8.5179 8.5886 8.5886 8.7238 8.7238 8.8363 8.8363 8.9191 8.9191 9.0157 9.0157 9.2194 9.2194 10.9018 10.9018 11.3036 11.3036 13.1674 13.1674 13.4826 13.4826 13.6176 13.6176 15.7630 15.7630 k = 0.4516 0.2607 0.3622 ( 2563 PWs) bands (ev): 2.8270 2.8270 2.8375 2.8375 3.4585 3.4585 3.4820 3.4820 3.5634 3.5634 6.2141 6.2141 6.6718 6.6718 8.0593 8.0593 8.2532 8.2532 8.3901 8.3901 8.5141 8.5141 8.5978 8.5978 8.7305 8.7305 8.8377 8.8377 8.9204 8.9204 9.0182 9.0182 9.2213 9.2213 10.8419 10.8419 11.3087 11.3087 13.1090 13.1090 13.4689 13.4689 13.6307 13.6307 15.6881 15.6881 k = 0.4476 0.2584 0.3753 ( 2569 PWs) bands (ev): 2.8259 2.8259 2.8372 2.8372 3.4567 3.4567 3.4824 3.4824 3.5608 3.5608 6.2237 6.2237 6.7162 6.7162 8.0427 8.0427 8.2627 8.2627 8.3909 8.3909 8.5103 8.5103 8.6083 8.6083 8.7371 8.7371 8.8380 8.8380 8.9225 8.9225 9.0215 9.0215 9.2235 9.2235 10.7798 10.7798 11.3141 11.3141 13.0471 13.0471 13.4549 13.4549 13.6456 13.6456 15.6083 15.6083 k = 0.4435 0.2561 0.3885 ( 2572 PWs) bands (ev): 2.8248 2.8248 2.8369 2.8369 3.4548 3.4548 3.4828 3.4828 3.5585 3.5585 6.2341 6.2341 6.7629 6.7629 8.0242 8.0242 8.2728 8.2728 8.3920 8.3920 8.5068 8.5068 8.6199 8.6199 8.7434 8.7434 8.8373 8.8373 8.9253 8.9253 9.0258 9.0258 9.2260 9.2260 10.7159 10.7159 11.3196 11.3196 12.9822 12.9822 13.4410 13.4410 13.6621 13.6621 15.5270 15.5270 k = 0.4395 0.2538 0.4017 ( 2572 PWs) bands (ev): 2.8235 2.8235 2.8367 2.8367 3.4530 3.4530 3.4831 3.4831 3.5563 3.5563 6.2454 6.2454 6.8116 6.8116 8.0041 8.0041 8.2831 8.2831 8.3937 8.3937 8.5037 8.5037 8.6322 8.6322 8.7496 8.7496 8.8360 8.8360 8.9286 8.9286 9.0312 9.0312 9.2290 9.2290 10.6506 10.6506 11.3251 11.3251 12.9149 12.9149 13.4274 13.4274 13.6801 13.6801 15.4461 15.4461 k = 0.4355 0.2514 0.4148 ( 2569 PWs) bands (ev): 2.8220 2.8220 2.8365 2.8365 3.4511 3.4511 3.4834 3.4834 3.5545 3.5545 6.2574 6.2574 6.8618 6.8618 7.9823 7.9823 8.2933 8.2933 8.3961 8.3961 8.5010 8.5010 8.6449 8.6449 8.7555 8.7555 8.8344 8.8344 8.9324 8.9324 9.0374 9.0374 9.2325 9.2325 10.5844 10.5844 11.3306 11.3306 12.8458 12.8458 13.4143 13.4143 13.6994 13.6994 15.3664 15.3664 k = 0.4315 0.2491 0.4280 ( 2569 PWs) bands (ev): 2.8204 2.8204 2.8363 2.8363 3.4493 3.4493 3.4834 3.4834 3.5528 3.5528 6.2703 6.2703 6.9133 6.9133 7.9591 7.9591 8.3030 8.3030 8.3995 8.3995 8.4989 8.4989 8.6574 8.6574 8.7613 8.7613 8.8332 8.8332 8.9367 8.9367 9.0443 9.0443 9.2365 9.2365 