Program PWSCF v.5.3.0 (svn rev. 11974) starts on 24Dec2016 at 18:18:50 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: ./Be2Ag.save/ file Be.rel-pbe-s-rrkjus_psl.1.0.0.UPF: wavefunction(s) 2P 2P 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 118 44 12 5089 1139 172 Max 119 45 13 5092 1169 177 Sum 4267 1585 439 183239 41559 6231 bravais-lattice index = 14 lattice parameter (alat) = 8.4183 a.u. unit-cell volume = 421.8501 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 2 number of electrons = 38.00 number of Kohn-Sham states= 46 kinetic-energy cutoff = 81.0000 Ry charge density cutoff = 871.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.418300 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 Be read from file: /users/gautes/Pseudo/Be.rel-pbe-s-rrkjus_psl.1.0.0.UPF MD5 check sum: 56f92c253d4d86db330921f37562b9e7 Pseudo is Ultrasoft, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1041 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Ag read from file: /users/gautes/Pseudo/Ag.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 30ab375624a706b88a092e30a79375fd Pseudo is Ultrasoft + core correction, Zval = 11.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1237 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Be 4.00 9.01220 Be( 1.00) Ag 11.00 107.86820 Ag( 1.00) 12 Sym. Ops., with inversion, found (10 have fractional translation) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [1,0,0] cryst. s( 2) = ( 1 0 0 ) f =( 0.0000000 ) ( 1 -1 0 ) ( 0.5000000 ) ( 1 0 -1 ) ( -0.5000000 ) cart. s( 2) = ( 1.0000000 0.0000000 -0.0000000 ) f =( -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.2886751 ) ( 0.0000000 0.0000000 -1.0000000 ) ( -0.4082483 ) isym = 3 120 deg rotation - cryst. axis [0,0,1] cryst. s( 3) = ( -1 1 0 ) f =( 0.5000000 ) ( -1 0 0 ) ( 0.0000000 ) ( -1 0 1 ) ( 0.0000000 ) cart. s( 3) = ( -0.5000000 -0.8660254 0.0000000 ) f =( 0.5000000 ) ( 0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 4 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 4) = ( 0 -1 0 ) f =( 0.0000000 ) ( 1 -1 0 ) ( 0.5000000 ) ( 0 -1 1 ) ( 0.0000000 ) cart. s( 4) = ( -0.5000000 0.8660254 0.0000000 ) f =( 0.2500000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.4330127 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 5 180 deg rotation - cryst. axis [0,1,0] cryst. s( 5) = ( 0 -1 0 ) f =( 0.5000000 ) ( -1 0 0 ) ( 0.5000000 ) ( 0 0 -1 ) ( -0.5000000 ) cart. s( 5) = ( -0.5000000 -0.8660254 0.0000000 ) f =( 0.5000000 ) ( -0.8660254 0.5000000 0.0000000 ) ( 0.2886751 ) ( 0.0000000 0.0000000 -1.0000000 ) ( -0.4082483 ) isym = 6 180 deg rotation - cryst. axis [1,1,0] cryst. s( 6) = ( -1 1 0 ) f =( -0.5000000 ) ( 0 1 0 ) ( 0.0000000 ) ( 0 1 -1 ) ( -0.5000000 ) cart. s( 6) = ( -0.5000000 0.8660254 -0.0000000 ) f =( -0.7500000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( -0.1443376 ) ( 0.0000000 0.0000000 -1.0000000 ) ( -0.4082483 ) isym = 7 inversion cryst. s( 7) = ( -1 0 0 ) f =( -0.5000000 ) ( 0 -1 0 ) ( 0.5000000 ) ( 0 0 -1 ) ( -0.5000000 ) cart. s( 7) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.5000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.2886751 ) ( 0.0000000 0.0000000 -1.0000000 ) ( -0.4082483 ) isym = 8 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 8) = ( -1 0 0 ) f =( -0.5000000 ) ( -1 1 0 ) ( 0.0000000 ) ( -1 0 1 ) ( 0.0000000 ) cart. s( 8) = ( -1.0000000 -0.0000000 0.0000000 ) f =( -0.5000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 9 inv. 120 deg rotation - cryst. axis [0,0,1] cryst. s( 9) = ( 1 -1 0 ) f =( 0.0000000 ) ( 1 0 0 ) ( 0.5000000 ) ( 1 0 -1 ) ( -0.5000000 ) cart. s( 9) = ( 0.5000000 0.8660254 -0.0000000 ) f =( -0.0000000 ) ( -0.8660254 0.5000000 0.0000000 ) ( 0.2886751 ) ( 0.0000000 0.0000000 -1.0000000 ) ( -0.4082483 ) isym = 10 inv. 120 deg rotation - cryst. axis [0,0,-1] cryst. s(10) = ( 0 1 0 ) f =( 0.5000000 ) ( -1 1 0 ) ( 0.0000000 ) ( 0 1 -1 ) ( -0.5000000 ) cart. s(10) = ( 0.5000000 -0.8660254 -0.0000000 ) f =( 0.2500000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( -0.1443376 ) ( 0.0000000 0.0000000 -1.0000000 ) ( -0.4082483 ) isym = 11 inv. 180 deg rotation - cryst. axis [0,1,0] cryst. s(11) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s(11) = ( 0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 12 inv. 180 deg rotation - cryst. axis [1,1,0] cryst. s(12) = ( 1 -1 0 ) f =( 0.0000000 ) ( 0 -1 0 ) ( 0.5000000 ) ( 0 -1 1 ) ( 0.0000000 ) cart. s(12) = ( 0.5000000 -0.8660254 0.0000000 ) f =( 0.2500000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.4330127 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) double point group D_3d (-3m) there are 12 classes and 6 irreducible representations the character table: E -E 2C3 -2C3 3C2' -3C2' i -i 2S6 -2S6 3s_v -3s_v G_4+ 2.00 -2.00 1.00 -1.00 0.00 0.00 2.00 -2.00 1.00 -1.00 0.00 0.00 G_5+ 1.00 -1.00 -1.00 1.00 0.00 0.00 1.00 -1.00 -1.00 1.00 0.00 0.00 G_6+ 1.00 -1.00 -1.00 1.00 0.00 0.00 1.00 -1.00 -1.00 1.00 0.00 0.00 G_4- 2.00 -2.00 1.00 -1.00 0.00 0.00 -2.00 2.00 -1.00 1.00 0.00 0.00 G_5- 1.00 -1.00 -1.00 1.00 0.00 0.00 -1.00 1.00 1.00 -1.00 0.00 0.00 G_6- 1.00 -1.00 -1.00 1.00 0.00 0.00 -1.00 1.00 1.00 -1.00 0.00 0.00 imaginary part E -E 2C3 -2C3 3C2' -3C2' i -i 2S6 -2S6 3s_v -3s_v G_4+ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 G_5+ 0.00 0.00 0.00 0.00 1.00 -1.00 0.00 0.00 0.00 0.00 1.00 -1.00 G_6+ 0.00 0.00 0.00 0.00 -1.00 1.00 0.00 0.00 0.00 0.00 -1.00 1.00 G_4- 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 G_5- 0.00 0.00 0.00 0.00 1.00 -1.00 0.00 0.00 0.00 0.00 -1.00 1.00 G_6- 0.00 0.00 0.00 0.00 -1.00 1.00 0.00 0.00 0.00 0.00 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E 2C3 3 4 120 deg rotation - cryst. axis [0,0,1] -2C3 -3 -4 120 deg rotation - cryst. axis [0,0,1] E 3C2' 2 5 -6 180 deg rotation - cart. axis [1,0,0] 3C2' 6 -5 -2 180 deg rotation - cryst. axis [1,1,0] i 7 inversion -i -7 inversion E 2S6 9 10 inv. 120 deg rotation - cryst. axis [0,0,1] -2S6 -9 -10 inv. 120 deg rotation - cryst. axis [0,0,1] E 3s_v 8 11 -12 inv. 180 deg rotation - cart. axis [1,0,0] 3s_v 12 -11 -8 inv. 180 deg rotation - cryst. axis [1,1,0] Cartesian axes number of k points= 334 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029940 k( 2) = ( 0.0100000 -0.0057735 0.0081650), wk = 0.0029940 k( 3) = ( 0.0200000 -0.0115470 0.0163299), wk = 0.0029940 k( 4) = ( 0.0300000 -0.0173205 0.0244949), wk = 0.0029940 k( 5) = ( 0.0400000 -0.0230940 0.0326599), wk = 0.0029940 k( 6) = ( 0.0500000 -0.0288675 0.0408248), wk = 0.0029940 k( 7) = ( 0.0600000 -0.0346410 0.0489898), wk = 0.0029940 k( 8) = ( 0.0700000 -0.0404145 0.0571548), wk = 0.0029940 k( 9) = ( 0.0800000 -0.0461880 0.0653197), wk = 0.0029940 k( 10) = ( 0.0900000 -0.0519615 0.0734847), wk = 0.0029940 k( 11) = ( 0.1000000 -0.0577350 0.0816497), wk = 0.0029940 k( 12) = ( 0.1100000 -0.0635085 0.0898146), wk = 0.0029940 k( 13) = ( 0.1200000 -0.0692820 0.0979796), wk = 0.0029940 k( 14) = ( 0.1300000 -0.0750555 0.1061446), wk = 0.0029940 k( 15) = ( 0.1400000 -0.0808290 0.1143095), wk = 0.0029940 k( 16) = ( 0.1500000 -0.0866025 0.1224745), wk = 0.0029940 k( 17) = ( 0.1600000 -0.0923760 0.1306395), wk = 0.0029940 k( 18) = ( 0.1700000 -0.0981495 0.1388044), wk = 0.0029940 k( 19) = ( 0.1800000 -0.1039230 0.1469694), wk = 0.0029940 k( 20) = ( 0.1900000 -0.1096966 0.1551344), wk = 0.0029940 k( 21) = ( 0.2000000 -0.1154701 0.1632993), wk = 0.0029940 k( 22) = ( 0.2100000 -0.1212436 0.1714643), wk = 0.0029940 k( 23) = ( 0.2200000 -0.1270171 0.1796292), wk = 0.0029940 k( 24) = ( 0.2300000 -0.1327906 0.1877942), wk = 0.0029940 k( 25) = ( 0.2400000 -0.1385641 0.1959592), wk = 0.0029940 k( 26) = ( 0.2500000 -0.1443376 0.2041241), wk = 0.0029940 k( 27) = ( 0.2600000 -0.1501111 0.2122891), wk = 0.0029940 k( 28) = ( 0.2700000 -0.1558846 0.2204541), wk = 0.0029940 k( 29) = ( 0.2800000 -0.1616581 0.2286190), wk = 0.0029940 k( 30) = ( 0.2900000 -0.1674316 0.2367840), wk = 0.0029940 k( 31) = ( 0.3000000 -0.1732051 0.2449490), wk = 0.0029940 k( 32) = ( 0.3100000 -0.1789786 0.2531139), wk = 0.0029940 k( 33) = ( 0.3200000 -0.1847521 0.2612789), wk = 0.0029940 k( 34) = ( 0.3300000 -0.1905256 0.2694439), wk = 0.0029940 k( 35) = ( 0.3400000 -0.1962991 0.2776088), wk = 0.0029940 k( 36) = ( 0.3500000 -0.2020726 0.2857738), wk = 0.0029940 k( 37) = ( 0.3600000 -0.2078461 0.2939388), wk = 0.0029940 k( 38) = ( 0.3700000 -0.2136196 0.3021037), wk = 0.0029940 k( 39) = ( 0.3800000 -0.2193931 0.3102687), wk = 0.0029940 k( 40) = ( 0.3900000 -0.2251666 0.3184337), wk = 0.0029940 k( 41) = ( 0.4000000 -0.2309401 0.3265986), wk = 0.0029940 k( 42) = ( 0.4100000 -0.2367136 0.3347636), wk = 0.0029940 k( 43) = ( 0.4200000 -0.2424871 0.3429286), wk = 0.0029940 k( 44) = ( 0.4300000 -0.2482606 0.3510935), wk = 0.0029940 k( 45) = ( 0.4400000 -0.2540341 0.3592585), wk = 0.0029940 k( 46) = ( 0.4500000 -0.2598076 0.3674235), wk = 0.0029940 k( 47) = ( 0.4600000 -0.2655811 0.3755884), wk = 0.0029940 k( 48) = ( 0.4700000 -0.2713546 0.3837534), wk = 0.0029940 k( 49) = ( 0.4800000 -0.2771281 0.3919184), wk = 0.0029940 k( 50) = ( 0.4900000 -0.2829016 0.4000833), wk = 0.0029940 k( 51) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0029940 k( 52) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0029940 k( 53) = ( 0.5000000 -0.2771281 0.4164133), wk = 0.0029940 k( 54) = ( 0.5000000 -0.2655811 0.4245782), wk = 0.0029940 k( 55) = ( 0.5000000 -0.2540341 0.4327432), wk = 0.0029940 k( 56) = ( 0.5000000 -0.2424871 0.4409082), wk = 0.0029940 k( 57) = ( 0.5000000 -0.2309401 0.4490731), wk = 0.0029940 k( 58) = ( 0.5000000 -0.2193931 0.4572381), wk = 0.0029940 k( 59) = ( 0.5000000 -0.2078461 0.4654031), wk = 0.0029940 k( 60) = ( 0.5000000 -0.1962991 0.4735680), wk = 0.0029940 k( 61) = ( 0.5000000 -0.1847521 0.4817330), wk = 0.0029940 k( 62) = ( 0.5000000 -0.1732051 0.4898979), wk = 0.0029940 k( 63) = ( 0.5000000 -0.1616581 0.4980629), wk = 0.0029940 k( 64) = ( 0.5000000 -0.1501111 0.5062279), wk = 0.0029940 k( 65) = ( 0.5000000 -0.1385641 0.5143928), wk = 0.0029940 k( 66) = ( 0.5000000 -0.1270171 0.5225578), wk = 0.0029940 k( 67) = ( 0.5000000 -0.1154701 0.5307228), wk = 0.0029940 k( 68) = ( 0.5000000 -0.1039230 0.5388877), wk = 0.0029940 k( 69) = ( 0.5000000 -0.0923760 0.5470527), wk = 0.0029940 k( 70) = ( 0.5000000 -0.0808290 0.5552177), wk = 0.0029940 k( 71) = ( 0.5000000 -0.0692820 0.5633826), wk = 0.0029940 k( 72) = ( 0.5000000 -0.0577350 0.5715476), wk = 0.0029940 k( 73) = ( 0.5000000 -0.0461880 0.5797126), wk = 0.0029940 k( 74) = ( 0.5000000 -0.0346410 0.5878775), wk = 0.0029940 k( 75) = ( 0.5000000 -0.0230940 0.5960425), wk = 0.0029940 k( 76) = ( 0.5000000 -0.0115470 0.6042075), wk = 0.0029940 k( 77) = ( 0.5000000 0.0000000 0.6123724), wk = 0.0029940 k( 78) = ( 0.5000000 0.0000000 0.6123724), wk = 0.0029940 k( 79) = ( 0.4930556 0.0120281 0.6123724), wk = 0.0029940 k( 80) = ( 0.4861111 0.0240563 0.6123724), wk = 0.0029940 k( 81) = ( 0.4791667 0.0360844 0.6123724), wk = 0.0029940 k( 82) = ( 0.4722222 0.0481125 0.6123724), wk = 0.0029940 k( 83) = ( 0.4652778 0.0601406 0.6123724), wk = 0.0029940 k( 84) = ( 0.4583333 0.0721688 0.6123724), wk = 0.0029940 k( 85) = ( 0.4513889 0.0841969 0.6123724), wk = 0.0029940 k( 86) = ( 0.4444444 0.0962251 0.6123724), wk = 0.0029940 k( 87) = ( 0.4375000 0.1082532 0.6123724), wk = 0.0029940 k( 88) = ( 0.4305556 0.1202813 0.6123724), wk = 0.0029940 k( 89) = ( 0.4236111 0.1323094 0.6123724), wk = 0.0029940 k( 90) = ( 0.4166667 0.1443376 0.6123724), wk = 0.0029940 k( 91) = ( 0.4097222 0.1563657 0.6123724), wk = 0.0029940 k( 92) = ( 0.4027778 0.1683938 0.6123724), wk = 0.0029940 k( 93) = ( 0.3958333 0.1804220 0.6123724), wk = 0.0029940 k( 94) = ( 0.3888889 0.1924501 0.6123724), wk = 0.0029940 k( 95) = ( 0.3819444 0.2044782 0.6123724), wk = 0.0029940 k( 96) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0029940 k( 97) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0029940 k( 98) = ( 0.3679245 0.2124213 0.6008182), wk = 0.0029940 k( 99) = ( 0.3608491 0.2083363 0.5892640), wk = 0.0029940 k( 100) = ( 0.3537736 0.2042513 0.5777098), wk = 0.0029940 k( 101) = ( 0.3466981 0.2001662 0.5661557), wk = 0.0029940 k( 102) = ( 0.3396226 0.1960812 0.5546014), wk = 0.0029940 k( 103) = ( 0.3325472 0.1919962 0.5430473), wk = 0.0029940 k( 104) = ( 0.3254717 0.1879112 0.5314931), wk = 0.0029940 k( 105) = ( 0.3183962 0.1838261 0.5199389), wk = 0.0029940 k( 106) = ( 0.3113207 0.1797411 0.5083847), wk = 0.0029940 k( 107) = ( 0.3042453 0.1756561 0.4968305), wk = 0.0029940 k( 108) = ( 0.2971698 0.1715711 0.4852763), wk = 0.0029940 k( 109) = ( 0.2900943 0.1674860 0.4737221), wk = 0.0029940 k( 110) = ( 0.2830189 0.1634010 0.4621679), wk = 0.0029940 k( 111) = ( 0.2759434 0.1593160 0.4506137), wk = 0.0029940 k( 112) = ( 0.2688679 0.1552310 0.4390595), wk = 0.0029940 k( 113) = ( 0.2617925 0.1511459 0.4275053), wk = 0.0029940 k( 114) = ( 0.2547170 0.1470609 0.4159511), wk = 0.0029940 k( 115) = ( 0.2476415 0.1429759 0.4043969), wk = 0.0029940 k( 116) = ( 0.2405660 0.1388909 0.3928427), wk = 0.0029940 k( 117) = ( 0.2334906 0.1348058 0.3812885), wk = 0.0029940 k( 118) = ( 0.2264151 0.1307208 0.3697343), wk = 0.0029940 k( 119) = ( 0.2193396 0.1266358 0.3581801), wk = 0.0029940 k( 120) = ( 0.2122642 0.1225508 0.3466259), wk = 0.0029940 k( 121) = ( 0.2051887 0.1184657 0.3350717), wk = 0.0029940 k( 122) = ( 0.1981132 0.1143807 0.3235175), wk = 0.0029940 k( 123) = ( 0.1910377 0.1102957 0.3119633), wk = 0.0029940 k( 124) = ( 0.1839623 0.1062107 0.3004091), wk = 0.0029940 k( 125) = ( 0.1768868 0.1021256 0.2888549), wk = 0.0029940 k( 126) = ( 0.1698113 0.0980406 0.2773007), wk = 0.0029940 k( 127) = ( 0.1627358 0.0939556 0.2657465), wk = 0.0029940 k( 128) = ( 0.1556604 0.0898706 0.2541923), wk = 0.0029940 k( 129) = ( 0.1485849 0.0857855 0.2426381), wk = 0.0029940 k( 130) = ( 0.1415094 0.0817005 0.2310839), wk = 0.0029940 k( 131) = ( 0.1344340 0.0776155 0.2195297), wk = 0.0029940 k( 132) = ( 0.1273585 0.0735305 0.2079755), wk = 0.0029940 k( 133) = ( 0.1202830 0.0694454 0.1964213), wk = 0.0029940 k( 134) = ( 0.1132076 0.0653604 0.1848671), wk = 0.0029940 k( 135) = ( 0.1061321 0.0612754 0.1733129), wk = 0.0029940 k( 136) = ( 0.0990566 0.0571904 0.1617588), wk = 0.0029940 k( 137) = ( 0.0919811 0.0531053 0.1502046), wk = 0.0029940 k( 138) = ( 0.0849057 0.0490203 0.1386504), wk = 0.0029940 k( 139) = ( 0.0778302 0.0449353 0.1270962), wk = 0.0029940 k( 140) = ( 0.0707547 0.0408503 0.1155420), wk = 0.0029940 k( 141) = ( 0.0636793 0.0367652 0.1039878), wk = 0.0029940 k( 142) = ( 0.0566038 0.0326802 0.0924336), wk = 0.0029940 k( 143) = ( 0.0495283 0.0285952 0.0808794), wk = 0.0029940 k( 144) = ( 0.0424528 0.0245102 0.0693252), wk = 0.0029940 k( 145) = ( 0.0353774 0.0204251 0.0577710), wk = 0.0029940 k( 146) = ( 0.0283019 0.0163401 0.0462168), wk = 0.0029940 k( 147) = ( 0.0212264 0.0122551 0.0346626), wk = 0.0029940 k( 148) = ( 0.0141509 0.0081700 0.0231084), wk = 0.0029940 k( 149) = ( 0.0070755 0.0040850 0.0115542), wk = 0.0029940 k( 150) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029940 k( 151) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029940 k( 152) = ( 0.0113636 0.0065608 0.0046392), wk = 0.0029940 k( 153) = ( 0.0227273 0.0131216 0.0092784), wk = 0.0029940 k( 154) = ( 0.0340909 0.0196824 0.0139176), wk = 0.0029940 k( 155) = ( 0.0454546 0.0262432 0.0185567), wk = 0.0029940 k( 156) = ( 0.0568182 0.0328040 0.0231959), wk = 0.0029940 k( 157) = ( 0.0681818 0.0393648 0.0278351), wk = 0.0029940 k( 158) = ( 0.0795455 0.0459256 0.0324743), wk = 0.0029940 k( 159) = ( 0.0909091 0.0524864 0.0371135), wk = 0.0029940 k( 160) = ( 0.1022727 0.0590472 0.0417527), wk = 0.0029940 k( 161) = ( 0.1136364 0.0656080 0.0463918), wk = 0.0029940 k( 162) = ( 0.1250000 0.0721688 0.0510310), wk = 0.0029940 k( 163) = ( 0.1363636 0.0787296 0.0556702), wk = 0.0029940 k( 164) = ( 0.1477273 0.0852904 0.0603094), wk = 0.0029940 k( 165) = ( 0.1590909 0.0918512 0.0649486), wk = 0.0029940 k( 166) = ( 0.1704546 0.0984120 0.0695878), wk = 0.0029940 k( 167) = ( 0.1818182 0.1049728 0.0742270), wk = 0.0029940 k( 168) = ( 0.1931818 0.1115336 0.0788661), wk = 0.0029940 k( 169) = ( 0.2045454 0.1180944 0.0835053), wk = 0.0029940 k( 170) = ( 0.2159091 0.1246552 0.0881445), wk = 0.0029940 k( 171) = ( 0.2272727 0.1312160 0.0927837), wk = 0.0029940 k( 172) = ( 0.2386364 0.1377768 0.0974229), wk = 0.0029940 k( 173) = ( 0.2500000 0.1443376 0.1020621), wk = 0.0029940 k( 174) = ( 0.2613636 0.1508984 0.1067013), wk = 0.0029940 k( 175) = ( 0.2727273 0.1574592 0.1113404), wk = 0.0029940 k( 176) = ( 0.2840909 0.1640200 0.1159796), wk = 0.0029940 k( 177) = ( 0.2954545 0.1705808 0.1206188), wk = 0.0029940 k( 178) = ( 0.3068182 0.1771416 0.1252580), wk = 0.0029940 k( 179) = ( 0.3181818 0.1837024 0.1298972), wk = 0.0029940 k( 180) = ( 0.3295455 0.1902632 0.1345364), wk = 0.0029940 k( 181) = ( 0.3409091 0.1968240 0.1391756), wk = 0.0029940 k( 182) = ( 0.3522727 0.2033848 0.1438147), wk = 0.0029940 k( 183) = ( 0.3636364 0.2099456 0.1484539), wk = 0.0029940 k( 184) = ( 0.3750000 0.2165064 0.1530931), wk = 0.0029940 k( 185) = ( 0.3863636 0.2230672 0.1577323), wk = 0.0029940 k( 186) = ( 0.3977273 0.2296279 0.1623715), wk = 0.0029940 k( 187) = ( 0.4090909 0.2361887 0.1670107), wk = 0.0029940 k( 188) = ( 0.4204545 0.2427495 0.1716499), wk = 0.0029940 k( 189) = ( 0.4318182 0.2493103 0.1762890), wk = 0.0029940 k( 190) = ( 0.4431818 0.2558711 0.1809282), wk = 0.0029940 k( 191) = ( 0.4545455 0.2624319 0.1855674), wk = 0.0029940 k( 192) = ( 0.4659091 0.2689927 0.1902066), wk = 0.0029940 k( 193) = ( 0.4772727 0.2755535 0.1948458), wk = 0.0029940 k( 194) = ( 0.4886364 0.2821143 0.1994850), wk = 0.0029940 k( 195) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0029940 k( 196) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0029940 k( 197) = ( 0.5040323 0.2770350 0.2107088), wk = 0.0029940 k( 198) = ( 0.5080645 0.2653949 0.2172934), wk = 0.0029940 k( 199) = ( 0.5120968 0.2537548 0.2238781), wk = 0.0029940 k( 200) = ( 0.5161290 0.2421146 0.2304627), wk = 0.0029940 k( 201) = ( 0.5201613 0.2304745 0.2370474), wk = 0.0029940 k( 202) = ( 0.5241936 0.2188344 0.2436320), wk = 0.0029940 k( 203) = ( 0.5282258 0.2071943 0.2502167), wk = 0.0029940 k( 204) = ( 0.5322581 0.1955541 0.2568013), wk = 0.0029940 k( 205) = ( 0.5362903 0.1839140 0.2633860), wk = 0.0029940 k( 206) = ( 0.5403226 0.1722739 0.2699706), wk = 0.0029940 k( 207) = ( 0.5443548 0.1606337 0.2765553), wk = 0.0029940 k( 208) = ( 0.5483871 0.1489936 0.2831399), wk = 0.0029940 k( 209) = ( 0.5524193 0.1373535 0.2897246), wk = 0.0029940 k( 210) = ( 0.5564516 0.1257134 0.2963092), wk = 0.0029940 k( 211) = ( 0.5604839 0.1140732 0.3028939), wk = 0.0029940 k( 212) = ( 0.5645161 0.1024331 0.3094785), wk = 0.0029940 k( 213) = ( 0.5685484 0.0907930 0.3160632), wk = 0.0029940 k( 214) = ( 0.5725807 0.0791529 0.3226478), wk = 0.0029940 k( 215) = ( 0.5766129 0.0675127 0.3292325), wk = 0.0029940 k( 216) = ( 0.5806452 0.0558726 0.3358171), wk = 0.0029940 k( 217) = ( 0.5846774 0.0442325 0.3424018), wk = 0.0029940 k( 218) = ( 0.5887097 0.0325924 0.3489864), wk = 0.0029940 k( 219) = ( 0.5927419 0.0209522 0.3555711), wk = 0.0029940 k( 220) = ( 0.5967742 0.0093121 0.3621557), wk = 0.0029940 k( 221) = ( 0.6008064 -0.0023280 0.3687404), wk = 0.0029940 k( 222) = ( 0.6048387 -0.0139682 0.3753250), wk = 0.0029940 k( 223) = ( 0.6088710 -0.0256083 0.3819097), wk = 0.0029940 k( 224) = ( 0.6129032 -0.0372484 0.3884943), wk = 0.0029940 k( 225) = ( 0.6169355 -0.0488885 0.3950790), wk = 0.0029940 k( 226) = ( 0.6209677 -0.0605287 0.4016636), wk = 0.0029940 k( 227) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0029940 k( 228) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0029940 k( 229) = ( 0.6180556 -0.0681594 0.4195885), wk = 0.0029940 k( 230) = ( 0.6111111 -0.0641500 0.4309288), wk = 0.0029940 k( 231) = ( 0.6041667 -0.0601407 0.4422690), wk = 0.0029940 k( 232) = ( 0.5972222 -0.0561313 0.4536092), wk = 0.0029940 k( 233) = ( 0.5902778 -0.0521219 0.4649494), wk = 0.0029940 k( 234) = ( 0.5833333 -0.0481125 0.4762897), wk = 0.0029940 k( 235) = ( 0.5763889 -0.0441031 0.4876299), wk = 0.0029940 k( 236) = ( 0.5694444 -0.0400938 0.4989701), wk = 0.0029940 k( 237) = ( 0.5625000 -0.0360844 0.5103104), wk = 0.0029940 k( 238) = ( 0.5555556 -0.0320750 0.5216506), wk = 0.0029940 k( 239) = ( 0.5486111 -0.0280656 0.5329908), wk = 0.0029940 k( 240) = ( 0.5416667 -0.0240563 0.5443310), wk = 0.0029940 k( 241) = ( 0.5347222 -0.0200469 0.5556713), wk = 0.0029940 k( 242) = ( 0.5277778 -0.0160375 0.5670115), wk = 0.0029940 k( 243) = ( 0.5208333 -0.0120281 0.5783518), wk = 0.0029940 k( 244) = ( 0.5138889 -0.0080188 0.5896920), wk = 0.0029940 k( 245) = ( 0.5069444 -0.0040094 0.6010322), wk = 0.0029940 k( 246) = ( 0.5000000 0.0000000 0.6123724), wk = 0.0029940 k( 247) = ( 0.5000000 0.0000000 0.6123724), wk = 0.0029940 k( 248) = ( 0.5000000 0.0080187 0.6010322), wk = 0.0029940 k( 249) = ( 0.5000000 0.0160375 0.5896920), wk = 0.0029940 k( 250) = ( 0.5000000 0.0240563 0.5783518), wk = 0.0029940 k( 251) = ( 0.5000000 0.0320750 0.5670115), wk = 0.0029940 k( 252) = ( 0.5000000 0.0400938 0.5556713), wk = 0.0029940 k( 253) = ( 0.5000000 0.0481125 0.5443310), wk = 0.0029940 k( 254) = ( 0.5000000 0.0561313 0.5329908), wk = 0.0029940 k( 255) = ( 0.5000000 0.0641500 0.5216506), wk = 0.0029940 k( 256) = ( 0.5000000 0.0721688 0.5103104), wk = 0.0029940 k( 257) = ( 0.5000000 0.0801875 0.4989701), wk = 0.0029940 k( 258) = ( 0.5000000 0.0882063 0.4876299), wk = 0.0029940 k( 259) = ( 0.5000000 0.0962250 0.4762897), wk = 0.0029940 k( 260) = ( 0.5000000 0.1042438 0.4649494), wk = 0.0029940 k( 261) = ( 0.5000000 0.1122625 0.4536092), wk = 0.0029940 k( 262) = ( 0.5000000 0.1202813 0.4422690), wk = 0.0029940 k( 263) = ( 0.5000000 0.1283001 0.4309288), wk = 0.0029940 k( 264) = ( 0.5000000 0.1363188 0.4195885), wk = 0.0029940 k( 265) = ( 0.5000000 0.1443376 0.4082483), wk = 0.0029940 k( 266) = ( 0.5000000 0.1523563 0.3969081), wk = 0.0029940 k( 267) = ( 0.5000000 0.1603751 0.3855678), wk = 0.0029940 k( 268) = ( 0.5000000 0.1683938 0.3742276), wk = 0.0029940 k( 269) = ( 0.5000000 0.1764126 0.3628874), wk = 0.0029940 k( 270) = ( 0.5000000 0.1844313 0.3515471), wk = 0.0029940 k( 271) = ( 0.5000000 0.1924501 0.3402069), wk = 0.0029940 k( 272) = ( 0.5000000 0.2004688 0.3288667), wk = 0.0029940 k( 273) = ( 0.5000000 0.2084876 0.3175264), wk = 0.0029940 k( 274) = ( 0.5000000 0.2165064 0.3061862), wk = 0.0029940 k( 275) = ( 0.5000000 0.2245251 0.2948460), wk = 0.0029940 k( 276) = ( 0.5000000 0.2325439 0.2835058), wk = 0.0029940 k( 277) = ( 0.5000000 0.2405626 0.2721655), wk = 0.0029940 k( 278) = ( 0.5000000 0.2485814 0.2608253), wk = 0.0029940 k( 279) = ( 0.5000000 0.2566001 0.2494851), wk = 0.0029940 k( 280) = ( 0.5000000 0.2646189 0.2381448), wk = 0.0029940 k( 281) = ( 0.5000000 0.2726376 0.2268046), wk = 0.0029940 k( 282) = ( 0.5000000 0.2806564 0.2154644), wk = 0.0029940 k( 283) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0029940 k( 284) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0029940 k( 285) = ( 0.4959677 0.2863471 0.2172935), wk = 0.0029940 k( 286) = ( 0.4919355 0.2840191 0.2304627), wk = 0.0029940 k( 287) = ( 0.4879032 0.2816911 0.2436320), wk = 0.0029940 k( 288) = ( 0.4838710 0.2793630 0.2568013), wk = 0.0029940 k( 289) = ( 0.4798387 0.2770350 0.2699706), wk = 0.0029940 k( 290) = ( 0.4758064 0.2747070 0.2831399), wk = 0.0029940 k( 291) = ( 0.4717742 0.2723790 0.2963092), wk = 0.0029940 k( 292) = ( 0.4677419 0.2700509 0.3094785), wk = 0.0029940 k( 293) = ( 0.4637097 0.2677229 0.3226478), wk = 0.0029940 k( 294) = ( 0.4596774 0.2653949 0.3358171), wk = 0.0029940 k( 295) = ( 0.4556452 0.2630669 0.3489864), wk = 0.0029940 k( 296) = ( 0.4516129 0.2607388 0.3621557), wk = 0.0029940 k( 297) = ( 0.4475807 0.2584108 0.3753250), wk = 0.0029940 k( 298) = ( 0.4435484 0.2560828 0.3884943), wk = 0.0029940 k( 299) = ( 0.4395161 0.2537548 0.4016636), wk = 0.0029940 k( 300) = ( 0.4354839 0.2514267 0.4148329), wk = 0.0029940 k( 301) = ( 0.4314516 0.2490987 0.4280022), wk = 0.0029940 k( 302) = ( 0.4274193 0.2467707 0.4411715), wk = 0.0029940 k( 303) = ( 0.4233871 0.2444427 0.4543408), wk = 0.0029940 k( 304) = ( 0.4193548 0.2421146 0.4675101), wk = 0.0029940 k( 305) = ( 0.4153226 0.2397866 0.4806794), wk = 0.0029940 k( 306) = ( 0.4112903 0.2374586 0.4938487), wk = 0.0029940 k( 307) = ( 0.4072581 0.2351306 0.5070180), wk = 0.0029940 k( 308) = ( 0.4032258 0.2328025 0.5201873), wk = 0.0029940 k( 309) = ( 0.3991936 0.2304745 0.5333566), wk = 0.0029940 k( 310) = ( 0.3951613 0.2281465 0.5465259), wk = 0.0029940 k( 311) = ( 0.3911290 0.2258185 0.5596952), wk = 0.0029940 k( 312) = ( 0.3870968 0.2234904 0.5728645), wk = 0.0029940 k( 313) = ( 0.3830645 0.2211624 0.5860338), wk = 0.0029940 k( 314) = ( 0.3790323 0.2188344 0.5992031), wk = 0.0029940 k( 315) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0029940 k( 316) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0029940 k( 317) = ( 0.6180556 -0.0841969 0.4082483), wk = 0.0029940 k( 318) = ( 0.6111111 -0.0962250 0.4082483), wk = 0.0029940 k( 319) = ( 0.6041667 -0.1082532 0.4082483), wk = 0.0029940 k( 320) = ( 0.5972222 -0.1202813 0.4082483), wk = 0.0029940 k( 321) = ( 0.5902778 -0.1323094 0.4082483), wk = 0.0029940 k( 322) = ( 0.5833333 -0.1443376 0.4082483), wk = 0.0029940 k( 323) = ( 0.5763889 -0.1563657 