Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 21: 2:40 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./PdO.save/ file Pd.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4S 5S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 59 25 7 1816 510 81 Max 61 26 8 1818 524 86 Sum 2149 925 271 65427 18643 2975 bravais-lattice index = 14 lattice parameter (alat) = 7.5497 a.u. unit-cell volume = 304.2859 (a.u.)^3 number of atoms/cell = 2 number of atomic types = 2 number of electrons = 24.00 number of Kohn-Sham states= 32 kinetic-energy cutoff = 59.0000 Ry charge density cutoff = 545.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.549745 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 O read from file: /users/gautes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1095 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Pd read from file: /users/gautes/Pseudo/Pd.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 7926b04c0aa9b348bf6cb39d90ce6236 Pseudo is Ultrasoft + core correction, Zval = 18.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1235 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 O 6.00 15.99940 O( 1.00) Pd 18.00 106.42000 Pd( 1.00) 12 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [1,0,0] cryst. s( 2) = ( 1 0 0 ) ( 1 -1 0 ) ( 1 0 -1 ) cart. s( 2) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 3 120 deg rotation - cryst. axis [0,0,1] cryst. s( 3) = ( -1 1 0 ) ( -1 0 0 ) ( -1 0 1 ) cart. s( 3) = ( -0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 4 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 4) = ( 0 -1 0 ) ( 1 -1 0 ) ( 0 -1 1 ) cart. s( 4) = ( -0.5000000 0.8660254 -0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 5 180 deg rotation - cryst. axis [0,1,0] cryst. s( 5) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s( 5) = ( -0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 6 180 deg rotation - cryst. axis [1,1,0] cryst. s( 6) = ( -1 1 0 ) ( 0 1 0 ) ( 0 1 -1 ) cart. s( 6) = ( -0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 7 inversion cryst. s( 7) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 7) = ( -1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 8 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 8) = ( -1 0 0 ) ( -1 1 0 ) ( -1 0 1 ) cart. s( 8) = ( -1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 9 inv. 120 deg rotation - cryst. axis [0,0,1] cryst. s( 9) = ( 1 -1 0 ) ( 1 0 0 ) ( 1 0 -1 ) cart. s( 9) = ( 0.5000000 0.8660254 -0.0000000 ) ( -0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 10 inv. 120 deg rotation - cryst. axis [0,0,-1] cryst. s(10) = ( 0 1 0 ) ( -1 1 0 ) ( 0 1 -1 ) cart. s(10) = ( 0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 11 inv. 180 deg rotation - cryst. axis [0,1,0] cryst. s(11) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s(11) = ( 0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 12 inv. 180 deg rotation - cryst. axis [1,1,0] cryst. s(12) = ( 1 -1 0 ) ( 0 -1 0 ) ( 0 -1 1 ) cart. s(12) = ( 0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group D_3d (-3m) there are 12 classes and 6 irreducible representations the character table: E -E 2C3 -2C3 3C2' -3C2' i -i 2S6 -2S6 3s_v -3s_v G_4+ 2.00 -2.00 1.00 -1.00 0.00 0.00 2.00 -2.00 1.00 -1.00 0.00 0.00 G_5+ 1.00 -1.00 -1.00 1.00 0.00 0.00 1.00 -1.00 -1.00 1.00 0.00 0.00 G_6+ 1.00 -1.00 -1.00 1.00 0.00 0.00 1.00 -1.00 -1.00 1.00 0.00 0.00 G_4- 2.00 -2.00 1.00 -1.00 0.00 0.00 -2.00 2.00 -1.00 1.00 0.00 0.00 G_5- 1.00 -1.00 -1.00 1.00 0.00 0.00 -1.00 1.00 1.00 -1.00 0.00 0.00 G_6- 1.00 -1.00 -1.00 1.00 0.00 0.00 -1.00 1.00 1.00 -1.00 0.00 0.00 imaginary part E -E 2C3 -2C3 3C2' -3C2' i -i 2S6 -2S6 3s_v -3s_v G_4+ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 G_5+ 0.00 0.00 0.00 0.00 1.00 -1.00 0.00 0.00 0.00 0.00 1.00 -1.00 G_6+ 0.00 0.00 0.00 0.00 -1.00 1.00 0.00 0.00 0.00 0.00 -1.00 1.00 G_4- 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 G_5- 0.00 0.00 0.00 0.00 1.00 -1.00 0.00 0.00 0.00 0.00 -1.00 1.00 G_6- 0.00 0.00 0.00 0.00 -1.00 1.00 0.00 0.00 0.00 0.00 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E 2C3 3 4 120 deg rotation - cryst. axis [0,0,1] -2C3 -3 -4 120 deg rotation - cryst. axis [0,0,1] E 3C2' 2 5 -6 180 deg rotation - cart. axis [1,0,0] 3C2' 6 -5 -2 180 deg rotation - cryst. axis [1,1,0] i 7 inversion -i -7 inversion E 2S6 9 10 inv. 120 deg rotation - cryst. axis [0,0,1] -2S6 -9 -10 inv. 120 deg rotation - cryst. axis [0,0,1] E 3s_v 8 11 -12 inv. 180 deg rotation - cart. axis [1,0,0] 3s_v 12 -11 -8 inv. 180 deg rotation - cryst. axis [1,1,0] Cartesian axes number of k points= 372 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026882 k( 2) = ( 0.0089286 -0.0051549 0.0072901), wk = 0.0026882 k( 3) = ( 0.0178571 -0.0103098 0.0145803), wk = 0.0026882 k( 4) = ( 0.0267857 -0.0154647 0.0218704), wk = 0.0026882 k( 5) = ( 0.0357143 -0.0206197 0.0291606), wk = 0.0026882 k( 6) = ( 0.0446429 -0.0257746 0.0364507), wk = 0.0026882 k( 7) = ( 0.0535714 -0.0309295 0.0437409), wk = 0.0026882 k( 8) = ( 0.0625000 -0.0360844 0.0510310), wk = 0.0026882 k( 9) = ( 0.0714286 -0.0412393 0.0583212), wk = 0.0026882 k( 10) = ( 0.0803571 -0.0463942 0.0656113), wk = 0.0026882 k( 11) = ( 0.0892857 -0.0515491 0.0729015), wk = 0.0026882 k( 12) = ( 0.0982143 -0.0567040 0.0801916), wk = 0.0026882 k( 13) = ( 0.1071429 -0.0618590 0.0874818), wk = 0.0026882 k( 14) = ( 0.1160714 -0.0670139 0.0947719), wk = 0.0026882 k( 15) = ( 0.1250000 -0.0721688 0.1020621), wk = 0.0026882 k( 16) = ( 0.1339286 -0.0773237 0.1093522), wk = 0.0026882 k( 17) = ( 0.1428571 -0.0824786 0.1166424), wk = 0.0026882 k( 18) = ( 0.1517857 -0.0876335 0.1239325), wk = 0.0026882 k( 19) = ( 0.1607143 -0.0927884 0.1312227), wk = 0.0026882 k( 20) = ( 0.1696429 -0.0979434 0.1385128), wk = 0.0026882 k( 21) = ( 0.1785714 -0.1030983 0.1458030), wk = 0.0026882 k( 22) = ( 0.1875000 -0.1082532 0.1530931), wk = 0.0026882 k( 23) = ( 0.1964286 -0.1134081 0.1603833), wk = 0.0026882 k( 24) = ( 0.2053571 -0.1185630 0.1676734), wk = 0.0026882 k( 25) = ( 0.2142857 -0.1237179 0.1749635), wk = 0.0026882 k( 26) = ( 0.2232143 -0.1288728 0.1822537), wk = 0.0026882 k( 27) = ( 0.2321429 -0.1340277 0.1895439), wk = 0.0026882 k( 28) = ( 0.2410714 -0.1391827 0.1968340), wk = 0.0026882 k( 29) = ( 0.2500000 -0.1443376 0.2041241), wk = 0.0026882 k( 30) = ( 0.2589286 -0.1494925 0.2114143), wk = 0.0026882 k( 31) = ( 0.2678571 -0.1546474 0.2187044), wk = 0.0026882 k( 32) = ( 0.2767857 -0.1598023 0.2259946), wk = 0.0026882 k( 33) = ( 0.2857143 -0.1649572 0.2332847), wk = 0.0026882 k( 34) = ( 0.2946429 -0.1701121 0.2405749), wk = 0.0026882 k( 35) = ( 0.3035714 -0.1752670 0.2478650), wk = 0.0026882 k( 36) = ( 0.3125000 -0.1804220 0.2551552), wk = 0.0026882 k( 37) = ( 0.3214286 -0.1855769 0.2624453), wk = 0.0026882 k( 38) = ( 0.3303571 -0.1907318 0.2697355), wk = 0.0026882 k( 39) = ( 0.3392857 -0.1958867 0.2770256), wk = 0.0026882 k( 40) = ( 0.3482143 -0.2010416 0.2843158), wk = 0.0026882 k( 41) = ( 0.3571429 -0.2061965 0.2916059), wk = 0.0026882 k( 42) = ( 0.3660714 -0.2113514 0.2988961), wk = 0.0026882 k( 43) = ( 0.3750000 -0.2165064 0.3061862), wk = 0.0026882 k( 44) = ( 0.3839286 -0.2216613 0.3134764), wk = 0.0026882 k( 45) = ( 0.3928571 -0.2268162 0.3207665), wk = 0.0026882 k( 46) = ( 0.4017857 -0.2319711 0.3280567), wk = 0.0026882 k( 47) = ( 0.4107143 -0.2371260 0.3353468), wk = 0.0026882 k( 48) = ( 0.4196429 -0.2422809 0.3426370), wk = 0.0026882 k( 49) = ( 0.4285714 -0.2474358 0.3499271), wk = 0.0026882 k( 50) = ( 0.4375000 -0.2525907 0.3572173), wk = 0.0026882 k( 51) = ( 0.4464286 -0.2577457 0.3645074), wk = 0.0026882 k( 52) = ( 0.4553571 -0.2629006 0.3717975), wk = 0.0026882 k( 53) = ( 0.4642857 -0.2680555 0.3790877), wk = 0.0026882 k( 54) = ( 0.4732143 -0.2732104 0.3863778), wk = 0.0026882 k( 55) = ( 0.4821429 -0.2783653 0.3936680), wk = 0.0026882 k( 56) = ( 0.4910714 -0.2835202 0.4009581), wk = 0.0026882 k( 57) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0026882 k( 58) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0026882 k( 59) = ( 0.5000000 -0.2783653 0.4155384), wk = 0.0026882 k( 60) = ( 0.5000000 -0.2680555 0.4228286), wk = 0.0026882 k( 61) = ( 0.5000000 -0.2577457 0.4301187), wk = 0.0026882 k( 62) = ( 0.5000000 -0.2474358 0.4374089), wk = 