Program PWSCF v.5.4.0 starts on 12Feb2017 at 2:35:32 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 & OpenMP), running on 72 processor cores Number of MPI processes: 36 Threads/MPI process: 2 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: ./YNiBi.save/ file Bi.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5D 5D renormalized file Ni.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized file Y.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4S 4P renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per band group 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 64 25 7 2034 518 81 Max 67 26 8 2036 532 86 Sum 2335 931 271 73265 18883 2975 bravais-lattice index = 14 lattice parameter (alat) = 8.5666 a.u. unit-cell volume = 444.5431 (a.u.)^3 number of atoms/cell = 3 number of atomic types = 3 number of electrons = 36.00 number of Kohn-Sham states= 44 kinetic-energy cutoff = 46.0000 Ry charge density cutoff = 457.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.566622 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 Bi read from file: /users/gautes/Pseudo/Bi.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: 2a6cbf750f457e6adc9554330ec86bb0 Pseudo is Ultrasoft + core correction, Zval = 15.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1283 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Ni read from file: /users/gautes/Pseudo/Ni.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 9d95a5a85785a32f0d1fefdc4874c578 Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1195 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Y read from file: /users/gautes/Pseudo/Y.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 25a826a599bbcba7ebf619f9598d90b1 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 1223 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 Bi 15.00 208.98040 Bi( 1.00) Ni 10.00 58.69340 Ni( 1.00) Y 11.00 88.90590 Y( 1.00) 6 Sym. Ops. (no inversion) found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 120 deg rotation - cryst. axis [0,0,1] cryst. s( 2) = ( -1 1 0 ) ( -1 0 0 ) ( -1 0 1 ) cart. s( 2) = ( -0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 3 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 3) = ( 0 -1 0 ) ( 1 -1 0 ) ( 0 -1 1 ) cart. s( 3) = ( -0.5000000 0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 4 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( -1 0 0 ) ( -1 1 0 ) ( -1 0 1 ) cart. s( 4) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 5 inv. 180 deg rotation - cryst. axis [0,1,0] cryst. s( 5) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s( 5) = ( 0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 6 inv. 180 deg rotation - cryst. axis [1,1,0] cryst. s( 6) = ( 1 -1 0 ) ( 0 -1 0 ) ( 0 -1 1 ) cart. s( 6) = ( 0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group C_3v (3m) there are 6 classes and 3 irreducible representations the character table: E -E 2C3 -2C3 3s_v -3s_v G_4 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 G_6 1.00 -1.00 -1.00 1.00 0.00 0.00 imaginary part E -E 2C3 -2C3 3s_v -3s_v G_4 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 G_6 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 2 3 120 deg rotation - cryst. axis [0,0,1] -2C3 -2 -3 120 deg rotation - cryst. axis [0,0,1] E 3s_v 4 5 -6 inv. 180 deg rotation - cart. axis [1,0,0] 3s_v 6 -4 -5 inv. 180 deg rotation - cryst. axis [1,1,0] Cartesian axes number of k points= 331 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030211 k( 2) = ( 0.0100000 -0.0057735 0.0081650), wk = 0.0030211 k( 3) = ( 0.0200000 -0.0115470 0.0163299), wk = 0.0030211 k( 4) = ( 0.0300000 -0.0173205 0.0244949), wk = 0.0030211 k( 5) = ( 0.0400000 -0.0230940 0.0326599), wk = 0.0030211 k( 6) = ( 0.0500000 -0.0288675 0.0408248), wk = 0.0030211 k( 7) = ( 0.0600000 -0.0346410 0.0489898), wk = 0.0030211 k( 8) = ( 0.0700000 -0.0404145 0.0571548), wk = 0.0030211 k( 9) = ( 0.0800000 -0.0461880 0.0653197), wk = 0.0030211 k( 10) = ( 0.0900000 -0.0519615 0.0734847), wk = 0.0030211 k( 11) = ( 0.1000000 -0.0577350 0.0816497), wk = 0.0030211 k( 12) = ( 0.1100000 -0.0635085 0.0898146), wk = 0.0030211 k( 13) = ( 0.1200000 -0.0692820 0.0979796), wk = 0.0030211 k( 14) = ( 0.1300000 -0.0750555 0.1061446), wk = 0.0030211 k( 15) = ( 0.1400000 -0.0808290 0.1143095), wk = 0.0030211 k( 16) = ( 0.1500000 -0.0866025 0.1224745), wk = 0.0030211 k( 17) = ( 0.1600000 -0.0923760 0.1306395), wk = 0.0030211 k( 18) = ( 0.1700000 -0.0981495 0.1388044), wk = 0.0030211 k( 19) = ( 0.1800000 -0.1039230 0.1469694), wk = 0.0030211 k( 20) = ( 0.1900000 -0.1096966 0.1551344), wk = 0.0030211 k( 21) = ( 0.2000000 -0.1154701 0.1632993), wk = 0.0030211 k( 22) = ( 0.2100000 -0.1212436 0.1714643), wk = 0.0030211 k( 23) = ( 0.2200000 -0.1270171 0.1796292), wk = 0.0030211 k( 24) = ( 0.2300000 -0.1327906 0.1877942), wk = 0.0030211 k( 25) = ( 0.2400000 -0.1385641 0.1959592), wk = 0.0030211 k( 26) = ( 0.2500000 -0.1443376 0.2041241), wk = 0.0030211 k( 27) = ( 0.2600000 -0.1501111 0.2122891), wk = 0.0030211 k( 28) = ( 0.2700000 -0.1558846 0.2204541), wk = 0.0030211 k( 29) = ( 0.2800000 -0.1616581 0.2286190), wk = 0.0030211 k( 30) = ( 0.2900000 -0.1674316 0.2367840), wk = 0.0030211 k( 31) = ( 0.3000000 -0.1732051 0.2449490), wk = 0.0030211 k( 32) = ( 0.3100000 -0.1789786 0.2531139), wk = 0.0030211 k( 33) = ( 0.3200000 -0.1847521 0.2612789), wk = 0.0030211 k( 34) = ( 0.3300000 -0.1905256 0.2694439), wk = 0.0030211 k( 35) = ( 0.3400000 -0.1962991 0.2776088), wk = 0.0030211 k( 36) = ( 0.3500000 -0.2020726 0.2857738), wk = 0.0030211 k( 37) = ( 0.3600000 -0.2078461 0.2939388), wk = 0.0030211 k( 38) = ( 0.3700000 -0.2136196 0.3021037), wk = 0.0030211 k( 39) = ( 0.3800000 -0.2193931 0.3102687), wk = 0.0030211 k( 40) = ( 0.3900000 -0.2251666 0.3184337), wk = 0.0030211 k( 41) = ( 0.4000000 -0.2309401 0.3265986), wk = 0.0030211 k( 42) = ( 0.4100000 -0.2367136 0.3347636), wk = 0.0030211 k( 43) = ( 0.4200000 -0.2424871 0.3429286), wk = 0.0030211 k( 44) = ( 0.4300000 -0.2482606 0.3510935), wk = 0.0030211 k( 45) = ( 0.4400000 -0.2540341 0.3592585), wk = 0.0030211 k( 46) = ( 0.4500000 -0.2598076 0.3674235), wk = 0.0030211 k( 47) = ( 0.4600000 -0.2655811 0.3755884), wk = 0.0030211 k( 48) = ( 0.4700000 -0.2713546 0.3837534), wk = 0.0030211 k( 49) = ( 0.4800000 -0.2771281 0.3919184), wk = 0.0030211 k( 50) = ( 0.4900000 -0.2829016 0.4000833), wk = 0.0030211 k( 51) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0030211 k( 52) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0030211 k( 53) = ( 0.5000000 -0.2771281 0.4164133), wk = 0.0030211 k( 54) = ( 0.5000000 -0.2655811 0.4245782), wk = 0.0030211 k( 55) = ( 0.5000000 -0.2540341 0.4327432), wk = 0.0030211 k( 56) = ( 0.5000000 -0.2424871 0.4409082), wk = 0.0030211 k( 57) = ( 0.5000000 -0.2309401 0.4490731), wk = 0.0030211 k( 58) = ( 0.5000000 -0.2193931 0.4572381), wk = 0.0030211 k( 59) = ( 0.5000000 -0.2078461 0.4654031), wk = 0.0030211 k( 60) = ( 0.5000000 -0.1962991 0.4735680), wk = 0.0030211 k( 61) = ( 0.5000000 -0.1847521 0.4817330), wk = 0.0030211 k( 62) = ( 0.5000000 -0.1732051 0.4898979), wk = 0.0030211 k( 63) = ( 0.5000000 -0.1616581 0.4980629), wk = 0.0030211 k( 64) = ( 0.5000000 -0.1501111 0.5062279), wk = 0.0030211 k( 65) = ( 0.5000000 -0.1385641 0.5143928), wk = 0.0030211 k( 66) = ( 0.5000000 -0.1270171 0.5225578), wk = 0.0030211 k( 67) = ( 0.5000000 -0.1154701 0.5307228), wk = 0.0030211 k( 68) = ( 0.5000000 -0.1039230 0.5388877), wk = 0.0030211 k( 69) = ( 0.5000000 -0.0923760 0.5470527), wk = 0.0030211 k( 70) = ( 0.5000000 -0.0808290 0.5552177), wk = 0.0030211 k( 71) = ( 0.5000000 -0.0692820 0.5633826), wk = 0.0030211 k( 72) = ( 0.5000000 -0.0577350 0.5715476), wk = 0.0030211 k( 73) = ( 0.5000000 -0.0461880 0.5797126), wk = 0.0030211 k( 74) = ( 0.5000000 -0.0346410 0.5878775), wk = 0.0030211 k( 75) = ( 0.5000000 -0.0230940 0.5960425), wk = 0.0030211 k( 76) = ( 0.5000000 -0.0115470 0.6042075), wk = 0.0030211 k( 77) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0030211 k( 78) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0030211 k( 79) = ( 0.4930556 0.0120281 0.6123724), wk = 0.0030211 k( 80) = ( 0.4861111 0.0240563 0.6123724), wk = 0.0030211 k( 81) = ( 0.4791667 0.0360844 0.6123724), wk = 0.0030211 k( 82) = ( 0.4722222 0.0481125 0.6123724), wk = 0.0030211 k( 83) = ( 0.4652778 0.0601406 0.6123724), wk = 0.0030211 k( 84) = ( 0.4583333 0.0721688 0.6123724), wk = 0.0030211 k( 85) = ( 0.4513889 0.0841969 0.6123724), wk = 0.0030211 k( 86) = ( 0.4444444 0.0962251 0.6123724), wk = 0.0030211 k( 87) = ( 0.4375000 0.1082532 0.6123724), wk = 0.0030211 k( 88) = ( 0.4305556 0.1202813 0.6123724), wk = 0.0030211 k( 89) = ( 0.4236111 0.1323094 0.6123724), wk = 0.0030211 k( 90) = ( 0.4166667 0.1443376 0.6123724), wk = 0.0030211 k( 91) = ( 0.4097222 0.1563657 0.6123724), wk = 0.0030211 k( 92) = ( 0.4027778 0.1683938 0.6123724), wk = 0.0030211 k( 93) = ( 0.3958333 0.1804220 0.6123724), wk = 0.0030211 k( 94) = ( 0.3888889 0.1924501 0.6123724), wk = 0.0030211 k( 95) = ( 0.3819444 0.2044782 0.6123724), wk = 0.0030211 k( 96) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0030211 k( 97) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0030211 k( 98) = ( 0.3677885 0.2123428 0.6005960), wk = 0.0030211 k( 99) = ( 0.3605769 0.2081792 0.5888197), wk = 0.0030211 k( 100) = ( 0.3533654 0.2040156 0.5770433), wk = 0.0030211 k( 101) = ( 0.3461538 0.1998520 0.5652669), wk = 0.0030211 k( 102) = ( 0.3389423 0.1956884 0.5534905), wk = 0.0030211 k( 103) = ( 0.3317308 0.1915248 0.5417141), wk = 0.0030211 k( 104) = ( 0.3245192 0.1873613 0.5299377), wk = 0.0030211 k( 105) = ( 0.3173077 0.1831977 0.5181613), wk = 0.0030211 k( 106) = ( 0.3100962 0.1790341 0.5063849), wk = 0.0030211 k( 107) = ( 0.3028846 0.1748705 0.4946085), wk = 0.0030211 k( 108) = ( 0.2956731 0.1707069 0.4828321), wk = 0.0030211 k( 109) = ( 0.2884615 0.1665433 0.4710557), wk = 0.0030211 k( 110) = ( 0.2812500 0.1623798 0.4592793), wk = 0.0030211 k( 111) = ( 0.2740385 0.1582162 0.4475029), wk = 0.0030211 k( 112) = ( 0.2668269 0.1540526 0.4357265), wk = 0.0030211 k( 113) = ( 0.2596154 0.1498890 0.4239502), wk = 0.0030211 k( 114) = ( 0.2524038 0.1457254 0.4121737), wk = 0.0030211 k( 115) = ( 0.2451923 0.1415618 0.4003974), wk = 0.0030211 k( 116) = ( 0.2379808 0.1373983 0.3886210), wk = 0.0030211 k( 117) = ( 0.2307692 0.1332347 0.3768446), wk = 0.0030211 k( 118) = ( 0.2235577 0.1290711 0.3650682), wk = 0.0030211 k( 119) = ( 0.2163461 0.1249075 0.3532918), wk = 0.0030211 k( 120) = ( 0.2091346 0.1207439 0.3415154), wk = 0.0030211 k( 121) = ( 0.2019231 0.1165803 0.3297390), wk = 0.0030211 k( 122) = ( 0.1947115 0.1124168 0.3179626), wk = 0.0030211 k( 123) = ( 0.1875000 0.1082532 0.3061862), wk = 0.0030211 k( 124) = ( 0.1802885 0.1040896 0.2944098), wk = 0.0030211 k( 125) = ( 0.1730769 0.0999260 0.2826334), wk = 0.0030211 k( 126) = ( 0.1658654 0.0957624 0.2708570), wk = 0.0030211 k( 127) = ( 0.1586539 0.0915988 0.2590806), wk = 0.0030211 k( 128) = ( 0.1514423 0.0874353 0.2473043), wk = 0.0030211 k( 129) = ( 0.1442308 0.0832717 0.2355279), wk = 0.0030211 k( 130) = ( 0.1370192 0.0791081 0.2237515), wk = 0.0030211 k( 131) = ( 0.1298077 0.0749445 0.2119751), wk = 0.0030211 k( 132) = ( 0.1225962 0.0707809 0.2001987), wk = 0.0030211 k( 133) = ( 0.1153846 0.0666173 0.1884223), wk = 0.0030211 k( 134) = ( 0.1081731 0.0624538 0.1766459), wk = 0.0030211 k( 135) = ( 0.1009615 0.0582902 0.1648695), wk = 0.0030211 k( 136) = ( 0.0937500 0.0541266 0.1530931), wk = 0.0030211 k( 137) = ( 0.0865385 0.0499630 0.1413167), wk = 0.0030211 k( 138) = ( 0.0793269 0.0457994 0.1295403), wk = 0.0030211 k( 139) = ( 0.0721154 0.0416358 0.1177639), wk = 0.0030211 k( 140) = ( 0.0649038 0.0374723 0.1059875), wk = 0.0030211 k( 141) = ( 0.0576923 0.0333087 0.0942111), wk = 0.0030211 k( 142) = ( 0.0504808 0.0291451 0.0824348), wk = 0.0030211 k( 143) = ( 0.0432692 0.0249815 0.0706584), wk = 0.0030211 k( 144) = ( 0.0360577 0.0208179 0.0588820), wk = 0.0030211 k( 145) = ( 0.0288462 0.0166543 0.0471056), wk = 0.0030211 k( 146) = ( 0.0216346 0.0124908 0.0353292), wk = 0.0030211 k( 147) = ( 0.0144231 0.0083272 0.0235528), wk = 0.0030211 k( 148) = ( 0.0072115 0.0041636 0.0117764), wk = 0.0030211 k( 149) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030211 k( 150) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030211 k( 151) = ( 0.0116279 0.0067134 0.0047471), wk = 0.0030211 k( 152) = ( 0.0232558 0.0134267 0.0094941), wk = 0.0030211 k( 153) = ( 0.0348837 0.0201401 0.0142412), wk = 0.0030211 k( 154) = ( 0.0465116 0.0268535 0.0189883), wk = 0.0030211 k( 155) = ( 0.0581395 0.0335669 0.0237354), wk = 0.0030211 k( 156) = ( 0.0697674 0.0402803 0.0284824), wk = 0.0030211 k( 157) = ( 0.0813954 0.0469936 0.0332295), wk = 0.0030211 k( 158) = ( 0.0930233 0.0537070 0.0379766), wk = 0.0030211 k( 159) = ( 0.1046512 0.0604204 0.0427237), wk = 0.0030211 k( 160) = ( 0.1162791 0.0671338 0.0474707), wk = 0.0030211 k( 161) = ( 0.1279070 0.0738471 0.0522178), wk = 0.0030211 k( 162) = ( 0.1395349 0.0805605 0.0569649), wk = 0.0030211 k( 163) = ( 0.1511628 0.0872739 0.0617120), wk = 0.0030211 k( 164) = ( 0.1627907 0.0939873 0.0664590), wk = 0.0030211 k( 165) = ( 0.1744186 0.1007006 0.0712061), wk = 0.0030211 k( 166) = ( 0.1860465 0.1074140 0.0759532), wk = 0.0030211 k( 167) = ( 0.1976744 0.1141274 0.0807002), wk = 0.0030211 k( 168) = ( 0.2093023 0.1208408 0.0854473), wk = 0.0030211 k( 169) = ( 0.2209302 0.1275541 0.0901944), wk = 0.0030211 k( 170) = ( 0.2325581 0.1342675 0.0949415), wk = 0.0030211 k( 171) = ( 0.2441860 0.1409809 0.0996885), wk = 0.0030211 k( 172) = ( 0.2558140 0.1476943 0.1044356), wk = 0.0030211 k( 173) = ( 0.2674419 0.1544076 0.1091827), wk = 0.0030211 k( 174) = ( 0.2790698 0.1611210 0.1139298), wk = 0.0030211 k( 175) = ( 0.2906977 0.1678344 0.1186768), wk = 0.0030211 k( 176) = ( 0.3023256 0.1745478 0.1234239), wk = 0.0030211 k( 177) = ( 0.3139535 0.1812611 0.1281710), wk = 0.0030211 k( 178) = ( 0.3255814 0.1879745 0.1329180), wk = 0.0030211 k( 179) = ( 0.3372093 0.1946879 0.1376651), wk = 0.0030211 k( 180) = ( 0.3488372 0.2014013 0.1424122), wk = 0.0030211 k( 181) = ( 0.3604651 0.2081146 0.1471593), wk = 0.0030211 k( 182) = ( 0.3720930 0.2148280 0.1519063), wk = 0.0030211 k( 183) = ( 0.3837209 0.2215414 0.1566534), wk = 0.0030211 k( 184) = ( 0.3953488 0.2282548 0.1614005), wk = 0.0030211 k( 185) = ( 0.4069767 0.2349681 0.1661476), wk = 0.0030211 k( 186) = ( 0.4186047 0.2416815 0.1708946), wk = 0.0030211 k( 187) = ( 0.4302326 0.2483949 0.1756417), wk = 0.0030211 k( 188) = ( 0.4418605 0.2551083 0.1803888), wk = 0.0030211 k( 189) = ( 0.4534884 0.2618216 0.1851359), wk = 0.0030211 k( 190) = ( 0.4651163 0.2685350 0.1898829), wk = 0.0030211 k( 191) = ( 0.4767442 0.2752484 0.1946300), wk = 0.0030211 k( 192) = ( 0.4883721 0.2819618 0.1993771), wk = 0.0030211 k( 193) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0030211 k( 194) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0030211 k( 195) = ( 0.5040323 0.2770350 0.2107088), wk = 0.0030211 k( 196) = ( 0.5080645 0.2653949 0.2172934), wk = 0.0030211 k( 197) = ( 0.5120968 0.2537548 0.2238781), wk = 0.0030211 k( 198) = ( 0.5161290 0.2421146 0.2304627), wk = 0.0030211 k( 199) = ( 0.5201613 0.2304745 0.2370474), wk = 0.0030211 k( 200) = ( 0.5241936 0.2188344 0.2436320), wk = 0.0030211 k( 201) = ( 0.5282258 0.2071943 0.2502167), wk = 0.0030211 k( 202) = ( 0.5322581 0.1955541 0.2568013), wk = 0.0030211 k( 203) = ( 0.5362903 0.1839140 0.2633860), wk = 0.0030211 k( 204) = ( 0.5403226 0.1722739 0.2699706), wk = 0.0030211 k( 205) = ( 0.5443548 0.1606337 0.2765553), wk = 0.0030211 k( 206) = ( 0.5483871 0.1489936 0.2831399), wk = 0.0030211 k( 207) = ( 0.5524193 0.1373535 0.2897246), wk = 0.0030211 k( 208) = ( 0.5564516 0.1257134 0.2963092), wk = 0.0030211 k( 209) = ( 0.5604839 0.1140732 0.3028939), wk = 0.0030211 k( 210) = ( 0.5645161 0.1024331 0.3094785), wk = 0.0030211 k( 211) = ( 0.5685484 0.0907930 0.3160632), wk = 0.0030211 k( 212) = ( 0.5725807 0.0791529 0.3226478), wk = 0.0030211 k( 213) = ( 0.5766129 0.0675127 0.3292325), wk = 0.0030211 k( 214) = ( 0.5806452 0.0558726 0.3358171), wk = 0.0030211 k( 215) = ( 0.5846774 0.0442325 0.3424018), wk = 0.0030211 k( 216) = ( 0.5887097 0.0325924 0.3489864), wk = 0.0030211 k( 217) = ( 0.5927419 0.0209522 0.3555711), wk = 0.0030211 k( 218) = ( 0.5967742 0.0093121 0.3621557), wk = 0.0030211 k( 219) = ( 0.6008064 -0.0023280 0.3687404), wk = 0.0030211 k( 220) = ( 0.6048387 -0.0139682 0.3753250), wk = 0.0030211 k( 221) = ( 0.6088710 -0.0256083 0.3819097), wk = 0.0030211 k( 222) = ( 0.6129032 -0.0372484 0.3884943), wk = 0.0030211 k( 223) = ( 0.6169355 -0.0488885 0.3950790), wk = 0.0030211 k( 224) = ( 0.6209677 -0.0605287 0.4016636), wk = 0.0030211 k( 225) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0030211 k( 226) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0030211 k( 227) = ( 0.6180556 -0.0681594 0.4195885), wk = 0.0030211 k( 228) = ( 0.6111111 -0.0641500 0.4309288), wk = 0.0030211 k( 229) = ( 0.6041667 -0.0601407 0.4422690), wk = 0.0030211 k( 230) = ( 0.5972222 -0.0561313 0.4536092), wk = 0.0030211 k( 231) = ( 0.5902778 -0.0521219 0.4649494), wk = 0.0030211 k( 232) = ( 0.5833333 -0.0481125 0.4762897), wk = 0.0030211 k( 233) = ( 0.5763889 -0.0441031 0.4876299), wk = 0.0030211 k( 234) = ( 0.5694444 -0.0400938 0.4989701), wk = 0.0030211 k( 235) = ( 0.5625000 -0.0360844 0.5103104), wk = 0.0030211 k( 236) = ( 0.5555556 -0.0320750 0.5216506), wk = 0.0030211 k( 237) = ( 0.5486111 -0.0280656 0.5329908), wk = 0.0030211 k( 238) = ( 0.5416667 -0.0240563 0.5443310), wk = 0.0030211 k( 239) = ( 0.5347222 -0.0200469 0.5556713), wk = 0.0030211 k( 240) = ( 0.5277778 -0.0160375 0.5670115), wk = 0.0030211 k( 241) = ( 0.5208333 -0.0120281 0.5783518), wk = 0.0030211 k( 242) = ( 0.5138889 -0.0080188 0.5896920), wk = 0.0030211 k( 243) = ( 0.5069444 -0.0040094 0.6010322), wk = 0.0030211 k( 244) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0030211 k( 245) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0030211 k( 246) = ( 0.5000000 0.0082479 0.6007082), wk = 0.0030211 k( 247) = ( 0.5000000 0.0164957 0.5890440), wk = 0.0030211 k( 248) = ( 0.5000000 0.0247436 0.5773797), wk = 0.0030211 k( 249) = ( 0.5000000 0.0329914 0.5657155), wk = 0.0030211 k( 250) = ( 0.5000000 0.0412393 0.5540512), wk = 0.0030211 k( 251) = ( 0.5000000 0.0494872 0.5423870), wk = 0.0030211 k( 252) = ( 0.5000000 0.0577350 0.5307228), wk = 0.0030211 k( 253) = ( 0.5000000 0.0659829 0.5190585), wk = 0.0030211 k( 254) = ( 0.5000000 0.0742307 0.5073943), wk = 0.0030211 k( 255) = ( 0.5000000 0.0824786 0.4957301), wk = 0.0030211 k( 256) = ( 0.5000000 0.0907265 0.4840658), wk = 0.0030211 k( 257) = ( 0.5000000 0.0989743 0.4724016), wk = 0.0030211 k( 258) = ( 0.5000000 0.1072222 0.4607374), wk = 0.0030211 k( 259) = ( 0.5000000 0.1154701 0.4490731), wk = 0.0030211 k( 260) = ( 0.5000000 0.1237179 0.4374089), wk = 0.0030211 k( 261) = ( 0.5000000 0.1319658 0.4257447), wk = 0.0030211 k( 262) = ( 0.5000000 0.1402136 0.4140804), wk = 0.0030211 k( 263) = ( 0.5000000 0.1484615 0.4024162), wk = 0.0030211 k( 264) = ( 0.5000000 0.1567094 0.3907519), wk = 0.0030211 k( 265) = ( 0.5000000 0.1649572 0.3790877), wk = 0.0030211 k( 266) = ( 0.5000000 0.1732051 0.3674235), wk = 0.0030211 k( 267) = ( 0.5000000 0.1814529 0.3557592), wk = 0.0030211 k( 268) = ( 0.5000000 0.1897008 0.3440950), wk = 0.0030211 k( 269) = ( 0.5000000 0.1979487 0.3324308), wk = 0.0030211 k( 270) = ( 0.5000000 0.2061965 0.3207665), wk = 0.0030211 k( 271) = ( 0.5000000 0.2144444 0.3091023), wk = 0.0030211 k( 272) = ( 0.5000000 0.2226922 0.2974380), wk = 0.0030211 k( 273) = ( 0.5000000 0.2309401 0.2857738), wk = 0.0030211 k( 274) = ( 0.5000000 0.2391880 0.2741096), wk = 0.0030211 k( 275) = ( 0.5000000 0.2474358 0.2624453), wk = 0.0030211 k( 276) = ( 0.5000000 0.2556837 0.2507811), wk = 0.0030211 k( 277) = ( 0.5000000 0.2639316 0.2391169), wk = 0.0030211 k( 278) = ( 0.5000000 0.2721794 0.2274526), wk = 0.0030211 k( 279) = ( 0.5000000 0.2804273 0.2157884), wk = 0.0030211 k( 280) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0030211 k( 281) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0030211 k( 282) = ( 0.4959677 0.2863471 0.2172935), wk = 0.0030211 k( 283) = ( 0.4919355 0.2840191 0.2304627), wk = 0.0030211 k( 284) = ( 0.4879032 0.2816911 0.2436320), wk = 0.0030211 k( 285) = ( 0.4838710 0.2793630 0.2568013), wk = 0.0030211 k( 286) = ( 0.4798387 0.2770350 0.2699706), wk = 0.0030211 k( 287) = ( 0.4758064 0.2747070 0.2831399), wk = 0.0030211 k( 288) = ( 0.4717742 0.2723790 0.2963092), wk = 0.0030211 k( 289) = ( 0.4677419 0.2700509 0.3094785), wk = 0.0030211 k( 290) = ( 0.4637097 0.2677229 0.3226478), wk = 0.0030211 k( 291) = ( 0.4596774 0.2653949 0.3358171), wk = 0.0030211 k( 292) = ( 0.4556452 0.2630669 0.3489864), wk = 0.0030211 k( 293) = ( 0.4516129 0.2607388 0.3621557), wk = 0.0030211 k( 294) = ( 0.4475807 0.2584108 0.3753250), wk = 0.0030211 k( 295) = ( 0.4435484 0.2560828 0.3884943), wk = 0.0030211 k( 296) = ( 0.4395161 0.2537548 0.4016636), wk = 0.0030211 k( 297) = ( 0.4354839 0.2514267 0.4148329), wk = 0.0030211 k( 298) = ( 0.4314516 0.2490987 0.4280022), wk = 0.0030211 k( 299) = ( 0.4274193 0.2467707 0.4411715), wk = 0.0030211 k( 300) = ( 0.4233871 0.2444427 0.4543408), wk = 0.0030211 k( 301) = ( 0.4193548 0.2421146 0.4675101), wk = 0.0030211 k( 302) = ( 0.4153226 0.2397866 0.4806794), wk = 0.0030211 k( 303) = ( 0.4112903 0.2374586 0.4938487), wk = 0.0030211 k( 304) = ( 0.4072581 0.2351306 0.5070180), wk = 0.0030211 k( 305) = ( 0.4032258 0.2328025 0.5201873), wk = 0.0030211 k( 306) = ( 0.3991936 0.2304745 0.5333566), wk = 0.0030211 k( 307) = ( 0.3951613 0.2281465 0.5465259), wk = 0.0030211 k( 308) = ( 0.3911290 0.2258185 0.5596952), wk = 0.0030211 k( 309) = ( 0.3870968 0.2234904 0.5728645), wk = 0.0030211 k( 310) = ( 0.3830645 0.2211624 0.5860338), wk = 0.0030211 k( 311) = ( 0.3790323 0.2188344 0.5992031), wk = 0.0030211 k( 312) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0030211 k( 313) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0030211 k( 314) = ( 0.6180556 -0.0841969 0.4082483), wk = 0.0030211 k( 315) = ( 0.6111111 -0.0962250 0.4082483), wk = 0.0030211 k( 316) = ( 0.6041667 -0.1082532 0.4082483), wk = 0.0030211 k( 317) = ( 0.5972222 -0.1202813 0.4082483), wk = 0.0030211 k( 318) = ( 0.5902778 -0.1323094 0.4082483), wk = 0.0030211 k( 319) = ( 0.5833333 -0.1443376 0.4082483), wk = 0.0030211 k( 320) = ( 0.5763889 -0.1563657 0.4082483), wk = 0.0030211 k( 321) = ( 0.5694444 -0.1683938 0.4082483), wk = 0.0030211 k( 322) = ( 0.5625000 -0.1804220 0.4082483), wk = 0.0030211 k( 323) = ( 0.5555556 -0.1924501 0.4082483), wk = 0.0030211 k( 324) = ( 0.5486111 -0.2044782 0.4082483), wk = 0.0030211 k( 325) = ( 0.5416667 -0.2165064 0.4082483), wk = 0.0030211 k( 326) = ( 0.5347222 -0.2285345 0.4082483), wk = 0.0030211 k( 327) = ( 0.5277778 -0.2405626 0.4082483), wk = 0.0030211 k( 328) = ( 0.5208333 -0.2525907 0.4082483), wk = 0.0030211 k( 329) = ( 0.5138889 -0.2646189 0.4082483), wk = 0.0030211 k( 330) = ( 0.5069444 -0.2766470 0.4082483), wk = 0.0030211 k( 331) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0030211 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030211 k( 2) = ( 0.0100000 -0.0000000 0.0100000), wk = 0.0030211 k( 3) = ( 0.0200000 -0.0000000 0.0200000), wk = 0.0030211 k( 4) = ( 0.0300000 -0.0000000 0.0300000), wk = 0.0030211 k( 5) = ( 0.0400000 -0.0000000 0.0400000), wk = 0.0030211 k( 6) = ( 0.0500000 -0.0000000 0.0500000), wk = 0.0030211 k( 7) = ( 0.0600000 -0.0000000 0.0600000), wk = 0.0030211 k( 8) = ( 0.0700000 -0.0000000 0.0700000), wk = 0.0030211 k( 9) = ( 0.0800000 -0.0000000 0.0800000), wk = 0.0030211 k( 10) = ( 0.0900000 -0.0000000 0.0900000), wk = 0.0030211 k( 11) = ( 0.1000000 -0.0000000 0.1000000), wk = 0.0030211 k( 12) = ( 0.1100000 -0.0000000 0.1100000), wk = 0.0030211 k( 13) = ( 0.1200000 -0.0000000 0.1200000), wk = 0.0030211 k( 14) = ( 0.1300000 -0.0000000 0.1300000), wk = 0.0030211 k( 15) = ( 0.1400000 -0.0000000 0.1400000), wk = 0.0030211 k( 16) = ( 0.1500000 -0.0000000 0.1500000), wk = 0.0030211 k( 17) = ( 0.1600000 -0.0000000 0.1600000), wk = 0.0030211 k( 18) = ( 0.1700000 -0.0000000 0.1700000), wk = 0.0030211 k( 19) = ( 0.1800000 -0.0000000 0.1800000), wk = 0.0030211 k( 20) = ( 0.1900000 -0.0000000 0.1900000), wk = 0.0030211 k( 21) = ( 0.2000000 -0.0000000 0.2000000), wk = 0.0030211 k( 22) = ( 0.2100000 -0.0000000 0.2100000), wk = 0.0030211 k( 23) = ( 0.2200000 -0.0000000 0.2200000), wk = 0.0030211 k( 24) = ( 0.2300000 -0.0000000 0.2300000), wk = 0.0030211 k( 25) = ( 0.2400000 -0.0000000 0.2400000), wk = 0.0030211 k( 26) = ( 0.2500000 0.0000000 0.2500000), wk = 0.0030211 k( 27) = ( 0.2600000 -0.0000000 0.2600000), wk = 0.0030211 k( 28) = ( 0.2700000 0.0000000 0.2700000), wk = 0.0030211 k( 29) = ( 0.2800000 -0.0000000 0.2800000), wk = 0.0030211 k( 30) = ( 0.2900000 0.0000000 0.2900000), wk = 0.0030211 k( 31) = ( 0.3000000 -0.0000000 0.3000000), wk = 0.0030211 k( 