0.4082483), wk = 0.0029940 k( 324) = ( 0.5694444 -0.1683938 0.4082483), wk = 0.0029940 k( 325) = ( 0.5625000 -0.1804220 0.4082483), wk = 0.0029940 k( 326) = ( 0.5555556 -0.1924501 0.4082483), wk = 0.0029940 k( 327) = ( 0.5486111 -0.2044782 0.4082483), wk = 0.0029940 k( 328) = ( 0.5416667 -0.2165064 0.4082483), wk = 0.0029940 k( 329) = ( 0.5347222 -0.2285345 0.4082483), wk = 0.0029940 k( 330) = ( 0.5277778 -0.2405626 0.4082483), wk = 0.0029940 k( 331) = ( 0.5208333 -0.2525907 0.4082483), wk = 0.0029940 k( 332) = ( 0.5138889 -0.2646189 0.4082483), wk = 0.0029940 k( 333) = ( 0.5069444 -0.2766470 0.4082483), wk = 0.0029940 k( 334) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0029940 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029940 k( 2) = ( 0.0100000 -0.0000000 0.0100000), wk = 0.0029940 k( 3) = ( 0.0200000 -0.0000000 0.0200000), wk = 0.0029940 k( 4) = ( 0.0300000 -0.0000000 0.0300000), wk = 0.0029940 k( 5) = ( 0.0400000 -0.0000000 0.0400000), wk = 0.0029940 k( 6) = ( 0.0500000 -0.0000000 0.0500000), wk = 0.0029940 k( 7) = ( 0.0600000 -0.0000000 0.0600000), wk = 0.0029940 k( 8) = ( 0.0700000 -0.0000000 0.0700000), wk = 0.0029940 k( 9) = ( 0.0800000 -0.0000000 0.0800000), wk = 0.0029940 k( 10) = ( 0.0900000 -0.0000000 0.0900000), wk = 0.0029940 k( 11) = ( 0.1000000 -0.0000000 0.1000000), wk = 0.0029940 k( 12) = ( 0.1100000 0.0000000 0.1100000), wk = 0.0029940 k( 13) = ( 0.1200000 -0.0000000 0.1200000), wk = 0.0029940 k( 14) = ( 0.1300000 -0.0000000 0.1300000), wk = 0.0029940 k( 15) = ( 0.1400000 -0.0000000 0.1400000), wk = 0.0029940 k( 16) = ( 0.1500000 -0.0000000 0.1500000), wk = 0.0029940 k( 17) = ( 0.1600000 -0.0000000 0.1600000), wk = 0.0029940 k( 18) = ( 0.1700000 -0.0000000 0.1700000), wk = 0.0029940 k( 19) = ( 0.1800000 -0.0000000 0.1800000), wk = 0.0029940 k( 20) = ( 0.1900000 -0.0000000 0.1900000), wk = 0.0029940 k( 21) = ( 0.2000000 -0.0000000 0.2000000), wk = 0.0029940 k( 22) = ( 0.2100000 0.0000000 0.2100000), wk = 0.0029940 k( 23) = ( 0.2200000 0.0000000 0.2200000), wk = 0.0029940 k( 24) = ( 0.2300000 -0.0000000 0.2300000), wk = 0.0029940 k( 25) = ( 0.2400000 -0.0000000 0.2400000), wk = 0.0029940 k( 26) = ( 0.2500000 0.0000000 0.2500000), wk = 0.0029940 k( 27) = ( 0.2600000 -0.0000000 0.2600000), wk = 0.0029940 k( 28) = ( 0.2700000 -0.0000000 0.2700000), wk = 0.0029940 k( 29) = ( 0.2800000 -0.0000000 0.2800000), wk = 0.0029940 k( 30) = ( 0.2900000 -0.0000000 0.2900000), wk = 0.0029940 k( 31) = ( 0.3000000 -0.0000000 0.3000000), wk = 0.0029940 k( 32) = ( 0.3100000 -0.0000000 0.3100000), wk = 0.0029940 k( 33) = ( 0.3200000 -0.0000000 0.3200000), wk = 0.0029940 k( 34) = ( 0.3300000 -0.0000000 0.3300000), wk = 0.0029940 k( 35) = ( 0.3400000 -0.0000000 0.3400000), wk = 0.0029940 k( 36) = ( 0.3500000 -0.0000000 0.3500000), wk = 0.0029940 k( 37) = ( 0.3600000 -0.0000000 0.3600000), wk = 0.0029940 k( 38) = ( 0.3700000 -0.0000000 0.3700000), wk = 0.0029940 k( 39) = ( 0.3800000 -0.0000000 0.3800000), wk = 0.0029940 k( 40) = ( 0.3900000 -0.0000000 0.3900000), wk = 0.0029940 k( 41) = ( 0.4000000 -0.0000000 0.4000000), wk = 0.0029940 k( 42) = ( 0.4100000 -0.0000000 0.4100000), wk = 0.0029940 k( 43) = ( 0.4200000 0.0000000 0.4200000), wk = 0.0029940 k( 44) = ( 0.4300000 -0.0000000 0.4300000), wk = 0.0029940 k( 45) = ( 0.4400000 0.0000000 0.4400000), wk = 0.0029940 k( 46) = ( 0.4500000 0.0000000 0.4500000), wk = 0.0029940 k( 47) = ( 0.4600000 -0.0000000 0.4600000), wk = 0.0029940 k( 48) = ( 0.4700000 0.0000000 0.4700000), wk = 0.0029940 k( 49) = ( 0.4800000 -0.0000000 0.4800000), wk = 0.0029940 k( 50) = ( 0.4900000 -0.0000000 0.4900000), wk = 0.0029940 k( 51) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0029940 k( 52) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0029940 k( 53) = ( 0.5000000 0.0100000 0.5100000), wk = 0.0029940 k( 54) = ( 0.5000000 0.0200000 0.5200000), wk = 0.0029940 k( 55) = ( 0.5000000 0.0300000 0.5300000), wk = 0.0029940 k( 56) = ( 0.5000000 0.0400000 0.5400000), wk = 0.0029940 k( 57) = ( 0.5000000 0.0500000 0.5500000), wk = 0.0029940 k( 58) = ( 0.5000000 0.0600000 0.5600000), wk = 0.0029940 k( 59) = ( 0.5000000 0.0700000 0.5700000), wk = 0.0029940 k( 60) = ( 0.5000000 0.0800000 0.5800000), wk = 0.0029940 k( 61) = ( 0.5000000 0.0900000 0.5900000), wk = 0.0029940 k( 62) = ( 0.5000000 0.1000000 0.6000000), wk = 0.0029940 k( 63) = ( 0.5000000 0.1100000 0.6100000), wk = 0.0029940 k( 64) = ( 0.5000000 0.1200000 0.6200000), wk = 0.0029940 k( 65) = ( 0.5000000 0.1300000 0.6300000), wk = 0.0029940 k( 66) = ( 0.5000000 0.1400000 0.6400000), wk = 0.0029940 k( 67) = ( 0.5000000 0.1500000 0.6500000), wk = 0.0029940 k( 68) = ( 0.5000000 0.1600000 0.6600000), wk = 0.0029940 k( 69) = ( 0.5000000 0.1700000 0.6700000), wk = 0.0029940 k( 70) = ( 0.5000000 0.1800000 0.6800000), wk = 0.0029940 k( 71) = ( 0.5000000 0.1900000 0.6900000), wk = 0.0029940 k( 72) = ( 0.5000000 0.2000000 0.7000000), wk = 0.0029940 k( 73) = ( 0.5000000 0.2100000 0.7100000), wk = 0.0029940 k( 74) = ( 0.5000000 0.2200000 0.7200000), wk = 0.0029940 k( 75) = ( 0.5000000 0.2300000 0.7300000), wk = 0.0029940 k( 76) = ( 0.5000000 0.2400000 0.7400000), wk = 0.0029940 k( 77) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0029940 k( 78) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0029940 k( 79) = ( 0.4930556 0.2569444 0.7500000), wk = 0.0029940 k( 80) = ( 0.4861111 0.2638889 0.7500000), wk = 0.0029940 k( 81) = ( 0.4791667 0.2708333 0.7500000), wk = 0.0029940 k( 82) = ( 0.4722222 0.2777778 0.7500000), wk = 0.0029940 k( 83) = ( 0.4652778 0.2847222 0.7500000), wk = 0.0029940 k( 84) = ( 0.4583333 0.2916667 0.7500000), wk = 0.0029940 k( 85) = ( 0.4513889 0.2986111 0.7500000), wk = 0.0029940 k( 86) = ( 0.4444444 0.3055556 0.7500000), wk = 0.0029940 k( 87) = ( 0.4375000 0.3125000 0.7500000), wk = 0.0029940 k( 88) = ( 0.4305556 0.3194444 0.7500000), wk = 0.0029940 k( 89) = ( 0.4236111 0.3263889 0.7500000), wk = 0.0029940 k( 90) = ( 0.4166667 0.3333333 0.7500000), wk = 0.0029940 k( 91) = ( 0.4097222 0.3402778 0.7500000), wk = 0.0029940 k( 92) = ( 0.4027778 0.3472222 0.7500000), wk = 0.0029940 k( 93) = ( 0.3958333 0.3541667 0.7500000), wk = 0.0029940 k( 94) = ( 0.3888889 0.3611111 0.7500000), wk = 0.0029940 k( 95) = ( 0.3819444 0.3680556 0.7500000), wk = 0.0029940 k( 96) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0029940 k( 97) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0029940 k( 98) = ( 0.3679245 0.3679245 0.7358491), wk = 0.0029940 k( 99) = ( 0.3608491 0.3608491 0.7216981), wk = 0.0029940 k( 100) = ( 0.3537736 0.3537736 0.7075472), wk = 0.0029940 k( 101) = ( 0.3466981 0.3466981 0.6933962), wk = 0.0029940 k( 102) = ( 0.3396226 0.3396226 0.6792453), wk = 0.0029940 k( 103) = ( 0.3325472 0.3325472 0.6650943), wk = 0.0029940 k( 104) = ( 0.3254717 0.3254717 0.6509434), wk = 0.0029940 k( 105) = ( 0.3183962 0.3183962 0.6367924), wk = 0.0029940 k( 106) = ( 0.3113207 0.3113207 0.6226415), wk = 0.0029940 k( 107) = ( 0.3042453 0.3042453 0.6084906), wk = 0.0029940 k( 108) = ( 0.2971698 0.2971698 0.5943396), wk = 0.0029940 k( 109) = ( 0.2900943 0.2900943 0.5801887), wk = 0.0029940 k( 110) = ( 0.2830189 0.2830189 0.5660377), wk = 0.0029940 k( 111) = ( 0.2759434 0.2759434 0.5518868), wk = 0.0029940 k( 112) = ( 0.2688679 0.2688679 0.5377359), wk = 0.0029940 k( 113) = ( 0.2617925 0.2617925 0.5235849), wk = 0.0029940 k( 114) = ( 0.2547170 0.2547170 0.5094340), wk = 0.0029940 k( 115) = ( 0.2476415 0.2476415 0.4952830), wk = 0.0029940 k( 116) = ( 0.2405660 0.2405660 0.4811321), wk = 0.0029940 k( 117) = ( 0.2334906 0.2334906 0.4669811), wk = 0.0029940 k( 118) = ( 0.2264151 0.2264151 0.4528302), wk = 0.0029940 k( 119) = ( 0.2193396 0.2193396 0.4386792), wk = 0.0029940 k( 120) = ( 0.2122642 0.2122642 0.4245283), wk = 0.0029940 k( 121) = ( 0.2051887 0.2051887 0.4103774), wk = 0.0029940 k( 122) = ( 0.1981132 0.1981132 0.3962264), wk = 0.0029940 k( 123) = ( 0.1910377 0.1910377 0.3820755), wk = 0.0029940 k( 124) = ( 0.1839623 0.1839623 0.3679245), wk = 0.0029940 k( 125) = ( 0.1768868 0.1768868 0.3537736), wk = 0.0029940 k( 126) = ( 0.1698113 0.1698113 0.3396226), wk = 0.0029940 k( 127) = ( 0.1627358 0.1627358 0.3254717), wk = 0.0029940 k( 128) = ( 0.1556604 0.1556604 0.3113207), wk = 0.0029940 k( 129) = ( 0.1485849 0.1485849 0.2971698), wk = 0.0029940 k( 130) = ( 0.1415094 0.1415094 0.2830189), wk = 0.0029940 k( 131) = ( 0.1344340 0.1344340 0.2688679), wk = 0.0029940 k( 132) = ( 0.1273585 0.1273585 0.2547170), wk = 0.0029940 k( 133) = ( 0.1202830 0.1202830 0.2405660), wk = 0.0029940 k( 134) = ( 0.1132076 0.1132076 0.2264151), wk = 0.0029940 k( 135) = ( 0.1061321 0.1061321 0.2122642), wk = 0.0029940 k( 136) = ( 0.0990566 0.0990566 0.1981132), wk = 0.0029940 k( 137) = ( 0.0919811 0.0919811 0.1839623), wk = 0.0029940 k( 138) = ( 0.0849057 0.0849057 0.1698113), wk = 0.0029940 k( 139) = ( 0.0778302 0.0778302 0.1556604), wk = 0.0029940 k( 140) = ( 0.0707547 0.0707547 0.1415094), wk = 0.0029940 k( 141) = ( 0.0636793 0.0636793 0.1273585), wk = 0.0029940 k( 142) = ( 0.0566038 0.0566038 0.1132076), wk = 0.0029940 k( 143) = ( 0.0495283 0.0495283 0.0990566), wk = 0.0029940 k( 144) = ( 0.0424528 0.0424528 0.0849057), wk = 0.0029940 k( 145) = ( 0.0353774 0.0353774 0.0707547), wk = 0.0029940 k( 146) = ( 0.0283019 0.0283019 0.0566038), wk = 0.0029940 k( 147) = ( 0.0212264 0.0212264 0.0424528), wk = 0.0029940 k( 148) = ( 0.0141509 0.0141509 0.0283019), wk = 0.0029940 k( 149) = ( 0.0070755 0.0070755 0.0141509), wk = 0.0029940 k( 150) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029940 k( 151) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029940 k( 152) = ( 0.0113636 0.0113636 0.0113636), wk = 0.0029940 k( 153) = ( 0.0227273 0.0227273 0.0227273), wk = 0.0029940 k( 154) = ( 0.0340909 0.0340909 0.0340909), wk = 0.0029940 k( 155) = ( 0.0454546 0.0454546 0.0454546), wk = 0.0029940 k( 156) = ( 0.0568182 0.0568182 0.0568182), wk = 0.0029940 k( 157) = ( 0.0681818 0.0681818 0.0681818), wk = 0.0029940 k( 158) = ( 0.0795455 0.0795455 0.0795454), wk = 0.0029940 k( 159) = ( 0.0909091 0.0909091 0.0909091), wk = 0.0029940 k( 160) = ( 0.1022727 0.1022727 0.1022727), wk = 0.0029940 k( 161) = ( 0.1136364 0.1136364 0.1136364), wk = 0.0029940 k( 162) = ( 0.1250000 0.1250000 0.1250000), wk = 0.0029940 k( 163) = ( 0.1363636 0.1363636 0.1363636), wk = 0.0029940 k( 164) = ( 0.1477273 0.1477273 0.1477273), wk = 0.0029940 k( 165) = ( 0.1590909 0.1590909 0.1590909), wk = 0.0029940 k( 166) = ( 0.1704546 0.1704546 0.1704546), wk = 0.0029940 k( 167) = ( 0.1818182 0.1818182 0.1818182), wk = 0.0029940 k( 168) = ( 0.1931818 0.1931818 0.1931818), wk = 0.0029940 k( 169) = ( 0.2045454 0.2045454 0.2045454), wk = 0.0029940 k( 170) = ( 0.2159091 0.2159091 0.2159091), wk = 0.0029940 k( 171) = ( 0.2272727 0.2272727 0.2272727), wk = 0.0029940 k( 172) = ( 0.2386364 0.2386364 0.2386364), wk = 0.0029940 k( 173) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0029940 k( 174) = ( 0.2613636 0.2613636 0.2613636), wk = 0.0029940 k( 175) = ( 0.2727273 0.2727273 0.2727273), wk = 0.0029940 k( 176) = ( 0.2840909 0.2840909 0.2840909), wk = 0.0029940 k( 177) = ( 0.2954545 0.2954545 0.2954545), wk = 0.0029940 k( 178) = ( 0.3068182 0.3068182 0.3068182), wk = 0.0029940 k( 179) = ( 0.3181818 0.3181818 0.3181818), wk = 0.0029940 k( 180) = ( 0.3295455 0.3295455 0.3295455), wk = 0.0029940 k( 181) = ( 0.3409091 0.3409091 0.3409091), wk = 0.0029940 k( 182) = ( 0.3522727 0.3522727 0.3522727), wk = 0.0029940 k( 183) = ( 0.3636364 0.3636364 0.3636364), wk = 0.0029940 k( 184) = ( 0.3750000 0.3750000 0.3750000), wk = 0.0029940 k( 185) = ( 0.3863636 0.3863636 0.3863636), wk = 0.0029940 k( 186) = ( 0.3977273 0.3977273 0.3977273), wk = 0.0029940 k( 187) = ( 0.4090909 0.4090909 0.4090909), wk = 0.0029940 k( 188) = ( 0.4204545 0.4204545 0.4204545), wk = 0.0029940 k( 189) = ( 0.4318182 0.4318182 0.4318182), wk = 0.0029940 k( 190) = ( 0.4431818 0.4431818 0.4431818), wk = 0.0029940 k( 191) = ( 0.4545455 0.4545455 0.4545454), wk = 0.0029940 k( 192) = ( 0.4659091 0.4659091 0.4659091), wk = 0.0029940 k( 193) = ( 0.4772727 0.4772727 0.4772727), wk = 0.0029940 k( 194) = ( 0.4886364 0.4886364 0.4886364), wk = 0.0029940 k( 195) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0029940 k( 196) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0029940 k( 197) = ( 0.5040323 0.4919355 0.5040323), wk = 0.0029940 k( 198) = ( 0.5080645 0.4838710 0.5080645), wk = 0.0029940 k( 199) = ( 0.5120968 0.4758064 0.5120968), wk = 0.0029940 k( 200) = ( 0.5161290 0.4677419 0.5161290), wk = 0.0029940 k( 201) = ( 0.5201613 0.4596774 0.5201613), wk = 0.0029940 k( 202) = ( 0.5241936 0.4516129 0.5241936), wk = 0.0029940 k( 203) = ( 0.5282258 0.4435484 0.5282258), wk = 0.0029940 k( 204) = ( 0.5322581 0.4354839 0.5322581), wk = 0.0029940 k( 205) = ( 0.5362903 0.4274193 0.5362903), wk = 0.0029940 k( 206) = ( 0.5403226 0.4193548 0.5403226), wk = 0.0029940 k( 207) = ( 0.5443548 0.4112903 0.5443548), wk = 0.0029940 k( 208) = ( 0.5483871 0.4032258 0.5483871), wk = 0.0029940 k( 209) = ( 0.5524193 0.3951613 0.5524193), wk = 0.0029940 k( 210) = ( 0.5564516 0.3870968 0.5564516), wk = 0.0029940 k( 211) = ( 0.5604839 0.3790323 0.5604839), wk = 0.0029940 k( 212) = ( 0.5645161 0.3709677 0.5645161), wk = 0.0029940 k( 213) = ( 0.5685484 0.3629032 0.5685484), wk = 0.0029940 k( 214) = ( 0.5725807 0.3548387 0.5725806), wk = 0.0029940 k( 215) = ( 0.5766129 0.3467742 0.5766129), wk = 0.0029940 k( 216) = ( 0.5806452 0.3387097 0.5806452), wk = 0.0029940 k( 217) = ( 0.5846774 0.3306452 0.5846774), wk = 0.0029940 k( 218) = ( 0.5887097 0.3225807 0.5887097), wk = 0.0029940 k( 219) = ( 0.5927419 0.3145161 0.5927419), wk = 0.0029940 k( 220) = ( 0.5967742 0.3064516 0.5967742), wk = 0.0029940 k( 221) = ( 0.6008064 0.2983871 0.6008064), wk = 0.0029940 k( 222) = ( 0.6048387 0.2903226 0.6048387), wk = 0.0029940 k( 223) = ( 0.6088710 0.2822581 0.6088710), wk = 0.0029940 k( 224) = ( 0.6129032 0.2741935 0.6129032), wk = 0.0029940 k( 225) = ( 0.6169355 0.2661290 0.6169355), wk = 0.0029940 k( 226) = ( 0.6209677 0.2580645 0.6209677), wk = 0.0029940 k( 227) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0029940 k( 228) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0029940 k( 229) = ( 0.6180556 0.2500000 0.6319444), wk = 0.0029940 k( 230) = ( 0.6111111 0.2500000 0.6388889), wk = 0.0029940 k( 231) = ( 0.6041667 0.2500000 0.6458333), wk = 0.0029940 k( 232) = ( 0.5972222 0.2500000 0.6527778), wk = 0.0029940 k( 233) = ( 0.5902778 0.2500000 0.6597222), wk = 0.0029940 k( 234) = ( 0.5833333 0.2500000 0.6666667), wk = 0.0029940 k( 235) = ( 0.5763889 0.2500000 0.6736111), wk = 0.0029940 k( 236) = ( 0.5694444 0.2500000 0.6805556), wk = 0.0029940 k( 237) = ( 0.5625000 0.2500000 0.6875000), wk = 0.0029940 k( 238) = ( 0.5555556 0.2500000 0.6944444), wk = 0.0029940 k( 239) = ( 0.5486111 0.2500000 0.7013889), wk = 0.0029940 k( 240) = ( 0.5416667 0.2500000 0.7083333), wk = 0.0029940 k( 241) = ( 0.5347222 0.2500000 0.7152778), wk = 0.0029940 k( 242) = ( 0.5277778 0.2500000 0.7222222), wk = 0.0029940 k( 243) = ( 0.5208333 0.2500000 0.7291667), wk = 0.0029940 k( 244) = ( 0.5138889 0.2500000 0.7361111), wk = 0.0029940 k( 245) = ( 0.5069444 0.2500000 0.7430556), wk = 0.0029940 k( 246) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0029940 k( 247) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0029940 k( 248) = ( 0.5000000 0.2569444 0.7430556), wk = 0.0029940 k( 249) = ( 0.5000000 0.2638889 0.7361111), wk = 0.0029940 k( 250) = ( 0.5000000 0.2708333 0.7291667), wk = 0.0029940 k( 251) = ( 0.5000000 0.2777778 0.7222222), wk = 0.0029940 k( 252) = ( 0.5000000 0.2847222 0.7152778), wk = 0.0029940 k( 253) = ( 0.5000000 0.2916667 0.7083333), wk = 0.0029940 k( 254) = ( 0.5000000 0.2986111 0.7013889), wk = 0.0029940 k( 255) = ( 0.5000000 0.3055556 0.6944444), wk = 0.0029940 k( 256) = ( 0.5000000 0.3125000 0.6875000), wk = 0.0029940 k( 257) = ( 0.5000000 0.3194444 0.6805556), wk = 0.0029940 k( 258) = ( 0.5000000 0.3263889 0.6736111), wk = 0.0029940 k( 259) = ( 0.5000000 0.3333333 0.6666667), wk = 0.0029940 k( 260) = ( 0.5000000 0.3402778 0.6597222), wk = 0.0029940 k( 261) = ( 0.5000000 0.3472222 0.6527778), wk = 0.0029940 k( 262) = ( 0.5000000 0.3541667 0.6458333), wk = 0.0029940 k( 263) = ( 0.5000000 0.3611111 0.6388889), wk = 0.0029940 k( 264) = ( 0.5000000 0.3680556 0.6319444), wk = 0.0029940 k( 265) = ( 0.5000000 0.3750000 0.6250000), wk = 0.0029940 k( 266) = ( 0.5000000 0.3819444 0.6180556), wk = 0.0029940 k( 267) = ( 0.5000000 0.3888889 0.6111111), wk = 0.0029940 k( 268) = ( 0.5000000 0.3958333 0.6041667), wk = 0.0029940 k( 269) = ( 0.5000000 0.4027778 0.5972222), wk = 0.0029940 k( 270) = ( 0.5000000 0.4097222 0.5902778), wk = 0.0029940 k( 271) = ( 0.5000000 0.4166667 0.5833333), wk = 0.0029940 k( 272) = ( 0.5000000 0.4236111 0.5763889), wk = 0.0029940 k( 273) = ( 0.5000000 0.4305556 0.5694444), wk = 0.0029940 k( 274) = ( 0.5000000 0.4375000 0.5625000), wk = 0.0029940 k( 275) = ( 0.5000000 0.4444444 0.5555556), wk = 0.0029940 k( 276) = ( 0.5000000 0.4513889 0.5486111), wk = 0.0029940 k( 277) = ( 0.5000000 0.4583333 0.5416667), wk = 0.0029940 k( 278) = ( 0.5000000 0.4652778 0.5347222), wk = 0.0029940 k( 279) = ( 0.5000000 0.4722222 0.5277778), wk = 0.0029940 k( 280) = ( 0.5000000 0.4791667 0.5208333), wk = 0.0029940 k( 281) = ( 0.5000000 0.4861111 0.5138889), wk = 0.0029940 k( 282) = ( 0.5000000 0.4930556 0.5069444), wk = 0.0029940 k( 283) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0029940 k( 284) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0029940 k( 285) = ( 0.4959677 0.4959677 0.5080645), wk = 0.0029940 k( 286) = ( 0.4919355 0.4919355 0.5161290), wk = 0.0029940 k( 287) = ( 0.4879032 0.4879032 0.5241936), wk = 0.0029940 k( 288) = ( 0.4838710 0.4838710 0.5322581), wk = 0.0029940 k( 289) = ( 0.4798387 0.4798387 0.5403226), wk = 0.0029940 k( 290) = ( 0.4758064 0.4758064 0.5483871), wk = 0.0029940 k( 291) = ( 0.4717742 0.4717742 0.5564516), wk = 0.0029940 k( 292) = ( 0.4677419 0.4677419 0.5645161), wk = 0.0029940 k( 293) = ( 0.4637097 0.4637097 0.5725807), wk = 0.0029940 k( 294) = ( 0.4596774 0.4596774 0.5806452), wk = 0.0029940 k( 295) = ( 0.4556452 0.4556452 0.5887097), wk = 0.0029940 k( 296) = ( 0.4516129 0.4516129 0.5967742), wk = 0.0029940 k( 297) = ( 0.4475807 0.4475807 0.6048387), wk = 0.0029940 k( 298) = ( 0.4435484 0.4435484 0.6129032), wk = 0.0029940 k( 299) = ( 0.4395161 0.4395161 0.6209677), wk = 0.0029940 k( 300) = ( 0.4354839 0.4354839 0.6290323), wk = 0.0029940 k( 301) = ( 0.4314516 0.4314516 0.6370968), wk = 0.0029940 k( 302) = ( 0.4274193 0.4274193 0.6451613), wk = 0.0029940 k( 303) = ( 0.4233871 0.4233871 0.6532258), wk = 0.0029940 k( 304) = ( 0.4193548 0.4193548 0.6612903), wk = 0.0029940 k( 305) = ( 0.4153226 0.4153226 0.6693548), wk = 0.0029940 k( 306) = ( 0.4112903 0.4112903 0.6774193), wk = 0.0029940 k( 307) = ( 0.4072581 0.4072581 0.6854839), wk = 0.0029940 k( 308) = ( 0.4032258 0.4032258 0.6935484), wk = 0.0029940 k( 309) = ( 0.3991936 0.3991936 0.7016129), wk = 0.0029940 k( 310) = ( 0.3951613 0.3951613 0.7096774), wk = 0.0029940 k( 311) = ( 0.3911290 0.3911290 0.7177419), wk = 0.0029940 k( 312) = ( 0.3870968 0.3870968 0.7258064), wk = 0.0029940 k( 313) = ( 0.3830645 0.3830645 0.7338710), wk = 0.0029940 k( 314) = ( 0.3790323 0.3790323 0.7419355), wk = 0.0029940 k( 315) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0029940 k( 316) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0029940 k( 317) = ( 0.6180556 0.2361111 0.6180556), wk = 0.0029940 k( 318) = ( 0.6111111 0.2222222 0.6111111), wk = 0.0029940 k( 319) = ( 0.6041667 0.2083333 0.6041667), wk = 0.0029940 k( 320) = ( 0.5972222 0.1944444 0.5972222), wk = 0.0029940 k( 321) = ( 0.5902778 0.1805556 0.5902778), wk = 0.0029940 k( 322) = ( 0.5833333 0.1666667 0.5833333), wk = 0.0029940 k( 323) = ( 0.5763889 0.1527778 0.5763889), wk = 0.0029940 k( 324) = ( 0.5694444 0.1388889 0.5694444), wk = 0.0029940 k( 325) = ( 0.5625000 0.1250000 0.5625000), wk = 0.0029940 k( 326) = ( 0.5555556 0.1111111 0.5555556), wk = 0.0029940 k( 327) = ( 0.5486111 0.0972222 0.5486111), wk = 0.0029940 k( 328) = ( 0.5416667 0.0833333 0.5416667), wk = 0.0029940 k( 329) = ( 0.5347222 0.0694444 0.5347222), wk = 0.0029940 k( 330) = ( 0.5277778 0.0555556 0.5277778), wk = 0.0029940 k( 331) = ( 0.5208333 0.0416667 0.5208333), wk = 0.0029940 k( 332) = ( 0.5138889 0.0277778 0.5138889), wk = 0.0029940 k( 333) = ( 0.5069444 0.0138889 0.5069444), wk = 0.0029940 k( 334) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0029940 Dense grid: 183239 G-vectors FFT dimensions: ( 80, 80, 80) Smooth grid: 41559 G-vectors FFT dimensions: ( 50, 50, 50) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.21 Mb ( 300, 46) NL pseudopotentials 0.28 Mb ( 150, 124) Each V/rho on FFT grid 0.29 Mb ( 19200) Each G-vector array 0.04 Mb ( 5091) G-vector shells 0.01 Mb ( 983) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.84 Mb ( 300, 184) Each subspace H/S matrix 0.03 Mb ( 46, 46) Each matrix 0.17 Mb ( 124, 2, 46) The potential is recalculated from file : ./Be2Ag.save/charge-density.dat Starting wfc are 76 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.2 secs Computing kpt #: 2 total cpu time spent up to now is 2.7 secs Computing kpt #: 3 total cpu time spent up to now is 3.3 secs Computing kpt #: 4 total cpu time spent up to now is 3.8 secs Computing kpt #: 5 total cpu time spent up to now is 4.3 secs Computing kpt #: 6 total cpu time spent up to now is 4.9 secs Computing kpt #: 7 total cpu time spent up to now is 5.4 secs Computing kpt #: 8 total cpu time spent up to now is 6.0 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 7.0 secs Computing kpt #: 11 total cpu time spent up to now is 7.6 secs Computing kpt #: 12 total cpu time spent up to now is 8.1 secs Computing kpt #: 13 total cpu time spent up to now is 8.7 secs Computing kpt #: 14 total cpu time spent up to now is 9.2 secs Computing kpt #: 15 total cpu time spent up to now is 9.8 secs Computing kpt #: 16 total cpu time spent up to now is 10.3 secs Computing kpt #: 17 total cpu time spent up to now is 10.8 secs Computing kpt #: 18 total cpu time spent up to now is 11.4 secs Computing kpt #: 19 total cpu time spent up to now is 12.0 secs Computing kpt #: 20 total cpu time spent up to now is 12.5 secs Computing kpt #: 21 total cpu time spent up to now is 13.0 secs Computing kpt #: 22 total cpu time spent up to now is 13.5 secs Computing kpt #: 23 total cpu time spent up to now is 14.0 secs Computing kpt #: 24 total cpu time spent up to now is 14.5 secs Computing kpt #: 25 total cpu time spent up to now is 15.0 secs Computing kpt #: 26 total cpu time spent up to now is 15.5 secs Computing kpt #: 27 total cpu time spent up to now is 16.0 secs Computing kpt #: 28 total cpu time spent up to now is 16.5 secs Computing kpt #: 29 total cpu time spent up to now is 17.0 secs Computing kpt #: 30 total cpu time spent up to now is 17.4 secs Computing kpt #: 31 total cpu time spent up to now is 17.9 secs Computing kpt #: 32 total cpu time spent up to now is 18.4 secs Computing kpt #: 33 total cpu time spent up to now is 18.8 secs Computing kpt #: 34 total cpu time spent up to now is 19.3 secs Computing kpt #: 35 total cpu time spent up to now is 19.8 secs Computing kpt #: 36 total cpu time spent up to now is 20.3 secs Computing kpt #: 37 total cpu time spent up to now is 20.7 secs Computing kpt #: 38 total cpu time spent up to now is 21.2 secs Computing kpt #: 39 total cpu time spent up to now is 21.7 secs Computing kpt #: 40 total cpu time spent up to now is 22.1 secs Computing kpt #: 41 total cpu time spent up to now is 22.6 secs Computing kpt #: 42 total cpu time spent up to now is 23.0 secs Computing kpt #: 43 total cpu time spent up to now is 23.5 secs Computing kpt #: 44 total cpu time spent up to now is 23.9 secs Computing kpt #: 45 total cpu time spent up to now is 24.4 secs Computing kpt #: 46 total cpu time spent up to now is 24.8 secs Computing kpt #: 47 total cpu time spent up to now is 25.2 secs Computing kpt #: 48 total cpu time spent up to now is 25.7 secs Computing kpt #: 49 total cpu time spent up to now is 26.2 secs Computing kpt #: 50 total cpu time spent up to now is 26.7 secs Computing kpt #: 51 total cpu time spent up to now is 27.1 secs Computing kpt #: 52 total cpu time spent up to now is 27.6 secs Computing kpt #: 53 total cpu time spent up to now is 28.2 secs Computing kpt #: 54 total cpu time spent up to now is 28.8 secs Computing kpt #: 55 total cpu time spent up to now is 29.5 secs Computing kpt #: 56 total cpu time spent up to now is 30.1 secs Computing kpt #: 57 total cpu time spent up to now is 30.7 secs Computing kpt #: 58 total cpu time spent up to now is 31.4 secs Computing kpt #: 59 total cpu time spent up to now is 32.0 secs Computing kpt #: 60 total cpu time spent up to now is 32.7 secs Computing kpt #: 61 total cpu time spent up to now is 33.3 secs Computing kpt #: 62 total cpu time spent up to now is 34.0 secs Computing kpt #: 63 total cpu time spent up to now is 34.6 secs Computing kpt #: 64 total cpu time spent up to now is 35.3 secs Computing kpt #: 65 total cpu time spent up to now is 36.0 secs Computing kpt #: 66 total cpu time spent up to now is 36.6 secs Computing kpt #: 67 total cpu time spent up to now is 37.2 secs Computing kpt #: 68 total cpu time spent up to now is 37.9 secs