0.0026882 k( 63) = ( 0.5000000 -0.2371260 0.4446990), wk = 0.0026882 k( 64) = ( 0.5000000 -0.2268162 0.4519892), wk = 0.0026882 k( 65) = ( 0.5000000 -0.2165064 0.4592793), wk = 0.0026882 k( 66) = ( 0.5000000 -0.2061965 0.4665695), wk = 0.0026882 k( 67) = ( 0.5000000 -0.1958867 0.4738596), wk = 0.0026882 k( 68) = ( 0.5000000 -0.1855769 0.4811498), wk = 0.0026882 k( 69) = ( 0.5000000 -0.1752670 0.4884399), wk = 0.0026882 k( 70) = ( 0.5000000 -0.1649572 0.4957301), wk = 0.0026882 k( 71) = ( 0.5000000 -0.1546474 0.5030202), wk = 0.0026882 k( 72) = ( 0.5000000 -0.1443376 0.5103104), wk = 0.0026882 k( 73) = ( 0.5000000 -0.1340277 0.5176005), wk = 0.0026882 k( 74) = ( 0.5000000 -0.1237179 0.5248907), wk = 0.0026882 k( 75) = ( 0.5000000 -0.1134081 0.5321808), wk = 0.0026882 k( 76) = ( 0.5000000 -0.1030983 0.5394710), wk = 0.0026882 k( 77) = ( 0.5000000 -0.0927884 0.5467611), wk = 0.0026882 k( 78) = ( 0.5000000 -0.0824786 0.5540513), wk = 0.0026882 k( 79) = ( 0.5000000 -0.0721688 0.5613414), wk = 0.0026882 k( 80) = ( 0.5000000 -0.0618590 0.5686315), wk = 0.0026882 k( 81) = ( 0.5000000 -0.0515491 0.5759217), wk = 0.0026882 k( 82) = ( 0.5000000 -0.0412393 0.5832118), wk = 0.0026882 k( 83) = ( 0.5000000 -0.0309295 0.5905020), wk = 0.0026882 k( 84) = ( 0.5000000 -0.0206196 0.5977921), wk = 0.0026882 k( 85) = ( 0.5000000 -0.0103098 0.6050823), wk = 0.0026882 k( 86) = ( 0.5000000 0.0000000 0.6123724), wk = 0.0026882 k( 87) = ( 0.5000000 0.0000000 0.6123724), wk = 0.0026882 k( 88) = ( 0.4937500 0.0108253 0.6123724), wk = 0.0026882 k( 89) = ( 0.4875000 0.0216506 0.6123724), wk = 0.0026882 k( 90) = ( 0.4812500 0.0324760 0.6123724), wk = 0.0026882 k( 91) = ( 0.4750000 0.0433013 0.6123724), wk = 0.0026882 k( 92) = ( 0.4687500 0.0541266 0.6123724), wk = 0.0026882 k( 93) = ( 0.4625000 0.0649519 0.6123724), wk = 0.0026882 k( 94) = ( 0.4562500 0.0757772 0.6123724), wk = 0.0026882 k( 95) = ( 0.4500000 0.0866025 0.6123724), wk = 0.0026882 k( 96) = ( 0.4437500 0.0974279 0.6123724), wk = 0.0026882 k( 97) = ( 0.4375000 0.1082532 0.6123724), wk = 0.0026882 k( 98) = ( 0.4312500 0.1190785 0.6123724), wk = 0.0026882 k( 99) = ( 0.4250000 0.1299038 0.6123724), wk = 0.0026882 k( 100) = ( 0.4187500 0.1407291 0.6123724), wk = 0.0026882 k( 101) = ( 0.4125000 0.1515544 0.6123724), wk = 0.0026882 k( 102) = ( 0.4062500 0.1623798 0.6123724), wk = 0.0026882 k( 103) = ( 0.4000000 0.1732051 0.6123724), wk = 0.0026882 k( 104) = ( 0.3937500 0.1840304 0.6123724), wk = 0.0026882 k( 105) = ( 0.3875000 0.1948557 0.6123724), wk = 0.0026882 k( 106) = ( 0.3812500 0.2056810 0.6123724), wk = 0.0026882 k( 107) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0026882 k( 108) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0026882 k( 109) = ( 0.3686441 0.2128368 0.6019932), wk = 0.0026882 k( 110) = ( 0.3622881 0.2091672 0.5916140), wk = 0.0026882 k( 111) = ( 0.3559322 0.2054976 0.5812349), wk = 0.0026882 k( 112) = ( 0.3495763 0.2018280 0.5708557), wk = 0.0026882 k( 113) = ( 0.3432203 0.1981584 0.5604765), wk = 0.0026882 k( 114) = ( 0.3368644 0.1944888 0.5500973), wk = 0.0026882 k( 115) = ( 0.3305085 0.1908192 0.5397181), wk = 0.0026882 k( 116) = ( 0.3241525 0.1871496 0.5293389), wk = 0.0026882 k( 117) = ( 0.3177966 0.1834800 0.5189597), wk = 0.0026882 k( 118) = ( 0.3114407 0.1798104 0.5085805), wk = 0.0026882 k( 119) = ( 0.3050848 0.1761408 0.4982013), wk = 0.0026882 k( 120) = ( 0.2987288 0.1724712 0.4878221), wk = 0.0026882 k( 121) = ( 0.2923729 0.1688016 0.4774429), wk = 0.0026882 k( 122) = ( 0.2860169 0.1651320 0.4670637), wk = 0.0026882 k( 123) = ( 0.2796610 0.1614624 0.4566845), wk = 0.0026882 k( 124) = ( 0.2733051 0.1577928 0.4463053), wk = 0.0026882 k( 125) = ( 0.2669492 0.1541232 0.4359261), wk = 0.0026882 k( 126) = ( 0.2605932 0.1504536 0.4255469), wk = 0.0026882 k( 127) = ( 0.2542373 0.1467840 0.4151678), wk = 0.0026882 k( 128) = ( 0.2478814 0.1431144 0.4047886), wk = 0.0026882 k( 129) = ( 0.2415254 0.1394448 0.3944094), wk = 0.0026882 k( 130) = ( 0.2351695 0.1357752 0.3840302), wk = 0.0026882 k( 131) = ( 0.2288136 0.1321056 0.3736510), wk = 0.0026882 k( 132) = ( 0.2224576 0.1284360 0.3632718), wk = 0.0026882 k( 133) = ( 0.2161017 0.1247664 0.3528926), wk = 0.0026882 k( 134) = ( 0.2097458 0.1210968 0.3425134), wk = 0.0026882 k( 135) = ( 0.2033898 0.1174272 0.3321342), wk = 0.0026882 k( 136) = ( 0.1970339 0.1137576 0.3217550), wk = 0.0026882 k( 137) = ( 0.1906780 0.1100880 0.3113758), wk = 0.0026882 k( 138) = ( 0.1843220 0.1064184 0.3009966), wk = 0.0026882 k( 139) = ( 0.1779661 0.1027488 0.2906174), wk = 0.0026882 k( 140) = ( 0.1716102 0.0990792 0.2802382), wk = 0.0026882 k( 141) = ( 0.1652542 0.0954096 0.2698590), wk = 0.0026882 k( 142) = ( 0.1588983 0.0917400 0.2594798), wk = 0.0026882 k( 143) = ( 0.1525424 0.0880704 0.2491007), wk = 0.0026882 k( 144) = ( 0.1461864 0.0844008 0.2387215), wk = 0.0026882 k( 145) = ( 0.1398305 0.0807312 0.2283423), wk = 0.0026882 k( 146) = ( 0.1334746 0.0770616 0.2179631), wk = 0.0026882 k( 147) = ( 0.1271186 0.0733920 0.2075839), wk = 0.0026882 k( 148) = ( 0.1207627 0.0697224 0.1972047), wk = 0.0026882 k( 149) = ( 0.1144068 0.0660528 0.1868255), wk = 0.0026882 k( 150) = ( 0.1080509 0.0623832 0.1764463), wk = 0.0026882 k( 151) = ( 0.1016949 0.0587136 0.1660671), wk = 0.0026882 k( 152) = ( 0.0953390 0.0550440 0.1556879), wk = 0.0026882 k( 153) = ( 0.0889830 0.0513744 0.1453087), wk = 0.0026882 k( 154) = ( 0.0826271 0.0477048 0.1349295), wk = 0.0026882 k( 155) = ( 0.0762712 0.0440352 0.1245503), wk = 0.0026882 k( 156) = ( 0.0699152 0.0403656 0.1141711), wk = 0.0026882 k( 157) = ( 0.0635593 0.0366960 0.1037919), wk = 0.0026882 k( 158) = ( 0.0572034 0.0330264 0.0934127), wk = 0.0026882 k( 159) = ( 0.0508475 0.0293568 0.0830336), wk = 0.0026882 k( 160) = ( 0.0444915 0.0256872 0.0726544), wk = 0.0026882 k( 161) = ( 0.0381356 0.0220176 0.0622752), wk = 0.0026882 k( 162) = ( 0.0317797 0.0183480 0.0518960), wk = 0.0026882 k( 163) = ( 0.0254237 0.0146784 0.0415168), wk = 0.0026882 k( 164) = ( 0.0190678 0.0110088 0.0311376), wk = 0.0026882 k( 165) = ( 0.0127119 0.0073392 0.0207584), wk = 0.0026882 k( 166) = ( 0.0063559 0.0036696 0.0103792), wk = 0.0026882 k( 167) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026882 k( 168) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026882 k( 169) = ( 0.0102041 0.0058913 0.0041658), wk = 0.0026882 k( 170) = ( 0.0204082 0.0117827 0.0083316), wk = 0.0026882 k( 171) = ( 0.0306122 0.0176740 0.0124974), wk = 0.0026882 k( 172) = ( 0.0408163 0.0235653 0.0166632), wk = 0.0026882 k( 173) = ( 0.0510204 0.0294566 0.0208290), wk = 0.0026882 k( 174) = ( 0.0612245 0.0353480 0.0249948), wk = 0.0026882 k( 175) = ( 0.0714286 0.0412393 0.0291606), wk = 0.0026882 k( 176) = ( 0.0816327 0.0471306 0.0333264), wk = 0.0026882 k( 177) = ( 0.0918367 0.0530220 0.0374922), wk = 0.0026882 k( 178) = ( 0.1020408 0.0589133 0.0416580), wk = 0.0026882 k( 179) = ( 0.1122449 0.0648046 0.0458238), wk = 0.0026882 k( 180) = ( 0.1224490 0.0706960 0.0499896), wk = 0.0026882 k( 181) = ( 0.1326531 0.0765873 0.0541554), wk = 0.0026882 k( 182) = ( 0.1428571 0.0824786 0.0583212), wk = 0.0026882 k( 183) = ( 0.1530612 0.0883699 0.0624870), wk = 0.0026882 k( 184) = ( 0.1632653 0.0942613 0.0666528), wk = 0.0026882 k( 185) = ( 0.1734694 0.1001526 0.0708186), wk = 0.0026882 k( 186) = ( 0.1836735 0.1060439 0.0749844), wk = 0.0026882 k( 187) = ( 0.1938776 0.1119353 0.0791502), wk = 0.0026882 k( 188) = ( 0.2040816 0.1178266 0.0833160), wk = 0.0026882 k( 189) = ( 0.2142857 0.1237179 0.0874818), wk = 0.0026882 k( 190) = ( 0.2244898 0.1296092 0.0916476), wk = 0.0026882 k( 191) = ( 0.2346939 0.1355006 0.0958134), wk = 0.0026882 k( 192) = ( 0.2448980 0.1413919 0.0999792), wk = 0.0026882 k( 193) = ( 0.2551020 0.1472832 0.1041450), wk = 0.0026882 k( 194) = ( 0.2653061 0.1531746 0.1083108), wk = 0.0026882 k( 195) = ( 0.2755102 0.1590659 0.1124766), wk = 0.0026882 k( 196) = ( 0.2857143 0.1649572 0.1166424), wk = 0.0026882 k( 197) = ( 0.2959184 0.1708486 0.1208082), wk = 0.0026882 k( 198) = ( 0.3061224 0.1767399 0.1249740), wk = 0.0026882 k( 199) = ( 0.3163265 0.1826312 0.1291398), wk = 0.0026882 k( 200) = ( 0.3265306 0.1885225 0.1333056), wk = 0.0026882 k( 201) = ( 0.3367347 0.1944139 0.1374714), wk = 0.0026882 k( 202) = ( 0.3469388 0.2003052 0.1416372), wk = 0.0026882 