10.5176 10.5176 11.3361 11.3361 12.7755 12.7755 13.4019 13.4019 13.7196 13.7196 15.2887 15.2887 k = 0.4274 0.2468 0.4412 ( 2564 PWs) bands (ev): 2.8187 2.8187 2.8362 2.8362 3.4475 3.4475 3.4834 3.4834 3.5516 3.5516 6.2838 6.2838 6.9654 6.9654 7.9347 7.9347 8.3117 8.3117 8.4043 8.4043 8.4976 8.4976 8.6693 8.6693 8.7669 8.7669 8.8330 8.8330 8.9415 8.9415 9.0517 9.0517 9.2412 9.2412 10.4505 10.4505 11.3413 11.3413 12.7047 12.7047 13.3904 13.3904 13.7405 13.7405 15.2133 15.2133 k = 0.4234 0.2444 0.4543 ( 2566 PWs) bands (ev): 2.8168 2.8168 2.8360 2.8360 3.4457 3.4457 3.4831 3.4831 3.5506 3.5506 6.2981 6.2981 7.0179 7.0179 7.9091 7.9091 8.3192 8.3192 8.4103 8.4103 8.4971 8.4971 8.6797 8.6797 8.7719 8.7719 8.8348 8.8348 8.9468 8.9468 9.0592 9.0592 9.2465 9.2465 10.3836 10.3836 11.3463 11.3463 12.6341 12.6341 13.3801 13.3801 13.7618 13.7618 15.1407 15.1407 k = 0.4194 0.2421 0.4675 ( 2562 PWs) bands (ev): 2.8149 2.8149 2.8359 2.8359 3.4440 3.4440 3.4828 3.4828 3.5500 3.5500 6.3128 6.3128 7.0700 7.0700 7.8827 7.8827 8.3253 8.3253 8.4176 8.4176 8.4977 8.4977 8.6883 8.6883 8.7758 8.7758 8.8399 8.8399 8.9529 8.9529 9.0667 9.0667 9.2524 9.2524 10.3175 10.3175 11.3510 11.3510 12.5641 12.5641 13.3712 13.3712 13.7832 13.7832 15.0713 15.0713 k = 0.4153 0.2398 0.4807 ( 2566 PWs) bands (ev): 2.8128 2.8128 2.8357 2.8357 3.4423 3.4423 3.4822 3.4822 3.5496 3.5496 6.3281 6.3281 7.1211 7.1211 7.8558 7.8558 8.3301 8.3301 8.4256 8.4256 8.4998 8.4998 8.6947 8.6947 8.7776 8.7776 8.8495 8.8495 8.9597 8.9597 9.0741 9.0741 9.2590 9.2590 10.2524 10.2524 11.3551 11.3551 12.4953 12.4953 13.3639 13.3639 13.8041 13.8041 15.0054 15.0054 k = 0.4113 0.2375 0.4938 ( 2565 PWs) bands (ev): 2.8105 2.8105 2.8356 2.8356 3.4406 3.4406 3.4817 3.4817 3.5496 3.5496 6.3436 6.3436 7.1704 7.1704 7.8288 7.8288 8.3339 8.3339 8.4338 8.4338 8.5036 8.5036 8.6989 8.6989 8.7772 8.7772 8.8635 8.8635 8.9675 8.9675 9.0810 9.0810 9.2662 9.2662 10.1891 10.1891 11.3588 11.3588 12.4284 12.4284 13.3584 13.3584 13.8241 13.8241 14.9435 14.9435 k = 0.4073 0.2351 0.5070 ( 2563 PWs) bands (ev): 2.8082 2.8082 2.8356 2.8356 3.4390 3.4390 3.4811 3.4811 3.5499 3.5499 6.3593 6.3593 7.2169 7.2169 7.8025 7.8025 8.3369 8.3369 8.4413 8.4413 8.5096 8.5096 8.7015 8.7015 8.7750 8.7750 8.8814 8.8814 8.9764 8.9764 9.0877 9.0877 9.2736 9.2736 10.1283 10.1283 11.3617 11.3617 12.3636 12.3636 13.3549 13.3549 13.8427 13.8427 14.8863 