Computing kpt #: 69 total cpu time spent up to now is 38.5 secs Computing kpt #: 70 total cpu time spent up to now is 39.3 secs Computing kpt #: 71 total cpu time spent up to now is 39.9 secs Computing kpt #: 72 total cpu time spent up to now is 40.6 secs Computing kpt #: 73 total cpu time spent up to now is 41.2 secs Computing kpt #: 74 total cpu time spent up to now is 41.8 secs Computing kpt #: 75 total cpu time spent up to now is 42.4 secs Computing kpt #: 76 total cpu time spent up to now is 43.0 secs Computing kpt #: 77 total cpu time spent up to now is 43.6 secs Computing kpt #: 78 total cpu time spent up to now is 44.2 secs Computing kpt #: 79 total cpu time spent up to now is 44.8 secs Computing kpt #: 80 total cpu time spent up to now is 45.3 secs Computing kpt #: 81 total cpu time spent up to now is 45.8 secs Computing kpt #: 82 total cpu time spent up to now is 46.3 secs Computing kpt #: 83 total cpu time spent up to now is 46.7 secs Computing kpt #: 84 total cpu time spent up to now is 47.2 secs Computing kpt #: 85 total cpu time spent up to now is 47.7 secs Computing kpt #: 86 total cpu time spent up to now is 48.2 secs Computing kpt #: 87 total cpu time spent up to now is 48.6 secs Computing kpt #: 88 total cpu time spent up to now is 49.1 secs Computing kpt #: 89 total cpu time spent up to now is 49.6 secs Computing kpt #: 90 total cpu time spent up to now is 50.0 secs Computing kpt #: 91 total cpu time spent up to now is 50.5 secs Computing kpt #: 92 total cpu time spent up to now is 50.9 secs Computing kpt #: 93 total cpu time spent up to now is 51.4 secs Computing kpt #: 94 total cpu time spent up to now is 51.8 secs Computing kpt #: 95 total cpu time spent up to now is 52.3 secs Computing kpt #: 96 total cpu time spent up to now is 52.7 secs Computing kpt #: 97 total cpu time spent up to now is 53.2 secs Computing kpt #: 98 total cpu time spent up to now is 53.7 secs Computing kpt #: 99 total cpu time spent up to now is 54.1 secs Computing kpt #: 100 total cpu time spent up to now is 54.6 secs Computing kpt #: 101 total cpu time spent up to now is 55.0 secs Computing kpt #: 102 total cpu time spent up to now is 55.5 secs Computing kpt #: 103 total cpu time spent up to now is 55.9 secs Computing kpt #: 104 total cpu time spent up to now is 56.3 secs Computing kpt #: 105 total cpu time spent up to now is 56.8 secs Computing kpt #: 106 total cpu time spent up to now is 57.2 secs Computing kpt #: 107 total cpu time spent up to now is 57.7 secs Computing kpt #: 108 total cpu time spent up to now is 58.1 secs Computing kpt #: 109 total cpu time spent up to now is 58.5 secs Computing kpt #: 110 total cpu time spent up to now is 58.9 secs Computing kpt #: 111 total cpu time spent up to now is 59.4 secs Computing kpt #: 112 total cpu time spent up to now is 59.8 secs Computing kpt #: 113 total cpu time spent up to now is 60.2 secs Computing kpt #: 114 total cpu time spent up to now is 60.6 secs Computing kpt #: 115 total cpu time spent up to now is 61.0 secs Computing kpt #: 116 total cpu time spent up to now is 61.4 secs Computing kpt #: 117 total cpu time spent up to now is 61.9 secs Computing kpt #: 118 total cpu time spent up to now is 62.3 secs Computing kpt #: 119 total cpu time spent up to now is 62.7 secs Computing kpt #: 120 total cpu time spent up to now is 63.1 secs Computing kpt #: 121 total cpu time spent up to now is 63.5 secs Computing kpt #: 122 total cpu time spent up to now is 63.9 secs Computing kpt #: 123 total cpu time spent up to now is 64.4 secs Computing kpt #: 124 total cpu time spent up to now is 64.8 secs Computing kpt #: 125 total cpu time spent up to now is 65.2 secs Computing kpt #: 126 total cpu time spent up to now is 65.7 secs Computing kpt #: 127 total cpu time spent up to now is 66.1 secs Computing kpt #: 128 total cpu time spent up to now is 66.5 secs Computing kpt #: 129 total cpu time spent up to now is 67.0 secs Computing kpt #: 130 total cpu time spent up to now is 67.4 secs Computing kpt #: 131 total cpu time spent up to now is 67.9 secs Computing kpt #: 132 total cpu time spent up to now is 68.3 secs Computing kpt #: 133 total cpu time spent up to now is 68.8 secs Computing kpt #: 134 total cpu time spent up to now is 69.3 secs Computing kpt #: 135 total cpu time spent up to now is 69.7 secs Computing kpt #: 136 total cpu time spent up to now is 70.2 secs Computing kpt #: 137 total cpu time spent up to now is 70.7 secs Computing kpt #: 138 total cpu time spent up to now is 71.2 secs Computing kpt #: 139 total cpu time spent up to now is 71.7 secs Computing kpt #: 140 total cpu time spent up to now is 72.2 secs Computing kpt #: 141 total cpu time spent up to now is 72.8 secs Computing kpt #: 142 total cpu time spent up to now is 73.3 secs Computing kpt #: 143 total cpu time spent up to now is 73.9 secs Computing kpt #: 144 total cpu time spent up to now is 74.4 secs Computing kpt #: 145 total cpu time spent up to now is 74.9 secs Computing kpt #: 146 total cpu time spent up to now is 75.5 secs Computing kpt #: 147 total cpu time spent up to now is 76.0 secs Computing kpt #: 148 total cpu time spent up to now is 76.5 secs Computing kpt #: 149 total cpu time spent up to now is 77.0 secs Computing kpt #: 150 total cpu time spent up to now is 77.6 secs Computing kpt #: 151 total cpu time spent up to now is 78.1 secs Computing kpt #: 152 total cpu time spent up to now is 78.6 secs Computing kpt #: 153 total cpu time spent up to now is 79.1 secs Computing kpt #: 154 total cpu time spent up to now is 79.6 secs Computing kpt #: 155 total cpu time spent up to now is 80.2 secs Computing kpt #: 156 total cpu time spent up to now is 80.7 secs Computing kpt #: 157 total cpu time spent up to now is 81.2 secs Computing kpt #: 158 total cpu time spent up to now is 81.8 secs Computing kpt #: 159 total cpu time spent up to now is 82.3 secs Computing kpt #: 160 total cpu time spent up to now is 82.9 secs Computing kpt #: 161 total cpu time spent up to now is 83.4 secs Computing kpt #: 162 total cpu time spent up to now is 84.0 secs Computing kpt #: 163 total cpu time spent up to now is 84.5 secs Computing kpt #: 164 total cpu time spent up to now is 85.1 secs Computing kpt #: 165 total cpu time spent up to now is 85.6 secs Computing kpt #: 166 total cpu time spent up to now is 86.1 secs Computing kpt #: 167 total cpu time spent up to now is 86.7 secs Computing kpt #: 168 total cpu time spent up to now is 87.2 secs Computing kpt #: 169 total cpu time spent up to now is 87.7 secs Computing kpt #: 170 total cpu time spent up to now is 88.2 secs Computing kpt #: 171 total cpu time spent up to now is 88.7 secs Computing kpt #: 172 total cpu time spent up to now is 89.2 secs Computing kpt #: 173 total cpu time spent up to now is 89.7 secs Computing kpt #: 174 total cpu time spent up to now is 90.3 secs Computing kpt #: 175 total cpu time spent up to now is 90.9 secs Computing kpt #: 176 total cpu time spent up to now is 91.5 secs Computing kpt #: 177 total cpu time spent up to now is 92.1 secs Computing kpt #: 178 total cpu time spent up to now is 92.6 secs Computing kpt #: 179 total cpu time spent up to now is 93.2 secs Computing kpt #: 180 total cpu time spent up to now is 93.8 secs Computing kpt #: 181 total cpu time spent up to now is 94.4 secs Computing kpt #: 182 total cpu time spent up to now is 94.9 secs Computing kpt #: 183 total cpu time spent up to now is 95.5 secs Computing kpt #: 184 total cpu time spent up to now is 96.1 secs Computing kpt #: 185 total cpu time spent up to now is 96.9 secs Computing kpt #: 186 total cpu time spent up to now is 97.6 secs Computing kpt #: 187 total cpu time spent up to now is 98.4 secs Computing kpt #: 188 total cpu time spent up to now is 99.5 secs Computing kpt #: 189 total cpu time spent up to now is 100.2 secs Computing kpt #: 190 total cpu time spent up to now is 101.5 secs Computing kpt #: 191 total cpu time spent up to now is 102.4 secs Computing kpt #: 192 total cpu time spent up to now is 103.0 secs Computing kpt #: 193 total cpu time spent up to now is 103.7 secs Computing kpt #: 194 total cpu time spent up to now is 104.4 secs Computing kpt #: 195 total cpu time spent up to now is 105.1 secs Computing kpt #: 196 total cpu time spent up to now is 105.7 secs Computing kpt #: 197 total cpu time spent up to now is 106.4 secs Computing kpt #: 198 total cpu time spent up to now is 107.1 secs Computing kpt #: 199 total cpu time spent up to now is 107.6 secs Computing kpt #: 200 total cpu time spent up to now is 108.2 secs Computing kpt #: 201 total cpu time spent up to now is 108.7 secs Computing kpt #: 202 total cpu time spent up to now is 109.1 secs Computing kpt #: 203 total cpu time spent up to now is 109.6 secs Computing kpt #: 204 total cpu time spent up to now is 110.0 secs Computing kpt #: 205 total cpu time spent up to now is 110.5 secs Computing kpt #: 206 total cpu time spent up to now is 111.0 secs Computing kpt #: 207 total cpu time spent up to now is 111.5 secs Computing kpt #: 208 total cpu time spent up to now is 112.1 secs Computing kpt #: 209 total cpu time spent up to now is 112.7 secs Computing kpt #: 210 total cpu time spent up to now is 113.3 secs Computing kpt #: 211 total cpu time spent up to now is 113.9 secs Computing kpt #: 212 total cpu time spent up to now is 114.5 secs Computing kpt #: 213 total cpu time spent up to now is 115.2 secs Computing kpt #: 214 total cpu time spent up to now is 115.7 secs Computing kpt #: 215 total cpu time spent up to now is 116.2 secs Computing kpt #: 216 total cpu time spent up to now is 116.7 secs Computing kpt #: 217 total cpu time spent up to now is 117.2 secs Computing kpt #: 218 total cpu time spent up to now is 117.7 secs Computing kpt #: 219 total cpu time spent up to now is 118.1 secs Computing kpt #: 220 total cpu time spent up to now is 118.6 secs Computing kpt #: 221 total cpu time spent up to now is 119.1 secs Computing kpt #: 222 total cpu time spent up to now is 119.5 secs Computing kpt #: 223 total cpu time spent up to now is 120.0 secs Computing kpt #: 224 total cpu time spent up to now is 120.4 secs Computing kpt #: 225 total cpu time spent up to now is 120.9 secs Computing kpt #: 226 total cpu time spent up to now is 121.3 secs Computing kpt #: 227 total cpu time spent up to now is 121.8 secs Computing kpt #: 228 total cpu time spent up to now is 122.2 secs Computing kpt #: 229 total cpu time spent up to now is 122.7 secs Computing kpt #: 230 total cpu time spent up to now is 123.1 secs Computing kpt #: 231 total cpu time spent up to now is 123.6 secs Computing kpt #: 232 total cpu time spent up to now is 124.1 secs Computing kpt #: 233 total cpu time spent up to now is 124.5 secs Computing kpt #: 234 total cpu time spent up to now is 125.0 secs Computing kpt #: 235 total cpu time spent up to now is 125.5 secs Computing kpt #: 236 total cpu time spent up to now is 125.9 secs Computing kpt #: 237 total cpu time spent up to now is 126.4 secs Computing kpt #: 238 total cpu time spent up to now is 126.9 secs Computing kpt #: 239 total cpu time spent up to now is 127.3 secs Computing kpt #: 240 total cpu time spent up to now is 127.8 secs Computing kpt #: 241 total cpu time spent up to now is 128.3 secs Computing kpt #: 242 total cpu time spent up to now is 128.7 secs Computing kpt #: 243 total cpu time spent up to now is 129.2 secs Computing kpt #: 244 total cpu time spent up to now is 129.8 secs Computing kpt #: 245 total cpu time spent up to now is 130.4 secs Computing kpt #: 246 total cpu time spent up to now is 131.0 secs Computing kpt #: 247 total cpu time spent up to now is 131.6 secs Computing kpt #: 248 total cpu time spent up to now is 132.2 secs Computing kpt #: 249 total cpu time spent up to now is 132.6 secs Computing kpt #: 250 total cpu time spent up to now is 133.1 secs Computing kpt #: 251 total cpu time spent up to now is 133.6 secs Computing kpt #: 252 total cpu time spent up to now is 134.2 secs Computing kpt #: 253 total cpu time spent up to now is 134.6 secs Computing kpt #: 254 total cpu time spent up to now is 135.1 secs Computing kpt #: 255 total cpu time spent up to now is 135.6 secs Computing kpt #: 256 total cpu time spent up to now is 136.0 secs Computing kpt #: 257 total cpu time spent up to now is 136.5 secs Computing kpt #: 258 total cpu time spent up to now is 136.9 secs Computing kpt #: 259 total cpu time spent up to now is 137.4 secs Computing kpt #: 260 total cpu time spent up to now is 137.9 secs Computing kpt #: 261 total cpu time spent up to now is 138.3 secs Computing kpt #: 262 total cpu time spent up to now is 138.8 secs Computing kpt #: 263 total cpu time spent up to now is 139.3 secs Computing kpt #: 264 total cpu time spent up to now is 139.8 secs Computing kpt #: 265 total cpu time spent up to now is 140.3 secs Computing kpt #: 266 total cpu time spent up to now is 140.9 secs Computing kpt #: 267 total cpu time spent up to now is 141.6 secs Computing kpt #: 268 total cpu time spent up to now is 142.2 secs Computing kpt #: 269 total cpu time spent up to now is 142.8 secs Computing kpt #: 270 total cpu time spent up to now is 143.4 secs Computing kpt #: 271 total cpu time spent up to now is 144.0 secs Computing kpt #: 272 total cpu time spent up to now is 144.6 secs Computing kpt #: 273 total cpu time spent up to now is 145.1 secs Computing kpt #: 274 total cpu time spent up to now is 145.5 secs Computing kpt #: 275 total cpu time spent up to now is 146.0 secs Computing kpt #: 276 total cpu time spent up to now is 146.5 secs Computing kpt #: 277 total cpu time spent up to now is 146.9 secs Computing kpt #: 278 total cpu time spent up to now is 147.4 secs Computing kpt #: 279 total cpu time spent up to now is 148.0 secs Computing kpt #: 280 total cpu time spent up to now is 148.5 secs Computing kpt #: 281 total cpu time spent up to now is 149.2 secs Computing kpt #: 282 total cpu time spent up to now is 149.9 secs Computing kpt #: 283 total cpu time spent up to now is 150.6 secs Computing kpt #: 284 total cpu time spent up to now is 151.3 secs Computing kpt #: 285 total cpu time spent up to now is 152.0 secs Computing kpt #: 286 total cpu time spent up to now is 152.7 secs Computing kpt #: 287 total cpu time spent up to now is 153.2 secs Computing kpt #: 288 total cpu time spent up to now is 153.8 secs Computing kpt #: 289 total cpu time spent up to now is 154.3 secs Computing kpt #: 290 total cpu time spent up to now is 154.7 secs Computing kpt #: 291 total cpu time spent up to now is 155.2 secs Computing kpt #: 292 total cpu time spent up to now is 155.7 secs Computing kpt #: 293 total cpu time spent up to now is 156.2 secs Computing kpt #: 294 total cpu time spent up to now is 156.7 secs Computing kpt #: 295 total cpu time spent up to now is 157.2 secs Computing kpt #: 296 total cpu time spent up to now is 157.8 secs Computing kpt #: 297 total cpu time spent up to now is 158.4 secs Computing kpt #: 298 total cpu time spent up to now is 159.0 secs Computing kpt #: 299 total cpu time spent up to now is 159.6 secs Computing kpt #: 300 total cpu time spent up to now is 160.3 secs Computing kpt #: 301 total cpu time spent up to now is 160.9 secs Computing kpt #: 302 total cpu time spent up to now is 161.5 secs Computing kpt #: 303 total cpu time spent up to now is 162.0 secs Computing kpt #: 304 total cpu time spent up to now is 162.4 secs Computing kpt #: 305 total cpu time spent up to now is 162.9 secs Computing kpt #: 306 total cpu time spent up to now is 163.4 secs Computing kpt #: 307 total cpu time spent up to now is 163.9 secs Computing kpt #: 308 total cpu time spent up to now is 164.3 secs Computing kpt #: 309 total cpu time spent up to now is 164.8 secs Computing kpt #: 310 total cpu time spent up to now is 165.3 secs Computing kpt #: 311 total cpu time spent up to now is 165.7 secs Computing kpt #: 312 total cpu time spent up to now is 166.2 secs Computing kpt #: 313 total cpu time spent up to now is 166.6 secs Computing kpt #: 314 total cpu time spent up to now is 167.1 secs Computing kpt #: 315 total cpu time spent up to now is 167.5 secs Computing kpt #: 316 total cpu time spent up to now is 168.0 secs Computing kpt #: 317 total cpu time spent up to now is 168.4 secs Computing kpt #: 318 total cpu time spent up to now is 168.9 secs Computing kpt #: 319 total cpu time spent up to now is 169.5 secs Computing kpt #: 320 total cpu time spent up to now is 169.9 secs Computing kpt #: 321 total cpu time spent up to now is 170.4 secs Computing kpt #: 322 total cpu time spent up to now is 170.8 secs Computing kpt #: 323 total cpu time spent up to now is 171.3 secs Computing kpt #: 324 total cpu time spent up to now is 171.8 secs Computing kpt #: 325 total cpu time spent up to now is 172.2 secs Computing kpt #: 326 total cpu time spent up to now is 172.7 secs Computing kpt #: 327 total cpu time spent up to now is 173.1 secs Computing kpt #: 328 total cpu time spent up to now is 173.6 secs Computing kpt #: 329 total cpu time spent up to now is 174.0 secs Computing kpt #: 330 total cpu time spent up to now is 174.6 secs Computing kpt #: 331 total cpu time spent up to now is 175.3 secs Computing kpt #: 332 total cpu time spent up to now is 175.9 secs Computing kpt #: 333 total cpu time spent up to now is 176.5 secs Computing kpt #: 334 total cpu time spent up to now is 177.0 secs ethr = 2.63E-08, avg # of iterations = 20.4 total cpu time spent up to now is 177.0 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 5065 PWs) bands (ev): -88.2999 -88.2999 -88.2834 -88.2834 -88.2834 -88.2834 -88.2834 -88.2834 1.5928 1.5928 4.8659 4.8659 4.8659 4.8659 5.3127 5.3127 5.3127 5.3127 5.6143 5.6143 5.8749 5.8749 5.8749 5.8749 6.0300 6.0300 7.3203 7.3203 7.3203 7.3203 8.3322 8.3322 12.2687 12.2687 12.2687 12.2687 12.3388 12.3388 14.6768 14.6768 15.1846 15.1846 15.3085 15.3085 15.3085 15.3085 k = 0.0100-0.0058 0.0082 ( 5097 PWs) bands (ev): -88.2999 -88.2999 -88.2834 -88.2834 -88.2834 -88.2834 -88.2834 -88.2834 1.5942 1.5942 4.8654 4.8654 4.8665 4.8665 5.3126 5.3126 5.3127 5.3127 5.6143 5.6143 5.8739 5.8739 5.8757 5.8757 6.0299 6.0299 7.3198 7.3198 7.3208 7.3208 8.3328 8.3328 12.2618 12.2618 12.2643 12.2643 12.3336 12.3336 14.6835 14.6835 15.1873 15.1873 15.3088 15.3088 15.3143 15.3143 k = 0.0200-0.0115 0.0163 ( 5101 PWs) bands (ev): -88.2999 -88.2999 -88.2834 -88.2834 -88.2834 -88.2834 -88.2834 -88.2834 1.5984 1.5984 4.8636 4.8636 4.8682 4.8682 5.3124 5.3124 5.3130 5.3130 5.6144 5.6144 5.8708 5.8708 5.8782 5.8782 6.0295 6.0295 7.3181 7.3181 7.3221 7.3221 8.3347 8.3347 12.2416 12.2416 12.2509 12.2509 12.3186 12.3186 14.7037 14.7037 15.1918 15.1918 15.3114 15.3114 15.3315 15.3315 k = 0.0300-0.0173 0.0245 ( 5109 PWs) bands (ev): -88.2999 -88.2999 -88.2834 -88.2834 -88.2834 -88.2834 -88.2834 -88.2834 1.6053 1.6053 4.8608 4.8608 4.8710 4.8710 5.3122 5.3122 5.3135 5.3135 5.6146 5.6146 5.8653 5.8653 5.8822 5.8822 6.0293 6.0293 7.3154 7.3154 7.3242 7.3242 8.3378 8.3378 12.2085 12.2085 12.2273 12.2273 12.2958 12.2958 14.7369 14.7369 15.1864 15.1864 15.3224 15.3224 15.3594 15.3594 k = 0.0400-0.0231 0.0327 ( 5109 PWs) bands (ev): -88.2999 -88.2999 -88.2835 -88.2835 -88.2834 -88.2834 -88.2834 -88.2834 1.6151 1.6151 4.8567 4.8567 4.8749 4.8749 5.3120 5.3120 5.3141 5.3141 5.6149 5.6149 5.8573 5.8573 5.8878 5.8878 6.0295 6.0295 7.3115 7.3115 7.3272 7.3272 8.3422 8.3422 12.1635 12.1635 12.1921 12.1921 12.2679 12.2679 14.7827 14.7827 15.1536 15.1536 15.3497 15.3497 15.3973 15.3973 k = 0.0500-0.0289 0.0408 ( 5105 PWs) bands (ev): -88.2998 -88.2998 -88.2835 -88.2835 -88.2834 -88.2834 -88.2834 -88.2834 1.6276 1.6276 4.8514 4.8514 4.8800 4.8800 5.3118 5.3118 5.3148 5.3148 5.6153 5.6153 5.8464 5.8464 5.8950 5.8950 6.0307 6.0307 7.3066 7.3066 7.3308 7.3308 8.3477 8.3477 12.1076 12.1076 12.1446 12.1446 12.2369 12.2369 14.8404 14.8404 15.0817 15.0817 15.3934 15.3934 15.4439 15.4439 k = 0.0600-0.0346 0.0490 ( 5121 PWs) bands (ev): -88.2998 -88.2998 -88.2835 -88.2835 -88.2834 -88.2834 -88.2834 -88.2834 1.6429 1.6429 4.8447 4.8447 4.8861 4.8861 5.3117 5.3117 5.3158 5.3158 5.6161 5.6161 5.8325 5.8325 5.9037 5.9037 6.0331 6.0331 7.3006 7.3006 7.3350 7.3350 8.3544 8.3544 12.0423 12.0423 12.0859 12.0859 12.2038 12.2038 14.9094 14.9094 14.9682 14.9682 15.4493 15.4493 15.4980 15.4980 k = 0.0700-0.0404 0.0572 ( 5121 PWs) bands (ev): -88.2997 -88.2997 -88.2836 -88.2836 -88.2834 -88.2834 -88.2834 -88.2834 1.6609 1.6609 4.8367 4.8367 4.8933 4.8933 5.3118 5.3118 5.3169 5.3169 5.6171 5.6171 5.8155 5.8155 5.9138 5.9138 6.0370 6.0370 7.2936 7.2936 7.3397 7.3397 8.3623 8.3623 11.9686 11.9686 12.0176 12.0176 12.1687 12.1687 14.8190 14.8190 14.9888 14.9888 15.5139 15.5139 15.5582 15.5582 k = 0.0800-0.0462 0.0653 ( 5121 PWs) bands (ev): -88.2997 -88.2997 -88.2837 -88.2837 -88.2834 -88.2834 -88.2834 -88.2834 1.6817 1.6817 4.8272 4.8272 4.9015 4.9015 5.3121 5.3121 5.3181 5.3181 5.6185 5.6185 5.7956 5.7956 5.9255 5.9255 6.0426 6.0426 7.2855 7.2855 7.3447 7.3447 8.3712 8.3712 11.8878 11.8878 11.9412 11.9412 12.1316 12.1316 14.6442 14.6442 15.0781 15.0781 15.5849 15.5849 15.6234 15.6234 k = 0.0900-0.0520 0.0735 ( 5129 PWs) bands (ev): -88.2996 -88.2996 -88.2837 -88.2837 -88.2834 -88.2834 -88.2834 -88.2834 1.7053 1.7053 4.8162 4.8162 4.9107 4.9107 5.3128 5.3128 5.3193 5.3193 5.6203 5.6203 5.7729 5.7729 5.9385 5.9385 6.0499 6.0499 7.2764 7.2764 7.3499 7.3499 8.3812 8.3812 11.8011 11.8011 11.8583 11.8583 12.0927 12.0927 14.4526 14.4526 15.1764 15.1764 15.6604 15.6604 15.6921 15.6921 k = 0.1000-0.0577 0.0816 ( 5141 PWs) bands (ev): -88.2995 -88.2995 -88.2838 -88.2838 -88.2834 -88.2834 -88.2834 -88.2834 1.7315 1.7315 4.8037 4.8037 4.9209 4.9209 5.3139 5.3139 5.3207 5.3207 5.6227 5.6227 5.7478 5.7478 5.9529 5.9529 6.0588 6.0588 7.2663 7.2663 7.3553 7.3553 8.3922 8.3922 11.7094 11.7094 11.7699 11.7699 12.0524 12.0524 14.2503 14.2503 15.2832 15.2832 15.7387 15.7387 15.7633 15.7633 k = 0.1100-0.0635 0.0898 ( 5141 PWs) bands (ev): -88.2994 -88.2994 -88.2839 -88.2839 -88.2834 -88.2834 -88.2834 -88.2834 1.7605 1.7605 4.7897 4.7897 4.9320 4.9320 5.3154 5.3154 5.3221 5.3221 5.6257 5.6257 5.7207 5.7207 5.9687 5.9687 6.0694 6.0694 7.2552 7.2552 7.3606 7.3606 8.4042 8.4042 11.6135 11.6135 11.6771 11.6771 12.0110 12.0110 14.0414 14.0414 15.3978 15.3978 15.8186 15.8186 15.8360 15.8360 k = 0.1200-0.0693 0.0980 ( 5141 PWs) bands (ev): -88.2993 -88.2993 -88.2840 -88.2840 -88.2834 -88.2834 -88.2834 -88.2834 1.7922 1.7922 4.7741 4.7741 4.9439 4.9439 5.3173 5.3173 5.3234 5.3234 5.6293 5.6293 5.6919 5.6919 5.9857 5.9857 6.0816 6.0816 7.2431 7.2431 7.3659 7.3659 8.4171 8.4171 11.5144 11.5144 11.5806 11.5806 11.9687 11.9687 13.8285 13.8285 15.5198 15.5198 15.8990 15.8990 15.9093 15.9093 k = 0.1300-0.0751 0.1061 ( 5141 PWs) bands (ev): -88.2992 -88.2992 -88.2841 -88.2841 -88.2834 -88.2834 -88.2834 -88.2834 1.8266 1.8266 4.7571 4.7571 4.9566 4.9566 5.3196 5.3196 5.3247 5.3247 5.6337 5.6337 5.6619 5.6619 6.0041 6.0041 6.0952 6.0952 7.2301 7.2301 7.3709 7.3709 8.4307 8.4307 11.4126 11.4126 11.4811 11.4811 11.9258 11.9258 13.6135 13.6135 15.6485 15.6485 15.9789 15.9789 15.9825 15.9825 k = 0.1400-0.0808 0.1143 ( 5153 PWs) bands (ev): -88.2991 -88.2991 -88.2842 -88.2842 -88.2834 -88.2834 -88.2834 -88.2834 1.8636 1.8636 4.7387 4.7387 4.9699 4.9699 5.3222 5.3222 5.3257 5.3257 5.6312 5.6312 5.6388 5.6388 6.0237 6.0237 6.1104 6.1104 7.2162 7.2162 7.3756 7.3756 8.4452 8.4452 11.3088 11.3088 11.3793 11.3793 11.8825 11.8825 13.3976 13.3976 15.7837 15.7837 16.0550 16.0550 16.0578 16.0578 k = 0.1500-0.0866 0.1225 ( 5153 PWs) bands (ev): -88.2990 -88.2990 -88.2843 -88.2843 -88.2834 -88.2834 -88.2834 -88.2834 1.9032 1.9032 4.7191 4.7191 4.9838 4.9838 5.3252 5.3252 5.3264 5.3264 5.6003 5.6003 5.6447 5.6447 6.0445 6.0445 6.1269 6.1269 7.2013 7.2013 7.3800 7.3800 8.4602 8.4602 11.2033 11.2033 11.2757 11.2757 11.8390 11.8390 13.1818 13.1818 15.9247 15.9247 16.1266 16.1266 16.1349 16.1349 k = 0.1600-0.0924 0.1306 ( 5169 PWs) bands (ev): -88.2989 -88.2989 -88.2844 -88.2844 -88.2834 -88.2834 -88.2834 -88.2834 1.9455 1.9455 4.6982 4.6982 4.9979 4.9979 5.3264 5.3264 5.3284 5.3284 5.5699 5.5699 5.6514 5.6514 6.0665 6.0665 6.1449 6.1449 7.1856 7.1856 7.3839 7.3839 8.4759 8.4759 11.0968 11.0968 11.1707 11.1707 11.7954 11.7954 12.9668 12.9668 16.0710 16.0710 16.1970 16.1970 16.2096 16.2096 k = 0.1700-0.0981 0.1388 ( 5181 PWs) bands (ev): -88.2988 -88.2988 -88.2846 -88.2846 -88.2834 -88.2834 -88.2834 -88.2834 1.9903 1.9903 4.6762 4.6762 5.0122 5.0122 5.3254 5.3254 5.3319 5.3319 5.5408 5.5408 5.6590 5.6590 6.0897 6.0897 6.1642 6.1642 7.1690 7.1690 7.3874 7.3874 8.4920 8.4920 10.9895 10.9895 11.0648 11.0648 11.7518 11.7518 12.7533 12.7533 16.2196 16.2196 16.2685 16.2685 16.2817 16.2817 k = 0.1800-0.1039 0.1470 ( 5177 PWs) bands (ev): -88.2986 -88.2986 -88.2847 -88.2847 -88.2834 -88.2834 -88.2834 -88.2834 2.0377 2.0377 4.6532 4.6532 5.0262 5.0262 5.3231 5.3231 5.3355 5.3355 5.5139 5.5139 5.6673 5.6673 6.1141 6.1141 6.1848 6.1848 7.1516 7.1516 7.3904 7.3904 8.5083 8.5083 10.8817 10.8817 10.9581 10.9581 11.7082 11.7082 12.5420 12.5420 16.3251 16.3251 16.3509 16.3509 16.3850 16.3850 k = 0.1900-0.1097 0.1551 ( 5185 PWs) bands (ev): -88.2985 -88.2985 -88.2848 -88.2848 -88.2834 -88.2834 -88.2834 -88.2834 2.0876 2.0876 4.6294 4.6294 5.0394 5.0394 5.3189 5.3189 5.3391 5.3391 5.4905 5.4905 5.6764 