k( 203) = ( 0.3571429 0.2061965 0.1458030), wk = 0.0026882 k( 204) = ( 0.3673469 0.2120879 0.1499688), wk = 0.0026882 k( 205) = ( 0.3775510 0.2179792 0.1541346), wk = 0.0026882 k( 206) = ( 0.3877551 0.2238705 0.1583004), wk = 0.0026882 k( 207) = ( 0.3979592 0.2297618 0.1624662), wk = 0.0026882 k( 208) = ( 0.4081633 0.2356532 0.1666320), wk = 0.0026882 k( 209) = ( 0.4183674 0.2415445 0.1707978), wk = 0.0026882 k( 210) = ( 0.4285714 0.2474358 0.1749636), wk = 0.0026882 k( 211) = ( 0.4387755 0.2533272 0.1791294), wk = 0.0026882 k( 212) = ( 0.4489796 0.2592185 0.1832952), wk = 0.0026882 k( 213) = ( 0.4591837 0.2651098 0.1874609), wk = 0.0026882 k( 214) = ( 0.4693878 0.2710011 0.1916268), wk = 0.0026882 k( 215) = ( 0.4795918 0.2768925 0.1957925), wk = 0.0026882 k( 216) = ( 0.4897959 0.2827838 0.1999583), wk = 0.0026882 k( 217) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0026882 k( 218) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0026882 k( 219) = ( 0.5035714 0.2783653 0.2099563), wk = 0.0026882 k( 220) = ( 0.5071429 0.2680555 0.2157884), wk = 0.0026882 k( 221) = ( 0.5107143 0.2577457 0.2216205), wk = 0.0026882 k( 222) = ( 0.5142857 0.2474358 0.2274526), wk = 0.0026882 k( 223) = ( 0.5178571 0.2371260 0.2332847), wk = 0.0026882 k( 224) = ( 0.5214286 0.2268162 0.2391169), wk = 0.0026882 k( 225) = ( 0.5250000 0.2165064 0.2449490), wk = 0.0026882 k( 226) = ( 0.5285714 0.2061965 0.2507811), wk = 0.0026882 k( 227) = ( 0.5321429 0.1958867 0.2566132), wk = 0.0026882 k( 228) = ( 0.5357143 0.1855769 0.2624453), wk = 0.0026882 k( 229) = ( 0.5392857 0.1752670 0.2682774), wk = 0.0026882 k( 230) = ( 0.5428571 0.1649572 0.2741096), wk = 0.0026882 k( 231) = ( 0.5464286 0.1546474 0.2799417), wk = 0.0026882 k( 232) = ( 0.5500000 0.1443376 0.2857738), wk = 0.0026882 k( 233) = ( 0.5535714 0.1340277 0.2916059), wk = 0.0026882 k( 234) = ( 0.5571429 0.1237179 0.2974380), wk = 0.0026882 k( 235) = ( 0.5607143 0.1134081 0.3032702), wk = 0.0026882 k( 236) = ( 0.5642857 0.1030983 0.3091023), wk = 0.0026882 k( 237) = ( 0.5678571 0.0927884 0.3149344), wk = 0.0026882 k( 238) = ( 0.5714286 0.0824786 0.3207665), wk = 0.0026882 k( 239) = ( 0.5750000 0.0721688 0.3265986), wk = 0.0026882 k( 240) = ( 0.5785714 0.0618590 0.3324308), wk = 0.0026882 k( 241) = ( 0.5821429 0.0515491 0.3382629), wk = 0.0026882 k( 242) = ( 0.5857143 0.0412393 0.3440950), wk = 0.0026882 k( 243) = ( 0.5892857 0.0309295 0.3499271), wk = 0.0026882 k( 244) = ( 0.5928571 0.0206196 0.3557592), wk = 0.0026882 k( 245) = ( 0.5964286 0.0103098 0.3615913), wk = 0.0026882 k( 246) = ( 0.6000000 0.0000000 0.3674235), wk = 0.0026882 k( 247) = ( 0.6035714 -0.0103098 0.3732556), wk = 0.0026882 k( 248) = ( 0.6071429 -0.0206196 0.3790877), wk = 0.0026882 k( 249) = ( 0.6107143 -0.0309295 0.3849198), wk = 0.0026882 k( 250) = ( 0.6142857 -0.0412393 0.3907519), wk = 0.0026882 k( 251) = ( 0.6178571 -0.0515491 0.3965841), wk = 0.0026882 k( 252) = ( 0.6214286 -0.0618590 0.4024162), wk = 0.0026882 k( 253) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0026882 k( 254) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0026882 k( 255) = ( 0.6187500 -0.0685603 0.4184545), wk = 0.0026882 k( 256) = ( 0.6125000 -0.0649519 0.4286607), wk = 0.0026882 k( 257) = ( 0.6062500 -0.0613435 0.4388669), wk = 0.0026882 k( 258) = ( 0.6000000 -0.0577350 0.4490731), wk = 0.0026882 k( 259) = ( 0.5937500 -0.0541266 0.4592793), wk = 0.0026882 k( 260) = ( 0.5875000 -0.0505181 0.4694855), wk = 0.0026882 k( 261) = ( 0.5812500 -0.0469097 0.4796917), wk = 0.0026882 k( 262) = ( 0.5750000 -0.0433013 0.4898979), wk = 0.0026882 k( 263) = ( 0.5687500 -0.0396928 0.5001042), wk = 0.0026882 k( 264) = ( 0.5625000 -0.0360844 0.5103104), wk = 0.0026882 k( 265) = ( 0.5562500 -0.0324760 0.5205166), wk = 0.0026882 k( 266) = ( 0.5500000 -0.0288675 0.5307228), wk = 0.0026882 k( 267) = ( 0.5437500 -0.0252591 0.5409290), wk = 0.0026882 k( 268) = ( 0.5375000 -0.0216506 0.5511352), wk = 0.0026882 k( 269) = ( 0.5312500 -0.0180422 0.5613414), wk = 0.0026882 k( 270) = ( 0.5250000 -0.0144338 0.5715476), wk = 0.0026882 k( 271) = ( 0.5187500 -0.0108253 0.5817538), wk = 0.0026882 k( 272) = ( 0.5125000 -0.0072169 0.5919600), wk = 0.0026882 k( 273) = ( 0.5062500 -0.0036084 0.6021662), wk = 0.0026882 k( 274) = ( 0.5000000 0.0000000 0.6123724), wk = 0.0026882 k( 275) = ( 0.5000000 0.0000000 0.6123724), wk = 0.0026882 k( 276) = ( 0.5000000 0.0072169 0.6021662), wk = 0.0026882 k( 277) = ( 0.5000000 0.0144338 0.5919600), wk = 0.0026882 k( 278) = ( 0.5000000 0.0216506 0.5817538), wk = 0.0026882 k( 279) = ( 0.5000000 0.0288675 0.5715476), wk = 0.0026882 k( 280) = ( 0.5000000 0.0360844 0.5613414), wk = 0.0026882 k( 281) = ( 0.5000000 0.0433013 0.5511352), wk = 0.0026882 k( 282) = ( 0.5000000 0.0505181 0.5409290), wk = 0.0026882 k( 283) = ( 0.5000000 0.0577350 0.5307228), wk = 0.0026882 k( 284) = ( 0.5000000 0.0649519 0.5205166), wk = 0.0026882 k( 285) = ( 0.5000000 0.0721688 0.5103104), wk = 0.0026882 k( 286) = ( 0.5000000 0.0793857 0.5001042), wk = 0.0026882 k( 287) = ( 0.5000000 0.0866025 0.4898979), wk = 0.0026882 k( 288) = ( 0.5000000 0.0938194 0.4796917), wk = 0.0026882 k( 289) = ( 0.5000000 0.1010363 0.4694855), wk = 0.0026882 k( 290) = ( 0.5000000 0.1082532 0.4592793), wk = 0.0026882 k( 291) = ( 0.5000000 0.1154701 0.4490731), wk = 0.0026882 k( 292) = ( 0.5000000 0.1226869 0.4388669), wk = 0.0026882 k( 293) = ( 0.5000000 0.1299038 0.4286607), wk = 0.0026882 k( 294) = ( 0.5000000 0.1371207 0.4184545), wk = 0.0026882 k( 295) = ( 0.5000000 0.1443376 0.4082483), wk = 0.0026882 k( 296) = ( 0.5000000 0.1515544 0.3980421), wk = 0.0026882 k( 297) = ( 0.5000000 0.1587713 0.3878359), wk = 0.0026882 k( 298) = ( 0.5000000 0.1659882 0.3776297), wk = 0.0026882 k( 299) = ( 0.5000000 0.1732051 0.3674235), wk = 0.0026882 k( 300) = ( 0.5000000 0.1804220 0.3572173), wk = 0.0026882 k( 301) = ( 0.5000000 0.1876388 0.3470110), wk = 0.0026882 k( 302) = ( 0.5000000 0.1948557 0.3368048), wk = 0.0026882 k( 303) = ( 0.5000000 0.2020726 0.3265986), wk = 0.0026882 k( 304) = ( 0.5000000 0.2092895 0.3163924), wk = 0.0026882 k( 305) = ( 0.5000000 0.2165064 0.3061862), wk = 0.0026882 k( 306) = ( 0.5000000 0.2237232 0.2959800), wk = 0.0026882 k( 307) = ( 0.5000000 0.2309401 0.2857738), wk = 0.0026882 k( 308) = ( 0.5000000 0.2381570 0.2755676), wk = 0.0026882 k( 309) = ( 0.5000000 0.2453739 0.2653614), wk = 0.0026882 k( 310) = ( 0.5000000 0.2525907 0.2551552), wk = 0.0026882 k( 311) = ( 0.5000000 0.2598076 0.2449490), wk = 0.0026882 k( 312) = ( 0.5000000 0.2670245 0.2347428), wk = 0.0026882 k( 313) = ( 0.5000000 0.2742414 0.2245366), wk = 0.0026882 k( 314) = ( 0.5000000 0.2814583 0.2143304), wk = 0.0026882 k( 315) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0026882 k( 316) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0026882 k( 317) = ( 0.4964286 0.2866132 0.2157884), wk = 0.0026882 k( 318) = ( 0.4928571 0.2845512 0.2274526), wk = 0.0026882 k( 319) = ( 0.4892857 0.2824892 0.2391169), wk = 0.0026882 k( 320) = ( 0.4857143 0.2804273 0.2507811), wk = 0.0026882 k( 321) = ( 0.4821429 0.2783653 0.2624453), wk = 0.0026882 k( 322) = ( 0.4785714 0.2763033 0.2741096), wk = 0.0026882 k( 323) = ( 0.4750000 0.2742414 0.2857738), wk = 0.0026882 k( 324) = ( 0.4714286 0.2721794 0.2974380), wk = 0.0026882 k( 325) = ( 0.4678571 0.2701174 0.3091023), wk = 0.0026882 k( 326) = ( 0.4642857 0.2680555 0.3207665), wk = 0.0026882 k( 327) = ( 0.4607143 0.2659935 0.3324307), wk = 0.0026882 k( 328) = ( 0.4571429 0.2639316 0.3440950), wk = 0.0026882 k( 329) = ( 0.4535714 0.2618696 0.3557592), wk = 0.0026882 k( 330) = ( 0.4500000 0.2598076 0.3674235), wk = 0.0026882 k( 331) = ( 0.4464286 0.2577457 0.3790877), wk = 0.0026882 k( 332) = ( 0.4428571 0.2556837 0.3907519), wk = 0.0026882 k( 333) = ( 0.4392857 0.2536217 0.4024162), wk = 0.0026882 k( 334) = ( 0.4357143 0.2515598 0.4140804), wk = 0.0026882 k( 335) = ( 0.4321429 0.2494978 0.4257446), wk = 0.0026882 k( 336) = ( 0.4285714 0.2474358 0.4374089), wk = 0.0026882 k( 337) = ( 0.4250000 0.2453739 0.4490731), wk = 0.0026882 k( 338) = ( 0.4214286 0.2433119 0.4607374), wk = 0.0026882 k( 339) = ( 0.4178571 0.2412499 0.4724016), wk = 0.0026882 k( 340) = ( 0.4142857 0.2391880 0.4840658), wk = 0.0026882 k( 341) = ( 0.4107143 0.2371260 0.4957301), wk = 0.0026882 k( 342) = ( 