14.8863 k = 0.4032 0.2328 0.5202 ( 2563 PWs) bands (ev): 2.8058 2.8058 2.8355 2.8355 3.4374 3.4374 3.4804 3.4804 3.5504 3.5504 6.3748 6.3748 7.2592 7.2592 7.7778 7.7778 8.3393 8.3393 8.4479 8.4479 8.5178 8.5178 8.7027 8.7027 8.7715 8.7715 8.9019 8.9019 8.9865 8.9865 9.0940 9.0940 9.2810 9.2810 10.0707 10.0707 11.3639 11.3639 12.3016 12.3016 13.3535 13.3535 13.8590 13.8590 14.8343 14.8343 k = 0.3992 0.2305 0.5334 ( 2573 PWs) bands (ev): 2.8033 2.8033 2.8354 2.8354 3.4357 3.4357 3.4796 3.4796 3.5510 3.5510 6.3899 6.3899 7.2959 7.2959 7.7561 7.7561 8.3413 8.3413 8.4534 8.4534 8.5278 8.5278 8.7030 8.7030 8.7670 8.7670 8.9237 8.9237 8.9980 8.9980 9.1006 9.1006 9.2879 9.2879 10.0171 10.0171 11.3652 11.3652 12.2426 12.2426 13.3544 13.3544 13.8724 13.8724 14.7883 14.7883 k = 0.3952 0.2281 0.5465 ( 2574 PWs) bands (ev): 2.8007 2.8007 2.8354 2.8354 3.4341 3.4341 3.4790 3.4790 3.5519 3.5519 6.4043 6.4043 7.3248 7.3248 7.7392 7.7392 8.3430 8.3430 8.4581 8.4581 8.5394 8.5394 8.7028 8.7028 8.7618 8.7618 8.9455 8.9455 9.0110 9.0110 9.1080 9.1080 9.2938 9.2938 9.9689 9.9689 11.3657 11.3657 12.1869 12.1869 13.3577 13.3577 13.8821 13.8821 14.7492 14.7492 k = 0.3911 0.2258 0.5597 ( 2570 PWs) bands (ev): 2.7982 2.7982 2.8354 2.8354 3.4325 3.4325 3.4785 3.4785 3.5529 3.5529 6.4175 6.4175 7.3440 7.3440 7.7291 7.7291 8.3445 8.3445 8.4624 8.4624 8.5519 8.5519 8.7024 8.7024 8.7561 8.7561 8.9659 8.9659 9.0250 9.0250 9.1175 9.1175 9.2983 9.2983 9.9271 9.9271 11.3650 11.3650 12.1348 12.1348 13.3634 13.3634 13.8873 13.8873 14.7177 14.7177 k = 0.3871 0.2235 0.5729 ( 2576 PWs) bands (ev): 2.7955 2.7955 2.8355 2.8355 3.4308 3.4308 3.4780 3.4780 3.5539 3.5539 6.4288 6.4288 7.3520 7.3520 7.7274 7.7274 8.3459 8.3459 8.4664 8.4664 8.5647 8.5647 8.7019 8.7019 8.7502 8.7502 8.9838 8.9838 9.0385 9.0385 9.1305 9.1305 9.3011 9.3011 9.8929 9.8929 11.3633 11.3633 12.0865 12.0865 13.3717 13.3717 13.8875 13.8875 14.6944 14.6944 k = 0.3831 0.2212 0.5860 ( 2578 PWs) bands (ev): 2.7929 2.7929 2.8356 2.8356 3.4291 3.4291 3.4777 3.4777 3.5549 3.5549 6.4377 6.4377 7.3491 7.3491 7.7342 7.7342 8.3471 8.3471 8.4703 8.4703 8.5773 8.5773 8.7015 8.7015 8.7443 8.7443 8.9993 8.9993 9.0494 9.0494 9.1475 9.1475 9.3031 9.3031 9.8676 9.8676 11.3604 11.3604 12.0421 12.0421 13.3824 13.3824 13.8825 13.8825 14.6797 14.6797 k = 0.3790 0.2188 0.5992 ( 2574 PWs) bands (ev): 2.7903 2.7903 2.8358 2.8358 3.4274 3.4274 