5.6764 6.1396 6.1396 6.2068 6.2068 7.1333 7.1333 7.3929 7.3929 8.5249 8.5249 10.7738 10.7738 10.8511 10.8511 11.6648 11.6648 12.3332 12.3332 16.3921 16.3921 16.4174 16.4174 16.5029 16.5029 k = 0.2000-0.1155 0.1633 ( 5185 PWs) bands (ev): -88.2983 -88.2983 -88.2850 -88.2850 -88.2834 -88.2834 -88.2834 -88.2834 2.1399 2.1399 4.6050 4.6050 5.0512 5.0512 5.3125 5.3125 5.3428 5.3428 5.4716 5.4716 5.6862 5.6862 6.1663 6.1663 6.2300 6.2300 7.1142 7.1142 7.3948 7.3948 8.5413 8.5413 10.6661 10.6661 10.7441 10.7441 11.6214 11.6214 12.1275 12.1275 16.4552 16.4552 16.4812 16.4812 16.5365 16.5365 k = 0.2100-0.1212 0.1715 ( 5185 PWs) bands (ev): -88.2982 -88.2982 -88.2851 -88.2851 -88.2834 -88.2834 -88.2834 -88.2834 2.1946 2.1946 4.5799 4.5799 5.0606 5.0606 5.3042 5.3042 5.3464 5.3464 5.4582 5.4582 5.6966 5.6966 6.1940 6.1940 6.2546 6.2546 7.0943 7.0943 7.3961 7.3961 8.5575 8.5575 10.5586 10.5586 10.6371 10.6371 11.5781 11.5781 11.9255 11.9255 16.5161 16.5161 16.5427 16.5427 16.5668 16.5668 k = 0.2200-0.1270 0.1796 ( 5177 PWs) bands (ev): -88.2980 -88.2980 -88.2853 -88.2853 -88.2834 -88.2834 -88.2834 -88.2834 2.2517 2.2517 4.5545 4.5545 5.0663 5.0663 5.2955 5.2955 5.3500 5.3500 5.4503 5.4503 5.7075 5.7075 6.2228 6.2228 6.2804 6.2804 7.0738 7.0738 7.3969 7.3969 8.5730 8.5730 10.4517 10.4517 10.5304 10.5304 11.5350 11.5350 11.7276 11.7276 16.5750 16.5750 16.5984 16.5984 16.6019 16.6019 k = 0.2300-0.1328 0.1878 ( 5177 PWs) bands (ev): -88.2978 -88.2978 -88.2855 -88.2855 -88.2834 -88.2834 -88.2834 -88.2834 2.3110 2.3110 4.5288 4.5288 5.0669 5.0669 5.2883 5.2883 5.3534 5.3534 5.4474 5.4474 5.7188 5.7188 6.2526 6.2526 6.3074 6.3074 7.0524 7.0524 7.3971 7.3971 8.5875 8.5875 10.3456 10.3456 10.4243 10.4243 11.4918 11.4918 11.5344 11.5344 16.6284 16.6284 16.6354 16.6354 16.6590 16.6590 k = 0.2400-0.1386 0.1960 ( 5197 PWs) bands (ev): -88.2977 -88.2977 -88.2856 -88.2856 -88.2834 -88.2834 -88.2834 -88.2834 2.3725 2.3725 4.5029 4.5029 5.0614 5.0614 5.2847 5.2847 5.3566 5.3566 5.4485 5.4485 5.7304 5.7304 6.2834 6.2834 6.3357 6.3357 7.0305 7.0305 7.3968 7.3968 8.6006 8.6006 10.2404 10.2404 10.3188 10.3188 11.3467 11.3467 11.4487 11.4487 16.6649 16.6649 16.6893 16.6893 16.7143 16.7143 k = 0.2500-0.1443 0.2041 ( 5201 PWs) bands (ev): -88.2975 -88.2975 -88.2858 -88.2858 -88.2834 -88.2834 -88.2834 -88.2834 2.4362 2.4362 4.4769 4.4769 5.0498 5.0498 5.2855 5.2855 5.3597 5.3597 5.4532 5.4532 5.7420 5.7420 6.3151 6.3151 6.3652 6.3652 7.0079 7.0079 7.3959 7.3959 8.6117 8.6117 10.1363 10.1363 10.2142 10.2142 11.1651 11.1651 11.4056 11.4056 16.7014 16.7014 16.7435 16.7435 16.7678 16.7678 k = 0.2600-0.1501 0.2123 ( 5181 PWs) bands (ev): -88.2973 -88.2973 -88.2860 -88.2860 -88.2834 -88.2834 -88.2834 -88.2834 2.5019 2.5019 4.4511 4.4511 5.0332 5.0332 5.2902 5.2902 5.3626 5.3626 5.4609 5.4609 5.7535 5.7535 6.3477 6.3477 6.3958 6.3958 6.9849 6.9849 7.3947 7.3947 8.6200 8.6200 10.0336 10.0336 10.1105 10.1105 10.9905 10.9905 11.3624 11.3624 16.7395 16.7395 16.7965 16.7965 16.8198 16.8198 k = 0.2700-0.1559 0.2205 ( 5165 PWs) bands (ev): -88.2971 -88.2971 -88.2862 -88.2862 -88.2834 -88.2834 -88.2834 -88.2834 2.5695 2.5695 4.4254 4.4254 5.0130 5.0130 5.2977 5.2977 5.3653 5.3653 5.4716 5.4716 5.7648 5.7648 6.3811 6.3811 6.4277 6.4277 6.9614 6.9614 7.3930 7.3930 8.6245 8.6245 9.9325 9.9325 10.0078 10.0078 10.8240 10.8240 11.3191 11.3191 16.7794 16.7794 16.8482 16.8482 16.8702 16.8702 k = 0.2800-0.1617 0.2286 ( 5181 PWs) bands (ev): -88.2969 -88.2969 -88.2864 -88.2864 -88.2834 -88.2834 -88.2834 -88.2834 2.6388 2.6388 4.4000 4.4000 4.9907 4.9907 5.3067 5.3067 5.3678 5.3678 5.4851 5.4851 5.7754 5.7754 6.4150 6.4150 6.4606 6.4606 6.9376 6.9376 7.3909 7.3909 8.6244 8.6244 9.8330 9.8330 9.9064 9.9064 10.6668 10.6668 11.2757 11.2757 16.8211 16.8211 16.8986 16.8986 16.9193 16.9193 k = 0.2900-0.1674 0.2368 ( 5185 PWs) bands (ev): -88.2967 -88.2967 -88.2866 -88.2866 -88.2834 -88.2834 -88.2834 -88.2834 2.7098 2.7098 4.3750 4.3750 4.9674 4.9674 5.3162 5.3162 5.3701 5.3701 5.5013 5.5013 5.7854 5.7854 6.4492 6.4492 6.4946 6.4946 6.9138 6.9138 7.3885 7.3885 8.6181 8.6181 9.7356 9.7356 9.8063 9.8063 10.5204 10.5204 11.2321 11.2321 16.8647 16.8647 16.9477 16.9477 16.9670 16.9670 k = 0.3000-0.1732 0.2449 ( 5177 PWs) bands (ev): -88.2965 -88.2965 -88.2868 -88.2868 -88.2834 -88.2834 -88.2834 -88.2834 2.7822 2.7822 4.3504 4.3504 4.9442 4.9442 5.3257 5.3257 5.3721 5.3721 5.5201 5.5201 5.7942 5.7942 6.4835 6.4835 6.5297 6.5297 6.8902 6.8902 7.3858 7.3858 8.6045 8.6045 9.6402 9.6402 9.7076 9.7076 10.3863 10.3863 11.1882 11.1882 16.9102 16.9102 16.9955 16.9955 17.0134 17.0134 k = 0.3100-0.1790 0.2531 ( 5193 PWs) bands (ev): -88.2963 -88.2963 -88.2870 -88.2870 -88.2834 -88.2834 -88.2834 -88.2834 2.8558 2.8558 4.3263 4.3263 4.9218 4.9218 5.3346 5.3346 5.3739 5.3739 5.5415 5.5415 5.8018 5.8018 6.5172 6.5172 6.5657 6.5657 6.8674 6.8674 7.3829 7.3829 8.5819 8.5819 9.5471 9.5471 9.6104 9.6104 10.2663 10.2663 11.1441 11.1441 16.9576 16.9576 17.0421 17.0421 17.0584 17.0584 k = 0.3200-0.1848 0.2613 ( 5193 PWs) bands (ev): -88.2961 -88.2961 -88.2872 -88.2872 -88.2834 -88.2834 -88.2834 -88.2834 2.9305 2.9305 4.3028 4.3028 4.9006 4.9006 5.3429 5.3429 5.3754 5.3754 5.5652 5.5652 5.8078 5.8078 6.5493 6.5493 6.6026 6.6026 6.8464 6.8464 7.3800 7.3800 8.5493 8.5493 9.4561 9.4561 9.5149 9.5149 10.1621 10.1621 11.0996 11.0996 17.0070 17.0070 17.0873 17.0873 17.1021 17.1021 k = 0.3300-0.1905 0.2694 ( 5193 PWs) bands (ev): -88.2959 -88.2959 -88.2875 -88.2875 -88.2834 -88.2834 -88.2834 -88.2834 3.0058 3.0058 4.2800 4.2800 4.8814 4.8814 5.3505 5.3505 5.3767 5.3767 5.5909 5.5909 5.8118 5.8118 6.5781 6.5781 6.6404 6.6404 6.8288 6.8288 7.3771 7.3771 8.5059 8.5059 9.3670 9.3670 9.4212 9.4212 10.0750 10.0750 11.0548 11.0548 17.0585 17.0585 17.1312 17.1312 17.1444 17.1444 k = 0.3400-0.1963 0.2776 ( 5193 PWs) bands (ev): -88.2956 -88.2956 -88.2877 -88.2877 -88.2834 -88.2834 -88.2834 -88.2834 3.0816 3.0816 4.2578 4.2578 4.8645 4.8645 5.3574 5.3574 5.3777 5.3777 5.6183 5.6183 5.8136 5.8136 6.6006 6.6006 6.6788 6.6788 6.8175 6.8175 7.3742 7.3742 8.4519 8.4519 9.2796 9.2796 9.3294 9.3294 10.0057 10.0057 11.0097 11.0097 17.1118 17.1118 17.1736 17.1736 17.1852 17.1852 k = 0.3500-0.2021 0.2858 ( 5193 PWs) bands (ev): -88.2954 -88.2954 -88.2879 -88.2879 -88.2834 -88.2834 -88.2834 -88.2834 3.1574 3.1574 4.2363 4.2363 4.8503 4.8503 5.3638 5.3638 5.3785 5.3785 5.6474 5.6474 5.8127 5.8127 6.6129 6.6129 6.7178 6.7178 6.8163 6.8163 7.3717 7.3717 8.3880 8.3880 9.1938 9.1938 9.2397 9.2397 9.9539 9.9539 10.9641 10.9641 17.1670 17.1670 17.2148 17.2148 17.2245 17.2245 k = 0.3600-0.2078 0.2939 ( 5193 PWs) bands (ev): -88.2952 -88.2952 -88.2881 -88.2881 -88.2834 -88.2834 -88.2834 -88.2834 3.2327 3.2327 4.2156 4.2156 4.8394 4.8394 5.3697 5.3697 5.3788 5.3788 5.6778 5.6778 5.8088 5.8088 6.6123 6.6123 6.7573 6.7573 6.8277 6.8277 7.3696 7.3696 8.3161 8.3161 9.1095 9.1095 9.1521 9.1521 9.9186 9.9186 10.9182 10.9182 17.2235 17.2235 17.2551 17.2551 17.2622 17.2622 k = 0.3700-0.2136 0.3021 ( 5209 PWs) bands (ev): -88.2949 -88.2949 -88.2884 -88.2884 -88.2834 -88.2834 -88.2834 -88.2834 3.3072 3.3072 4.1956 4.1956 4.8322 4.8322 5.3751 5.3751 5.3789 5.3789 5.7093 5.7093 5.8015 5.8015 6.6003 6.6003 6.7969 6.7969 6.8502 6.8502 7.3681 7.3681 8.2383 8.2383 9.0269 9.0269 9.0670 9.0670 9.8980 9.8980 10.8720 10.8720 17.2777 17.2777 17.2980 17.2980 17.2981 17.2981 k = 0.3800-0.2194 0.3103 ( 5205 PWs) bands (ev): -88.2947 -88.2947 -88.2886 -88.2886 -88.2834 -88.2834 -88.2834 -88.2834 3.3802 3.3802 4.1763 4.1763 4.8293 4.8293 5.3785 5.3785 5.3802 5.3802 5.7418 5.7418 5.7905 5.7905 6.5803 6.5803 6.8365 6.8365 6.8800 6.8800 7.3673 7.3673 8.1571 8.1571 8.9465 8.9465 8.9845 8.9845 9.8900 9.8900 10.8253 10.8253 17.3200 17.3200 17.3320 17.3320 17.3532 17.3532 k = 0.3900-0.2252 0.3184 ( 5213 PWs) bands (ev): -88.2945 -88.2945 -88.2889 -88.2889 -88.2834 -88.2834 -88.2834 -88.2834 3.4511 3.4511 4.1576 4.1576 4.8310 4.8310 5.3776 5.3776 5.3850 5.3850 5.7752 5.7752 5.7754 5.7754 6.5551 6.5551 6.8758 6.8758 6.9139 6.9139 7.3677 7.3677 8.0747 8.0747 8.8686 8.8686 8.9049 8.9049 9.8925 9.8925 10.7783 10.7783 17.3547 17.3547 17.3639 17.3639 17.4162 17.4162 k = 0.4000-0.2309 0.3266 ( 5209 PWs) bands (ev): -88.2942 -88.2942 -88.2891 -88.2891 -88.2834 -88.2834 -88.2834 -88.2834 3.5192 3.5192 4.1396 4.1396 4.8380 4.8380 5.3761 5.3761 5.3897 5.3897 5.7560 5.7560 5.8094 5.8094 6.5268 6.5268 6.9144 6.9144 6.9497 6.9497 7.3693 7.3693 7.9936 7.9936 8.7938 8.7938 8.8284 8.8284 9.9038 9.9038 10.7310 10.7310 17.3861 17.3861 17.3937 17.3937 17.4825 17.4825 k = 0.4100-0.2367 0.3348 ( 5205 PWs) bands (ev): -88.2940 -88.2940 -88.2894 -88.2894 -88.2834 -88.2834 -88.2834 -88.2834 3.5840 3.5840 4.1222 4.1222 4.8508 4.8508 5.3738 5.3738 5.3942 5.3942 5.7321 5.7321 5.8442 5.8442 6.4961 6.4961 6.9518 6.9518 6.9859 6.9859 7.3726 7.3726 7.9154 7.9154 8.7226 8.7226 8.7555 8.7555 9.9222 9.9222 10.6834 10.6834 17.4148 17.4148 17.4212 17.4212 17.5515 17.5515 k = 0.4200-0.2425 0.3429 ( 5205 PWs) bands (ev): -88.2937 -88.2937 -88.2896 -88.2896 -88.2834 -88.2834 -88.2834 -88.2834 3.6447 3.6447 4.1052 4.1052 4.8696 4.8696 5.3705 5.3705 5.3986 5.3986 5.7038 5.7038 5.8796 5.8796 6.4638 6.4638 6.9876 6.9876 7.0213 7.0213 7.3778 7.3778 7.8419 7.8419 8.6555 8.6555 8.6866 8.6866 9.9464 9.9464 10.6356 10.6356 17.4408 17.4408 17.4462 17.4462 17.6230 17.6230 k = 0.4300-0.2483 0.3511 ( 5197 PWs) bands (ev): -88.2935 -88.2935 -88.2899 -88.2899 -88.2834 -88.2834 -88.2834 -88.2834 3.7008 3.7008 4.0885 4.0885 4.8946 4.8946 5.3658 5.3658 5.4031 5.4031 5.6714 5.6714 5.9155 5.9155 6.4302 6.4302 7.0213 7.0213 7.0550 7.0550 7.3851 7.3851 7.7743 7.7743 8.5933 8.5933 8.6222 8.6222 9.9754 9.9754 10.5876 10.5876 17.4641 17.4641 17.4686 17.4686 17.6970 17.6970 k = 0.4400-0.2540 0.3593 ( 5189 PWs) bands (ev): -88.2932 -88.2932 -88.2901 -88.2901 -88.2834 -88.2834 -88.2834 -88.2834 3.7520 3.7520 4.0719 4.0719 4.9260 4.9260 5.3592 5.3592 5.4077 5.4077 5.6355 5.6355 5.9518 5.9518 6.3955 6.3955 7.0523 7.0523 7.0858 7.0858 7.3948 7.3948 7.7135 7.7135 8.5367 8.5367 8.5631 8.5631 10.0083 10.0083 10.5395 10.5395 17.4846 17.4846 17.4883 17.4883 17.7734 17.7734 k = 0.4500-0.2598 0.3674 ( 5185 PWs) bands (ev): -88.2930 -88.2930 -88.2904 -88.2904 -88.2834 -88.2834 -88.2834 -88.2834 3.7980 3.7980 4.0553 4.0553 4.9634 4.9634 5.3495 5.3495 5.4125 5.4125 5.5975 5.5975 5.9885 5.9885 6.3600 6.3600 7.0802 7.0802 7.1128 7.1128 7.4069 7.4069 7.6602 7.6602 8.4866 8.4866 8.5099 8.5099 10.0443 10.0443 10.4915 10.4915 17.5022 17.5022 17.5052 17.5052 17.8524 17.8524 k = 0.4600-0.2656 0.3756 ( 5201 PWs) bands (ev): -88.2927 -88.2927 -88.2906 -88.2906 -88.2834 -88.2834 -88.2834 -88.2834 3.8390 3.8390 4.0383 4.0383 5.0060 5.0060 5.3354 5.3354 5.4178 5.4178 5.5593 5.5593 6.0255 6.0255 6.3238 6.3238 7.1045 7.1045 7.1348 7.1348 7.4212 7.4212 7.6144 7.6144 8.4439 8.4439 8.4637 8.4637 10.0830 10.0830 10.4435 10.4435 17.5168 17.5168 17.5191 17.5191 17.9339 17.9339 k = 0.4700-0.2714 0.3838 ( 5193 PWs) bands (ev): -88.2924 -88.2924 -88.2909 -88.2909 -88.2834 -88.2834 -88.2834 -88.2834 3.8752 3.8752 4.0207 4.0207 5.0530 5.0530 5.3148 5.3148 5.4239 5.4239 5.5237 5.5237 6.0627 6.0627 6.2870 6.2870 7.1251 7.1251 7.1510 7.1510 7.4374 7.4374 7.5760 7.5760 8.4099 8.4099 8.4254 8.4254 10.1238 10.1238 10.3958 10.3958 17.5283 17.5283 17.5300 17.5300 18.0179 18.0179 k = 0.4800-0.2771 0.3919 ( 5202 PWs) bands (ev): -88.2922 -88.2922 -88.2912 -88.2912 -88.2834 -88.2834 -88.2834 -88.2834 3.9069 3.9069 4.0020 4.0020 5.1027 5.1027 5.2858 5.2858 5.4312 5.4312 5.4934 5.4934 6.1000 6.1000 6.2499 6.2499 7.1418 7.1418 7.1609 7.1609 7.4551 7.4551 7.5442 7.5442 8.3855 8.3855 8.3962 8.3962 10.1664 10.1664 10.3485 10.3485 17.5367 17.5367 17.5378 17.5378 18.1045 18.1045 k = 0.4900-0.2829 0.4001 ( 5218 PWs) bands (ev): -88.2919 -88.2919 -88.2914 -88.2914 -88.2834 -88.2834 -88.2834 -88.2834 3.9349 3.9349 3.9819 3.9819 5.1535 5.1535 5.2479 5.2479 5.4405 5.4405 5.4700 5.4700 6.1375 6.1375 6.2125 6.2125 7.1542 7.1542 7.1644 7.1644 7.4740 7.4740 7.5175 7.5175 8.3716 8.3716 8.3771 8.3771 10.2104 10.2104 10.3017 10.3017 17.5418 17.5418 17.5423 17.5423 18.1936 18.1936 k = 0.5000-0.2887 0.4082 ( 5218 PWs) bands (ev): -88.2917 -88.2917 -88.2917 -88.2917 -88.2834 -88.2834 -88.2834 -88.2834 3.9597 3.9597 3.9597 3.9597 5.2028 5.2028 5.2028 5.2028 5.4529 5.4529 5.4529 5.4529 6.1751 6.1751 6.1751 6.1751 7.1620 7.1620 7.1620 7.1620 7.4945 7.4945 7.4946 7.4946 8.3687 8.3687 8.3687 8.3687 10.2556 10.2556 10.2556 10.2556 17.5437 17.5437 17.5437 17.5437 18.2854 18.2854 k = 0.5000-0.2887 0.4082 ( 5218 PWs) bands (ev): -88.2917 -88.2917 -88.2917 -88.2917 -88.2834 -88.2834 -88.2834 -88.2834 3.9597 3.9597 3.9597 3.9597 5.2028 5.2028 5.2028 5.2028 5.4529 5.4529 5.4529 5.4529 6.1751 6.1751 6.1751 6.1751 7.1620 7.1620 7.1620 7.1620 7.4945 7.4945 7.4946 7.4946 8.3687 8.3687 8.3687 8.3687 10.2556 10.2556 10.2556 10.2556 17.5437 17.5437 17.5437 17.5437 18.2854 18.2854 k = 0.5000-0.2771 0.4164 ( 5218 PWs) bands (ev): -88.2917 -88.2917 -88.2917 -88.2917 -88.2834 -88.2834 -88.2834 -88.2834 3.9593 3.9593 3.9607 3.9607 5.1996 5.1996 5.2062 5.2062 5.4508 5.4508 5.4558 5.4558 6.1675 6.1675 6.1815 6.1815 7.1560 7.1560 7.1680 7.1680 7.4938 7.4938 7.4950 7.4950 8.3631 8.3631 8.3646 8.3646 10.2624 10.2624 10.2635 10.2635 17.5297 17.5297 17.5306 17.5306 18.2892 18.2892 k = 0.5000-0.2656 0.4246 ( 5200 PWs) bands (ev): -88.2917 -88.2917 -88.2917 -88.2917 -88.2834 -88.2834 -88.2834 -88.2834 3.9596 3.9596 3.9625 3.9625 5.1966 5.1966 5.2098 5.2098 5.4494 5.4494 5.4594 5.4594 6.1590 6.1590 6.1870 6.1870 7.1501 7.1501 7.1740 7.1740 7.4927 7.4927 7.4951 7.4951 8.3480 8.3480 8.3511 8.3511 10.2838 10.2838 10.2861 10.2861 17.4907 17.4907 17.4921 17.4921 18.3044 18.3044 k = 0.5000-0.2540 0.4327 ( 5196 PWs) bands (ev): -88.2917 -88.2917 -88.2917 -88.2917 -88.2834 -88.2834 -88.2834 -88.2834 3.9605 3.9605 3.9648 3.9648 5.1937 5.1937 5.2135 5.2135 5.4487 5.4487 5.4637 5.4637 6.1496 6.1496 6.1912 6.1912 7.1443 7.1443 7.1801 7.1801 7.4913 7.4913 7.4949 7.4949 8.3241 8.3241 8.3290 8.3290 10.3189 10.3189 10.3223 10.3223 17.4306 17.4306 17.4320 17.4320 18.3275 18.3275 k = 0.5000-0.2425 0.4409 ( 5196 PWs) bands (ev): -88.2917 -88.2917 -88.2916 -88.2916 -88.2834 -88.2834 -88.2834 -88.2834 3.9621 3.9621 3.9679 3.9679 5.1911 5.1911 5.2173 5.2173 5.4487 5.4487 5.4687 5.4687 6.1391 6.1391 6.1942 6.1942 7.1386 7.1386 7.1862 7.1862 7.4896 7.4896 7.4944 7.4944 8.2927 8.2927 8.2994 8.2994 10.3666 10.3666 10.3710 10.3710 17.3540 17.3540 17.3549 17.3549 18.3546 18.3546 k = 0.5000-0.2309 0.4491 ( 5196 PWs) bands (ev): -88.2917 -88.2917 -88.2916 -88.2916 -88.2834 -88.2834 -88.2834 -88.2834 3.9642 3.9642 3.9715 3.9715 5.1886 5.1886 5.2213 5.2213 5.4495 5.4495 5.4746 5.4746 6.1278 6.1278 6.1959 6.1959 7.1331 7.1331 7.1924 7.1924 7.4877 7.4877 7.4936 7.4936 8.2550 8.2550 8.2638 8.2638 10.4253 10.4253 10.4307 10.4307 17.2648 17.2648 17.2650 17.2650 18.3825 18.3825 k = 0.5000-0.2194 0.4572 ( 5194 PWs) bands (ev): -88.2917 -88.2917 -88.2916 -88.2916 -88.2834 -88.2834 -88.2834 -88.2834 3.9670 3.9670 3.9756 3.9756 5.1863 5.1863 5.2254 5.2254 5.4512 5.4512 5.4813 5.4813 6.1154 6.1154 6.1961 6.1961 7.1278 7.1278 7.1986 7.1986 7.4854 7.4854 7.4926 7.4926 8.2123 8.2123 8.2235 8.2235 10.4937 10.4937 10.5000 10.5000 17.1653 17.1653 17.1660 17.1660 18.4094 18.4094 k = 0.5000-0.2078 0.4654 ( 5202 PWs) bands (ev): -88.2917 -88.2917 -88.2916 -88.2916 -88.2834 -88.2834 -88.2834 -88.2834 3.9702 3.9702 3.9803 3.9803 5.1842 5.1842 5.2295 5.2295 5.4536 5.4536 5.4888 5.4888 6.1021 6.1021 6.1947 6.1947 7.1228 7.1228 7.2048 7.2048 7.4829 7.4829 7.4912 7.4912 8.1662 8.1662 8.1800 8.1800 10.5701 10.5701 10.5772 10.5772 17.0583 17.0583 17.0600 17.0600 18.4340 18.4340 k = 0.5000-0.1963 0.4736 ( 5202 PWs) bands (ev): -88.2917 -88.2917 -88.2916 -88.2916 -88.2834 -88.2834 -88.2834 -88.2834 3.9739 3.9739 3.9854 3.9854 5.1823 5.1823 5.2336 5.2336 5.4570 5.4570 5.4973 5.4973 6.0879 6.0879 6.1917 6.1917 7.1181 7.1181 7.2112 7.2112 7.4802 7.4802 7.4897 7.4897 8.1177 8.1177 8.1345 8.1345 10.6532 10.6532 10.6611 10.6611 16.9458 16.9458 16.9486 16.9486 18.4559 18.4559 k = 0.5000-0.1848 0.4817 ( 5202 PWs) bands (ev): -88.2917 -88.2917 -88.2916 -88.2916 -88.2834 -88.2834 -88.2834 -88.2834 3.9780 3.9780 3.9909 3.9909 5.1805 5.1805 5.2377 5.2377 5.4614 5.4614 5.5066 5.5066 6.0726 6.0726 6.1869 6.1869 7.1139 7.1139 7.2176 7.2176 7.4772 7.4772 7.4879 7.4879 8.0680 8.0680 8.0881 8.0881 10.7415 10.7415 10.7502 10.7502 16.8294 16.8294 16.8332 16.8332 18.4750 18.4750 k = 0.5000-0.1732 0.4899 ( 5202 PWs) bands (ev): -88.2917 -88.2917 -88.2916 -88.2916 -88.2834 -88.2834 -88.2834 -88.2834 3.9824 3.9824 3.9967 3.9967 5.1789 5.1789 5.2417 5.2417 5.4669 5.4669 5.5169 5.5169 6.0562 6.0562 6.1803 6.1803 7.1102 7.1102 7.2241 7.2241 7.4741 7.4741 7.4859 7.4859 8.0179 8.0179 8.0417 8.0417 10.8340 10.8340 10.8433 10.8433 16.7104 16.7104 16.7153 16.7153 18.4914 18.4914 k = 0.5000-0.1617 0.4981 ( 5200 PWs) bands (ev): -88.2917 -88.2917 -88.2916 -88.2916 -88.2834 -88.2834 -88.2834 -88.2834 3.9870 3.9870 4.0027 4.0027 5.1774 5.1774 5.2457 5.2457 5.4735 5.4735 5.5282 5.5282 6.0389 6.0389 6.1717 6.1717 7.1071 7.1071 7.2307 7.2307 7.4708 7.4708 7.4839 7.4839 7.9682 7.9682 7.9960 7.9960 10.9293 10.9293 10.9393 10.9393 16.5900 16.5900 16.5959 16.5959 18.5053 18.5053 k = 0.5000-0.1501 0.5062 ( 5208 PWs) bands (ev): -88.2917 -88.2917 -88.2916 -88.2916 -88.2834 -88.2834 -88.2834 -88.2834 3.9919 3.9919 4.0088 4.0088 5.1761 5.1761 5.2494 5.2494 5.4812 5.4812 5.5405 5.5405 6.0205 6.0205 6.1612 6.1612 7.1046 7.1046 7.2374 7.2374 7.4674 7.4674 7.4817 7.4817 7.9197 7.9197 7.9519 7.9519 11.0264 11.0264 11.0372 11.0372 16.4693 16.4693 16.4761 16.4761 18.5169 18.5169 k = 0.5000-0.1386 0.5144 ( 5212 PWs) bands (ev): -88.2917 -88.2917 -88.2917 -88.2917 -88.2834 -88.2834 -88.2834 -88.2834 3.9968 3.9968 4.0150 4.0150 5.1749 5.1749 5.2529 5.2529 5.4903 5.4903 5.5538 5.5538 6.0011 6.0011 6.1488 6.1488 7.1027 7.1027 7.2443 7.2443 7.4638 7.4638 7.4796 7.4796 7.8727 7.8727 7.9097 7.9097 11.1243 11.1243 11.1357 11.1357 16.3494 16.3494 16.3571 16.3571 18.5266 18.5266 k = 0.5000-0.1270 0.5226 ( 5208 PWs) bands (ev): -88.2917 -88.2917 -88.2916 -88.2916 -88.2834 -88.2834 -88.2834 -88.2834 4.0017 4.0017 4.0212 4.0212 5.1739 5.1739 5.2562 5.2562 5.5006 5.5006 5.5681 5.5681 5.9807 5.9807 6.1344 6.1344 7.1016 7.1016 7.2513 7.2513 7.4602 7.4602 7.4774 7.4774 7.8277 7.8277 7.8699 7.8699 11.2217 11.2217 11.2338 11.2338 16.2314 16.2314 16.2400 16.2400 18.5347 18.5347 k = 0.5000-0.1155 0.5307 ( 5204 PWs) bands (ev): -88.2917 -88.2917 -88.2916 -88.2916 -88.2834 -88.2834 -88.2834 -88.2834 4.0066 4.0066 4.0272 4.0272 5.1730 5.1730 5.2592 5.2592 5.5122 5.5122 5.5833 5.5833 5.9595 5.9595 6.1184 6.1184 7.1011 7.1011 7.2585 7.2585 7.4565 7.4565 7.4754 7.4754 7.7850 7.7850 7.8329 7.8329 11.3177 11.3177 11.3304 11.3304 16.1165 16.1165 16.1260 16.1260 18.5413 18.5413 k = 0.5000-0.1039 0.5389 ( 5202 PWs) bands (ev): -88.2917 -88.2917 -88.2916 -88.2916 -88.2834 -88.2834 -88.2834 -88.2834 4.0112 4.0112 4.0330 4.0330 5.1722 5.1722 5.2620 5.2620 5.5252 5.5252 5.5994 5.5994 5.9374 5.9374 6.1007 6.1007 7.1012 7.1012 7.2657 7.2657 7.4527 7.4527 7.4736 7.4736 7.7450 7.7450 7.7989 7.7989 11.4109 11.4109 11.4243 11.4243 16.0059 16.0059 16.0162 16.0162 18.5467 18.5467 k = 0.5000-0.0924 0.5471 ( 5210 PWs) bands (ev): -88.2917 -88.2917 -88.2916 -88.2916 -88.2834 -88.2834 -88.2834 -88.2834 4.0157 4.0157 4.0385 4.0385 5.1715 5.1715 5.2644 5.2644 5.5394 5.5394 5.6162 5.6162 5.9147 5.9147 6.0818 6.0818 7.1019 7.1019 7.2730 7.2730 7.4489 7.4489 7.4720 7.4720 7.7078 7.7078 7.7681 7.7681 11.5001 11.5001 11.5142 11.5142 15.9008 15.9008 15.9120 15.9120 18.5511 18.5511 k = 0.5000-0.0808 0.5552 ( 5188 PWs) bands (ev): -88.2917 -88.2917 -88.2916 -88.2916 -88.2834 -88.2834 -88.2834 -88.2834 4.0198 4.0198 4.0435 4.0435 5.1709 5.1709 5.2665 5.2665 5.5549 5.5549 5.6336 5.6336 5.8914 5.8914 6.0620 6.0620 7.1031 7.1031 7.2803 7.2803 7.4452 7.4452 7.4708 7.4708 7.6737 7.6737 7.7408 7.7408 11.5840 11.5840 11.5988 11.5988 15.8028 15.8028 15.8147 15.8147 18.5546 18.5546 k = 0.5000-0.0693 0.5634 ( 5188 PWs) bands (ev): -88.2917 -88.2917 -88.2916 -88.2916 -88.2834 -88.2834 -88.2834 -88.2834 4.0235 4.0235 4.0481 4.0481 5.1704 5.1704 5.2683 5.2683 5.5715 5.5715 5.6513 5.6513 5.8679 5.8679 6.0417 6.0417 7.1046 7.1046 7.2875 7.2875 7.4417 7.4417 7.4700 7.4700 7.6427 7.6427 7.7170 7.7170 11.6612 11.6612 11.6766 11.6766 15.7132 15.7132 15.7259 15.7259 18.5575 18.5575 k = 0.5000-0.0577 0.5715 ( 5192 PWs) bands (ev): -88.2917 -88.2917 -88.2916 -88.2916 -88.2834 -88.2834 -88.2834 -88.2834 4.0268 4.0268 4.0521 4.0521 5.1700 5.1700 5.2698 5.2698 5.5890 5.5890 5.6689 5.6689 5.8443 5.8443 6.0215 6.0215 7.1063 7.1063 7.2943 7.2943 7.4383 7.4383 7.4698 7.4698 7.6151 7.6151 7.6969 7.6969 11.7301 11.7301 11.7461 11.7461 15.6337 15.6337 15.6471 15.6471 18.5597 18.5597 k = 0.5000-0.0462 0.5797 ( 5188 PWs) bands (ev): -88.2917 -88.2917 -88.2916 -88.2916 -88.2834 -88.2834 -88.2834 -88.2834 4.0296 4.0296 4.0555 4.0555 5.1697 5.1697 5.2710 5.2710 5.6070 5.6070 5.6857 5.6857 5.8211 5.8211 6.0023 6.0023 7.1080 7.1080 7.3005 7.3005 7.4353 7.4353 7.4703 7.4703 7.5912 7.5912 7.6804 7.6804 11.7892 11.7892 11.8057 11.8057 15.5658 15.5658 15.5798 15.5798 18.5613 18.5613 k = 0.5000-0.0346 0.5879 ( 5188 PWs) bands (ev): -88.2917 -88.2917 -88.2916 -88.2916 -88.2834 -88.2834 -88.2834 -88.2834 4.0318 4.0318 4.0582 4.0582 5.1694 5.1694 5.2719 5.2719 5.6251 5.6251 5.7010 5.7010 5.7989 5.7989 5.9849 5.9849 7.1096 7.1096 7.3059 7.3059 7.4327 7.4327 7.4715 7.4715 7.5712 7.5712 7.6676 7.6676 11.8370 11.8370 11.8540 11.8540 15.5110 15.5110 15.5255 15.5255 18.5626 18.5626 k = 0.5000-0.0231 0.5960 ( 5190 PWs) bands (ev): -88.2917 -88.2917 -88.2916 -88.2916 -88.2834 -88.2834 -88.2834 -88.2834 4.0334 4.0334 4.0601 4.0601 5.1692 5.1692 5.2726 5.2726 5.6421 5.6421 5.7136 5.7136 5.7790 5.7790 5.9708 5.9708 7.1108 7.1108 7.3102 7.3102 7.4308 7.4308 7.4731 7.4731 7.5557 7.5557 7.6585 7.6585 11.8723 11.8723 11.8896 11.8896 15.4708 15.4708 15.4857 15.4857 18.5634 18.5634 k = 0.5000-0.0115 0.6042 ( 5186 PWs) bands (ev): -88.2917 -88.2917 -88.2916 -88.2916 -88.2834 -88.2834 -88.2834 -88.2834 4.0344 4.0344 4.0613 4.0613 5.1691 5.1691 5.2730 5.2730 5.6555 5.6555 5.7220 5.7220 5.7638 5.7638 5.9614 5.9614 7.1117 7.1117 7.3129 7.3129 7.4295 7.4295 7.4747 7.4747 7.5456 7.5456 7.6531 7.6531 11.8939 11.8939 11.9115 11.9115 15.4462 15.4462 15.4613 15.4613 18.5639 18.5639 k = 0.5000 0.0000 0.6124 ( 5180 PWs) bands (ev): -88.2917 -88.2917 -88.2916 -88.2916 -88.2834 -88.2834 -88.2834 -88.2834 4.0347 4.0347 4.0617 4.0617 5.1691 5.1691 5.2731 5.2731 5.6609 5.6609 5.7250 5.7250 5.7578 5.7578 5.9581 5.9581 7.1119 7.1119 7.3138 7.3138 7.4291 7.4291 7.4754 7.4754 7.5421 7.5421 7.6512 7.6512 11.9012 11.9012 11.9188 11.9188 15.4379 15.4379 15.4531 15.4531 18.5641 18.5641 k = 0.5000 0.0000 0.6124 ( 5180 PWs) bands (ev): -88.2917 -88.2917 -88.2916 -88.2916 -88.2834 -88.2834 -88.2834 -88.2834 4.0347 4.0347 4.0617 4.0617 5.1691 5.1691 5.2731 5.2731 5.6609 5.6609 5.7250 5.7250 5.7578 5.7578 5.9581 5.9581 7.1119 7.1119 7.3138 7.3138 7.4291 7.4291 7.4754 7.4754 7.5421 7.5421 7.6512 7.6512 11.9012 11.9012 11.9188 11.9188 15.4379 15.4379 15.4531 15.4531 18.5641 18.5641 k = 0.4931 0.0120 0.6124 ( 5189 PWs) bands (ev): -88.2918 -88.2918 -88.2915 -88.2915 -88.2834 -88.2834 -88.2834 -88.2834 4.0314 4.0314 4.0648 4.0648 5.1641 5.1641 5.2764 5.2764 5.6540 5.6540 5.7216 5.7216 5.7665 5.7665 5.9611 5.9611 7.1108 7.1108 7.3129 7.3129 7.4084 7.4084 7.4877 7.4877 7.5360 7.5360 7.6725 7.6725 11.8354 11.8354 11.9783 11.9783 15.4412 15.4412 15.4570 15.4570 18.5190 18.5190 k = 0.4861 0.0241 0.6124 ( 5193 PWs) bands (ev): -88.2919 -88.2919 -88.2914 -88.2914 -88.2834 -88.2834 -88.2834 -88.2834 4.0243 4.0243 4.0713 4.0713 5.1515 5.1515 5.2843 5.2843 5.6321 5.6321 5.7242 5.7242 5.7815 5.7815 5.9692 5.9692 7.1077 7.1077 7.3109 7.3109 7.3723 7.3723 7.4957 7.4957 7.5278 7.5278 7.7276 7.7276 11.7523 11.7523 12.0428 12.0428 15.4518 15.4518 15.4674 15.4674 18.4618 18.4618 k = 0.4792 0.0361 0.6124 ( 5195 PWs) bands (ev): -88.2920 -88.2920 -88.2913 -88.2913 -88.2834 -88.2834 -88.2834 -88.2834 4.0160 4.0160 4.0789 4.0789 5.1346 5.1346 5.2937 5.2937 5.6019 5.6019 5.7335 5.7335 5.7967 5.7967 5.9810 5.9810 7.1028 7.1028 7.3070 7.3070 7.3343 7.3343 7.4845 7.4845 7.5352 7.5352 7.8010 7.8010 11.6603 11.6603 12.1043 12.1043 15.4682 15.4682 15.4851 15.4851 18.4023 18.4023 k = 0.4722 0.0481 0.6124 ( 5182 PWs) bands (ev): -88.2921 -88.2921 -88.2912 -88.2912 -88.2834 -88.2834 -88.2834 -88.2834 4.0074 4.0074 4.0867 4.0867 5.1157 5.1157 5.3029 5.3029 5.5689 5.5689 5.7458 5.7458 5.8113 5.8113 5.9953 5.9953 7.0961 7.0961 7.2844 7.2844 7.3140 7.3140 7.4679 7.4679 7.5484 7.5484 7.8848 7.8848 11.5605 11.5605 12.1624 12.1624 15.4873 15.4873 15.5119 15.5119 18.3411 18.3411 k = 0.4653 0.0601 0.6124 ( 5184 PWs) bands (ev): -88.2922 -88.2922 -88.2911 -88.2911 -88.2834 -88.2834 -88.2834 -88.2834 3.9990 3.9990 4.0945 4.0945 5.0961 5.0961 5.3109 5.3109 5.5359 5.5359 5.7590 5.7590 5.8252 5.8252 6.0112 6.0112 7.0873 7.0873 7.2456 7.2456 7.3112 7.3112 7.4523 7.4523 7.5624 7.5624 7.9759 7.9759 11.4541 11.4541 12.2168 12.2168 15.5085 15.5085 15.5474 15.5474 18.2786 18.2786 k = 0.4583 0.0722 0.6124 ( 5184 PWs) bands (ev): -88.2923 -88.2923 -88.2910 -88.2910 -88.2834 -88.2834 -88.2834 -88.2834 3.9909 3.9909 