0.4071429 0.2350640 0.5073943), wk = 0.0026882 k( 343) = ( 0.4035714 0.2330021 0.5190585), wk = 0.0026882 k( 344) = ( 0.4000000 0.2309401 0.5307228), wk = 0.0026882 k( 345) = ( 0.3964286 0.2288781 0.5423870), wk = 0.0026882 k( 346) = ( 0.3928571 0.2268162 0.5540512), wk = 0.0026882 k( 347) = ( 0.3892857 0.2247542 0.5657155), wk = 0.0026882 k( 348) = ( 0.3857143 0.2226922 0.5773797), wk = 0.0026882 k( 349) = ( 0.3821429 0.2206303 0.5890440), wk = 0.0026882 k( 350) = ( 0.3785714 0.2185683 0.6007082), wk = 0.0026882 k( 351) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0026882 k( 352) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0026882 k( 353) = ( 0.6187500 -0.0829941 0.4082483), wk = 0.0026882 k( 354) = ( 0.6125000 -0.0938194 0.4082483), wk = 0.0026882 k( 355) = ( 0.6062500 -0.1046447 0.4082483), wk = 0.0026882 k( 356) = ( 0.6000000 -0.1154701 0.4082483), wk = 0.0026882 k( 357) = ( 0.5937500 -0.1262954 0.4082483), wk = 0.0026882 k( 358) = ( 0.5875000 -0.1371207 0.4082483), wk = 0.0026882 k( 359) = ( 0.5812500 -0.1479460 0.4082483), wk = 0.0026882 k( 360) = ( 0.5750000 -0.1587713 0.4082483), wk = 0.0026882 k( 361) = ( 0.5687500 -0.1695966 0.4082483), wk = 0.0026882 k( 362) = ( 0.5625000 -0.1804220 0.4082483), wk = 0.0026882 k( 363) = ( 0.5562500 -0.1912473 0.4082483), wk = 0.0026882 k( 364) = ( 0.5500000 -0.2020726 0.4082483), wk = 0.0026882 k( 365) = ( 0.5437500 -0.2128979 0.4082483), wk = 0.0026882 k( 366) = ( 0.5375000 -0.2237232 0.4082483), wk = 0.0026882 k( 367) = ( 0.5312500 -0.2345485 0.4082483), wk = 0.0026882 k( 368) = ( 0.5250000 -0.2453739 0.4082483), wk = 0.0026882 k( 369) = ( 0.5187500 -0.2561992 0.4082483), wk = 0.0026882 k( 370) = ( 0.5125000 -0.2670245 0.4082483), wk = 0.0026882 k( 371) = ( 0.5062500 -0.2778498 0.4082483), wk = 0.0026882 k( 372) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0026882 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026882 k( 2) = ( 0.0089286 0.0000000 0.0089286), wk = 0.0026882 k( 3) = ( 0.0178571 0.0000000 0.0178571), wk = 0.0026882 k( 4) = ( 0.0267857 0.0000000 0.0267857), wk = 0.0026882 k( 5) = ( 0.0357143 0.0000000 0.0357143), wk = 0.0026882 k( 6) = ( 0.0446429 0.0000000 0.0446429), wk = 0.0026882 k( 7) = ( 0.0535714 0.0000000 0.0535714), wk = 0.0026882 k( 8) = ( 0.0625000 0.0000000 0.0625000), wk = 0.0026882 k( 9) = ( 0.0714286 0.0000000 0.0714286), wk = 0.0026882 k( 10) = ( 0.0803571 0.0000000 0.0803571), wk = 0.0026882 k( 11) = ( 0.0892857 0.0000000 0.0892857), wk = 0.0026882 k( 12) = ( 0.0982143 0.0000000 0.0982143), wk = 0.0026882 k( 13) = ( 0.1071429 0.0000000 0.1071429), wk = 0.0026882 k( 14) = ( 0.1160714 0.0000000 0.1160714), wk = 0.0026882 k( 15) = ( 0.1250000 0.0000000 0.1250000), wk = 0.0026882 k( 16) = ( 0.1339286 0.0000000 0.1339286), wk = 0.0026882 k( 17) = ( 0.1428571 0.0000000 0.1428571), wk = 0.0026882 k( 18) = ( 0.1517857 0.0000000 0.1517857), wk = 0.0026882 k( 19) = ( 0.1607143 0.0000000 0.1607143), wk = 0.0026882 k( 20) = ( 0.1696429 0.0000000 0.1696429), wk = 0.0026882 k( 21) = ( 0.1785714 0.0000000 0.1785714), wk = 0.0026882 k( 22) = ( 0.1875000 0.0000000 0.1875000), wk = 0.0026882 k( 23) = ( 0.1964286 0.0000000 0.1964286), wk = 0.0026882 k( 24) = ( 0.2053571 0.0000000 0.2053571), wk = 0.0026882 k( 25) = ( 0.2142857 0.0000000 0.2142857), wk = 0.0026882 k( 26) = ( 0.2232143 0.0000000 0.2232143), wk = 0.0026882 k( 27) = ( 0.2321429 0.0000000 0.2321429), wk = 0.0026882 k( 28) = ( 0.2410714 0.0000000 0.2410714), wk = 0.0026882 k( 29) = ( 0.2500000 0.0000000 0.2500000), wk = 0.0026882 k( 30) = ( 0.2589286 0.0000000 0.2589286), wk = 0.0026882 k( 31) = ( 0.2678571 0.0000000 0.2678571), wk = 0.0026882 k( 32) = ( 0.2767857 0.0000000 0.2767857), wk = 0.0026882 k( 33) = ( 0.2857143 0.0000000 0.2857143), wk = 0.0026882 k( 34) = ( 0.2946429 0.0000000 0.2946429), wk = 0.0026882 k( 35) = ( 0.3035714 0.0000000 0.3035714), wk = 0.0026882 k( 36) = ( 0.3125000 0.0000000 0.3125000), wk = 0.0026882 k( 37) = ( 0.3214286 0.0000000 0.3214286), wk = 0.0026882 k( 38) = ( 0.3303571 0.0000000 0.3303571), wk = 0.0026882 k( 39) = ( 0.3392857 0.0000000 0.3392857), wk = 0.0026882 k( 40) = ( 0.3482143 0.0000000 0.3482143), wk = 0.0026882 k( 41) = ( 0.3571429 0.0000000 0.3571429), wk = 0.0026882 k( 42) = ( 0.3660714 0.0000000 0.3660714), wk = 0.0026882 k( 43) = ( 0.3750000 0.0000000 0.3750000), wk = 0.0026882 k( 44) = ( 0.3839286 0.0000000 0.3839286), wk = 0.0026882 k( 45) = ( 0.3928571 0.0000000 0.3928571), wk = 0.0026882 k( 46) = ( 0.4017857 0.0000000 0.4017857), wk = 0.0026882 k( 47) = ( 0.4107143 0.0000000 0.4107143), wk = 0.0026882 k( 48) = ( 0.4196429 0.0000000 0.4196429), wk = 0.0026882 k( 49) = ( 0.4285714 0.0000000 0.4285714), wk = 0.0026882 k( 50) = ( 0.4375000 0.0000000 0.4375000), wk = 0.0026882 k( 51) = ( 0.4464286 0.0000000 0.4464286), wk = 0.0026882 k( 52) = ( 0.4553571 0.0000000 0.4553571), wk = 0.0026882 k( 53) = ( 0.4642857 0.0000000 0.4642857), wk = 0.0026882 k( 54) = ( 0.4732143 0.0000000 0.4732143), wk = 0.0026882 k( 55) = ( 0.4821429 0.0000000 0.4821429), wk = 0.0026882 k( 56) = ( 0.4910714 0.0000000 0.4910714), wk = 0.0026882 k( 57) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0026882 k( 58) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0026882 k( 59) = ( 0.5000000 0.0089286 0.5089286), wk = 0.0026882 k( 60) = ( 0.5000000 0.0178571 0.5178571), wk = 0.0026882 k( 61) = ( 0.5000000 0.0267857 0.5267857), wk = 0.0026882 k( 62) = ( 0.5000000 0.0357143 0.5357143), wk = 0.0026882 k( 63) = ( 0.5000000 0.0446429 0.5446429), wk = 0.0026882 k( 64) = ( 0.5000000 0.0535714 0.5535714), wk = 0.0026882 k( 65) = ( 0.5000000 0.0625000 0.5625000), wk = 0.0026882 k( 66) = ( 0.5000000 0.0714286 0.5714286), wk = 0.0026882 k( 67) = ( 0.5000000 0.0803571 0.5803571), wk = 0.0026882 k( 68) = ( 0.5000000 0.0892857 0.5892857), wk = 0.0026882 k( 69) = ( 0.5000000 0.0982143 0.5982143), wk = 0.0026882 k( 70) = ( 0.5000000 0.1071429 0.6071429), wk = 0.0026882 k( 71) = ( 0.5000000 0.1160714 0.6160714), wk = 0.0026882 k( 72) = ( 0.5000000 0.1250000 0.6250000), wk = 0.0026882 k( 73) = ( 0.5000000 0.1339286 0.6339286), wk = 0.0026882 k( 74) = ( 0.5000000 0.1428571 0.6428571), wk = 0.0026882 k( 75) = ( 0.5000000 0.1517857 0.6517857), wk = 0.0026882 k( 76) = ( 0.5000000 0.1607143 0.6607143), wk = 0.0026882 k( 77) = ( 0.5000000 0.1696429 0.6696429), wk = 0.0026882 k( 78) = ( 0.5000000 0.1785714 0.6785714), wk = 0.0026882 k( 79) = ( 0.5000000 0.1875000 0.6875000), wk = 0.0026882 k( 80) = ( 0.5000000 0.1964286 0.6964286), wk = 0.0026882 k( 81) = ( 0.5000000 0.2053571 0.7053571), wk = 0.0026882 k( 82) = ( 0.5000000 0.2142857 0.7142857), wk = 0.0026882 k( 83) = ( 0.5000000 0.2232143 0.7232143), wk = 0.0026882 k( 84) = ( 0.5000000 0.2321429 0.7321429), wk = 0.0026882 k( 85) = ( 0.5000000 0.2410714 0.7410714), wk = 0.0026882 k( 86) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0026882 k( 87) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0026882 k( 88) = ( 0.4937500 0.2562500 0.7500000), wk = 0.0026882 k( 89) = ( 0.4875000 0.2625000 0.7500000), wk = 0.0026882 k( 90) = ( 0.4812500 0.2687500 0.7500000), wk = 0.0026882 k( 91) = ( 0.4750000 0.2750000 0.7500000), wk = 0.0026882 k( 92) = ( 0.4687500 0.2812500 0.7500000), wk = 0.0026882 k( 93) = ( 0.4625000 0.2875000 0.7500000), wk = 0.0026882 k( 94) = ( 0.4562500 0.2937500 0.7500000), wk = 0.0026882 k( 95) = ( 0.4500000 0.3000000 0.7500000), wk = 0.0026882 k( 96) = ( 0.4437500 0.3062500 0.7500000), wk = 0.0026882 k( 97) = ( 0.4375000 0.3125000 0.7500000), wk = 0.0026882 k( 98) = ( 0.4312500 0.3187500 0.7500000), wk = 0.0026882 k( 99) = ( 0.4250000 0.3250000 0.7500000), wk = 0.0026882 k( 100) = ( 0.4187500 0.3312500 0.7500000), wk = 0.0026882 k( 101) = ( 0.4125000 0.3375000 0.7500000), wk = 0.0026882 k( 102) = ( 0.4062500 0.3437500 0.7500000), wk = 0.0026882 k( 103) = ( 0.4000000 0.3500000 0.7500000), wk = 0.0026882 k( 104) = ( 0.3937500 0.3562500 0.7500000), wk = 0.0026882 k( 105) = ( 0.3875000 0.3625000 0.7500000), wk = 0.0026882 k( 106) = ( 0.3812500 0.3687500 0.7500000), wk = 0.0026882 k( 107) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0026882 k( 108) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0026882 k( 109) = ( 0.3686441 0.3686441 0.7372881), wk = 0.0026882 k( 110) = ( 0.3622881 0.3622881 0.7245763), wk = 0.0026882 k( 111) = ( 0.3559322 0.3559322 0.7118644), wk = 0.0026882 k( 112) = ( 0.3495763 0.3495763 0.6991525), wk = 0.0026882 k( 113) = ( 0.3432203 0.3432203 0.6864407), wk = 0.0026882 k( 114) = ( 0.3368644 0.3368644 0.6737288), wk = 0.0026882 k( 115) = ( 0.3305085 0.3305085 0.6610170), wk = 0.0026882 k( 116) = ( 0.3241525 0.3241525 0.6483051), wk = 0.0026882 k( 117) = ( 0.3177966 0.3177966 0.6355932), wk = 0.0026882 k( 118) = ( 0.3114407 0.3114407 0.6228814), wk = 0.0026882 k( 119) = ( 0.3050848 0.3050848 0.6101695), wk = 0.0026882 k( 120) = ( 0.2987288 0.2987288 0.5974576), wk = 0.0026882 k( 121) = ( 0.2923729 0.2923729 0.5847458), wk = 0.0026882 k( 122) = ( 0.2860169 0.2860169 0.5720339), wk = 0.0026882 k( 123) = ( 0.2796610 0.2796610 0.5593220), wk = 0.0026882 k( 124) = ( 0.2733051 0.2733051 0.5466102), wk = 0.0026882 k( 125) = ( 0.2669492 0.2669492 0.5338983), wk = 0.0026882 k( 126) = ( 0.2605932 0.2605932 0.5211864), wk = 0.0026882 k( 127) = ( 0.2542373 0.2542373 0.5084746), wk = 0.0026882 k( 128) = ( 0.2478814 0.2478814 0.4957627), wk = 0.0026882 k( 129) = ( 0.2415254 0.2415254 0.4830509), wk = 0.0026882 k( 130) = ( 0.2351695 0.2351695 0.4703390), wk = 0.0026882 k( 131) = ( 0.2288136 0.2288136 0.4576271), wk = 0.0026882 k( 132) = ( 0.2224576 0.2224576 0.4449152), wk = 0.0026882 k( 133) = ( 0.2161017 0.2161017 0.4322034), wk = 0.0026882 k( 134) = ( 0.2097458 0.2097458 0.4194915), wk = 0.0026882 k( 135) = ( 0.2033898 0.2033898 0.4067797), wk = 0.0026882 k( 136) = ( 0.1970339 0.1970339 0.3940678), wk = 0.0026882 k( 137) = ( 0.1906780 0.1906780 0.3813559), wk = 0.0026882 k( 138) = ( 0.1843220 0.1843220 0.3686441), wk = 0.0026882 k( 139) = ( 0.1779661 0.1779661 0.3559322), wk = 0.0026882 k( 140) = ( 0.1716102 0.1716102 0.3432203), wk = 0.0026882 k( 141) = ( 0.1652542 0.1652542 0.3305085), wk = 0.0026882 k( 142) = ( 0.1588983 0.1588983 0.3177966), wk = 0.0026882 k( 143) = ( 0.1525424 0.1525424 0.3050848), wk = 0.0026882 k( 144) = ( 0.1461864 0.1461864 0.2923729), wk = 0.0026882 k( 145) = ( 0.1398305 0.1398305 0.2796610), wk = 0.0026882 k( 146) = ( 0.1334746 0.1334746 0.2669492), wk = 0.0026882 k( 147) = ( 0.1271186 0.1271186 0.2542373), wk = 0.0026882 k( 148) = ( 0.1207627 0.1207627 0.2415254), wk = 0.0026882 k( 149) = ( 0.1144068 0.1144068 0.2288136), wk = 0.0026882 k( 150) = ( 0.1080509 0.1080509 0.2161017), wk = 0.0026882 k( 151) = ( 0.1016949 0.1016949 0.2033898), wk = 0.0026882 k( 152) = ( 0.0953390 0.0953390 0.1906780), wk = 0.0026882 k( 153) = ( 0.0889830 0.0889831 0.1779661), wk = 0.0026882 k( 154) = ( 0.0826271 0.0826271 0.1652542), wk = 0.0026882 k( 155) = ( 0.0762712 0.0762712 0.1525424), wk = 0.0026882 k( 156) = ( 0.0699152 0.0699152 0.1398305), wk = 0.0026882 k( 157) = ( 0.0635593 0.0635593 0.1271186), wk = 0.0026882 k( 158) = ( 0.0572034 0.0572034 0.1144068), wk = 0.0026882 k( 159) = ( 0.0508475 0.0508475 0.1016949), wk = 0.0026882 k( 160) = ( 0.0444915 0.0444915 0.0889830), wk = 0.0026882 k( 161) = ( 0.0381356 0.0381356 0.0762712), wk = 0.0026882 k( 162) = ( 0.0317797 0.0317797 0.0635593), wk = 0.0026882 k( 163) = ( 0.0254237 0.0254237 0.0508475), wk = 0.0026882 k( 164) = ( 0.0190678 0.0190678 0.0381356), wk = 0.0026882 k( 165) = ( 0.0127119 0.0127119 0.0254237), wk = 0.0026882 k( 166) = ( 0.0063559 0.0063559 0.0127119), wk = 0.0026882 k( 167) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026882 k( 168) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026882 k( 169) = ( 0.0102041 0.0102041 0.0102041), wk = 0.0026882 k( 170) = ( 0.0204082 0.0204082 0.0204082), wk = 0.0026882 k( 171) = ( 0.0306122 0.0306122 0.0306122), wk = 0.0026882 k( 172) = ( 0.0408163 0.0408163 0.0408163), wk = 0.0026882 k( 173) = ( 0.0510204 0.0510204 0.0510204), wk = 0.0026882 k( 174) = ( 0.0612245 0.0612245 0.0612245), wk = 0.0026882 k( 175) = ( 0.0714286 0.0714286 0.0714286), wk = 0.0026882 k( 176) = ( 0.0816327 0.0816327 0.0816327), wk = 0.0026882 k( 177) = ( 0.0918367 0.0918367 0.0918367), wk = 0.0026882 k( 178) = ( 0.1020408 0.1020408 0.1020408), wk = 0.0026882 k( 179) = ( 0.1122449 0.1122449 0.1122449), wk = 0.0026882 k( 180) = ( 0.1224490 0.1224490 0.1224490), wk = 0.0026882 k( 181) = ( 0.1326531 0.1326531 0.1326531), wk = 0.0026882 k( 182) = ( 0.1428571 0.1428571 0.1428571), wk = 0.0026882 k( 183) = ( 0.1530612 0.1530612 0.1530612), wk = 0.0026882 k( 184) = ( 0.1632653 0.1632653 0.1632653), wk = 0.0026882 k( 185) = ( 0.1734694 0.1734694 0.1734694), wk = 0.0026882 k( 186) = ( 0.1836735 0.1836735 0.1836735), wk = 0.0026882 k( 187) = ( 0.1938776 0.1938776 0.1938776), wk = 0.0026882 k( 188) = ( 0.2040816 0.2040816 0.2040816), wk = 0.0026882 k( 189) = ( 0.2142857 0.2142857 0.2142857), wk = 0.0026882 k( 190) = ( 0.2244898 0.2244898 0.2244898), wk = 0.0026882 k( 191) = ( 0.2346939 0.2346939 0.2346939), wk = 0.0026882 k( 192) = ( 0.2448980 0.2448980 0.2448980), wk = 0.0026882 k( 193) = ( 0.2551020 0.2551020 0.2551020), wk = 0.0026882 k( 194) = ( 0.2653061 0.2653061 0.2653061), wk = 0.0026882 k( 195) = ( 0.2755102 0.2755102 0.2755102), wk = 0.0026882 k( 196) = ( 0.2857143 0.2857143 0.2857143), wk = 0.0026882 k( 197) = ( 0.2959184 0.2959184 0.2959184), wk = 0.0026882 k( 198) = ( 0.3061224 0.3061225 0.3061225), wk = 0.0026882 k( 199) = ( 0.3163265 0.3163265 0.3163265), wk = 0.0026882 k( 200) = ( 0.3265306 0.3265306 0.3265306), wk = 0.0026882 k( 201) = ( 0.3367347 0.3367347 0.3367347), wk = 0.0026882 k( 202) = ( 0.3469388 0.3469388 0.3469388), wk = 0.0026882 k( 203) = ( 0.3571429 0.3571429 0.3571429), wk = 0.0026882 k( 204) = ( 0.3673469 0.3673469 0.3673469), wk = 0.0026882 k( 205) = ( 0.3775510 0.3775510 0.3775510), wk = 0.0026882 k( 206) = ( 0.3877551 0.3877551 0.3877551), wk = 0.0026882 k( 207) = ( 0.3979592 0.3979592 0.3979592), wk = 0.0026882 k( 208) = ( 0.4081633 0.4081633 0.4081633), wk = 0.0026882 k( 209) = ( 0.4183674 0.4183674 0.4183674), wk = 0.0026882 k( 210) = ( 0.4285714 0.4285714 0.4285714), wk = 0.0026882 k( 211) = ( 0.4387755 0.4387755 0.4387755), wk = 0.0026882 k( 212) = ( 0.4489796 0.4489796 0.4489796), wk = 0.0026882 k( 213) = ( 0.4591837 0.4591837 0.4591837), wk = 0.0026882 k( 214) = ( 0.4693878 0.4693878 0.4693878), wk = 0.0026882 k( 215) = ( 0.4795918 0.4795918 0.4795918), wk = 0.0026882 k( 216) = ( 0.4897959 0.4897959 0.4897959), wk = 0.0026882 k( 217) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0026882 k( 218) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0026882 k( 219) = ( 0.5035714 0.4928571 0.5035714), wk = 0.0026882 k( 220) = ( 0.5071429 0.4857143 0.5071429), wk = 0.0026882 k( 221) = ( 0.5107143 0.4785714 0.5107143), wk = 0.0026882 k( 222) = ( 0.5142857 0.4714286 0.5142857), wk = 0.0026882 k( 223) = ( 0.5178571 0.4642857 0.5178571), wk = 0.0026882 k( 224) = ( 0.5214286 0.4571429 0.5214286), wk = 0.0026882 k( 225) = ( 0.5250000 0.4500000 0.5250000), wk = 0.0026882 k( 226) = ( 0.5285714 0.4428571 0.5285714), wk = 0.0026882 k( 227) = ( 0.5321429 0.4357143 0.5321429), wk = 0.0026882 k( 228) = ( 0.5357143 0.4285714 0.5357143), wk = 0.0026882 k( 229) = ( 0.5392857 0.4214286 0.5392857), wk = 0.0026882 k( 230) = ( 0.5428571 0.4142857 0.5428571), wk = 0.0026882 k( 231) = ( 0.5464286 0.4071429 0.5464286), wk = 0.0026882 k( 232) = ( 0.5500000 0.4000000 0.5500000), wk = 0.0026882 k( 233) = ( 0.5535714 0.3928571 0.5535714), wk = 0.0026882 k( 234) = ( 0.5571429 0.3857143 0.5571429), wk = 0.0026882 k( 235) = ( 0.5607143 0.3785714 0.5607143), wk = 0.0026882 k( 236) = ( 0.5642857 0.3714286 0.5642857), wk = 0.0026882 k( 237) = ( 0.5678571 0.3642857 0.5678571), wk = 0.0026882 k( 238) = ( 0.5714286 0.3571429 0.5714286), wk = 0.0026882 k( 239) = ( 0.5750000 0.3500000 0.5750000), wk = 0.0026882 k( 240) = ( 0.5785714 0.3428571 0.5785714), wk = 0.0026882 k( 241) = ( 0.5821429 0.3357143 0.5821429), wk = 0.0026882 k( 242) = ( 0.5857143 0.3285714 0.5857143), wk = 0.0026882 k( 243) = ( 0.5892857 0.3214286 0.5892857), wk = 0.0026882 k( 244) = ( 0.5928571 0.3142857 0.5928571), wk = 0.0026882 k( 245) = ( 0.5964286 0.3071429 0.5964286), wk = 0.0026882 k( 246) = ( 0.6000000 0.3000000 0.6000000), wk = 0.0026882 k( 247) = ( 0.6035714 0.2928571 0.6035714), wk = 0.0026882 k( 248) = ( 0.6071429 0.2857143 0.6071429), wk = 0.0026882 k( 249) = ( 0.6107143 0.2785714 0.6107143), wk = 0.0026882 k( 250) = ( 0.6142857 0.2714286 