32) = ( 0.3100000 0.0000000 0.3100000), wk = 0.0030211 k( 33) = ( 0.3200000 -0.0000000 0.3200000), wk = 0.0030211 k( 34) = ( 0.3300000 -0.0000000 0.3300000), wk = 0.0030211 k( 35) = ( 0.3400000 -0.0000000 0.3400000), wk = 0.0030211 k( 36) = ( 0.3500000 -0.0000000 0.3500000), wk = 0.0030211 k( 37) = ( 0.3600000 -0.0000000 0.3600000), wk = 0.0030211 k( 38) = ( 0.3700000 -0.0000000 0.3700000), wk = 0.0030211 k( 39) = ( 0.3800000 -0.0000000 0.3800000), wk = 0.0030211 k( 40) = ( 0.3900000 -0.0000000 0.3900000), wk = 0.0030211 k( 41) = ( 0.4000000 -0.0000000 0.4000000), wk = 0.0030211 k( 42) = ( 0.4100000 -0.0000000 0.4100000), wk = 0.0030211 k( 43) = ( 0.4200000 -0.0000000 0.4200000), wk = 0.0030211 k( 44) = ( 0.4300000 -0.0000000 0.4300000), wk = 0.0030211 k( 45) = ( 0.4400000 -0.0000000 0.4400000), wk = 0.0030211 k( 46) = ( 0.4500000 -0.0000000 0.4500000), wk = 0.0030211 k( 47) = ( 0.4600000 -0.0000000 0.4600000), wk = 0.0030211 k( 48) = ( 0.4700000 -0.0000000 0.4700000), wk = 0.0030211 k( 49) = ( 0.4800000 -0.0000000 0.4800000), wk = 0.0030211 k( 50) = ( 0.4900000 -0.0000000 0.4900000), wk = 0.0030211 k( 51) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0030211 k( 52) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0030211 k( 53) = ( 0.5000000 0.0100000 0.5100000), wk = 0.0030211 k( 54) = ( 0.5000000 0.0200000 0.5200000), wk = 0.0030211 k( 55) = ( 0.5000000 0.0300000 0.5300000), wk = 0.0030211 k( 56) = ( 0.5000000 0.0400000 0.5400000), wk = 0.0030211 k( 57) = ( 0.5000000 0.0500000 0.5500000), wk = 0.0030211 k( 58) = ( 0.5000000 0.0600000 0.5600000), wk = 0.0030211 k( 59) = ( 0.5000000 0.0700000 0.5700000), wk = 0.0030211 k( 60) = ( 0.5000000 0.0800000 0.5800000), wk = 0.0030211 k( 61) = ( 0.5000000 0.0900000 0.5900000), wk = 0.0030211 k( 62) = ( 0.5000000 0.1000000 0.6000000), wk = 0.0030211 k( 63) = ( 0.5000000 0.1100000 0.6100000), wk = 0.0030211 k( 64) = ( 0.5000000 0.1200000 0.6200000), wk = 0.0030211 k( 65) = ( 0.5000000 0.1300000 0.6300000), wk = 0.0030211 k( 66) = ( 0.5000000 0.1400000 0.6400000), wk = 0.0030211 k( 67) = ( 0.5000000 0.1500000 0.6500000), wk = 0.0030211 k( 68) = ( 0.5000000 0.1600000 0.6600000), wk = 0.0030211 k( 69) = ( 0.5000000 0.1700000 0.6700000), wk = 0.0030211 k( 70) = ( 0.5000000 0.1800000 0.6800000), wk = 0.0030211 k( 71) = ( 0.5000000 0.1900000 0.6900000), wk = 0.0030211 k( 72) = ( 0.5000000 0.2000000 0.7000000), wk = 0.0030211 k( 73) = ( 0.5000000 0.2100000 0.7100000), wk = 0.0030211 k( 74) = ( 0.5000000 0.2200000 0.7200000), wk = 0.0030211 k( 75) = ( 0.5000000 0.2300000 0.7300000), wk = 0.0030211 k( 76) = ( 0.5000000 0.2400000 0.7400000), wk = 0.0030211 k( 77) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0030211 k( 78) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0030211 k( 79) = ( 0.4930556 0.2569444 0.7500000), wk = 0.0030211 k( 80) = ( 0.4861111 0.2638889 0.7500000), wk = 0.0030211 k( 81) = ( 0.4791667 0.2708333 0.7500000), wk = 0.0030211 k( 82) = ( 0.4722222 0.2777778 0.7500000), wk = 0.0030211 k( 83) = ( 0.4652778 0.2847222 0.7500000), wk = 0.0030211 k( 84) = ( 0.4583333 0.2916667 0.7500000), wk = 0.0030211 k( 85) = ( 0.4513889 0.2986111 0.7500000), wk = 0.0030211 k( 86) = ( 0.4444444 0.3055556 0.7500000), wk = 0.0030211 k( 87) = ( 0.4375000 0.3125000 0.7500000), wk = 0.0030211 k( 88) = ( 0.4305556 0.3194444 0.7500000), wk = 0.0030211 k( 89) = ( 0.4236111 0.3263889 0.7500000), wk = 0.0030211 k( 90) = ( 0.4166667 0.3333333 0.7500000), wk = 0.0030211 k( 91) = ( 0.4097222 0.3402778 0.7500000), wk = 0.0030211 k( 92) = ( 0.4027778 0.3472222 0.7500000), wk = 0.0030211 k( 93) = ( 0.3958333 0.3541667 0.7500000), wk = 0.0030211 k( 94) = ( 0.3888889 0.3611111 0.7500000), wk = 0.0030211 k( 95) = ( 0.3819444 0.3680556 0.7500000), wk = 0.0030211 k( 96) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0030211 k( 97) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0030211 k( 98) = ( 0.3677885 0.3677885 0.7355769), wk = 0.0030211 k( 99) = ( 0.3605769 0.3605769 0.7211538), wk = 0.0030211 k( 100) = ( 0.3533654 0.3533654 0.7067308), wk = 0.0030211 k( 101) = ( 0.3461538 0.3461538 0.6923077), wk = 0.0030211 k( 102) = ( 0.3389423 0.3389423 0.6778846), wk = 0.0030211 k( 103) = ( 0.3317308 0.3317308 0.6634615), wk = 0.0030211 k( 104) = ( 0.3245192 0.3245192 0.6490385), wk = 0.0030211 k( 105) = ( 0.3173077 0.3173077 0.6346154), wk = 0.0030211 k( 106) = ( 0.3100962 0.3100962 0.6201923), wk = 0.0030211 k( 107) = ( 0.3028846 0.3028846 0.6057692), wk = 0.0030211 k( 108) = ( 0.2956731 0.2956731 0.5913462), wk = 0.0030211 k( 109) = ( 0.2884615 0.2884615 0.5769231), wk = 0.0030211 k( 110) = ( 0.2812500 0.2812500 0.5625000), wk = 0.0030211 k( 111) = ( 0.2740385 0.2740385 0.5480769), wk = 0.0030211 k( 112) = ( 0.2668269 0.2668269 0.5336538), wk = 0.0030211 k( 113) = ( 0.2596154 0.2596154 0.5192308), wk = 0.0030211 k( 114) = ( 0.2524038 0.2524038 0.5048077), wk = 0.0030211 k( 115) = ( 0.2451923 0.2451923 0.4903846), wk = 0.0030211 k( 116) = ( 0.2379808 0.2379808 0.4759615), wk = 0.0030211 k( 117) = ( 0.2307692 0.2307692 0.4615385), wk = 0.0030211 k( 118) = ( 0.2235577 0.2235577 0.4471154), wk = 0.0030211 k( 119) = ( 0.2163461 0.2163461 0.4326923), wk = 0.0030211 k( 120) = ( 0.2091346 0.2091346 0.4182692), wk = 0.0030211 k( 121) = ( 0.2019231 0.2019231 0.4038461), wk = 0.0030211 k( 122) = ( 0.1947115 0.1947115 0.3894231), wk = 0.0030211 k( 123) = ( 0.1875000 0.1875000 0.3750000), wk = 0.0030211 k( 124) = ( 0.1802885 0.1802885 0.3605769), wk = 0.0030211 k( 125) = ( 0.1730769 0.1730769 0.3461538), wk = 0.0030211 k( 126) = ( 0.1658654 0.1658654 0.3317308), wk = 0.0030211 k( 127) = ( 0.1586539 0.1586539 0.3173077), wk = 0.0030211 k( 128) = ( 0.1514423 0.1514423 0.3028846), wk = 0.0030211 k( 129) = ( 0.1442308 0.1442308 0.2884615), wk = 0.0030211 k( 130) = ( 0.1370192 0.1370192 0.2740385), wk = 0.0030211 k( 131) = ( 0.1298077 0.1298077 0.2596154), wk = 0.0030211 k( 132) = ( 0.1225962 0.1225961 0.2451923), wk = 0.0030211 k( 133) = ( 0.1153846 0.1153846 0.2307692), wk = 0.0030211 k( 134) = ( 0.1081731 0.1081731 0.2163461), wk = 0.0030211 k( 135) = ( 0.1009615 0.1009615 0.2019231), wk = 0.0030211 k( 136) = ( 0.0937500 0.0937500 0.1875000), wk = 0.0030211 k( 137) = ( 0.0865385 0.0865385 0.1730769), wk = 0.0030211 k( 138) = ( 0.0793269 0.0793269 0.1586539), wk = 0.0030211 k( 139) = ( 0.0721154 0.0721154 0.1442308), wk = 0.0030211 k( 140) = ( 0.0649038 0.0649038 0.1298077), wk = 0.0030211 k( 141) = ( 0.0576923 0.0576923 0.1153846), wk = 0.0030211 k( 142) = ( 0.0504808 0.0504808 0.1009615), wk = 0.0030211 k( 143) = ( 0.0432692 0.0432692 0.0865385), wk = 0.0030211 k( 144) = ( 0.0360577 0.0360577 0.0721154), wk = 0.0030211 k( 145) = ( 0.0288462 0.0288461 0.0576923), wk = 0.0030211 k( 146) = ( 0.0216346 0.0216346 0.0432692), wk = 0.0030211 k( 147) = ( 0.0144231 0.0144231 0.0288462), wk = 0.0030211 k( 148) = ( 0.0072115 0.0072115 0.0144231), wk = 0.0030211 k( 149) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030211 k( 150) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030211 k( 151) = ( 0.0116279 0.0116279 0.0116279), wk = 0.0030211 k( 152) = ( 0.0232558 0.0232558 0.0232558), wk = 0.0030211 k( 153) = ( 0.0348837 0.0348837 0.0348837), wk = 0.0030211 k( 154) = ( 0.0465116 0.0465116 0.0465116), wk = 0.0030211 k( 155) = ( 0.0581395 0.0581395 0.0581395), wk = 0.0030211 k( 156) = ( 0.0697674 0.0697674 0.0697674), wk = 0.0030211 k( 157) = ( 0.0813954 0.0813953 0.0813953), wk = 0.0030211 k( 158) = ( 0.0930233 0.0930233 0.0930233), wk = 0.0030211 k( 159) = ( 0.1046512 0.1046512 0.1046512), wk = 0.0030211 k( 160) = ( 0.1162791 0.1162791 0.1162791), wk = 0.0030211 k( 161) = ( 0.1279070 0.1279070 0.1279070), wk = 0.0030211 k( 162) = ( 0.1395349 0.1395349 0.1395349), wk = 0.0030211 k( 163) = ( 0.1511628 0.1511628 0.1511628), wk = 0.0030211 k( 164) = ( 0.1627907 0.1627907 0.1627907), wk = 0.0030211 k( 165) = ( 0.1744186 0.1744186 0.1744186), wk = 0.0030211 k( 166) = ( 0.1860465 0.1860465 0.1860465), wk = 0.0030211 k( 167) = ( 0.1976744 0.1976744 0.1976744), wk = 0.0030211 k( 168) = ( 0.2093023 0.2093023 0.2093023), wk = 0.0030211 k( 169) = ( 0.2209302 0.2209302 0.2209302), wk = 0.0030211 k( 170) = ( 0.2325581 0.2325581 0.2325581), wk = 0.0030211 k( 171) = ( 0.2441860 0.2441860 0.2441860), wk = 0.0030211 k( 172) = ( 0.2558140 0.2558140 0.2558139), wk = 0.0030211 k( 173) = ( 0.2674419 0.2674419 0.2674419), wk = 0.0030211 k( 174) = ( 0.2790698 0.2790698 0.2790698), wk = 0.0030211 k( 175) = ( 0.2906977 0.2906977 0.2906977), wk = 0.0030211 k( 176) = ( 0.3023256 0.3023256 0.3023256), wk = 0.0030211 k( 177) = ( 0.3139535 0.3139535 0.3139535), wk = 0.0030211 k( 178) = ( 0.3255814 0.3255814 0.3255814), wk = 0.0030211 k( 179) = ( 0.3372093 0.3372093 0.3372093), wk = 0.0030211 k( 180) = ( 0.3488372 0.3488372 0.3488372), wk = 0.0030211 k( 181) = ( 0.3604651 0.3604651 0.3604651), wk = 0.0030211 k( 182) = ( 0.3720930 0.3720930 0.3720930), wk = 0.0030211 k( 183) = ( 0.3837209 0.3837209 0.3837209), wk = 0.0030211 k( 184) = ( 0.3953488 0.3953488 0.3953488), wk = 0.0030211 k( 185) = ( 0.4069767 0.4069767 0.4069767), wk = 0.0030211 k( 186) = ( 0.4186047 0.4186046 0.4186046), wk = 0.0030211 k( 187) = ( 0.4302326 0.4302326 0.4302326), wk = 0.0030211 k( 188) = ( 0.4418605 0.4418605 0.4418605), wk = 0.0030211 k( 189) = ( 0.4534884 0.4534884 0.4534884), wk = 0.0030211 k( 190) = ( 0.4651163 0.4651163 0.4651163), wk = 0.0030211 k( 191) = ( 0.4767442 0.4767442 0.4767442), wk = 0.0030211 k( 192) = ( 0.4883721 0.4883721 0.4883721), wk = 0.0030211 k( 193) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0030211 k( 194) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0030211 k( 195) = ( 0.5040323 0.4919355 0.5040323), wk = 0.0030211 k( 196) = ( 0.5080645 0.4838710 0.5080645), wk = 0.0030211 k( 197) = ( 0.5120968 0.4758064 0.5120968), wk = 0.0030211 k( 198) = ( 0.5161290 0.4677419 0.5161290), wk = 0.0030211 k( 199) = ( 0.5201613 0.4596774 0.5201613), wk = 0.0030211 k( 200) = ( 0.5241936 0.4516129 0.5241936), wk = 0.0030211 k( 201) = ( 0.5282258 0.4435484 0.5282258), wk = 0.0030211 k( 202) = ( 0.5322581 0.4354839 0.5322581), wk = 0.0030211 k( 203) = ( 0.5362903 0.4274193 0.5362903), wk = 0.0030211 k( 204) = ( 0.5403226 0.4193548 0.5403226), wk = 0.0030211 k( 205) = ( 0.5443548 0.4112903 0.5443548), wk = 0.0030211 k( 206) = ( 0.5483871 0.4032258 0.5483871), wk = 0.0030211 k( 207) = ( 0.5524193 0.3951613 0.5524193), wk = 0.0030211 k( 208) = ( 0.5564516 0.3870968 0.5564516), wk = 0.0030211 k( 209) = ( 0.5604839 0.3790323 0.5604839), wk = 0.0030211 k( 210) = ( 0.5645161 0.3709677 0.5645161), wk = 0.0030211 k( 211) = ( 0.5685484 0.3629032 0.5685484), wk = 0.0030211 k( 212) = ( 0.5725807 0.3548387 0.5725807), wk = 0.0030211 k( 213) = ( 0.5766129 0.3467742 0.5766129), wk = 0.0030211 k( 214) = ( 0.5806452 0.3387097 0.5806452), wk = 0.0030211 k( 215) = ( 0.5846774 0.3306452 0.5846774), wk = 0.0030211 k( 216) = ( 0.5887097 0.3225806 0.5887097), wk = 0.0030211 k( 217) = ( 0.5927419 0.3145161 0.5927419), wk = 0.0030211 k( 218) = ( 0.5967742 0.3064516 0.5967742), wk = 0.0030211 k( 219) = ( 0.6008064 0.2983871 0.6008064), wk = 0.0030211 k( 220) = ( 0.6048387 0.2903226 0.6048387), wk = 0.0030211 k( 221) = ( 0.6088710 0.2822581 0.6088710), wk = 0.0030211 k( 222) = ( 0.6129032 0.2741935 0.6129032), wk = 0.0030211 k( 223) = ( 0.6169355 0.2661290 0.6169355), wk = 0.0030211 k( 224) = ( 0.6209677 0.2580645 0.6209677), wk = 0.0030211 k( 225) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0030211 k( 226) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0030211 k( 227) = ( 0.6180556 0.2500000 0.6319444), wk = 0.0030211 k( 228) = ( 0.6111111 0.2500000 0.6388889), wk = 0.0030211 k( 229) = ( 0.6041667 0.2500000 0.6458333), wk = 0.0030211 k( 230) = ( 0.5972222 0.2500000 0.6527778), wk = 0.0030211 k( 231) = ( 0.5902778 0.2500000 0.6597222), wk = 0.0030211 k( 232) = ( 0.5833333 0.2500000 0.6666667), wk = 0.0030211 k( 233) = ( 0.5763889 0.2500000 0.6736111), wk = 0.0030211 k( 234) = ( 0.5694444 0.2500000 0.6805556), wk = 0.0030211 k( 235) = ( 0.5625000 0.2500000 0.6875000), wk = 0.0030211 k( 236) = ( 0.5555556 0.2500000 0.6944444), wk = 0.0030211 k( 237) = ( 0.5486111 0.2500000 0.7013889), wk = 0.0030211 k( 238) = ( 0.5416667 0.2500000 0.7083333), wk = 0.0030211 k( 239) = ( 0.5347222 0.2500000 0.7152778), wk = 0.0030211 k( 240) = ( 0.5277778 0.2500000 0.7222222), wk = 0.0030211 k( 241) = ( 0.5208333 0.2500000 0.7291667), wk = 0.0030211 k( 242) = ( 0.5138889 0.2500000 0.7361111), wk = 0.0030211 k( 243) = ( 0.5069444 0.2500000 0.7430556), wk = 0.0030211 k( 244) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0030211 k( 245) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0030211 k( 246) = ( 0.5000000 0.2571429 0.7428571), wk = 0.0030211 k( 247) = ( 0.5000000 0.2642857 0.7357143), wk = 0.0030211 k( 248) = ( 0.5000000 0.2714286 0.7285714), wk = 0.0030211 k( 249) = ( 0.5000000 0.2785714 0.7214286), wk = 0.0030211 k( 250) = ( 0.5000000 0.2857143 0.7142857), wk = 0.0030211 k( 251) = ( 0.5000000 0.2928571 0.7071429), wk = 0.0030211 k( 252) = ( 0.5000000 0.3000000 0.7000000), wk = 0.0030211 k( 253) = ( 0.5000000 0.3071429 0.6928571), wk = 0.0030211 k( 254) = ( 0.5000000 0.3142857 0.6857143), wk = 0.0030211 k( 255) = ( 0.5000000 0.3214286 0.6785714), wk = 0.0030211 k( 256) = ( 0.5000000 0.3285714 0.6714286), wk = 0.0030211 k( 257) = ( 0.5000000 0.3357143 0.6642857), wk = 0.0030211 k( 258) = ( 0.5000000 0.3428571 0.6571429), wk = 0.0030211 k( 259) = ( 0.5000000 0.3500000 0.6500000), wk = 0.0030211 k( 260) = ( 0.5000000 0.3571429 0.6428571), wk = 0.0030211 k( 261) = ( 0.5000000 0.3642857 0.6357143), wk = 0.0030211 k( 262) = ( 0.5000000 0.3714286 0.6285714), wk = 0.0030211 k( 263) = ( 0.5000000 0.3785714 0.6214286), wk = 0.0030211 k( 264) = ( 0.5000000 0.3857143 0.6142857), wk = 0.0030211 k( 265) = ( 0.5000000 0.3928571 0.6071429), wk = 0.0030211 k( 266) = ( 0.5000000 0.4000000 0.6000000), wk = 0.0030211 k( 267) = ( 0.5000000 0.4071429 0.5928571), wk = 0.0030211 k( 268) = ( 0.5000000 0.4142857 0.5857143), wk = 0.0030211 k( 269) = ( 0.5000000 0.4214286 0.5785714), wk = 0.0030211 k( 270) = ( 0.5000000 0.4285714 0.5714286), wk = 0.0030211 k( 271) = ( 0.5000000 0.4357143 0.5642857), wk = 0.0030211 k( 272) = ( 0.5000000 0.4428571 0.5571429), wk = 0.0030211 k( 273) = ( 0.5000000 0.4500000 0.5500000), wk = 0.0030211 k( 274) = ( 0.5000000 0.4571429 0.5428571), wk = 0.0030211 k( 275) = ( 0.5000000 0.4642857 0.5357143), wk = 0.0030211 k( 276) = ( 0.5000000 0.4714286 0.5285714), wk = 0.0030211 k( 277) = ( 0.5000000 0.4785714 0.5214286), wk = 0.0030211 k( 278) = ( 0.5000000 0.4857143 0.5142857), wk = 0.0030211 k( 279) = ( 0.5000000 0.4928571 0.5071429), wk = 0.0030211 k( 280) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0030211 k( 281) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0030211 k( 282) = ( 0.4959677 0.4959677 0.5080645), wk = 0.0030211 k( 283) = ( 0.4919355 0.4919355 0.5161290), wk = 0.0030211 k( 284) = ( 0.4879032 0.4879032 0.5241936), wk = 0.0030211 k( 285) = ( 0.4838710 0.4838710 0.5322581), wk = 0.0030211 k( 286) = ( 0.4798387 0.4798387 0.5403226), wk = 0.0030211 k( 287) = ( 0.4758064 0.4758064 0.5483871), wk = 0.0030211 k( 288) = ( 0.4717742 0.4717742 0.5564516), wk = 0.0030211 k( 289) = ( 0.4677419 0.4677419 0.5645161), wk = 0.0030211 k( 290) = ( 0.4637097 0.4637097 0.5725807), wk = 0.0030211 k( 291) = ( 0.4596774 0.4596774 0.5806452), wk = 0.0030211 k( 292) = ( 0.4556452 0.4556452 0.5887097), wk = 0.0030211 k( 293) = ( 0.4516129 0.4516129 0.5967742), wk = 0.0030211 k( 294) = ( 0.4475807 0.4475807 0.6048387), wk = 0.0030211 k( 295) = ( 0.4435484 0.4435484 0.6129032), wk = 0.0030211 k( 296) = ( 0.4395161 0.4395161 0.6209677), wk = 0.0030211 k( 297) = ( 0.4354839 0.4354839 0.6290323), wk = 0.0030211 k( 298) = ( 0.4314516 0.4314516 0.6370968), wk = 0.0030211 k( 299) = ( 0.4274193 0.4274193 0.6451613), wk = 0.0030211 k( 300) = ( 0.4233871 0.4233871 0.6532258), wk = 0.0030211 k( 301) = ( 0.4193548 0.4193548 0.6612903), wk = 0.0030211 k( 302) = ( 0.4153226 0.4153226 0.6693548), wk = 0.0030211 k( 303) = ( 0.4112903 0.4112903 0.6774193), wk = 0.0030211 k( 304) = ( 0.4072581 0.4072581 0.6854839), wk = 0.0030211 k( 305) = ( 0.4032258 0.4032258 0.6935484), wk = 0.0030211 k( 306) = ( 0.3991936 0.3991935 0.7016129), wk = 0.0030211 k( 307) = ( 0.3951613 0.3951613 0.7096774), wk = 0.0030211 k( 308) = ( 0.3911290 0.3911290 0.7177419), wk = 0.0030211 k( 309) = ( 0.3870968 0.3870968 0.7258064), wk = 0.0030211 k( 310) = ( 0.3830645 0.3830645 0.7338710), wk = 0.0030211 k( 311) = ( 0.3790323 0.3790323 0.7419355), wk = 0.0030211 k( 312) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0030211 k( 313) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0030211 k( 314) = ( 0.6180556 0.2361111 0.6180556), wk = 0.0030211 k( 315) = ( 0.6111111 0.2222222 0.6111111), wk = 0.0030211 k( 316) = ( 0.6041667 0.2083333 0.6041667), wk = 0.0030211 k( 317) = ( 0.5972222 0.1944444 0.5972222), wk = 0.0030211 k( 318) = ( 0.5902778 0.1805556 0.5902778), wk = 0.0030211 k( 319) = ( 0.5833333 0.1666667 0.5833333), wk = 0.0030211 k( 320) = ( 0.5763889 0.1527778 0.5763889), wk = 0.0030211 k( 321) = ( 0.5694444 0.1388889 0.5694444), wk = 0.0030211 k( 322) = ( 0.5625000 0.1250000 0.5625000), wk = 0.0030211 k( 323) = ( 0.5555556 0.1111111 0.5555556), wk = 0.0030211 k( 324) = ( 0.5486111 0.0972222 0.5486111), wk = 0.0030211 k( 325) = ( 0.5416667 0.0833333 0.5416667), wk = 0.0030211 k( 326) = ( 0.5347222 0.0694444 0.5347222), wk = 0.0030211 k( 327) = ( 0.5277778 0.0555556 0.5277778), wk = 0.0030211 k( 328) = ( 0.5208333 0.0416667 0.5208333), wk = 0.0030211 k( 329) = ( 0.5138889 0.0277778 0.5138889), wk = 0.0030211 k( 330) = ( 0.5069444 0.0138889 0.5069444), wk = 0.0030211 k( 331) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0030211 Dense grid: 73265 G-vectors FFT dimensions: ( 60, 60, 60) Smooth grid: 18883 G-vectors FFT dimensions: ( 40, 40, 40) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.09 Mb ( 138, 44) NL pseudopotentials 0.11 Mb ( 69, 102) Each V/rho on FFT grid 0.11 Mb ( 7200) Each G-vector array 0.02 Mb ( 2036) G-vector shells 0.00 Mb ( 503) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.37 Mb ( 138, 176) Each subspace H/S matrix 0.03 Mb ( 44, 44) Each matrix 0.14 Mb ( 102, 2, 44) The potential is recalculated from file : ./YNiBi.save/charge-density.dat Starting wfc are 62 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.5 secs Computing kpt #: 2 total cpu time spent up to now is 3.9 secs Computing kpt #: 3 total cpu time spent up to now is 4.4 secs Computing kpt #: 4 total cpu time spent up to now is 4.8 secs Computing kpt #: 5 total cpu time spent up to now is 5.2 secs Computing kpt #: 6 total cpu time spent up to now is 5.6 secs Computing kpt #: 7 total cpu time spent up to now is 6.0 secs Computing kpt #: 8 total cpu time spent up to now is 6.4 secs Computing kpt #: 9 total cpu time spent up to now is 6.8 secs Computing kpt #: 10 total cpu time spent up to now is 7.2 secs Computing kpt #: 11 total cpu time spent up to now is 7.7 secs Computing kpt #: 12 total cpu time spent up to now is 8.2 secs Computing kpt #: 13 total cpu time spent up to now is 8.6 secs Computing kpt #: 14 total cpu time spent up to now is 9.0 secs Computing kpt #: 15 total cpu time spent up to now is 9.4 secs Computing kpt #: 16 total cpu time spent up to now is 9.8 secs Computing kpt #: 17 total cpu time spent up to now is 10.2 secs Computing kpt #: 18 total cpu time spent up to now is 10.6 secs Computing kpt #: 19 total cpu time spent up to now is 11.0 secs Computing kpt #: 20 total cpu time spent up to now is 11.4 secs Computing kpt #: 21 total cpu time spent up to now is 11.8 secs Computing kpt #: 22 total cpu time spent up to now is 12.2 secs Computing kpt #: 23 total cpu time spent up to now is 12.6 secs Computing kpt #: 24 total cpu time spent up to now is 13.0 secs Computing kpt #: 25 total cpu time spent up to now is 13.4 secs Computing kpt #: 26 total cpu time spent up to now is 13.8 secs Computing kpt #: 27 total cpu time spent up to now is 14.2 secs Computing kpt #: 28 total cpu time spent up to now is 14.6 secs Computing kpt #: 29 total cpu time spent up to now is 15.0 secs Computing kpt #: 30 total cpu time spent up to now is 15.4 secs Computing kpt #: 31 total cpu time spent up to now is 15.8 secs Computing kpt #: 32 total cpu time spent up to now is 16.2 secs Computing kpt #: 33 total cpu time spent up to now is 16.6 secs Computing kpt #: 34 total cpu time spent up to now is 17.0 secs Computing kpt #: 35 total cpu time spent up to now is 17.4 secs Computing kpt #: 36 total cpu time spent up to now is 17.9 secs Computing kpt #: 37 total cpu time spent up to now is 18.3 secs Computing kpt #: 38 total cpu time spent up to now is 18.7 secs Computing kpt #: 39 total cpu time spent up to now is 19.1 secs Computing kpt #: 40 total cpu time spent up to now is 19.5 secs Computing kpt #: 41 total cpu time spent up to now is 20.0 secs Computing kpt #: 42 total cpu time spent up to now is 20.4 secs Computing kpt #: 43 total cpu time spent up to now is 20.8 secs Computing kpt #: 44 total cpu time spent up to now is 21.2 secs Computing kpt #: 45 total cpu time spent up to now is 21.7 secs Computing kpt #: 46 total cpu time spent up to now is 22.2 secs Computing kpt #: 47 total cpu time spent up to now is 22.6 secs Computing kpt #: 48 total cpu time spent up to now is 23.0 secs Computing kpt #: 49 total cpu time spent up to now is 23.5 secs Computing kpt #: 50 total cpu time spent up to now is 23.9 secs Computing kpt #: 51 total cpu time spent up to now is 24.3 secs Computing kpt #: 52 total cpu time spent up to now is 24.8 secs Computing kpt #: 53 total cpu time spent up to now is 25.2 secs Computing kpt #: 54 total cpu time spent up to now is 25.6 secs Computing kpt #: 55 total cpu time spent up to now is 26.1 secs Computing kpt #: 56 total cpu time spent up to now is 26.5 secs Computing kpt #: 57 total cpu time spent up to now is 27.0 secs Computing kpt #: 58 total cpu time spent up to now is 27.4 secs Computing kpt #: 59 total cpu time spent up to now is 27.8 secs Computing kpt #: 60 total cpu time spent up to now is 28.2 secs Computing kpt #: 61 total cpu time spent up to now is 28.6 secs Computing kpt #: 62 total cpu time spent up to now is 29.1 secs Computing kpt #: 63 total cpu time spent up to now is 29.6 secs Computing kpt #: 64 total cpu time spent up to now is 30.0 secs Computing kpt #: 65 total cpu time spent up to now is 30.5 secs Computing kpt #: 66 total cpu time spent up to now is 30.9 secs Computing kpt #: 67 total cpu time spent up to now is 31.4 secs Computing kpt #: 68 total cpu time spent up to now is 31.8 secs Computing kpt #: 69 total cpu time spent up to now is 32.2 secs Computing kpt #: 70 total cpu time spent up to now is 32.6 secs Computing kpt #: 71 total cpu time spent up to now is 33.0 secs Computing kpt #: 72 total cpu time spent up to now is 33.5 secs Computing kpt #: 73 total cpu time spent up to now is 33.9 secs Computing kpt #: 74 total cpu time spent up to now is 34.3 secs Computing kpt #: 75 total cpu time spent up to now is 34.8 secs Computing kpt #: 76 total cpu time spent up to now is 35.2 secs Computing kpt #: 77 total cpu time spent up to now is 35.6 secs Computing kpt #: 78 total cpu time spent up to now is 36.0 secs Computing kpt #: 79 total cpu time spent up to now is 36.5 secs Computing kpt #: 80 total cpu time spent up to now is 37.0 secs Computing kpt #: 81 total cpu time spent up to now is 37.4 secs Computing kpt #: 82 total cpu time spent up to now is 37.8 secs Computing kpt #: 83 total cpu time spent up to now is 38.3 secs Computing kpt #: 84 total cpu time spent up to now is 38.7 secs Computing kpt #: 85 total cpu time spent up to now is 39.2 secs Computing kpt #: 86 total cpu time spent up to now is 39.6 secs Computing kpt #: 87 total cpu time spent up to now is 40.0 secs Computing kpt #: 88 total cpu time spent up to now is 40.4 secs Computing kpt #: 89 total cpu time spent up to now is 40.9 secs Computing kpt #: 90 total cpu time spent up to now is 41.3 secs Computing kpt #: 91 total cpu time spent up to now is 41.8 secs Computing kpt #: 92 total cpu time spent up to now is 42.2 secs Computing kpt #: 93 total cpu time spent up to now is 42.7 secs Computing kpt #: 94 total cpu time spent up to now is 43.1 secs Computing kpt #: 95 total cpu time spent up to now is 43.6 secs Computing kpt #: 96 total cpu time spent up to now is 44.1 secs Computing kpt #: 97 total cpu time spent up to now is 44.5 secs Computing kpt #: 98 total cpu time spent up to now is 44.9 secs Computing kpt #: 99 total cpu time spent up to now is 45.3 secs Computing kpt #: 100 total cpu time spent up to now is 45.8 secs Computing kpt #: 101 total cpu time spent up to now is 46.2 secs Computing kpt #: 102 total cpu time spent up to now is 46.6 secs Computing kpt #: 103 total cpu time spent up to now is 47.0 secs Computing kpt #: 104 total cpu