4.1022 4.1022 5.0766 5.0766 5.3169 5.3169 5.5044 5.5044 5.7722 5.7722 5.8389 5.8389 6.0280 6.0280 7.0753 7.0753 7.2079 7.2079 7.3106 7.3106 7.4383 7.4383 7.5761 7.5761 8.0725 8.0725 11.3419 11.3419 12.2674 12.2674 15.5321 15.5321 15.5896 15.5896 18.2152 18.2152 k = 0.4514 0.0842 0.6124 ( 5184 PWs) bands (ev): -88.2924 -88.2924 -88.2909 -88.2909 -88.2834 -88.2834 -88.2834 -88.2834 3.9831 3.9831 4.1098 4.1098 5.0575 5.0575 5.3202 5.3202 5.4757 5.4757 5.7846 5.7846 5.8527 5.8527 6.0450 6.0450 7.0586 7.0586 7.1750 7.1750 7.3109 7.3109 7.4261 7.4261 7.5894 7.5894 8.1737 8.1737 11.2252 11.2252 12.3139 12.3139 15.5579 15.5579 15.6371 15.6371 18.1513 18.1513 k = 0.4444 0.0962 0.6124 ( 5190 PWs) bands (ev): -88.2925 -88.2925 -88.2909 -88.2909 -88.2834 -88.2834 -88.2834 -88.2834 3.9757 3.9757 4.1172 4.1172 5.0393 5.0393 5.3201 5.3201 5.4511 5.4511 5.7957 5.7957 5.8671 5.8671 6.0618 6.0618 7.0359 7.0359 7.1493 7.1493 7.3118 7.3118 7.4153 7.4153 7.6020 7.6020 8.2788 8.2788 11.1048 11.1048 12.3564 12.3564 15.5855 15.5855 15.6885 15.6885 18.0874 18.0874 k = 0.4375 0.1083 0.6124 ( 5192 PWs) bands (ev): -88.2925 -88.2925 -88.2908 -88.2908 -88.2834 -88.2834 -88.2834 -88.2834 3.9689 3.9689 4.1244 4.1244 5.0222 5.0222 5.3156 5.3156 5.4320 5.4320 5.8052 5.8052 5.8821 5.8821 6.0780 6.0780 7.0075 7.0075 7.1311 7.1311 7.3131 7.3131 7.4058 7.4058 7.6138 7.6138 8.3868 8.3868 10.9820 10.9820 12.3947 12.3947 15.6144 15.6144 15.7426 15.7426 18.0241 18.0241 k = 0.4306 0.1203 0.6124 ( 5182 PWs) bands (ev): -88.2926 -88.2926 -88.2907 -88.2907 -88.2834 -88.2834 -88.2834 -88.2834 3.9626 3.9626 4.1312 4.1312 5.0064 5.0064 5.3063 5.3063 5.4191 5.4191 5.8131 5.8131 5.8975 5.8975 6.0934 6.0934 6.9759 6.9759 7.1185 7.1185 7.3148 7.3148 7.3975 7.3975 7.6246 7.6246 8.4969 8.4969 10.8577 10.8577 12.4287 12.4287 15.6437 15.6437 15.7979 15.7979 17.9621 17.9621 k = 0.4236 0.1323 0.6124 ( 5188 PWs) bands (ev): -88.2927 -88.2927 -88.2907 -88.2907 -88.2834 -88.2834 -88.2834 -88.2834 3.9570 3.9570 4.1375 4.1375 4.9922 4.9922 5.2935 5.2935 5.4115 5.4115 5.8196 5.8196 5.9129 5.9129 6.1078 6.1078 6.9435 6.9435 7.1096 7.1096 7.3167 7.3167 7.3902 7.3902 7.6343 7.6343 8.6083 8.6083 10.7333 10.7333 12.4587 12.4587 15.6728 15.6728 15.8530 15.8530 17.9022 17.9022 k = 0.4167 0.1443 0.6124 ( 5191 PWs) bands (ev): -88.2927 -88.2927 -88.2906 -88.2906 -88.2834 -88.2834 -88.2834 -88.2834 3.9520 3.9520 4.1434 4.1434 4.9796 4.9796 5.2790 5.2790 5.4076 5.4076 5.8248 5.8248 5.9278 5.9278 6.1210 6.1210 6.9124 6.9124 7.1029 7.1029 7.3188 7.3188 7.3838 7.3838 7.6429 7.6429 8.7195 8.7195 10.6104 10.6104 12.4844 12.4844 15.7006 15.7006 15.9063 15.9063 17.8457 17.8457 k = 0.4097 0.1564 0.6124 ( 5193 PWs) bands (ev): -88.2928 -88.2928 -88.2906 -88.2906 -88.2834 -88.2834 -88.2834 -88.2834 3.9477 3.9477 4.1486 4.1486 4.9687 4.9687 5.2647 5.2647 5.4060 5.4060 5.8289 5.8289 5.9415 5.9415 6.1328 6.1328 6.8838 6.8838 7.0979 7.0979 7.3210 7.3210 7.3783 7.3783 7.6502 7.6502 8.8287 8.8287 10.4909 10.4909 12.5061 12.5061 15.7263 15.7263 15.9562 15.9562 17.7937 17.7937 k = 0.4028 0.1684 0.6124 ( 5199 PWs) bands (ev): -88.2928 -88.2928 -88.2905 -88.2905 -88.2834 -88.2834 -88.2834 -88.2834 3.9442 3.9442 4.1530 4.1530 4.9597 4.9597 5.2518 5.2518 5.4054 5.4054 5.8320 5.8320 5.9535 5.9535 6.1430 6.1430 6.8588 6.8588 7.0941 7.0941 7.3231 7.3231 7.3737 7.3737 7.6563 7.6563 8.9333 8.9333 10.3778 10.3778 12.5237 12.5237 15.7489 15.7489 16.0007 16.0007 17.7479 17.7479 k = 0.3958 0.1804 0.6124 ( 5197 PWs) bands (ev): -88.2928 -88.2928 -88.2905 -88.2905 -88.2834 -88.2834 -88.2834 -88.2834 3.9414 3.9414 4.1566 4.1566 4.9526 4.9526 5.2411 5.2411 5.4054 5.4054 5.8344 5.8344 5.9634 5.9634 6.1514 6.1514 6.8383 6.8383 7.0913 7.0913 7.3249 7.3249 7.3700 7.3700 7.6611 7.6611 9.0290 9.0290 10.2753 10.2753 12.5373 12.5373 15.7675 15.7675 16.0380 16.0380 17.7098 17.7098 k = 0.3889 0.1925 0.6124 ( 5198 PWs) bands (ev): -88.2928 -88.2928 -88.2905 -88.2905 -88.2834 -88.2834 -88.2834 -88.2834 3.9394 3.9394 4.1592 4.1592 4.9475 4.9475 5.2332 5.2332 5.4056 5.4056 5.8360 5.8360 5.9707 5.9707 6.1577 6.1577 6.8231 6.8231 7.0894 7.0894 7.3264 7.3264 7.3672 7.3672 7.6645 7.6645 9.1091 9.1091 10.1902 10.1902 12.5470 12.5470 15.7815 15.7815 16.0663 16.0663 17.6811 17.6811 k = 0.3819 0.2045 0.6124 ( 5196 PWs) bands (ev): -88.2929 -88.2929 -88.2905 -88.2905 -88.2834 -88.2834 -88.2834 -88.2834 3.9382 3.9382 4.1608 4.1608 4.9445 4.9445 5.2284 5.2284 5.4058 5.4058 5.8370 5.8370 5.9752 5.9752 6.1616 6.1616 6.8136 6.8136 7.0882 7.0882 7.3274 7.3274 7.3654 7.3654 7.6666 7.6666 9.1643 9.1643 10.1321 10.1321 12.5528 12.5528 15.7901 15.7901 16.0840 16.0840 17.6631 17.6631 k = 0.3750 0.2165 0.6124 ( 5186 PWs) bands (ev): -88.2929 -88.2929 -88.2905 -88.2905 -88.2834 -88.2834 -88.2834 -88.2834 3.9377 3.9377 4.1614 4.1614 4.9434 4.9434 5.2268 5.2268 5.4058 5.4058 5.8373 5.8373 5.9768 5.9768 6.1630 6.1630 6.8105 6.8105 7.0879 7.0879 7.3278 7.3278 7.3648 7.3648 7.6673 7.6673 9.1843 9.1843 10.1111 10.1111 12.5548 12.5548 15.7930 15.7930 16.0900 16.0900 17.6570 17.6570 k = 0.3750 0.2165 0.6124 ( 5186 PWs) bands (ev): -88.2929 -88.2929 -88.2905 -88.2905 -88.2834 -88.2834 -88.2834 -88.2834 3.9377 3.9377 4.1614 4.1614 4.9434 4.9434 5.2268 5.2268 5.4058 5.4058 5.8373 5.8373 5.9768 5.9768 6.1630 6.1630 6.8105 6.8105 7.0879 7.0879 7.3278 7.3278 7.3648 7.3648 7.6673 7.6673 9.1843 9.1843 10.1111 10.1111 12.5548 12.5548 15.7930 15.7930 16.0900 16.0900 17.6570 17.6570 k = 0.3679 0.2124 0.6008 ( 5194 PWs) bands (ev): -88.2930 -88.2930 -88.2903 -88.2903 -88.2834 -88.2834 -88.2834 -88.2834 3.9290 3.9290 4.1834 4.1834 4.9139 4.9139 5.2064 5.2064 5.4175 5.4175 5.8590 5.8590 5.9738 5.9738 6.1604 6.1604 6.7466 6.7466 7.0658 7.0658 7.3474 7.3474 7.3646 7.3646 7.6916 7.6916 9.2690 9.2690 10.0905 10.0905 12.7219 12.7219 15.6767 15.6767 16.0002 16.0002 17.5970 17.5970 k = 0.3608 0.2083 0.5893 ( 5194 PWs) bands (ev): -88.2931 -88.2931 -88.2902 -88.2902 -88.2834 -88.2834 -88.2834 -88.2834 3.9176 3.9176 4.2062 4.2062 4.8839 4.8839 5.1860 5.1860 5.4280 5.4280 5.8707 5.8707 5.9783 5.9783 6.1593 6.1593 6.6877 6.6877 7.0428 7.0428 7.3594 7.3594 7.3780 7.3780 7.7184 7.7184 9.3568 9.3568 10.0681 10.0681 12.8877 12.8877 15.5613 15.5613 15.9134 15.9134 17.5360 17.5360 k = 0.3538 0.2043 0.5777 ( 5200 PWs) bands (ev): -88.2933 -88.2933 -88.2901 -88.2901 -88.2834 -88.2834 -88.2834 -88.2834 3.9027 3.9027 4.2299 4.2299 4.8543 4.8543 5.1658 5.1658 5.4370 5.4370 5.8719 5.8719 5.9894 5.9894 6.1600 6.1600 6.6355 6.6355 7.0182 7.0182 7.3624 7.3624 7.4064 7.4064 7.7478 7.7478 9.4474 9.4474 10.0440 10.0440 13.0516 13.0516 15.4467 15.4467 15.8299 15.8299 17.4741 17.4741 k = 0.3467 0.2002 0.5662 ( 5192 PWs) bands (ev): -88.2934 -88.2934 -88.2899 -88.2899 -88.2834 -88.2834 -88.2834 -88.2834 3.8838 3.8838 4.2544 4.2544 4.8258 4.8258 5.1458 5.1458 5.4445 5.4445 5.8658 5.8658 6.0025 6.0025 6.1629 6.1629 6.5910 6.5910 6.9918 6.9918 7.3654 7.3654 7.4409 7.4409 7.7800 7.7800 9.5409 9.5409 10.0181 10.0181 13.2131 13.2131 15.3331 15.3331 15.7499 15.7499 17.4116 17.4116 k = 0.3396 0.1961 0.5546 ( 5196 PWs) bands (ev): -88.2936 -88.2936 -88.2898 -88.2898 -88.2834 -88.2834 -88.2834 -88.2834 3.8603 3.8603 4.2795 4.2795 4.7994 4.7994 5.1261 5.1261 5.4505 5.4505 5.8558 5.8558 6.0133 6.0133 6.1674 6.1674 6.5557 6.5557 6.9639 6.9639 7.3689 7.3689 7.4808 7.4808 7.8152 7.8152 9.6371 9.6371 9.9905 9.9905 13.3715 13.3715 15.2207 15.2207 15.6734 15.6734 17.3487 17.3487 k = 0.3325 0.1920 0.5430 ( 5202 PWs) bands (ev): -88.2937 -88.2937 -88.2896 -88.2896 -88.2834 -88.2834 -88.2834 -88.2834 3.8316 3.8316 4.3052 4.3052 4.7757 4.7757 5.1070 5.1070 5.4548 5.4548 5.8440 5.8440 6.0199 6.0199 6.1717 6.1717 6.5308 6.5308 6.9346 6.9346 7.3729 7.3729 7.5259 7.5259 7.8536 7.8536 9.7356 9.7356 9.9614 9.9614 13.5262 13.5262 15.1096 15.1096 15.6006 15.6006 17.2854 17.2854 k = 0.3255 0.1879 0.5315 ( 5202 PWs) bands (ev): -88.2939 -88.2939 -88.2894 -88.2894 -88.2834 -88.2834 -88.2834 -88.2834 3.7973 3.7973 4.3315 4.3315 4.7556 4.7556 5.0885 5.0885 5.4576 5.4576 5.8312 5.8312 6.0223 6.0223 6.1734 6.1734 6.5174 6.5174 6.9043 6.9043 7.3770 7.3770 7.5762 7.5762 7.8952 7.8952 9.8355 9.8355 9.9319 9.9319 13.6765 13.6765 14.9998 14.9998 15.5317 15.5317 17.2221 17.2221 k = 0.3184 0.1838 0.5199 ( 5204 PWs) bands (ev): -88.2941 -88.2941 -88.2893 -88.2893 -88.2834 -88.2834 -88.2834 -88.2834 3.7573 3.7573 4.3582 4.3582 4.7396 4.7396 5.0706 5.0706 5.4589 5.4589 5.8180 5.8180 6.0213 6.0213 6.1705 6.1705 6.5154 6.5154 6.8735 6.8735 7.3812 7.3812 7.6317 7.6317 7.9403 7.9403 9.8908 9.8908 9.9478 9.9478 13.8217 13.8217 14.8914 14.8914 15.4666 15.4666 17.1588 17.1588 k = 0.3113 0.1797 0.5084 ( 5198 PWs) bands (ev): -88.2942 -88.2942 -88.2891 -88.2891 -88.2834 -88.2834 -88.2834 -88.2834 3.7117 3.7117 4.3852 4.3852 4.7280 4.7280 5.0535 5.0535 5.4588 5.4588 5.8047 5.8047 6.0178 6.0178 6.1625 6.1625 6.5232 6.5232 6.8427 6.8427 7.3854 7.3854 7.6920 7.6920 7.9891 7.9891 9.8602 9.8602 10.0504 10.0504 13.9612 13.9612 14.7846 14.7846 15.4055 15.4055 17.0956 17.0956 k = 0.3042 0.1757 0.4968 ( 5194 PWs) bands (ev): -88.2944 -88.2944 -88.2889 -88.2889 -88.2834 -88.2834 -88.2834 -88.2834 3.6606 3.6606 4.4125 4.4125 4.7208 4.7208 5.0373 5.0373 5.4574 5.4574 5.7914 5.7914 6.0125 6.0125 6.1504 6.1504 6.5376 6.5376 6.8129 6.8129 7.3894 7.3894 7.7571 7.7571 8.0417 8.0417 9.8251 9.8251 10.1586 10.1586 14.0942 14.0942 14.6794 14.6794 15.3483 15.3483 17.0327 17.0327 k = 0.2972 0.1716 0.4853 ( 5186 PWs) bands (ev): -88.2946 -88.2946 -88.2888 -88.2888 -88.2834 -88.2834 -88.2834 -88.2834 3.6046 3.6046 4.4400 4.4400 4.7181 4.7181 5.0220 5.0220 5.4549 5.4549 5.7784 5.7784 6.0058 6.0058 6.1356 6.1356 6.5550 6.5550 6.7857 6.7857 7.3931 7.3931 7.8267 7.8267 8.0983 8.0983 9.7884 9.7884 10.2695 10.2695 14.2201 14.2201 14.5759 14.5759 15.2952 15.2952 16.9703 16.9703 k = 0.2901 0.1675 0.4737 ( 5198 PWs) bands (ev): -88.2947 -88.2947 -88.2886 -88.2886 -88.2834 -88.2834 -88.2834 -88.2834 3.5443 3.5443 4.4675 4.4675 4.7193 4.7193 5.0078 5.0078 5.4513 5.4513 5.7656 5.7656 5.9983 5.9983 6.1192 6.1192 6.5706 6.5706 6.7638 6.7638 7.3966 7.3966 7.9004 7.9004 8.1589 8.1589 9.7505 9.7505 10.3827 10.3827 14.3382 14.3382 14.4742 14.4742 15.2462 15.2462 16.9084 16.9084 k = 0.2830 0.1634 0.4622 ( 5208 PWs) bands (ev): -88.2949 -88.2949 -88.2884 -88.2884 -88.2834 -88.2834 -88.2834 -88.2834 3.4804 3.4804 4.4949 4.4949 4.7242 4.7242 4.9947 4.9947 5.4469 5.4469 5.7532 5.7532 5.9900 5.9900 6.1023 6.1023 6.5784 6.5784 6.7516 6.7516 7.3997 7.3997 7.9780 7.9780 8.2235 8.2235 9.7120 9.7120 10.4982 10.4982 14.3741 14.3741 14.4481 14.4481 15.2012 15.2012 16.8472 16.8472 k = 0.2759 0.1593 0.4506 ( 5208 PWs) bands (ev): -88.2951 -88.2951 -88.2882 -88.2882 -88.2834 -88.2834 -88.2834 -88.2834 3.4134 3.4134 4.5222 4.5222 4.7322 4.7322 4.9830 4.9830 5.4418 5.4418 5.7412 5.7412 5.9812 5.9812 6.0853 6.0853 6.5737 6.5737 6.7532 6.7532 7.4025 7.4025 8.0590 8.0590 8.2923 8.2923 9.6731 9.6731 10.6158 10.6158 14.2761 14.2761 14.5492 14.5492 15.1602 15.1602 16.7866 16.7866 k = 0.2689 0.1552 0.4391 ( 5208 PWs) bands (ev): -88.2953 -88.2953 -88.2880 -88.2880 -88.2834 -88.2834 -88.2834 -88.2834 3.3440 3.3440 4.5492 4.5492 4.7428 4.7428 4.9729 4.9729 5.4360 5.4360 5.7296 5.7296 5.9720 5.9720 6.0688 6.0688 6.5569 6.5569 6.7674 6.7674 7.4048 7.4048 8.1430 8.1430 8.3651 8.3651 9.6343 9.6343 10.7355 10.7355 14.1800 14.1800 14.6413 14.6413 15.1233 15.1233 16.7270 16.7270 k = 0.2618 0.1511 0.4275 ( 5210 PWs) bands (ev): -88.2955 -88.2955 -88.2879 -88.2879 -88.2834 -88.2834 -88.2834 -88.2834 3.2729 3.2729 4.5757 4.5757 4.7552 4.7552 4.9645 4.9645 5.4299 5.4299 5.7184 5.7184 5.9624 5.9624 6.0528 6.0528 6.5324 6.5324 6.7895 6.7895 7.4067 7.4067 8.2294 8.2294 8.4417 8.4417 9.5963 9.5963 10.8572 10.8572 14.0859 14.0859 14.7243 14.7243 15.0904 15.0904 16.6682 16.6682 k = 0.2547 0.1471 0.4160 ( 5202 PWs) bands (ev): -88.2957 -88.2957 -88.2877 -88.2877 -88.2834 -88.2834 -88.2834 -88.2834 3.2006 3.2006 4.6016 4.6016 4.7689 4.7689 4.9583 4.9583 5.4235 5.4235 5.7076 5.7076 5.9524 5.9524 6.0377 6.0377 6.5037 6.5037 6.8156 6.8156 7.4083 7.4083 8.3177 8.3177 8.5219 8.5219 9.5599 9.5599 10.9809 10.9809 13.9939 13.9939 14.7982 14.7982 15.0617 15.0617 16.6105 16.6105 k = 0.2476 0.1430 0.4044 ( 5202 PWs) bands (ev): -88.2958 -88.2958 -88.2875 -88.2875 -88.2834 -88.2834 -88.2834 -88.2834 3.1276 3.1276 4.6269 4.6269 4.7829 4.7829 4.9549 4.9549 5.4168 5.4168 5.6972 5.6972 5.9421 5.9421 6.0236 6.0236 6.4731 6.4731 6.8434 6.8434 7.4093 7.4093 8.4070 8.4070 8.6051 8.6051 9.5264 9.5264 11.1066 11.1066 13.9039 13.9039 14.8629 14.8629 15.0371 15.0371 16.5538 16.5538 k = 0.2406 0.1389 0.3928 ( 5198 PWs) bands (ev): -88.2960 -88.2960 -88.2873 -88.2873 -88.2834 -88.2834 -88.2834 -88.2834 3.0542 3.0542 4.6512 4.6512 4.7964 4.7964 4.9549 4.9549 5.4102 5.4102 5.6873 5.6873 5.9314 5.9314 6.0105 6.0105 6.4419 6.4419 6.8717 6.8717 7.4100 7.4100 8.4961 8.4961 8.6906 8.6906 9.4974 9.4974 11.2342 11.2342 13.8161 13.8161 14.9183 14.9183 15.0172 15.0172 16.4983 16.4983 k = 0.2335 0.1348 0.3813 ( 5198 PWs) bands (ev): -88.2962 -88.2962 -88.2871 -88.2871 -88.2834 -88.2834 -88.2834 -88.2834 2.9808 2.9808 4.6745 4.6745 4.8083 4.8083 4.9589 4.9589 5.4035 5.4035 5.6777 5.6777 5.9204 5.9204 5.9985 5.9985 6.4105 6.4105 6.8998 6.8998 7.4102 7.4102 8.5832 8.5832 8.7777 8.7777 9.4758 9.4758 11.3637 11.3637 13.7304 13.7304 14.9618 14.9618 15.0049 15.0049 16.4439 16.4439 k = 0.2264 0.1307 0.3697 ( 5208 PWs) bands (ev): -88.2964 -88.2964 -88.2869 -88.2869 -88.2834 -88.2834 -88.2834 -88.2834 2.9078 2.9078 4.6965 4.6965 4.8182 4.8182 4.9675 4.9675 5.3970 5.3970 5.6685 5.6685 5.9090 5.9090 5.9878 5.9878 6.3796 6.3796 6.9273 6.9273 7.4100 7.4100 8.6649 8.6649 8.8655 8.8655 9.4651 9.4651 11.4950 11.4950 13.6470 13.6470 14.9754 14.9754 15.0189 15.0189 16.3909 16.3909 k = 0.2193 0.1266 0.3582 ( 5196 PWs) bands (ev): -88.2966 -88.2966 -88.2868 -88.2868 -88.2834 -88.2834 -88.2834 -88.2834 2.8355 2.8355 4.7170 4.7170 4.8258 4.8258 4.9805 4.9805 5.3906 5.3906 5.6598 5.6598 5.8973 5.8973 5.9783 5.9783 6.3494 6.3494 6.9540 6.9540 7.4093 7.4093 8.7364 8.7364 8.9542 8.9542 9.4703 9.4703 11.6280 11.6280 13.5659 13.5659 14.9698 14.9698 15.0487 15.0487 16.3392 16.3392 k = 0.2123 0.1226 0.3466 ( 5192 PWs) bands (ev): -88.2968 -88.2968 -88.2866 -88.2866 -88.2834 -88.2834 -88.2834 -88.2834 2.7641 2.7641 4.7356 4.7356 4.8318 4.8318 4.9974 4.9974 5.3846 5.3846 5.6515 5.6515 5.8853 5.8853 5.9699 5.9699 6.3202 6.3202 6.9799 6.9799 7.4083 7.4083 8.7911 8.7911 9.0449 9.0449 9.4964 9.4964 11.7628 11.7628 13.4870 13.4870 14.9651 14.9651 15.0752 15.0752 16.2889 16.2889 k = 0.2052 0.1185 0.3351 ( 5184 PWs) bands (ev): -88.2969 -88.2969 -88.2864 -88.2864 -88.2834 -88.2834 -88.2834 -88.2834 2.6938 2.6938 4.7520 4.7520 4.8369 4.8369 5.0173 5.0173 5.3789 5.3789 5.6437 5.6437 5.8732 5.8732 5.9627 5.9627 6.2921 6.2921 7.0047 7.0047 7.4068 7.4068 8.8245 8.8245 9.1398 9.1398 9.5457 9.5457 11.8993 11.8993 13.4106 13.4106 14.9634 14.9634 15.0966 15.0966 16.2401 16.2401 k = 0.1981 0.1144 0.3235 ( 5184 PWs) bands (ev): -88.2971 -88.2971 -88.2862 -88.2862 -88.2834 -88.2834 -88.2834 -88.2834 2.6247 2.6247 4.7657 4.7657 4.8422 4.8422 5.0392 5.0392 5.3737 5.3737 5.6364 5.6364 5.8609 5.8609 5.9566 5.9566 6.2653 6.2653 7.0285 7.0285 7.4050 7.4050 8.8368 8.8368 9.2400 9.2400 9.6167 9.6167 12.0373 12.0373 13.3364 13.3364 14.9652 14.9652 15.1130 15.1130 16.1927 16.1927 k = 0.1910 0.1103 0.3120 ( 5180 PWs) bands (ev): -88.2973 -88.2973 -88.2861 -88.2861 -88.2834 -88.2834 -88.2834 -88.2834 2.5572 2.5572 4.7766 4.7766 4.8483 4.8483 5.0624 5.0624 5.3688 5.3688 5.6296 5.6296 5.8487 5.8487 5.9514 5.9514 6.2398 6.2398 7.0513 7.0513 7.4028 7.4028 8.8322 8.8322 9.3454 9.3454 9.7049 9.7049 12.1770 12.1770 13.2648 13.2648 14.9705 14.9705 15.1250 15.1250 16.1469 16.1469 k = 0.1840 0.1062 0.3004 ( 5184 PWs) bands (ev): -88.2974 -88.2974 -88.2859 -88.2859 -88.2834 -88.2834 -88.2834 -88.2834 2.4913 2.4913 4.7848 4.7848 4.8554 4.8554 5.0861 5.0861 5.3646 5.3646 5.6236 5.6236 5.8368 5.8368 5.9471 5.9471 6.2159 6.2159 7.0729 7.0729 7.4003 7.4003 8.8160 8.8160 9.4553 9.4553 9.8057 9.8057 12.3181 12.3181 13.1956 13.1956 14.9795 14.9795 15.1329 15.1329 16.1027 16.1027 k = 0.1769 0.1021 0.2889 ( 5188 PWs) bands (ev): -88.2976 -88.2976 -88.2857 -88.2857 -88.2834 -88.2834 -88.2834 -88.2834 2.4271 2.4271 4.7907 4.7907 4.8631 4.8631 5.1097 5.1097 5.3609 5.3609 5.6183 5.6183 5.8251 5.8251 5.9435 5.9435 6.1935 6.1935 7.0936 7.0936 7.3974 7.3974 8.7924 8.7924 9.5689 9.5689 9.9153 9.9153 12.4605 12.4605 13.1290 13.1290 14.9921 14.9921 15.1373 15.1373 16.0602 16.0602 k = 0.1698 0.0980 0.2773 ( 5188 PWs) bands (ev): -88.2978 -88.2978 -88.2856 -88.2856 -88.2834 -88.2834 -88.2834 -88.2834 2.3648 2.3648 4.7950 4.7950 4.8711 4.8711 5.1327 5.1327 5.3578 5.3578 5.6138 5.6138 5.8138 5.8138 5.9406 5.9406 6.1727 6.1727 7.1132 7.1132 7.3943 7.3943 8.7643 8.7643 9.6858 9.6858 10.0311 10.0311 12.6040 12.6040 13.0653 13.0653 15.0082 15.0082 15.1386 15.1386 16.0194 16.0194 k = 0.1627 0.0940 0.2657 ( 5188 PWs) bands (ev): -88.2979 -88.2979 -88.2854 -88.2854 -88.2834 -88.2834 -88.2834 -88.2834 2.3045 2.3045 4.7984 4.7984 4.8787 4.8787 5.1547 5.1547 5.3554 5.3554 5.6104 5.6104 5.8032 5.8032 5.9383 5.9383 6.1534 6.1534 7.1317 7.1317 7.3908 7.3908 8.7337 8.7337 9.8054 9.8054 10.1513 10.1513 12.7475 12.7475 13.0054 13.0054 15.0277 15.0277 15.1375 15.1375 15.9804 15.9804 k = 0.1557 0.0899 0.2542 ( 5192 PWs) bands (ev): -88.2981 -88.2981 -88.2853 -88.2853 -88.2834 -88.2834 -88.2834 -88.2834 2.2463 2.2463 4.8012 4.8012 4.8855 4.8855 5.1751 5.1751 5.3537 5.3537 5.6082 5.6082 5.7933 5.7933 5.9363 5.9363 6.1358 6.1358 7.1493 7.1493 7.3872 7.3872 8.7019 8.7019 9.9274 9.9274 10.2746 10.2746 12.8795 12.8795 12.9608 12.9608 15.0501 15.0501 15.1345 15.1345 15.9432 15.9432 k = 0.1486 0.0858 0.2426 ( 5184 PWs) bands (ev): -88.2982 -88.2982 -88.2851 -88.2851 -88.2834 -88.2834 -88.2834 -88.2834 2.1901 2.1901 4.8039 4.8039 4.8914 4.8914 5.1936 5.1936 5.3526 5.3526 5.6071 5.6071 5.7844 5.7844 5.9347 5.9347 6.1198 6.1198 7.1659 7.1659 7.3834 7.3834 8.6698 8.6698 10.0516 10.0516 10.3999 10.3999 12.8769 12.8769 13.0545 13.0545 15.0740 15.0740 15.1314 15.1314 15.9079 15.9079 k = 0.1415 0.0817 0.2311 ( 5184 PWs) bands (ev): -88.2984 -88.2984 -88.2850 -88.2850 -88.2834 -88.2834 -88.2834 -88.2834 2.1363 2.1363 4.8065 4.8065 4.8961 4.8961 5.2100 5.2100 5.3522 5.3522 5.6074 5.6074 5.7766 5.7766 5.9332 5.9332 6.1053 6.1053 7.1815 7.1815 7.3794 7.3794 8.6381 8.6381 10.1776 10.1776 10.5264 10.5264 12.8263 12.8263 13.1998 13.1998 15.0930 15.0930 15.1350 15.1350 15.8746 15.8746 k = 0.1344 0.0776 0.2195 ( 5182 PWs) bands (ev): -88.2985 -88.2985 -88.2848 -88.2848 -88.2834 -88.2834 -88.2834 -88.2834 2.0846 2.0846 4.8092 4.8092 4.8997 4.8997 5.2241 5.2241 5.3521 5.3521 5.6088 5.6088 5.7703 5.7703 5.9318 5.9318 6.0923 6.0923 7.1962 7.1962 7.3753 7.3753 8.6072 8.6072 10.3053 10.3053 10.6534 10.6534 12.7755 12.7755 13.3487 13.3487 15.0953 15.0953 15.1570 15.1570 15.8435 15.8435 k = 0.1274 0.0735 0.2080 ( 5162 PWs) bands (ev): -88.2987 -88.2987 -88.2847 -88.2847 -88.2834 -88.2834 -88.2834 -88.2834 2.0354 2.0354 4.8122 4.8122 4.9021 4.9021 5.2361 5.2361 5.3523 5.3523 5.6111 5.6111 5.7657 5.7657 5.9303 5.9303 6.0807 6.0807 7.2099 7.2099 7.3711 7.3711 8.5775 8.5775 10.4343 10.4343 10.7804 10.7804 12.7268 12.7268 13.4990 13.4990 15.0873 15.0873 15.1910 15.1910 15.8145 15.8145 k = 0.1203 0.0694 0.1964 ( 5166 PWs) bands (ev): -88.2988 -88.2988 -88.2846 -88.2846 -88.2834 -88.2834 -88.2834 -88.2834 1.9885 1.9885 4.8153 4.8153 4.9033 4.9033 5.2460 5.2460 5.3523 5.3523 5.6141 5.6141 5.7632 5.7632 5.9287 5.9287 6.0705 6.0705 7.2227 7.2227 7.3668 7.3668 8.5492 8.5492 10.5645 10.5645 10.9066 10.9066 12.6804 12.6804 13.6500 13.6500 15.0756 15.0756 15.2304 15.2304 15.7880 15.7880 k = 0.1132 0.0654 0.1849 ( 5160 PWs) bands (ev): -88.2989 -88.2989 -88.2844 -88.2844 -88.2834 -88.2834 -88.2834 -88.2834 1.9441 1.9441 4.8186 4.8186 4.9036 4.9036 5.2544 5.2544 5.3519 5.3519 5.6171 5.6171 5.7631 5.7631 5.9268 5.9268 6.0615 6.0615 7.2346 7.2346 7.3625 7.3625 8.5225 8.5225 10.6955 10.6955 11.0316 11.0316 12.6365 12.6365 13.8013 13.8013 15.0620 15.0620 15.2732 15.2732 15.7640 15.7640 k = 0.1061 0.0613 0.1733 ( 5166 PWs) bands (ev): -88.2990 -88.2990 -88.2843 -88.2843 -88.2834 -88.2834 -88.2834 -88.2834 1.9022 1.9022 4.8222 4.8222 4.9028 4.9028 5.2614 5.2614 5.3510 5.3510 5.6196 5.6196 5.7657 5.7657 5.9247 5.9247 6.0537 6.0537 7.2457 7.2457 7.3583 7.3583 8.4976 8.4976 10.8270 10.8270 11.1548 11.1548 12.5952 12.5952 13.9524 13.9524 15.0470 15.0470 15.3184 15.3184 15.7429 15.7429 k = 0.0991 0.0572 0.1618 ( 5154 PWs) bands (ev): -88.2991 -88.2991 -88.2842 -88.2842 -88.2834 -88.2834 -88.2834 -88.2834 1.8629 1.8629 4.8259 4.8259 4.9013 4.9013 5.2676 5.2676 5.3495 5.3495 5.6214 5.6214 5.7708 5.7708 5.9221 5.9221 6.0471 6.0471 7.2559 7.2559 7.3541 7.3541 8.4745 8.4745 10.9586 10.9586 11.2754 11.2754 12.5565 12.5565 14.1028 14.1028 15.0307 15.0307 15.3651 15.3651 15.7251 15.7251 k = 0.0920 0.0531 0.1502 ( 5134 PWs) bands (ev): -88.2992 -88.2992 -88.2841 -88.2841 -88.2834 -88.2834 -88.2834 -88.2834 1.8261 1.8261 4.8298 4.8298 4.8990 4.8990 5.2731 5.2731 5.3473 5.3473 5.6222 5.6222 5.7783 5.7783 5.9192 5.9192 6.0415 6.0415 7.2653 7.2653 7.3501 7.3501 8.4533 8.4533 11.0898 11.0898 11.3931 11.3931 12.5204 12.5204 14.2518 14.2518 15.0132 15.0132 15.4117 15.4117 15.7110 15.7110 k = 0.0849 0.0490 0.1387 ( 5136 PWs) bands (ev): -88.2993 -88.2993 -88.2840 -88.2840 -88.2834 -88.2834 -88.2834 -88.2834 1.7919 1.7919 4.8337 4.8337 4.8962 4.8962 5.2782 5.2782 5.3446 5.3446 5.6222 5.6222 5.7876 5.7876 5.9159 5.9159 6.0370 6.0370 7.2738 7.2738 7.3461 7.3461 8.4339 8.4339 11.2202 11.2202 11.5070 11.5070 12.4870 12.4870 14.3983 14.3983 14.9946 14.9946 15.4559 15.4559 15.7013 15.7013 k = 0.0778 0.0449 0.1271 ( 5136 PWs) bands (ev): -88.2994 -88.2994 -88.2839 -88.2839 -88.2834 -88.2834 -88.2834 -88.2834 1.7603 1.7603 4.8377 4.8377 4.8930 4.8930 5.2829 5.2829 5.3414 5.3414 5.6216 5.6216 5.7981 5.7981 5.9122 5.9122 6.0333 6.0333 7.2816 7.2816 7.3424 7.3424 8.4164 8.4164 11.3491 11.3491 11.6165 11.6165 12.4562 12.4562 14.5407 14.5407 14.9749 14.9749 15.4941 15.4941 15.6971 15.6971 k = 0.0708 0.0409 0.1155 ( 5132 PWs) bands (ev): -88.2995 -88.2995 -88.2838 -88.2838 -88.2834 -88.2834 -88.2834 -88.2834 1.7314 1.7314 4.8417 4.8417 4.8896 4.8896 5.2874 5.2874 5.3379 5.3379 5.6205 5.6205 5.8092 5.8092 5.9081 5.9081 6.0306 6.0306 7.2886 7.2886 7.3388 7.3388 8.4008 8.4008 11.4758 11.4758 11.7209 11.7209 12.4282 12.4282 14.6766 14.6766 14.9540 14.9540 15.5207 15.5207 15.6998 15.6998 k = 0.0637 0.0368 0.1040 ( 5128 PWs) bands (ev): -88.2996 -88.2996 -88.2837 -88.2837 -88.2834 -88.2834 -88.2834 -88.2834 1.7052 1.7052 4.8456 4.8456 4.8860 4.8860 5.2916 5.2916 5.3342 5.3342 5.6193 5.6193 5.8203 5.8203 5.9038 5.9038 6.0287 6.0287 7.2948 7.2948 7.3355 7.3355 8.3870 8.3870 11.5991 11.5991 11.8195 11.8195 12.4029 12.4029 14.8011 14.8011 14.9335 14.9335 15.5288 15.5288 15.7118 15.7118 k = 0.0566 0.0327 0.0924 ( 5128 PWs) bands (ev): -88.2997 -88.2997 -88.2837 -88.2837 -88.2834 -88.2834 -88.2834 -88.2834 1.6817 1.6817 4.8493 4.8493 4.8825 4.8825 5.2956 5.2956 5.3305 5.3305 5.6181 5.6181 5.8310 5.8310 5.8993 5.8993 6.0276 6.0276 7.3003 7.3003 7.3325 7.3325 8.3749 8.3749 11.7181 11.7181 11.9113 11.9113 12.3805 12.3805 14.8812 14.8812 14.9421 14.9421 15.5144 15.5144 15.7205 15.7205 k = 0.0495 0.0286 0.0809 ( 5122 PWs) bands (ev): -88.2997 -88.2997 -88.2836 -88.2836 -88.2834 -88.2834 -88.2834 -88.2834 1.6609 1.6609 4.8528 4.8528 4.8790 4.8790 5.2993 5.2993 5.3269 5.3269 5.6170 5.6170 5.8409 5.8409 5.8947 5.8947 6.0271 6.0271 7.3051 7.3051 7.3297 7.3297 8.3645 8.3645 11.8311 11.8311 11.9955 11.9955 12.3608 12.3608 14.8660 14.8660 15.0256 15.0256 15.4809 15.4809 15.6176 15.6176 k = 0.0425 0.0245 0.0693 ( 5122 PWs) bands (ev): -88.2998 -88.2998 -88.2836 -88.2836 -88.2834 -88.2834 -88.2834 -88.2834 1.6429 1.6429 4.8560 4.8560 4.8758 4.8758 5.3026 5.3026 5.3235 5.3235 5.6161 5.6161 5.8498 5.8498 5.8902 5.8902 6.0271 6.0271 7.3092 7.3092 7.3273 7.3273 8.3556 8.3556 11.9364 11.9364 12.0711 12.0711 12.3443 12.3443 14.8356 14.8356 15.1000 15.1000 15.4366 15.4366 15.5284 15.5284 k = 0.0354 0.0204 0.0578 ( 5122 PWs) bands (ev): -88.2998 -88.2998 -88.2835 -88.2835 -88.2834 -88.2834 -88.2834 -88.2834 1.6276 1.6276 4.8589 4.8589 4.8730 4.8730 5.3056 5.3056 5.3204 5.3204 5.6154 5.6154 5.8574 5.8574 5.8861 5.8861 6.0275 6.0275 7.3126 7.3126 7.3252 7.3252 8.3483 8.3483 12.0317 12.0317 12.1370 12.1370 12.3310 12.3310 14.8012 14.8012 15.1531 15.1531 15.3901 15.3901 15.4562 15.4562 k = 0.0283 0.0163 0.0462 ( 5121 PWs) bands (ev): -88.2999 -88.2999 -88.2835 -88.2835 -88.2834 -88.2834 -88.2834 -88.2834 1.6151 1.6151 4.8613 4.8613 4.8705 4.8705 5.3080 5.3080 5.3177 5.3177 5.6149 5.6149 5.8637 5.8637 5.8823 5.8823 6.0281 6.0281 7.3154 7.3154 7.3234 7.3234 8.3424 8.3424 12.1144 12.1144 12.1918 12.1918 12.3219 12.3219 14.7652 14.7652 15.1845 15.1845 15.3499 15.3499 15.4007 15.4007 k = 0.0212 0.0123 0.0347 ( 5111 PWs) bands (ev): -88.2999 -88.2999 -88.2835 -88.2835 -88.2834 -88.2834 -88.2834 -88.2834 1.6054 1.6054 4.8633 4.8633 4.8685 4.8685 5.3100 5.3100 5.3155 5.3155 5.6146 5.6146 5.8686 5.8686 5.8792 5.8792 6.0288 6.0288 7.3176 7.3176 7.3221 7.3221 8.3379 8.3379 12.1814 12.1814 12.2330 12.2330 12.3187 12.3187 14.7310 14.7310 15.1959 15.1959 15.3237 15.3237 15.3597 15.3597 k = 