0.6142857), wk = 0.0026882 k( 251) = ( 0.6178571 0.2642857 0.6178571), wk = 0.0026882 k( 252) = ( 0.6214286 0.2571429 0.6214286), wk = 0.0026882 k( 253) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0026882 k( 254) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0026882 k( 255) = ( 0.6187500 0.2500000 0.6312500), wk = 0.0026882 k( 256) = ( 0.6125000 0.2500000 0.6375000), wk = 0.0026882 k( 257) = ( 0.6062500 0.2500000 0.6437500), wk = 0.0026882 k( 258) = ( 0.6000000 0.2500000 0.6500000), wk = 0.0026882 k( 259) = ( 0.5937500 0.2500000 0.6562500), wk = 0.0026882 k( 260) = ( 0.5875000 0.2500000 0.6625000), wk = 0.0026882 k( 261) = ( 0.5812500 0.2500000 0.6687500), wk = 0.0026882 k( 262) = ( 0.5750000 0.2500000 0.6750000), wk = 0.0026882 k( 263) = ( 0.5687500 0.2500000 0.6812500), wk = 0.0026882 k( 264) = ( 0.5625000 0.2500000 0.6875000), wk = 0.0026882 k( 265) = ( 0.5562500 0.2500000 0.6937500), wk = 0.0026882 k( 266) = ( 0.5500000 0.2500000 0.7000000), wk = 0.0026882 k( 267) = ( 0.5437500 0.2500000 0.7062500), wk = 0.0026882 k( 268) = ( 0.5375000 0.2500000 0.7125000), wk = 0.0026882 k( 269) = ( 0.5312500 0.2500000 0.7187500), wk = 0.0026882 k( 270) = ( 0.5250000 0.2500000 0.7250000), wk = 0.0026882 k( 271) = ( 0.5187500 0.2500000 0.7312500), wk = 0.0026882 k( 272) = ( 0.5125000 0.2500000 0.7375000), wk = 0.0026882 k( 273) = ( 0.5062500 0.2500000 0.7437500), wk = 0.0026882 k( 274) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0026882 k( 275) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0026882 k( 276) = ( 0.5000000 0.2562500 0.7437500), wk = 0.0026882 k( 277) = ( 0.5000000 0.2625000 0.7375000), wk = 0.0026882 k( 278) = ( 0.5000000 0.2687500 0.7312500), wk = 0.0026882 k( 279) = ( 0.5000000 0.2750000 0.7250000), wk = 0.0026882 k( 280) = ( 0.5000000 0.2812500 0.7187500), wk = 0.0026882 k( 281) = ( 0.5000000 0.2875000 0.7125000), wk = 0.0026882 k( 282) = ( 0.5000000 0.2937500 0.7062500), wk = 0.0026882 k( 283) = ( 0.5000000 0.3000000 0.7000000), wk = 0.0026882 k( 284) = ( 0.5000000 0.3062500 0.6937500), wk = 0.0026882 k( 285) = ( 0.5000000 0.3125000 0.6875000), wk = 0.0026882 k( 286) = ( 0.5000000 0.3187500 0.6812500), wk = 0.0026882 k( 287) = ( 0.5000000 0.3250000 0.6750000), wk = 0.0026882 k( 288) = ( 0.5000000 0.3312500 0.6687500), wk = 0.0026882 k( 289) = ( 0.5000000 0.3375000 0.6625000), wk = 0.0026882 k( 290) = ( 0.5000000 0.3437500 0.6562500), wk = 0.0026882 k( 291) = ( 0.5000000 0.3500000 0.6500000), wk = 0.0026882 k( 292) = ( 0.5000000 0.3562500 0.6437500), wk = 0.0026882 k( 293) = ( 0.5000000 0.3625000 0.6375000), wk = 0.0026882 k( 294) = ( 0.5000000 0.3687500 0.6312500), wk = 0.0026882 k( 295) = ( 0.5000000 0.3750000 0.6250000), wk = 0.0026882 k( 296) = ( 0.5000000 0.3812500 0.6187500), wk = 0.0026882 k( 297) = ( 0.5000000 0.3875000 0.6125000), wk = 0.0026882 k( 298) = ( 0.5000000 0.3937500 0.6062500), wk = 0.0026882 k( 299) = ( 0.5000000 0.4000000 0.6000000), wk = 0.0026882 k( 300) = ( 0.5000000 0.4062500 0.5937500), wk = 0.0026882 k( 301) = ( 0.5000000 0.4125000 0.5875000), wk = 0.0026882 k( 302) = ( 0.5000000 0.4187500 0.5812500), wk = 0.0026882 k( 303) = ( 0.5000000 0.4250000 0.5750000), wk = 0.0026882 k( 304) = ( 0.5000000 0.4312500 0.5687500), wk = 0.0026882 k( 305) = ( 0.5000000 0.4375000 0.5625000), wk = 0.0026882 k( 306) = ( 0.5000000 0.4437500 0.5562500), wk = 0.0026882 k( 307) = ( 0.5000000 0.4500000 0.5500000), wk = 0.0026882 k( 308) = ( 0.5000000 0.4562500 0.5437500), wk = 0.0026882 k( 309) = ( 0.5000000 0.4625000 0.5375000), wk = 0.0026882 k( 310) = ( 0.5000000 0.4687500 0.5312500), wk = 0.0026882 k( 311) = ( 0.5000000 0.4750000 0.5250000), wk = 0.0026882 k( 312) = ( 0.5000000 0.4812500 0.5187500), wk = 0.0026882 k( 313) = ( 0.5000000 0.4875000 0.5125000), wk = 0.0026882 k( 314) = ( 0.5000000 0.4937500 0.5062500), wk = 0.0026882 k( 315) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0026882 k( 316) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0026882 k( 317) = ( 0.4964286 0.4964286 0.5071429), wk = 0.0026882 k( 318) = ( 0.4928571 0.4928571 0.5142857), wk = 0.0026882 k( 319) = ( 0.4892857 0.4892857 0.5214286), wk = 0.0026882 k( 320) = ( 0.4857143 0.4857143 0.5285714), wk = 0.0026882 k( 321) = ( 0.4821429 0.4821429 0.5357143), wk = 0.0026882 k( 322) = ( 0.4785714 0.4785714 0.5428571), wk = 0.0026882 k( 323) = ( 0.4750000 0.4750000 0.5500000), wk = 0.0026882 k( 324) = ( 0.4714286 0.4714286 0.5571429), wk = 0.0026882 k( 325) = ( 0.4678571 0.4678571 0.5642857), wk = 0.0026882 k( 326) = ( 0.4642857 0.4642857 0.5714286), wk = 0.0026882 k( 327) = ( 0.4607143 0.4607143 0.5785714), wk = 0.0026882 k( 328) = ( 0.4571429 0.4571429 0.5857143), wk = 0.0026882 k( 329) = ( 0.4535714 0.4535714 0.5928571), wk = 0.0026882 k( 330) = ( 0.4500000 0.4500000 0.6000000), wk = 0.0026882 k( 331) = ( 0.4464286 0.4464286 0.6071429), wk = 0.0026882 k( 332) = ( 0.4428571 0.4428571 0.6142857), wk = 0.0026882 k( 333) = ( 0.4392857 0.4392857 0.6214286), wk = 0.0026882 k( 334) = ( 0.4357143 0.4357143 0.6285714), wk = 0.0026882 k( 335) = ( 0.4321429 0.4321429 0.6357143), wk = 0.0026882 k( 336) = ( 0.4285714 0.4285714 0.6428571), wk = 0.0026882 k( 337) = ( 0.4250000 0.4250000 0.6500000), wk = 0.0026882 k( 338) = ( 0.4214286 0.4214286 0.6571429), wk = 0.0026882 k( 339) = ( 0.4178571 0.4178571 0.6642857), wk = 0.0026882 k( 340) = ( 0.4142857 0.4142857 0.6714286), wk = 0.0026882 k( 341) = ( 0.4107143 0.4107143 0.6785714), wk = 0.0026882 k( 342) = ( 0.4071429 0.4071429 0.6857143), wk = 0.0026882 k( 343) = ( 0.4035714 0.4035714 0.6928571), wk = 0.0026882 k( 344) = ( 0.4000000 0.4000000 0.7000000), wk = 0.0026882 k( 345) = ( 0.3964286 0.3964286 0.7071429), wk = 0.0026882 k( 346) = ( 0.3928571 0.3928571 0.7142857), wk = 0.0026882 k( 347) = ( 0.3892857 0.3892857 0.7214286), wk = 0.0026882 k( 348) = ( 0.3857143 0.3857143 0.7285714), wk = 0.0026882 k( 349) = ( 0.3821429 0.3821429 0.7357143), wk = 0.0026882 k( 350) = ( 0.3785714 0.3785714 0.7428571), wk = 0.0026882 k( 351) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0026882 k( 352) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0026882 k( 353) = ( 0.6187500 0.2375000 0.6187500), wk = 0.0026882 k( 354) = ( 0.6125000 0.2250000 0.6125000), wk = 0.0026882 k( 355) = ( 0.6062500 0.2125000 0.6062500), wk = 0.0026882 k( 356) = ( 0.6000000 0.2000000 0.6000000), wk = 0.0026882 k( 357) = ( 0.5937500 0.1875000 0.5937500), wk = 0.0026882 k( 358) = ( 0.5875000 0.1750000 0.5875000), wk = 0.0026882 k( 359) = ( 0.5812500 0.1625000 0.5812500), wk = 0.0026882 k( 360) = ( 0.5750000 0.1500000 0.5750000), wk = 0.0026882 k( 361) = ( 0.5687500 0.1375000 0.5687500), wk = 0.0026882 k( 362) = ( 0.5625000 0.1250000 0.5625000), wk = 0.0026882 k( 363) = ( 0.5562500 0.1125000 0.5562500), wk = 0.0026882 k( 364) = ( 0.5500000 0.1000000 0.5500000), wk = 0.0026882 k( 365) = ( 0.5437500 0.0875000 0.5437500), wk = 0.0026882 k( 366) = ( 0.5375000 0.0750000 0.5375000), wk = 0.0026882 k( 367) = ( 0.5312500 0.0625000 0.5312500), wk = 0.0026882 k( 368) = ( 0.5250000 0.0500000 0.5250000), wk = 0.0026882 k( 369) = ( 0.5187500 0.0375000 0.5187500), wk = 0.0026882 k( 370) = ( 0.5125000 0.0250000 0.5125000), wk = 0.0026882 k( 371) = ( 0.5062500 0.0125000 0.5062500), wk = 0.0026882 k( 372) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0026882 Dense grid: 65427 G-vectors FFT dimensions: ( 60, 60, 60) Smooth grid: 18643 G-vectors FFT dimensions: ( 40, 40, 40) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.07 Mb ( 138, 32) NL pseudopotentials 0.05 Mb ( 69, 48) Each V/rho on FFT grid 0.11 Mb ( 7200) Each G-vector array 0.01 Mb ( 1817) G-vector shells 0.00 Mb ( 449) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.27 Mb ( 138, 128) Each subspace H/S matrix 0.02 Mb ( 32, 32) Each matrix 0.05 Mb ( 48, 2, 32) Check: negative/imaginary core charge= -0.000001 0.000000 The potential is recalculated from file : ./PdO.save/charge-density.dat Starting wfc are 28 randomized atomic wfcs + 4 random wfc Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.1 secs Computing kpt #: 2 total cpu time spent up to now is 2.4 secs Computing kpt #: 3 total cpu time spent up to now is 2.7 secs Computing kpt #: 4 total cpu time spent up to now is 2.9 secs Computing kpt #: 5 total cpu time spent up to now is 3.1 secs Computing