time spent up to now is 47.4 secs Computing kpt #: 105 total cpu time spent up to now is 47.8 secs Computing kpt #: 106 total cpu time spent up to now is 48.3 secs Computing kpt #: 107 total cpu time spent up to now is 48.6 secs Computing kpt #: 108 total cpu time spent up to now is 49.1 secs Computing kpt #: 109 total cpu time spent up to now is 49.5 secs Computing kpt #: 110 total cpu time spent up to now is 50.0 secs Computing kpt #: 111 total cpu time spent up to now is 50.4 secs Computing kpt #: 112 total cpu time spent up to now is 50.8 secs Computing kpt #: 113 total cpu time spent up to now is 51.3 secs Computing kpt #: 114 total cpu time spent up to now is 51.7 secs Computing kpt #: 115 total cpu time spent up to now is 52.2 secs Computing kpt #: 116 total cpu time spent up to now is 52.6 secs Computing kpt #: 117 total cpu time spent up to now is 53.0 secs Computing kpt #: 118 total cpu time spent up to now is 53.4 secs Computing kpt #: 119 total cpu time spent up to now is 53.9 secs Computing kpt #: 120 total cpu time spent up to now is 54.3 secs Computing kpt #: 121 total cpu time spent up to now is 54.7 secs Computing kpt #: 122 total cpu time spent up to now is 55.1 secs Computing kpt #: 123 total cpu time spent up to now is 55.5 secs Computing kpt #: 124 total cpu time spent up to now is 55.9 secs Computing kpt #: 125 total cpu time spent up to now is 56.3 secs Computing kpt #: 126 total cpu time spent up to now is 56.7 secs Computing kpt #: 127 total cpu time spent up to now is 57.1 secs Computing kpt #: 128 total cpu time spent up to now is 57.5 secs Computing kpt #: 129 total cpu time spent up to now is 57.9 secs Computing kpt #: 130 total cpu time spent up to now is 58.2 secs Computing kpt #: 131 total cpu time spent up to now is 58.6 secs Computing kpt #: 132 total cpu time spent up to now is 59.0 secs Computing kpt #: 133 total cpu time spent up to now is 59.4 secs Computing kpt #: 134 total cpu time spent up to now is 59.8 secs Computing kpt #: 135 total cpu time spent up to now is 60.2 secs Computing kpt #: 136 total cpu time spent up to now is 60.6 secs Computing kpt #: 137 total cpu time spent up to now is 61.0 secs Computing kpt #: 138 total cpu time spent up to now is 61.4 secs Computing kpt #: 139 total cpu time spent up to now is 61.8 secs Computing kpt #: 140 total cpu time spent up to now is 62.2 secs Computing kpt #: 141 total cpu time spent up to now is 62.6 secs Computing kpt #: 142 total cpu time spent up to now is 63.0 secs Computing kpt #: 143 total cpu time spent up to now is 63.4 secs Computing kpt #: 144 total cpu time spent up to now is 63.8 secs Computing kpt #: 145 total cpu time spent up to now is 64.3 secs Computing kpt #: 146 total cpu time spent up to now is 64.7 secs Computing kpt #: 147 total cpu time spent up to now is 65.0 secs Computing kpt #: 148 total cpu time spent up to now is 65.5 secs Computing kpt #: 149 total cpu time spent up to now is 65.8 secs Computing kpt #: 150 total cpu time spent up to now is 66.3 secs Computing kpt #: 151 total cpu time spent up to now is 66.7 secs Computing kpt #: 152 total cpu time spent up to now is 67.1 secs Computing kpt #: 153 total cpu time spent up to now is 67.5 secs Computing kpt #: 154 total cpu time spent up to now is 67.9 secs Computing kpt #: 155 total cpu time spent up to now is 68.3 secs Computing kpt #: 156 total cpu time spent up to now is 68.7 secs Computing kpt #: 157 total cpu time spent up to now is 69.1 secs Computing kpt #: 158 total cpu time spent up to now is 69.6 secs Computing kpt #: 159 total cpu time spent up to now is 70.0 secs Computing kpt #: 160 total cpu time spent up to now is 70.4 secs Computing kpt #: 161 total cpu time spent up to now is 70.8 secs Computing kpt #: 162 total cpu time spent up to now is 71.2 secs Computing kpt #: 163 total cpu time spent up to now is 71.6 secs Computing kpt #: 164 total cpu time spent up to now is 72.0 secs Computing kpt #: 165 total cpu time spent up to now is 72.4 secs Computing kpt #: 166 total cpu time spent up to now is 72.8 secs Computing kpt #: 167 total cpu time spent up to now is 73.2 secs Computing kpt #: 168 total cpu time spent up to now is 73.6 secs Computing kpt #: 169 total cpu time spent up to now is 74.0 secs Computing kpt #: 170 total cpu time spent up to now is 74.4 secs Computing kpt #: 171 total cpu time spent up to now is 74.8 secs Computing kpt #: 172 total cpu time spent up to now is 75.2 secs Computing kpt #: 173 total cpu time spent up to now is 75.6 secs Computing kpt #: 174 total cpu time spent up to now is 76.1 secs Computing kpt #: 175 total cpu time spent up to now is 76.5 secs Computing kpt #: 176 total cpu time spent up to now is 77.0 secs Computing kpt #: 177 total cpu time spent up to now is 77.4 secs Computing kpt #: 178 total cpu time spent up to now is 77.9 secs Computing kpt #: 179 total cpu time spent up to now is 78.3 secs Computing kpt #: 180 total cpu time spent up to now is 78.8 secs Computing kpt #: 181 total cpu time spent up to now is 79.2 secs Computing kpt #: 182 total cpu time spent up to now is 79.6 secs Computing kpt #: 183 total cpu time spent up to now is 80.0 secs Computing kpt #: 184 total cpu time spent up to now is 80.4 secs Computing kpt #: 185 total cpu time spent up to now is 80.8 secs Computing kpt #: 186 total cpu time spent up to now is 81.2 secs Computing kpt #: 187 total cpu time spent up to now is 81.5 secs Computing kpt #: 188 total cpu time spent up to now is 81.9 secs Computing kpt #: 189 total cpu time spent up to now is 82.3 secs Computing kpt #: 190 total cpu time spent up to now is 82.7 secs Computing kpt #: 191 total cpu time spent up to now is 83.1 secs Computing kpt #: 192 total cpu time spent up to now is 83.5 secs Computing kpt #: 193 total cpu time spent up to now is 83.9 secs Computing kpt #: 194 total cpu time spent up to now is 84.2 secs Computing kpt #: 195 total cpu time spent up to now is 84.6 secs Computing kpt #: 196 total cpu time spent up to now is 85.0 secs Computing kpt #: 197 total cpu time spent up to now is 85.3 secs Computing kpt #: 198 total cpu time spent up to now is 85.7 secs Computing kpt #: 199 total cpu time spent up to now is 86.1 secs Computing kpt #: 200 total cpu time spent up to now is 86.6 secs Computing kpt #: 201 total cpu time spent up to now is 87.0 secs Computing kpt #: 202 total cpu time spent up to now is 87.4 secs Computing kpt #: 203 total cpu time spent up to now is 87.8 secs Computing kpt #: 204 total cpu time spent up to now is 88.2 secs Computing kpt #: 205 total cpu time spent up to now is 88.6 secs Computing kpt #: 206 total cpu time spent up to now is 89.0 secs Computing kpt #: 207 total cpu time spent up to now is 89.4 secs Computing kpt #: 208 total cpu time spent up to now is 89.9 secs Computing kpt #: 209 total cpu time spent up to now is 90.3 secs Computing kpt #: 210 total cpu time spent up to now is 90.7 secs Computing kpt #: 211 total cpu time spent up to now is 91.2 secs Computing kpt #: 212 total cpu time spent up to now is 91.6 secs Computing kpt #: 213 total cpu time spent up to now is 92.1 secs Computing kpt #: 214 total cpu time spent up to now is 92.5 secs Computing kpt #: 215 total cpu time spent up to now is 92.9 secs Computing kpt #: 216 total cpu time spent up to now is 93.4 secs Computing kpt #: 217 total cpu time spent up to now is 93.8 secs Computing kpt #: 218 total cpu time spent up to now is 94.2 secs Computing kpt #: 219 total cpu time spent up to now is 94.7 secs Computing kpt #: 220 total cpu time spent up to now is 95.1 secs Computing kpt #: 221 total cpu time spent up to now is 95.5 secs Computing kpt #: 222 total cpu time spent up to now is 95.9 secs Computing kpt #: 223 total cpu time spent up to now is 96.4 secs Computing kpt #: 224 total cpu time spent up to now is 96.9 secs Computing kpt #: 225 total cpu time spent up to now is 97.3 secs Computing kpt #: 226 total cpu time spent up to now is 97.8 secs Computing kpt #: 227 total cpu time spent up to now is 98.2 secs Computing kpt #: 228 total cpu time spent up to now is 98.7 secs Computing kpt #: 229 total cpu time spent up to now is 99.1 secs Computing kpt #: 230 total cpu time spent up to now is 99.6 secs Computing kpt #: 231 total cpu time spent up to now is 100.0 secs Computing kpt #: 232 total cpu time spent up to now is 100.5 secs Computing kpt #: 233 total cpu time spent up to now is 100.9 secs Computing kpt #: 234 total cpu time spent up to now is 101.3 secs Computing kpt #: 235 total cpu time spent up to now is 101.7 secs Computing kpt #: 236 total cpu time spent up to now is 102.2 secs Computing kpt #: 237 total cpu time spent up to now is 102.6 secs Computing kpt #: 238 total cpu time spent up to now is 103.0 secs Computing kpt #: 239 total cpu time spent up to now is 103.4 secs Computing kpt #: 240 total cpu time spent up to now is 103.9 secs Computing kpt #: 241 total cpu time spent up to now is 104.3 secs Computing kpt #: 242 total cpu time spent up to now is 104.7 secs Computing kpt #: 243 total cpu time spent up to now is 105.2 secs Computing kpt #: 244 total cpu time spent up to now is 105.6 secs Computing kpt #: 245 total cpu time spent up to now is 106.0 secs Computing kpt #: 246 total cpu time spent up to now is 106.8 secs Computing kpt #: 247 total cpu time spent up to now is 107.3 secs Computing kpt #: 248 total cpu time spent up to now is 107.7 secs Computing kpt #: 249 total cpu time spent up to now is 108.1 secs Computing kpt #: 250 total cpu time spent up to now is 108.6 secs Computing kpt #: 251 total cpu time spent up to now is 109.0 secs Computing kpt #: 252 total cpu time spent up to now is 109.4 secs Computing kpt #: 253 total cpu time spent up to now is 109.8 secs Computing kpt #: 254 total cpu time spent up to now is 110.2 secs Computing kpt #: 255 total cpu time spent up to now is 110.6 secs Computing kpt #: 256 total cpu time spent up to now is 111.1 secs Computing kpt #: 257 total cpu time spent up to now is 111.5 secs Computing kpt #: 258 total cpu time spent up to now is 111.9 secs Computing kpt #: 259 total cpu time spent up to now is 112.3 secs Computing kpt #: 260 total cpu time spent up to now is 112.8 secs Computing kpt #: 261 total cpu time spent up to now is 113.2 secs Computing kpt #: 262 total cpu time spent up to now is 113.7 secs Computing kpt #: 263 total cpu time spent up to now is 114.1 secs Computing kpt #: 264 total cpu time spent up to now is 114.5 secs Computing kpt #: 265 total cpu time spent up to now is 114.9 secs Computing kpt #: 266 total cpu time spent up to now is 115.4 secs Computing kpt #: 267 total cpu time spent up to now is 115.8 secs Computing kpt #: 268 total cpu time spent up to now is 116.3 secs Computing kpt #: 269 total cpu time spent up to now is 116.7 secs Computing kpt #: 270 total cpu time spent up to now is 117.1 secs Computing kpt #: 271 total cpu time spent up to now is 117.6 secs Computing kpt #: 272 total cpu time spent up to now is 118.0 secs Computing kpt #: 273 total cpu time spent up to now is 118.4 secs Computing kpt #: 274 total cpu time spent up to now is 118.8 secs Computing kpt #: 275 total cpu time spent up to now is 119.2 secs Computing kpt #: 276 total cpu time spent up to now is 119.6 secs Computing kpt #: 277 total cpu time spent up to now is 120.0 secs Computing kpt #: 278 total cpu time spent up to now is 120.4 secs Computing kpt #: 279 total cpu time spent up to now is 120.8 secs Computing kpt #: 280 total cpu time spent up to now is 121.2 secs Computing kpt #: 281 total cpu time spent up to now is 121.6 secs Computing kpt #: 282 total cpu time spent up to now is 121.9 secs Computing kpt #: 283 total cpu time spent up to now is 122.3 secs Computing kpt #: 284 total cpu time spent up to now is 122.7 secs Computing kpt #: 285 total cpu time spent up to now is 123.1 secs Computing kpt #: 286 total cpu time spent up to now is 123.5 secs Computing kpt #: 287 total cpu time spent up to now is 124.0 secs Computing kpt #: 288 total cpu time spent up to now is 124.4 secs Computing kpt #: 289 total cpu time spent up to now is 124.8 secs Computing kpt #: 290 total cpu time spent up to now is 125.2 secs Computing kpt #: 291 total cpu time spent up to now is 125.6 secs Computing kpt #: 292 total cpu time spent up to now is 126.0 secs Computing kpt #: 293 total cpu time spent up to now is 126.4 secs Computing kpt #: 294 total cpu time spent up to now is 126.8 secs Computing kpt #: 295 total cpu time spent up to now is 127.2 secs Computing kpt #: 296 total cpu time spent up to now is 127.6 secs Computing kpt #: 297 total cpu time spent up to now is 128.1 secs Computing kpt #: 298 total cpu time spent up to now is 128.5 secs Computing kpt #: 299 total cpu time spent up to now is 128.9 secs Computing kpt #: 300 total cpu time spent up to now is 129.3 secs Computing kpt #: 301 total cpu time spent up to now is 129.8 secs Computing kpt #: 302 total cpu time spent up to now is 130.3 secs Computing kpt #: 303 total cpu time spent up to now is 130.7 secs Computing kpt #: 304 total cpu time spent up to now is 131.2 secs Computing kpt #: 305 total cpu time spent up to now is 131.6 secs Computing kpt #: 306 total cpu time spent up to now is 132.0 secs Computing kpt #: 307 total cpu time spent up to now is 132.5 secs Computing kpt #: 308 total cpu time spent up to now is 132.9 secs Computing kpt #: 309 total cpu time spent up to now is 133.3 secs Computing kpt #: 310 total cpu time spent up to now is 133.8 secs Computing kpt #: 311 total cpu time spent up to now is 134.3 secs Computing kpt #: 312 total cpu time spent up to now is 134.7 secs Computing kpt #: 313 total cpu time spent up to now is 135.1 secs Computing kpt #: 314 total cpu time spent up to now is 135.6 secs Computing kpt #: 315 total cpu time spent up to now is 136.1 secs Computing kpt #: 316 total cpu time spent up to now is 136.6 secs Computing kpt #: 317 total cpu time spent up to now is 137.0 secs Computing kpt #: 318 total cpu time spent up to now is 137.5 secs Computing kpt #: 319 total cpu time spent up to now is 137.9 secs Computing kpt #: 320 total cpu time spent up to now is 138.3 secs Computing kpt #: 321 total cpu time spent up to now is 138.7 secs Computing kpt #: 322 total cpu time spent up to now is 139.2 secs Computing kpt #: 323 total cpu time spent up to now is 139.6 secs Computing kpt #: 324 total cpu time spent up to now is 140.1 secs Computing kpt #: 325 total cpu time spent up to now is 140.5 secs Computing kpt #: 326 total cpu time spent up to now is 140.9 secs Computing kpt #: 327 total cpu time spent up to now is 141.4 secs Computing kpt #: 328 total cpu time spent up to now is 141.9 secs Computing kpt #: 329 total cpu time spent up to now is 142.3 secs Computing kpt #: 330 total cpu time spent up to now is 142.7 secs Computing kpt #: 331 total cpu time spent up to now is 143.2 secs ethr = 2.78E-08, avg # of iterations = 16.5 total cpu time spent up to now is 143.2 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2397 PWs) bands (ev): -29.5953 -29.5953 -11.2073 -11.2073 -11.2073 -11.2073 -10.6419 -10.6419 -9.2154 -9.2154 -9.2154 -9.2154 -8.2490 -8.2490 -8.2490 -8.2490 -8.2309 -8.2309 0.9770 0.9770 9.7665 9.7665 10.4988 10.4988 10.4988 10.4988 10.9284 10.9284 10.9284 10.9284 12.5336 12.5336 12.9354 12.9354 12.9354 12.9354 13.6427 13.6427 13.6857 13.6857 14.7975 14.7975 14.7975 14.7975 k = 0.0100-0.0058 0.0082 ( 2337 PWs) bands (ev): -29.5953 -29.5953 -11.2073 -11.2073 -11.2073 -11.2073 -10.6419 -10.6419 -9.2155 -9.2155 -9.2154 -9.2154 -8.2490 -8.2490 -8.2488 -8.2488 -8.2309 -8.2309 0.9781 0.9781 9.7644 9.7644 10.4929 10.4929 10.5022 10.5022 10.9243 10.9243 10.9350 10.9350 12.5262 12.5262 12.9256 12.9256 12.9320 12.9320 13.6402 13.6402 13.6978 13.6978 14.7893 14.7893 14.8074 14.8074 k = 0.0200-0.0115 0.0163 ( 2337 PWs) bands (ev): -29.5953 -29.5953 -11.2075 -11.2075 -11.2073 -11.2073 -10.6420 -10.6420 -9.2159 -9.2159 -9.2155 -9.2155 -8.2490 -8.2490 -8.2484 -8.2484 -8.2308 -8.2308 0.9816 0.9816 9.7573 9.7573 10.4818 10.4818 10.5040 10.5040 10.9215 10.9215 10.9428 10.9428 12.5044 12.5044 12.8972 12.8972 12.9216 12.9216 13.6366 13.6366 13.7286 13.7286 14.7770 14.7770 14.8266 14.8266 k = 0.0300-0.0173 0.0245 ( 2341 PWs) bands (ev): -29.5952 -29.5952 -11.2077 -11.2077 -11.2073 -11.2073 -10.6422 -10.6422 -9.2164 -9.2164 -9.2157 -9.2157 -8.2489 -8.2489 -8.2476 -8.2476 -8.2307 -8.2307 0.9875 0.9875 9.7453 9.7453 10.4656 10.4656 10.5054 10.5054 10.9202 10.9202 10.9520 10.9520 12.4704 12.4704 12.8534 12.8534 12.9042 12.9042 13.6336 13.6336 13.7732 13.7732 14.7635 14.7635 14.8570 14.8570 k = 0.0400-0.0231 0.0327 ( 2341 PWs) bands (ev): -29.5952 -29.5952 -11.2081 -11.2081 -11.2073 -11.2073 -10.6425 -10.6425 -9.2173 -9.2173 -9.2159 -9.2159 -8.2489 -8.2489 -8.2465 -8.2465 -8.2306 -8.2306 0.9955 0.9955 9.7281 9.7281 10.4450 10.4450 10.5071 10.5071 10.9202 10.9202 10.9620 10.9620 12.4267 12.4267 12.7981 12.7981 12.8801 12.8801 13.6301 13.6301 13.8289 13.8289 14.7525 14.7525 14.8981 14.8981 k = 0.0500-0.0289 0.0408 ( 2349 PWs) bands (ev): -29.5952 -29.5952 -11.2085 -11.2085 -11.2072 -11.2072 -10.6429 -10.6429 -9.2183 -9.2183 -9.2163 -9.2163 -8.2488 -8.2488 -8.2452 -8.2452 -8.2304 -8.2304 1.0059 1.0059 9.7052 9.7052 10.4210 10.4210 10.5089 10.5089 10.9212 10.9212 10.9725 10.9725 12.3760 12.3760 12.7349 12.7349 12.8498 12.8498 13.6245 13.6245 13.8935 13.8935 14.7464 14.7464 14.9490 14.9490 k = 0.0600-0.0346 0.0490 ( 2349 PWs) bands (ev): -29.5951 -29.5951 -11.2090 -11.2090 -11.2072 -11.2072 -10.6433 -10.6433 -9.2195 -9.2195 -9.2166 -9.2166 -8.2487 -8.2487 -8.2436 -8.2436 -8.2302 -8.2302 1.0184 1.0184 9.6763 9.6763 10.3950 10.3950 10.5112 10.5112 10.9232 10.9232 10.9830 10.9830 12.3205 12.3205 12.6669 12.6669 12.8142 12.8142 13.6160 13.6160 13.9651 13.9651 14.7463 14.7463 15.0084 15.0084 k = 0.0700-0.0404 0.0572 ( 2349 PWs) bands (ev): -29.5951 -29.5951 -11.2095 -11.2095 -11.2072 -11.2072 -10.6439 -10.6439 -9.2209 -9.2209 -9.2171 -9.2171 -8.2486 -8.2486 -8.2417 -8.2417 -8.2299 -8.2299 1.0331 1.0331 9.6409 9.6409 10.3682 10.3682 10.5139 10.5139 10.9260 10.9260 10.9930 10.9930 12.2623 12.2623 12.5966 12.5966 12.7743 12.7743 13.6044 13.6044 14.0414 14.0414 14.7528 14.7528 15.0752 15.0752 k = 0.0800-0.0462 0.0653 ( 2341 PWs) bands (ev): -29.5950 -29.5950 -11.2101 -11.2101 -11.2072 -11.2072 -10.6445 -10.6445 -9.2225 -9.2225 -9.2176 -9.2176 -8.2485 -8.2485 -8.2397 -8.2397 -8.2296 -8.2296 1.0498 1.0498 9.5990 9.5990 10.3417 10.3417 10.5170 10.5170 10.9295 10.9295 11.0024 11.0024 12.2028 12.2028 12.5256 12.5256 12.7311 12.7311 13.5897 13.5897 14.1208 14.1208 14.7662 14.7662 15.1484 15.1484 k = 0.0900-0.0520 0.0735 ( 2341 PWs) bands (ev): -29.5949 -29.5949 -11.2108 -11.2108 -11.2071 -11.2071 -10.6451 -10.6451 -9.2242 -9.2242 -9.2181 -9.2181 -8.2484 -8.2484 -8.2375 -8.2375 -8.2293 -8.2293 1.0685 1.0685 9.5504 9.5504 10.3162 10.3162 10.5204 10.5204 10.9337 10.9337 11.0107 11.0107 12.1430 12.1430 12.4553 12.4553 12.6854 12.6854 13.5723 13.5723 14.2013 14.2013 14.7867 14.7867 15.2268 15.2268 k = 0.1000-0.0577 0.0816 ( 2333 PWs) bands (ev): -29.5948 -29.5948 -11.2115 -11.2115 -11.2071 -11.2071 -10.6458 -10.6458 -9.2261 -9.2261 -9.2187 -9.2187 -8.2483 -8.2483 -8.2352 -8.2352 -8.2289 -8.2289 1.0891 1.0891 9.4954 9.4954 10.2926 10.2926 10.5242 10.5242 10.9384 10.9384 11.0178 11.0178 12.0841 12.0841 12.3866 12.3866 12.6380 12.6380 13.5527 13.5527 14.2810 14.2810 14.8150 14.8150 15.3086 15.3086 k = 0.1100-0.0635 0.0898 ( 2337 PWs) bands (ev): -29.5947 -29.5947 -11.2122 -11.2122 -11.2071 -11.2071 -10.6466 -10.6466 -9.2281 -9.2281 -9.2194 -9.2194 -8.2482 -8.2482 -8.2328 -8.2328 -8.2285 -8.2285 1.1115 1.1115 9.4345 9.4345 10.2709 10.2709 10.5282 10.5282 10.9436 10.9436 11.0235 11.0235 12.0266 12.0266 12.3199 12.3199 12.5896 12.5896 13.5313 13.5313 14.3578 14.3578 14.8521 14.8521 15.3348 15.3348 k = 0.1200-0.0693 0.0980 ( 2337 PWs) bands (ev): -29.5946 -29.5946 -11.2129 -11.2129 -11.2070 -11.2070 -10.6474 -10.6474 -9.2302 -9.2302 -9.2200 -9.2200 -8.2481 -8.2481 -8.2303 -8.2303 -8.2281 -8.2281 1.1355 1.1355 9.3685 9.3685 10.2513 10.2513 10.5326 10.5326 10.9492 10.9492 11.0277 11.0277 11.9710 11.9710 12.2558 12.2558 12.5408 12.5408 13.5087 13.5087 14.4297 14.4297 14.8988 14.8988 15.3359 15.3359 k = 0.1300-0.0751 0.1061 ( 2337 PWs) bands (ev): -29.5945 -29.5945 -11.2137 -11.2137 -11.2070 -11.2070 -10.6483 -10.6483 -9.2323 -9.2323 -9.2208 -9.2208 -8.2479 -8.2479 -8.2280 -8.2280 -8.2275 -8.2275 1.1611 1.1611 9.2982 9.2982 10.2339 10.2339 10.5373 10.5373 10.9552 10.9552 11.0303 11.0303 11.9177 11.9177 12.1943 12.1943 12.4921 12.4921 13.4852 13.4852 14.4955 14.4955 14.9556 14.9556 15.3367 15.3367 k = 0.1400-0.0808 0.1143 ( 2337 PWs) bands (ev): -29.5944 -29.5944 -11.2144 -11.2144 -11.2069 -11.2069 -10.6492 -10.6492 -9.2345 -9.2345 -9.2215 -9.2215 -8.2478 -8.2478 -8.2273 -8.2273 -8.2253 -8.2253 1.1880 1.1880 9.2246 9.2246 10.2184 10.2184 10.5423 10.5423 10.9614 10.9614 11.0312 11.0312 11.8669 11.8669 12.1357 12.1357 12.4438 12.4438 13.4613 13.4613 14.5543 14.5543 15.0224 15.0224 15.3376 15.3376 k = 0.1500-0.0866 0.1225 ( 2329 PWs) bands (ev): -29.5943 -29.5943 -11.2151 -11.2151 -11.2069 -11.2069 -10.6501 -10.6501 -9.2368 -9.2368 -9.2223 -9.2223 -8.2477 -8.2477 -8.2268 -8.2268 -8.2229 -8.2229 1.2163 1.2163 9.1486 9.1486 10.2046 10.2046 10.5477 10.5477 10.9678 10.9678 11.0305 11.0305 11.8187 11.8187 12.0800 12.0800 12.3965 12.3965 13.4373 13.4373 14.6069 14.6069 15.0980 15.0980 15.3387 15.3387 k = 0.1600-0.0924 0.1306 ( 2337 PWs) bands (ev): -29.5942 -29.5942 -11.2157 -11.2157 -11.2068 -11.2068 -10.6511 -10.6511 -9.2391 -9.2391 -9.2232 -9.2232 -8.2476 -8.2476 -8.2263 -8.2263 -8.2206 -8.2206 1.2456 1.2456 9.0713 9.0713 10.1923 10.1923 10.5532 10.5532 10.9739 10.9739 11.0280 11.0280 11.7734 11.7734 12.0272 12.0272 12.3502 12.3502 13.4135 13.4135 14.6540 14.6540 15.1801 15.1801 15.3400 15.3400 k = 0.1700-0.0981 0.1388 ( 2337 PWs) bands (ev): -29.5941 -29.5941 -11.2163 -11.2163 -11.2067 -11.2067 -10.6521 -10.6521 -9.2414 -9.2414 -9.2240 -9.2240 -8.2475 -8.2475 -8.2258 -8.2258 -8.2184 -8.2184 1.2758 1.2758 8.9935 8.9935 10.1813 10.1813 10.5589 10.5589 10.9791 10.9791 11.0247 11.0247 11.7309 11.7309 11.9772 11.9772 12.3053 12.3053 13.3902 13.3902 14.6974 14.6974 15.2660 15.2660 15.3426 15.3426 k = 0.1800-0.1039 0.1470 ( 2333 PWs) bands (ev): -29.5939 -29.5939 -11.2169 -11.2169 -11.2067 -11.2067 -10.6531 -10.6531 -9.2437 -9.2437 -9.2248 -9.2248 -8.2473 -8.2473 -8.2252 -8.2252 -8.2164 -8.2164 1.3069 1.3069 8.9161 8.9161 10.1714 10.1714 10.5649 10.5649 10.9820 10.9820 11.0217 11.0217 11.6912 11.6912 11.9302 11.9302 12.2619 12.2619 13.3675 13.3675 14.7380 14.7380 15.3320 15.3320 15.3680 15.3680 k = 0.1900-0.1097 0.1551 ( 2341 PWs) bands (ev): -29.5938 -29.5938 -11.2173 -11.2173 -11.2066 -11.2066 -10.6541 -10.6541 -9.2460 -9.2460 -9.2257 -9.2257 -8.2472 -8.2472 -8.2247 -8.2247 -8.2145 -8.2145 1.3385 1.3385 8.8399 8.8399 10.1623 10.1623 10.5710 10.5710 10.9803 10.9803 11.0213 11.0213 11.6543 11.6543 11.8859 11.8859 12.2203 12.2203 13.3456 13.3456 14.7769 14.7769 15.3393 15.3393 15.4534 15.4534 k = 0.2000-0.1155 0.1633 ( 2345 PWs) bands (ev): -29.5937 -29.5937 -11.2177 -11.2177 -11.2065 -11.2065 -10.6552 -10.6552 -9.2482 -9.2482 -9.2266 -9.2266 -8.2471 -8.2471 -8.2242 -8.2242 -8.2129 -8.2129 1.3706 1.3706 8.7654 8.7654 10.1541 10.1541 10.5772 10.5772 10.9727 10.9727 11.0247 11.0247 11.6201 11.6201 11.8443 11.8443 12.1806 12.1806 13.3246 13.3246 14.8146 14.8146 15.3413 15.3413 15.5439 15.5439 k = 0.2100-0.1212 0.1715 ( 2345 PWs) bands (ev): -29.5935 -29.5935 -11.2180 -11.2180 -11.2065 -11.2065 -10.6562 -10.6562 -9.2504 -9.2504 -9.2275 -9.2275 -8.2470 -8.2470 -8.2237 -8.2237 -8.2115 -8.2115 1.4029 1.4029 8.6934 8.6934 10.1465 10.1465 10.5835 10.5835 10.9604 10.9604 11.0307 11.0307 11.5884 11.5884 11.8053 11.8053 12.1429 12.1429 13.3046 13.3046 14.8518 14.8518 15.3427 15.3427 15.6335 15.6335 k = 0.2200-0.1270 0.1796 ( 2325 PWs) bands (ev): -29.5934 -29.5934 -11.2181 -11.2181 -11.2064 -11.2064 -10.6572 -10.6572 -9.2525 -9.2525 -9.2283 -9.2283 -8.2469 -8.2469 -8.2232 -8.2232 -8.2103 -8.2103 1.4353 1.4353 8.6244 8.6244 10.1395 10.1395 10.5900 10.5900 10.9448 10.9448 11.0383 11.0383 11.5592 11.5592 11.7690 11.7690 12.1074 12.1074 13.2857 13.2857 14.8885 14.8885 15.3440 15.3440 15.7207 15.7207 k = 0.2300-0.1328 0.1878 ( 2333 PWs) bands (ev): -29.5933 -29.5933 -11.2182 -11.2182 -11.2063 -11.2063 -10.6582 -10.6582 -9.2546 -9.2546 -9.2292 -9.2292 -8.2468 -8.2468 -8.2228 -8.2228 -8.2094 -8.2094 1.4675 1.4675 8.5588 8.5588 10.1329 10.1329 10.5963 10.5963 10.9267 10.9267 11.0465 11.0465 11.5321 11.5321 11.7349 11.7349 12.0741 12.0741 13.2680 13.2680 14.9251 14.9251 15.3452 15.3452 15.8040 15.8040 k = 0.2400-0.1386 0.1960 ( 2333 PWs) bands (ev): -29.5931 -29.5931 -11.2182 -11.2182 -11.2062 -11.2062 -10.6592 -10.6592 -9.2565 -9.2565 -9.2301 -9.2301 -8.2467 -8.2467 -8.2223 -8.2223 -8.2088 -8.2088 1.4995 1.4995 8.4970 8.4970 10.1267 10.1267 10.6026 10.6026 10.9065 