0.0142 0.0082 0.0231 ( 5107 PWs) bands (ev): -88.2999 -88.2999 -88.2834 -88.2834 -88.2834 -88.2834 -88.2834 -88.2834 1.5984 1.5984 4.8647 4.8647 4.8671 4.8671 5.3115 5.3115 5.3140 5.3140 5.6144 5.6144 5.8721 5.8721 5.8769 5.8769 6.0294 6.0294 7.3191 7.3191 7.3211 7.3211 8.3347 8.3347 12.2302 12.2302 12.2574 12.2574 12.3238 12.3238 14.7025 14.7025 15.1935 15.1935 15.3122 15.3122 15.3311 15.3311 k = 0.0071 0.0041 0.0116 ( 5099 PWs) bands (ev): -88.2999 -88.2999 -88.2834 -88.2834 -88.2834 -88.2834 -88.2834 -88.2834 1.5942 1.5942 4.8656 4.8656 4.8662 4.8662 5.3124 5.3124 5.3130 5.3130 5.6143 5.6143 5.8742 5.8742 5.8754 5.8754 6.0299 6.0299 7.3200 7.3200 7.3205 7.3205 8.3328 8.3328 12.2591 12.2591 12.2667 12.2667 12.3339 12.3339 14.6834 14.6834 15.1874 15.1874 15.3090 15.3090 15.3141 15.3141 k = 0.0000 0.0000 0.0000 ( 5065 PWs) bands (ev): -88.2999 -88.2999 -88.2834 -88.2834 -88.2834 -88.2834 -88.2834 -88.2834 1.5928 1.5928 4.8659 4.8659 4.8659 4.8659 5.3127 5.3127 5.3127 5.3127 5.6143 5.6143 5.8749 5.8749 5.8749 5.8749 6.0300 6.0300 7.3203 7.3203 7.3203 7.3203 8.3322 8.3322 12.2687 12.2687 12.2687 12.2687 12.3388 12.3388 14.6768 14.6768 15.1846 15.1846 15.3085 15.3085 15.3085 15.3085 k = 0.0000 0.0000 0.0000 ( 5065 PWs) bands (ev): -88.2999 -88.2999 -88.2834 -88.2834 -88.2834 -88.2834 -88.2834 -88.2834 1.5928 1.5928 4.8659 4.8659 4.8659 4.8659 5.3127 5.3127 5.3127 5.3127 5.6143 5.6143 5.8749 5.8749 5.8749 5.8749 6.0300 6.0300 7.3203 7.3203 7.3203 7.3203 8.3322 8.3322 12.2687 12.2687 12.2687 12.2687 12.3388 12.3388 14.6768 14.6768 15.1846 15.1846 15.3085 15.3085 15.3085 15.3085 k = 0.0114 0.0066 0.0046 ( 5095 PWs) bands (ev): -88.2999 -88.2999 -88.2834 -88.2834 -88.2834 -88.2834 -88.2834 -88.2834 1.5942 1.5942 4.8658 4.8658 4.8660 4.8660 5.3123 5.3123 5.3130 5.3130 5.6144 5.6144 5.8744 5.8744 5.8752 5.8752 6.0299 6.0299 7.3202 7.3202 7.3203 7.3203 8.3328 8.3328 12.2586 12.2586 12.2675 12.2675 12.3341 12.3341 14.6832 14.6832 15.1873 15.1873 15.3089 15.3089 15.3140 15.3140 k = 0.0227 0.0131 0.0093 ( 5101 PWs) bands (ev): -88.2999 -88.2999 -88.2834 -88.2834 -88.2834 -88.2834 -88.2834 -88.2834 1.5982 1.5982 4.8655 4.8655 4.8663 4.8663 5.3113 5.3113 5.3141 5.3141 5.6144 5.6144 5.8728 5.8728 5.8763 5.8763 6.0294 6.0294 7.3201 7.3201 7.3201 7.3201 8.3346 8.3346 12.2257 12.2257 12.2641 12.2641 12.3238 12.3238 14.7013 14.7013 15.1941 15.1941 15.3101 15.3101 15.3322 15.3322 k = 0.0341 0.0197 0.0139 ( 5119 PWs) bands (ev): -88.2999 -88.2999 -88.2834 -88.2834 -88.2834 -88.2834 -88.2834 -88.2834 1.6049 1.6049 4.8651 4.8651 4.8668 4.8668 5.3097 5.3097 5.3158 5.3158 5.6146 5.6146 5.8701 5.8701 5.8779 5.8779 6.0287 6.0287 7.3197 7.3197 7.3200 7.3200 8.3377 8.3377 12.1676 12.1676 12.2584 12.2584 12.3122 12.3122 14.7278 14.7278 15.2016 15.2016 15.3114 15.3114 15.3670 15.3670 k = 0.0455 0.0262 0.0186 ( 5119 PWs) bands (ev): -88.2999 -88.2999 -88.2835 -88.2835 -88.2834 -88.2834 -88.2834 -88.2834 1.6144 1.6144 4.8644 4.8644 4.8675 4.8675 5.3074 5.3074 5.3182 5.3182 5.6149 5.6149 5.8661 5.8661 5.8803 5.8803 6.0277 6.0277 7.3193 7.3193 7.3197 7.3197 8.3421 8.3421 12.0869 12.0869 12.2504 12.2504 12.2997 12.2997 14.7588 14.7588 15.2065 15.2065 15.3121 15.3121 15.4220 15.4220 k = 0.0568 0.0328 0.0232 ( 5119 PWs) bands (ev): -88.2998 -88.2998 -88.2835 -88.2835 -88.2834 -88.2834 -88.2834 -88.2834 1.6265 1.6265 4.8636 4.8636 4.8684 4.8684 5.3045 5.3045 5.3212 5.3212 5.6154 5.6154 5.8608 5.8608 5.8835 5.8835 6.0265 6.0265 7.3187 7.3187 7.3193 7.3193 8.3479 8.3479 11.9879 11.9879 12.2401 12.2401 12.2855 12.2855 14.7904 14.7904 15.2064 15.2064 15.3107 15.3107 15.4985 15.4985 k = 0.0682 0.0394 0.0278 ( 5119 PWs) bands (ev): -88.2998 -88.2998 -88.2835 -88.2835 -88.2834 -88.2834 -88.2834 -88.2834 1.6413 1.6413 4.8627 4.8627 4.8696 4.8696 5.3011 5.3011 5.3247 5.3247 5.6160 5.6160 5.8540 5.8540 5.8875 5.8875 6.0252 6.0252 7.3180 7.3180 7.3189 7.3189 8.3552 8.3552 11.8742 11.8742 12.2275 12.2275 12.2690 12.2690 14.8205 14.8205 15.2000 15.2000 15.3049 15.3049 15.5953 15.5953 k = 0.0795 0.0459 0.0325 ( 5119 PWs) bands (ev): -88.2997 -88.2997 -88.2836 -88.2836 -88.2834 -88.2834 -88.2834 -88.2834 1.6587 1.6587 4.8617 4.8617 4.8709 4.8709 5.2971 5.2971 5.3285 5.3285 5.6169 5.6169 5.8455 5.8455 5.8923 5.8923 6.0239 6.0239 7.3172 7.3172 7.3183 7.3183 8.3639 8.3639 11.7488 11.7488 12.2127 12.2127 12.2501 12.2501 14.8482 14.8482 15.1857 15.1857 15.2915 15.2915 15.7101 15.7101 k = 0.0909 0.0525 0.0371 ( 5113 PWs) bands (ev): -88.2997 -88.2997 -88.2836 -88.2836 -88.2834 -88.2834 -88.2834 -88.2834 1.6788 1.6788 4.8607 4.8607 4.8724 4.8724 5.2927 5.2927 5.3326 5.3326 5.6180 5.6180 5.8350 5.8350 5.8980 5.8980 6.0228 6.0228 7.3163 7.3163 7.3177 7.3177 8.3743 8.3743 11.6143 11.6143 12.1956 12.1956 12.2286 12.2286 14.8732 14.8732 15.1618 15.1618 15.2669 15.2669 15.8233 15.8233 k = 0.1023 0.0590 0.0418 ( 5119 PWs) bands (ev): -88.2996 -88.2996 -88.2837 -88.2837 -88.2834 -88.2834 -88.2834 -88.2834 1.7015 1.7015 4.8597 4.8597 4.8742 4.8742 5.2880 5.2880 5.3370 5.3370 5.6191 5.6191 5.8223 5.8223 5.9047 5.9047 6.0221 6.0221 7.3152 7.3152 7.3170 7.3170 8.3863 8.3863 11.4726 11.4726 12.1762 12.1762 12.2044 12.2044 14.8957 14.8957 15.1276 15.1276 15.2280 15.2280 15.7873 15.7873 k = 0.1136 0.0656 0.0464 ( 5131 PWs) bands (ev): -88.2995 -88.2995 -88.2838 -88.2838 -88.2834 -88.2834 -88.2834 -88.2834 1.7268 1.7268 4.8586 4.8586 4.8761 4.8761 5.2832 5.2832 5.3413 5.3413 5.6202 5.6202 5.8072 5.8072 5.9125 5.9125 6.0220 6.0220 7.3139 7.3139 7.3161 7.3161 8.4001 8.4001 11.3255 11.3255 12.1545 12.1545 12.1776 12.1776 14.9150 14.9150 15.0848 15.0848 15.1747 15.1747 15.7696 15.7696 k = 0.1250 0.0722 0.0510 ( 5137 PWs) bands (ev): -88.2994 -88.2994 -88.2839 -88.2839 -88.2834 -88.2834 -88.2834 -88.2834 1.7548 1.7548 4.8576 4.8576 4.8783 4.8783 5.2782 5.2782 5.3456 5.3456 5.6211 5.6211 5.7895 5.7895 5.9214 5.9214 6.0230 6.0230 7.3125 7.3125 7.3151 7.3151 8.4156 8.4156 11.1741 11.1741 12.1307 12.1307 12.1481 12.1481 14.9274 14.9274 15.0391 15.0391 15.1093 15.1093 15.7687 15.7687 k = 0.1364 0.0787 0.0557 ( 5140 PWs) bands (ev): -88.2994 -88.2994 -88.2839 -88.2839 -88.2834 -88.2834 -88.2834 -88.2834 1.7852 1.7852 4.8566 4.8566 4.8807 4.8807 5.2734 5.2734 5.3497 5.3497 5.6215 5.6215 5.7690 5.7690 5.9314 5.9314 6.0253 6.0253 7.3110 7.3110 7.3140 7.3140 8.4329 8.4329 11.0196 11.0196 12.1046 12.1046 12.1159 12.1159 14.9166 14.9166 15.0098 15.0098 15.0356 15.0356 15.7812 15.7812 k = 0.1477 0.0853 0.0603 ( 5146 PWs) bands (ev): -88.2993 -88.2993 -88.2840 -88.2840 -88.2834 -88.2834 -88.2834 -88.2834 1.8183 1.8183 4.8558 4.8558 4.8832 4.8832 5.2688 5.2688 5.3536 5.3536 5.6211 5.6211 5.7458 5.7458 5.9427 5.9427 6.0291 6.0291 7.3093 7.3093 7.3127 7.3127 8.4519 8.4519 10.8628 10.8628 12.0764 12.0764 12.0813 12.0813 14.8701 14.8701 14.9571 14.9571 15.0120 15.0120 15.8043 15.8043 k = 0.1591 0.0919 0.0649 ( 5153 PWs) bands (ev): -88.2992 -88.2992 -88.2841 -88.2841 -88.2834 -88.2834 -88.2834 -88.2834 1.8538 1.8538 4.8551 4.8551 4.8860 4.8860 5.2647 5.2647 5.3570 5.3570 5.6194 5.6194 5.7203 5.7203 5.9553 5.9553 6.0347 6.0347 7.3074 7.3074 7.3112 7.3112 8.4725 8.4725 10.7045 10.7045 12.0442 12.0442 12.0460 12.0460 14.8081 14.8081 14.8763 14.8763 15.0277 15.0277 15.8355 15.8355 k = 0.1705 0.0984 0.0696 ( 5156 PWs) bands (ev): -88.2991 -88.2991 -88.2842 -88.2842 -88.2834 -88.2834 -88.2834 -88.2834 1.8918 1.8918 4.8545 4.8545 4.8889 4.8889 5.2611 5.2611 5.3600 5.3600 5.6153 5.6153 5.6932 5.6932 5.9691 5.9691 6.0422 6.0422 7.3054 7.3054 7.3096 7.3096 8.4946 8.4946 10.5454 10.5454 12.0047 12.0047 12.0136 12.0136 14.7420 14.7420 14.7952 14.7952 15.0473 15.0473 15.8717 15.8717 k = 0.1818 0.1050 0.0742 ( 5162 PWs) bands (ev): -88.2990 -88.2990 -88.2844 -88.2844 -88.2834 -88.2834 -88.2834 -88.2834 1.9323 1.9323 4.8541 4.8541 4.8920 4.8920 5.2582 5.2582 5.3624 5.3624 5.6062 5.6062 5.6673 5.6673 5.9843 5.9843 6.0519 6.0519 7.3032 7.3032 7.3077 7.3077 8.5182 8.5182 10.3859 10.3859 11.9629 11.9629 11.9792 11.9792 14.6754 14.6754 14.7151 14.7151 15.0685 15.0685 15.9119 15.9119 k = 0.1932 0.1115 0.0789 ( 5156 PWs) bands (ev): -88.2988 -88.2988 -88.2845 -88.2845 -88.2834 -88.2834 -88.2834 -88.2834 1.9751 1.9751 4.8539 4.8539 4.8952 4.8952 5.2562 5.2562 5.3642 5.3642 5.5872 5.5872 5.6472 5.6472 6.0008 6.0008 6.0636 6.0636 7.3009 7.3009 7.3055 7.3055 8.5430 8.5430 10.2267 10.2267 11.9192 11.9192 11.9428 11.9428 14.6098 14.6098 14.6367 14.6367 15.0905 15.0905 15.9572 15.9572 k = 0.2045 0.1181 0.0835 ( 5162 PWs) bands (ev): -88.2987 -88.2987 -88.2846 -88.2846 -88.2834 -88.2834 -88.2834 -88.2834 2.0203 2.0203 4.8539 4.8539 4.8985 4.8985 5.2551 5.2551 5.3654 5.3654 5.5566 5.5566 5.6349 5.6349 6.0186 6.0186 6.0776 6.0776 7.2983 7.2983 7.3031 7.3031 8.5689 8.5689 10.0682 10.0682 11.8735 11.8735 11.9047 11.9047 14.5461 14.5461 14.5608 14.5608 15.1130 15.1130 16.0070 16.0070 k = 0.2159 0.1247 0.0881 ( 5168 PWs) bands (ev): -88.2986 -88.2986 -88.2847 -88.2847 -88.2834 -88.2834 -88.2834 -88.2834 2.0679 2.0679 4.8541 4.8541 4.9018 4.9018 5.2550 5.2550 5.3660 5.3660 5.5184 5.5184 5.6267 5.6267 6.0376 6.0376 6.0936 6.0936 7.2955 7.2955 7.3003 7.3003 8.5954 8.5954 9.9109 9.9109 11.8261 11.8261 11.8650 11.8650 14.4849 14.4849 14.4877 14.4877 15.1357 15.1357 16.0608 16.0608 k = 0.2273 0.1312 0.0928 ( 5186 PWs) bands (ev): -88.2985 -88.2985 -88.2849 -88.2849 -88.2834 -88.2834 -88.2834 -88.2834 2.1177 2.1177 4.8545 4.8545 4.9049 4.9049 5.2561 5.2561 5.3658 5.3658 5.4757 5.4757 5.6197 5.6197 6.0578 6.0578 6.1116 6.1116 7.2926 7.2926 7.2971 7.2971 8.6223 8.6223 9.7554 9.7554 11.7773 11.7773 11.8237 11.8237 14.4178 14.4178 14.4264 14.4264 15.1585 15.1585 16.1183 16.1183 k = 0.2386 0.1378 0.0974 ( 5186 PWs) bands (ev): -88.2983 -88.2983 -88.2850 -88.2850 -88.2834 -88.2834 -88.2834 -88.2834 2.1696 2.1696 4.8551 4.8551 4.9079 4.9079 5.2585 5.2585 5.3651 5.3651 5.4298 5.4298 5.6130 5.6130 6.0791 6.0791 6.1316 6.1316 7.2894 7.2894 7.2936 7.2936 8.6489 8.6489 9.6024 9.6024 11.7273 11.7273 11.7812 11.7812 14.3513 14.3513 14.3709 14.3709 15.1813 15.1813 16.1792 16.1792 k = 0.2500 0.1443 0.1021 ( 5195 PWs) bands (ev): -88.2982 -88.2982 -88.2851 -88.2851 -88.2834 -88.2834 -88.2834 -88.2834 2.2238 2.2238 4.8559 4.8559 4.9105 4.9105 5.2620 5.2620 5.3637 5.3637 5.3816 5.3816 5.6061 5.6061 6.1015 6.1015 6.1533 6.1533 7.2860 7.2860 7.2896 7.2896 8.6745 8.6745 9.4528 9.4528 11.6763 11.6763 11.7375 11.7375 14.2882 14.2882 14.3184 14.3184 15.2038 15.2038 16.2433 16.2433 k = 0.2614 0.1509 0.1067 ( 5195 PWs) bands (ev): -88.2981 -88.2981 -88.2853 -88.2853 -88.2834 -88.2834 -88.2834 -88.2834 2.2800 2.2800 4.8569 4.8569 4.9123 4.9123 5.2667 5.2667 5.3320 5.3320 5.3617 5.3617 5.5991 5.5991 6.1248 6.1248 6.1766 6.1766 7.2824 7.2824 7.2851 7.2851 8.6974 8.6974 9.3083 9.3083 11.6246 11.6246 11.6929 11.6929 14.2287 14.2287 14.2691 14.2691 15.2259 15.2259 16.3104 16.3104 k = 0.2727 0.1575 0.1113 ( 5195 PWs) bands (ev): -88.2979 -88.2979 -88.2854 -88.2854 -88.2834 -88.2834 -88.2834 -88.2834 2.3383 2.3383 4.8582 4.8582 4.9128 4.9128 5.2708 5.2708 5.2832 5.2832 5.3592 5.3592 5.5921 5.5921 6.1489 6.1489 6.2014 6.2014 7.2786 7.2786 7.2801 7.2801 8.7141 8.7141 9.1724 9.1724 11.5726 11.5726 11.6477 11.6477 14.1727 14.1727 14.2229 14.2229 15.2475 15.2475 16.3802 16.3802 k = 0.2841 0.1640 0.1160 ( 5201 PWs) bands (ev): -88.2978 -88.2978 -88.2856 -88.2856 -88.2834 -88.2834 -88.2834 -88.2834 2.3984 2.3984 4.8596 4.8596 4.9111 4.9111 5.2302 5.2302 5.2807 5.2807 5.3561 5.3561 5.5852 5.5852 6.1737 6.1737 6.2275 6.2275 7.2745 7.2745 7.2745 7.2745 8.7162 8.7162 9.0539 9.0539 11.5205 11.5205 11.6021 11.6021 14.1203 14.1203 14.1798 14.1798 15.2684 15.2684 16.4526 16.4526 k = 0.2955 0.1706 0.1206 ( 5201 PWs) bands (ev): -88.2976 -88.2976 -88.2857 -88.2857 -88.2834 -88.2834 -88.2834 -88.2834 2.4605 2.4605 4.8613 4.8613 4.9057 4.9057 5.1821 5.1821 5.2886 5.2886 5.3527 5.3527 5.5788 5.5788 6.1989 6.1989 6.2546 6.2546 7.2684 7.2684 7.2702 7.2702 8.6848 8.6848 8.9715 8.9715 11.4687 11.4687 11.5564 11.5564 14.0713 14.0713 14.1396 14.1396 15.2885 15.2885 16.5274 16.5274 k = 0.3068 0.1771 0.1253 ( 5201 PWs) bands (ev): -88.2975 -88.2975 -88.2859 -88.2859 -88.2834 -88.2834 -88.2834 -88.2834 2.5243 2.5243 4.8631 4.8631 4.8942 4.8942 5.1384 5.1384 5.2973 5.2973 5.3489 5.3489 5.5730 5.5730 6.2246 6.2246 6.2827 6.2827 7.2616 7.2616 7.2656 7.2656 8.6060 8.6060 8.9393 8.9393 11.4175 11.4175 11.5108 11.5108 14.0258 14.0258 14.1024 14.1024 15.3076 15.3076 16.6044 16.6044 k = 0.3182 0.1837 0.1299 ( 5198 PWs) bands (ev): -88.2973 -88.2973 -88.2860 -88.2860 -88.2834 -88.2834 -88.2834 -88.2834 2.5898 2.5898 4.8650 4.8650 4.8734 4.8734 5.1025 5.1025 5.3066 5.3066 5.3447 5.3447 5.5684 5.5684 6.2505 6.2505 6.3115 6.3115 7.2542 7.2542 7.2609 7.2609 8.4970 8.4970 8.9403 8.9403 11.3671 11.3671 11.4658 11.4658 13.9837 13.9837 14.0681 14.0681 15.3257 15.3257 16.6834 16.6834 k = 0.3295 0.1903 0.1345 ( 5198 PWs) bands (ev): -88.2972 -88.2972 -88.2861 -88.2861 -88.2834 -88.2834 -88.2834 -88.2834 2.6568 2.6568 4.8408 4.8408 4.8671 4.8671 5.0770 5.0770 5.3158 5.3158 5.3404 5.3404 5.5654 5.5654 6.2764 6.2764 6.3409 6.3409 7.2461 7.2461 7.2559 7.2559 8.3772 8.3772 8.9550 8.9550 11.3179 11.3179 11.4215 11.4215 13.9448 13.9448 14.0364 14.0364 15.3427 15.3427 16.7641 16.7641 k = 0.3409 0.1968 0.1392 ( 5192 PWs) bands (ev): -88.2970 -88.2970 -88.2863 -88.2863 -88.2834 -88.2834 -88.2834 -88.2834 2.7254 2.7254 4.7967 4.7967 4.8693 4.8693 5.0619 5.0619 5.3245 5.3245 5.3358 5.3358 5.5646 5.5646 6.3022 6.3022 6.3707 6.3707 7.2374 7.2374 7.2507 7.2507 8.2554 8.2554 8.9750 8.9750 11.2703 11.2703 11.3783 11.3783 13.9090 13.9090 14.0074 14.0074 15.3585 15.3585 16.8463 16.8463 k = 0.3523 0.2034 0.1438 ( 5198 PWs) bands (ev): -88.2969 -88.2969 -88.2864 -88.2864 -88.2834 -88.2834 -88.2834 -88.2834 2.7953 2.7953 4.7437 4.7437 4.8715 4.8715 5.0545 5.0545 5.3312 5.3312 5.3320 5.3320 5.5666 5.5666 6.3276 6.3276 6.4005 6.4005 7.2281 7.2281 7.2454 7.2454 8.1351 8.1351 8.9968 8.9968 11.2244 11.2244 11.3365 11.3365 13.8763 13.8763 13.9808 13.9808 15.3731 15.3731 16.9296 16.9296 k = 0.3636 0.2099 0.1485 ( 5207 PWs) bands (ev): -88.2968 -88.2968 -88.2866 -88.2866 -88.2834 -88.2834 -88.2834 -88.2834 2.8664 2.8664 4.6845 4.6845 4.8738 4.8738 5.0522 5.0522 5.3265 5.3265 5.3379 5.3379 5.5719 5.5719 6.3525 6.3525 6.4303 6.4303 7.2181 7.2181 7.2399 7.2399 8.0180 8.0180 9.0189 9.0189 11.1807 11.1807 11.2964 11.2964 13.8464 13.8464 13.9567 13.9567 15.3865 15.3865 17.0137 17.0137 k = 0.3750 0.2165 0.1531 ( 5201 PWs) bands (ev): -88.2966 -88.2966 -88.2867 -88.2867 -88.2834 -88.2834 -88.2834 -88.2834 2.9386 2.9386 4.6212 4.6212 4.8761 4.8761 5.0532 5.0532 5.3218 5.3218 5.3417 5.3417 5.5807 5.5807 6.3766 6.3766 6.4598 6.4598 7.2076 7.2076 7.2344 7.2344 7.9054 7.9054 9.0406 9.0406 11.1393 11.1393 11.2582 11.2582 13.8194 13.8194 13.9349 13.9349 15.3986 15.3986 17.0981 17.0981 k = 0.3864 0.2231 0.1577 ( 5201 PWs) bands (ev): -88.2965 -88.2965 -88.2868 -88.2868 -88.2834 -88.2834 -88.2834 -88.2834 3.0118 3.0118 4.5549 4.5549 4.8784 4.8784 5.0561 5.0561 5.3173 5.3173 5.3433 5.3433 5.5931 5.5931 6.3998 6.3998 6.4888 6.4888 7.1966 7.1966 7.2289 7.2289 7.7981 7.7981 9.0613 9.0613 11.1005 11.1005 11.2223 11.2223 13.7952 13.7952 13.9153 13.9153 15.4095 15.4095 17.1822 17.1822 k = 0.3977 0.2296 0.1624 ( 5213 PWs) bands (ev): -88.2964 -88.2964 -88.2870 -88.2870 -88.2834 -88.2834 -88.2834 -88.2834 3.0858 3.0858 4.4865 4.4865 4.8806 4.8806 5.0602 5.0602 5.3129 5.3129 5.3429 5.3429 5.6087 5.6087 6.4219 6.4219 6.5169 6.5169 7.1853 7.1853 7.2233 7.2233 7.6967 7.6967 9.0806 9.0806 11.0646 11.0646 11.1890 11.1890 13.7735 13.7735 13.8978 13.8978 15.4191 15.4191 17.2653 17.2653 k = 0.4091 0.2362 0.1670 ( 5201 PWs) bands (ev): -88.2963 -88.2963 -88.2871 -88.2871 -88.2834 -88.2834 -88.2834 -88.2834 3.1604 3.1604 4.4165 4.4165 4.8827 4.8827 5.0651 5.0651 5.3088 5.3088 5.3408 5.3408 5.6267 5.6267 6.4424 6.4424 6.5439 6.5439 7.1738 7.1738 7.2180 7.2180 7.6021 7.6021 9.0984 9.0984 11.0319 11.0319 11.1584 11.1584 13.7544 13.7544 13.8824 13.8824 15.4276 15.4276 17.3466 17.3466 k = 0.4205 0.2427 0.1716 ( 5201 PWs) bands (ev): -88.2962 -88.2962 -88.2872 -88.2872 -88.2834 -88.2834 -88.2834 -88.2834 3.2353 3.2353 4.3455 4.3455 4.8847 4.8847 5.0702 5.0702 5.3050 5.3050 5.3376 5.3376 5.6464 5.6464 6.4614 6.4614 6.5693 6.5693 7.1623 7.1623 7.2128 7.2128 7.5152 7.5152 9.1145 9.1145 11.0024 11.0024 11.1308 11.1308 13.7377 13.7377 13.8689 13.8689 15.4350 15.4350 17.4249 17.4250 k = 0.4318 0.2493 0.1763 ( 5198 PWs) bands (ev): -88.2961 -88.2961 -88.2873 -88.2873 -88.2834 -88.2834 -88.2834 -88.2834 3.3103 3.3103 4.2739 4.2739 4.8865 4.8865 5.0754 5.0754 5.3016 5.3016 5.3336 5.3336 5.6667 5.6667 6.4784 6.4784 6.5928 6.5928 7.1511 7.1511 7.2080 7.2080 7.4367 7.4367 9.1287 9.1287 10.9765 10.9765 11.1064 11.1064 13.7234 13.7234 13.8574 13.8574 15.4413 15.4413 17.4989 17.4989 k = 0.4432 0.2559 0.1809 ( 5198 PWs) bands (ev): -88.2960 -88.2960 -88.2873 -88.2873 -88.2834 -88.2834 -88.2834 -88.2834 3.3848 3.3848 4.2021 4.2021 4.8881 4.8881 5.0803 5.0803 5.2986 5.2986 5.3294 5.3294 5.6867 5.6867 6.4933 6.4933 6.6140 6.6140 7.1406 7.1406 7.2037 7.2037 7.3676 7.3676 9.1409 9.1409 10.9543 10.9543 11.0855 11.0855 13.7114 13.7114 13.8477 13.8477 15.4465 15.4465 17.5551 17.5551 k = 0.4545 0.2624 0.1856 ( 5198 PWs) bands (ev): -88.2959 -88.2959 -88.2874 -88.2874 -88.2834 -88.2834 -88.2834 -88.2834 3.4583 3.4583 4.1308 4.1308 4.8895 4.8895 5.0847 5.0847 5.2961 5.2961 5.3253 5.3253 5.7052 5.7052 6.5059 6.5059 6.6323 6.6323 7.1311 7.1311 7.1999 7.1999 7.3091 7.3091 9.1509 9.1509 10.9359 10.9359 11.0681 11.0681 13.7017 13.7017 13.8399 13.8399 15.4507 15.4507 17.5806 17.5806 k = 0.4659 0.2690 0.1902 ( 5198 PWs) bands (ev): -88.2959 -88.2959 -88.2875 -88.2875 -88.2834 -88.2834 -88.2834 -88.2834 3.5294 3.5294 4.0615 4.0615 4.8906 4.8906 5.0884 5.0884 5.2940 5.2940 5.3218 5.3218 5.7210 5.7210 6.5159 6.5159 6.6473 6.6473 7.1232 7.1232 7.1969 7.1969 7.2620 7.2620 9.1589 9.1589 10.9215 10.9215 11.0545 11.0545 13.6942 13.6942 13.8338 13.8338 15.4540 15.4540 17.6014 17.6014 k = 0.4773 0.2756 0.1948 ( 5195 PWs) bands (ev): -88.2958 -88.2958 -88.2875 -88.2875 -88.2834 -88.2834 -88.2834 -88.2834 3.5950 3.5950 3.9971 3.9971 4.8914 4.8914 5.0912 5.0912 5.2926 5.2926 5.3190 5.3190 5.7332 5.7332 6.5232 6.5232 6.6584 6.6584 7.1172 7.1172 7.1946 7.1946 7.2274 7.2274 9.1645 9.1645 10.9111 10.9111 11.0446 11.0446 13.6888 13.6888 13.8295 13.8295 15.4562 15.4562 17.6167 17.6167 k = 0.4886 0.2821 0.1995 ( 5195 PWs) bands (ev): -88.2958 -88.2958 -88.2875 -88.2875 -88.2834 -88.2834 -88.2834 -88.2834 3.6477 3.6477 3.9452 3.9452 4.8919 4.8919 5.0930 5.0930 5.2917 5.2917 5.3172 5.3172 5.7410 5.7410 6.5276 6.5276 6.6653 6.6653 7.1135 7.1135 7.1932 7.1932 7.2062 7.2062 9.1680 9.1680 10.9049 10.9049 11.0387 11.0387 13.6856 13.6856 13.8269 13.8269 15.4576 15.4576 17.6261 17.6261 k = 0.5000 0.2887 0.2041 ( 5210 PWs) bands (ev): -88.2958 -88.2958 -88.2875 -88.2875 -88.2834 -88.2834 -88.2834 -88.2834 3.6701 3.6701 3.9231 3.9231 4.8920 4.8920 5.0936 5.0936 5.2914 5.2914 5.3166 5.3166 5.7436 5.7436 6.5291 6.5291 6.6676 6.6676 7.1123 7.1123 7.1927 7.1927 7.1990 7.1990 9.1691 9.1691 10.9028 10.9028 11.0367 11.0367 13.6845 13.6845 13.8260 13.8260 15.4581 15.4581 17.6293 17.6293 k = 0.5000 0.2887 0.2041 ( 5210 PWs) bands (ev): -88.2958 -88.2958 -88.2875 -88.2875 -88.2834 -88.2834 -88.2834 -88.2834 3.6701 3.6701 3.9231 3.9231 4.8920 4.8920 5.0936 5.0936 5.2914 5.2914 5.3166 5.3166 5.7436 5.7436 6.5291 6.5291 6.6676 6.6676 7.1123 7.1123 7.1927 7.1927 7.1990 7.1990 9.1691 9.1691 10.9028 10.9028 11.0367 11.0367 13.6845 13.6845 13.8260 13.8260 15.4581 15.4581 17.6293 17.6293 k = 0.5040 0.2770 0.2107 ( 5191 PWs) bands (ev): -88.2958 -88.2958 -88.2875 -88.2875 -88.2834 -88.2834 -88.2834 -88.2834 3.6714 3.6714 3.9229 3.9229 4.8916 4.8916 5.0927 5.0927 5.2931 5.2931 5.3181 5.3181 5.7435 5.7435 6.5285 6.5285 6.6668 6.6668 7.1120 7.1120 7.1892 7.1892 7.2029 7.2029 9.1702 9.1702 10.8957 10.8957 11.0296 11.0296 13.6895 13.6895 13.8308 13.8308 15.4634 15.4634 17.5389 17.5389 k = 0.5081 0.2654 0.2173 ( 5191 PWs) bands (ev): -88.2958 -88.2958 -88.2875 -88.2875 -88.2834 -88.2834 -88.2834 -88.2834 3.6753 3.6753 3.9220 3.9220 4.8904 4.8904 5.0902 5.0902 5.2981 5.2981 5.3229 5.3229 5.7431 5.7431 6.5269 6.5269 6.6645 6.6645 7.1113 7.1113 7.1841 7.1841 7.2092 7.2092 9.1734 9.1734 10.8741 10.8741 11.0092 11.0092 13.7041 13.7041 13.8447 13.8447 15.4793 15.4793 17.4090 17.4090 k = 0.5121 0.2538 0.2239 ( 5191 PWs) bands (ev): -88.2958 -88.2958 -88.2876 -88.2876 -88.2834 -88.2834 -88.2834 -88.2834 3.6817 3.6817 3.9207 3.9207 4.8884 4.8884 5.0864 5.0864 5.3054 5.3054 5.3314 5.3314 5.7424 5.7424 6.5242 6.5242 6.6606 6.6606 7.1100 7.1100 7.1794 7.1794 7.2161 7.2161 9.1786 9.1786 10.8366 10.8366 10.9784 10.9784 13.7273 13.7273 13.8670 13.8670 15.5054 15.5054 17.2801 17.2801 k = 0.5161 0.2421 0.2305 ( 5189 PWs) bands (ev): -88.2957 -88.2957 -88.2876 -88.2876 -88.2834 -88.2834 -88.2834 -88.2834 3.6907 3.6907 3.9190 3.9190 4.8855 4.8855 5.0818 5.0818 5.3140 5.3140 5.3441 5.3441 5.7415 5.7415 6.5205 6.5205 6.6552 6.6552 7.1080 7.1080 7.1754 7.1754 7.2232 7.2232 9.1854 9.1854 10.7826 10.7826 10.9406 10.9406 13.7579 13.7579 13.8960 13.8960 15.5410 15.5410 17.1570 17.1570 k = 0.5202 0.2305 0.2370 ( 5187 PWs) bands (ev): -88.2957 -88.2957 -88.2876 -88.2876 -88.2834 -88.2834 -88.2834 -88.2834 3.7023 3.7023 3.9168 3.9168 4.8816 4.8816 5.0769 5.0769 5.3236 5.3236 5.3608 5.3608 5.7405 5.7405 6.5157 6.5157 6.6483 6.6483 7.1053 7.1053 7.1723 7.1723 7.2306 7.2306 9.1935 9.1935 10.7130 10.7130 10.8978 10.8978 13.7945 13.7945 13.9303 13.9303 15.5846 15.5846 17.0426 17.0426 k = 0.5242 0.2188 0.2436 ( 5189 PWs) bands (ev): -88.2956 -88.2956 -88.2877 -88.2877 -88.2834 -88.2834 -88.2834 -88.2834 3.7162 3.7162 3.9144 3.9144 4.8767 4.8767 5.0722 5.0722 5.3342 5.3342 5.3811 5.3811 5.7395 5.7395 6.5099 6.5099 6.6400 6.6400 7.1018 7.1018 7.1703 7.1703 7.2382 7.2382 9.2021 9.2021 10.6303 10.6303 10.8509 10.8509 13.8354 13.8354 13.9679 13.9679 15.6337 15.6337 16.9404 16.9404 k = 0.5282 0.2072 0.2502 ( 5197 PWs) bands (ev): -88.2956 -88.2956 -88.2877 -88.2877 -88.2834 -88.2834 -88.2834 -88.2834 3.7326 3.7326 3.9117 3.9117 4.8707 4.8707 5.0679 5.0679 5.3460 5.3460 5.4043 5.4043 5.7386 5.7386 6.5031 6.5031 6.6302 6.6302 7.0975 7.0975 7.1695 7.1695 7.2461 7.2461 9.2105 9.2105 10.5381 10.5381 10.7999 10.7999 13.8784 13.8784 14.0081 14.0081 15.6844 15.6844 16.8549 16.8549 k = 0.5323 0.1956 0.2568 ( 5195 PWs) bands (ev): -88.2955 -88.2955 -88.2878 -88.2878 -88.2834 -88.2834 -88.2834 -88.2834 3.7512 3.7512 3.9089 3.9089 4.8636 4.8636 5.0644 5.0644 5.3590 5.3590 5.4297 5.4297 5.7379 5.7379 6.4953 6.4953 6.6190 6.6190 7.0925 7.0925 7.1697 7.1697 7.2541 7.2541 9.2174 9.2174 10.4398 10.4398 10.7450 10.7450 13.9204 13.9204 14.0510 14.0510 15.7310 15.7310 16.7924 16.7924 k = 0.5363 0.1839 0.2634 ( 5201 PWs) bands (ev): -88.2955 -88.2955 -88.2878 -88.2878 -88.2834 -88.2834 -88.2834 -88.2834 3.7719 3.7719 3.9062 3.9062 4.8553 4.8553 5.0618 5.0618 5.3733 5.3733 5.4567 5.4567 5.7379 5.7379 6.4866 6.4866 6.6066 6.6066 7.0870 7.0870 7.1711 7.1711 7.2624 7.2624 9.2213 9.2213 10.3392 10.3392 10.6863 10.6863 13.9572 13.9572 14.0984 14.0984 15.7663 15.7663 16.7600 16.7600 k = 0.5403 0.1723 0.2700 ( 5200 PWs) bands (ev): -88.2954 -88.2954 -88.2879 -88.2879 -88.2834 -88.2834 -88.2834 -88.2834 3.7946 3.7946 3.9037 3.9037 4.8461 4.8461 5.0603 5.0603 5.3888 5.3888 5.4846 5.4846 5.7390 5.7390 6.4771 6.4771 6.5929 6.5929 7.0811 7.0811 7.1734 7.1734 7.2707 7.2707 9.2200 9.2200 10.2399 10.2399 10.6242 10.6242 13.9846 13.9846 14.1522 14.1522 15.7840 15.7840 16.7641 16.7641 k = 0.5444 0.1606 0.2766 ( 5198 PWs) bands (ev): -88.2953 -88.2953 -88.2880 -88.2880 -88.2834 -88.2834 -88.2834 -88.2834 3.8189 3.8189 3.9017 3.9017 4.8359 4.8359 5.0600 5.0600 5.4054 5.4054 5.5125 5.5125 5.7419 5.7419 6.4668 6.4668 6.5781 6.5781 7.0751 7.0751 7.1766 7.1766 7.2792 7.2792 9.2108 9.2108 10.1462 10.1462 10.5591 10.5591 14.0004 14.0004 14.2131 14.2131 15.7821 15.7821 16.8065 16.8065 k = 0.5484 0.1490 0.2831 ( 5197 PWs) bands (ev): -88.2952 -88.2952 -88.2881 -88.2881 -88.2834 -88.2834 -88.2834 -88.2834 3.8440 3.8440 3.9010 3.9010 4.8251 4.8251 5.0607 5.0607 5.4231 5.4231 5.5392 5.5392 5.7474 5.7474 6.4559 6.4559 6.5623 6.5623 7.0690 7.0690 7.1808 7.1808 7.2878 7.2878 9.1901 9.1901 10.0624 10.0624 10.4913 10.4913 14.0039 14.0039 14.2800 14.2800 15.7642 15.7642 16.8833 16.8833 k = 0.5524 0.1374 0.2897 ( 5193 PWs) bands (ev): -88.2951 -88.2951 -88.2882 -88.2882 -88.2834 -88.2834 -88.2834 -88.2834 3.8669 3.8669 3.9042 3.9042 4.8138 4.8138 5.0626 5.0626 5.4416 5.4416 5.5633 5.5633 5.7570 5.7570 6.4444 6.4444 6.5457 6.5457 7.0629 7.0629 7.1856 7.1856 7.2965 7.2965 9.1547 9.1547 9.9928 9.9928 10.4213 10.4213 13.9951 13.9951 14.3517 14.3517 15.7370 15.7370 16.9873 16.9873 k = 0.5565 0.1257 0.2963 ( 5190 PWs) bands (ev): -88.2950 -88.2950 -88.2883 -88.2883 -88.2834 -88.2834 -88.2834 -88.2834 3.8802 3.8802 3.9189 3.9189 4.8025 4.8025 5.0655 5.0655 5.4606 5.4606 5.5833 5.5833 5.7718 5.7718 6.4325 6.4325 6.5285 6.5285 7.0571 7.0571 7.1913 7.1913 7.3052 7.3052 9.1022 9.1022 9.9403 9.9403 10.3494 10.3494 13.9741 13.9741 14.4271 14.4271 15.7072 15.7072 17.1109 17.1109 k = 0.5605 0.1141 0.3029 ( 5186 PWs) bands (ev): -88.2949 -88.2949 -88.2884 -88.2884 -88.2834 -88.2834 -88.2834 -88.2834 3.8838 3.8838 3.9449 3.9449 4.7913 4.7913 5.0694 5.0694 