3.4776 3.4776 3.5560 3.5560 6.4434 6.4434 7.3370 7.3370 7.7482 7.7482 8.3483 8.3483 8.4743 8.4743 8.5894 8.5894 8.7011 8.7011 8.7387 8.7387 9.0128 9.0128 9.0570 9.0570 9.1657 9.1657 9.3069 9.3069 9.8517 9.8517 11.3562 11.3562 12.0016 12.0016 13.3956 13.3956 13.8724 13.8724 14.6734 14.6734 k = 0.3750 0.2165 0.6124 ( 2574 PWs) bands (ev): 2.7877 2.7877 2.8359 2.8359 3.4257 3.4257 3.4776 3.4776 3.5570 3.5570 6.4449 6.4449 7.3188 7.3188 7.7672 7.7672 8.3494 8.3494 8.4785 8.4785 8.6004 8.6004 8.7007 8.7007 8.7340 8.7340 9.0244 9.0244 9.0619 9.0619 9.1789 9.1789 9.3175 9.3175 9.8457 9.8457 11.3507 11.3507 11.9649 11.9649 13.4111 13.4111 13.8581 13.8581 14.6582 14.6582 k = 0.6250-0.0722 0.4082 ( 2574 PWs) bands (ev): 2.7877 2.7877 2.8359 2.8359 3.4257 3.4257 3.4776 3.4776 3.5570 3.5570 6.4449 6.4449 7.3188 7.3188 7.7672 7.7672 8.3494 8.3494 8.4785 8.4785 8.6004 8.6004 8.7007 8.7007 8.7340 8.7340 9.0244 9.0244 9.0619 9.0619 9.1789 9.1789 9.3175 9.3175 9.8457 9.8457 11.3507 11.3507 11.9649 11.9649 13.4111 13.4111 13.8581 13.8581 14.6582 14.6582 k = 0.6181-0.0842 0.4082 ( 2578 PWs) bands (ev): 2.7831 2.7831 2.8362 2.8362 3.4226 3.4226 3.4777 3.4777 3.5587 3.5587 6.4415 6.4415 7.2848 7.2848 7.8029 7.8029 8.3511 8.3511 8.4859 8.4859 8.6175 8.6175 8.6990 8.6990 8.7276 8.7276 9.0395 9.0395 9.0702 9.0702 9.1822 9.1822 9.3614 9.3614 9.8436 9.8436 11.3411 11.3411 11.9068 11.9068 13.4390 13.4390 13.8317 13.8317 14.5637 14.5637 k = 0.6111-0.0962 0.4082 ( 2582 PWs) bands (ev): 2.7786 2.7786 2.8364 2.8364 3.4195 3.4195 3.4777 3.4777 3.5605 3.5605 6.4351 6.4351 7.2528 7.2528 7.8374 7.8374 8.3527 8.3527 8.4933 8.4933 8.6333 8.6333 8.6957 8.6957 8.7225 8.7225 9.0469 9.0469 9.0822 9.0822 9.1723 9.1723 9.4286 9.4286 9.8415 9.8415 11.3331 11.3331 11.8521 11.8521 13.4653 13.4653 13.8082 13.8082 14.4709 14.4709 k = 0.6042-0.1083 0.4082 ( 2582 PWs) bands (ev): 2.7740 2.7740 2.8365 2.8365 3.4164 3.4164 3.4777 3.4777 3.5624 3.5624 6.4264 6.4264 7.2227 7.2227 7.8705 7.8705 8.3544 8.3544 8.5007 8.5007 8.6476 8.6476 8.6908 8.6908 8.7190 8.7190 9.0470 9.0470 9.0953 9.0953 9.1614 9.1614 9.5082 9.5082 9.8397 9.8397 11.3267 11.3267 11.8009 11.8009 13.4899 13.4899 13.7873 13.7873 14.3810 14.3810 k = 0.5972-0.1203 0.4082 ( 2562 PWs) bands (ev): 2.7698 2.7698 2.8367 2.8367 3.4136 3.4136 3.4779 3.4779 3.5643 3.5643 6.4162 6.4162 7.1947 7.1947 7.9019 7.9019 8.3561 8.3561 8.5083 8.5083 8.6606 