10.9065 11.0552 11.0552 11.5070 11.5070 11.7032 11.7032 12.0430 12.0430 13.2514 13.2514 14.9613 14.9613 15.3465 15.3465 15.8828 15.8828 k = 0.2500-0.1443 0.2041 ( 2333 PWs) bands (ev): -29.5930 -29.5930 -11.2180 -11.2180 -11.2061 -11.2061 -10.6602 -10.6602 -9.2584 -9.2584 -9.2309 -9.2309 -8.2467 -8.2467 -8.2219 -8.2219 -8.2084 -8.2084 1.5310 1.5310 8.4393 8.4393 10.1209 10.1209 10.6087 10.6087 10.8848 10.8848 11.0640 11.0640 11.4835 11.4835 11.6736 11.6736 12.0143 12.0143 13.2359 13.2359 14.9972 14.9972 15.3477 15.3477 15.9561 15.9561 k = 0.2600-0.1501 0.2123 ( 2333 PWs) bands (ev): -29.5929 -29.5929 -11.2177 -11.2177 -11.2060 -11.2060 -10.6611 -10.6611 -9.2602 -9.2602 -9.2317 -9.2317 -8.2466 -8.2466 -8.2214 -8.2214 -8.2084 -8.2084 1.5618 1.5618 8.3861 8.3861 10.1155 10.1155 10.6146 10.6146 10.8619 10.8619 11.0730 11.0730 11.4615 11.4615 11.6461 11.6461 11.9879 11.9879 13.2217 13.2217 15.0327 15.0327 15.3490 15.3490 16.0230 16.0230 k = 0.2700-0.1559 0.2205 ( 2333 PWs) bands (ev): -29.5927 -29.5927 -11.2173 -11.2173 -11.2060 -11.2060 -10.6620 -10.6620 -9.2619 -9.2619 -9.2326 -9.2326 -8.2465 -8.2465 -8.2210 -8.2210 -8.2085 -8.2085 1.5919 1.5919 8.3374 8.3374 10.1103 10.1103 10.6202 10.6202 10.8383 10.8383 11.0818 11.0818 11.4405 11.4405 11.6206 11.6206 11.9639 11.9639 13.2085 13.2085 15.0674 15.0674 15.3503 15.3503 16.0830 16.0830 k = 0.2800-0.1617 0.2286 ( 2337 PWs) bands (ev): -29.5926 -29.5926 -11.2168 -11.2168 -11.2059 -11.2059 -10.6630 -10.6630 -9.2635 -9.2635 -9.2333 -9.2333 -8.2464 -8.2464 -8.2207 -8.2207 -8.2090 -8.2090 1.6210 1.6210 8.2936 8.2936 10.1054 10.1054 10.6254 10.6254 10.8144 10.8144 11.0906 11.0906 11.4204 11.4204 11.5968 11.5968 11.9422 11.9422 13.1965 13.1965 15.1010 15.1010 15.3516 15.3516 16.1356 16.1356 k = 0.2900-0.1674 0.2368 ( 2337 PWs) bands (ev): -29.5925 -29.5925 -11.2162 -11.2162 -11.2058 -11.2058 -10.6638 -10.6638 -9.2650 -9.2650 -9.2341 -9.2341 -8.2464 -8.2464 -8.2203 -8.2203 -8.2097 -8.2097 1.6491 1.6491 8.2545 8.2545 10.1009 10.1009 10.6298 10.6298 10.7906 10.7906 11.0990 11.0990 11.4010 11.4010 11.5749 11.5749 11.9229 11.9229 13.1855 13.1855 15.1331 15.1331 15.3529 15.3529 16.1805 16.1805 k = 0.3000-0.1732 0.2449 ( 2361 PWs) bands (ev): -29.5923 -29.5923 -11.2155 -11.2155 -11.2057 -11.2057 -10.6647 -10.6647 -9.2664 -9.2664 -9.2349 -9.2349 -8.2463 -8.2463 -8.2200 -8.2200 -8.2106 -8.2106 1.6759 1.6759 8.2203 8.2203 10.0965 10.0965 10.6331 10.6331 10.7675 10.7675 11.1070 11.1070 11.3820 11.3820 11.5545 11.5545 11.9058 11.9058 13.1756 13.1756 15.1634 15.1634 15.3541 15.3541 16.2175 16.2175 k = 0.3100-0.1790 0.2531 ( 2361 PWs) bands (ev): -29.5922 -29.5922 -11.2147 -11.2147 -11.2056 -11.2056 -10.6655 -10.6655 -9.2677 -9.2677 -9.2356 -9.2356 -8.2463 -8.2463 -8.2197 -8.2197 -8.2118 -8.2118 1.7015 1.7015 8.1910 8.1910 10.0925 10.0925 10.6349 10.6349 10.7460 10.7460 11.1145 11.1145 11.3636 11.3636 11.5358 11.5358 11.8910 11.8910 13.1667 13.1667 15.1911 15.1911 15.3555 15.3555 16.2470 16.2470 k = 0.3200-0.1848 0.2613 ( 2365 PWs) bands (ev): -29.5921 -29.5921 -11.2139 -11.2139 -11.2055 -11.2055 -10.6663 -10.6663 -9.2689 -9.2689 -9.2362 -9.2362 -8.2462 -8.2462 -8.2195 -8.2195 -8.2132 -8.2132 1.7257 1.7257 8.1664 8.1664 10.0888 10.0888 10.6342 10.6342 10.7271 10.7271 11.1214 11.1214 11.3457 11.3457 11.5185 11.5185 11.8782 11.8782 13.1587 13.1587 15.2157 15.2157 15.3568 15.3568 16.2691 16.2691 k = 0.3300-0.1905 0.2694 ( 2357 PWs) bands (ev): -29.5920 -29.5920 -11.2129 -11.2129 -11.2054 -11.2054 -10.6670 -10.6670 -9.2700 -9.2700 -9.2369 -9.2369 -8.2461 -8.2461 -8.2193 -8.2193 -8.2147 -8.2147 1.7484 1.7484 8.1464 8.1464 10.0854 10.0854 10.6297 10.6297 10.7124 10.7124 11.1272 11.1272 11.3285 11.3285 11.5026 11.5026 11.8675 11.8675 13.1517 13.1517 15.2366 15.2366 15.3581 15.3581 16.2844 16.2844 k = 0.3400-0.1963 0.2776 ( 2357 PWs) bands (ev): -29.5919 -29.5919 -11.2119 -11.2119 -11.2054 -11.2054 -10.6678 -10.6678 -9.2710 -9.2710 -9.2375 -9.2375 -8.2461 -8.2461 -8.2191 -8.2191 -8.2162 -8.2162 1.7697 1.7697 8.1307 8.1307 10.0824 10.0824 10.6203 10.6203 10.7028 10.7028 11.1318 11.1318 11.3121 11.3121 11.4881 11.4881 11.8586 11.8586 13.1455 13.1455 15.2530 15.2530 15.3594 15.3594 16.2935 16.2935 k = 0.3500-0.2021 0.2858 ( 2365 PWs) bands (ev): -29.5918 -29.5918 -11.2109 -11.2109 -11.2053 -11.2053 -10.6684 -10.6684 -9.2719 -9.2719 -9.2381 -9.2381 -8.2461 -8.2461 -8.2194 -8.2194 -8.2176 -8.2176 1.7894 1.7894 8.1193 8.1193 10.0796 10.0796 10.6066 10.6066 10.6981 10.6981 11.1344 11.1344 11.2968 11.2968 11.4747 11.4747 11.8514 11.8514 13.1401 13.1401 15.2646 15.2646 15.3607 15.3607 16.2972 16.2972 k = 0.3600-0.2078 0.2939 ( 2357 PWs) bands (ev): -29.5917 -29.5917 -11.2098 -11.2098 -11.2052 -11.2052 -10.6690 -10.6690 -9.2727 -9.2727 -9.2386 -9.2386 -8.2460 -8.2460 -8.2206 -8.2206 -8.2181 -8.2181 1.8077 1.8077 8.1116 8.1116 10.0772 10.0772 10.5906 10.5906 10.6966 10.6966 11.1348 11.1348 11.2835 11.2835 11.4627 11.4627 11.8458 11.8458 13.1354 13.1354 15.2707 15.2707 15.3619 15.3619 16.2964 16.2964 k = 0.3700-0.2136 0.3021 ( 2357 PWs) bands (ev): -29.5916 -29.5916 -11.2087 -11.2087 -11.2051 -11.2051 -10.6696 -10.6696 -9.2734 -9.2734 -9.2391 -9.2391 -8.2460 -8.2460 -8.2224 -8.2224 -8.2182 -8.2182 1.8243 1.8243 8.1075 8.1075 10.0751 10.0751 10.5734 10.5734 10.6968 10.6968 11.1323 11.1323 11.2725 11.2725 11.4516 11.4516 11.8416 11.8416 13.1314 13.1314 15.2713 15.2713 15.3630 15.3630 16.2920 16.2920 k = 0.3800-0.2194 0.3103 ( 2357 PWs) bands (ev): -29.5915 -29.5915 -11.2076 -11.2076 -11.2050 -11.2050 -10.6702 -10.6702 -9.2740 -9.2740 -9.2396 -9.2396 -8.2459 -8.2459 -8.2243 -8.2243 -8.2181 -8.2181 1.8395 1.8395 8.1064 8.1064 10.0734 10.0734 10.5562 10.5562 10.6979 10.6979 11.1265 11.1265 11.2645 11.2645 11.4417 11.4417 11.8386 11.8386 13.1281 13.1281 15.2664 15.2664 15.3639 15.3639 16.2847 16.2847 k = 0.3900-0.2252 0.3184 ( 2353 PWs) bands (ev): -29.5914 -29.5914 -11.2065 -11.2065 -11.2049 -11.2049 -10.6707 -10.6707 -9.2745 -9.2745 -9.2400 -9.2400 -8.2459 -8.2459 -8.2263 -8.2263 -8.2180 -8.2180 1.8532 1.8532 8.1080 8.1080 10.0720 10.0720 10.5397 10.5397 10.6994 10.6994 11.1176 11.1176 11.2594 11.2594 11.4327 11.4327 11.8367 11.8367 13.1253 13.1253 15.2564 15.2564 15.3648 15.3648 16.2756 16.2756 k = 0.4000-0.2309 0.3266 ( 2345 PWs) bands (ev): -29.5913 -29.5913 -11.2056 -11.2056 -11.2047 -11.2047 -10.6711 -10.6711 -9.2750 -9.2750 -9.2404 -9.2404 -8.2459 -8.2459 -8.2282 -8.2282 -8.2179 -8.2179 1.8654 1.8654 8.1118 8.1118 10.0709 10.0709 10.5240 10.5240 10.7011 10.7011 11.1059 11.1059 11.2570 11.2570 11.4248 11.4248 11.8356 11.8356 13.1230 13.1230 15.2420 15.2420 15.3656 15.3656 16.2654 16.2654 k = 0.4100-0.2367 0.3348 ( 2349 PWs) bands (ev): -29.5912 -29.5912 -11.2051 -11.2051 -11.2042 -11.2042 -10.6716 -10.6716 -9.2754 -9.2754 -9.2407 -9.2407 -8.2459 -8.2459 -8.2301 -8.2301 -8.2178 -8.2178 1.8763 1.8763 8.1173 8.1173 10.0701 10.0701 10.5095 10.5095 10.7026 10.7026 11.0924 11.0924 11.2564 11.2564 11.4177 11.4177 11.8353 11.8353 13.1211 13.1211 15.2242 15.2242 15.3664 15.3664 16.2546 16.2546 k = 0.4200-0.2425 0.3429 ( 2349 PWs) bands (ev): -29.5912 -29.5912 -11.2049 -11.2049 -11.2033 -11.2033 -10.6719 -10.6719 -9.2758 -9.2758 -9.2410 -9.2410 -8.2458 -8.2458 -8.2319 -8.2319 -8.2178 -8.2178 1.8858 1.8858 8.1240 8.1240 10.0695 10.0695 10.4962 10.4962 10.7041 10.7041 11.0780 11.0780 11.2571 11.2571 11.4115 11.4115 11.8355 11.8355 13.1197 13.1197 15.2043 15.2043 15.3671 15.3671 16.2440 16.2440 k = 0.4300-0.2483 0.3511 ( 2341 PWs) bands (ev): -29.5911 -29.5911 -11.2049 -11.2049 -11.2025 -11.2025 -10.6723 -10.6723 -9.2760 -9.2760 -9.2413 -9.2413 -8.2458 -8.2458 -8.2335 -8.2335 -8.2177 -8.2177 1.8940 1.8940 8.1314 8.1314 10.0693 10.0693 10.4844 10.4844 10.7054 10.7054 11.0635 11.0635 11.2587 11.2587 11.4061 11.4061 11.8361 11.8361 13.1185 13.1185 15.1833 15.1833 15.3677 15.3677 16.2340 16.2340 k = 0.4400-0.2540 0.3593 ( 2341 PWs) bands (ev): -29.5911 -29.5911 -11.2048 -11.2048 -11.2017 -11.2017 -10.6726 -10.6726 -9.2763 -9.2763 -9.2415 -9.2415 -8.2458 -8.2458 -8.2350 -8.2350 -8.2177 -8.2177 1.9010 1.9010 8.1389 8.1389 10.0691 10.0691 10.4740 10.4740 10.7065 10.7065 11.0494 11.0494 11.2606 11.2606 11.4015 11.4015 11.8370 11.8370 13.1177 13.1177 15.1626 15.1626 15.3682 15.3682 16.2249 16.2249 k = 0.4500-0.2598 0.3674 ( 2341 PWs) bands (ev): -29.5910 -29.5910 -11.2048 -11.2048 -11.2010 -11.2010 -10.6728 -10.6728 -9.2765 -9.2765 -9.2417 -9.2417 -8.2457 -8.2457 -8.2363 -8.2363 -8.2176 -8.2176 1.9068 1.9068 8.1463 8.1463 10.0692 10.0692 10.4652 10.4652 10.7074 10.7074 11.0366 11.0366 11.2625 11.2625 11.3977 11.3977 11.8379 11.8379 13.1170 13.1170 15.1432 15.1432 15.3687 15.3687 16.2172 16.2172 k = 0.4600-0.2656 0.3756 ( 2333 PWs) bands (ev): -29.5910 -29.5910 -11.2047 -11.2047 -11.2005 -11.2005 -10.6730 -10.6730 -9.2766 -9.2766 -9.2419 -9.2419 -8.2457 -8.2457 -8.2374 -8.2374 -8.2176 -8.2176 1.9115 1.9115 8.1529 8.1529 10.0693 10.0693 10.4579 10.4579 10.7082 10.7082 11.0254 11.0254 11.2644 11.2644 11.3946 11.3946 11.8389 11.8389 13.1166 13.1166 15.1260 15.1260 15.3691 15.3691 16.2111 16.2111 k = 0.4700-0.2714 0.3838 ( 2338 PWs) bands (ev): -29.5909 -29.5909 -11.2047 -11.2047 -11.2000 -11.2000 -10.6732 -10.6732 -9.2767 -9.2767 -9.2420 -9.2420 -8.2457 -8.2457 -8.2383 -8.2383 -8.2176 -8.2176 1.9151 1.9151 8.1585 8.1585 10.0694 10.0694 10.4523 10.4523 10.7087 10.7087 11.0161 11.0161 11.2660 11.2660 11.3921 11.3921 11.8397 11.8397 13.1163 13.1163 15.1119 15.1119 15.3694 15.3694 16.2067 16.2067 k = 0.4800-0.2771 0.3919 ( 2346 PWs) bands (ev): -29.5909 -29.5909 -11.2047 -11.2047 -11.1997 -11.1997 -10.6733 -10.6733 -9.2768 -9.2768 -9.2421 -9.2421 -8.2457 -8.2457 -8.2389 -8.2389 -8.2176 -8.2176 1.9176 1.9176 8.1628 8.1628 10.0696 10.0696 10.4482 10.4482 10.7090 10.7090 11.0093 11.0093 11.2672 11.2672 11.3904 11.3904 11.8403 11.8403 13.1160 13.1160 15.1014 15.1014 15.3696 15.3696 16.2042 16.2042 k = 0.4900-0.2829 0.4001 ( 2346 PWs) bands (ev): -29.5909 -29.5909 -11.2047 -11.2047 -11.1995 -11.1995 -10.6734 -10.6734 -9.2769 -9.2769 -9.2422 -9.2422 -8.2457 -8.2457 -8.2393 -8.2393 -8.2176 -8.2176 1.9191 1.9191 8.1654 8.1654 10.0697 10.0697 10.4457 10.4457 10.7092 10.7092 11.0052 11.0052 11.2679 11.2679 11.3894 11.3894 11.8407 11.8407 13.1159 13.1159 15.0949 15.0949 15.3698 15.3698 16.2032 16.2032 k = 0.5000-0.2887 0.4082 ( 2346 PWs) bands (ev): -29.5909 -29.5909 -11.2047 -11.2047 -11.1994 -11.1994 -10.6734 -10.6734 -9.2769 -9.2769 -9.2422 -9.2422 -8.2457 -8.2457 -8.2394 -8.2394 -8.2176 -8.2176 1.9196 1.9196 8.1663 8.1663 10.0697 10.0697 10.4449 10.4449 10.7093 10.7093 11.0038 11.0038 11.2682 11.2682 11.3890 11.3890 11.8409 11.8409 13.1159 13.1159 15.0927 15.0927 15.3698 15.3698 16.2030 16.2030 k = 0.5000-0.2887 0.4082 ( 2346 PWs) bands (ev): -29.5909 -29.5909 -11.2047 -11.2047 -11.1994 -11.1994 -10.6734 -10.6734 -9.2769 -9.2769 -9.2422 -9.2422 -8.2457 -8.2457 -8.2394 -8.2394 -8.2176 -8.2176 1.9196 1.9196 8.1663 8.1663 10.0697 10.0697 10.4449 10.4449 10.7093 10.7093 11.0038 11.0038 11.2682 11.2682 11.3890 11.3890 11.8409 11.8409 13.1159 13.1159 15.0927 15.0927 15.3698 15.3698 16.2030 16.2030 k = 0.5000-0.2771 0.4164 ( 2346 PWs) bands (ev): -29.5909 -29.5909 -11.2047 -11.2047 -11.1995 -11.1994 -10.6736 -10.6732 -9.2772 -9.2766 -9.2423 -9.2422 -8.2456 -8.2455 -8.2394 -8.2394 -8.2176 -8.2175 1.9200 1.9202 8.1598 8.1736 10.0501 10.0735 10.4412 10.4500 10.7110 10.7138 11.0026 11.0050 11.2645 11.2716 11.3880 11.3894 11.8377 11.8395 13.1098 13.1279 15.0985 15.1013 15.3727 15.3740 16.2013 16.2019 k = 0.5000-0.2656 0.4246 ( 2344 PWs) bands (ev): -29.5909 -29.5909 -11.2048 -11.2048 -11.1995 -11.1995 -10.6738 -10.6731 -9.2774 -9.2763 -9.2425 -9.2424 -8.2454 -8.2451 -8.2393 -8.2393 -8.2176 -8.2175 1.9214 1.9217 8.1541 8.1819 10.0160 10.0624 10.4386 10.4541 10.7200 10.7236 11.0016 11.0062 11.2606 11.2749 11.3861 11.3893 11.8302 11.8339 13.1097 13.1458 15.1176 15.1231 15.3834 15.3860 16.1956 16.1978 k = 0.5000-0.2540 0.4327 ( 2338 PWs) bands (ev): -29.5909 -29.5909 -11.2050 -11.2050 -11.1996 -11.1995 -10.6740 -10.6729 -9.2777 -9.2760 -9.2428 -9.2427 -8.2449 -8.2446 -8.2391 -8.2391 -8.2175 -8.2174 1.9236 1.9242 8.1491 8.1910 9.9704 10.0395 10.4350 10.4537 10.7365 10.7382 11.0010 11.0074 11.2564 11.2778 11.3832 11.3887 11.8191 11.8251 13.1155 13.1696 15.1471 15.1547 15.4040 15.4085 16.1828 16.1922 k = 0.5000-0.2425 0.4409 ( 2336 PWs) bands (ev): -29.5909 -29.5909 -11.2053 -11.2053 -11.1997 -11.1996 -10.6743 -10.6728 -9.2779 -9.2757 -9.2433 -9.2430 -8.2443 -8.2439 -8.2388 -8.2387 -8.2174 -8.2173 1.9268 1.9275 8.1449 8.2011 9.9164 10.0080 10.4281 10.4461 10.7567 10.7593 11.0008 11.0085 11.2520 11.2803 11.3790 11.3876 11.8056 11.8143 13.1273 13.1991 15.1816 15.1908 15.4385 15.4454 16.1643 16.1834 k = 0.5000-0.2309 0.4491 ( 2338 PWs) bands (ev): -29.5909 -29.5909 -11.2057 -11.2056 -11.1999 -11.1997 -10.6746 -10.6728 -9.2781 -9.2754 -9.2438 -9.2435 -8.2436 -8.2432 -8.2383 -8.2381 -8.2173 -8.2171 1.9309 1.9318 8.1414 8.2122 9.8568 9.9707 10.4164 10.4308 10.7781 10.7861 11.0014 11.0095 11.2471 11.2824 11.3736 11.3858 11.7912 11.8031 13.1452 13.2344 15.2151 15.2252 15.4911 15.5011 16.1407 16.1703 k = 0.5000-0.2194 0.4572 ( 2334 PWs) bands (ev): -29.5909 -29.5909 -11.2061 -11.2061 -11.2000 -11.1998 -10.6749 -10.6727 -9.2782 -9.2750 -9.2445 -9.2441 -8.2429 -8.2426 -8.2376 -8.2372 -8.2172 -8.2170 1.9357 1.9368 8.1384 8.2242 9.7935 9.9297 10.3993 10.4081 10.8015 10.8141 11.0032 11.0105 11.2418 11.2837 11.3668 11.3833 11.7772 11.7930 13.1693 13.2753 15.2437 15.2544 15.5632 15.5770 16.1124 16.1524 k = 0.5000-0.2078 0.4654 ( 2342 PWs) bands (ev): -29.5909 -29.5909 -11.2067 -11.2066 -11.2002 -11.2000 -10.6752 -10.6727 -9.2784 -9.2747 -9.2453 -9.2448 -8.2423 -8.2421 -8.2366 -8.2360 -8.2171 -8.2168 1.9413 1.9425 8.1361 8.2373 9.7279 9.8865 10.3767 10.3788 10.8257 10.8407 11.0066 11.0113 11.2361 11.2845 11.3588 11.3799 11.7647 11.7853 13.1996 13.3216 15.2671 15.2782 15.6524 15.6703 16.0792 16.1296 k = 0.5000-0.1963 0.4736 ( 2342 PWs) bands (ev): -29.5909 -29.5909 -11.2073 -11.2073 -11.2003 -11.2001 -10.6756 -10.6727 -9.2785 -9.2744 -9.2462 -9.2456 -8.2418 -8.2418 -8.2353 -8.2345 -8.2169 -8.2165 1.9475 1.9489 8.1342 8.2514 9.6610 9.8424 10.3438 10.3489 10.8499 10.8640 11.0122 11.0123 11.2298 11.2845 11.3500 11.3756 11.7545 11.7809 13.2365 13.3732 15.2866 15.2985 15.7526 15.7755 16.0416 16.1022 k = 0.5000-0.1848 0.4817 ( 2346 PWs) bands (ev): -29.5909 -29.5909 -11.2080 -11.2080 -11.2004 -11.2002 -10.6759 -10.6727 -9.2786 -9.2740 -9.2471 -9.2465 -8.2415 -8.2414 -8.2338 -8.2328 -8.2167 -8.2163 1.9543 1.9558 8.1328 8.2666 9.5936 9.7982 10.3042 10.3165 10.8732 10.8828 11.0132 11.0204 11.2231 11.2839 11.3409 11.3704 11.7470 11.7802 13.2798 13.4298 15.3039 15.3167 15.8546 15.8838 16.0011 16.0713 k = 0.5000-0.1732 0.4899 ( 2346 PWs) bands (ev): -29.5909 -29.5909 -11.2087 -11.2087 -11.2005 -11.2003 -10.6762 -10.6728 -9.2786 -9.2736 -9.2481 -9.2474 -8.2413 -8.2411 -8.2321 -8.2309 -8.2164 -8.2160 1.9615 1.9632 8.1318 8.2829 9.5265 9.7547 10.2607 10.2802 10.8951 10.8968 11.0143 11.0310 11.2161 11.2825 11.3319 11.3646 11.7421 11.7829 13.3298 13.4914 15.3200 15.3339 15.9226 15.9740 15.9819 16.0442 k = 0.5000-0.1617 0.4981 ( 2354 PWs) bands (ev): -29.5909 -29.5909 -11.2095 -11.2095 -11.2006 -11.2004 -10.6766 -10.6728 -9.2786 -9.2732 -9.2492 -9.2484 -8.2411 -8.2408 -8.2302 -8.2289 -8.2161 -8.2157 1.9691 1.9710 8.1310 8.3002 9.4600 9.7124 10.2144 10.2408 10.9064 10.9151 11.0156 11.0432 11.2088 11.2805 11.3234 11.3585 11.7395 11.7886 13.3863 13.5576 15.3355 15.3507 15.8869 15.9765 16.0394 16.0695 k = 0.5000-0.1501 0.5062 ( 2350 PWs) bands (ev): -29.5909 -29.5909 -11.2103 -11.2103 -11.2007 -11.2004 -10.6769 -10.6729 -9.2785 -9.2728 -9.2503 -9.2494 -8.2410 -8.2406 -8.2283 -8.2269 -8.2157 -8.2154 1.9769 1.9789 8.1306 8.3186 9.3946 9.6719 10.1662 10.1992 10.9129 10.9329 11.0174 11.0563 11.2017 11.2779 11.3157 11.3525 11.7390 11.7966 13.4492 13.6280 15.3506 15.3674 15.8305 15.9340 16.0837 16.0974 k = 0.5000-0.1386 0.5144 ( 2350 PWs) bands (ev): -29.5909 -29.5909 -11.2112 -11.2111 -11.2007 -11.2005 -10.6773 -10.6730 -9.2784 -9.2724 -9.2515 -9.2505 -8.2409 -8.2405 -8.2264 -8.2250 -8.2152 -8.2150 1.9849 1.9870 8.1303 8.3381 9.3307 9.6337 10.1170 10.1563 10.9170 10.9482 11.0197 11.0693 11.1950 11.2749 11.3088 11.3466 11.7401 11.8062 13.5182 13.7025 15.3655 15.3842 15.7676 15.8835 16.1066 16.1074 k = 0.5000-0.1270 0.5226 ( 2344 PWs) bands (ev): -29.5909 -29.5908 -11.2120 -11.2119 -11.2008 -11.2006 -10.6776 -10.6731 -9.2783 -9.2720 -9.2527 -9.2515 -8.2408 -8.2403 -8.2246 -8.2232 -8.2147 -8.2145 1.9928 1.9950 8.1301 8.3587 9.2685 9.5980 10.0677 10.1131 10.9196 10.9609 11.0227 11.0819 11.1888 11.2715 11.3027 11.3411 11.7423 11.8166 13.5931 13.7805 15.3797 15.4010 15.6999 15.8278 16.1066 16.1187 k = 0.5000-0.1155 0.5307 ( 2336 PWs) bands (ev): -29.5909 -29.5908 -11.2129 -11.2128 -11.2008 -11.2006 -10.6779 -10.6731 -9.2781 -9.2715 -9.2539 -9.2526 -8.2407 -8.2402 -8.2229 -8.2216 -8.2139 -8.2139 2.0005 2.0029 8.1300 8.3803 9.2083 9.5652 10.0192 10.0704 10.9212 10.9708 11.0265 11.0937 11.1835 11.2679 11.2975 11.3362 11.7453 11.8272 13.6735 13.8616 15.3928 15.4178 15.6282 15.7678 16.1020 16.1230 k = 0.5000-0.1039 0.5389 ( 2340 PWs) bands (ev): -29.5909 -29.5908 -11.2137 -11.2136 -11.2009 -11.2007 -10.6782 -10.6732 -9.2778 -9.2710 -9.2551 -9.2537 -8.2406 -8.2401 -8.2215 -8.2204 -8.2133 -8.2130 2.0080 2.0105 8.1300 8.4030 9.1503 9.5356 9.9723 10.0291 10.9221 10.9781 11.0309 11.1044 11.1791 11.2642 11.2928 11.3316 11.7487 11.8375 13.7589 13.9452 15.4021 15.4343 15.5553 15.7038 16.0947 16.1233 k = 0.5000-0.0924 0.5471 ( 2340 PWs) bands (ev): -29.5908 -29.5908 -11.2144 -11.2143 -11.2009 -11.2007 -10.6784 -10.6733 -9.2775 -9.2705 -9.2562 -9.2548 -8.2406 -8.2400 -8.2202 -8.2194 -8.2125 -8.2118 2.0151 2.0177 8.1299 8.4266 9.0948 9.5093 9.9277 9.9900 10.9225 10.9832 11.0356 11.1141 11.1757 11.2604 11.2887 11.3276 11.7523 11.8471 13.8487 14.0307 15.3963 15.4501 15.4926 15.6367 16.0858 16.1209 k = 0.5000-0.0808 0.5552 ( 2336 PWs) bands (ev): -29.5908 -29.5908 -11.2151 -11.2150 -11.2010 -11.2007 -10.6787 -10.6734 -9.2772 -9.2699 -9.2573 -9.2559 -8.2405 -8.2399 -8.2192 -8.2186 -8.2116 -8.2106 2.0217 2.0244 8.1298 8.4510 9.0420 9.4864 9.8863 9.9537 10.9228 10.9867 11.0402 11.1229 11.1732 11.2568 11.2851 11.3241 11.7559 11.8559 13.9424 14.1172 15.3462 15.4640 15.4695 15.5682 16.0760 16.1168 k = 0.5000-0.0693 0.5634 ( 2332 PWs) bands (ev): -29.5908 -29.5908 -11.2158 -11.2156 -11.2010 -11.2008 -10.6789 -10.6735 -9.2768 -9.2694 -9.2584 -9.2569 -8.2404 -8.2398 -8.2185 -8.2181 -8.2106 -8.2094 2.0277 2.0305 8.1297 8.4762 8.9921 9.4670 9.8486 9.9210 10.9229 10.9891 11.0443 11.1307 11.1715 11.2534 11.2821 11.3211 11.7593 11.8637 14.0395 14.2039 15.2651 15.4652 15.4727 15.5095 16.0658 16.1117 k = 0.5000-0.0577 0.5715 ( 2340 PWs) bands (ev): -29.5908 -29.5908 -11.2163 -11.2162 -11.2010 -11.2008 -10.6791 -10.6735 -9.2765 -9.2688 -9.2594 -9.2579 -8.2404 -8.2397 -8.2179 -8.2177 -8.2097 -8.2083 2.0329 2.0358 8.1296 8.5018 8.9456 9.4510 9.8153 9.8923 10.9228 10.9907 11.0478 11.1374 11.1705 11.2502 11.2794 11.3185 11.7623 11.8703 14.1393 14.2892 15.1740 15.4117 15.4813 15.5035 16.0558 16.1061 k = 0.5000-0.0462 0.5797 ( 2332 PWs) bands (ev): -29.5908 -29.5908 -11.2168 -11.2166 -11.2010 -11.2008 -10.6793 -10.6736 -9.2761 -9.2682 -9.2602 -9.2589 -8.2404 -8.2397 -8.2175 -8.2174 -8.2088 -8.2073 2.0373 2.0403 8.1295 8.5273 8.9030 9.4384 9.7870 9.8682 10.9228 10.9918 11.0507 11.1432 11.1700 11.2473 11.2773 11.3164 11.7649 11.8758 14.2412 14.3712 15.0782 15.3423 15.4904 15.5132 16.0465 16.1006 k = 0.5000-0.0346 0.5879 ( 2334 PWs) bands (ev): -29.5908 -29.5908 -11.2172 -11.2170 -11.2011 -11.2008 -10.6794 -10.6736 -9.2758 -9.2677 -9.2610 -9.2597 -8.2403 -8.2396 -8.2172 -8.2172 -8.2081 -8.2064 2.0408 2.0438 8.1293 8.5518 8.8651 9.4289 9.7643 9.8490 10.9226 10.9925 11.0527 11.1476 11.1699 11.2450 11.2755 11.3147 11.7670 11.8801 14.3443 14.4467 14.9794 15.2755 15.4982 15.5225 16.0386 16.0956 k = 0.5000-0.0231 0.5960 ( 2334 PWs) bands (ev): -29.5908 -29.5908 -11.2174 -11.2173 -11.2011 -11.2008 -10.6795 -10.6737 -9.2756 -9.2672 -9.2615 -9.2604 -8.2403 -8.2396 -8.2171 -8.2170 -8.2076 -8.2058 2.0434 2.0464 8.1292 8.5735 8.8339 9.4224 9.7476 9.8351 10.9226 10.9929 11.0541 11.1510 11.1700 11.2432 11.2742 11.3136 11.7685 11.8832 14.4478 14.5106 14.8790 15.2175 15.5043 15.5297 16.0325 16.0917 k = 0.5000-0.0115 0.6042 ( 2334 PWs) bands (ev): -29.5908 -29.5908 -11.2176 -11.2174 -11.2011 -11.2008 -10.6795 -10.6737 -9.2754 -9.2668 -9.2619 -9.2609 -8.2403 -8.2396 -8.2170 -8.2169 -8.2073 -8.2055 2.0450 2.0480 8.1291 8.5893 8.8123 9.4185 9.7375 9.8266 10.9225 10.9931 11.0550 11.1530 11.1701 11.2421 11.2735 11.3129 11.7695 11.8850 14.5485 14.5552 14.7801 15.1764 15.5081 15.5343 16.0287 16.0892 k = 0.5000-0.0000 0.6124 ( 2328 PWs) bands (ev): -29.5908 -29.5908 -11.2177 -11.2175 -11.2011 -11.2008 -10.6795 -10.6737 -9.2753 -9.2667 -9.2620 -9.2610 -8.2403 -8.2396 -8.2170 -8.2169 -8.2072 -8.2053 2.0455 2.0485 8.1291 8.5953 8.8044 9.4173 9.7340 9.8238 10.9226 10.9933 11.0553 11.1538 11.1701 11.2417 11.2733 11.3127 11.7698 11.8856 14.5716 14.6166 14.7125 15.1612 15.5094 15.5358 16.0273 16.0883 k = 0.5000-0.0000 0.6124 ( 2328 PWs) bands (ev): -29.5908 -29.5908 -11.2177 -11.2175 -11.2011 -11.2008 -10.6795 -10.6737 -9.2753 -9.2667 -9.2620 -9.2610 -8.2403 -8.2396 -8.2170 -8.2169 -8.2072 -8.2053 2.0455 2.0485 8.1291 8.5953 8.8044 9.4173 9.7340 9.8238 10.9226 10.9933 11.0553 11.1538 11.1701 11.2417 11.2733 11.3127 11.7698 11.8856 14.5716 14.6166 14.7125 15.1612 15.5094 15.5358 16.0273 16.0883 k = 0.4931 0.0120 0.6124 ( 2334 PWs) bands (ev): -29.5908 -29.5908 -11.2176 -11.2175 -11.2011 -11.2009 -10.6795 -10.6737 -9.2754 -9.2668 -9.2619 -9.2609 -8.2403 -8.2395 -8.2170 -8.2169 -8.2072 -8.2054 2.0453 2.0483 8.1281 8.5920 8.8067 9.4170 9.7369 9.8260 10.9228 10.9934 11.0554 11.1537 11.1703 11.2421 11.2734 11.3128 11.7695 11.8852 14.5636 14.5764 14.7521 15.1667 15.5125 15.5378 16.0281 16.0886 k = 0.4861 0.0241 0.6124 ( 2338 PWs) bands (ev): -29.5908 -29.5908 -11.2176 -11.2174 -11.2012 -11.2009 -10.6795 -10.6737 -9.2755 -9.2671 -9.2617 -9.2607 -8.2402 -8.2394 -8.2170 -8.2169 -8.2073 -8.2055 2.0446 2.0477 8.1254 8.5837 8.8120 9.4161 9.7457 9.8327 10.9235 10.9938 11.0560 11.1538 11.1708 11.2432 11.2739 11.3134 11.7688 11.8841 14.5071 14.5408 14.8189 15.1829 15.5221 15.5443 16.0302 16.0895 k = 0.4792 0.0361 0.6124 ( 2338 PWs) bands (ev): -29.5908 -29.5908 -11.2175 -11.2173 -11.2013 -11.2010 -10.6795 -10.6737 -9.2757 -9.2675 -9.2613 -9.2603 -8.2399 -8.2392 -8.2171 -8.2170 -8.2074 -8.2057 2.0436 2.0467 8.1210 8.5725 8.8176 9.4141 9.7602 9.8438 10.9248 10.9945 11.0572 11.1543 11.1718 11.2452 11.2747 11.3142 11.7676 11.8821 14.4329 14.5045 14.8899 15.2083 15.5383 15.5561 16.0331 16.0903 k = 0.4722 0.0481 0.6124 ( 2334 PWs) bands (ev): -29.5908 -29.5908 -11.2173 -11.2172 -11.2014 -11.2012 -10.6794 -10.6736 -9.2760 -9.2679 -9.2609 -9.2598 -8.2397 -8.2389 -8.2172 -8.2171 -8.2076 -8.2059 2.0424 2.0455 8.1152 8.5601 8.8221 9.4109 9.7800 9.8589 10.9266 10.9955 11.0592 11.1553 11.1731 11.2477 11.2757 11.3153 11.7658 11.8790 14.3572 14.4580 14.9617 15.2406 15.5600 15.5746 16.0363 16.0909 k = 0.4653 0.0601 0.6124 ( 2339 PWs) bands (ev): -29.5908 -29.5908 -11.2172 -11.2170 -11.2016 -11.2013 -10.6793 -10.6736 -9.2763 -9.2684 -9.2604 -9.2592 -8.2393 -8.2385 -8.2173 -8.2172 -8.2079 -8.2062 2.0409 2.0440 8.1083 8.5475 8.8246 9.4067 9.8042 9.8776 10.9289 10.9966 11.0620 11.1569 11.1746 11.2507 11.2768 11.3165 11.7636 11.8749 14.2813 14.4043 15.0334 15.2776 15.5854 15.6014 16.0394 16.0908 k = 0.4583 0.0722 0.6124 ( 2335 PWs) bands (ev): -29.5909 -29.5908 -11.2170 -11.2168 -11.2019 -11.2015 -10.6793 -10.6736 -9.2766 -9.2688 -9.2599 -9.2587 -8.2388 -8.2381 -8.2175 -8.2173 -8.2082 -8.2066 2.0393 2.0424 8.1005 8.5352 8.8249 9.4017 9.8319 9.8991 10.9318 10.9979 11.0662 11.1595 11.1763 11.2541 11.2781 11.3179 11.7609 11.8695 14.2064 14.3459 15.1044 15.3177 15.6139 15.6368 16.0421 16.0897 k = 0.4514 0.0842 0.6124 ( 2333 PWs) bands (ev): -29.5909 -29.5908 -11.2168 -11.2166 -11.2021 -11.2018 -10.6792 -10.6735 -9.2770 -9.2693 -9.2594 -9.2581 -8.2383 -8.2376 -8.2177 -8.2175 -8.2085 -8.2070 2.0376 2.0407 8.0922 8.5236 8.8233 9.3960 9.8621 9.9225 10.9351 10.9994 11.0717 11.1633 11.1780 11.2576 11.2796 11.3193 11.7577 11.8627 14.1335 14.2850 15.1744 15.3599 15.6465 15.6787 16.0442 16.0873 k = 0.4444 0.0962 0.6124 ( 2331 PWs) bands (ev): -29.5909 -29.5908 -11.2165 -11.2164 -11.2024 -11.2020 -10.6791 -10.6735 -9.2773 -9.2697 -9.2588 -9.2576 -8.2378 -8.2370 -8.2180 -8.2177 -8.2088 -8.2074 2.0358 2.0389 8.0836 8.5129 8.8200 9.3900 9.8935 9.9471 10.9387 11.0009 11.0788 11.1682 11.1796 11.2612 11.2813 11.3208 11.7541 11.8545 14.0634 14.2235 15.2429 15.4035 15.6835 15.7257 16.0456 16.0833 k = 0.4375 0.1083 0.6124 ( 2333 PWs) bands (ev): -29.5909 -29.5908 -11.2162 -11.2161 -11.2027 -11.2023 -10.6790 -10.6735 -9.2777 -9.2701 -9.2583 -9.2571 -8.2371 -8.2364 -8.2184 -8.2179 -8.2091 -8.2079 2.0341 2.0372 8.0750 8.5030 8.8155 9.3839 