kpt #: 6 total cpu time spent up to now is 3.3 secs Computing kpt #: 7 total cpu time spent up to now is 3.6 secs Computing kpt #: 8 total cpu time spent up to now is 3.8 secs Computing kpt #: 9 total cpu time spent up to now is 4.0 secs Computing kpt #: 10 total cpu time spent up to now is 4.2 secs Computing kpt #: 11 total cpu time spent up to now is 4.4 secs Computing kpt #: 12 total cpu time spent up to now is 4.7 secs Computing kpt #: 13 total cpu time spent up to now is 4.9 secs Computing kpt #: 14 total cpu time spent up to now is 5.1 secs Computing kpt #: 15 total cpu time spent up to now is 5.3 secs Computing kpt #: 16 total cpu time spent up to now is 5.5 secs Computing kpt #: 17 total cpu time spent up to now is 5.7 secs Computing kpt #: 18 total cpu time spent up to now is 5.9 secs Computing kpt #: 19 total cpu time spent up to now is 6.2 secs Computing kpt #: 20 total cpu time spent up to now is 6.4 secs Computing kpt #: 21 total cpu time spent up to now is 6.6 secs Computing kpt #: 22 total cpu time spent up to now is 6.8 secs Computing kpt #: 23 total cpu time spent up to now is 7.0 secs Computing kpt #: 24 total cpu time spent up to now is 7.2 secs Computing kpt #: 25 total cpu time spent up to now is 7.5 secs Computing kpt #: 26 total cpu time spent up to now is 7.7 secs Computing kpt #: 27 total cpu time spent up to now is 7.9 secs Computing kpt #: 28 total cpu time spent up to now is 8.1 secs Computing kpt #: 29 total cpu time spent up to now is 8.3 secs Computing kpt #: 30 total cpu time spent up to now is 8.5 secs Computing kpt #: 31 total cpu time spent up to now is 8.7 secs Computing kpt #: 32 total cpu time spent up to 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total cpu time spent up to now is 27.1 secs Computing kpt #: 142 total cpu time spent up to now is 27.2 secs Computing kpt #: 143 total cpu time spent up to now is 27.4 secs Computing kpt #: 144 total cpu time spent up to now is 27.5 secs Computing kpt #: 145 total cpu time spent up to now is 27.7 secs Computing kpt #: 146 total cpu time spent up to now is 27.9 secs Computing kpt #: 147 total cpu time spent up to now is 28.0 secs Computing kpt #: 148 total cpu time spent up to now is 28.2 secs Computing kpt #: 149 total cpu time spent up to now is 28.4 secs Computing kpt #: 150 total cpu time spent up to now is 28.5 secs Computing kpt #: 151 total cpu time spent up to now is 28.7 secs Computing kpt #: 152 total cpu time spent up to now is 28.8 secs Computing kpt #: 153 total cpu time spent up to now is 29.0 secs Computing kpt #: 154 total cpu time spent up to now is 29.2 secs Computing kpt #: 155 total cpu time spent up to now is 29.3 secs Computing kpt #: 156 total cpu time spent up 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Computing kpt #: 172 total cpu time spent up to now is 33.3 secs Computing kpt #: 173 total cpu time spent up to now is 33.5 secs Computing kpt #: 174 total cpu time spent up to now is 33.8 secs Computing kpt #: 175 total cpu time spent up to now is 34.0 secs Computing kpt #: 176 total cpu time spent up to now is 34.2 secs Computing kpt #: 177 total cpu time spent up to now is 34.5 secs Computing kpt #: 178 total cpu time spent up to now is 34.7 secs Computing kpt #: 179 total cpu time spent up to now is 34.9 secs Computing kpt #: 180 total cpu time spent up to now is 35.1 secs Computing kpt #: 181 total cpu time spent up to now is 35.3 secs Computing kpt #: 182 total cpu time spent up to now is 35.5 secs Computing kpt #: 183 total cpu time spent up to now is 35.8 secs Computing kpt #: 184 total cpu time spent up to now is 36.0 secs Computing kpt #: 185 total cpu time spent up to now is 36.2 secs Computing kpt #: 186 total cpu time spent up to now is 36.4 secs Computing kpt #: 187 total cpu time spent up to now is 36.6 secs Computing kpt #: 188 total cpu time spent up to now is 36.8 secs Computing kpt #: 189 total cpu time spent up to now is 37.0 secs Computing kpt #: 190 total cpu time spent up to now is 37.3 secs Computing kpt #: 191 total cpu time spent up to now is 37.5 secs Computing kpt #: 192 total cpu time spent up to now is 37.7 secs Computing kpt #: 193 total cpu time spent up to now is 37.9 secs Computing kpt #: 194 total cpu time spent up to now is 38.1 secs Computing kpt #: 195 total cpu time spent up to now is 38.3 secs Computing kpt #: 196 total cpu time spent up to now is 38.5 secs Computing kpt #: 197 total cpu time spent up to now is 38.7 secs Computing kpt #: 198 total cpu time spent up to now is 38.9 secs Computing kpt #: 199 total cpu time spent up to now is 39.1 secs Computing kpt #: 200 total cpu time spent up to now is 39.3 secs Computing kpt #: 201 total cpu time spent up to now is 39.5 secs Computing kpt #: 202 total cpu time spent up to now is 39.7 secs Computing kpt #: 203 total cpu time spent up to now is 39.9 secs Computing kpt #: 204 total cpu time spent up to now is 40.1 secs Computing kpt #: 205 total cpu time spent up to now is 40.3 secs Computing kpt #: 206 total cpu time spent up to now is 40.5 secs Computing kpt #: 207 total cpu time spent up to now is 40.6 secs Computing kpt #: 208 total cpu time spent up to now is 40.8 secs Computing kpt #: 209 total cpu time spent up to now is 41.0 secs Computing kpt #: 210 total cpu time spent up to now is 41.1 secs Computing kpt #: 211 total cpu time spent up to now is 41.3 secs Computing kpt #: 212 total cpu time spent up to now is 41.5 secs Computing kpt #: 213 total cpu time spent up to now is 41.6 secs Computing kpt #: 214 total cpu time spent up to now is 41.8 secs Computing kpt #: 215 total cpu time spent up to now is 42.0 secs Computing kpt #: 216 total cpu time spent up to now is 42.2 secs Computing kpt #: 217 total cpu time spent up to now is 42.3 secs 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total cpu time spent up to now is 45.0 secs Computing kpt #: 234 total cpu time spent up to now is 45.1 secs Computing kpt #: 235 total cpu time spent up to now is 45.3 secs Computing kpt #: 236 total cpu time spent up to now is 45.4 secs Computing kpt #: 237 total cpu time spent up to now is 45.5 secs Computing kpt #: 238 total cpu time spent up to now is 45.7 secs Computing kpt #: 239 total cpu time spent up to now is 45.8 secs Computing kpt #: 240 total cpu time spent up to now is 46.0 secs Computing kpt #: 241 total cpu time spent up to now is 46.1 secs Computing kpt #: 242 total cpu time spent up to now is 46.3 secs Computing kpt #: 243 total cpu time spent up to now is 46.4 secs Computing kpt #: 244 total cpu time spent up to now is 46.5 secs Computing kpt #: 245 total cpu time spent up to now is 46.7 secs Computing kpt #: 246 total cpu time spent up to now is 46.8 secs Computing kpt #: 247 total cpu time spent up to now is 47.0 secs Computing kpt #: 248 total cpu time spent up to now is 47.1 secs Computing kpt #: 249 total cpu time spent up to now is 47.2 secs Computing kpt #: 250 total cpu time spent up to now is 47.4 secs Computing kpt #: 251 total cpu time spent up to now is 47.5 secs Computing kpt #: 252 total cpu time spent up to now is 47.7 secs Computing kpt #: 253 total cpu time spent up to now is 47.8 secs Computing kpt #: 254 total cpu time spent up to now is 47.9 secs Computing kpt #: 255 total cpu time spent up to now is 48.1 secs Computing kpt #: 256 total cpu time spent up to now is 48.2 secs Computing kpt #: 257 total cpu time spent up to now is 48.4 secs Computing kpt #: 258 total cpu time spent up to now is 48.5 secs Computing kpt #: 259 total cpu time spent up to now is 48.6 secs Computing kpt #: 260 total cpu time spent up to now is 48.8 secs Computing kpt #: 261 total cpu time spent up to now is 48.9 secs Computing kpt #: 262 total cpu time spent up to now is 49.1 secs Computing kpt #: 263 total cpu time spent up to now is 49.2 secs Computing kpt #: 264 total cpu time spent up to now is 49.4 secs Computing kpt #: 265 total cpu time spent up to now is 49.5 secs Computing kpt #: 266 total cpu time spent up to now is 49.7 secs Computing kpt #: 267 total cpu time spent up to now is 49.8 secs Computing kpt #: 268 total cpu time spent up to now is 50.4 secs Computing kpt #: 269 total cpu time spent up to now is 50.6 secs Computing kpt #: 270 total cpu time spent up to now is 50.7 secs Computing kpt #: 