5.4797 5.4797 5.5988 5.5988 5.7923 5.7923 6.4204 6.4204 6.5110 6.5110 7.0516 7.0516 7.1976 7.1976 7.3138 7.3138 9.0326 9.0326 9.9056 9.9056 10.2762 10.2762 13.9412 13.9412 14.5054 14.5054 15.6797 15.6797 17.2480 17.2480 k = 0.5645 0.1024 0.3095 ( 5194 PWs) bands (ev): -88.2948 -88.2948 -88.2885 -88.2885 -88.2834 -88.2834 -88.2834 -88.2834 3.8846 3.8846 3.9747 3.9747 4.7808 4.7808 5.0742 5.0742 5.4982 5.4982 5.6103 5.6103 5.8178 5.8178 6.4080 6.4080 6.4938 6.4938 7.0465 7.0465 7.2045 7.2045 7.3223 7.3223 8.9481 8.9481 9.8868 9.8868 10.2019 10.2019 13.8968 13.8968 14.5860 14.5860 15.6580 15.6580 17.3927 17.3927 k = 0.5685 0.0908 0.3161 ( 5194 PWs) bands (ev): -88.2947 -88.2947 -88.2886 -88.2886 -88.2834 -88.2834 -88.2834 -88.2834 3.8849 3.8849 4.0058 4.0058 4.7714 4.7714 5.0799 5.0799 5.5147 5.5147 5.6200 5.6200 5.8468 5.8468 6.3953 6.3953 6.4775 6.4775 7.0419 7.0419 7.2120 7.2120 7.3308 7.3308 8.8524 8.8524 9.8808 9.8808 10.1270 10.1270 13.8415 13.8415 14.6683 14.6683 15.6438 15.6438 17.5258 17.5258 k = 0.5726 0.0792 0.3226 ( 5192 PWs) bands (ev): -88.2946 -88.2946 -88.2887 -88.2887 -88.2834 -88.2834 -88.2834 -88.2834 3.8855 3.8855 4.0369 4.0369 4.7636 4.7636 5.0864 5.0864 5.5277 5.5277 5.6305 5.6305 5.8772 5.8772 6.3821 6.3821 6.4636 6.4636 7.0380 7.0380 7.2201 7.2201 7.3390 7.3390 8.7490 8.7490 9.8841 9.8841 10.0519 10.0519 13.7765 13.7765 14.7520 14.7520 15.6380 15.6380 17.5292 17.5292 k = 0.5766 0.0675 0.3292 ( 5196 PWs) bands (ev): -88.2945 -88.2945 -88.2889 -88.2889 -88.2834 -88.2834 -88.2834 -88.2834 3.8865 3.8865 4.0672 4.0672 4.7580 4.7580 5.0936 5.0936 5.5354 5.5354 5.6442 5.6442 5.9069 5.9069 6.3677 6.3677 6.4536 6.4536 7.0347 7.0347 7.2287 7.2287 7.3470 7.3470 8.6412 8.6412 9.8931 9.8931 9.9778 9.9778 13.7029 13.7029 14.8365 14.8365 15.6406 15.6406 17.5214 17.5214 k = 0.5806 0.0559 0.3358 ( 5202 PWs) bands (ev): -88.2943 -88.2943 -88.2890 -88.2890 -88.2834 -88.2834 -88.2834 -88.2834 3.8880 3.8880 4.0959 4.0959 4.7553 4.7553 5.1015 5.1015 5.5373 5.5373 5.6621 5.6621 5.9339 5.9339 6.3516 6.3516 6.4495 6.4495 7.0324 7.0324 7.2377 7.2377 7.3546 7.3546 8.5314 8.5314 9.8890 9.8890 9.9218 9.9218 13.6220 13.6220 14.9216 14.9216 15.6512 15.6512 17.5152 17.5152 k = 0.5847 0.0442 0.3424 ( 5202 PWs) bands (ev): -88.2942 -88.2942 -88.2891 -88.2891 -88.2834 -88.2834 -88.2834 -88.2834 3.8902 3.8902 4.1221 4.1221 4.7561 4.7561 5.1101 5.1101 5.5342 5.5342 5.6837 5.6837 5.9565 5.9565 6.3334 6.3334 6.4531 6.4531 7.0309 7.0309 7.2472 7.2472 7.3619 7.3619 8.4218 8.4218 9.8227 9.8227 9.9315 9.9315 13.5351 13.5351 15.0069 15.0069 15.6692 15.6692 17.5113 17.5113 k = 0.5887 0.0326 0.3490 ( 5207 PWs) bands (ev): -88.2940 -88.2940 -88.2893 -88.2893 -88.2834 -88.2834 -88.2834 -88.2834 3.8930 3.8930 4.1450 4.1450 4.7609 4.7609 5.1194 5.1194 5.5272 5.5272 5.7079 5.7079 5.9732 5.9732 6.3136 6.3136 6.4651 6.4651 7.0306 7.0306 7.2571 7.2571 7.3685 7.3685 8.3139 8.3139 9.7499 9.7499 9.9504 9.9504 13.4434 13.4434 15.0920 15.0920 15.6938 15.6938 17.5102 17.5102 k = 0.5927 0.0210 0.3556 ( 5201 PWs) bands (ev): -88.2939 -88.2939 -88.2894 -88.2894 -88.2834 -88.2834 -88.2834 -88.2834 3.8964 3.8964 4.1638 4.1638 4.7703 4.7703 5.1293 5.1293 5.5174 5.5174 5.7337 5.7337 5.9832 5.9832 6.2926 6.2926 6.4858 6.4858 7.0314 7.0314 7.2673 7.2673 7.3745 7.3745 8.2092 8.2092 9.6777 9.6777 9.9709 9.9709 13.3482 13.3482 15.1766 15.1766 15.7241 15.7241 17.5120 17.5120 k = 0.5968 0.0093 0.3622 ( 5199 PWs) bands (ev): -88.2938 -88.2938 -88.2896 -88.2896 -88.2834 -88.2834 -88.2834 -88.2834 3.9005 3.9005 4.1782 4.1782 4.7843 4.7843 5.1398 5.1398 5.5053 5.5053 5.7603 5.7603 5.9868 5.9868 6.2710 6.2710 6.5143 6.5143 7.0334 7.0334 7.2779 7.2779 7.3795 7.3795 8.1088 8.1088 9.6069 9.6069 9.9917 9.9917 13.2504 13.2504 15.2603 15.2603 15.7595 15.7595 17.5169 17.5169 k = 0.6008-0.0023 0.3687 ( 5191 PWs) bands (ev): -88.2936 -88.2936 -88.2897 -88.2897 -88.2834 -88.2834 -88.2834 -88.2834 3.9051 3.9051 4.1877 4.1877 4.8026 4.8026 5.1509 5.1509 5.4915 5.4915 5.7867 5.7867 5.9849 5.9849 6.2494 6.2494 6.5496 6.5496 7.0368 7.0368 7.2885 7.2885 7.3833 7.3833 8.0142 8.0142 9.5378 9.5378 10.0124 10.0124 13.1508 13.1508 15.3428 15.3428 15.7991 15.7991 17.5253 17.5253 k = 0.6048-0.0140 0.3753 ( 5189 PWs) bands (ev): -88.2935 -88.2935 -88.2899 -88.2899 -88.2834 -88.2834 -88.2834 -88.2834 3.9102 3.9102 4.1925 4.1925 4.8247 4.8247 5.1627 5.1627 5.4763 5.4763 5.8117 5.8117 5.9791 5.9791 6.2282 6.2282 6.5901 6.5901 7.0417 7.0417 7.2993 7.2993 7.3854 7.3854 7.9268 7.9268 9.4710 9.4710 10.0323 10.0323 13.0503 13.0503 15.4238 15.4238 15.8423 15.8423 17.5374 17.5374 k = 0.6089-0.0256 0.3819 ( 5187 PWs) bands (ev): -88.2933 -88.2933 -88.2900 -88.2900 -88.2834 -88.2834 -88.2834 -88.2834 3.9157 3.9157 4.1928 4.1928 4.8494 4.8494 5.1751 5.1751 5.4604 5.4604 5.8334 5.8334 5.9720 5.9720 6.2082 6.2082 6.6341 6.6341 7.0480 7.0480 7.3099 7.3099 7.3853 7.3853 7.8483 7.8483 9.4068 9.4068 10.0512 10.0512 12.9496 12.9496 15.5028 15.5028 15.8884 15.8884 17.5533 17.5533 k = 0.6129-0.0372 0.3885 ( 5199 PWs) bands (ev): -88.2932 -88.2932 -88.2901 -88.2901 -88.2834 -88.2834 -88.2834 -88.2834 3.9215 3.9215 4.1893 4.1893 4.8754 4.8754 5.1880 5.1880 5.4442 5.4442 5.8489 5.8489 5.9668 5.9668 6.1902 6.1902 6.6799 6.6799 7.0558 7.0558 7.3199 7.3199 7.3821 7.3821 7.7808 7.7808 9.3457 9.3457 10.0687 10.0687 12.8491 12.8491 15.5795 15.5795 15.9368 15.9368 17.5731 17.5731 k = 0.6169-0.0489 0.3951 ( 5193 PWs) bands (ev): -88.2931 -88.2931 -88.2902 -88.2902 -88.2834 -88.2834 -88.2834 -88.2834 3.9273 3.9273 4.1824 4.1824 4.9009 4.9009 5.2013 5.2013 5.4287 5.4287 5.8545 5.8545 5.9668 5.9668 6.1754 6.1754 6.7259 6.7259 7.0652 7.0652 7.3285 7.3285 7.3756 7.3756 7.7269 7.7269 9.2879 9.2879 10.0846 10.0846 12.7495 12.7495 15.6537 15.6537 15.9869 15.9869 17.5971 17.5971 k = 0.6210-0.0605 0.4017 ( 5191 PWs) bands (ev): -88.2930 -88.2930 -88.2904 -88.2904 -88.2834 -88.2834 -88.2834 -88.2834 3.9329 3.9329 4.1729 4.1729 4.9242 4.9242 5.2144 5.2144 5.4154 5.4154 5.8495 5.8495 5.9717 5.9717 6.1655 6.1655 6.7702 6.7702 7.0759 7.0759 7.3330 7.3330 7.3677 7.3677 7.6887 7.6887 9.2340 9.2340 10.0988 10.0988 12.6513 12.6513 15.7249 15.7249 16.0381 16.0381 17.6251 17.6251 k = 0.6250-0.0722 0.4082 ( 5186 PWs) bands (ev): -88.2929 -88.2929 -88.2904 -88.2904 -88.2834 -88.2834 -88.2834 -88.2834 3.9377 3.9377 4.1614 4.1614 4.9434 4.9434 5.2268 5.2268 5.4058 5.4058 5.8373 5.8373 5.9768 5.9768 6.1630 6.1630 6.8105 6.8105 7.0879 7.0879 7.3278 7.3278 7.3648 7.3648 7.6673 7.6673 9.1843 9.1843 10.1111 10.1111 12.5548 12.5548 15.7930 15.7930 16.0900 16.0900 17.6570 17.6570 k = 0.6250-0.0722 0.4082 ( 5186 PWs) bands (ev): -88.2929 -88.2929 -88.2904 -88.2904 -88.2834 -88.2834 -88.2834 -88.2834 3.9377 3.9377 4.1614 4.1614 4.9434 4.9434 5.2268 5.2268 5.4058 5.4058 5.8373 5.8373 5.9768 5.9768 6.1630 6.1630 6.8105 6.8105 7.0879 7.0879 7.3278 7.3278 7.3648 7.3648 7.6673 7.6673 9.1843 9.1843 10.1111 10.1111 12.5548 12.5548 15.7930 15.7930 16.0900 16.0900 17.6570 17.6570 k = 0.6181-0.0682 0.4196 ( 5196 PWs) bands (ev): -88.2929 -88.2929 -88.2904 -88.2904 -88.2834 -88.2834 -88.2834 -88.2834 3.9381 3.9381 4.1608 4.1608 4.9445 4.9445 5.2284 5.2284 5.4057 5.4057 5.8370 5.8370 5.9752 5.9752 6.1616 6.1616 6.8136 6.8136 7.0882 7.0882 7.3274 7.3274 7.3654 7.3654 7.6666 7.6666 9.1643 9.1643 10.1320 10.1320 12.5528 12.5528 15.7901 15.7901 16.0840 16.0840 17.6631 17.6631 k = 0.6111-0.0642 0.4309 ( 5198 PWs) bands (ev): -88.2929 -88.2929 -88.2905 -88.2905 -88.2834 -88.2834 -88.2834 -88.2834 3.9394 3.9394 4.1592 4.1592 4.9475 4.9475 5.2332 5.2332 5.4056 5.4056 5.8360 5.8360 5.9707 5.9707 6.1577 6.1577 6.8231 6.8231 7.0894 7.0894 7.3264 7.3264 7.3672 7.3672 7.6645 7.6645 9.1091 9.1091 10.1902 10.1902 12.5470 12.5470 15.7815 15.7815 16.0663 16.0663 17.6810 17.6810 k = 0.6042-0.0601 0.4423 ( 5197 PWs) bands (ev): -88.2929 -88.2929 -88.2905 -88.2905 -88.2834 -88.2834 -88.2834 -88.2834 3.9414 3.9414 4.1566 4.1566 4.9527 4.9527 5.2411 5.2411 5.4054 5.4054 5.8344 5.8344 5.9634 5.9634 6.1514 6.1514 6.8383 6.8383 7.0913 7.0913 7.3249 7.3249 7.3700 7.3700 7.6611 7.6611 9.0290 9.0290 10.2753 10.2753 12.5373 12.5373 15.7675 15.7675 16.0380 16.0380 17.7098 17.7098 k = 0.5972-0.0561 0.4536 ( 5199 PWs) bands (ev): -88.2928 -88.2928 -88.2905 -88.2905 -88.2834 -88.2834 -88.2834 -88.2834 3.9442 3.9442 4.1530 4.1530 4.9597 4.9597 5.2518 5.2518 5.4054 5.4054 5.8320 5.8320 5.9535 5.9535 6.1430 6.1430 6.8588 6.8588 7.0941 7.0941 7.3231 7.3231 7.3737 7.3737 7.6563 7.6563 8.9333 8.9333 10.3778 10.3778 12.5237 12.5237 15.7489 15.7489 16.0007 16.0007 17.7479 17.7479 k = 0.5903-0.0521 0.4649 ( 5193 PWs) bands (ev): -88.2928 -88.2928 -88.2905 -88.2905 -88.2834 -88.2834 -88.2834 -88.2834 3.9477 3.9477 4.1486 4.1486 4.9687 4.9687 5.2647 5.2647 5.4060 5.4060 5.8288 5.8288 5.9415 5.9415 6.1328 6.1328 6.8838 6.8838 7.0979 7.0979 7.3210 7.3210 7.3783 7.3783 7.6503 7.6503 8.8287 8.8287 10.4909 10.4909 12.5061 12.5061 15.7263 15.7263 15.9562 15.9562 17.7937 17.7937 k = 0.5833-0.0481 0.4763 ( 5191 PWs) bands (ev): -88.2927 -88.2927 -88.2906 -88.2906 -88.2834 -88.2834 -88.2834 -88.2834 3.9520 3.9520 4.1434 4.1434 4.9796 4.9796 5.2790 5.2790 5.4076 5.4076 5.8248 5.8248 5.9278 5.9278 6.1210 6.1210 6.9124 6.9124 7.1029 7.1029 7.3188 7.3188 7.3838 7.3838 7.6429 7.6429 8.7195 8.7195 10.6104 10.6104 12.4844 12.4844 15.7006 15.7006 15.9063 15.9063 17.8457 17.8457 k = 0.5764-0.0441 0.4876 ( 5188 PWs) bands (ev): -88.2927 -88.2927 -88.2906 -88.2906 -88.2834 -88.2834 -88.2834 -88.2834 3.9570 3.9570 4.1375 4.1375 4.9922 4.9922 5.2935 5.2935 5.4115 5.4115 5.8196 5.8196 5.9129 5.9129 6.1078 6.1078 6.9435 6.9435 7.1096 7.1096 7.3167 7.3167 7.3902 7.3902 7.6343 7.6343 8.6083 8.6083 10.7333 10.7333 12.4587 12.4587 15.6728 15.6728 15.8530 15.8530 17.9022 17.9022 k = 0.5694-0.0401 0.4990 ( 5182 PWs) bands (ev): -88.2926 -88.2926 -88.2907 -88.2907 -88.2834 -88.2834 -88.2834 -88.2834 3.9626 3.9626 4.1312 4.1312 5.0065 5.0065 5.3063 5.3063 5.4191 5.4191 5.8131 5.8131 5.8975 5.8975 6.0934 6.0934 6.9759 6.9759 7.1185 7.1185 7.3148 7.3148 7.3975 7.3975 7.6246 7.6246 8.4969 8.4969 10.8577 10.8577 12.4288 12.4288 15.6437 15.6437 15.7979 15.7979 17.9621 17.9621 k = 0.5625-0.0361 0.5103 ( 5192 PWs) bands (ev): -88.2926 -88.2926 -88.2908 -88.2908 -88.2834 -88.2834 -88.2834 -88.2834 3.9689 3.9689 4.1244 4.1244 5.0222 5.0222 5.3156 5.3156 5.4320 5.4320 5.8052 5.8052 5.8821 5.8821 6.0780 6.0780 7.0075 7.0075 7.1311 7.1311 7.3131 7.3131 7.4058 7.4058 7.6138 7.6138 8.3868 8.3868 10.9819 10.9819 12.3947 12.3947 15.6144 15.6144 15.7426 15.7426 18.0241 18.0241 k = 0.5556-0.0321 0.5217 ( 5190 PWs) bands (ev): -88.2925 -88.2925 -88.2908 -88.2908 -88.2834 -88.2834 -88.2834 -88.2834 3.9757 3.9757 4.1172 4.1172 5.0393 5.0393 5.3201 5.3201 5.4511 5.4511 5.7957 5.7957 5.8671 5.8671 6.0618 6.0618 7.0359 7.0359 7.1493 7.1493 7.3118 7.3118 7.4153 7.4153 7.6020 7.6020 8.2788 8.2788 11.1048 11.1048 12.3564 12.3564 15.5855 15.5855 15.6885 15.6885 18.0874 18.0874 k = 0.5486-0.0281 0.5330 ( 5184 PWs) bands (ev): -88.2924 -88.2924 -88.2909 -88.2909 -88.2834 -88.2834 -88.2834 -88.2834 3.9831 3.9831 4.1098 4.1098 5.0575 5.0575 5.3202 5.3202 5.4757 5.4757 5.7846 5.7846 5.8527 5.8527 6.0450 6.0450 7.0586 7.0586 7.1750 7.1750 7.3109 7.3109 7.4261 7.4261 7.5894 7.5894 8.1737 8.1737 11.2252 11.2252 12.3139 12.3139 15.5579 15.5579 15.6371 15.6371 18.1513 18.1513 k = 0.5417-0.0241 0.5443 ( 5184 PWs) bands (ev): -88.2923 -88.2923 -88.2910 -88.2910 -88.2834 -88.2834 -88.2834 -88.2834 3.9909 3.9909 4.1022 4.1022 5.0766 5.0766 5.3169 5.3169 5.5044 5.5044 5.7722 5.7722 5.8389 5.8389 6.0280 6.0280 7.0753 7.0753 7.2079 7.2079 7.3106 7.3106 7.4383 7.4383 7.5761 7.5761 8.0725 8.0725 11.3419 11.3419 12.2674 12.2674 15.5321 15.5321 15.5896 15.5896 18.2152 18.2152 k = 0.5347-0.0200 0.5557 ( 5184 PWs) bands (ev): -88.2922 -88.2922 -88.2911 -88.2911 -88.2834 -88.2834 -88.2834 -88.2834 3.9990 3.9990 4.0945 4.0945 5.0962 5.0962 5.3109 5.3109 5.5359 5.5359 5.7590 5.7590 5.8252 5.8252 6.0112 6.0112 7.0873 7.0873 7.2456 7.2456 7.3112 7.3112 7.4523 7.4523 7.5624 7.5624 7.9759 7.9759 11.4541 11.4541 12.2168 12.2168 15.5085 15.5085 15.5474 15.5474 18.2786 18.2786 k = 0.5278-0.0160 0.5670 ( 5182 PWs) bands (ev): -88.2921 -88.2921 -88.2912 -88.2912 -88.2834 -88.2834 -88.2834 -88.2834 4.0074 4.0074 4.0867 4.0867 5.1158 5.1158 5.3029 5.3029 5.5689 5.5689 5.7458 5.7458 5.8113 5.8113 5.9953 5.9953 7.0961 7.0961 7.2844 7.2844 7.3140 7.3140 7.4679 7.4679 7.5484 7.5484 7.8848 7.8848 11.5605 11.5605 12.1624 12.1624 15.4873 15.4873 15.5119 15.5119 18.3411 18.3411 k = 0.5208-0.0120 0.5784 ( 5195 PWs) bands (ev): -88.2920 -88.2920 -88.2913 -88.2913 -88.2834 -88.2834 -88.2834 -88.2834 4.0160 4.0160 4.0789 4.0789 5.1346 5.1346 5.2937 5.2937 5.6019 5.6019 5.7335 5.7335 5.7967 5.7967 5.9810 5.9810 7.1028 7.1028 7.3070 7.3070 7.3343 7.3343 7.4845 7.4845 7.5352 7.5352 7.8010 7.8010 11.6602 11.6602 12.1043 12.1043 15.4682 15.4682 15.4851 15.4851 18.4023 18.4023 k = 0.5139-0.0080 0.5897 ( 5193 PWs) bands (ev): -88.2919 -88.2919 -88.2914 -88.2914 -88.2834 -88.2834 -88.2834 -88.2834 4.0242 4.0242 4.0713 4.0713 5.1515 5.1515 5.2843 5.2843 5.6321 5.6321 5.7242 5.7242 5.7815 5.7815 5.9692 5.9692 7.1077 7.1077 7.3109 7.3109 7.3723 7.3723 7.4957 7.4957 7.5278 7.5278 7.7276 7.7276 11.7522 11.7522 12.0428 12.0428 15.4518 15.4518 15.4674 15.4674 18.4618 18.4618 k = 0.5069-0.0040 0.6010 ( 5189 PWs) bands (ev): -88.2918 -88.2918 -88.2915 -88.2915 -88.2834 -88.2834 -88.2834 -88.2834 4.0314 4.0314 4.0648 4.0648 5.1641 5.1641 5.2764 5.2764 5.6540 5.6540 5.7216 5.7216 5.7665 5.7665 5.9611 5.9611 7.1108 7.1108 7.3129 7.3129 7.4084 7.4084 7.4877 7.4877 7.5360 7.5360 7.6725 7.6725 11.8354 11.8354 11.9783 11.9783 15.4412 15.4412 15.4570 15.4570 18.5190 18.5190 k = 0.5000 0.0000 0.6124 ( 5180 PWs) bands (ev): -88.2917 -88.2917 -88.2916 -88.2916 -88.2834 -88.2834 -88.2834 -88.2834 4.0347 4.0347 4.0617 4.0617 5.1691 5.1691 5.2731 5.2731 5.6609 5.6609 5.7250 5.7250 5.7578 5.7578 5.9581 5.9581 7.1119 7.1119 7.3138 7.3138 7.4291 7.4291 7.4754 7.4754 7.5421 7.5421 7.6512 7.6512 11.9012 11.9012 11.9188 11.9188 15.4379 15.4379 15.4531 15.4531 18.5641 18.5641 k = 0.5000 0.0000 0.6124 ( 5180 PWs) bands (ev): -88.2917 -88.2917 -88.2916 -88.2916 -88.2834 -88.2834 -88.2834 -88.2834 4.0347 4.0347 4.0617 4.0617 5.1691 5.1691 5.2731 5.2731 5.6609 5.6609 5.7250 5.7250 5.7578 5.7578 5.9581 5.9581 7.1119 7.1119 7.3138 7.3138 7.4291 7.4291 7.4754 7.4754 7.5421 7.5421 7.6512 7.6512 11.9012 11.9012 11.9188 11.9188 15.4379 15.4379 15.4531 15.4531 18.5641 18.5641 k = 0.5000 0.0080 0.6010 ( 5188 PWs) bands (ev): -88.2918 -88.2918 -88.2915 -88.2915 -88.2834 -88.2834 -88.2834 -88.2834 4.0287 4.0287 4.0679 4.0679 5.1590 5.1590 5.2798 5.2798 5.6557 5.6557 5.7153 5.7153 5.7713 5.7713 5.9615 5.9615 7.1099 7.1099 7.3122 7.3122 7.3915 7.3915 7.4919 7.4919 7.5398 7.5398 7.6840 7.6840 11.8127 11.8127 12.0088 12.0088 15.4355 15.4355 15.4540 15.4540 18.4960 18.4960 k = 0.5000 0.0160 0.5897 ( 5194 PWs) bands (ev): -88.2920 -88.2920 -88.2913 -88.2913 -88.2834 -88.2834 -88.2834 -88.2834 4.0172 4.0172 4.0798 4.0798 5.1342 5.1342 5.2943 5.2943 5.6418 5.6418 5.7009 5.7009 5.7956 5.7956 5.9713 5.9713 7.1037 7.1037 7.3060 7.3060 7.3313 7.3313 7.4786 7.4786 7.5757 7.5757 7.7514 7.7514 11.7176 11.7176 12.1082 12.1082 15.4300 15.4300 15.4552 15.4552 18.4143 18.4143 k = 0.5000 0.0241 0.5784 ( 5190 PWs) bands (ev): -88.2922 -88.2922 -88.2911 -88.2911 -88.2834 -88.2834 -88.2834 -88.2834 4.0047 4.0047 4.0928 4.0928 5.1018 5.1018 5.3098 5.3098 5.6234 5.6234 5.6874 5.6874 5.8220 5.8220 5.9867 5.9867 7.0931 7.0931 7.2580 7.2580 7.3056 7.3056 7.4596 7.4596 7.6292 7.6292 7.8301 7.8301 11.6242 11.6242 12.2089 12.2089 15.4230 15.4230 15.4549 15.4549 18.3305 18.3305 k = 0.5000 0.0321 0.5670 ( 5186 PWs) bands (ev): -88.2924 -88.2924 -88.2909 -88.2909 -88.2834 -88.2834 -88.2834 -88.2834 3.9923 3.9923 4.1059 4.1059 5.0652 5.0652 5.3227 5.3227 5.6044 5.6044 5.6742 5.6742 5.8487 5.8487 6.0064 6.0064 7.0762 7.0762 7.1923 7.1923 7.2983 7.2983 7.4448 7.4448 7.6905 7.6905 7.9137 7.9137 11.5327 11.5327 12.3105 12.3105 15.4153 15.4153 15.4521 15.4521 18.2461 18.2461 k = 0.5000 0.0401 0.5557 ( 5194 PWs) bands (ev): -88.2926 -88.2926 -88.2908 -88.2908 -88.2834 -88.2834 -88.2834 -88.2834 3.9803 3.9803 4.1183 4.1183 5.0264 5.0264 5.3313 5.3313 5.5873 5.5873 5.6609 5.6609 5.8747 5.8747 6.0292 6.0292 7.0466 7.0466 7.1374 7.1374 7.2914 7.2914 7.4334 7.4334 7.7585 7.7585 7.9998 7.9998 11.4433 11.4433 12.4129 12.4129 15.4073 15.4073 15.4462 15.4462 18.1625 18.1625 k = 0.5000 0.0481 0.5443 ( 5198 PWs) bands (ev): -88.2927 -88.2927 -88.2906 -88.2906 -88.2834 -88.2834 -88.2834 -88.2834 3.9689 3.9689 4.1297 4.1297 4.9866 4.9866 5.3347 5.3347 5.5734 5.5734 5.6477 5.6477 5.8996 5.8996 6.0540 6.0540 6.9965 6.9965 7.1034 7.1034 7.2847 7.2847 7.4243 7.4243 7.8331 7.8331 8.0874 8.0874 11.3562 11.3562 12.5157 12.5157 15.3993 15.3993 15.4369 15.4369 18.0812 18.0812 k = 0.5000 0.0561 0.5330 ( 5198 PWs) bands (ev): -88.2929 -88.2929 -88.2904 -88.2904 -88.2834 -88.2834 -88.2834 -88.2834 3.9581 3.9581 4.1395 4.1395 4.9470 4.9470 5.3325 5.3325 5.5634 5.5634 5.6349 5.6349 5.9229 5.9229 6.0801 6.0801 6.9342 6.9342 7.0841 7.0841 7.2781 7.2781 7.4165 7.4165 7.9140 7.9140 8.1756 8.1756 11.2717 11.2717 12.6186 12.6186 15.3911 15.3911 15.4240 15.4240 18.0032 18.0032 k = 0.5000 0.0642 0.5217 ( 5192 PWs) bands (ev): -88.2931 -88.2931 -88.2902 -88.2902 -88.2834 -88.2834 -88.2834 -88.2834 3.9481 3.9481 4.1473 4.1473 4.9086 4.9086 5.3250 5.3250 5.5567 5.5567 5.6231 5.6231 5.9441 5.9441 6.1067 6.1067 6.8692 6.8692 7.0709 7.0709 7.2717 7.2717 7.4095 7.4095 8.0008 8.0008 8.2641 8.2641 11.1900 11.1900 12.7215 12.7215 15.3811 15.3811 15.4090 15.4090 17.9297 17.9297 k = 0.5000 0.0722 0.5103 ( 5196 PWs) bands (ev): -88.2932 -88.2932 -88.2901 -88.2901 -88.2834 -88.2834 -88.2834 -88.2834 3.9389 3.9389 4.1524 4.1524 4.8724 4.8724 5.3132 5.3132 5.5521 5.5521 5.6129 5.6129 5.9627 5.9627 6.1336 6.1336 6.8056 6.8056 7.0608 7.0608 7.2655 7.2655 7.4027 7.4027 8.0933 8.0933 8.3524 8.3524 11.1113 11.1113 12.8239 12.8239 15.3640 15.3640 15.3970 15.3970 17.8616 17.8616 k = 0.5000 0.0802 0.4990 ( 5204 PWs) bands (ev): -88.2934 -88.2934 -88.2899 -88.2899 -88.2834 -88.2834 -88.2834 -88.2834 3.9305 3.9305 4.1543 4.1543 4.8394 4.8394 5.2980 5.2980 5.5477 5.5477 5.6055 5.6055 5.9780 5.9780 6.1602 6.1602 6.7454 6.7454 7.0529 7.0529 7.2592 7.2592 7.3961 7.3961 8.1911 8.1911 8.4400 8.4400 11.0359 11.0359 12.9255 12.9255 15.3366 15.3366 15.3912 15.3912 17.7998 17.7998 k = 0.5000 0.0882 0.4876 ( 5200 PWs) bands (ev): -88.2936 -88.2936 -88.2898 -88.2898 -88.2834 -88.2834 -88.2834 -88.2834 3.9229 3.9229 4.1523 4.1523 4.8105 4.8105 5.2808 5.2808 5.5418 5.5418 5.6016 5.6016 5.9890 5.9890 6.1865 6.1865 6.6900 6.6900 7.0468 7.0468 7.2530 7.2530 7.3895 7.3895 8.2937 8.2937 8.5266 8.5266 10.9642 10.9642 13.0257 13.0257 15.3006 15.3006 15.3901 15.3901 17.7448 17.7448 k = 0.5000 0.0962 0.4763 ( 5196 PWs) bands (ev): -88.2937 -88.2937 -88.2896 -88.2896 -88.2834 -88.2834 -88.2834 -88.2834 3.9162 3.9162 4.1460 4.1460 4.7866 4.7866 5.2623 5.2623 5.5336 5.5336 5.6011 5.6011 5.9949 5.9949 6.2123 6.2123 6.6406 6.6406 7.0422 7.0422 7.2468 7.2468 7.3827 7.3827 8.4007 8.4007 8.6118 8.6118 10.8966 10.8966 13.1241 13.1241 15.2575 15.2575 15.3925 15.3925 17.6972 17.6972 k = 0.5000 0.1042 0.4649 ( 5202 PWs) bands (ev): -88.2939 -88.2939 -88.2894 -88.2894 -88.2834 -88.2834 -88.2834 -88.2834 3.9104 3.9104 4.1351 4.1351 4.7681 4.7681 5.2432 5.2432 5.5237 5.5237 5.6032 5.6032 5.9945 5.9945 6.2376 6.2376 6.5985 6.5985 7.0392 7.0392 7.2405 7.2405 7.3758 7.3758 8.5114 8.5114 8.6953 8.6953 10.8336 10.8336 13.2200 13.2200 15.2076 15.2076 15.3984 15.3984 17.6570 17.6570 k = 0.5000 0.1123 0.4536 ( 5202 PWs) bands (ev): -88.2940 -88.2940 -88.2893 -88.2893 -88.2834 -88.2834 -88.2834 -88.2834 3.9054 3.9054 4.1197 4.1197 4.7552 4.7552 5.2240 5.2240 5.5126 5.5126 5.6065 5.6065 5.9872 5.9872 6.2623 6.2623 6.5647 6.5647 7.0374 7.0374 7.2342 7.2342 7.3686 7.3686 8.6249 8.6249 8.7772 8.7772 10.7757 10.7757 13.3127 13.3127 15.1513 15.1513 15.4083 15.4083 17.6244 17.6244 k = 0.5000 0.1203 0.4423 ( 5200 PWs) bands (ev): -88.2942 -88.2942 -88.2891 -88.2891 -88.2834 -88.2834 -88.2834 -88.2834 3.9013 3.9013 4.1000 4.1000 4.7477 4.7477 5.2050 5.2050 5.5009 5.5009 5.6105 5.6105 5.9726 5.9726 6.2863 6.2863 6.5395 6.5395 7.0370 7.0370 7.2279 7.2279 7.3612 7.3612 8.7393 8.7393 8.8581 8.8581 10.7236 10.7236 13.4016 13.4016 15.0892 15.0892 15.4225 15.4225 17.5991 17.5991 k = 0.5000 0.1283 0.4309 ( 5198 PWs) bands (ev): -88.2943 -88.2943 -88.2890 -88.2890 -88.2834 -88.2834 -88.2834 -88.2834 3.8981 3.8981 4.0766 4.0766 4.7451 4.7451 5.1866 5.1866 5.4888 5.4888 5.6143 5.6143 5.9513 5.9513 6.3095 6.3095 6.5228 6.5228 7.0376 7.0376 7.2216 7.2216 7.3536 7.3536 8.8493 8.8493 8.9420 8.9420 10.6779 10.6779 13.4858 13.4858 15.0217 15.0217 15.4415 15.4415 17.5808 17.5808 k = 0.5000 0.1363 0.4196 ( 5196 PWs) bands (ev): -88.2945 -88.2945 -88.2889 -88.2889 -88.2834 -88.2834 -88.2834 -88.2834 3.8957 3.8957 4.0504 4.0504 4.7468 4.7468 5.1689 5.1689 5.4766 5.4766 5.6174 5.6174 5.9244 5.9244 6.3318 6.3318 6.5139 6.5139 7.0393 7.0393 7.2154 7.2154 7.3458 7.3458 8.9438 8.9438 9.0389 9.0389 10.6395 10.6395 13.5644 13.5644 14.9495 14.9495 15.4656 15.4656 17.5687 17.5687 k = 0.5000 0.1443 0.4082 ( 5186 PWs) bands (ev): -88.2946 -88.2946 -88.2887 -88.2887 -88.2834 -88.2834 -88.2834 -88.2834 3.8940 3.8940 4.0220 4.0220 4.7521 4.7521 5.1522 5.1522 5.4644 5.4644 5.6192 5.6192 5.8937 5.8937 6.3530 6.3530 6.5114 6.5114 7.0418 7.0418 7.2093 7.2093 7.3378 7.3378 9.0171 9.0171 9.1531 9.1531 10.6091 10.6091 13.6365 13.6365 14.8733 14.8733 15.4951 15.4951 17.5620 17.5620 k = 0.5000 0.1524 0.3969 ( 5196 PWs) bands (ev): -88.2947 -88.2947 -88.2886 -88.2886 -88.2834 -88.2834 -88.2834 -88.2834 3.8931 3.8931 3.9923 3.9923 4.7601 4.7601 5.1366 5.1366 5.4523 5.4523 5.6191 5.6191 5.8614 5.8614 6.3730 6.3730 6.5141 6.5141 7.0452 7.0452 7.2034 7.2034 7.3296 7.3296 9.0755 9.0755 9.2771 9.2771 10.5875 10.5875 13.7014 13.7014 14.7940 14.7940 15.5299 15.5299 17.5460 17.5460 k = 0.5000 0.1604 0.3856 ( 5194 PWs) bands (ev): -88.2948 -88.2948 -88.2885 -88.2885 -88.2834 -88.2834 -88.2834 -88.2834 3.8929 3.8929 3.9621 3.9621 4.7702 4.7702 5.1222 5.1222 5.4402 5.4402 5.6159 5.6159 5.8296 5.8296 6.3918 6.3918 6.5208 6.5208 7.0492 7.0492 7.1977 7.1977 7.3212 7.3212 9.1229 9.1229 9.4055 9.4055 10.5753 10.5753 13.7582 13.7582 14.7123 14.7123 15.5697 15.5697 17.4040 17.4040 k = 0.5000 0.1684 0.3742 ( 5196 PWs) bands (ev): -88.2949 -88.2949 -88.2884 -88.2884 -88.2834 -88.2834 -88.2834 -88.2834 3.8933 3.8933 3.9318 3.9318 4.7817 4.7817 5.1093 5.1093 5.4282 5.4282 5.6084 5.6084 5.8008 5.8008 6.4092 6.4092 6.5304 6.5304 7.0538 7.0538 7.1923 7.1923 7.3128 7.3128 9.1608 9.1608 9.5361 9.5361 10.5727 10.5727 13.8063 13.8063 14.6292 14.6292 15.6134 15.6134 17.2535 17.2535 k = 0.5000 0.1764 0.3629 ( 5196 PWs) bands (ev): -88.2950 -88.2950 -88.2883 -88.2883 -88.2834 -88.2834 -88.2834 -88.2834 3.8932 3.8932 3.9030 3.9030 4.7942 4.7942 5.0979 5.0979 5.4164 5.4164 5.5952 5.5952 5.7772 5.7772 6.4252 6.4252 6.5421 6.5421 7.0589 7.0589 7.1873 7.1873 7.3043 7.3043 9.1895 9.1895 9.6676 9.6676 10.5799 10.5799 13.8453 13.8453 14.5455 14.5455 15.6589 15.6589 17.1129 17.1129 k = 0.5000 0.1844 0.3515 ( 5200 PWs) bands (ev): -88.2951 -88.2951 -88.2882 -88.2882 -88.2834 -88.2834 -88.2834 -88.2834 3.8721 3.8721 3.8967 3.8967 4.8069 4.8069 5.0882 5.0882 5.4048 5.4048 5.5757 5.5757 5.7600 5.7600 6.4398 6.4398 6.5549 6.5549 7.0644 7.0644 7.1827 7.1827 7.2957 7.2957 9.2097 9.2097 9.7990 9.7990 10.5961 10.5961 13.8749 13.8749 14.4620 14.4620 15.7032 15.7032 16.9873 16.9873 k = 0.5000 0.1925 0.3402 ( 5212 PWs) bands (ev): -88.2952 -88.2952 -88.2881 -88.2881 -88.2834 -88.2834 -88.2834 -88.2834 3.8445 3.8445 3.8985 3.8985 4.8197 4.8197 5.0802 5.0802 5.3933 5.3933 5.5509 5.5509 5.7490 5.7490 6.4532 6.4532 6.5685 6.5685 7.0702 7.0702 7.1787 7.1787 7.2872 7.2872 9.2222 9.2222 9.9296 9.9296 10.6206 10.6206 13.8948 13.8948 14.3799 14.3799 15.7413 15.7413 16.8826 16.8826 k = 0.5000 0.2005 0.3289 ( 5198 PWs) bands (ev): -88.2953 -88.2953 -88.2880 -88.2880 -88.2834 -88.2834 -88.2834 -88.2834 3.8183 3.8183 3.9008 3.9008 4.8319 4.8319 5.0743 5.0743 5.3821 5.3821 5.5227 5.5227 5.7426 5.7426 6.4654 6.4654 6.5821 6.5821 7.0760 7.0760 7.1752 7.1752 7.2787 7.2787 9.2282 9.2282 10.0582 10.0582 10.6520 10.6520 13.9052 13.9052 14.3000 14.3000 15.7670 15.7670 16.8059 16.8059 k = 0.5000 0.2085 0.3175 ( 5194 PWs) bands (ev): -88.2954 -88.2954 -88.2879 -88.2879 -88.2834 -88.2834 -88.2834 -88.2834 3.7937 3.7937 3.9033 3.9033 4.8433 4.8433 5.0703 5.0703 5.3712 5.3712 5.4928 5.4928 5.7394 5.7394 6.4765 6.4765 6.5955 6.5955 7.0819 7.0819 7.1724 7.1724 7.2703 7.2703 9.2288 9.2288 10.1838 10.1838 10.6887 10.6887 13.9061 13.9061 14.2236 14.2236 15.7741 15.7741 16.7643 16.7643 k = 0.5000 0.2165 0.3062 ( 5196 PWs) bands (ev): -88.2955 -88.2955 -88.2878 -88.2878 -88.2834 -88.2834 -88.2834 -88.2834 3.7710 3.7710 3.9061 3.9061 4.8536 4.8536 5.0684 5.0684 5.3605 5.3605 5.4629 5.4629 5.7381 5.7381 6.4865 6.4865 6.6082 6.6082 7.0875 7.0875 7.1705 7.1705 7.2619 7.2619 9.2253 9.2253 10.3051 10.3051 10.7294 10.7294 13.8976 13.8976 14.1518 14.1518 15.7597 15.7597 16.7613 16.7613 k = 0.5000 0.2245 0.2948 ( 5198 PWs) bands (ev): -88.2955 -88.2955 -88.2878 -88.2878 -88.2834 -88.2834 -88.2834 -88.2834 