8.6606 8.6849 8.6849 8.7167 8.7167 9.0415 9.0415 9.1027 9.1027 9.1588 9.1588 9.5948 9.5948 9.8385 9.8385 11.3218 11.3218 11.7529 11.7529 13.5130 13.5130 13.7689 13.7689 14.2945 14.2945 k = 0.5903-0.1323 0.4082 ( 2568 PWs) bands (ev): 2.7654 2.7654 2.8366 2.8366 3.4107 3.4107 3.4779 3.4779 3.5661 3.5661 6.4050 6.4050 7.1687 7.1687 7.9315 7.9315 8.3577 8.3577 8.5157 8.5157 8.6704 8.6704 8.6798 8.6798 8.7151 8.7151 9.0301 9.0301 9.1017 9.1017 9.1681 9.1681 9.6846 9.6846 9.8390 9.8390 11.3183 11.3183 11.7080 11.7080 13.5344 13.5344 13.7528 13.7528 14.2117 14.2117 k = 0.5833-0.1443 0.4082 ( 2560 PWs) bands (ev): 2.7612 2.7612 2.8365 2.8365 3.4080 3.4080 3.4779 3.4779 3.5680 3.5680 6.3934 6.3934 7.1446 7.1446 7.9592 7.9592 8.3594 8.3594 8.5232 8.5232 8.6691 8.6691 8.6845 8.6845 8.7140 8.7140 9.0135 9.0135 9.0979 9.0979 9.1844 9.1844 9.7685 9.7685 9.8483 9.8483 11.3160 11.3160 11.6663 11.6663 13.5540 13.5540 13.7388 13.7388 14.1329 14.1329 k = 0.5764-0.1564 0.4082 ( 2560 PWs) bands (ev): 2.7572 2.7572 2.8363 2.8363 3.4053 3.4053 3.4779 3.4779 3.5697 3.5697 6.3817 6.3817 7.1225 7.1225 7.9851 7.9851 8.3610 8.3610 8.5309 8.5309 8.6627 8.6627 8.6929 8.6929 8.7130 8.7130 8.9932 8.9932 9.0945 9.0945 9.2027 9.2027 9.8097 9.8097 9.9020 9.9020 11.3146 11.3146 11.6276 11.6276 13.5719 13.5719 13.7268 13.7268 14.0585 14.0585 k = 0.5694-0.1684 0.4082 ( 2558 PWs) bands (ev): 2.7533 2.7533 2.8361 2.8361 3.4029 3.4029 3.4778 3.4778 3.5714 3.5714 6.3702 6.3702 7.1023 7.1023 8.0092 8.0092 8.3625 8.3625 8.5386 8.5386 8.6562 8.6562 8.7001 8.7001 8.7124 8.7124 8.9708 8.9708 9.0920 9.0920 9.2214 9.2214 9.8158 9.8158 9.9910 9.9910 11.3138 11.3138 11.5920 11.5920 13.5879 13.5879 13.7164 13.7164 13.9891 13.9891 k = 0.5625-0.1804 0.4082 ( 2554 PWs) bands (ev): 2.7498 2.7498 2.8359 2.8359 3.4006 3.4006 3.4778 3.4778 3.5730 3.5730 6.3592 6.3592 7.0842 7.0842 8.0314 8.0314 8.3640 8.3640 8.5467 8.5467 8.6500 8.6500 8.7052 8.7052 8.7129 8.7129 8.9477 8.9477 9.0901 9.0901 9.2396 9.2396 9.8161 9.8161 10.0844 10.0844 11.3132 11.3132 11.5594 11.5594 13.6020 13.6020 13.7074 13.7074 13.9252 13.9252 k = 0.5556-0.1925 0.4082 ( 2552 PWs) bands (ev): 2.7465 2.7465 2.8357 2.8357 3.3985 3.3985 3.4777 3.4777 3.5745 3.5745 6.3489 6.3489 7.0679 7.0679 8.0518 8.0518 8.3654 8.3654 8.5551 8.5551 8.6442 8.6442 8.7064 8.7064 8.7160 8.7160 8.9246 8.9246 9.0886 9.0886 9.2566 9.2566 9.8151 9.8151 10.1765 