9.9251 9.9718 10.9423 11.0024 11.0875 11.1745 11.1810 11.2647 11.2832 11.3221 11.7501 11.8448 13.9971 14.1627 15.3096 15.4481 15.7245 15.7766 16.0465 16.0776 k = 0.4306 0.1203 0.6124 ( 2337 PWs) bands (ev): -29.5909 -29.5909 -11.2160 -11.2159 -11.2030 -11.2025 -10.6789 -10.6735 -9.2780 -9.2705 -9.2578 -9.2566 -8.2365 -8.2357 -8.2187 -8.2181 -8.2094 -8.2083 2.0324 2.0355 8.0667 8.4942 8.8103 9.3778 9.9558 9.9961 10.9459 11.0039 11.0977 11.1818 11.1829 11.2679 11.2855 11.3232 11.7459 11.8336 13.9354 14.1041 15.3743 15.4931 15.7681 15.8303 16.0477 16.0703 k = 0.4236 0.1323 0.6124 ( 2345 PWs) bands (ev): -29.5909 -29.5909 -11.2157 -11.2156 -11.2034 -11.2028 -10.6789 -10.6734 -9.2783 -9.2708 -9.2574 -9.2562 -8.2358 -8.2350 -8.2192 -8.2184 -8.2097 -8.2087 2.0308 2.0339 8.0589 8.4864 8.8048 9.3721 9.9847 10.0189 10.9493 11.0053 11.1090 11.1829 11.1924 11.2708 11.2880 11.3239 11.7415 11.8210 13.8791 14.0489 15.4366 15.5383 15.8120 15.8852 16.0509 16.0619 k = 0.4167 0.1443 0.6124 ( 2335 PWs) bands (ev): -29.5909 -29.5909 -11.2154 -11.2153 -11.2037 -11.2031 -10.6788 -10.6734 -9.2786 -9.2711 -9.2569 -9.2558 -8.2351 -8.2343 -8.2196 -8.2187 -8.2100 -8.2091 2.0293 2.0325 8.0517 8.4796 8.7993 9.3669 10.0112 10.0400 10.9525 11.0066 11.1209 11.1834 11.2043 11.2733 11.2910 11.3243 11.7373 11.8073 13.8290 13.9983 15.4963 15.5829 15.8515 15.9386 16.0532 16.0613 k = 0.4097 0.1564 0.6124 ( 2338 PWs) bands (ev): -29.5909 -29.5909 -11.2151 -11.2151 -11.2040 -11.2033 -10.6787 -10.6734 -9.2788 -9.2713 -9.2566 -9.2555 -8.2344 -8.2337 -8.2201 -8.2190 -8.2102 -8.2095 2.0280 2.0312 8.0454 8.4739 8.7942 9.3622 10.0345 10.0585 10.9551 11.0077 11.1324 11.1833 11.2180 11.2754 11.2941 11.3238 11.7335 11.7929 13.7857 13.9531 15.5530 15.6261 15.8792 15.9802 16.0558 16.0826 k = 0.4028 0.1684 0.6124 ( 2335 PWs) bands (ev): -29.5909 -29.5909 -11.2149 -11.2148 -11.2042 -11.2036 -10.6787 -10.6733 -9.2790 -9.2715 -9.2563 -9.2552 -8.2337 -8.2331 -8.2205 -8.2194 -8.2105 -8.2098 2.0269 2.0301 8.0401 8.4692 8.7896 9.3583 10.0541 10.0741 10.9572 11.0086 11.1430 11.1827 11.2333 11.2772 11.2972 11.3223 11.7304 11.7784 13.7497 13.9144 15.6063 15.6669 15.8901 15.9902 16.0867 16.1211 k = 0.3958 0.1804 0.6124 ( 2334 PWs) bands (ev): -29.5909 -29.5909 -11.2147 -11.2147 -11.2044 -11.2038 -10.6786 -10.6733 -9.2791 -9.2717 -9.2560 -9.2550 -8.2331 -8.2326 -8.2209 -8.2197 -8.2106 -8.2100 2.0260 2.0292 8.0358 8.4655 8.7859 9.3552 10.0697 10.0865 10.9589 11.0093 11.1522 11.1815 11.2490 11.2790 11.2999 11.3194 11.7284 11.7645 13.7214 13.8833 15.6554 15.7039 15.8859 15.9803 16.1326 16.1733 k = 0.3889 0.1925 0.6124 ( 2329 PWs) bands (ev): -29.5909 -29.5909 -11.2146 -11.2145 -11.2046 -11.2039 -10.6786 -10.6733 -9.2793 -9.2718 -9.2558 -9.2548 -8.2326 -8.2322 -8.2213 -8.2200 -8.2108 -8.2102 2.0254 2.0286 8.0327 8.4629 8.7831 9.3529 10.0810 10.0955 10.9602 11.0099 11.1598 11.1796 11.2630 11.2818 11.3020 11.3149 11.7280 11.7522 13.7011 13.8603 15.6988 15.7349 15.8720 15.9663 16.1759 16.2314 k = 0.3819 0.2045 0.6124 ( 2329 PWs) bands (ev): -29.5909 -29.5909 -11.2145 -11.2144 -11.2047 -11.2040 -10.6786 -10.6733 -9.2793 -9.2719 -9.2557 -9.2547 -8.2322 -8.2320 -8.2215 -8.2202 -8.2108 -8.2103 2.0250 2.0282 8.0308 8.4613 8.7814 9.3515 10.0878 10.1010 10.9609 11.0102 11.1656 11.1772 11.2713 11.2881 11.3028 11.3089 11.7296 11.7424 13.6889 13.8463 15.7328 15.7565 15.8548 15.9545 16.2077 16.2843 k = 0.3750 0.2165 0.6124 ( 2329 PWs) bands (ev): -29.5909 -29.5909 -11.2145 -11.2144 -11.2048 -11.2040 -10.6786 -10.6733 -9.2793 -9.2719 -9.2557 -9.2547 -8.2320 -8.2320 -8.2215 -8.2202 -8.2109 -8.2103 2.0248 2.0281 8.0302 8.4608 8.7809 9.3510 10.0901 10.1028 10.9611 11.0103 11.1684 11.1756 11.2733 11.2955 11.2997 11.3060 11.7319 11.7371 13.6848 13.8416 15.7475 15.7645 15.8456 15.9498 16.2197 16.3096 k = 0.3750 0.2165 0.6124 ( 2329 PWs) bands (ev): -29.5909 -29.5909 -11.2145 -11.2144 -11.2048 -11.2040 -10.6786 -10.6733 -9.2793 -9.2719 -9.2557 -9.2547 -8.2320 -8.2320 -8.2215 -8.2202 -8.2109 -8.2103 2.0248 2.0281 8.0302 8.4608 8.7809 9.3510 10.0901 10.1028 10.9611 11.0103 11.1684 11.1756 11.2733 11.2955 11.2997 11.3060 11.7319 11.7371 13.6848 13.8416 15.7475 15.7645 15.8456 15.9498 16.2197 16.3096 k = 0.3678 0.2123 0.6006 ( 2329 PWs) bands (ev): -29.5909 -29.5909 -11.2153 -11.2153 -11.2053 -11.2045 -10.6788 -10.6734 -9.2794 -9.2719 -9.2564 -9.2555 -8.2315 -8.2314 -8.2203 -8.2191 -8.2092 -8.2088 2.0317 2.0351 8.0096 8.4842 8.7061 9.3247 10.0565 10.0727 10.9633 11.0138 11.1735 11.1915 11.2664 11.2973 11.3010 11.3266 11.7387 11.7454 13.7546 13.9135 15.7125 15.7261 15.8131 15.9306 16.2204 16.3267 k = 0.3606 0.2082 0.5888 ( 2325 PWs) bands (ev): -29.5909 -29.5909 -11.2162 -11.2161 -11.2058 -11.2049 -10.6789 -10.6734 -9.2794 -9.2719 -9.2570 -9.2562 -8.2310 -8.2308 -8.2193 -8.2181 -8.2073 -8.2070 2.0377 2.0413 7.9872 8.4986 8.6453 9.3048 10.0240 10.0436 10.9654 11.0174 11.1708 11.2122 11.2600 11.2943 11.3024 11.3529 11.7469 11.7549 13.8286 13.9895 15.6735 15.6846 15.7801 15.9076 16.2141 16.3292 k = 0.3534 0.2040 0.5770 ( 2329 PWs) bands (ev): -29.5910 -29.5909 -11.2171 -11.2170 -11.2063 -11.2054 -10.6791 -10.6734 -9.2795 -9.2721 -9.2574 -9.2567 -8.2305 -8.2302 -8.2184 -8.2174 -8.2052 -8.2051 2.0427 2.0464 7.9636 8.4844 8.6185 9.2912 9.9929 10.0156 10.9673 11.0209 11.1678 11.2296 11.2539 11.2896 11.3080 11.3780 11.7562 11.7654 13.9070 14.0698 15.6313 15.6406 15.7468 15.8816 16.2035 16.3233 k = 0.3462 0.1999 0.5653 ( 2317 PWs) bands (ev): -29.5910 -29.5910 -11.2179 -11.2179 -11.2068 -11.2059 -10.6791 -10.6734 -9.2795 -9.2723 -9.2576 -9.2571 -8.2301 -8.2297 -8.2178 -8.2168 -8.2031 -8.2031 2.0464 2.0502 7.9393 8.4378 8.6299 9.2839 9.9633 9.9890 10.9693 11.0245 11.1648 11.2430 11.2482 11.2851 11.3165 11.4016 11.7668 11.7769 13.9898 14.1545 15.5866 15.5945 15.7134 15.8534 16.1903 16.3122 k = 0.3389 0.1957 0.5535 ( 2315 PWs) bands (ev): -29.5910 -29.5910 -11.2188 -11.2187 -11.2072 -11.2063 -10.6792 -10.6733 -9.2796 -9.2726 -9.2577 -9.2574 -8.2297 -8.2292 -8.2172 -8.2163 -8.2011 -8.2010 2.0487 2.0527 7.9149 8.3813 8.6574 9.2825 9.9355 9.9641 10.9711 11.0280 11.1620 11.2427 11.2521 11.2811 11.3278 11.4236 11.7785 11.7894 14.0768 14.2435 15.5398 15.5465 15.6799 15.8234 16.1757 16.2979 k = 0.3317 0.1915 0.5417 ( 2315 PWs) bands (ev): -29.5910 -29.5910 -11.2195 -11.2195 -11.2077 -11.2068 -10.6791 -10.6733 -9.2796 -9.2730 -9.2576 -9.2576 -8.2294 -8.2287 -8.2168 -8.2159 -8.1991 -8.1989 2.0494 2.0535 7.8913 8.3253 8.6909 9.2866 9.9096 9.9410 10.9727 11.0313 11.1593 11.2373 11.2578 11.2774 11.3410 11.4439 11.7912 11.8028 14.1678 14.3369 15.4913 15.4970 15.6467 15.7919 16.1604 16.2813 k = 0.3245 0.1874 0.5299 ( 2323 PWs) bands (ev): -29.5911 -29.5911 -11.2203 -11.2202 -11.2082 -11.2072 -10.6791 -10.6732 -9.2797 -9.2734 -9.2576 -9.2573 -8.2291 -8.2284 -8.2164 -8.2156 -8.1972 -8.1969 2.0484 2.0525 7.8691 8.2730 8.7275 9.2959 9.8860 9.9200 10.9740 11.0343 11.1569 11.2320 11.2611 11.2740 11.3550 11.4625 11.8049 11.8171 14.2627 14.4347 15.4415 15.4461 15.6140 15.7592 16.1447 16.2631 k = 0.3173 0.1832 0.5182 ( 2325 PWs) bands (ev): -29.5911 -29.5911 -11.2210 -11.2210 -11.2086 -11.2076 -10.6789 -10.6730 -9.2797 -9.2737 -9.2575 -9.2569 -8.2288 -8.2280 -8.2161 -8.2153 -8.1953 -8.1950 2.0454 2.0496 7.8490 8.2256 8.7662 9.3098 9.8648 9.9011 10.9751 11.0369 11.1550 11.2269 11.2629 11.2711 11.3691 11.4795 11.8196 11.8323 14.3610 14.5367 15.3905 15.3941 15.5821 15.7257 16.1289 16.2436 k = 0.3101 0.1790 0.5064 ( 2329 PWs) bands (ev): -29.5912 -29.5912 -11.2217 -11.2216 -11.2091 -11.2080 -10.6787 -10.6728 -9.2796 -9.2740 -9.2572 -9.2564 -8.2287 -8.2277 -8.2158 -8.2151 -8.1936 -8.1933 2.0405 2.0447 7.8319 8.1837 8.8066 9.3277 9.8463 9.8846 10.9760 11.0391 11.1535 11.2219 11.2638 11.2685 11.3827 11.4950 11.8353 11.8484 14.4621 14.6427 15.3387 15.3412 15.5516 15.6915 16.1129 16.2232 k = 0.3029 0.1749 0.4946 ( 2329 PWs) bands (ev): -29.5912 -29.5912 -11.2223 -11.2222 -11.2095 -11.2084 -10.6784 -10.6726 -9.2796 -9.2743 -9.2568 -9.2558 -8.2285 -8.2275 -8.2156 -8.2149 -8.1921 -8.1917 2.0334 2.0376 7.8181 8.1479 8.8484 9.3491 9.8308 9.8707 10.9765 11.0407 11.1525 11.2170 11.2642 11.2664 11.3956 11.5091 11.8521 11.8654 14.5650 14.7526 15.2865 15.2875 15.5231 15.6569 16.0967 16.2018 k = 0.2957 0.1707 0.4828 ( 2325 PWs) bands (ev): -29.5913 -29.5913 -11.2228 -11.2228 -11.2099 -11.2088 -10.6781 -10.6723 -9.2794 -9.2745 -9.2563 -9.2551 -8.2284 -8.2274 -8.2155 -8.2147 -8.1907 -8.1903 2.0240 2.0282 7.8084 8.1183 8.8914 9.3734 9.8185 9.8595 10.9767 11.0416 11.1522 11.2123 11.2642 11.2645 11.4076 11.5218 11.8698 11.8832 14.6681 14.8657 15.2334 15.2344 15.4977 15.6222 16.0802 16.1794 k = 0.2885 0.1665 0.4711 ( 2329 PWs) bands (ev): -29.5914 -29.5913 -11.2233 -11.2233 -11.2102 -11.2091 -10.6777 -10.6720 -9.2792 -9.2746 -9.2557 -9.2544 -8.2284 -8.2272 -8.2154 -8.2147 -8.1895 -8.1891 2.0123 2.0165 7.8031 8.0952 8.9354 9.3999 9.8099 9.8511 10.9765 11.0416 11.1524 11.2078 11.2627 11.2643 11.4186 11.5332 11.8885 11.9019 14.7685 14.9807 15.1799 15.1833 15.4769 15.5877 16.0634 16.1558 k = 0.2812 0.1624 0.4593 ( 2333 PWs) bands (ev): -29.5914 -29.5914 -11.2237 -11.2237 -11.2105 -11.2094 -10.6772 -10.6716 -9.2788 -9.2746 -9.2550 -9.2535 -8.2284 -8.2272 -8.2154 -8.2146 -8.1885 -8.1881 1.9983 2.0024 7.8027 8.0787 8.9803 9.4279 9.8053 9.8458 10.9758 11.0407 11.1532 11.2036 11.2609 11.2644 11.4287 11.5436 11.9081 11.9215 14.8601 15.0833 15.1357 15.1402 15.4638 15.5539 16.0461 16.1311 k = 0.2740 0.1582 0.4475 ( 2341 PWs) bands (ev): -29.5915 -29.5915 -11.2240 -11.2240 -11.2108 -11.2097 -10.6766 -10.6712 -9.2784 -9.2744 -9.2542 -9.2526 -8.2285 -8.2272 -8.2154 -8.2147 -8.1877 -8.1873 1.9819 1.9859 7.8075 8.0690 9.0258 9.4566 9.8053 9.8436 10.9747 11.0390 11.1544 11.1998 11.2591 11.2648 11.4381 11.5531 11.9287 11.9419 14.9289 15.0600 15.0998 15.2258 15.4634 15.5221 16.0284 16.1047 k = 0.2668 0.1541 0.4357 ( 2341 PWs) bands (ev): -29.5916 -29.5916 -11.2243 -11.2243 -11.2111 -11.2100 -10.6760 -10.6707 -9.2779 -9.2741 -9.2532 -9.2517 -8.2286 -8.2273 -8.2155 -8.2147 -8.1871 -8.1868 1.9631 1.9670 7.8177 8.0659 9.0717 9.4851 9.8105 9.8448 10.9734 11.0364 11.1560 11.1967 11.2572 11.2657 11.4467 11.5619 11.9504 11.9632 14.9472 15.0064 15.0947 15.3337 15.4827 15.4977 16.0109 16.0761 k = 0.2596 0.1499 0.4240 ( 2341 PWs) bands (ev): -29.5917 -29.5917 -11.2245 -11.2245 -11.2113 -11.2102 -10.6753 -10.6702 -9.2772 -9.2737 -9.2523 -9.2507 -8.2288 -8.2274 -8.2156 -8.2149 -8.1867 -8.1864 1.9421 1.9458 7.8335 8.0697 9.1179 9.5126 9.8214 9.8493 10.9718 11.0331 11.1574 11.1946 11.2550 11.2670 11.4548 11.5702 11.9730 11.9853 14.9177 14.9511 15.1105 15.3971 15.5147 15.5253 15.9951 16.0446 k = 0.2524 0.1457 0.4122 ( 2337 PWs) bands (ev): -29.5918 -29.5918 -11.2246 -11.2246 -11.2115 -11.2104 -10.6745 -10.6696 -9.2764 -9.2731 -9.2512 -9.2497 -8.2290 -8.2276 -8.2158 -8.2151 -8.1866 -8.1863 1.9188 1.9224 7.8549 8.0800 9.1641 9.5385 9.8385 9.8575 10.9699 11.0291 11.1581 11.1941 11.2527 11.2690 11.4624 11.5781 11.9966 12.0083 14.8715 14.8956 15.1173 15.3865 15.5837 15.5923 15.9847 16.0088 k = 0.2452 0.1416 0.4004 ( 2337 PWs) bands (ev): -29.5919 -29.5919 -11.2247 -11.2246 -11.2116 -11.2106 -10.6737 -10.6689 -9.2754 -9.2724 -9.2501 -9.2486 -8.2292 -8.2278 -8.2160 -8.2153 -8.1867 -8.1865 1.8933 1.8968 7.8821 8.0970 9.2102 9.5623 9.8618 9.8692 10.9679 11.0245 11.1578 11.1955 11.2502 11.2714 11.4698 11.5860 12.0212 12.0321 14.8205 14.8403 15.1109 15.3557 15.6377 15.6583 15.9691 15.9839 k = 0.2380 0.1374 0.3886 ( 2341 PWs) bands (ev): -29.5920 -29.5920 -11.2247 -11.2246 -11.2118 -11.2108 -10.6728 -10.6682 -9.2744 -9.2716 -9.2490 -9.2475 -8.2295 -8.2281 -8.2163 -8.2156 -8.1871 -8.1868 1.8658 1.8691 7.9149 8.1203 9.2559 9.5841 9.8846 9.8908 10.9657 11.0194 11.1562 11.1990 11.2474 11.2745 11.4772 11.5940 12.0469 12.0568 14.7679 14.7853 15.0950 15.3197 15.6613 15.6793 15.9309 15.9788 k = 0.2308 0.1332 0.3768 ( 2345 PWs) bands (ev): -29.5921 -29.5921 -11.2246 -11.2245 -11.2119 -11.2109 -10.6719 -10.6675 -9.2731 -9.2706 -9.2478 -9.2463 -8.2299 -8.2285 -8.2166 -8.2160 -8.1876 -8.1875 1.8364 1.8395 7.9534 8.1499 9.3010 9.6044 9.9037 9.9247 10.9636 11.0141 11.1535 11.2043 11.2443 11.2781 11.4847 11.6025 12.0735 12.0822 14.7149 14.7309 15.0728 15.2802 15.6399 15.6572 15.8990 15.9502 k = 0.2236 0.1291 0.3651 ( 2343 PWs) bands (ev): -29.5922 -29.5922 -11.2244 -11.2243 -11.2119 -11.2110 -10.6708 -10.6667 -9.2718 -9.2694 -9.2465 -9.2451 -8.2303 -8.2289 -8.2170 -8.2164 -8.1885 -8.1883 1.8053 1.8082 7.9973 8.1854 9.3454 9.6237 9.9263 9.9627 10.9617 11.0087 11.1501 11.2113 11.2409 11.2826 11.4925 11.6117 12.1011 12.1086 14.6619 14.6772 15.0460 15.2366 15.5844 15.6104 15.8699 15.9112 k = 0.2163 0.1249 0.3533 ( 2347 PWs) bands (ev): -29.5923 -29.5923 -11.2241 -11.2241 -11.2119 -11.2110 -10.6698 -10.6659 -9.2703 -9.2681 -9.2452 -9.2439 -8.2307 -8.2293 -8.2175 -8.2169 -8.1895 -8.1894 1.7726 1.7753 8.0466 8.2267 9.3891 9.6427 9.9522 10.0035 10.9601 11.0033 11.1461 11.2197 11.2373 11.2878 11.5011 11.6219 12.1297 12.1357 14.6095 14.6243 15.0151 15.1877 15.5124 15.5534 15.8392 15.8710 k = 0.2091 0.1207 0.3415 ( 2347 PWs) bands (ev): -29.5924 -29.5924 -11.2238 -11.2237 -11.2119 -11.2111 -10.6687 -10.6650 -9.2687 -9.2667 -9.2439 -9.2427 -8.2312 -8.2298 -8.2179 -8.2174 -8.1908 -8.1907 1.7385 1.7411 8.1009 8.2733 9.4320 9.6621 9.9810 10.0461 10.9589 10.9980 11.1417 11.2295 11.2333 11.2940 11.5105 11.6335 12.1594 12.1637 14.5577 14.5724 14.9798 15.1321 15.4351 15.4954 15.8061 15.8309 k = 0.2019 0.1166 0.3297 ( 2347 PWs) bands (ev): -29.5926 -29.5926 -11.2234 -11.2233 -11.2119 -11.2111 -10.6675 -10.6641 -9.2669 -9.2651 -9.2426 -9.2414 -8.2317 -8.2303 -8.2185 -8.2179 -8.1922 -8.1922 1.7033 1.7057 8.1601 8.3250 9.4742 9.6822 10.0125 10.0894 10.9583 10.9930 11.1370 11.2290 11.2408 11.3012 11.5212 11.6470 12.1900 12.1924 14.5068 14.5216 14.9395 15.0691 15.3584 15.4414 15.7711 15.7906 k = 0.1947 0.1124 0.3180 ( 2347 PWs) bands (ev): -29.5927 -29.5927 -11.2230 -11.2229 -11.2118 -11.2111 -10.6663 -10.6631 -9.2650 -9.2634 -9.2412 -9.2401 -8.2323 -8.2309 -8.2190 -8.2185 -8.1939 -8.1939 1.6671 1.6693 8.2238 8.3813 9.5158 9.7034 10.0459 10.1327 10.9584 10.9884 11.1320 11.2243 11.2537 11.3098 11.5333 11.6626 12.2216 12.2220 14.4571 14.4722 14.8929 14.9988 15.2863 15.3939 15.7347 15.7497 k = 0.1875 0.1083 0.3062 ( 2343 PWs) bands (ev): -29.5928 -29.5928 -11.2225 -11.2224 -11.2117 -11.2110 -10.6651 -10.6621 -9.2630 -9.2615 -9.2398 -9.2389 -8.2329 -8.2316 -8.2196 -8.2191 -8.1958 -8.1958 1.6302 1.6321 8.2917 8.4419 9.5570 9.7259 10.0806 10.1751 10.9594 10.9843 11.1268 11.2192 11.2682 11.3199 11.5473 11.6808 12.2522 12.2541 14.4085 14.4242 14.8394 14.9225 15.2210 15.3531 15.6973 15.7076 k = 0.1803 0.1041 0.2944 ( 2339 PWs) bands (ev): -29.5930 -29.5930 -11.2219 -11.2218 -11.2116 -11.2109 -10.6638 -10.6611 -9.2609 -9.2596 -9.2384 -9.2376 -8.2335 -8.2322 -8.2202 -8.2197 -8.1978 -8.1978 1.5927 1.5945 8.3634 8.5062 9.5980 9.7499 10.1159 10.2158 10.9612 10.9807 11.1213 11.2137 11.2848 11.3320 11.5634 11.7021 12.2832 12.2876 14.3614 14.3779 14.7787 14.8421 15.1637 15.3182 15.6593 15.6643 k = 0.1731 0.0999 0.2826 ( 2339 PWs) bands (ev): -29.5931 -29.5931 -11.2213 -11.2212 -11.2114 -11.2108 -10.6625 -10.6600 -9.2587 -9.2575 -9.2370 -9.2363 -8.2341 -8.2330 -8.2208 -8.2204 -8.2001 -8.2000 1.5549 1.5565 8.4385 8.5738 9.6390 9.7756 10.1510 10.2541 10.9639 10.9777 11.1155 11.2077 11.3035 11.3466 11.5819 11.7269 12.3148 12.3219 14.3158 14.3334 14.7118 14.7592 15.1139 15.2882 15.6196 15.6211 k = 0.1659 0.0958 0.2709 ( 2345 PWs) bands (ev): -29.5932 -29.5932 -11.2206 -11.2205 -11.2112 -11.2107 -10.6613 -10.6590 -9.2564 -9.2554 -9.2357 -9.2350 -8.2348 -8.2337 -8.2215 -8.2211 -8.2024 -8.2023 1.5169 1.5184 8.5164 8.6441 9.6802 9.8029 10.1852 10.2895 10.9674 10.9751 11.1092 11.2011 11.3246 11.3640 11.6031 11.7556 12.3469 12.3570 14.2718 14.2909 14.6401 14.6753 15.0707 15.2620 15.5734 15.5829 k = 0.1587 0.0916 0.2591 ( 2335 PWs) bands (ev): -29.5934 -29.5934 -11.2199 -11.2198 -11.2110 -11.2106 -10.6599 -10.6579 -9.2541 -9.2531 -9.2343 -9.2336 -8.2356 -8.2345 -8.2221 -8.2218 -8.2049 -8.2048 1.4791 1.4803 8.5968 8.7166 9.7218 9.8320 10.2178 10.3216 10.9715 10.9730 11.1028 11.1942 11.3484 11.3852 11.6275 11.7887 12.3796 12.3928 14.2298 14.2506 14.5657 14.5916 15.0323 15.2389 15.5257 15.5450 k = 0.1514 0.0874 0.2473 ( 2335 PWs) bands (ev): -29.5935 -29.5935 -11.2192 -11.2191 -11.2108 -11.2104 -10.6586 -10.6568 -9.2517 -9.2508 -9.2329 -9.2323 -8.2363 -8.2353 -8.2228 -8.2224 -8.2075 -8.2074 1.4415 1.4426 8.6789 8.7906 9.7640 9.8628 10.2482 10.3501 10.9711 10.9759 11.0959 11.1865 11.3752 11.4104 11.6551 11.8265 12.4127 12.4291 14.1896 14.2127 14.4900 14.5090 14.9974 15.2183 15.4764 15.5078 k = 0.1442 0.0833 0.2355 ( 2325 PWs) bands (ev): -29.5936 -29.5936 -11.2184 -11.2183 -11.2106 -11.2103 -10.6573 -10.6557 -9.2492 -9.2485 -9.2315 -9.2311 -8.2371 -8.2362 -8.2234 -8.2231 -8.2102 -8.2101 1.4044 1.4053 8.7623 8.8656 9.8069 9.8953 10.2761 10.3749 10.9693 10.9805 11.0887 11.1784 11.4051 11.4404 11.6864 11.8691 12.4460 12.4659 14.1516 14.1774 14.4144 14.4282 14.9649 15.1996 15.4255 15.4716 k = 0.1370 0.0791 0.2238 ( 2325 PWs) bands (ev): -29.5938 -29.5938 -11.2177 -11.2176 -11.2104 -11.2101 -10.6561 -10.6546 -9.2467 -9.2461 -9.2302 -9.2298 -8.2379 -8.2371 -8.2241 -8.2238 -8.2129 -8.2128 1.3679 1.3687 8.8462 8.9408 9.8504 9.9294 10.3011 10.3962 10.9675 10.9847 11.0809 11.1696 11.4384 11.4757 11.7216 11.9167 12.4794 12.5029 14.1156 14.1449 14.3399 14.3498 14.9339 15.1826 15.3731 15.4366 k = 0.1298 0.0749 0.2120 ( 2325 PWs) bands (ev): -29.5939 -29.5939 -11.2169 -11.2168 -11.2102 -11.2099 -10.6548 -10.6535 -9.2442 -9.2437 -9.2289 -9.2285 -8.2387 -8.2380 -8.2247 -8.2245 -8.2157 -8.2155 1.3322 1.3330 8.9299 9.0155 9.8946 9.9651 10.3232 10.4142 10.9654 10.9883 11.0726 11.1601 11.4751 11.5165 11.7608 11.9692 12.5128 12.5400 14.0819 14.1152 14.2675 14.2742 14.9037 15.1669 15.3190 15.4030 k = 0.1226 0.0708 0.2002 ( 2319 PWs) bands (ev): -29.5940 -29.5940 -11.2161 -11.2160 -11.2099 -11.2097 -10.6536 -10.6525 -9.2417 -9.2413 -9.2276 -9.2273 -8.2395 -8.2389 -8.2253 -8.2252 -8.2185 -8.2183 1.2976 1.2982 9.0127 9.0892 9.9395 10.0023 10.3425 10.4292 10.9631 10.9912 11.0639 11.1500 11.5157 11.5630 11.8043 12.0263 12.5460 12.5769 14.0502 14.0883 14.1978 14.2022 14.8742 15.1522 15.2634 15.3710 k = 0.1154 0.0666 0.1884 ( 2323 PWs) bands (ev): -29.5942 -29.5942 -11.2153 -11.2152 -11.2097 -11.2095 -10.6524 -10.6514 -9.2392 -9.2389 -9.2263 -9.2261 -8.2404 -8.2398 -8.2260 -8.2258 -8.2213 -8.2211 1.2641 1.2646 9.0939 9.1611 9.9848 10.0408 10.3593 10.4417 10.9603 10.9929 11.0546 11.1391 11.5602 11.6153 11.8521 12.0876 12.5787 12.6132 14.0204 14.0634 14.1317 14.1350 14.8451 15.1382 15.2063 15.3407 k = 0.1082 0.0625 0.1766 ( 2327 PWs) bands (ev): -29.5943 -29.5943 -11.2145 -11.2144 -11.2094 -11.2093 -10.6512 -10.6504 -9.2368 -9.2365 -9.2251 -9.2250 -8.2412 -8.2407 -8.2266 -8.2266 -8.2239 -8.2238 1.2319 1.2323 9.1726 9.2306 10.0304 10.0805 10.3738 10.4521 10.9570 10.9934 11.0449 11.1276 11.6090 11.6731 11.9043 12.1526 12.6108 12.6488 13.9916 14.0354 14.0702 14.0781 14.8166 15.1241 15.1485 15.3122 k = 0.1010 0.0583 0.1649 ( 2327 PWs) bands (ev): -29.5944 -29.5944 -11.2137 -11.2136 -11.2092 -11.2091 -10.6501 -10.6494 -9.2344 -9.2342 -9.2240 -9.2239 -8.2420 -8.2416 -8.2277 -8.2276 -8.2261 -8.2261 1.2011 1.2014 9.2481 9.2972 10.0759 10.1210 10.3864 10.4607 10.9533 10.9929 11.0347 11.1155 11.6623 11.7362 11.9609 12.2207 12.6420 12.6833 13.9613 13.9903 14.0162 14.0457 14.7889 15.0857 15.1139 15.2853 k = 0.0938 0.0541 0.1531 ( 2329 PWs) bands (ev): -29.5945 -29.5945 -11.2129 -11.2128 -11.2090 -11.2089 -10.6490 -10.6485 -9.2321 -9.2319 -9.2229 -9.2228 -8.2429 -8.2424 -8.2298 -8.2296 -8.2273 -8.2272 1.1719 1.1722 9.3198 9.3604 10.1212 10.1620 10.3975 10.4681 10.9492 10.9913 11.0240 11.1027 11.7203 11.8041 12.0218 12.2908 12.6722 12.7163 13.9244 13.9364 13.9749 14.0298 14.7628 15.0254 15.1002 15.2600 k = 0.0865 0.0500 0.1413 ( 2333 PWs) bands (ev): -29.5946 -29.5946 -11.2122 -11.2121 -11.2087 -11.2087 -10.6480 -10.6476 -9.2299 -9.2297 -9.2219 -9.2218 -8.2437 -8.2433 -8.2323 -8.2321 -8.2279 -8.2278 1.1444 1.1446 9.3870 9.4196 10.1656 10.2031 10.4074 10.4744 10.9447 10.9887 11.0130 11.0893 11.7832 11.8760 12.0870 12.3622 12.7012 12.7475 13.8808 13.8839 13.9462 14.0197 14.7388 14.9642 15.0869 15.2359 k = 0.0793 0.0458 0.1295 ( 2333 PWs) bands (ev): -29.5947 -29.5947 -11.2115 -11.2114 -11.2085 -11.2085 -10.6471 -10.6467 -9.2278 -9.2277 -9.2209 -9.2208 -8.2444 -8.2441 -8.2347 -8.2345 -8.2284 -8.2283 1.1186 1.1188 9.4492 9.4746 10.2088 10.2439 10.4166 10.4801 10.9401 10.9852 11.0019 11.0754 11.8511 11.9510 12.1566 12.4336 12.7288 12.7766 13.8351 13.8369 13.9237 14.0125 14.7180 14.9035 15.0728 15.2124 k = 0.0721 0.0416 0.1178 ( 2333 PWs) bands (ev): -29.5948 -29.5948 -11.2108 -11.2107 -11.2083 -11.2083 -10.6462 -10.6459 -9.2258 -9.2257 -9.2200 -9.2199 -8.2451 -8.2449 -8.2370 -8.2368 -8.2288 -8.2287 1.0948 1.0949 9.5060 9.5252 10.2505 10.2836 10.4253 10.4854 10.9354 10.9809 10.9907 11.0610 11.9237 12.0278 12.2307 12.5039 12.7551 12.8033 13.7907 13.7962 13.9034 14.0063 14.7014 14.8451 15.0575 15.1888 k = 0.0649 0.0375 0.1060 ( 2333 PWs) bands (ev): -29.5949 -29.5949 -11.2102 -11.2101 -11.2081 -11.2081 -10.6454 -10.6452 -9.2239 -9.2238 -9.2191 -9.2191 -8.2458 -8.2456 -8.2392 -8.2390 -8.2292 -8.2291 1.0730 1.0731 9.5571 9.5711 10.2900 10.3218 10.4338 10.4902 10.9307 10.9760 10.9796 11.0463 12.0006 12.1047 12.3095 12.5717 12.7802 12.8275 13.7512 13.7601 13.8837 13.9985 14.6903 14.7914 15.0400 15.1640 k = 0.0577 0.0333 0.0942 ( 2333 PWs) bands (ev): -29.5950 -29.5950 -11.2096 -11.2096 -11.2080 -11.2080 -10.6446 -10.6445 -9.2222 -9.2222 -9.2184 -9.2184 -8.2465 -8.2463 -8.2411 -8.2409 -8.2295 -8.2295 1.0532 1.0533 9.6025 9.6123 10.3271 10.3577 10.4422 10.4947 10.9263 10.9689 10.9705 11.0313 12.0808 12.1797 12.3930 12.6353 12.8043 12.8492 13.7169 13.7292 13.8633 13.9861 14.6856 14.7456 15.0196 15.1361 k = 0.0505 0.0291 0.0824 ( 2333 PWs) bands (ev): -29.5951 -29.5951 -11.2091 -11.2090 -11.2078 -11.2078 -10.6440 -10.6439 -9.2207 -9.2206 -9.2177 -9.2177 -8.2470 -8.2469 -8.2429 -8.2428 -8.2299 -8.2298 1.0356 1.0357 9.6422 9.6486 10.3615 10.3908 10.4505 10.4988 10.9223 10.9588 10.9646 11.0162 12.1631 12.2511 12.4806 12.6934 12.8279 12.8683 13.6880 13.7036 13.8417 13.9658 14.6881 14.7113 14.9953 15.1028 k = 0.0433 0.0250 0.0707 ( 2345 PWs) bands (ev): -29.5951 -29.5951 -11.2086 -11.2086 -11.2077 -11.2077 -10.6434 -10.6434 -9.2193 -9.2193 -9.2171 -9.2171 -8.2475 -8.2474 -8.2445 -8.2444 -8.2301 -8.2301 1.0202 1.0203 9.6760 9.6800 10.3926 10.4203 10.4589 10.5022 10.9188 10.9496 10.9584 11.0012 12.2452 12.3172 12.5707 12.7447 12.8512 12.8849 13.6649 13.6834 13.8185 13.9347 14.6919 14.6981 14.9662 15.0610 k = 0.0361 0.0208 0.0589 ( 2349 PWs) bands (ev): -29.5952 -29.5952 -11.2082 -11.2082 -11.2076 -11.2076 -10.6430 -10.6429 -9.2181 -9.2181 -9.2166 -9.2166 -8.2480 -8.2479 -8.2459 -8.2457 -8.2304 -8.2304 1.0071 1.0071 9.7043 9.7065 10.4203 10.4457 10.4672 10.5049 10.9164 10.9417 10.9521 10.9865 12.3241 12.3769 12.6608 12.7894 12.8739 12.8992 13.6477 13.6680 13.7939 13.8924 14.6886 14.7150 14.9323 15.0095 k = 0.0288 0.0167 0.0471 ( 2349 PWs) bands (ev): -29.5952 -29.5952 -11.2079 -11.2079 -11.2075 -11.2075 -10.6426 -10.6425 -9.2172 -9.2172 -9.2162 -9.2162 -8.2483 -8.2483 -8.2470 -8.2469 -8.2305 -8.2305 0.9963 0.9963 9.7271 9.7282 10.4443 10.4666 10.4754 10.5067 10.9153 10.9353 10.9461 10.9725 12.3958 12.4289 12.7469 12.8289 12.8950 12.9113 13.6368 13.6566 13.7682 13.8414 14.7004 14.7374 14.8952 14.9508 k = 0.0216 0.0125 0.0353 ( 2349 PWs) bands (ev): -29.5952 -29.5952 -11.2076 -11.2076 -11.2074 -11.2074 -10.6422 -10.6422 -9.2164 -9.2164 -9.2158 -9.2158 -8.2486 -8.2486 -8.2479 -8.2478 -8.2307 -8.2307 0.9879 0.9879 9.7446 9.7450 10.4643 10.4825 10.4831 10.5073 10.9158 10.9308 10.9405 10.9594 12.4557 12.4720 12.8236 12.8652 12.9126 12.9212 13.6322 13.6482 13.7423 13.7872 14.7236 14.7624 14.8580 14.8923 k = 0.0144 0.0083 0.0236 ( 2343 PWs) bands (ev): -29.5953 -29.5953 -11.2074 -11.2074 -11.2073 -11.2073 -10.6420 -10.6420 -9.2158 -9.2158 -9.2156 -9.2156 -8.2488 -8.2488 -8.2485 -8.2484 -8.2308 -8.2308 0.9818 0.9818 9.7569 9.7571 10.4801 10.4902 10.4932 10.5065 10.9181 10.9283 10.9355 10.9475 12.4996 12.5050 12.8845 12.8986 12.9254 12.9289 13.6336 13.6428 13.7174 13.7371 14.7527 14.7851 14.8257 14.8432 k = 0.0072 0.0042 0.0118 ( 2343 PWs) bands (ev): -29.5953 -29.5953 -11.2073 -11.2073 -11.2073 -11.2073 -10.6419 -10.6419 -9.2155 -9.2155 -9.2154 -9.2154 -8.2490 -8.2489 -8.2489 -8.2488 -8.2309 -8.2309 0.9782 0.9782 9.7643 9.7643 10.4915 10.4959 10.4986 10.5038 10.9224 10.9276 10.9315 10.9372 12.5254 12.5261 12.9229 12.9247 12.9329 12.9338 13.6391 13.6414 13.6962 13.6999 14.7801 14.7989 14.8039 14.8106 k = 0.0000 0.0000 0.0000 ( 2397 PWs) bands (ev): -29.5953 -29.5953 -11.2073 -11.2073 -11.2073 -11.2073 -10.6419 -10.6419 -9.2154 -9.2154 -9.2154 -9.2154 -8.2490 -8.2490 -8.2490 -8.2490 -8.2309 -8.2309 0.9770 0.9770 9.7665 9.7665 10.4988 10.4988 10.4988 