3.7504 3.7504 3.9090 3.9090 4.8626 4.8626 5.0684 5.0684 5.3502 5.3502 5.4340 5.4340 5.7380 5.7380 6.4954 6.4954 6.6200 6.6200 7.0929 7.0929 7.1694 7.1694 7.2538 7.2538 9.2189 9.2189 10.4206 10.4206 10.7723 10.7723 13.8803 13.8803 14.0860 14.0860 15.7265 15.7265 16.7946 16.7946 k = 0.5000 0.2325 0.2835 ( 5190 PWs) bands (ev): -88.2956 -88.2956 -88.2877 -88.2877 -88.2834 -88.2834 -88.2834 -88.2834 3.7319 3.7319 3.9118 3.9118 4.8703 4.8703 5.0701 5.0701 5.3404 5.3404 5.4070 5.4070 5.7386 5.7386 6.5033 6.5033 6.6308 6.6308 7.0977 7.0977 7.1693 7.1693 7.2458 7.2458 9.2109 9.2109 10.5284 10.5284 10.8162 10.8162 13.8551 13.8551 14.0274 14.0274 15.6813 15.6813 16.8578 16.8578 k = 0.5000 0.2406 0.2722 ( 5196 PWs) bands (ev): -88.2957 -88.2957 -88.2877 -88.2877 -88.2834 -88.2834 -88.2834 -88.2834 3.7157 3.7157 3.9144 3.9144 4.8766 4.8766 5.0733 5.0733 5.3309 5.3309 5.3826 5.3826 5.7395 5.7395 6.5101 6.5101 6.6403 6.6403 7.1019 7.1019 7.1703 7.1703 7.2380 7.2380 9.2021 9.2021 10.6265 10.6265 10.8598 10.8598 13.8238 13.8238 13.9765 13.9765 15.6315 15.6315 16.9435 16.9435 k = 0.5000 0.2486 0.2608 ( 5186 PWs) bands (ev): -88.2957 -88.2957 -88.2876 -88.2876 -88.2834 -88.2834 -88.2834 -88.2834 3.7019 3.7019 3.9169 3.9169 4.8816 4.8816 5.0774 5.0774 5.3219 5.3219 5.3614 5.3614 5.7406 5.7406 6.5159 6.5159 6.6486 6.6486 7.1054 7.1054 7.1724 7.1724 7.2304 7.2304 9.1933 9.1933 10.7122 10.7122 10.9022 10.9022 13.7896 13.7896 13.9330 13.9330 15.5831 15.5831 17.0457 17.0457 k = 0.5000 0.2566 0.2495 ( 5188 PWs) bands (ev): -88.2957 -88.2957 -88.2876 -88.2876 -88.2834 -88.2834 -88.2834 -88.2834 3.6905 3.6905 3.9190 3.9190 4.8856 4.8856 5.0820 5.0820 5.3133 5.3133 5.3442 5.3442 5.7416 5.7416 6.5206 6.5206 6.6553 6.6553 7.1081 7.1081 7.1755 7.1755 7.2230 7.2230 9.1853 9.1853 10.7831 10.7831 10.9425 10.9425 13.7560 13.7560 13.8964 13.8964 15.5400 15.5400 17.1597 17.1597 k = 0.5000 0.2646 0.2381 ( 5192 PWs) bands (ev): -88.2958 -88.2958 -88.2876 -88.2876 -88.2834 -88.2834 -88.2834 -88.2834 3.6816 3.6816 3.9208 3.9208 4.8885 4.8885 5.0865 5.0865 5.3051 5.3051 5.3313 5.3313 5.7424 5.7424 6.5243 6.5243 6.6607 6.6607 7.1100 7.1100 7.1794 7.1794 7.2159 7.2159 9.1785 9.1785 10.8372 10.8372 10.9792 10.9792 13.7266 13.7266 13.8667 13.8667 15.5049 15.5049 17.2823 17.2823 k = 0.5000 0.2726 0.2268 ( 5190 PWs) bands (ev): -88.2958 -88.2958 -88.2875 -88.2875 -88.2834 -88.2834 -88.2834 -88.2834 3.6752 3.6752 3.9221 3.9221 4.8905 4.8905 5.0902 5.0902 5.2980 5.2980 5.3228 5.3228 5.7431 5.7431 6.5269 6.5269 6.6645 6.6645 7.1113 7.1113 7.1841 7.1841 7.2092 7.2092 9.1734 9.1734 10.8744 10.8744 11.0095 11.0095 13.7038 13.7038 13.8445 13.8445 15.4791 15.4791 17.4105 17.4105 k = 0.5000 0.2807 0.2155 ( 5190 PWs) bands (ev): -88.2958 -88.2958 -88.2875 -88.2875 -88.2834 -88.2834 -88.2834 -88.2834 3.6714 3.6714 3.9229 3.9229 4.8916 4.8916 5.0927 5.0927 5.2931 5.2931 5.3181 5.3181 5.7435 5.7435 6.5285 6.5285 6.6668 6.6668 7.1121 7.1121 7.1892 7.1892 7.2029 7.2029 9.1702 9.1702 10.8958 10.8958 11.0296 11.0296 13.6895 13.6895 13.8307 13.8307 15.4633 15.4633 17.5396 17.5396 k = 0.5000 0.2887 0.2041 ( 5210 PWs) bands (ev): -88.2958 -88.2958 -88.2875 -88.2875 -88.2834 -88.2834 -88.2834 -88.2834 3.6701 3.6701 3.9231 3.9231 4.8920 4.8920 5.0936 5.0936 5.2914 5.2914 5.3166 5.3166 5.7436 5.7436 6.5291 6.5291 6.6676 6.6676 7.1123 7.1123 7.1927 7.1927 7.1990 7.1990 9.1691 9.1691 10.9028 10.9028 11.0367 11.0367 13.6845 13.6845 13.8260 13.8260 15.4581 15.4581 17.6293 17.6293 k = 0.5000 0.2887 0.2041 ( 5210 PWs) bands (ev): -88.2958 -88.2958 -88.2875 -88.2875 -88.2834 -88.2834 -88.2834 -88.2834 3.6701 3.6701 3.9231 3.9231 4.8920 4.8920 5.0936 5.0936 5.2914 5.2914 5.3166 5.3166 5.7436 5.7436 6.5291 6.5291 6.6676 6.6676 7.1123 7.1123 7.1927 7.1927 7.1990 7.1990 9.1691 9.1691 10.9028 10.9028 11.0367 11.0367 13.6845 13.6845 13.8260 13.8260 15.4581 15.4581 17.6293 17.6293 k = 0.4960 0.2863 0.2173 ( 5191 PWs) bands (ev): -88.2958 -88.2958 -88.2875 -88.2875 -88.2834 -88.2834 -88.2834 -88.2834 3.6714 3.6714 3.9229 3.9229 4.8916 4.8916 5.0927 5.0927 5.2931 5.2931 5.3181 5.3181 5.7435 5.7435 6.5285 6.5285 6.6668 6.6668 7.1120 7.1120 7.1892 7.1892 7.2029 7.2029 9.1702 9.1702 10.8957 10.8957 11.0296 11.0296 13.6895 13.6895 13.8308 13.8308 15.4634 15.4634 17.5389 17.5389 k = 0.4919 0.2840 0.2305 ( 5191 PWs) bands (ev): -88.2958 -88.2958 -88.2875 -88.2875 -88.2834 -88.2834 -88.2834 -88.2834 3.6753 3.6753 3.9220 3.9220 4.8904 4.8904 5.0902 5.0902 5.2981 5.2981 5.3229 5.3229 5.7431 5.7431 6.5269 6.5269 6.6645 6.6645 7.1113 7.1113 7.1841 7.1841 7.2092 7.2092 9.1734 9.1734 10.8741 10.8741 11.0092 11.0092 13.7041 13.7041 13.8447 13.8447 15.4793 15.4793 17.4090 17.4090 k = 0.4879 0.2817 0.2436 ( 5191 PWs) bands (ev): -88.2958 -88.2958 -88.2876 -88.2876 -88.2834 -88.2834 -88.2834 -88.2834 3.6817 3.6817 3.9207 3.9207 4.8884 4.8884 5.0864 5.0864 5.3054 5.3054 5.3314 5.3314 5.7424 5.7424 6.5242 6.5242 6.6606 6.6606 7.1100 7.1100 7.1794 7.1794 7.2161 7.2161 9.1786 9.1786 10.8366 10.8366 10.9784 10.9784 13.7273 13.7273 13.8670 13.8670 15.5054 15.5054 17.2801 17.2801 k = 0.4839 0.2794 0.2568 ( 5189 PWs) bands (ev): -88.2957 -88.2957 -88.2876 -88.2876 -88.2834 -88.2834 -88.2834 -88.2834 3.6907 3.6907 3.9190 3.9190 4.8855 4.8855 5.0818 5.0818 5.3140 5.3140 5.3441 5.3441 5.7415 5.7415 6.5205 6.5205 6.6552 6.6552 7.1080 7.1080 7.1754 7.1754 7.2232 7.2232 9.1854 9.1854 10.7826 10.7826 10.9406 10.9406 13.7579 13.7579 13.8960 13.8960 15.5410 15.5410 17.1570 17.1570 k = 0.4798 0.2770 0.2700 ( 5187 PWs) bands (ev): -88.2957 -88.2957 -88.2876 -88.2876 -88.2834 -88.2834 -88.2834 -88.2834 3.7023 3.7023 3.9168 3.9168 4.8816 4.8816 5.0769 5.0769 5.3236 5.3236 5.3608 5.3608 5.7405 5.7405 6.5157 6.5157 6.6483 6.6483 7.1053 7.1053 7.1723 7.1723 7.2306 7.2306 9.1935 9.1935 10.7130 10.7130 10.8978 10.8978 13.7945 13.7945 13.9302 13.9302 15.5846 15.5846 17.0426 17.0426 k = 0.4758 0.2747 0.2831 ( 5189 PWs) bands (ev): -88.2956 -88.2956 -88.2877 -88.2877 -88.2834 -88.2834 -88.2834 -88.2834 3.7162 3.7162 3.9144 3.9144 4.8767 4.8767 5.0722 5.0722 5.3342 5.3342 5.3811 5.3811 5.7395 5.7395 6.5099 6.5099 6.6400 6.6400 7.1018 7.1018 7.1703 7.1703 7.2382 7.2382 9.2021 9.2021 10.6303 10.6303 10.8508 10.8508 13.8354 13.8354 13.9679 13.9679 15.6337 15.6337 16.9404 16.9404 k = 0.4718 0.2724 0.2963 ( 5197 PWs) bands (ev): -88.2956 -88.2956 -88.2877 -88.2877 -88.2834 -88.2834 -88.2834 -88.2834 3.7326 3.7326 3.9117 3.9117 4.8707 4.8707 5.0679 5.0679 5.3460 5.3460 5.4043 5.4043 5.7386 5.7386 6.5031 6.5031 6.6302 6.6302 7.0975 7.0975 7.1695 7.1695 7.2461 7.2461 9.2105 9.2105 10.5381 10.5381 10.7999 10.7999 13.8784 13.8784 14.0081 14.0081 15.6844 15.6844 16.8549 16.8549 k = 0.4677 0.2701 0.3095 ( 5195 PWs) bands (ev): -88.2955 -88.2955 -88.2878 -88.2878 -88.2834 -88.2834 -88.2834 -88.2834 3.7512 3.7512 3.9089 3.9089 4.8636 4.8636 5.0644 5.0644 5.3590 5.3590 5.4297 5.4297 5.7379 5.7379 6.4953 6.4953 6.6190 6.6190 7.0925 7.0925 7.1697 7.1697 7.2541 7.2541 9.2174 9.2174 10.4398 10.4398 10.7450 10.7450 13.9204 13.9204 14.0510 14.0510 15.7310 15.7310 16.7924 16.7924 k = 0.4637 0.2677 0.3226 ( 5201 PWs) bands (ev): -88.2955 -88.2955 -88.2878 -88.2878 -88.2834 -88.2834 -88.2834 -88.2834 3.7719 3.7719 3.9062 3.9062 4.8553 4.8553 5.0618 5.0618 5.3733 5.3733 5.4567 5.4567 5.7379 5.7379 6.4866 6.4866 6.6066 6.6066 7.0870 7.0870 7.1711 7.1711 7.2624 7.2624 9.2213 9.2213 10.3392 10.3392 10.6863 10.6863 13.9572 13.9572 14.0984 14.0984 15.7663 15.7663 16.7600 16.7600 k = 0.4597 0.2654 0.3358 ( 5200 PWs) bands (ev): -88.2954 -88.2954 -88.2879 -88.2879 -88.2834 -88.2834 -88.2834 -88.2834 3.7946 3.7946 3.9037 3.9037 4.8461 4.8461 5.0603 5.0603 5.3888 5.3888 5.4846 5.4846 5.7390 5.7390 6.4771 6.4771 6.5929 6.5929 7.0811 7.0811 7.1734 7.1734 7.2707 7.2707 9.2200 9.2200 10.2399 10.2399 10.6242 10.6242 13.9846 13.9846 14.1522 14.1522 15.7840 15.7840 16.7641 16.7641 k = 0.4556 0.2631 0.3490 ( 5198 PWs) bands (ev): -88.2953 -88.2953 -88.2880 -88.2880 -88.2834 -88.2834 -88.2834 -88.2834 3.8189 3.8189 3.9017 3.9017 4.8359 4.8359 5.0600 5.0600 5.4054 5.4054 5.5125 5.5125 5.7419 5.7419 6.4668 6.4668 6.5781 6.5781 7.0751 7.0751 7.1766 7.1766 7.2792 7.2792 9.2108 9.2108 10.1462 10.1462 10.5591 10.5591 14.0004 14.0004 14.2131 14.2131 15.7821 15.7821 16.8065 16.8065 k = 0.4516 0.2607 0.3622 ( 5197 PWs) bands (ev): -88.2952 -88.2952 -88.2881 -88.2881 -88.2834 -88.2834 -88.2834 -88.2834 3.8440 3.8440 3.9010 3.9010 4.8251 4.8251 5.0607 5.0607 5.4231 5.4231 5.5392 5.5392 5.7474 5.7474 6.4559 6.4559 6.5623 6.5623 7.0690 7.0690 7.1807 7.1807 7.2878 7.2878 9.1901 9.1901 10.0624 10.0624 10.4913 10.4913 14.0039 14.0039 14.2800 14.2800 15.7642 15.7642 16.8833 16.8833 k = 0.4476 0.2584 0.3753 ( 5193 PWs) bands (ev): -88.2951 -88.2951 -88.2882 -88.2882 -88.2834 -88.2834 -88.2834 -88.2834 3.8669 3.8669 3.9042 3.9042 4.8138 4.8138 5.0626 5.0626 5.4416 5.4416 5.5633 5.5633 5.7570 5.7570 6.4444 6.4444 6.5457 6.5457 7.0629 7.0629 7.1856 7.1856 7.2965 7.2965 9.1547 9.1547 9.9928 9.9928 10.4213 10.4213 13.9951 13.9951 14.3517 14.3517 15.7370 15.7370 16.9873 16.9873 k = 0.4435 0.2561 0.3885 ( 5190 PWs) bands (ev): -88.2950 -88.2950 -88.2883 -88.2883 -88.2834 -88.2834 -88.2834 -88.2834 3.8802 3.8802 3.9189 3.9189 4.8025 4.8025 5.0655 5.0655 5.4606 5.4606 5.5833 5.5833 5.7718 5.7718 6.4325 6.4325 6.5285 6.5285 7.0571 7.0571 7.1913 7.1913 7.3052 7.3052 9.1022 9.1022 9.9403 9.9403 10.3494 10.3494 13.9741 13.9741 14.4271 14.4271 15.7071 15.7071 17.1110 17.1110 k = 0.4395 0.2538 0.4017 ( 5186 PWs) bands (ev): -88.2949 -88.2949 -88.2884 -88.2884 -88.2834 -88.2834 -88.2834 -88.2834 3.8838 3.8838 3.9449 3.9449 4.7913 4.7913 5.0694 5.0694 5.4797 5.4797 5.5988 5.5988 5.7923 5.7923 6.4204 6.4204 6.5110 6.5110 7.0516 7.0516 7.1976 7.1976 7.3138 7.3138 9.0326 9.0326 9.9056 9.9056 10.2762 10.2762 13.9412 13.9412 14.5054 14.5054 15.6797 15.6797 17.2480 17.2480 k = 0.4355 0.2514 0.4148 ( 5194 PWs) bands (ev): -88.2948 -88.2948 -88.2885 -88.2885 -88.2834 -88.2834 -88.2834 -88.2834 3.8846 3.8846 3.9747 3.9747 4.7808 4.7808 5.0742 5.0742 5.4982 5.4982 5.6103 5.6103 5.8178 5.8178 6.4080 6.4080 6.4938 6.4938 7.0465 7.0465 7.2045 7.2045 7.3223 7.3223 8.9481 8.9481 9.8868 9.8868 10.2019 10.2019 13.8968 13.8968 14.5860 14.5860 15.6579 15.6579 17.3927 17.3927 k = 0.4315 0.2491 0.4280 ( 5194 PWs) bands (ev): -88.2947 -88.2947 -88.2886 -88.2886 -88.2834 -88.2834 -88.2834 -88.2834 3.8849 3.8849 4.0058 4.0058 4.7714 4.7714 5.0799 5.0799 5.5147 5.5147 5.6200 5.6200 5.8468 5.8468 6.3953 6.3953 6.4775 6.4775 7.0419 7.0419 7.2120 7.2120 7.3308 7.3308 8.8524 8.8524 9.8808 9.8808 10.1270 10.1270 13.8415 13.8415 14.6683 14.6683 15.6438 15.6438 17.5258 17.5258 k = 0.4274 0.2468 0.4412 ( 5192 PWs) bands (ev): -88.2946 -88.2946 -88.2888 -88.2888 -88.2834 -88.2834 -88.2834 -88.2834 3.8855 3.8855 4.0369 4.0369 4.7636 4.7636 5.0864 5.0864 5.5277 5.5277 5.6305 5.6305 5.8772 5.8772 6.3821 6.3821 6.4636 6.4636 7.0380 7.0380 7.2201 7.2201 7.3390 7.3390 8.7490 8.7490 9.8841 9.8841 10.0519 10.0519 13.7765 13.7765 14.7520 14.7520 15.6380 15.6380 17.5292 17.5292 k = 0.4234 0.2444 0.4543 ( 5196 PWs) bands (ev): -88.2944 -88.2944 -88.2889 -88.2889 -88.2834 -88.2834 -88.2834 -88.2834 3.8865 3.8865 4.0672 4.0672 4.7580 4.7580 5.0936 5.0936 5.5354 5.5354 5.6442 5.6442 5.9069 5.9069 6.3677 6.3677 6.4536 6.4536 7.0347 7.0347 7.2287 7.2287 7.3470 7.3470 8.6412 8.6412 9.8932 9.8932 9.9778 9.9778 13.7029 13.7029 14.8365 14.8365 15.6406 15.6406 17.5214 17.5214 k = 0.4194 0.2421 0.4675 ( 5202 PWs) bands (ev): -88.2943 -88.2943 -88.2890 -88.2890 -88.2834 -88.2834 -88.2834 -88.2834 3.8880 3.8880 4.0959 4.0959 4.7553 4.7553 5.1015 5.1015 5.5373 5.5373 5.6621 5.6621 5.9339 5.9339 6.3516 6.3516 6.4495 6.4495 7.0324 7.0324 7.2377 7.2377 7.3546 7.3546 8.5314 8.5314 9.8890 9.8890 9.9218 9.9218 13.6220 13.6220 14.9216 14.9216 15.6512 15.6512 17.5152 17.5152 k = 0.4153 0.2398 0.4807 ( 5202 PWs) bands (ev): -88.2942 -88.2942 -88.2892 -88.2892 -88.2834 -88.2834 -88.2834 -88.2834 3.8902 3.8902 4.1221 4.1221 4.7561 4.7561 5.1101 5.1101 5.5342 5.5342 5.6837 5.6837 5.9565 5.9565 6.3334 6.3334 6.4531 6.4531 7.0309 7.0309 7.2472 7.2472 7.3619 7.3619 8.4218 8.4218 9.8227 9.8227 9.9315 9.9315 13.5351 13.5351 15.0069 15.0069 15.6692 15.6692 17.5114 17.5114 k = 0.4113 0.2375 0.4938 ( 5207 PWs) bands (ev): -88.2940 -88.2940 -88.2893 -88.2893 -88.2834 -88.2834 -88.2834 -88.2834 3.8930 3.8930 4.1450 4.1450 4.7609 4.7609 5.1194 5.1194 5.5272 5.5272 5.7079 5.7079 5.9732 5.9732 6.3136 6.3136 6.4651 6.4651 7.0306 7.0306 7.2571 7.2571 7.3685 7.3685 8.3139 8.3139 9.7499 9.7499 9.9504 9.9504 13.4434 13.4434 15.0920 15.0920 15.6938 15.6938 17.5102 17.5102 k = 0.4073 0.2351 0.5070 ( 5201 PWs) bands (ev): -88.2939 -88.2939 -88.2894 -88.2894 -88.2834 -88.2834 -88.2834 -88.2834 3.8964 3.8964 4.1638 4.1638 4.7703 4.7703 5.1293 5.1293 5.5174 5.5174 5.7337 5.7337 5.9832 5.9832 6.2926 6.2926 6.4858 6.4858 7.0314 7.0314 7.2673 7.2673 7.3745 7.3745 8.2092 8.2092 9.6777 9.6777 9.9709 9.9709 13.3482 13.3482 15.1766 15.1766 15.7241 15.7241 17.5120 17.5120 k = 0.4032 0.2328 0.5202 ( 5199 PWs) bands (ev): -88.2937 -88.2937 -88.2896 -88.2896 -88.2834 -88.2834 -88.2834 -88.2834 3.9005 3.9005 4.1781 4.1781 4.7843 4.7843 5.1398 5.1398 5.5053 5.5053 5.7603 5.7603 5.9868 5.9868 6.2710 6.2710 6.5143 6.5143 7.0334 7.0334 7.2779 7.2779 7.3795 7.3795 8.1088 8.1088 9.6069 9.6069 9.9917 9.9917 13.2503 13.2503 15.2603 15.2603 15.7595 15.7595 17.5169 17.5169 k = 0.3992 0.2305 0.5334 ( 5191 PWs) bands (ev): -88.2936 -88.2936 -88.2897 -88.2897 -88.2834 -88.2834 -88.2834 -88.2834 3.9051 3.9051 4.1877 4.1877 4.8026 4.8026 5.1509 5.1509 5.4915 5.4915 5.7867 5.7867 5.9849 5.9849 6.2494 6.2494 6.5496 6.5496 7.0368 7.0368 7.2885 7.2885 7.3833 7.3833 8.0142 8.0142 9.5378 9.5378 10.0124 10.0124 13.1508 13.1508 15.3428 15.3428 15.7991 15.7991 17.5253 17.5253 k = 0.3952 0.2281 0.5465 ( 5189 PWs) bands (ev): -88.2935 -88.2935 -88.2899 -88.2899 -88.2834 -88.2834 -88.2834 -88.2834 3.9102 3.9102 4.1925 4.1925 4.8247 4.8247 5.1627 5.1627 5.4764 5.4764 5.8117 5.8117 5.9791 5.9791 6.2282 6.2282 6.5901 6.5901 7.0417 7.0417 7.2993 7.2993 7.3854 7.3854 7.9268 7.9268 9.4710 9.4710 10.0323 10.0323 13.0503 13.0503 15.4238 15.4238 15.8423 15.8423 17.5374 17.5374 k = 0.3911 0.2258 0.5597 ( 5187 PWs) bands (ev): -88.2933 -88.2933 -88.2900 -88.2900 -88.2834 -88.2834 -88.2834 -88.2834 3.9157 3.9157 4.1928 4.1928 4.8494 4.8494 5.1751 5.1751 5.4604 5.4604 5.8334 5.8334 5.9720 5.9720 6.2082 6.2082 6.6341 6.6341 7.0480 7.0480 7.3099 7.3099 7.3853 7.3853 7.8483 7.8483 9.4068 9.4068 10.0512 10.0512 12.9495 12.9495 15.5028 15.5028 15.8884 15.8884 17.5533 17.5533 k = 0.3871 0.2235 0.5729 ( 5199 PWs) bands (ev): -88.2932 -88.2932 -88.2901 -88.2901 -88.2834 -88.2834 -88.2834 -88.2834 3.9215 3.9215 4.1893 4.1893 4.8754 4.8754 5.1880 5.1880 5.4442 5.4442 5.8489 5.8489 5.9668 5.9668 6.1902 6.1902 6.6799 6.6799 7.0558 7.0558 7.3199 7.3199 7.3821 7.3821 7.7808 7.7808 9.3457 9.3457 10.0687 10.0687 12.8491 12.8491 15.5795 15.5795 15.9367 15.9367 17.5731 17.5731 k = 0.3831 0.2212 0.5860 ( 5193 PWs) bands (ev): -88.2931 -88.2931 -88.2903 -88.2903 -88.2834 -88.2834 -88.2834 -88.2834 3.9273 3.9273 4.1824 4.1824 4.9009 4.9009 5.2013 5.2013 5.4288 5.4288 5.8545 5.8545 5.9668 5.9668 6.1754 6.1754 6.7259 6.7259 7.0652 7.0652 7.3285 7.3285 7.3756 7.3756 7.7269 7.7269 9.2879 9.2879 10.0846 10.0846 12.7495 12.7495 15.6537 15.6537 15.9868 15.9868 17.5971 17.5971 k = 0.3790 0.2188 0.5992 ( 5191 PWs) bands (ev): -88.2929 -88.2929 -88.2904 -88.2904 -88.2834 -88.2834 -88.2834 -88.2834 3.9329 3.9329 4.1729 4.1729 4.9242 4.9242 5.2144 5.2144 5.4154 5.4154 5.8495 5.8495 5.9717 5.9717 6.1655 6.1655 6.7702 6.7702 7.0759 7.0759 7.3330 7.3330 7.3677 7.3677 7.6887 7.6887 9.2340 9.2340 10.0988 10.0988 12.6513 12.6513 15.7249 15.7249 16.0381 16.0381 17.6251 17.6251 k = 0.3750 0.2165 0.6124 ( 5186 PWs) bands (ev): -88.2929 -88.2929 -88.2905 -88.2905 -88.2834 -88.2834 -88.2834 -88.2834 3.9377 3.9377 4.1614 4.1614 4.9434 4.9434 5.2268 5.2268 5.4058 5.4058 5.8373 5.8373 5.9768 5.9768 6.1630 6.1630 6.8105 6.8105 7.0879 7.0879 7.3278 7.3278 7.3648 7.3648 7.6673 7.6673 9.1843 9.1843 10.1111 10.1111 12.5548 12.5548 15.7930 15.7930 16.0900 16.0900 17.6570 17.6570 k = 0.6250-0.0722 0.4082 ( 5186 PWs) bands (ev): -88.2929 -88.2929 -88.2904 -88.2904 -88.2834 -88.2834 -88.2834 -88.2834 3.9377 3.9377 4.1614 4.1614 4.9434 4.9434 5.2268 5.2268 5.4058 5.4058 5.8373 5.8373 5.9768 5.9768 6.1630 6.1630 6.8105 6.8105 7.0879 7.0879 7.3278 7.3278 7.3648 7.3648 7.6673 7.6673 9.1843 9.1843 10.1111 10.1111 12.5548 12.5548 15.7930 15.7930 16.0900 16.0900 17.6570 17.6570 k = 0.6181-0.0842 0.4082 ( 5196 PWs) bands (ev): -88.2928 -88.2928 -88.2906 -88.2906 -88.2834 -88.2834 -88.2834 -88.2834 3.9441 3.9441 4.1407 4.1407 4.9716 4.9716 5.2465 5.2465 5.3933 5.3933 5.8097 5.8097 5.9845 5.9845 6.1664 6.1664 6.8757 6.8757 7.1102 7.1102 7.3109 7.3109 7.3683 7.3683 7.6456 7.6456 9.1043 9.1043 10.1296 10.1296 12.3900 12.3900 15.9077 15.9077 16.1809 16.1809 17.7147 17.7147 k = 0.6111-0.0962 0.4082 ( 5196 PWs) bands (ev): -88.2926 -88.2926 -88.2907 -88.2907 -88.2834 -88.2834 -88.2834 -88.2834 3.9488 3.9488 4.1210 4.1210 4.9984 4.9984 5.2658 5.2658 5.3800 5.3800 5.7790 5.7790 5.9948 5.9948 6.1704 6.1704 6.9395 6.9395 7.1368 7.1368 7.2970 7.2970 7.3742 7.3742 7.6262 7.6262 9.0274 9.0274 10.1466 10.1466 12.2250 12.2250 16.0228 16.0228 16.2744 16.2744 17.7710 17.7710 k = 0.6042-0.1083 0.4082 ( 5204 PWs) bands (ev): -88.2925 -88.2925 -88.2908 -88.2908 -88.2834 -88.2834 -88.2834 -88.2834 3.9522 3.9522 4.1022 4.1022 5.0237 5.0237 5.2842 5.2842 5.3664 5.3664 5.7470 5.7470 6.0064 6.0064 6.1746 6.1746 6.9949 6.9949 7.1734 7.1734 7.2865 7.2865 7.3823 7.3823 7.6088 7.6088 8.9539 8.9539 10.1620 10.1620 12.0602 12.0602 16.1381 16.1381 16.3700 16.3700 17.8256 17.8256 k = 0.5972-0.1203 0.4082 ( 5206 PWs) bands (ev): -88.2924 -88.2924 -88.2909 -88.2909 -88.2834 -88.2834 -88.2834 -88.2834 3.9545 3.9545 4.0845 4.0845 5.0473 5.0473 5.3011 5.3011 5.3535 5.3535 5.7148 5.7148 6.0187 6.0187 6.1788 6.1788 7.0351 7.0351 7.2210 7.2210 7.2841 7.2841 7.3926 7.3926 7.5934 7.5934 8.8839 8.8839 10.1759 10.1759 11.8963 11.8963 16.2536 16.2536 16.4674 16.4674 17.8783 17.8783 k = 0.5903-0.1323 0.4082 ( 5206 PWs) bands (ev): -88.2923 -88.2923 -88.2910 -88.2910 -88.2834 -88.2834 -88.2834 -88.2834 3.9562 3.9562 4.0679 4.0679 5.0690 5.0690 5.3130 5.3130 5.3445 5.3445 5.6832 5.6832 6.0314 6.0314 6.1830 6.1830 7.0607 7.0607 7.2459 7.2459 7.3207 7.3207 7.4057 7.4057 7.5805 7.5805 8.8175 8.8175 10.1885 10.1885 11.7336 11.7336 16.3688 16.3688 16.5664 16.5664 17.9289 17.9289 k = 0.5833-0.1443 0.4082 ( 5206 PWs) bands (ev): -88.2922 -88.2922 -88.2911 -88.2911 -88.2834 -88.2834 -88.2834 -88.2834 3.9572 3.9572 4.0523 4.0523 5.0889 5.0889 5.3110 5.3110 5.3485 5.3485 5.6526 5.6526 6.0442 6.0442 6.1869 6.1869 7.0772 7.0772 7.2432 7.2432 7.3847 7.3847 7.4308 7.4308 7.5711 7.5711 8.7549 8.7549 10.1996 10.1996 11.5728 11.5728 16.4837 16.4837 16.6663 16.6663 17.9772 17.9772 k = 0.5764-0.1564 0.4082 ( 5210 PWs) bands (ev): -88.2921 -88.2921 -88.2912 -88.2912 -88.2834 -88.2834 -88.2834 -88.2834 3.9579 3.9579 4.0379 4.0379 5.1069 5.1069 5.2998 5.2998 5.3612 5.3612 5.6234 5.6234 6.0570 6.0570 6.1903 6.1903 7.0889 7.0889 7.2363 7.2363 7.4148 7.4148 7.4918 7.4918 7.5735 7.5735 8.6964 8.6964 10.2096 10.2096 11.4146 11.4146 16.5979 16.5979 16.7666 16.7666 18.0228 18.0228 k = 0.5694-0.1684 0.4082 ( 5210 PWs) bands (ev): -88.2921 -88.2921 -88.2913 -88.2913 -88.2834 -88.2834 -88.2834 -88.2834 3.9584 3.9584 4.0247 4.0247 5.1231 5.1231 5.2867 5.2867 5.3751 5.3751 5.5960 5.5960 6.0698 6.0698 6.1932 6.1932 7.0981 7.0981 7.2287 7.2287 7.4295 7.4295 7.5242 7.5242 7.6269 7.6269 8.6420 8.6420 10.2183 10.2183 11.2596 11.2596 16.7111 16.7111 16.8666 16.8666 18.0656 18.0656 k = 0.5625-0.1804 0.4082 ( 5208 PWs) bands (ev): -88.2920 -88.2920 -88.2913 -88.2913 -88.2834 -88.2834 -88.2834 -88.2834 3.9586 3.9586 4.0126 4.0126 5.1376 5.1376 5.2736 5.2736 5.3885 5.3885 5.5706 5.5706 6.0824 6.0824 6.1955 6.1955 7.1059 7.1059 7.2211 7.2211 7.4414 7.4414 7.5239 7.5239 7.7192 7.7192 8.5920 8.5920 10.2260 10.2260 11.1089 11.1089 16.8228 16.8228 16.9656 16.9656 18.1052 18.1052 k = 0.5556-0.1925 0.4082 ( 5214 PWs) bands (ev): -88.2919 -88.2919 -88.2914 -88.2914 -88.2834 -88.2834 -88.2834 -88.2834 3.9587 3.9587 4.0018 4.0018 5.1504 5.1504 5.2611 5.2611 5.4009 5.4009 5.5473 5.5473 6.0947 6.0947 6.1971 6.1971 7.1130 7.1130 7.2137 7.2137 7.4521 7.4521 7.5188 7.5188 7.8188 7.8188 8.5466 8.5466 10.2326 10.2326 10.9634 10.9634 16.9326 16.9326 17.0624 17.0624 18.1414 18.1414 k = 0.5486-0.2045 0.4082 ( 5202 PWs) bands (ev): -88.2919 -88.2919 -88.2915 -88.2915 -88.2834 -88.2834 -88.2834 -88.2834 3.9588 3.9588 3.9921 3.9921 5.1615 5.1615 5.2495 5.2495 5.4122 5.4122 5.5264 5.5264 6.1068 6.1068 6.1978 6.1978 7.1197 7.1197 7.2065 7.2065 7.4617 7.4617 7.5134 7.5134 7.9191 7.9191 8.5059 8.5059 10.2383 10.2383 10.8247 10.8247 17.0398 17.0398 17.1558 17.1558 18.1740 18.1740 k = 0.5417-0.2165 0.4082 ( 5194 PWs) bands (ev): -88.2918 -88.2918 -88.2915 -88.2915 -88.2834 -88.2834 -88.2834 -88.2834 3.9589 3.9589 3.9838 3.9838 5.1711 5.1711 5.2391 5.2391 5.4221 5.4221 5.5079 5.5079 6.1185 6.1185 6.1976 6.1976 7.1260 7.1260 7.1996 7.1996 7.4702 7.4702 7.5085 7.5085 8.0169 8.0169 8.4702 8.4702 10.2430 10.2430 10.6945 10.6945 17.1434 17.1434 17.2443 17.2443 18.2028 18.2028 k = 0.5347-0.2285 0.4082 ( 5194 PWs) bands (ev): -88.2918 -88.2918 -88.2916 -88.2916 -88.2834 -88.2834 -88.2834 -88.2834 3.9589 3.9589 3.9767 3.9767 5.1793 5.1793 5.2299 5.2299 5.4307 5.4307 5.4921 5.4921 6.1297 6.1297 6.1965 6.1965 7.1323 7.1323 7.1928 7.1928 7.4774 7.4774 7.5043 7.5043 8.1094 8.1094 8.4396 8.4396 10.2470 10.2470 10.5750 10.5750 17.2422 17.2422 17.3259 17.3259 18.2275 18.2275 k = 0.5278-0.2406 0.4082 ( 5190 PWs) bands (ev): -88.2917 -88.2917 -88.2916 -88.2916 -88.2834 -88.2834 -88.2834 -88.2834 3.9589 3.9589 3.9708 3.9708 5.1860 5.1860 5.2220 5.2220 5.4378 5.4378 5.4790 5.4790 6.1403 6.1403 6.1943 6.1943 7.1383 7.1383 7.1863 7.1863 7.4834 7.4834 7.5009 7.5009 8.1935 8.1935 8.4143 8.4143 10.2501 10.2501 10.4691 10.4691 17.3340 17.3340 17.3983 17.3983 18.2480 18.2480 k = 0.5208-0.2526 0.4082 ( 5194 PWs) bands (ev): -88.2917 -88.2917 -88.2916 -88.2916 -88.2834 -88.2834 -88.2834 -88.2834 3.9590 3.9590 3.9662 3.9662 5.1915 5.1915 5.2155 5.2155 5.4434 5.4434 5.4686 5.4686 6.1502 6.1502 6.1911 6.1911 7.1443 7.1443 7.1800 7.1800 7.4881 7.4881 7.4983 7.4983 8.2654 8.2654 8.3945 8.3945 10.2525 10.2525 10.3804 10.3804 17.4158 17.4158 17.4590 17.4590 18.2641 18.2641 k = 0.5139-0.2646 0.4082 ( 5200 PWs) bands (ev): -88.2917 -88.2917 -88.2916 -88.2916 -88.2834 -88.2834 -88.2834 -88.2834 3.9590 3.9590 3.9629 3.9629 5.1960 5.1960 5.2103 5.2103 5.4476 5.4476 5.4610 5.4610 6.1594 6.1594 6.1868 6.1868 7.1502 7.1502 7.1739 7.1739 7.4915 7.4915 7.4964 7.4964 8.3210 8.3210 8.3802 8.3802 10.2542 10.2542 10.3128 10.3128 17.4825 17.4825 17.5050 17.5050 18.2757 18.2757 k = 0.5069-0.2766 0.4082 ( 5218 PWs) bands (ev): -88.2917 -88.2917 -88.2917 -88.2917 -88.2834 -88.2834 -88.2834 -88.2834 3.9592 3.9592 3.9608 3.9608 5.1996 5.1996 5.2062 5.2062 5.4506 5.4506 5.4560 5.4560 6.1677 6.1677 6.1814 6.1814 7.1561 7.1561 7.1679 7.1679 7.4936 7.4936 7.4952 7.4952 8.3565 8.3565 8.3716 8.3716 10.2552 10.2552 10.2702 10.2702 17.5275 17.5275 17.5339 17.5339 18.2827 18.2827 k = 0.5000-0.2887 0.4082 ( 5218 PWs) bands (ev): -88.2917 -88.2917 -88.2917 -88.2917 -88.2834 -88.2834 -88.2834 -88.2834 3.9597 3.9597 3.9597 3.9597 5.2028 5.2028 5.2028 5.2028 5.4529 5.4529 5.4529 5.4529 6.1751 6.1751 6.1751 6.1751 7.1620 7.1620 7.1620 7.1620 7.4945 7.4945 7.4946 7.4946 8.3687 8.3687 8.3687 8.3687 10.2556 10.2556 10.2556 10.2556 17.5437 17.5437 17.5437 17.5437 18.2854 18.2854 Writing output data file Be2Ag.save init_run : 0.35s CPU 0.51s WALL ( 1 calls) electrons : 173.06s CPU 175.36s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.05s CPU 0.06s WALL ( 1 calls) Called by electrons: c_bands : 173.06s CPU 175.35s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.01s WALL ( 1 calls) newd : 0.06s CPU 0.13s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.04s CPU 0.05s WALL ( 334 calls) cegterg : 153.46s CPU 155.25s WALL ( 440 calls) Called by sum_band: Called by *egterg: h_psi : 105.46s CPU 107.00s WALL ( 7592 calls) s_psi : 3.79s CPU 3.83s WALL ( 7592 calls) g_psi : 0.24s CPU 0.25s WALL ( 6818 calls) cdiaghg : 45.15s CPU 45.04s WALL ( 7152 calls) cegterg:over : 5.76s CPU 5.66s WALL ( 6818 calls) cegterg:upda : 5.28s CPU 5.64s WALL ( 6818 calls) cegterg:last : 2.17s CPU 2.38s WALL ( 1109 calls) cdiaghg:chol : 2.47s CPU 2.60s WALL ( 7152 calls) cdiaghg:inve : 1.68s CPU 1.67s WALL ( 7152 calls) cdiaghg:para : 2.36s CPU 2.55s WALL ( 14304 calls) Called by h_psi: h_psi:vloc : 95.87s CPU 97.38s WALL ( 7592 calls) h_psi:vnl : 9.37s CPU 9.38s WALL ( 7592 calls) add_vuspsi : 4.52s CPU 4.54s WALL ( 7592 calls) General routines calbec : 4.83s CPU 4.82s WALL ( 7592 calls) fft : 0.01s CPU 0.02s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 85.87s CPU 87.44s WALL ( 703952 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.19s CPU 0.26s WALL ( 668 calls) Parallel routines fft_scatter : 26.89s CPU 26.87s WALL ( 703975 calls) PWSCF : 3m 8.86s CPU 3m22.91s WALL This run was terminated on: 18:22:13 24Dec2016 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=