10.1765 11.3122 11.3122 11.5301 11.5301 13.6141 13.6141 13.6993 13.6993 13.8676 13.8676 k = 0.5486-0.2045 0.4082 ( 2546 PWs) bands (ev): 2.7436 2.7436 2.8354 2.8354 3.3966 3.3966 3.4777 3.4777 3.5759 3.5759 6.3394 6.3394 7.0536 7.0536 8.0703 8.0703 8.3667 8.3667 8.5638 8.5638 8.6390 8.6390 8.7052 8.7052 8.7202 8.7202 8.9023 8.9023 9.0874 9.0874 9.2724 9.2724 9.8138 9.8138 10.2648 10.2648 11.3103 11.3103 11.5044 11.5044 13.6242 13.6242 13.6911 13.6911 13.8174 13.8174 k = 0.5417-0.2165 0.4082 ( 2546 PWs) bands (ev): 2.7409 2.7409 2.8352 2.8352 3.3950 3.3950 3.4777 3.4777 3.5771 3.5771 6.3310 6.3310 7.0413 7.0413 8.0867 8.0867 8.3677 8.3677 8.5729 8.5729 8.6344 8.6344 8.7030 8.7030 8.7239 8.7239 8.8812 8.8812 9.0864 9.0864 9.2865 9.2865 9.8125 9.8125 10.3475 10.3475 11.3067 11.3067 11.4827 11.4827 13.6321 13.6321 13.6812 13.6812 13.7769 13.7769 k = 0.5347-0.2285 0.4082 ( 2546 PWs) bands (ev): 2.7386 2.7386 2.8349 2.8349 3.3935 3.3935 3.4776 3.4776 3.5782 3.5782 6.3237 6.3237 7.0308 7.0308 8.1010 8.1010 8.3685 8.3685 8.5824 8.5824 8.6304 8.6304 8.6998 8.6998 8.7270 8.7270 8.8622 8.8622 9.0855 9.0855 9.2987 9.2987 9.8113 9.8113 10.4229 10.4229 11.3010 11.3010 11.4653 11.4653 13.6379 13.6379 13.6674 13.6674 13.7484 13.7484 k = 0.5278-0.2406 0.4082 ( 2550 PWs) bands (ev): 2.7367 2.7367 2.8347 2.8347 3.3923 3.3923 3.4775 3.4775 3.5790 3.5790 6.3176 6.3176 7.0223 7.0223 8.1130 8.1130 8.3690 8.3690 8.5921 8.5921 8.6272 8.6272 8.6958 8.6958 8.7294 8.7294 8.8456 8.8456 9.0847 9.0847 9.3090 9.3090 9.8102 9.8102 10.4890 10.4890 11.2934 11.2934 11.4523 11.4523 13.6398 13.6398 13.6511 13.6511 13.7324 13.7324 k = 0.5208-0.2526 0.4082 ( 2550 PWs) bands (ev): 2.7352 2.7352 2.8346 2.8346 3.3914 3.3914 3.4775 3.4775 3.5797 3.5797 6.3128 6.3128 7.0157 7.0157 8.1225 8.1225 8.3694 8.3694 8.6017 8.6017 8.6246 8.6246 8.6908 8.6908 8.7312 8.7312 8.8323 8.8323 9.0841 9.0841 9.3171 9.3171 9.8094 9.8094 10.5438 10.5438 11.2846 11.2846 11.4434 11.4434 13.6272 13.6272 13.6474 13.6474 13.7249 13.7249 k = 0.5139-0.2646 0.4082 ( 2558 PWs) bands (ev): 2.7340 2.7340 2.8344 2.8344 3.3906 3.3906 3.4774 3.4774 3.5801 3.5801 6.3093 6.3093 7.0109 7.0109 8.1294 8.1294 8.3697 8.3697 8.6104 8.6104 8.6228 8.6228 8.6854 8.6854 8.7324 8.7324 8.8224 8.8224 9.0836 9.0836 9.3230 9.3230 9.8087 9.8087 10.5853 10.5853 11.2762 11.2762 11.4379 11.4379 13.6122 13.6122 13.6485 13.6485 13.7216 13.7216 k = 