10.4988 10.9284 10.9284 10.9284 10.9284 12.5336 12.5336 12.9354 12.9354 12.9354 12.9354 13.6427 13.6427 13.6857 13.6857 14.7975 14.7975 14.7975 14.7975 k = 0.0000 0.0000 0.0000 ( 2397 PWs) bands (ev): -29.5953 -29.5953 -11.2073 -11.2073 -11.2073 -11.2073 -10.6419 -10.6419 -9.2154 -9.2154 -9.2154 -9.2154 -8.2490 -8.2490 -8.2490 -8.2490 -8.2309 -8.2309 0.9770 0.9770 9.7665 9.7665 10.4988 10.4988 10.4988 10.4988 10.9284 10.9284 10.9284 10.9284 12.5336 12.5336 12.9354 12.9354 12.9354 12.9354 13.6427 13.6427 13.6857 13.6857 14.7975 14.7975 14.7975 14.7975 k = 0.0116 0.0067 0.0047 ( 2337 PWs) bands (ev): -29.5953 -29.5953 -11.2073 -11.2073 -11.2073 -11.2073 -10.6419 -10.6419 -9.2155 -9.2155 -9.2154 -9.2154 -8.2489 -8.2489 -8.2489 -8.2489 -8.2309 -8.2309 0.9782 0.9782 9.7644 9.7644 10.4917 10.4972 10.4972 10.5039 10.9223 10.9296 10.9296 10.9374 12.5260 12.5260 12.9238 12.9238 12.9335 12.9342 13.6403 13.6403 13.6977 13.6977 14.7790 14.7989 14.8078 14.8078 k = 0.0233 0.0134 0.0095 ( 2340 PWs) bands (ev): -29.5953 -29.5953 -11.2074 -11.2074 -11.2074 -11.2074 -10.6420 -10.6420 -9.2158 -9.2158 -9.2156 -9.2156 -8.2487 -8.2487 -8.2486 -8.2485 -8.2308 -8.2308 0.9817 0.9817 9.7573 9.7573 10.4819 10.4914 10.4914 10.5057 10.9180 10.9318 10.9318 10.9477 12.5027 12.5027 12.8917 12.8917 12.9283 12.9295 13.6377 13.6377 13.7265 13.7265 14.7475 14.7834 14.8376 14.8376 k = 0.0349 0.0201 0.0142 ( 2340 PWs) bands (ev): -29.5952 -29.5952 -11.2075 -11.2075 -11.2075 -11.2075 -10.6422 -10.6422 -9.2163 -9.2163 -9.2159 -9.2158 -8.2484 -8.2484 -8.2481 -8.2480 -8.2307 -8.2307 0.9876 0.9876 9.7455 9.7455 10.4700 10.4818 10.4818 10.5046 10.9160 10.9354 10.9354 10.9595 12.4635 12.4635 12.8464 12.8464 12.9200 12.9216 13.6378 13.6378 13.7642 13.7642 14.7090 14.7561 14.8852 14.8852 k = 0.0465 0.0269 0.0190 ( 2340 PWs) bands (ev): -29.5952 -29.5952 -11.2077 -11.2077 -11.2077 -11.2076 -10.6425 -10.6425 -9.2170 -9.2170 -9.2162 -9.2162 -8.2480 -8.2480 -8.2474 -8.2473 -8.2305 -8.2305 0.9959 0.9959 9.7290 9.7290 10.4562 10.4683 10.4683 10.5004 10.9164 10.9403 10.9403 10.9725 12.4088 12.4088 12.7953 12.7953 12.9086 12.9104 13.6403 13.6403 13.8058 13.8058 14.6684 14.7229 14.9476 14.9476 k = 0.0581 0.0336 0.0237 ( 2346 PWs) bands (ev): -29.5952 -29.5952 -11.2079 -11.2079 -11.2079 -11.2078 -10.6429 -10.6429 -9.2180 -9.2180 -9.2167 -9.2167 -8.2474 -8.2474 -8.2465 -8.2463 -8.2304 -8.2304 1.0064 1.0064 9.7078 9.7078 10.4409 10.4510 10.4510 10.4933 10.9189 10.9463 10.9463 10.9862 12.3401 12.3401 12.7435 12.7435 12.8942 12.8958 13.6444 13.6444 13.8484 13.8484 14.6287 14.6880 15.0213 15.0213 k = 0.0698 0.0403 0.0285 ( 2346 PWs) bands (ev): -29.5951 -29.5951 -11.2082 -11.2082 -11.2081 -11.2081 -10.6434 -10.6434 -9.2191 -9.2191 -9.2172 -9.2172 -8.2468 -8.2468 -8.2454 -8.2452 -8.2301 -8.2301 1.0192 1.0192 9.6818 9.6818 10.4244 10.4299 10.4299 10.4837 10.9234 10.9533 10.9533 11.0005 12.2605 12.2605 12.6935 12.6935 12.8771 12.8781 13.6497 13.6497 13.8906 13.8906 14.5921 14.6544 15.1028 15.1028 k = 0.0814 0.0470 0.0332 ( 2340 PWs) bands (ev): -29.5951 -29.5951 -11.2085 -11.2085 -11.2084 -11.2083 -10.6439 -10.6439 -9.2203 -9.2203 -9.2179 -9.2178 -8.2460 -8.2460 -8.2440 -8.2438 -8.2299 -8.2299 1.0343 1.0343 9.6510 9.6510 10.4050 10.4050 10.4069 10.4717 10.9295 10.9611 10.9611 11.0152 12.1738 12.1738 12.6457 12.6457 12.8574 12.8574 13.6560 13.6560 13.9318 13.9318 14.5597 14.6238 15.1893 15.1893 k = 0.0930 0.0537 0.0380 ( 2340 PWs) bands (ev): -29.5950 -29.5950 -11.2088 -11.2088 -11.2088 -11.2087 -10.6445 -10.6445 -9.2218 -9.2218 -9.2186 -9.2186 -8.2451 -8.2451 -8.2426 -8.2423 -8.2296 -8.2296 1.0516 1.0516 9.6154 9.6154 10.3765 10.3765 10.3885 10.4577 10.9370 10.9694 10.9694 11.0299 12.0835 12.0835 12.5999 12.5999 12.8338 12.8352 13.6629 13.6629 13.9720 13.9720 14.5323 14.5972 15.2789 15.2789 k = 0.1047 0.0604 0.0427 ( 2334 PWs) bands (ev): -29.5949 -29.5949 -11.2092 -11.2092 -11.2091 -11.2090 -10.6452 -10.6452 -9.2234 -9.2234 -9.2194 -9.2193 -8.2441 -8.2441 -8.2409 -8.2406 -8.2292 -8.2292 1.0710 1.0710 9.5747 9.5747 10.3445 10.3445 10.3695 10.4420 10.9454 10.9781 10.9781 11.0446 11.9928 11.9928 12.5558 12.5558 12.8076 12.8109 13.6704 13.6704 14.0115 14.0115 14.5102 14.5753 15.3710 15.3710 k = 0.1163 0.0671 0.0475 ( 2334 PWs) bands (ev): -29.5948 -29.5948 -11.2096 -11.2096 -11.2095 -11.2094 -10.6460 -10.6460 -9.2252 -9.2252 -9.2203 -9.2202 -8.2430 -8.2430 -8.2391 -8.2388 -8.2288 -8.2288 1.0925 1.0925 9.5290 9.5290 10.3092 10.3092 10.3500 10.4248 10.9544 10.9869 10.9869 11.0589 11.9039 11.9039 12.5132 12.5132 12.7792 12.7846 13.6786 13.6786 14.0505 14.0505 14.4937 14.5583 15.4652 15.4652 k = 0.1279 0.0738 0.0522 ( 2337 PWs) bands (ev): -29.5947 -29.5947 -11.2101 -11.2101 -11.2100 -11.2098 -10.6468 -10.6468 -9.2271 -9.2271 -9.2212 -9.2212 -8.2418 -8.2418 -8.2371 -8.2368 -8.2284 -8.2284 1.1160 1.1160 9.4780 9.4780 10.2709 10.2709 10.3301 10.4065 10.9639 10.9957 10.9957 11.0727 11.8185 11.8185 12.4720 12.4720 12.7488 12.7568 13.6874 13.6874 14.0893 14.0893 14.4828 14.5464 15.5616 15.5616 k = 0.1395 0.0806 0.0570 ( 2337 PWs) bands (ev): -29.5946 -29.5946 -11.2106 -11.2106 -11.2104 -11.2103 -10.6477 -10.6477 -9.2292 -9.2292 -9.2223 -9.2222 -8.2406 -8.2406 -8.2350 -8.2346 -8.2279 -8.2279 1.1414 1.1414 9.4217 9.4217 10.2303 10.2303 10.3100 10.3872 10.9734 11.0041 11.0041 11.0860 11.7381 11.7381 12.4323 12.4323 12.7169 12.7277 13.6968 13.6968 14.1283 14.1283 14.4774 14.5397 15.6604 15.6604 k = 0.1512 0.0873 0.0617 ( 2337 PWs) bands (ev): -29.5945 -29.5945 -11.2111 -11.2111 -11.2109 -11.2108 -10.6487 -10.6487 -9.2314 -9.2314 -9.2233 -9.2233 -8.2393 -8.2393 -8.2327 -8.2324 -8.2274 -8.2274 1.1687 1.1687 9.3600 9.3600 10.1877 10.1877 10.2896 10.3672 10.9829 11.0121 11.0121 11.0986 11.6634 11.6634 12.3941 12.3941 12.6838 12.6976 13.7068 13.7068 14.1677 14.1677 14.4774 14.5381 15.7616 15.7616 k = 0.1628 0.0940 0.0665 ( 2334 PWs) bands (ev): -29.5944 -29.5944 -11.2117 -11.2117 -11.2114 -11.2113 -10.6497 -10.6497 -9.2337 -9.2337 -9.2245 -9.2244 -8.2380 -8.2380 -8.2304 -8.2300 -8.2268 -8.2268 1.1978 1.1978 9.2931 9.2931 10.1437 10.1437 10.2692 10.3466 10.9922 11.0195 11.0195 11.1103 11.5948 11.5948 12.3577 12.3577 12.6500 12.6670 13.7177 13.7177 14.2078 14.2078 14.4825 14.5415 15.8651 15.8651 k = 0.1744 0.1007 0.0712 ( 2334 PWs) bands (ev): -29.5943 -29.5943 -11.2123 -11.2123 -11.2120 -11.2118 -10.6508 -10.6508 -9.2360 -9.2360 -9.2256 -9.2256 -8.2366 -8.2366 -8.2279 -8.2275 -8.2261 -8.2261 1.2285 1.2285 9.2209 9.2209 10.0989 10.0989 10.2489 10.3257 11.0011 11.0260 11.0260 11.1212 11.5326 11.5326 12.3231 12.3231 12.6159 12.6361 13.7293 13.7293 14.2486 14.2486 14.4926 14.5496 15.9707 15.9707 k = 0.1860 0.1074 0.0760 ( 2337 PWs) bands (ev): -29.5942 -29.5942 -11.2129 -11.2129 -11.2126 -11.2124 -10.6519 -10.6519 -9.2385 -9.2385 -9.2268 -9.2268 -8.2352 -8.2352 -8.2254 -8.2254 -8.2253 -8.2250 1.2608 1.2608 9.1438 9.1438 10.0539 10.0539 10.2286 10.3045 11.0094 11.0316 11.0316 11.1309 11.4767 11.4767 12.2904 12.2904 12.5817 12.6051 13.7418 13.7418 14.2905 14.2905 14.5074 14.5623 16.0780 16.0780 k = 0.1977 0.1141 0.0807 ( 2331 PWs) bands (ev): -29.5941 -29.5941 -11.2135 -11.2135 -11.2131 -11.2129 -10.6530 -10.6530 -9.2410 -9.2410 -9.2281 -9.2280 -8.2338 -8.2338 -8.2247 -8.2247 -8.2227 -8.2223 1.2944 1.2944 9.0622 9.0622 10.0093 10.0093 10.2084 10.2831 11.0173 11.0361 11.0361 11.1397 11.4269 11.4269 12.2598 12.2598 12.5480 12.5745 13.7553 13.7553 14.3334 14.3334 14.5266 14.5794 16.1865 16.1865 k = 0.2093 0.1208 0.0854 ( 2334 PWs) bands (ev): -29.5939 -29.5939 -11.2141 -11.2141 -11.2137 -11.2135 -10.6542 -10.6542 -9.2436 -9.2436 -9.2293 -9.2293 -8.2324 -8.2324 -8.2238 -8.2238 -8.2200 -8.2196 1.3294 1.3294 8.9767 8.9767 9.9653 9.9653 10.1885 10.2617 11.0244 11.0393 11.0393 11.1472 11.3830 11.3830 12.2313 12.2313 12.5150 12.5445 13.7697 13.7697 14.3776 14.3776 14.5500 14.6007 16.2957 16.2957 k = 0.2209 0.1276 0.0902 ( 2340 PWs) bands (ev): -29.5938 -29.5938 -11.2148 -11.2148 -11.2143 -11.2141 -10.6554 -10.6554 -9.2462 -9.2462 -9.2306 -9.2306 -8.2311 -8.2311 -8.2229 -8.2229 -8.2173 -8.2169 1.3656 1.3656 8.8878 8.8878 9.9224 9.9224 10.1688 10.2403 11.0307 11.0410 11.0410 11.1534 11.3447 11.3447 12.2049 12.2049 12.4830 12.5151 13.7852 13.7852 14.4230 14.4230 14.5774 14.6258 16.4045 16.4045 k = 0.2326 0.1343 0.0949 ( 2337 PWs) bands (ev): -29.5937 -29.5937 -11.2154 -11.2154 -11.2149 -11.2147 -10.6566 -10.6566 -9.2488 -9.2488 -9.2319 -9.2318 -8.2299 -8.2299 -8.2219 -8.2219 -8.2145 -8.2141 1.4028 1.4028 8.7962 8.7962 9.8808 9.8808 10.1495 10.2190 11.0363 11.0415 11.0415 11.1585 11.3116 11.3116 12.1807 12.1807 12.4522 12.4868 13.8019 13.8019 14.4697 14.4697 14.6084 14.6548 16.5118 16.5118 k = 0.2442 0.1410 0.0997 ( 2343 PWs) bands (ev): -29.5936 -29.5936 -11.2161 -11.2161 -11.2156 -11.2154 -10.6578 -10.6578 -9.2515 -9.2515 -9.2332 -9.2331 -8.2287 -8.2287 -8.2208 -8.2208 -8.2117 -8.2113 1.4409 1.4409 8.7027 8.7027 9.8406 9.8406 10.1306 10.1979 11.0403 11.0403 11.0411 11.1622 11.2832 11.2832 12.1586 12.1586 12.4229 12.4596 13.8198 13.8198 14.5178 14.5178 14.6429 14.6872 16.6155 16.6155 k = 0.2558 0.1477 0.1044 ( 2343 PWs) bands (ev): -29.5934 -29.5934 -11.2167 -11.2167 -11.2162 -11.2160 -10.6591 -10.6591 -9.2541 -9.2541 -9.2344 -9.2344 -8.2277 -8.2277 -8.2196 -8.2196 -8.2089 -8.2086 1.4796 1.4796 8.6080 8.6080 9.8020 9.8020 10.1121 10.1772 11.0379 11.0379 11.0452 11.1646 11.2592 11.2592 12.1387 12.1387 12.3952 12.4336 13.8389 13.8389 14.5672 14.5672 14.6807 14.7229 16.7126 16.7126 k = 0.2674 0.1544 0.1092 ( 2343 PWs) bands (ev): -29.5933 -29.5933 -11.2174 -11.2174 -11.2168 -11.2166 -10.6603 -10.6603 -9.2567 -9.2567 -9.2357 -9.2357 -8.2267 -8.2267 -8.2183 -8.2183 -8.2062 -8.2058 1.5189 1.5189 8.5128 8.5128 9.7650 9.7650 10.0942 10.1568 11.0341 11.0341 11.0486 11.1659 11.2390 11.2390 12.1208 12.1208 12.3692 12.4090 13.8593 13.8593 14.6178 14.6178 14.7214 14.7616 16.7974 16.7974 k = 0.2791 0.1611 0.1139 ( 2355 PWs) bands (ev): -29.5932 -29.5932 -11.2181 -11.2181 -11.2174 -11.2172 -10.6616 -10.6616 -9.2593 -9.2593 -9.2370 -9.2369 -8.2258 -8.2258 -8.2169 -8.2169 -8.2034 -8.2031 1.5585 1.5585 8.4178 8.4178 9.7297 9.7297 10.0767 10.1367 11.0292 11.0292 11.0511 11.1658 11.2222 11.2222 12.1049 12.1049 12.3450 12.3858 13.8811 13.8811 14.6697 14.6697 14.7649 14.8032 16.8608 16.8608 k = 0.2907 0.1678 0.1187 ( 2355 PWs) bands (ev): -29.5930 -29.5930 -11.2187 -11.2187 -11.2180 -11.2178 -10.6628 -10.6628 -9.2618 -9.2618 -9.2382 -9.2382 -8.2249 -8.2249 -8.2155 -8.2155 -8.2008 -8.2004 1.5982 1.5982 8.3236 8.3236 9.6961 9.6961 10.0599 10.1173 11.0235 11.0235 11.0531 11.1646 11.2084 11.2084 12.0908 12.0908 12.3226 12.3640 13.9044 13.9044 14.7227 14.7227 14.8109 14.8473 16.8900 16.8900 k = 0.3023 0.1745 0.1234 ( 2355 PWs) bands (ev): -29.5929 -29.5929 -11.2193 -11.2193 -11.2186 -11.2184 -10.6640 -10.6640 -9.2643 -9.2643 -9.2394 -9.2394 -8.2242 -8.2242 -8.2141 -8.2141 -8.1981 -8.1978 1.6379 1.6379 8.2309 8.2309 9.6642 9.6642 10.0438 10.0984 11.0172 11.0172 11.0545 11.1624 11.1970 11.1970 12.0785 12.0785 12.3022 12.3437 13.9291 13.9291 14.7766 14.7766 14.8591 14.8937 16.8768 16.8768 k = 0.3140 0.1813 0.1282 ( 2355 PWs) bands (ev): -29.5928 -29.5928 -11.2200 -11.2200 -11.2192 -11.2190 -10.6652 -10.6652 -9.2666 -9.2666 -9.2405 -9.2405 -8.2235 -8.2235 -8.2127 -8.2127 -8.1956 -8.1952 1.6772 1.6772 8.1401 8.1401 9.6339 9.6339 10.0284 10.0801 11.0105 11.0105 11.0554 11.1592 11.1876 11.1876 12.0677 12.0677 12.2837 12.3248 13.9552 13.9552 14.8314 14.8314 14.9093 14.9421 16.8257 16.8257 k = 0.3256 0.1880 0.1329 ( 2358 PWs) bands (ev): -29.5927 -29.5927 -11.2206 -11.2206 -11.2197 -11.2196 -10.6663 -10.6663 -9.2689 -9.2689 -9.2416 -9.2416 -8.2228 -8.2228 -8.2113 -8.2113 -8.1931 -8.1928 1.7161 1.7161 8.0520 8.0520 9.6055 9.6055 10.0137 10.0624 11.0038 11.0038 11.0559 11.1551 11.1799 11.1799 12.0585 12.0585 12.2670 12.3074 13.9829 13.9829 14.8868 14.8868 14.9611 14.9922 16.7491 16.7491 k = 0.3372 0.1947 0.1377 ( 2349 PWs) bands (ev): -29.5926 -29.5926 -11.2211 -11.2211 -11.2203 -11.2201 -10.6674 -10.6674 -9.2711 -9.2711 -9.2427 -9.2427 -8.2222 -8.2222 -8.2099 -8.2099 -8.1907 -8.1904 1.7541 1.7541 7.9669 7.9669 9.5787 9.5787 9.9999 10.0456 10.9971 10.9971 11.0561 11.1503 11.1735 11.1735 12.0506 12.0506 12.2521 12.2914 14.0120 14.0120 14.9425 14.9425 15.0142 15.0437 16.6581 16.6581 k = 0.3488 0.2014 0.1424 ( 2349 PWs) bands (ev): -29.5924 -29.5924 -11.2217 -11.2217 -11.2208 -11.2206 -10.6685 -10.6685 -9.2732 -9.2732 -9.2437 -9.2437 -8.2216 -8.2216 -8.2086 -8.2086 -8.1884 -8.1881 1.7911 1.7911 7.8853 7.8853 9.5537 9.5537 9.9869 10.0295 10.9907 10.9907 11.0560 11.1449 11.1683 11.1683 12.0439 12.0439 12.2389 12.2767 14.0425 14.0425 14.9983 14.9983 15.0683 15.0961 16.5595 16.5595 k = 0.3605 0.2081 0.1472 ( 2352 PWs) bands (ev): -29.5923 -29.5923 -11.2222 -11.2222 -11.2213 -11.2211 -10.6695 -10.6695 -9.2752 -9.2752 -9.2447 -9.2446 -8.2211 -8.2211 -8.2073 -8.2073 -8.1863 -8.1860 1.8268 1.8268 7.8078 7.8078 9.5305 9.5305 9.9748 10.0143 10.9845 10.9845 11.0557 11.1389 11.1639 11.1639 12.0382 12.0382 12.2273 12.2633 14.0743 14.0743 15.0537 15.0537 15.1229 15.1490 16.4579 16.4579 k = 0.3721 0.2148 0.1519 ( 2346 PWs) bands (ev): -29.5922 -29.5922 -11.2227 -11.2227 -11.2217 -11.2216 -10.6704 -10.6704 -9.2771 -9.2771 -9.2456 -9.2455 -8.2206 -8.2206 -8.2061 -8.2061 -8.1842 -8.1840 1.8610 1.8610 7.7347 7.7347 9.5090 9.5090 9.9636 9.9999 10.9788 10.9788 11.0554 11.1325 11.1604 11.1604 12.0335 12.0335 12.2173 12.2512 14.1074 14.1074 15.1083 15.1083 15.1775 15.2019 16.3561 16.3561 k = 0.3837 0.2215 0.1567 ( 2352 PWs) bands (ev): -29.5922 -29.5922 -11.2231 -11.2231 -11.2222 -11.2220 -10.6713 -10.6713 -9.2788 -9.2788 -9.2464 -9.2464 -8.2202 -8.2202 -8.2050 -8.2050 -8.1824 -8.1821 1.8934 1.8934 7.6664 7.6664 9.4894 9.4894 9.9534 9.9865 10.9735 10.9735 11.0550 11.1259 11.1575 11.1575 12.0295 12.0295 12.2086 12.2401 14.1414 14.1414 15.1615 15.1615 15.2316 15.2543 16.2563 16.2563 k = 0.3953 0.2283 0.1614 ( 2352 PWs) bands (ev): -29.5921 -29.5921 -11.2236 -11.2236 -11.2225 -11.2224 -10.6721 -10.6721 -9.2804 -9.2804 -9.2472 -9.2471 -8.2198 -8.2198 -8.2039 -8.2039 -8.1806 -8.1804 1.9237 1.9237 7.6033 7.6033 9.4715 9.4715 9.9442 9.9741 10.9686 10.9686 11.0548 11.1191 11.1552 11.1552 12.0263 12.0263 12.2013 12.2302 14.1760 14.1760 15.2128 15.2128 15.2846 15.3055 16.1599 16.1599 k = 0.4070 0.2350 0.1661 ( 2352 PWs) bands (ev): -29.5920 -29.5920 -11.2239 -11.2239 -11.2229 -11.2228 -10.6729 -10.6729 -9.2818 -9.2818 -9.2479 -9.2478 -8.2194 -8.2194 -8.2030 -8.2030 -8.1791 -8.1789 1.9517 1.9517 7.5458 7.5458 9.4555 9.4555 9.9361 9.9627 10.9642 10.9642 11.0548 11.1124 11.1534 11.1534 12.0237 12.0237 12.1952 12.2214 14.2109 14.2109 15.2614 15.2614 15.3357 15.3548 16.0685 16.0685 k = 0.4186 0.2417 0.1709 ( 2346 PWs) bands (ev): -29.5919 -29.5919 -11.2243 -11.2243 -11.2232 -11.2231 -10.6736 -10.6736 -9.2831 -9.2831 -9.2485 -9.2484 -8.2191 -8.2191 -8.2021 -8.2021 -8.1776 -8.1775 1.9770 1.9770 7.4942 7.4942 9.4413 9.4413 9.9290 9.9523 10.9603 10.9603 11.0551 11.1058 11.1521 11.1521 12.0216 12.0216 12.1903 12.2135 14.2456 14.2456 15.3065 15.3065 15.3843 15.4014 15.9834 15.9834 k = 0.4302 0.2484 0.1756 ( 2352 PWs) bands (ev): -29.5919 -29.5919 -11.2246 -11.2246 -11.2235 -11.2234 -10.6742 -10.6742 -9.2842 -9.2842 -9.2490 -9.2490 -8.2188 -8.2188 -8.2014 -8.2014 -8.1764 -8.1763 1.9996 1.9996 7.4488 7.4488 9.4289 9.4289 9.9230 9.9431 10.9568 10.9568 11.0556 11.0992 11.1510 11.1510 12.0199 12.0199 12.1864 12.2066 14.2792 14.2792 15.3470 15.3470 15.4293 15.4444 15.9062 15.9062 k = 0.4419 0.2551 0.1804 ( 2355 PWs) bands (ev): -29.5918 -29.5918 -11.2249 -11.2249 -11.2237 -11.2236 -10.6747 -10.6747 -9.2852 -9.2852 -9.2495 -9.2495 -8.2185 -8.2185 -8.2007 -8.2007 -8.1754 -8.1752 2.0191 2.0191 7.4098 7.4098 9.4184 9.4184 9.9182 9.9349 10.9539 10.9539 11.0565 11.0930 11.1502 11.1502 12.0185 12.0185 12.1835 12.2005 14.3109 14.3109 15.3819 15.3819 15.4700 15.4829 15.8383 15.8383 k = 0.4535 0.2618 0.1851 ( 2356 PWs) bands (ev): -29.5918 -29.5918 -11.2251 -11.2251 -11.2239 -11.2239 -10.6751 -10.6751 -9.2860 -9.2860 -9.2498 -9.2498 -8.2183 -8.2183 -8.2002 -8.2002 -8.1745 -8.1744 2.0353 2.0353 7.3776 7.3776 9.4099 9.4099 9.9146 9.9279 10.9514 10.9514 11.0579 11.0872 11.1496 11.1496 12.0176 12.0176 12.1816 12.1953 14.3396 14.3396 15.4101 15.4101 15.5053 15.5158 15.7816 15.7816 k = 0.4651 0.2685 0.1899 ( 2350 PWs) bands (ev): -29.5917 -29.5917 -11.2252 -11.2252 -11.2241 -11.2240 -10.6754 -10.6754 -9.2866 -9.2866 -9.2501 -9.2501 -8.2182 -8.2182 -8.1998 -8.1998 -8.1738 -8.1737 2.0481 2.0481 7.3524 7.3524 9.4032 9.4032 9.9121 9.9221 10.9496 10.9496 11.0597 11.0818 11.1493 11.1493 12.0168 12.0168 12.1805 12.1909 14.3639 14.3639 15.4307 15.4307 15.5343 15.5424 15.7376 15.7376 k = 0.4767 0.2752 0.1946 ( 2350 PWs) bands (ev): -29.5917 -29.5917 -11.2254 -11.2254 -11.2242 -11.2241 -10.6756 -10.6756 -9.2870 -9.2870 -9.2504 -9.2503 -8.2181 -8.2181 -8.1995 -8.1995 -8.1733 -8.1733 2.0574 2.0574 7.3342 7.3342 9.3984 9.3984 9.9107 9.9174 10.9483 10.9483 11.0621 11.0768 11.1490 11.1490 12.0163 12.0163 12.1803 12.1872 14.3826 14.3826 15.4436 15.4436 15.5561 15.5616 15.7070 15.7070 k = 0.4884 0.2820 0.1994 ( 2362 PWs) bands (ev): -29.5917 -29.5917 -11.2254 -11.2254 -11.2242 -11.2242 -10.6758 -10.6758 -9.2873 -9.2873 -9.2505 -9.2505 -8.2180 -8.2180 -8.1993 -8.1993 -8.1730 -8.1730 2.0630 2.0630 7.3233 7.3233 9.3955 9.3955 9.9105 9.9139 10.9474 10.9474 11.0649 11.0723 11.1488 11.1488 12.0160 12.0160 12.1809 12.1843 14.3944 14.3944 15.4501 15.4501 15.5701 15.5728 15.6896 15.6896 k = 0.5000 0.2887 0.2041 ( 2362 PWs) bands (ev): -29.5917 -29.5917 -11.2255 -11.2255 -11.2242 -11.2242 -10.6758 -10.6758 -9.2874 -9.2874 -9.2505 -9.2505 -8.2180 -8.2180 -8.1993 -8.1993 -8.1729 -8.1729 2.0649 2.0649 7.3196 7.3196 9.3945 9.3945 9.9116 9.9116 10.9471 10.9471 11.0683 11.0683 11.1488 11.1488 12.0159 12.0159 12.1822 12.1822 14.3984 14.3984 15.4520 15.4520 15.5757 15.5757 15.6840 15.6840 k = 0.5000 0.2887 0.2041 ( 2362 PWs) bands (ev): -29.5917 -29.5917 -11.2255 -11.2255 -11.2242 -11.2242 -10.6758 -10.6758 -9.2874 -9.2874 -9.2505 -9.2505 -8.2180 -8.2180 -8.1993 -8.1993 -8.1729 -8.1729 2.0649 2.0649 7.3196 7.3196 9.3945 9.3945 9.9116 9.9116 10.9471 10.9471 11.0683 11.0683 11.1488 11.1488 12.0159 12.0159 12.1822 12.1822 14.3984 14.3984 15.4520 15.4520 15.5757 15.5757 15.6840 15.6840 k = 0.5040 0.2770 0.2107 ( 2353 PWs) bands (ev): -29.5917 -29.5917 -11.2255 -11.2254 -11.2242 -11.2242 -10.6760 -10.6757 -9.2875 -9.2872 -9.2505 -9.2505 -8.2180 -8.2180 -8.1993 -8.1993 -8.1730 -8.1730 2.0647 2.0650 7.3167 7.3256 9.3863 9.4021 9.9113 9.9113 10.9468 10.9480 11.0687 11.0687 11.1481 11.1498 12.0107 12.0183 12.1803 12.1803 14.3923 14.4108 15.4494 15.4556 15.5761 15.5763 15.6794 15.6854 k = 0.5081 0.2654 0.2173 ( 2347 PWs) bands (ev): -29.5917 -29.5917 -11.2254 -11.2253 -11.2241 -11.2241 -10.6762 -10.6755 -9.2876 -9.2869 -9.2506 -9.2506 -8.2181 -8.2180 -8.1995 -8.1994 -8.1732 -8.1732 2.0644 2.0650 7.3169 7.3348 9.3772 9.4088 9.9102 9.9103 10.9470 10.9494 11.0698 11.0698 11.1474 11.1508 12.0026 12.0179 12.1743 12.1747 14.3922 14.4292 15.4478 15.4601 15.5769 15.5781 15.6716 15.6845 k = 0.5121 0.2538 0.2239 ( 2347 PWs) bands (ev): -29.5917 -29.5917 -11.2253 -11.2251 -11.2240 -11.2240 -10.6764 -10.6753 -9.2876 -9.2866 -9.2507 -9.2507 -8.2181 -8.2180 -8.1997 -8.1997 -8.1737 -8.1737 2.0641 2.0650 7.3200 7.3470 9.3671 9.4149 9.9082 9.9087 10.9476 10.9512 11.0714 11.0716 11.1469 11.1520 11.9913 12.0146 12.1646 12.1660 14.3977 14.4530 15.4466 15.4644 15.5772 15.5814 15.6616 15.6831 k = 0.5161 0.2421 0.2305 ( 2350 PWs) bands (ev): -29.5917 -29.5917 -11.2251 -11.2249 -11.2238 -11.2237 -10.6765 -10.6751 -9.2876 -9.2863 -9.2508 -9.2508 -8.2182 -8.2180 -8.2001 -8.2000 -8.1743 -8.1743 2.0637 2.0649 7.3262 7.3623 9.3560 9.4202 9.9055 9.9066 10.9486 10.9536 11.0737 11.0740 11.1465 11.1533 11.9769 12.0083 12.1514 12.1545 14.4082 14.4815 15.4448 15.4670 15.5757 15.5851 15.6523 15.6841 k = 0.5202 0.2305 0.2370 ( 2348 PWs) bands (ev): -29.5917 -29.5917 -11.2250 -11.2247 -11.2235 -11.2234 -10.6767 -10.6749 -9.2876 -9.2859 -9.2509 -9.2509 -8.2183 -8.2180 -8.2005 -8.2004 -8.1751 -8.1750 2.0633 2.0648 7.3353 7.3807 9.3437 9.4248 9.9022 9.9043 10.9501 10.9564 11.0767 11.0772 11.1462 11.1548 11.9594 11.9990 12.1355 12.1410 14.4225 14.5137 15.4413 15.4662 15.5714 15.5853 15.6501 15.6907 k = 0.5242 0.2188 0.2436 ( 2342 PWs) bands (ev): -29.5916 -29.5916 -11.2247 -11.2245 -11.2231 -11.2229 -10.6769 -10.6748 -9.2874 -9.2854 -9.2511 -9.2511 -8.2184 -8.2181 -8.2010 -8.2009 -8.1760 -8.1759 2.0627 2.0646 7.3473 7.4022 9.3300 9.4286 9.8984 9.9020 10.9518 10.9597 11.0801 11.0811 11.1462 11.1565 11.9388 11.9865 12.1177 12.1259 14.4395 14.5482 15.4349 15.4600 15.5646 15.5789 15.6612 15.7049 k = 0.5282 0.2072 0.2502 ( 2337 PWs) bands (ev): -29.5916 -29.5916 -11.2245 -11.2243 -11.2227 -11.2224 -10.6770 -10.6746 -9.2873 -9.2849 -9.2513 -9.2513 -8.2185 -8.2181 -8.2016 -8.2014 -8.1770 -8.1770 2.0622 2.0643 7.3620 7.4267 9.3148 9.4314 9.8943 9.8997 10.9540 10.9635 11.0842 11.0857 11.1462 11.1583 11.9152 11.9705 12.0986 12.1098 14.4575 14.5835 15.4246 15.4473 15.5567 15.5691 15.6846 15.7272 k = 0.5323 0.1956 0.2568 ( 2342 PWs) bands (ev): -29.5916 -29.5916 -11.2242 -11.2240 -11.2222 -11.2218 -10.6772 -10.6744 -9.2871 -9.2844 -9.2515 -9.2515 -8.2187 -8.2182 -8.2023 -8.2021 -8.1782 -8.1781 2.0616 2.0639 7.3795 7.4542 9.2981 9.4332 9.8901 9.8978 10.9562 10.9676 11.0886 11.0908 11.1465 11.1604 11.8890 11.9507 12.0791 12.0928 14.4749 14.6178 15.4105 15.4283 15.5497 15.5605 15.7168 15.7571 k = 0.5363 0.1839 0.2634 ( 2345 PWs) bands (ev): -29.5916 -29.5916 -11.2239 -11.2238 -11.2216 -11.2211 -10.6774 -10.6743 -9.2868 -9.2838 -9.2518 -9.2517 -8.2188 -8.2183 -8.2031 -8.2029 -8.1795 -8.1794 2.0609 2.0635 7.3995 7.4846 9.2796 9.4338 9.8861 9.8964 10.9587 10.9721 11.0934 11.0967 11.1470 11.1627 11.8605 11.9275 12.0597 12.0753 14.4900 14.6490 15.3939 15.4054 15.5445 15.5545 15.7561 15.7940 k = 0.5403 0.1723 0.2700 ( 2347 PWs) bands (ev): -29.5915 -29.5915 -11.2237 -11.2235 -11.2209 -11.2203 -10.6775 -10.6742 -9.2865 -9.2832 -9.2521 -9.2520 -8.2190 -8.2184 -8.2040 -8.2037 -8.1809 -8.1808 2.0602 2.0630 7.4219 7.5179 9.2594 9.4331 9.8825 9.8956 10.9612 10.9770 11.0984 11.1031 11.1478 11.1652 11.8302 11.9011 12.0407 12.0573 14.5008 14.6748 15.3769 15.3819 15.5413 15.5508 15.8013 15.8370 k = 0.5444 0.1606 0.2766 ( 2345 PWs) bands (ev): -29.5915 -29.5915 -11.2233 -11.2232 -11.2201 -11.2195 -10.6777 -10.6740 -9.2862 -9.2826 -9.2524 -9.2523 -8.2192 -8.2186 -8.2050 -8.2046 -8.1824 -8.1822 2.0595 2.0625 7.4467 7.5540 9.2373 9.4310 9.8797 9.8958 10.9638 10.9821 11.1035 11.1101 11.1491 11.1681 11.7986 11.8721 12.0221 12.0390 14.5056 14.6927 15.3613 15.3618 15.5398 15.5491 15.8514 15.8856 k = 0.5484 0.1490 0.2831 ( 2347 PWs) bands (ev): -29.5915 -29.5915 -11.2230 -11.2229 -11.2193 -11.2187 -10.6778 -10.6739 -9.2858 -9.2820 -9.2527 -9.2526 -8.2195 -8.2188 -8.2060 -8.2055 -8.1839 -8.1837 2.0587 2.0619 7.4737 7.5928 9.2134 9.4274 9.8778 9.8969 10.9663 10.9874 11.1086 11.1176 11.1508 11.1713 11.7659 11.8411 12.0038 12.0203 14.5030 14.7001 15.3471 15.3508 15.5398 15.5490 15.9056 15.9388 k = 0.5524 0.1374 0.2897 ( 2349 PWs) bands (ev): -29.5914 -29.5914 -11.2227 -11.2226 -11.2185 -11.2178 -10.6779 -10.6738 -9.2854 -9.2813 -9.2530 -9.2529 -8.2198 -8.2190 -8.2071 -8.2065 -8.1855 -8.1853 2.0579 2.0612 7.5026 7.6342 9.1877 9.4222 9.8772 9.8990 10.9687 10.9928 11.1133 11.1255 11.1534 11.1749 11.7326 11.8086 11.9857 12.0014 14.4919 14.6953 15.3416 15.3454 15.5412 15.5503 15.9627 15.9956 k = 0.5565 0.1257 0.2963 ( 2349 PWs) bands (ev): -29.5914 -29.5914 -11.2223 -11.2222 -11.2176 -11.2169 -10.6781 -10.6737 -9.2850 -9.2806 -9.2534 -9.2533 -8.2201 -8.2192 -8.2082 -8.2076 -8.1871 -8.1869 2.0570 2.0604 7.5333 7.6781 9.1602 9.4155 9.8780 9.9023 10.9709 10.9983 11.1176 11.1338 11.1569 11.1789 11.6990 11.7754 11.9677 11.9822 14.4721 14.6779 15.3458 15.3466 15.5438 15.5530 16.0217 16.0549 k = 0.5605 0.1141 0.3029 ( 2349 PWs) bands (ev): -29.5914 -29.5914 -11.2219 -11.2218 -11.2167 -11.2159 -10.6782 -10.6736 -9.2845 -9.2798 -9.2537 -9.2536 -8.2205 -8.2195 -8.2094 -8.2086 -8.1887 -8.1885 2.0561 2.0596 7.5655 7.7244 9.1311 9.4073 9.8804 9.9067 10.9729 11.0037 11.1212 11.1424 11.1614 11.1833 11.6654 11.7416 11.9498 11.9628 14.4440 14.6489 15.3544 15.3594 15.5476 15.5571 16.0812 16.1155 k = 0.5645 0.1024 0.3095 ( 2343 PWs) bands (ev): -29.5913 -29.5913 -11.2216 -11.2215 -11.2158 -11.2149 -10.6783 -10.6736 -9.2840 -9.2791 -9.2541 -9.2540 -8.2210 -8.2199 -8.2106 -8.2097 -8.1904 -8.1901 2.0551 2.0588 7.5991 7.7730 9.1006 9.3979 9.8843 9.9122 10.9746 11.0090 11.1242 11.1512 11.1670 11.1882 11.6321 11.7079 11.9320 11.9434 14.4085 14.6103 15.3685 15.3809 15.5527 15.5628 16.1397 16.1760 k = 0.5685 0.0908 0.3161 ( 2339 PWs) bands (ev): -29.5913 -29.5913 -11.2211 -11.2211 -11.2148 -11.2140 -10.6784 -10.6735 -9.2836 -9.2784 -9.2544 -9.2544 -8.2216 -8.2204 -8.2117 -8.2107 -8.1920 -8.1917 2.0541 2.0578 7.6337 7.8237 9.0687 9.3874 9.8899 9.9190 10.9759 11.0140 11.1267 11.1600 11.1735 11.1937 11.5993 11.6743 11.9142 11.9240 14.3669 14.5643 15.3881 15.4083 15.5592 15.5702 16.1953 16.2346 k = 0.5726 0.0792 0.3226 ( 2343 PWs) bands (ev): -29.5913 -29.5912 -11.2207 -11.2206 -11.2139 -11.2130 -10.6785 -10.6735 -9.2831 -9.2776 -9.2548 -9.2547 -8.2222 -8.2209 -8.2128 -8.2117 -8.1936 -8.1934 2.0530 2.0568 7.6691 7.8763 9.0356 9.3763 9.8971 9.9267 10.9767 11.0184 11.1288 11.1686 11.1806 11.1997 11.5670 11.6411 11.8966 11.9046 14.3205 14.5132 15.4121 15.4398 15.5671 15.5795 16.2461 16.2896 k = 0.5766 0.0675 0.3292 ( 2341 PWs) bands (ev): -29.5912 -29.5912 -11.2203 -11.2202 -11.2129 -11.2120 -10.6786 -10.6734 -9.2826 -9.2769 -9.2551 -9.2551 -8.2229 -8.2216 -8.2138 -8.2126 -8.1952 -8.1950 2.0518 2.0557 7.7049 7.9307 9.0016 9.3648 9.9058 9.9356 10.9771 11.0222 11.1310 11.1770 11.1882 11.2062 11.5355 11.6086 11.8793 11.8855 14.2707 14.4586 15.4396 15.4737 15.5765 15.5915 16.2900 16.3388 k = 0.5806 0.0559 0.3358 ( 2342 PWs) bands (ev): -29.5912 -29.5912 -11.2198 -11.2198 -11.2120 -11.2111 -10.6787 -10.6734 -9.2821 -9.2762 -9.2555 -9.2554 -8.2237 -8.2225 -8.2147 -8.2134 -8.1968 -8.1965 2.0506 2.0545 7.7407 7.9866 8.9669 9.3533 9.9159 9.9455 10.9771 11.0253 11.1334 11.1849 11.1961 11.2132 11.5050 11.5767 11.8623 11.8668 14.2186 14.4020 15.4698 15.5082 15.5876 15.6068 16.3250 16.3800 k = 0.5847 0.0442 0.3424 ( 2342 PWs) bands (ev): -29.5912 -29.5911 -11.2194 -11.2193 -11.2111 -11.2102 -10.6788 -10.6734 -9.2817 -9.2755 -9.2558 -9.2556 -8.2246 -8.2234 -8.2155 -8.2142 -8.1983 -8.1981 2.0493 2.0531 7.7763 8.0439 8.9318 9.3424 9.9274 9.9563 10.9767 11.0274 11.1361 11.1922 11.2041 11.2207 11.4756 11.5458 11.8459 11.8486 14.1652 14.3446 15.5015 15.5410 15.6007 15.6269 16.3493 16.4112 k = 0.5887 0.0326 0.3490 ( 2334 PWs) bands (ev): -29.5911 -29.5911 -11.2189 -11.2188 -11.2102 -11.2093 -10.6788 -10.6734 -9.2812 -9.2748 -9.2561 -9.2558 -8.2255 -8.2244 -8.2162 -8.2149 -8.1998 -8.1996 2.0478 2.0516 7.8111 8.1022 8.8966 9.3325 9.9400 9.9680 10.9759 11.0287 11.1394 11.1988 11.2122 11.2285 11.4477 11.5159 11.8301 11.8311 14.1114 14.2871 15.5339 15.5703 15.6160 15.6533 16.3620 16.4308 k = 0.5927 0.0210 0.3556 ( 2335 PWs) bands (ev): -29.5911 -29.5911 -11.2184 -11.2183 -11.2094 -11.2085 -10.6789 -10.6734 -9.2808 -9.2742 -9.2563 -9.2560 -8.2264 -8.2255 -8.2168 -8.2155 -8.2012 -8.2011 2.0462 2.0500 7.8448 8.1610 8.8616 9.3240 9.9537 9.9805 10.9747 11.0288 11.1431 11.2044 11.2201 11.2364 11.4212 11.4870 11.8144 11.8151 14.0577 14.2302 15.5655 15.5954 15.6344 15.6858 16.3633 16.4384 k = 0.5968 0.0093 0.3622 ( 2335 PWs) bands (ev): -29.5911 -29.5910 -11.2179 -11.2179 -11.2086 -11.2077 -10.6789 -10.6734 -9.2805 -9.2737 -9.2565 -9.2561 -8.2273 -8.2266 -8.2173 -8.2161 -8.2026 -8.2026 2.0444 2.0482 7.8770 8.2200 8.8274 9.3173 9.9683 9.9938 10.9732 11.0279 11.1474 11.2088 11.2278 11.2444 11.3967 11.4591 11.7988 11.8010 14.0048 14.1745 15.5951 15.6176 15.6565 15.7228 16.3544 16.4351 k = 0.6008-0.0023 0.3687 ( 2331 PWs) bands (ev): -29.5910 -29.5910 -11.2175 -11.2174 -11.2078 -11.2070 -10.6789 -10.6734 -9.2802 -9.2732 -9.2567 -9.2561 -8.2283 -8.2276 -8.2178 -8.2166 -8.2040 -8.2039 2.0425 2.0462 7.9073 8.2782 8.7948 9.3130 9.9839 10.0078 10.9715 11.0263 11.1521 11.2113 11.2352 11.2523 11.3744 11.4323 11.7845 11.7880 13.9532 14.1203 15.6216 15.6385 15.6827 15.7622 16.3376 16.4233 k = 0.6048-0.0140 0.3753 ( 2331 PWs) bands (ev): -29.5910 -29.5910 -11.2170 -11.2169 -11.2071 -11.2063 -10.6789 -10.6734 -9.2799 -9.2727 -9.2567 -9.2561 -8.2291 -8.2286 -8.2184 -8.2172 -8.2053 -8.2052 2.0403 2.0439 7.9352 8.3344 8.7650 9.3112 10.0002 10.0224 10.9696 11.0240 11.1570 11.2114 11.2424 11.2603 11.3548 11.4067 11.7715 11.7761 13.9032 14.0681 15.6453 15.6591 15.7120 15.8021 16.3155 16.4057 k = 0.6089-0.0256 0.3819 ( 2332 PWs) bands (ev): -29.5910 -29.5909 -11.2165 -11.2164 -11.2065 -11.2057 -10.6789 -10.6734 -9.2797 -9.2724 -9.2567 -9.2560 -8.2299 -8.2295 -8.2189 -8.2177 -8.2066 -8.2064 2.0379 2.0414 7.9604 8.3862 8.7402 9.3125 10.0171 10.0376 10.9677 11.0212 11.1619 11.2085 11.2492 11.2682 11.3384 11.3822 11.7601 11.7656 13.8551 14.0179 15.6673 15.6799 15.7426 15.8411 16.2907 16.3852 k = 0.6129-0.0372 0.3885 ( 2329 PWs) bands (ev): -29.5910 -29.5909 -11.2160 -11.2159 -11.2060 -11.2052 -10.6788 -10.6734 -9.2796 -9.2722 -9.2566 -9.2558 -8.2306 -8.2303 -8.2195 -8.2183 -8.2078 -8.2075 2.0351 2.0386 7.9827 8.4297 8.7246 9.3170 10.0347 10.0532 10.9658 11.0182 11.1666 11.2023 11.2557 11.2763 11.3253 11.3590 11.7503 11.7563 13.8090 13.9702 15.6883 15.7009 15.7725 15.8776 16.2659 16.3640 k = 0.6169-0.0489 0.3951 ( 2329 PWs) bands (ev): -29.5909 -29.5909 -11.2155 -11.2154 -11.2055 -11.2047 -10.6788 -10.6733 -9.2795 -9.2720 -9.2564 -9.2555 -8.2312 -8.2310 -8.2201 -8.2189 -8.2089 -8.2085 2.0321 2.0355 8.0018 8.4586 8.7242 9.3249 10.0527 10.0694 10.9641 11.0153 11.1707 11.1931 11.2620 11.2842 11.3153 11.3372 11.7424 11.7485 13.7653 13.9248 15.7088 15.7223 15.8005 15.9097 16.2439 16.3439 k = 0.6210-0.0605 0.4017 ( 2329 PWs) bands (ev): -29.5909 -29.5909 -11.2150 -11.2149 -11.2051 -11.2043 -10.6787 -10.6733 -9.2794 -9.2719 -9.2561 -9.2551 -8.2317 -8.2316 -8.2208 -8.2195 -8.2099 -8.2095 2.0287 2.0320 8.0176 8.4683 8.7436 9.3363 10.0713 10.0859 10.9625 11.0126 11.1739 11.1814 11.2681 11.2918 11.3080 11.3171 11.7362 11.7421 13.7238 13.8819 15.7286 15.7436 15.8252 15.9348 16.2275 16.3257 k = 0.6250-0.0722 0.4082 ( 2329 PWs) bands (ev): -29.5909 -29.5909 -11.2145 -11.2144 -11.2048 -11.2040 -10.6786 -10.6733 -9.2793 -9.2719 -9.2557 -9.2547 -8.2320 -8.2320 -8.2215 -8.2202 -8.2109 -8.2103 2.0248 2.0281 8.0302 8.4608 8.7809 9.3510 10.0901 10.1028 10.9611 11.0103 11.1684 11.1756 11.2733 11.2955 11.2997 11.3060 11.7319 11.7371 13.6848 13.8416 15.7475 15.7645 15.8456 15.9498 16.2197 16.3096 k = 0.6250-0.0722 0.4082 ( 2329 PWs) bands (ev): -29.5909 -29.5909 -11.2145 -11.2144 -11.2048 -11.2040 -10.6786 -10.6733 -9.2793 -9.2719 -9.2557 -9.2547 -8.2320 -8.2320 -8.2215 -8.2202 -8.2109 -8.2103 2.0248 2.0281 8.0302 8.4608 8.7809 9.3510 10.0901 10.1028 10.9611 11.0103 11.1684 11.1756 11.2733 11.2955 11.2997 11.3060 11.7319 11.7371 13.6848 13.8416 15.7475 15.7645 15.8456 15.9498 16.2197 16.3096 k = 0.6181-0.0682 0.4196 ( 2329 PWs) bands (ev): -29.5909 -29.5909 -11.2145 -11.2144 -11.2047 -11.2040 -10.6786 -10.6733 -9.2793 -9.2719 -9.2557 -9.2547 -8.2322 -8.2320 -8.2215 -8.2202 -8.2108 -8.2103 2.0250 2.0282 8.0308 8.4613 8.7814 9.3515 10.0878 10.1010 10.9609 11.0102 11.1656 11.1772 11.2713 11.2881 11.3028 11.3089 11.7296 11.7424 13.6889 13.8463 15.7328 15.7565 15.8548 15.9545 16.2077 16.2843 k = 0.6111-0.0642 0.4309 ( 2329 PWs) bands (ev): -29.5909 -29.5909 -11.2146 -11.2145 -11.2046 -11.2039 -10.6786 -10.6733 -9.2793 -9.2718 -9.2558 -9.2548 -8.2326 -8.2322 -8.2213 -8.2200 -8.2108 -8.2102 2.0254 2.0286 8.0327 8.4629 8.7831 9.3529 10.0810 10.0955 10.9602 11.0099 11.1598 11.1796 11.2630 11.2818 11.3020 11.3149 11.7280 11.7522 13.7011 13.8603 15.6988 15.7349 15.8720 15.9663 16.1759 16.2314 k = 0.6042-0.0601 0.4423 ( 2334 PWs) bands (ev): -29.5909 -29.5909 -11.2147 -11.2147 -11.2044 -11.2038 -10.6786 -10.6733 -9.2791 -9.2717 -9.2560 -9.2550 -8.2331 -8.2326 -8.2209 -8.2197 -8.2106 -8.2100 2.0260 2.0292 8.0358 8.4655 8.7859 9.3552 10.0697 10.0865 10.9589 11.0093 11.1522 11.1815 11.2490 11.2790 11.2999 11.3194 11.7284 11.7645 13.7214 13.8833 15.6554 15.7039 15.8859 15.9803 16.1326 16.1733 k = 0.5972-0.0561 0.4536 ( 2335 PWs) bands (ev): -29.5909 -29.5909 -11.2149 -11.2148 -11.2042 -11.2036 -10.6787 -10.6733 -9.2790 -9.2715 -9.2563 -9.2552 -8.2337 -8.2331 -8.2205 -8.2194 -8.2105 -8.2098 2.0269 2.0301 8.0401 8.4692 8.7896 9.3583 10.0541 10.0741 10.9572 11.0086 11.1430 11.1827 11.2333 11.2772 11.2972 11.3223 11.7304 11.7784 13.7497 13.9144 15.6063 15.6669 15.8901 15.9902 16.0867 16.1211 k = 0.5903-0.0521 0.4649 ( 2338 PWs) bands (ev): -29.5909 -29.5909 -11.2151 -11.2151 -11.2040 -11.2033 -10.6787 -10.6734 -9.2788 -9.2713 -9.2566 -9.2555 -8.2344 -8.2337 -8.2201 -8.2190 -8.2102 -8.2095 2.0280 2.0312 8.0454 8.4739 8.7942 9.3622 10.0345 10.0585 10.9551 11.0077 11.1324 11.1833 11.2180 11.2754 11.2941 11.3238 11.7335 11.7929 13.7857 13.9531 15.5530 15.6261 15.8792 15.9802 16.0558 16.0826 k = 0.5833-0.0481 0.4763 ( 2335 PWs) bands (ev): -29.5909 -29.5909 -11.2154 -11.2153 -11.2037 -11.2031 -10.6788 -10.6734 -9.2786 -9.2711 -9.2569 -9.2558 -8.2351 -8.2343 -8.2196 -8.2187 -8.2100 -8.2091 2.0293 2.0325 8.0517 8.4796 8.7993 9.3669 10.0112 10.0400 10.9525 11.0066 11.1209 11.1834 11.2043 11.2733 11.2910 11.3243 11.7373 11.8073 13.8290 13.9983 15.4963 15.5829 15.8515 15.9386 16.0532 16.0613 k = 0.5764-0.0441 0.4876 ( 2345 PWs) bands (ev): -29.5909 -29.5909 -11.2157 -11.2156 -11.2034 -11.2028 -10.6789 -10.6734 -9.2783 -9.2708 -9.2574 -9.2562 -8.2358 -8.2350 -8.2192 -8.2184 -8.2097 -8.2087 2.0308 2.0339 8.0589 8.4864 8.8048 9.3721 9.9847 10.0189 10.9493 11.0053 11.1090 11.1829 11.1924 11.2708 11.2880 11.3239 11.7415 11.8210 13.8791 14.0489 15.4366 15.5383 15.8120 15.8852 16.0509 16.0619 k = 0.5694-0.0401 0.4990 ( 2337 PWs) bands (ev): -29.5909 -29.5909 -11.2160 -11.2159 -11.2030 -11.2025 -10.6789 -10.6735 -9.2780 -9.2705 -9.2578 -9.2566 -8.2365 -8.2357 -8.2187 -8.2181 -8.2094 -8.2083 2.0324 2.0355 8.0667 8.4942 8.8103 9.3778 9.9558 9.9961 10.9459 11.0039 11.0977 11.1818 11.1829 11.2679 11.2855 11.3232 11.7459 11.8336 13.9354 14.1041 15.3743 15.4931 15.7681 15.8303 16.0477 16.0703 k = 0.5625-0.0361 0.5103 ( 2333 PWs) bands (ev): -29.5909 -29.5908 -11.2162 -11.2161 -11.2027 -11.2023 -10.6790 -10.6735 -9.2777 -9.2701 -9.2583 -9.2571 -8.2371 -8.2364 -8.2184 -8.2179 -8.2091 -8.2079 2.0341 2.0372 8.0750 8.5030 8.8155 9.3839 9.9251 9.9718 10.9423 11.0024 11.0875 11.1745 11.1810 11.2647 11.2832 11.3221 11.7501 11.8448 13.9971 14.1627 15.3096 15.4481 15.7245 15.7766 16.0465 16.0776 k = 0.5556-0.0321 0.5217 ( 2331 PWs) bands (ev): -29.5909 -29.5908 -11.2165 -11.2164 -11.2024 -11.2020 -10.6791 -10.6735 -9.2773 -9.2697 -9.2588 -9.2576 -8.2378 -8.2370 -8.2180 -8.2177 -8.2088 -8.2074 2.0358 2.0389 8.0836 8.5129 8.8200 9.3900 9.8935 9.9471 10.9387 11.0009 11.0788 11.1682 11.1796 11.2612 11.2813 11.3208 11.7541 11.8545 14.0634 14.2235 15.2429 15.4035 15.6835 15.7257 16.0456 16.0833 k = 0.5486-0.0281 0.5330 ( 2333 PWs) bands (ev): -29.5909 -29.5908 -11.2168 -11.2166 -11.2021 -11.2018 -10.6792 -10.6735 -9.2770 -9.2693 -9.2594 -9.2581 -8.2383 -8.2376 -8.2177 -8.2175 -8.2085 -8.2070 2.0376 2.0407 8.0922 8.5236 8.8233 9.3960 9.8621 9.9225 10.9351 10.9994 11.0717 11.1633 11.1780 11.2576 11.2796 11.3193 11.7577 11.8627 14.1335 14.2850 15.1744 15.3599 15.6465 15.6787 16.0442 16.0873 k = 0.5417-0.0241 0.5443 ( 2335 PWs) bands (ev): -29.5909 -29.5908 -11.2170 -11.2168 -11.2019 -11.2015 -10.6793 -10.6736 -9.2766 -9.2688 -9.2599 -9.2587 -8.2388 -8.2381 -8.2175 -8.2173 -8.2082 -8.2066 2.0393 2.0424 8.1005 8.5352 8.8249 9.4017 9.8319 9.8991 10.9318 10.9979 11.0662 11.1595 11.1763 11.2541 11.2781 11.3179 11.7609 11.8695 14.2064 14.3459 15.1044 15.3177 15.6139 15.6368 16.0421 16.0897 k = 0.5347-0.0200 0.5557 ( 2339 PWs) bands (ev): -29.5908 -29.5908 -11.2172 -11.2170 -11.2016 -11.2013 -10.6793 -10.6736 -9.2763 -9.2684 -9.2604 -9.2592 -8.2393 -8.2385 -8.2173 -8.2172 -8.2079 -8.2062 2.0409 2.0440 8.1083 8.5475 8.8246 9.4067 9.8042 9.8776 10.9289 10.9966 11.0620 11.1569 11.1746 11.2507 11.2768 11.3165 11.7636 11.8749 14.2813 14.4043 15.0334 15.2776 15.5854 15.6014 16.0394 16.0908 k = 0.5278-0.0160 0.5670 ( 2334 PWs) bands (ev): -29.5908 -29.5908 -11.2173 -11.2172 -11.2014 -11.2012 -10.6794 -10.6736 -9.2760 -9.2679 -9.2609 -9.2598 -8.2397 -8.2389 -8.2172 -8.2171 -8.2076 -8.2059 2.0424 2.0455 8.1152 8.5601 8.8221 9.4109 9.7800 9.8589 10.9266 10.9955 11.0592 11.1553 11.1731 11.2477 11.2757 11.3153 11.7658 11.8790 14.3572 14.4580 14.9617 15.2406 15.5600 15.5746 16.0363 16.0909 k = 0.5208-0.0120 0.5784 ( 2338 PWs) bands (ev): -29.5908 -29.5908 -11.2175 -11.2173 -11.2013 -11.2010 -10.6795 -10.6737 -9.2757 -9.2675 -9.2613 -9.2603 -8.2399 -8.2392 -8.2171 -8.2170 -8.2074 -8.2057 2.0436 2.0467 8.1210 8.5725 8.8176 9.4141 9.7602 9.8438 10.9248 10.9945 11.0572 11.1543 11.1718 11.2452 11.2747 11.3142 11.7676 11.8821 14.4329 14.5045 14.8899 15.2083 15.5383 15.5561 16.0331 16.0903 k = 0.5139-0.0080 0.5897 ( 2338 PWs) bands (ev): -29.5908 -29.5908 -11.2176 -11.2174 -11.2012 -11.2009 -10.6795 -10.6737 -9.2755 -9.2671 -9.2617 -9.2607 -8.2402 -8.2394 -8.2170 -8.2169 -8.2073 -8.2055 2.0446 2.0477 8.1254 8.5837 8.8120 9.4161 9.7457 9.8327 10.9235 10.9938 11.0560 11.1538 11.1708 11.2432 11.2739 11.3134 11.7688 11.8841 14.5071 14.5408 14.8189 15.1829 15.5221 15.5443 16.0302 16.0895 k = 0.5069-0.0040 0.6010 ( 2334 PWs) bands (ev): -29.5908 -29.5908 -11.2176 -11.2175 -11.2011 -11.2009 -10.6795 -10.6737 -9.2754 -9.2668 -9.2619 -9.2609 -8.2403 -8.2395 -8.2170 -8.2169 -8.2072 -8.2054 2.0453 2.0483 8.1281 8.5920 8.8067 9.4170 9.7369 9.8260 10.9228 10.9934 11.0554 11.1537 11.1703 11.2421 11.2734 11.3128 11.7695 11.8852 14.5636 14.5764 14.7521 15.1667 15.5125 15.5378 16.0281 16.0886 k = 0.5000-0.0000 0.6124 ( 2328 PWs) bands (ev): -29.5908 -29.5908 -11.2177 -11.2175 -11.2011 -11.2008 -10.6795 -10.6737 -9.2753 -9.2667 -9.2620 -9.2610 -8.2403 -8.2396 -8.2170 -8.2169 -8.2072 -8.2053 2.0455 2.0485 8.1291 8.5953 8.8044 9.4173 9.7340 9.8238 10.9226 10.9933 11.0553 11.1538 11.1701 11.2417 11.2733 11.3127 11.7698 11.8856 14.5716 14.6166 14.7125 15.1612 15.5094 15.5358 16.0273 16.0883 k = 0.5000-0.0000 0.6124 ( 2328 PWs) bands (ev): -29.5908 -29.5908 -11.2177 -11.2175 -11.2011 -11.2008 -10.6795 -10.6737 -9.2753 -9.2667 -9.2620 -9.2610 -8.2403 -8.2396 -8.2170 -8.2169 -8.2072 -8.2053 2.0455 2.0485 8.1291 8.5953 8.8044 9.4173 9.7340 9.8238 10.9226 10.9933 11.0553 11.1538 11.1701 11.2417 11.2733 11.3127 11.7698 11.8856 14.5716 14.6166 14.7125 15.1612 15.5094 15.5358 16.0273 16.0883 k = 0.5000 0.0082 0.6007 ( 2336 PWs) bands (ev): -29.5908 -29.5908 -11.2177 -11.2175 -11.2011 -11.2009 -10.6795 -10.6737 -9.2754 -9.2668 -9.2619 -9.2610 -8.2402 -8.2395 -8.2170 -8.2169 -8.2071 -8.2053 2.0455 2.0486 8.1270 8.5938 8.8021 9.4157 9.7366 9.8255 10.9230 10.9936 11.0558 11.1544 11.1705 11.2421 11.2734 11.3129 11.7696 11.8855 14.5722 14.6167 14.7115 15.1568 15.5169 15.5413 16.0279 16.0883 k = 0.5000 0.0165 0.5890 ( 2338 PWs) bands (ev): -29.5908 -29.5908 -11.2177 -11.2175 -11.2013 -11.2010 -10.6795 -10.6737 -9.2755 -9.2670 -9.2617 -9.2609 -8.2400 -8.2392 -8.2170 -8.2168 -8.2070 -8.2052 2.0456 2.0487 8.1209 8.5887 8.7962 9.4112 9.7439 9.8305 10.9245 10.9948 11.0575 11.1563 11.1719 11.2435 11.2740 11.3136 11.7691 11.8852 14.5739 14.6168 14.7087 15.1448 15.5383 15.5574 16.0296 16.0883 k = 0.5000 0.0247 0.5774 ( 2338 PWs) bands (ev): -29.5908 -29.5908 -11.2178 -11.2176 -11.2016 -11.2013 -10.6795 -10.6737 -9.2757 -9.2674 -9.2614 -9.2608 -8.2395 -8.2387 -8.2169 -8.2168 -8.2067 -8.2049 2.0458 2.0489 8.1107 8.5784 8.7890 9.4044 9.7551 9.8381 10.9270 10.9966 11.0604 11.1592 11.1743 11.2459 11.2749 11.3150 11.7683 11.8849 14.5770 14.6171 14.7048 15.1276 15.5700 15.5835 16.0325 16.0884 k = 0.5000 0.0330 0.5657 ( 2332 PWs) bands (ev): -29.5909 -29.5908 -11.2179 -11.2177 -11.2019 -11.2016 -10.6795 -10.6737 -9.2759 -9.2679 -9.2610 -9.2605 -8.2389 -8.2381 -8.2169 -8.2168 -8.2064 -8.2046 2.0460 2.0492 8.0967 8.5608 8.7837 9.3961 9.7691 9.8478 10.9304 10.9989 11.0643 11.1627 11.1778 11.2497 11.2759 11.3174 11.7675 11.8848 14.5814 14.6177 14.7006 15.1078 15.6080 15.6191 16.0369 16.0888 k = 0.5000 0.0412 0.5541 ( 2326 PWs) bands (ev): -29.5909 -29.5908 -11.2180 -11.2178 -11.2024 -11.2020 -10.6795 -10.6736 -9.2762 -9.2684 -9.2606 -9.2603 -8.2381 -8.2373 -8.2168 -8.2167 -8.2060 -8.2042 2.0463 2.0495 8.0791 8.5343 8.7829 9.3871 9.7845 9.8586 10.9347 11.0016 11.0691 11.1663 11.1825 11.2549 11.2769 11.3213 11.7667 11.8848 14.5871 14.6186 14.6970 15.0872 15.6492 15.6623 16.0429 16.0898 k = 0.5000 0.0495 0.5424 ( 2332 PWs) bands (ev): -29.5909 -29.5909 -11.2182 -11.2180 -11.2029 -11.2025 -10.6794 -10.6736 -9.2766 -9.2690 -9.2602 -9.2600 -8.2372 -8.2363 -8.2168 -8.2166 -8.2055 -8.2036 2.0466 2.0499 8.0579 8.4991 8.7877 9.3782 9.7999 9.8699 10.9396 11.0043 11.0746 11.1692 11.1884 11.2619 11.2774 11.3273 11.7661 11.8853 14.5940 14.6205 14.6951 15.0668 15.6924 15.7090 16.0509 16.0922 k = 0.5000 0.0577 0.5307 ( 2332 PWs) bands (ev): -29.5909 -29.5909 -11.2183 -11.2182 -11.2036 -11.2031 -10.6794 -10.6736 -9.2770 -9.2697 -9.2597 -9.2596 -8.2361 -8.2352 -8.2167 -8.2165 -8.2049 -8.2030 2.0470 2.0504 8.0337 8.4564 8.7978 9.3702 9.8145 9.8809 10.9449 11.0071 11.0804 11.1713 11.1953 11.2712 11.2771 11.3364 11.7661 11.8865 14.6011 14.6244 14.6958 15.0472 15.7357 15.7552 16.0619 16.0972 k = 0.5000 0.0660 0.5191 ( 2336 PWs) bands (ev): -29.5909 -29.5909 -11.2185 -11.2184 -11.2043 -11.2037 -10.6793 -10.6735 -9.2775 -9.2703 -9.2593 -9.2592 -8.2349 -8.2340 -8.2166 -8.2163 -8.2041 -8.2023 2.0475 2.0509 8.0065 8.4079 8.8125 9.3636 9.8275 9.8911 10.9502 11.0096 11.0864 11.1723 11.2023 11.2753 11.2838 11.3490 11.7666 11.8887 14.6065 14.6324 14.6995 15.0286 15.7760 15.7975 16.0767 16.1064 k = 0.5000 0.0742 0.5074 ( 2338 PWs) bands (ev): -29.5910 -29.5909 -11.2188 -11.2186 -11.2051 -11.2045 -10.6793 -10.6735 -9.2780 -9.2710 -9.2589 -9.2588 -8.2337 -8.2327 -8.2165 -8.2161 -8.2034 -8.2016 2.0480 2.0515 7.9767 8.3552 8.8307 9.3587 9.8384 9.9002 10.9554 11.0119 11.0920 11.1725 11.2085 11.2725 11.3001 11.3651 11.7681 11.8920 14.6096 14.6455 14.7071 15.0112 15.8100 15.8321 16.0959 16.1215 k = 0.5000 0.0825 0.4957 ( 2342 PWs) bands (ev): -29.5910 -29.5910 -11.2190 -11.2189 -11.2059 -11.2053 -10.6792 -10.6735 -9.2785 -9.2718 -9.2585 -9.2583 -8.2323 -8.2312 -8.2164 -8.2159 -8.2025 -8.2007 2.0486 2.0522 7.9446 8.2996 8.8519 9.3558 9.8472 9.9077 10.9601 11.0138 11.0972 11.1718 11.2128 11.2682 11.3213 11.3847 11.7707 11.8967 14.6110 14.6629 14.7188 14.9949 15.8350 15.8568 16.1191 16.1429 k = 0.5000 0.0907 0.4841 ( 2340 PWs) bands (ev): -29.5910 -29.5910 -11.2193 -11.2191 -11.2068 -11.2061 -10.6792 -10.6734 -9.2791 -9.2725 -9.2580 -9.2578 -8.2309 -8.2298 -8.2162 -8.2156 -8.2015 -8.1998 2.0492 2.0528 7.9106 8.2423 8.8754 9.3550 9.8539 9.9134 10.9643 11.0152 11.1016 11.1704 11.2151 11.2626 11.3473 11.4074 11.7747 11.9029 14.6116 14.6841 14.7349 14.9794 15.8499 15.8714 16.1437 16.1683 k = 0.5000 0.0990 0.4724 ( 2336 PWs) bands (ev): -29.5911 -29.5910 -11.2195 -11.2194 -11.2078 -11.2071 -10.6791 -10.6734 -9.2797 -9.2733 -9.2576 -9.2573 -8.2294 -8.2282 -8.2159 -8.2152 -8.2005 -8.1988 2.0499 2.0536 7.8751 8.1839 8.9008 9.3562 9.8587 9.9174 10.9677 11.0163 11.1053 11.1686 11.2154 11.2557 11.3774 11.4330 11.7800 11.9106 14.6116 14.7087 14.7555 14.9647 15.8554 15.8779 16.1657 16.1926 k = 0.5000 0.1072 0.4607 ( 2338 PWs) bands (ev): -29.5911 -29.5911 -11.2198 -11.2197 -11.2088 -11.2080 -10.6790 -10.6734 -9.2803 -9.2741 -9.2571 -9.2569 -8.2280 -8.2267 -8.2156 -8.2148 -8.1993 -8.1977 2.0506 2.0543 7.8383 8.1252 8.9277 9.3593 9.8618 9.9196 10.9704 11.0167 11.1082 11.1663 11.2141 11.2475 11.4106 11.4614 11.7869 11.9199 14.6112 14.7368 14.7806 14.9505 15.8529 15.8785 16.1809 16.2104 k = 0.5000 0.1155 0.4491 ( 2344 PWs) bands (ev): -29.5911 -29.5911 -11.2201 -11.2200 -11.2098 -11.2090 -10.6789 -10.6734 -9.2809 -9.2748 -9.2567 -9.2564 -8.2266 -8.2253 -8.2152 -8.2143 -8.1981 -8.1966 2.0513 2.0551 7.8008 8.0666 8.9556 9.3641 9.8635 9.9203 10.9723 11.0165 11.1103 11.1637 11.2115 11.2382 11.4456 11.4926 11.7953 11.9306 14.6102 14.7684 14.8100 14.9366 15.8445 15.8747 16.1864 16.2176 k = 0.5000 0.1237 0.4374 ( 2342 PWs) bands (ev): -29.5912 -29.5911 -11.2205 -11.2203 -11.2108 -11.2101 -10.6788 -10.6734 -9.2814 -9.2756 -9.2562 -9.2560 -8.2253 -8.2239 -8.2147 -8.2137 -8.1968 -8.1954 2.0521 2.0558 7.7628 8.0087 8.9844 9.3703 9.8643 9.9197 10.9736 11.0159 11.1116 11.1611 11.2079 11.2280 11.4810 11.5271 11.8053 11.9427 14.6086 14.8033 14.8435 14.9226 15.8321 15.8676 16.1807 16.2123 k = 0.5000 0.1320 0.4257 ( 2336 PWs) bands (ev): -29.5912 -29.5912 -11.2208 -11.2207 -11.2119 -11.2111 -10.6787 -10.6734 -9.2820 -9.2764 -9.2557 -9.2555 -8.2241 -8.2227 -8.2141 -8.2129 -8.1954 -8.1941 2.0528 2.0566 7.7247 7.9518 9.0137 9.3776 9.8644 9.9180 10.9742 11.0146 11.1122 11.1584 11.2036 11.2172 11.5161 11.5649 11.8169 11.9558 14.6063 14.8415 14.8803 14.9086 15.8169 15.8579 16.1636 16.1945 k = 0.5000 0.1402 0.4141 ( 2340 PWs) bands (ev): -29.5912 -29.5912 -11.2211 -11.2210 -11.2130 -11.2122 -10.6786 -10.6734 -9.2826 -9.2772 -9.2553 -9.2551 -8.2231 -8.2217 -8.2132 -8.2121 -8.1940 -8.1928 2.0537 2.0574 7.6869 7.8962 9.0433 9.3856 9.8641 9.9155 10.9741 11.0126 11.1120 11.1559 11.1986 11.2061 11.5504 11.6052 11.8299 11.9698 14.6031 14.8826 14.8922 14.9223 15.7997 15.8460 16.1357 16.1651 k = 0.5000 0.1485 0.4024 ( 2340 PWs) bands (ev): -29.5913 -29.5913 -11.2214 -11.2213 -11.2140 -11.2132 -10.6785 -10.6735 -9.2832 -9.2780 -9.2548 -9.2546 -8.2222 -8.2209 -8.2122 -8.2111 -8.1925 -8.1914 2.0545 2.0582 7.6496 7.8422 9.0727 9.3938 9.8639 9.9125 10.9735 11.0100 11.1111 11.1535 11.1916 11.1964 11.5843 11.6473 11.8442 11.9843 14.5988 14.8762 14.9268 14.9656 15.7813 15.8325 16.0985 16.1260 k = 0.5000 0.1567 0.3908 ( 2336 PWs) bands (ev): -29.5913 -29.5913 -11.2218 -11.2216 -11.2151 -11.2143 -10.6784 -10.6735 -9.2837 -9.2788 -9.2544 -9.2542 -8.2215 -8.2202 -8.2111 -8.2101 -8.1909 -8.1899 2.0553 2.0590 7.6132 7.7900 9.1018 9.4020 9.8639 9.9093 10.9726 11.0069 11.1095 11.1514 11.1809 11.1905 11.6181 11.6901 11.8598 11.9992 14.5932 14.8585 14.9732 15.0118 15.7621 15.8177 16.0536 16.0793 k = 0.5000 0.1650 0.3791 ( 2340 PWs) bands (ev): -29.5914 -29.5913 -11.2221 -11.2220 -11.2161 -11.2153 -10.6782 -10.6736 -9.2843 -9.2796 -9.2540 -9.2538 -8.2209 -8.2197 -8.2100 -8.2090 -8.1893 -8.1884 2.0561 2.0597 7.5780 7.7399 9.1303 9.4098 9.8643 9.9062 10.9711 11.0031 11.1073 11.1493 11.1694 11.1855 11.6519 11.7328 11.8767 12.0142 14.5862 14.8389 15.0215 15.0602 15.7426 15.8017 16.0034 16.0272 k = 0.5000 0.1732 0.3674 ( 2342 PWs) bands (ev): -29.5914 -29.5914 -11.2224 -11.2223 -11.2171 -11.2164 -10.6781 -10.6737 -9.2848 -9.2803 -9.2536 -9.2534 -8.2204 -8.2194 -8.2087 -8.2079 -8.1877 -8.1869 2.0570 2.0604 7.5442 7.6920 9.1579 9.4168 9.8655 9.9033 10.9694 10.9988 11.1046 11.1467 11.1589 11.1810 11.6857 11.7747 11.8949 12.0290 14.5774 14.8170 15.0711 15.1101 15.7232 15.7848 15.9500 15.9723 k = 0.5000 0.1815 0.3558 ( 2342 PWs) bands (ev): -29.5914 -29.5914 -11.2227 -11.2226 -11.2181 -11.2174 -10.6780 -10.6738 -9.2852 -9.2811 -9.2532 -9.2531 -8.2200 -8.2191 -8.2075 -8.2068 -8.1860 -8.1854 2.0578 2.0611 7.5120 7.6465 9.1845 9.4228 9.8674 9.9009 10.9674 10.9941 11.1016 11.1411 11.1518 11.1767 11.7197 11.8148 11.9145 12.0436 14.5667 14.7925 15.1214 15.1609 15.7040 15.7669 15.8959 15.9167 k = 0.5000 0.1897 0.3441 ( 2352 PWs) bands (ev): -29.5915 -29.5915 -11.2230 -11.2229 -11.2190 -11.2183 -10.6779 -10.6739 -9.2857 -9.2818 -9.2528 -9.2527 -8.2196 -8.2188 -8.2064 -8.2058 -8.1844 -8.1839 2.0586 2.0618 7.4817 7.6036 9.2097 9.4276 9.8701 9.8991 10.9652 10.9890 11.0984 11.1320 11.1491 11.1728 11.7535 11.8521 11.9361 12.0577 14.5538 14.7651 15.1717 15.2118 15.6854 15.7476 15.8439 15.8624 k = 0.5000 0.1979 0.3324 ( 2346 PWs) bands (ev): -29.5915 -29.5915 -11.2233 -11.2232 -11.2199 -11.2192 -10.6777 -10.6740 -9.2861 -9.2825 -9.2525 -9.2524 -8.2193 -8.2186 -8.2053 -8.2048 -8.1828 -8.1824 2.0593 2.0624 7.4535 7.5633 9.2335 9.4311 9.8737 9.8980 10.9630 10.9839 11.0950 11.1222 11.1478 11.1693 11.7870 11.8854 11.9604 12.0715 14.5388 14.7349 15.2210 15.2621 15.6675 15.7257 15.7972 15.8114 k = 0.5000 0.2062 0.3208 ( 2346 PWs) bands (ev): -29.5915 -29.5915 -11.2236 -11.2235 -11.2207 -11.2201 -10.6776 -10.6741 -9.2864 -9.2831 -9.2521 -9.2521 -8.2191 -8.2185 -8.2043 -8.2039 -8.1813 -8.1810 2.0601 2.0629 7.4275 7.5258 9.2558 9.4332 9.8779 9.8976 10.9607 10.9787 11.0916 11.1128 11.1471 11.1662 11.8198 11.9138 11.9875 12.0847 14.5218 14.7019 15.2685 15.3106 15.6500 15.6999 15.7580 15.7666 k = 0.5000 0.2144 0.3091 ( 2346 PWs) bands (ev): -29.5916 -29.5916 -11.2239 -11.2237 -11.2214 -11.2209 -10.6774 -10.6743 -9.2867 -9.2837 -9.2518 -9.2518 -8.2189 -8.2183 -8.2033 -8.2030 -8.1798 -8.1796 2.0608 2.0634 7.4040 7.4912 9.2763 9.4340 9.8825 9.8979 10.9583 10.9736 11.0882 11.1042 11.1466 11.1634 11.8515 11.9373 12.0169 12.0976 14.5030 14.6665 15.3129 15.3562 15.6321 15.6728 15.7192 15.7369 k = 0.5000 0.2227 0.2974 ( 2344 PWs) bands (ev): -29.5916 -29.5916 -11.2242 -11.2240 -11.2220 -11.2216 -10.6772 -10.6744 -9.2870 -9.2843 -9.2516 -9.2515 -8.2187 -8.2182 -8.2025 -8.2022 -8.1785 -8.1783 2.0615 2.0639 7.3830 7.4595 9.2952 9.4335 9.8874 9.8989 10.9561 10.9688 11.0849 11.0965 11.1463 11.1609 11.8816 11.9570 12.0468 12.1100 14.4830 14.6295 15.3528 15.3972 15.6119 15.6519 15.6829 15.7175 k = 0.5000 0.2309 0.2858 ( 2340 PWs) bands (ev): -29.5916 -29.5916 -11.2245 -11.2242 -11.2226 -11.2223 -10.6771 -10.6746 -9.2872 -9.2849 -9.2513 -9.2513 -8.2185 -8.2182 -8.2017 -8.2015 -8.1772 -8.1771 2.0621 2.0642 7.3646 7.4309 9.3125 9.4318 9.8924 9.9005 10.9539 10.9644 11.0816 11.0896 11.1461 11.1587 11.9095 11.9736 12.0759 12.1222 14.4626 14.5916 15.3868 15.4312 15.5918 