0.5069-0.2766 0.4082 ( 2558 PWs) bands (ev): 2.7334 2.7334 2.8343 2.8343 3.3902 3.3902 3.4774 3.4774 3.5805 3.5805 6.3072 6.3072 7.0081 7.0081 8.1337 8.1337 8.3698 8.3698 8.6168 8.6168 8.6219 8.6219 8.6808 8.6808 8.7331 8.7331 8.8165 8.8165 9.0833 9.0833 9.3266 9.3266 9.8083 9.8083 10.6112 10.6112 11.2702 11.2702 11.4350 11.4350 13.6023 13.6023 13.6493 13.6493 13.7202 13.7202 k = 0.5000-0.2887 0.4082 ( 2538 PWs) bands (ev): 2.7333 2.7333 2.8344 2.8344 3.3903 3.3903 3.4775 3.4775 3.5808 3.5808 6.3065 6.3065 7.0072 7.0072 8.1351 8.1351 8.3698 8.3698 8.6192 8.6192 8.6221 8.6221 8.6790 8.6790 8.7335 8.7335 8.8145 8.8145 9.0832 9.0832 9.3281 9.3281 9.8082 9.8082 10.6201 10.6201 11.2680 11.2680 11.4341 11.4341 13.5990 13.5990 13.6496 13.6496 13.7199 13.7199 Writing output data file ZrCdCu2.save init_run : 0.30s CPU 0.53s WALL ( 1 calls) electrons : 114.56s CPU 117.59s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.05s WALL ( 1 calls) potinit : 0.03s CPU 0.07s WALL ( 1 calls) Called by electrons: c_bands : 114.55s CPU 117.58s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.01s WALL ( 1 calls) newd : 0.07s CPU 0.13s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.04s CPU 0.05s WALL ( 333 calls) cegterg : 102.12s CPU 103.71s WALL ( 337 calls) Called by sum_band: Called by *egterg: h_psi : 62.29s CPU 63.60s WALL ( 5955 calls) s_psi : 3.10s CPU 3.00s WALL ( 5955 calls) g_psi : 0.10s CPU 0.12s WALL ( 5285 calls) cdiaghg : 38.23s CPU 38.80s WALL ( 5618 calls) cegterg:over : 3.49s CPU 3.35s WALL ( 5285 calls) cegterg:upda : 2.30s CPU 2.33s WALL ( 5285 calls) cegterg:last : 1.20s CPU 1.31s WALL ( 1004 calls) cdiaghg:chol : 2.08s CPU 2.09s WALL ( 5618 calls) cdiaghg:inve : 1.46s CPU 1.42s WALL ( 5618 calls) cdiaghg:para : 2.32s CPU 2.26s WALL ( 11236 calls) Called by h_psi: h_psi:vloc : 55.78s CPU 56.66s WALL ( 5955 calls) h_psi:vnl : 6.42s CPU 6.83s WALL ( 5955 calls) add_vuspsi : 3.48s CPU 3.65s WALL ( 5955 calls) General routines calbec : 2.92s CPU 3.17s WALL ( 5955 calls) fft : 0.00s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 51.07s CPU 51.50s WALL ( 673308 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.10s CPU 0.13s WALL ( 666 calls) Parallel routines fft_scatter : 19.00s CPU 18.99s WALL ( 673331 calls) PWSCF : 2m 6.66s CPU 2m19.61s WALL This run was terminated on: 16:47: 6 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=