15.6405 15.6521 15.7031 k = 0.5000 0.2392 0.2741 ( 2344 PWs) bands (ev): -29.5916 -29.5916 -11.2247 -11.2245 -11.2231 -11.2228 -10.6769 -10.6747 -9.2874 -9.2854 -9.2511 -9.2511 -8.2184 -8.2181 -8.2011 -8.2009 -8.1761 -8.1761 2.0627 2.0645 7.3491 7.4054 9.3281 9.4290 9.8970 9.9024 10.9519 10.9604 11.0786 11.0837 11.1461 11.1567 11.9346 11.9876 12.1027 12.1341 14.4428 14.5540 15.4132 15.4551 15.5775 15.6268 15.6375 15.6924 k = 0.5000 0.2474 0.2624 ( 2346 PWs) bands (ev): -29.5917 -29.5916 -11.2249 -11.2247 -11.2235 -11.2233 -10.6767 -10.6749 -9.2875 -9.2858 -9.2509 -9.2509 -8.2183 -8.2180 -8.2005 -8.2004 -8.1752 -8.1751 2.0632 2.0648 7.3365 7.3830 9.3422 9.4253 9.9013 9.9045 10.9502 10.9568 11.0758 11.0788 11.1462 11.1550 11.9566 11.9991 12.1264 12.1458 14.4246 14.5178 15.4311 15.4667 15.5722 15.6075 15.6410 15.6855 k = 0.5000 0.2557 0.2508 ( 2356 PWs) bands (ev): -29.5917 -29.5917 -11.2251 -11.2249 -11.2238 -11.2237 -10.6766 -10.6751 -9.2876 -9.2862 -9.2508 -9.2508 -8.2182 -8.2180 -8.2001 -8.2000 -8.1744 -8.1743 2.0637 2.0649 7.3269 7.3639 9.3549 9.4206 9.9049 9.9066 10.9487 10.9538 11.0733 11.0749 11.1464 11.1534 11.9752 12.0080 12.1464 12.1567 14.4094 14.4844 15.4412 15.4683 15.5732 15.5936 15.6496 15.6825 k = 0.5000 0.2639 0.2391 ( 2352 PWs) bands (ev): -29.5917 -29.5917 -11.2253 -11.2251 -11.2240 -11.2239 -10.6764 -10.6753 -9.2876 -9.2866 -9.2507 -9.2507 -8.2181 -8.2180 -8.1997 -8.1997 -8.1737 -8.1737 2.0641 2.0650 7.3204 7.3479 9.3664 9.4153 9.9079 9.9086 10.9476 10.9514 11.0713 11.0720 11.1468 11.1521 11.9904 12.0143 12.1622 12.1667 14.3983 14.4548 15.4457 15.4650 15.5754 15.5844 15.6606 15.6827 k = 0.5000 0.2722 0.2275 ( 2352 PWs) bands (ev): -29.5917 -29.5917 -11.2254 -11.2253 -11.2241 -11.2241 -10.6762 -10.6755 -9.2876 -9.2869 -9.2506 -9.2506 -8.2181 -8.2180 -8.1995 -8.1994 -8.1733 -8.1733 2.0644 2.0650 7.3169 7.3352 9.3768 9.4091 9.9100 9.9102 10.9470 10.9494 11.0697 11.0699 11.1474 11.1508 12.0021 12.0178 12.1735 12.1748 14.3923 14.4301 15.4476 15.4603 15.5763 15.5789 15.6712 15.6844 k = 0.5000 0.2804 0.2158 ( 2352 PWs) bands (ev): -29.5917 -29.5917 -11.2255 -11.2254 -11.2242 -11.2242 -10.6760 -10.6756 -9.2875 -9.2872 -9.2505 -9.2505 -8.2180 -8.2180 -8.1993 -8.1993 -8.1730 -8.1730 2.0647 2.0650 7.3167 7.3258 9.3861 9.4022 9.9113 9.9113 10.9468 10.9480 11.0687 11.0688 11.1480 11.1498 12.0106 12.0183 12.1801 12.1803 14.3922 14.4111 15.4494 15.4557 15.5761 15.5764 15.6793 15.6854 k = 0.5000 0.2887 0.2041 ( 2362 PWs) bands (ev): -29.5917 -29.5917 -11.2255 -11.2255 -11.2242 -11.2242 -10.6758 -10.6758 -9.2874 -9.2874 -9.2505 -9.2505 -8.2180 -8.2180 -8.1993 -8.1993 -8.1729 -8.1729 2.0649 2.0649 7.3196 7.3196 9.3945 9.3945 9.9116 9.9116 10.9471 10.9471 11.0683 11.0683 11.1488 11.1488 12.0159 12.0159 12.1822 12.1822 14.3984 14.3984 15.4520 15.4520 15.5757 15.5757 15.6840 15.6840 k = 0.5000 0.2887 0.2041 ( 2362 PWs) bands (ev): -29.5917 -29.5917 -11.2255 -11.2255 -11.2242 -11.2242 -10.6758 -10.6758 -9.2874 -9.2874 -9.2505 -9.2505 -8.2180 -8.2180 -8.1993 -8.1993 -8.1729 -8.1729 2.0649 2.0649 7.3196 7.3196 9.3945 9.3945 9.9116 9.9116 10.9471 10.9471 11.0683 11.0683 11.1488 11.1488 12.0159 12.0159 12.1822 12.1822 14.3984 14.3984 15.4520 15.4520 15.5757 15.5757 15.6840 15.6840 k = 0.4960 0.2863 0.2173 ( 2353 PWs) bands (ev): -29.5917 -29.5917 -11.2255 -11.2254 -11.2242 -11.2242 -10.6760 -10.6757 -9.2875 -9.2872 -9.2505 -9.2505 -8.2180 -8.2180 -8.1993 -8.1993 -8.1730 -8.1730 2.0647 2.0650 7.3167 7.3256 9.3863 9.4021 9.9113 9.9113 10.9468 10.9480 11.0687 11.0687 11.1481 11.1498 12.0107 12.0183 12.1803 12.1803 14.3923 14.4108 15.4494 15.4556 15.5761 15.5763 15.6794 15.6854 k = 0.4919 0.2840 0.2305 ( 2347 PWs) bands (ev): -29.5917 -29.5917 -11.2254 -11.2253 -11.2241 -11.2241 -10.6762 -10.6755 -9.2876 -9.2869 -9.2506 -9.2506 -8.2181 -8.2180 -8.1995 -8.1994 -8.1732 -8.1732 2.0644 2.0650 7.3169 7.3348 9.3772 9.4088 9.9102 9.9103 10.9470 10.9494 11.0698 11.0698 11.1474 11.1508 12.0026 12.0179 12.1743 12.1747 14.3922 14.4292 15.4478 15.4601 15.5769 15.5781 15.6716 15.6845 k = 0.4879 0.2817 0.2436 ( 2347 PWs) bands (ev): -29.5917 -29.5917 -11.2253 -11.2251 -11.2240 -11.2240 -10.6764 -10.6753 -9.2876 -9.2866 -9.2507 -9.2507 -8.2181 -8.2180 -8.1997 -8.1997 -8.1737 -8.1737 2.0641 2.0650 7.3200 7.3470 9.3671 9.4149 9.9082 9.9087 10.9476 10.9512 11.0714 11.0716 11.1469 11.1520 11.9913 12.0146 12.1646 12.1660 14.3977 14.4530 15.4466 15.4644 15.5772 15.5814 15.6616 15.6831 k = 0.4839 0.2794 0.2568 ( 2350 PWs) bands (ev): -29.5917 -29.5917 -11.2251 -11.2249 -11.2238 -11.2237 -10.6765 -10.6751 -9.2876 -9.2863 -9.2508 -9.2508 -8.2182 -8.2180 -8.2001 -8.2000 -8.1743 -8.1743 2.0637 2.0649 7.3262 7.3623 9.3560 9.4202 9.9055 9.9066 10.9486 10.9536 11.0737 11.0740 11.1465 11.1533 11.9769 12.0083 12.1514 12.1545 14.4082 14.4815 15.4448 15.4670 15.5757 15.5851 15.6523 15.6841 k = 0.4798 0.2770 0.2700 ( 2348 PWs) bands (ev): -29.5917 -29.5917 -11.2250 -11.2247 -11.2235 -11.2234 -10.6767 -10.6749 -9.2876 -9.2859 -9.2509 -9.2509 -8.2183 -8.2180 -8.2005 -8.2004 -8.1751 -8.1750 2.0633 2.0648 7.3353 7.3807 9.3437 9.4248 9.9022 9.9043 10.9501 10.9564 11.0767 11.0772 11.1462 11.1548 11.9594 11.9990 12.1355 12.1410 14.4225 14.5137 15.4413 15.4662 15.5714 15.5853 15.6501 15.6907 k = 0.4758 0.2747 0.2831 ( 2342 PWs) bands (ev): -29.5916 -29.5916 -11.2247 -11.2245 -11.2231 -11.2229 -10.6769 -10.6748 -9.2874 -9.2854 -9.2511 -9.2511 -8.2184 -8.2181 -8.2010 -8.2009 -8.1760 -8.1759 2.0627 2.0646 7.3473 7.4022 9.3300 9.4286 9.8984 9.9020 10.9518 10.9597 11.0801 11.0811 11.1462 11.1565 11.9388 11.9865 12.1177 12.1259 14.4395 14.5482 15.4349 15.4600 15.5646 15.5789 15.6612 15.7049 k = 0.4718 0.2724 0.2963 ( 2337 PWs) bands (ev): -29.5916 -29.5916 -11.2245 -11.2243 -11.2227 -11.2224 -10.6770 -10.6746 -9.2873 -9.2849 -9.2513 -9.2513 -8.2185 -8.2181 -8.2016 -8.2014 -8.1770 -8.1770 2.0622 2.0643 7.3620 7.4267 9.3148 9.4314 9.8943 9.8997 10.9540 10.9635 11.0842 11.0857 11.1462 11.1583 11.9152 11.9705 12.0986 12.1098 14.4575 14.5835 15.4246 15.4473 15.5567 15.5691 15.6846 15.7272 k = 0.4677 0.2701 0.3095 ( 2342 PWs) bands (ev): -29.5916 -29.5916 -11.2242 -11.2240 -11.2222 -11.2218 -10.6772 -10.6744 -9.2871 -9.2844 -9.2515 -9.2515 -8.2187 -8.2182 -8.2023 -8.2021 -8.1782 -8.1781 2.0616 2.0639 7.3795 7.4542 9.2981 9.4332 9.8901 9.8978 10.9562 10.9676 11.0886 11.0908 11.1465 11.1604 11.8890 11.9507 12.0791 12.0928 14.4749 14.6178 15.4105 15.4283 15.5497 15.5605 15.7168 15.7571 k = 0.4637 0.2677 0.3226 ( 2345 PWs) bands (ev): -29.5916 -29.5916 -11.2239 -11.2238 -11.2216 -11.2211 -10.6774 -10.6743 -9.2868 -9.2838 -9.2518 -9.2517 -8.2188 -8.2183 -8.2031 -8.2029 -8.1795 -8.1794 2.0609 2.0635 7.3995 7.4846 9.2796 9.4338 9.8861 9.8964 10.9587 10.9721 11.0934 11.0967 11.1470 11.1627 11.8605 11.9275 12.0597 12.0753 14.4900 14.6490 15.3939 15.4054 15.5445 15.5545 15.7561 15.7940 k = 0.4597 0.2654 0.3358 ( 2347 PWs) bands (ev): -29.5915 -29.5915 -11.2237 -11.2235 -11.2209 -11.2203 -10.6775 -10.6742 -9.2865 -9.2832 -9.2521 -9.2520 -8.2190 -8.2184 -8.2040 -8.2037 -8.1809 -8.1808 2.0602 2.0630 7.4219 7.5179 9.2594 9.4331 9.8825 9.8956 10.9612 10.9770 11.0984 11.1031 11.1478 11.1652 11.8302 11.9011 12.0407 12.0573 14.5008 14.6748 15.3769 15.3819 15.5413 15.5508 15.8013 15.8370 k = 0.4556 0.2631 0.3490 ( 2345 PWs) bands (ev): -29.5915 -29.5915 -11.2233 -11.2232 -11.2201 -11.2195 -10.6777 -10.6740 -9.2862 -9.2826 -9.2524 -9.2523 -8.2192 -8.2186 -8.2050 -8.2046 -8.1824 -8.1822 2.0595 2.0625 7.4467 7.5540 9.2373 9.4310 9.8797 9.8958 10.9638 10.9821 11.1035 11.1101 11.1491 11.1681 11.7986 11.8721 12.0221 12.0390 14.5056 14.6927 15.3613 15.3618 15.5398 15.5491 15.8514 15.8856 k = 0.4516 0.2607 0.3622 ( 2347 PWs) bands (ev): -29.5915 -29.5915 -11.2230 -11.2229 -11.2193 -11.2187 -10.6778 -10.6739 -9.2858 -9.2820 -9.2527 -9.2526 -8.2195 -8.2188 -8.2060 -8.2055 -8.1839 -8.1837 2.0587 2.0619 7.4737 7.5928 9.2134 9.4274 9.8778 9.8969 10.9663 10.9874 11.1086 11.1176 11.1508 11.1713 11.7659 11.8411 12.0038 12.0203 14.5030 14.7001 15.3471 15.3508 15.5398 15.5490 15.9056 15.9388 k = 0.4476 0.2584 0.3753 ( 2349 PWs) bands (ev): -29.5914 -29.5914 -11.2227 -11.2226 -11.2185 -11.2178 -10.6779 -10.6738 -9.2854 -9.2813 -9.2530 -9.2529 -8.2198 -8.2190 -8.2071 -8.2065 -8.1855 -8.1853 2.0579 2.0612 7.5026 7.6342 9.1877 9.4222 9.8772 9.8990 10.9687 10.9928 11.1133 11.1255 11.1534 11.1749 11.7326 11.8086 11.9857 12.0014 14.4919 14.6953 15.3416 15.3454 15.5412 15.5503 15.9627 15.9956 k = 0.4435 0.2561 0.3885 ( 2349 PWs) bands (ev): -29.5914 -29.5914 -11.2223 -11.2222 -11.2176 -11.2169 -10.6781 -10.6737 -9.2850 -9.2806 -9.2534 -9.2533 -8.2201 -8.2192 -8.2082 -8.2076 -8.1871 -8.1869 2.0570 2.0604 7.5333 7.6781 9.1602 9.4155 9.8780 9.9023 10.9709 10.9983 11.1176 11.1338 11.1569 11.1789 11.6990 11.7754 11.9677 11.9822 14.4721 14.6779 15.3458 15.3466 15.5438 15.5530 16.0217 16.0549 k = 0.4395 0.2538 0.4017 ( 2349 PWs) bands (ev): -29.5914 -29.5914 -11.2219 -11.2218 -11.2167 -11.2159 -10.6782 -10.6736 -9.2845 -9.2798 -9.2537 -9.2536 -8.2205 -8.2195 -8.2094 -8.2086 -8.1887 -8.1885 2.0561 2.0596 7.5655 7.7244 9.1311 9.4073 9.8804 9.9067 10.9729 11.0037 11.1212 11.1424 11.1614 11.1833 11.6654 11.7416 11.9498 11.9628 14.4440 14.6489 15.3544 15.3594 15.5476 15.5571 16.0812 16.1155 k = 0.4355 0.2514 0.4148 ( 2343 PWs) bands (ev): -29.5913 -29.5913 -11.2216 -11.2215 -11.2158 -11.2149 -10.6783 -10.6736 -9.2840 -9.2791 -9.2541 -9.2540 -8.2210 -8.2199 -8.2106 -8.2097 -8.1904 -8.1901 2.0551 2.0588 7.5991 7.7730 9.1006 9.3979 9.8843 9.9122 10.9746 11.0090 11.1242 11.1512 11.1670 11.1882 11.6321 11.7079 11.9320 11.9434 14.4085 14.6103 15.3685 15.3809 15.5527 15.5628 16.1397 16.1760 k = 0.4315 0.2491 0.4280 ( 2339 PWs) bands (ev): -29.5913 -29.5913 -11.2211 -11.2211 -11.2148 -11.2140 -10.6784 -10.6735 -9.2836 -9.2784 -9.2544 -9.2544 -8.2216 -8.2204 -8.2117 -8.2107 -8.1920 -8.1917 2.0541 2.0578 7.6337 7.8237 9.0687 9.3874 9.8899 9.9190 10.9759 11.0140 11.1267 11.1600 11.1735 11.1937 11.5993 11.6743 11.9142 11.9240 14.3669 14.5643 15.3881 15.4083 15.5592 15.5702 16.1953 16.2346 k = 0.4274 0.2468 0.4412 ( 2343 PWs) bands (ev): -29.5913 -29.5912 -11.2207 -11.2206 -11.2139 -11.2130 -10.6785 -10.6735 -9.2831 -9.2776 -9.2548 -9.2547 -8.2222 -8.2209 -8.2128 -8.2117 -8.1936 -8.1934 2.0530 2.0568 7.6691 7.8763 9.0356 9.3763 9.8971 9.9267 10.9767 11.0184 11.1288 11.1686 11.1806 11.1997 11.5670 11.6411 11.8966 11.9046 14.3205 14.5132 15.4121 15.4398 15.5671 15.5795 16.2461 16.2896 k = 0.4234 0.2444 0.4543 ( 2341 PWs) bands (ev): -29.5912 -29.5912 -11.2203 -11.2202 -11.2129 -11.2120 -10.6786 -10.6734 -9.2826 -9.2769 -9.2551 -9.2551 -8.2229 -8.2216 -8.2138 -8.2126 -8.1952 -8.1950 2.0518 2.0557 7.7049 7.9307 9.0016 9.3648 9.9058 9.9356 10.9771 11.0222 11.1310 11.1770 11.1882 11.2062 11.5355 11.6086 11.8793 11.8855 14.2707 14.4586 15.4396 15.4737 15.5765 15.5915 16.2900 16.3388 k = 0.4194 0.2421 0.4675 ( 2342 PWs) bands (ev): -29.5912 -29.5912 -11.2198 -11.2198 -11.2120 -11.2111 -10.6787 -10.6734 -9.2821 -9.2762 -9.2555 -9.2554 -8.2237 -8.2225 -8.2147 -8.2134 -8.1968 -8.1965 2.0506 2.0545 7.7407 7.9866 8.9669 9.3533 9.9159 9.9455 10.9771 11.0253 11.1334 11.1849 11.1961 11.2132 11.5050 11.5767 11.8623 11.8668 14.2186 14.4020 15.4698 15.5082 15.5876 15.6068 16.3250 16.3800 k = 0.4153 0.2398 0.4807 ( 2342 PWs) bands (ev): -29.5912 -29.5911 -11.2194 -11.2193 -11.2111 -11.2102 -10.6788 -10.6734 -9.2817 -9.2755 -9.2558 -9.2556 -8.2246 -8.2234 -8.2155 -8.2142 -8.1983 -8.1981 2.0493 2.0531 7.7763 8.0439 8.9318 9.3424 9.9274 9.9563 10.9767 11.0274 11.1361 11.1922 11.2041 11.2207 11.4756 11.5458 11.8459 11.8486 14.1652 14.3446 15.5015 15.5410 15.6007 15.6269 16.3493 16.4112 k = 0.4113 0.2375 0.4938 ( 2334 PWs) bands (ev): -29.5911 -29.5911 -11.2189 -11.2188 -11.2102 -11.2093 -10.6788 -10.6734 -9.2812 -9.2748 -9.2561 -9.2558 -8.2255 -8.2244 -8.2162 -8.2149 -8.1998 -8.1996 2.0478 2.0516 7.8111 8.1022 8.8966 9.3325 9.9400 9.9680 10.9759 11.0287 11.1394 11.1988 11.2122 11.2285 11.4477 11.5159 11.8301 11.8311 14.1114 14.2871 15.5339 15.5703 15.6160 15.6533 16.3620 16.4308 k = 0.4073 0.2351 0.5070 ( 2335 PWs) bands (ev): -29.5911 -29.5911 -11.2184 -11.2183 -11.2094 -11.2085 -10.6789 -10.6734 -9.2808 -9.2742 -9.2563 -9.2560 -8.2264 -8.2255 -8.2168 -8.2155 -8.2012 -8.2011 2.0462 2.0500 7.8448 8.1610 8.8616 9.3240 9.9537 9.9805 10.9747 11.0288 11.1431 11.2044 11.2201 11.2364 11.4212 11.4870 11.8144 11.8151 14.0577 14.2302 15.5655 15.5954 15.6344 15.6858 16.3633 16.4384 k = 0.4032 0.2328 0.5202 ( 2335 PWs) bands (ev): -29.5911 -29.5910 -11.2179 -11.2179 -11.2086 -11.2077 -10.6789 -10.6734 -9.2805 -9.2737 -9.2565 -9.2561 -8.2273 -8.2266 -8.2173 -8.2161 -8.2026 -8.2026 2.0444 2.0482 7.8770 8.2200 8.8274 9.3173 9.9683 9.9938 10.9732 11.0279 11.1474 11.2088 11.2278 11.2444 11.3967 11.4591 11.7988 11.8010 14.0048 14.1745 15.5951 15.6176 15.6565 15.7228 16.3544 16.4351 k = 0.3992 0.2305 0.5334 ( 2331 PWs) bands (ev): -29.5910 -29.5910 -11.2175 -11.2174 -11.2078 -11.2070 -10.6789 -10.6734 -9.2802 -9.2732 -9.2567 -9.2561 -8.2283 -8.2276 -8.2178 -8.2166 -8.2040 -8.2039 2.0425 2.0462 7.9073 8.2782 8.7948 9.3130 9.9839 10.0078 10.9715 11.0263 11.1521 11.2113 11.2352 11.2523 11.3744 11.4323 11.7845 11.7880 13.9532 14.1203 15.6216 15.6385 15.6827 15.7622 16.3376 16.4233 k = 0.3952 0.2281 0.5465 ( 2331 PWs) bands (ev): -29.5910 -29.5910 -11.2170 -11.2169 -11.2071 -11.2063 -10.6789 -10.6734 -9.2799 -9.2727 -9.2567 -9.2561 -8.2291 -8.2286 -8.2184 -8.2172 -8.2053 -8.2052 2.0403 2.0439 7.9352 8.3344 8.7650 9.3112 10.0002 10.0224 10.9696 11.0240 11.1570 11.2114 11.2424 11.2603 11.3548 11.4067 11.7715 11.7761 13.9032 14.0681 15.6453 15.6591 15.7120 15.8021 16.3155 16.4057 k = 0.3911 0.2258 0.5597 ( 2332 PWs) bands (ev): -29.5910 -29.5909 -11.2165 -11.2164 -11.2065 -11.2057 -10.6789 -10.6734 -9.2797 -9.2724 -9.2567 -9.2560 -8.2299 -8.2295 -8.2189 -8.2177 -8.2066 -8.2064 2.0379 2.0414 7.9604 8.3862 8.7402 9.3125 10.0171 10.0376 10.9677 11.0212 11.1619 11.2085 11.2492 11.2682 11.3384 11.3822 11.7601 11.7656 13.8551 14.0179 15.6673 15.6799 15.7426 15.8411 16.2907 16.3852 k = 0.3871 0.2235 0.5729 ( 2329 PWs) bands (ev): -29.5910 -29.5909 -11.2160 -11.2159 -11.2060 -11.2052 -10.6788 -10.6734 -9.2796 -9.2722 -9.2566 -9.2558 -8.2306 -8.2303 -8.2195 -8.2183 -8.2078 -8.2075 2.0351 2.0386 7.9827 8.4297 8.7246 9.3170 10.0347 10.0532 10.9658 11.0182 11.1666 11.2023 11.2557 11.2763 11.3253 11.3590 11.7503 11.7563 13.8090 13.9702 15.6883 15.7009 15.7725 15.8776 16.2659 16.3640 k = 0.3831 0.2212 0.5860 ( 2329 PWs) bands (ev): -29.5909 -29.5909 -11.2155 -11.2154 -11.2055 -11.2047 -10.6788 -10.6733 -9.2795 -9.2720 -9.2564 -9.2555 -8.2312 -8.2310 -8.2201 -8.2189 -8.2089 -8.2085 2.0321 2.0355 8.0018 8.4586 8.7242 9.3249 10.0527 10.0694 10.9641 11.0153 11.1707 11.1931 11.2620 11.2842 11.3153 11.3372 11.7424 11.7485 13.7653 13.9248 15.7088 15.7223 15.8005 15.9097 16.2439 16.3439 k = 0.3790 0.2188 0.5992 ( 2329 PWs) bands (ev): -29.5909 -29.5909 -11.2150 -11.2149 -11.2051 -11.2043 -10.6787 -10.6733 -9.2794 -9.2719 -9.2561 -9.2551 -8.2317 -8.2316 -8.2208 -8.2195 -8.2099 -8.2095 2.0287 2.0320 8.0176 8.4683 8.7436 9.3363 10.0713 10.0859 10.9625 11.0126 11.1739 11.1814 11.2681 11.2918 11.3080 11.3171 11.7362 11.7421 13.7238 13.8819 15.7286 15.7436 15.8252 15.9348 16.2275 16.3257 k = 0.3750 0.2165 0.6124 ( 2329 PWs) bands (ev): -29.5909 -29.5909 -11.2145 -11.2144 -11.2048 -11.2040 -10.6786 -10.6733 -9.2793 -9.2719 -9.2557 -9.2547 -8.2320 -8.2320 -8.2215 -8.2202 -8.2109 -8.2103 2.0248 2.0281 8.0302 8.4608 8.7809 9.3510 10.0901 10.1028 10.9611 11.0103 11.1684 11.1756 11.2733 11.2955 11.2997 11.3060 11.7319 11.7371 13.6848 13.8416 15.7475 15.7645 15.8456 15.9498 16.2197 16.3096 k = 0.6250-0.0722 0.4082 ( 2329 PWs) bands (ev): -29.5909 -29.5909 -11.2145 -11.2144 -11.2048 -11.2040 -10.6786 -10.6733 -9.2793 -9.2719 -9.2557 -9.2547 -8.2320 -8.2320 -8.2215 -8.2202 -8.2109 -8.2103 2.0248 2.0281 8.0302 8.4608 8.7809 9.3510 10.0901 10.1028 10.9611 11.0103 11.1684 11.1756 11.2733 11.2955 11.2997 11.3060 11.7319 11.7371 13.6848 13.8416 15.7475 15.7645 15.8456 15.9498 16.2197 16.3096 k = 0.6181-0.0842 0.4082 ( 2330 PWs) bands (ev): -29.5909 -29.5909 -11.2136 -11.2135 -11.2043 -11.2036 -10.6783 -10.6732 -9.2793 -9.2720 -9.2549 -9.2539 -8.2327 -8.2326 -8.2230 -8.2216 -8.2122 -8.2116 2.0176 2.0206 8.0480 8.4362 8.8590 9.3822 10.1232 10.1324 10.9588 11.0069 11.1446 11.1761 11.2735 11.2808 11.2940 11.3117 11.7267 11.7303 13.6217 13.7761 15.7759 15.7975 15.8764 15.9628 16.2086 16.2709 k = 0.6111-0.0962 0.4082 ( 2330 PWs) bands (ev): -29.5909 -29.5909 -11.2128 -11.2127 -11.2038 -11.2032 -10.6781 -10.6732 -9.2793 -9.2722 -9.2540 -9.2530 -8.2333 -8.2331 -8.2246 -8.2233 -8.2133 -8.2126 2.0098 2.0127 8.0638 8.4117 8.9409 9.4187 10.1567 10.1624 10.9560 11.0033 11.1199 11.1730 11.2505 11.2883 11.2929 11.3178 11.7229 11.7247 13.5625 13.7142 15.7971 15.8251 15.9064 15.9669 16.1844 16.2105 k = 0.6042-0.1083 0.4082 ( 2332 PWs) bands (ev): -29.5909 -29.5909 -11.2119 -11.2118 -11.2034 -11.2028 -10.6778 -10.6731 -9.2792 -9.2724 -9.2530 -9.2520 -8.2340 -8.2337 -8.2264 -8.2252 -8.2141 -8.2135 2.0017 2.0044 8.0774 8.3878 9.0252 9.4601 10.1905 10.1924 10.9525 10.9995 11.0950 11.1627 11.2335 11.2921 11.2965 11.3241 11.7205 11.7207 13.5071 13.6558 15.8082 15.8440 15.9351 15.9565 16.1413 16.1507 k = 0.5972-0.1203 0.4082 ( 2330 PWs) bands (ev): -29.5909 -29.5909 -11.2111 -11.2110 -11.2029 -11.2024 -10.6775 -10.6730 -9.2792 -9.2726 -9.2519 -9.2511 -8.2347 -8.2343 -8.2282 -8.2271 -8.2148 -8.2142 1.9934 1.9959 8.0891 8.3649 9.1113 9.5057 10.2222 10.2240 10.9476 10.9951 11.0707 11.1432 11.2252 11.2914 11.3054 11.3307 11.7180 11.7202 13.4553 13.6005 15.8052 15.8480 15.9267 15.9601 16.0713 16.1201 k = 0.5903-0.1323 0.4082 ( 2328 PWs) bands (ev): -29.5909 -29.5909 -11.2103 -11.2102 -11.2025 -11.2020 -10.6772 -10.6729 -9.2791 -9.2729 -9.2509 -9.2501 -8.2353 -8.2349 -8.2301 -8.2292 -8.2153 -8.2147 1.9850 1.9874 8.0989 8.3431 9.1984 9.5548 10.2515 10.2571 10.9402 10.9896 11.0485 11.1175 11.2232 11.2908 11.3149 11.3372 11.7172 11.7216 13.4070 13.5483 15.7854 15.8285 15.8806 15.9586 16.0209 16.0995 k = 0.5833-0.1443 0.4082 ( 2332 PWs) bands (ev): -29.5909 -29.5909 -11.2096 -11.2095 -11.2021 -11.2016 -10.6768 -10.6729 -9.2791 -9.2732 -9.2499 -9.2491 -8.2361 -8.2355 -8.2319 -8.2312 -8.2158 -8.2152 1.9768 1.9789 8.1071 8.3225 9.2858 9.6065 10.2799 10.2892 10.9289 10.9817 11.0299 11.0901 11.2243 11.2901 11.3247 11.3437 11.7184 11.7249 13.3622 13.4989 15.7500 15.7833 15.8231 15.8870 16.0314 16.0921 k = 0.5764-0.1564 0.4082 ( 2340 PWs) bands (ev): -29.5909 -29.5909 -11.2089 -11.2088 -11.2017 -11.2013 -10.6765 -10.6728 -9.2790 -9.2735 -9.2488 -9.2481 -8.2368 -8.2361 -8.2336 -8.2331 -8.2161 -8.2156 1.9687 1.9707 8.1139 8.3030 9.3729 9.6601 10.3070 10.3200 10.9125 10.9696 11.0162 11.0648 11.2267 11.2895 11.3347 11.3500 11.7220 11.7303 13.3207 13.4522 15.7038 15.7208 15.7577 15.7964 16.0542 16.0966 k = 0.5694-0.1684 0.4082 ( 2340 PWs) bands (ev): -29.5909 -29.5909 -11.2082 -11.2081 -11.2013 -11.2010 -10.6762 -10.6728 -9.2789 -9.2738 -9.2478 -9.2472 -8.2377 -8.2367 -8.2351 -8.2349 -8.2164 -8.2160 1.9610 1.9628 8.1196 8.2848 9.4591 9.7145 10.3326 10.3491 10.8915 10.9510 11.0074 11.0448 11.2299 11.2888 11.3446 11.3561 11.7279 11.7378 13.2824 13.4079 15.6452 15.6503 15.6935 15.7046 16.0773 16.1080 k = 0.5625-0.1804 0.4082 ( 2334 PWs) bands (ev): -29.5909 -29.5909 -11.2076 -11.2075 -11.2010 -11.2007 -10.6758 -10.6727 -9.2787 -9.2741 -9.2469 -9.2463 -8.2388 -8.2375 -8.2364 -8.2362 -8.2167 -8.2163 1.9537 1.9553 8.1244 8.2679 9.5437 9.7691 10.3562 10.3759 10.8672 10.9252 11.0023 11.0314 11.2335 11.2880 11.3541 11.3617 11.7364 11.7474 13.2474 13.3660 15.5618 15.5834 15.6260 15.6350 16.0993 16.1224 k = 0.5556-0.1925 0.4082 ( 2348 PWs) bands (ev): -29.5909 -29.5909 -11.2070 -11.2069 -11.2007 -11.2004 -10.6755 -10.6727 -9.2786 -9.2744 -9.2460 -9.2455 -8.2400 -8.2388 -8.2373 -8.2371 -8.2169 -8.2165 1.9469 1.9484 8.1287 8.2521 9.6260 9.8226 10.3773 10.3998 10.8413 10.8943 10.9996 11.0230 11.2371 11.2869 11.3627 11.3668 11.7474 11.7589 13.2156 13.3263 15.4770 15.4996 15.5698 15.5818 16.1196 16.1374 k = 0.5486-0.2045 0.4082 ( 2336 PWs) bands (ev): -29.5909 -29.5909 -11.2065 -11.2064 -11.2004 -11.2002 -10.6752 -10.6727 -9.2785 -9.2748 -9.2452 -9.2448 -8.2413 -8.2403 -8.2378 -8.2377 -8.2171 -8.2168 1.9408 1.9420 8.1327 8.2375 9.7052 9.8745 10.3956 10.4204 10.8152 10.8611 10.9985 11.0177 11.2411 11.2857 11.3704 11.3715 11.7605 11.7719 13.1874 13.2890 15.3954 15.4150 15.5235 15.5341 16.1380 16.1519 k = 0.5417-0.2165 0.4082 ( 2344 PWs) bands (ev): -29.5909 -29.5909 -11.2060 -11.2059 -11.2002 -11.2000 -10.6749 -10.6727 -9.2783 -9.2751 -9.2444 -9.2441 -8.2424 -8.2416 -8.2382 -8.2382 -8.2172 -8.2170 1.9353 1.9363 8.1366 8.2241 9.7804 9.9234 10.4107 10.4370 10.7899 10.8275 10.9984 11.0140 11.2450 11.2841 11.3755 11.3767 11.7752 11.7857 13.1628 13.2539 15.3200 15.3364 15.4833 15.4920 16.1543 16.1651 k = 0.5347-0.2285 0.4082 ( 2336 PWs) bands (ev): -29.5909 -29.5909 -11.2056 -11.2056 -11.2000 -11.1998 -10.6746 -10.6728 -9.2781 -9.2754 -9.2438 -9.2435 -8.2434 -8.2428 -8.2386 -8.2386 -8.2174 -8.2171 1.9305 1.9314 8.1405 8.2119 9.8507 9.9684 10.4224 10.4490 10.7667 10.7955 10.9988 11.0115 11.2490 11.2824 11.3790 11.3817 11.7907 11.7999 13.1424 13.2216 15.2529 15.2665 15.4488 15.4557 16.1685 16.1767 k = 0.5278-0.2406 0.4082 ( 2340 PWs) bands (ev): -29.5909 -29.5909 -11.2053 -11.2052 -11.1998 -11.1996 -10.6743 -10.6728 -9.2779 -9.2757 -9.2432 -9.2430 -8.2443 -8.2437 -8.2389 -8.2389 -8.2175 -8.2173 1.9266 1.9273 8.1446 8.2008 9.9147 10.0079 10.4305 10.4559 10.7463 10.7667 10.9995 11.0094 11.2530 11.2802 11.3820 11.3853 11.8059 11.8133 13.1264 13.1922 15.1959 15.2068 15.4203 15.4256 16.1804 16.1864 k = 0.5208-0.2526 0.4082 ( 2338 PWs) bands (ev): -29.5909 -29.5909 -11.2050 -11.2050 -11.1996 -11.1995 -10.6740 -10.6729 -9.2776 -9.2760 -9.2428 -9.2426 -8.2449 -8.2445 -8.2391 -8.2391 -8.2175 -8.2174 1.9235 1.9240 8.1491 8.1907 9.9708 10.0402 10.4356 10.4577 10.7297 10.7428 11.0005 11.0078 11.2569 11.2776 11.3845 11.3877 11.8195 11.8250 13.1154 13.1663 15.1505 15.1587 15.3979 15.4017 16.1899 16.1939 k = 0.5139-0.2646 0.4082 ( 2346 PWs) bands (ev): -29.5909 -29.5909 -11.2048 -11.2048 -11.1995 -11.1995 -10.6738 -10.6731 -9.2774 -9.2763 -9.2425 -9.2424 -8.2454 -8.2451 -8.2393 -8.2393 -8.2176 -8.2175 1.9213 1.9216 8.1542 8.1816 10.0168 10.0629 10.4386 10.4551 10.7176 10.7250 11.0015 11.0063 11.2607 11.2747 11.3865 11.3890 11.8305 11.8341 13.1098 13.1445 15.1177 15.1232 15.3819 15.3844 16.1968 16.1993 k = 0.5069-0.2766 0.4082 ( 2346 PWs) bands (ev): -29.5909 -29.5909 -11.2047 -11.2047 -11.1995 -11.1994 -10.6736 -10.6732 -9.2772 -9.2766 -9.2423 -9.2422 -8.2456 -8.2455 -8.2394 -8.2394 -8.2176 -8.2175 1.9200 1.9202 8.1599 8.1735 10.0505 10.0735 10.4412 10.4500 10.7107 10.7139 11.0026 11.0050 11.2645 11.2716 11.3880 11.3894 11.8378 11.8395 13.1099 13.1276 15.0983 15.1011 15.3725 15.3738 16.2012 16.2024 k = 0.5000-0.2887 0.4082 ( 2346 PWs) bands (ev): -29.5909 -29.5909 -11.2047 -11.2047 -11.1994 -11.1994 -10.6734 -10.6734 -9.2769 -9.2769 -9.2422 -9.2422 -8.2457 -8.2457 -8.2394 -8.2394 -8.2176 -8.2176 1.9196 1.9196 8.1663 8.1663 10.0697 10.0697 10.4449 10.4449 10.7093 10.7093 11.0038 11.0038 11.2682 11.2682 11.3890 11.3890 11.8409 11.8409 13.1159 13.1159 15.0927 15.0927 15.3698 15.3698 16.2030 16.2030 Writing output data file YNiBi.save init_run : 1.16s CPU 0.66s WALL ( 1 calls) electrons : 229.52s CPU 140.17s WALL ( 1 calls) Called by init_run: wfcinit : 0.01s CPU 0.01s WALL ( 1 calls) potinit : 0.08s CPU 0.06s WALL ( 1 calls) Called by electrons: c_bands : 229.50s CPU 140.16s 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 : 0.29s CPU 0.16s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.22s CPU 0.28s WALL ( 331 calls) cegterg : 199.82s CPU 123.01s WALL ( 334 calls) Called by sum_band: Called by *egterg: h_psi : 142.27s CPU 81.23s WALL ( 6124 calls) s_psi : 6.22s CPU 3.52s WALL ( 6124 calls) g_psi : 0.21s CPU 0.10s WALL ( 5459 calls) cdiaghg : 62.11s CPU 43.04s WALL ( 5790 calls) cegterg:over : 6.12s CPU 3.67s WALL ( 5459 calls) cegterg:upda : 4.12s CPU 2.57s WALL ( 5459 calls) cegterg:last : 2.18s CPU 1.40s WALL ( 996 calls) cdiaghg:chol : 3.26s CPU 2.29s WALL ( 5790 calls) cdiaghg:inve : 1.78s CPU 1.30s WALL ( 5790 calls) cdiaghg:para : 3.41s CPU 2.37s WALL ( 11580 calls) Called by h_psi: h_psi:vloc : 128.97s CPU 73.46s WALL ( 6124 calls) h_psi:vnl : 13.12s CPU 7.67s WALL ( 6124 calls) add_vuspsi : 8.24s CPU 4.81s WALL ( 6124 calls) General routines calbec : 4.86s CPU 2.84s WALL ( 6124 calls) fft : 0.12s CPU 0.06s WALL ( 19 calls) ffts : 0.02s CPU 0.01s WALL ( 4 calls) fftw : 121.06s CPU 68.74s WALL ( 606532 calls) interpolate : 0.02s CPU 0.01s WALL ( 4 calls) davcio : 0.27s CPU 0.50s WALL ( 662 calls) Parallel routines fft_scatter : 48.13s CPU 28.27s WALL ( 606555 calls) PWSCF : 4m 2.40s CPU 2m42.06s WALL This run was terminated on: 2:38:14 12Feb2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=