271 total cpu time spent up to now is 50.9 secs Computing kpt #: 272 total cpu time spent up to now is 51.0 secs Computing kpt #: 273 total cpu time spent up to now is 51.2 secs Computing kpt #: 274 total cpu time spent up to now is 51.3 secs Computing kpt #: 275 total cpu time spent up to now is 51.5 secs Computing kpt #: 276 total cpu time spent up to now is 51.6 secs Computing kpt #: 277 total cpu time spent up to now is 51.8 secs Computing kpt #: 278 total cpu time spent up to now is 51.9 secs Computing kpt #: 279 total cpu time spent up to now is 52.1 secs Computing kpt #: 280 total cpu time spent up to now is 52.2 secs Computing kpt #: 281 total cpu time spent up to now is 52.4 secs Computing kpt #: 282 total cpu time spent up to now is 52.5 secs Computing kpt #: 283 total cpu time spent up to now is 52.7 secs Computing kpt #: 284 total cpu time spent up to now is 52.8 secs Computing kpt #: 285 total cpu time spent up to now is 53.0 secs Computing kpt #: 286 total cpu time spent up to now is 53.1 secs Computing kpt #: 287 total cpu time spent up to now is 53.3 secs Computing kpt #: 288 total cpu time spent up to now is 53.4 secs Computing kpt #: 289 total cpu time spent up to now is 53.5 secs Computing kpt #: 290 total cpu time spent up to now is 53.7 secs Computing kpt #: 291 total cpu time spent up to now is 53.8 secs Computing kpt #: 292 total cpu time spent up to now is 54.0 secs Computing kpt #: 293 total cpu time spent up to now is 54.2 secs Computing kpt #: 294 total cpu time spent up to now is 54.3 secs Computing kpt #: 295 total cpu time spent up to now is 54.5 secs Computing kpt #: 296 total cpu time spent up to now is 54.6 secs Computing kpt #: 297 total cpu time spent up to now is 54.8 secs Computing kpt #: 298 total cpu time spent up to now is 54.9 secs Computing kpt #: 299 total cpu time spent up to now is 55.1 secs Computing kpt #: 300 total cpu time spent up to now is 55.2 secs Computing kpt #: 301 total cpu time spent up to now is 55.4 secs Computing kpt #: 302 total cpu time spent up to now is 55.5 secs Computing kpt #: 303 total cpu time spent up to now is 55.7 secs Computing kpt #: 304 total cpu time spent up to now is 55.8 secs Computing kpt #: 305 total cpu time spent up to now is 56.0 secs Computing kpt #: 306 total cpu time spent up to now is 56.1 secs Computing kpt #: 307 total cpu time spent up to now is 56.3 secs Computing kpt #: 308 total cpu time spent up to now is 56.5 secs Computing kpt #: 309 total cpu time spent up to now is 56.6 secs Computing kpt #: 310 total cpu time spent up to now is 56.8 secs Computing kpt #: 311 total cpu time spent up to now is 57.0 secs Computing kpt #: 312 total cpu time spent up to now is 57.2 secs Computing kpt #: 313 total cpu time spent up to now is 57.3 secs Computing kpt #: 314 total cpu time spent up to now is 57.5 secs Computing kpt #: 315 total cpu time spent up to now is 57.7 secs Computing kpt #: 316 total cpu time spent up to now is 57.8 secs Computing kpt #: 317 total cpu time spent up to now is 58.0 secs Computing kpt #: 318 total cpu time spent up to now is 58.2 secs Computing kpt #: 319 total cpu time spent up to now is 58.3 secs Computing kpt #: 320 total cpu time spent up to now is 58.5 secs Computing kpt #: 321 total cpu time spent up to now is 58.7 secs Computing kpt #: 322 total cpu time spent up to now is 58.8 secs Computing kpt #: 323 total cpu time spent up to now is 59.0 secs Computing kpt #: 324 total cpu time spent up to now is 59.2 secs Computing kpt #: 325 total cpu time spent up to now is 59.3 secs Computing kpt #: 326 total cpu time spent up to now is 59.5 secs Computing kpt #: 327 total cpu time spent up to now is 59.7 secs Computing kpt #: 328 total cpu time spent up to now is 59.8 secs Computing kpt #: 329 total cpu time spent up to now is 60.0 secs Computing kpt #: 330 total cpu time spent up to now is 60.1 secs Computing kpt #: 331 total cpu time spent up to now is 60.3 secs Computing kpt #: 332 total cpu time spent up to now is 60.4 secs Computing kpt #: 333 total cpu time spent up to now is 60.6 secs Computing kpt #: 334 total cpu time spent up to now is 60.7 secs Computing kpt #: 335 total cpu time spent up to now is 60.8 secs Computing kpt #: 336 total cpu time spent up to now is 61.0 secs Computing kpt #: 337 total cpu time spent up to now is 61.1 secs Computing kpt #: 338 total cpu time spent up to now is 61.3 secs Computing kpt #: 339 total cpu time spent up to now is 61.4 secs Computing kpt #: 340 total cpu time spent up to now is 61.6 secs Computing kpt #: 341 total cpu time spent up to now is 61.7 secs Computing kpt #: 342 total cpu time spent up to now is 61.8 secs Computing kpt #: 343 total cpu time spent up to now is 62.0 secs Computing kpt #: 344 total cpu time spent up to now is 62.1 secs Computing kpt #: 345 total cpu time spent up to now is 62.2 secs Computing kpt #: 346 total cpu time spent up to now is 62.4 secs Computing kpt #: 347 total cpu time spent up to now is 62.5 secs Computing kpt #: 348 total cpu time spent up to now is 62.7 secs Computing kpt #: 349 total cpu time spent up to now is 62.8 secs Computing kpt #: 350 total cpu time spent up to now is 62.9 secs Computing kpt #: 351 total cpu time spent up to now is 63.1 secs Computing kpt #: 352 total cpu time spent up to now is 63.2 secs Computing kpt #: 353 total cpu time spent up to now is 63.4 secs Computing kpt #: 354 total cpu time spent up to now is 63.5 secs Computing kpt #: 355 total cpu time spent up to now is 63.6 secs Computing kpt #: 356 total cpu time spent up to now is 63.8 secs Computing kpt #: 357 total cpu time spent up to now is 63.9 secs Computing kpt #: 358 total cpu time spent up to now is 64.1 secs Computing kpt #: 359 total cpu time spent up to now is 64.2 secs Computing kpt #: 360 total cpu time spent up to now is 64.4 secs Computing kpt #: 361 total cpu time spent up to now is 64.5 secs Computing kpt #: 362 total cpu time spent up to now is 64.7 secs Computing kpt #: 363 total cpu time spent up to now is 64.8 secs Computing kpt #: 364 total cpu time spent up to now is 65.0 secs Computing kpt #: 365 total cpu time spent up to now is 65.1 secs Computing kpt #: 366 total cpu time spent up to now is 65.3 secs Computing kpt #: 367 total cpu time spent up to now is 65.5 secs Computing kpt #: 368 total cpu time spent up to now is 65.7 secs Computing kpt #: 369 total cpu time spent up to now is 65.9 secs Computing kpt #: 370 total cpu time spent up to now is 66.1 secs Computing kpt #: 371 total cpu time spent up to now is 66.2 secs Computing kpt #: 372 total cpu time spent up to now is 66.4 secs ethr = 4.17E-08, avg # of iterations = 16.0 total cpu time spent up to now is 66.4 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2277 PWs) bands (ev): -79.0025 -79.0025 -47.8182 -47.8182 -43.3485 -43.3485 -43.3485 -43.3485 -11.7417 -11.7417 2.8041 2.8041 2.8041 2.8041 3.1756 3.1756 3.2183 3.2183 3.2183 3.2183 3.2436 3.2436 3.3027 3.3027 3.3027 3.3027 4.5811 4.5811 17.5735 17.5735 18.0282 18.0282 k = 0.0089-0.0052 0.0073 ( 2277 PWs) bands (ev): -79.0025 -79.0025 -47.8182 -47.8182 -43.3485 -43.3485 -43.3485 -43.3485 -11.7416 -11.7416 2.8012 2.8012 2.8039 2.8039 3.1626 3.1626 3.2091 3.2091 3.2117 3.2117 3.2524 3.2524 3.3034 3.3034 3.3222 3.3222 4.5863 4.5863 17.5605 17.5605 18.0143 18.0143 k = 0.0179-0.0103 0.0146 ( 2301 PWs) bands (ev): -79.0025 -79.0025 -47.8182 -47.8182 -43.3485 -43.3485 -43.3485 -43.3485 -11.7413 -11.7413 2.7920 2.7920 2.8031 2.8031 3.1271 3.1271 3.1929 3.1929 3.2094 3.2094 3.2665 3.2665 3.3060 3.3060 3.3595 3.3595 4.6020 4.6020 17.5227 17.5227 17.9746 17.9746 k = 0.0268-0.0155 0.0219 ( 2309 PWs) bands (ev): -79.0025 -79.0025 -47.8183 -47.8183 -43.3486 -43.3486 -43.3485 -43.3485 -11.7407 -11.7407 2.7767 2.7767 2.8020 2.8020 3.0837 3.0837 3.1760 3.1760 3.2129 3.2129 3.2784 3.2784 3.3123 3.3123 3.3999 3.3999 4.6278 4.6278 17.4630 17.4630 17.9146 17.9147 k = 0.0357-0.0206 0.0292 ( 2317 PWs) bands (ev): -79.0025 -79.0025 -47.8183 -47.8183 -43.3486 -43.3486 -43.3486 -43.3486 -11.7399 -11.7399 2.7545 2.7545 2.8004 2.8004 3.0405 3.0405 3.1590 3.1590 3.2193 3.2193 3.2853 3.2853 3.3241 3.3241 3.4388 3.4388 4.6634 4.6634 17.3855 17.3855 17.8404 17.8404 k = 0.0446-0.0258 0.0365 ( 2321 PWs) bands (ev): -79.0025 -79.0025 -47.8183 -47.8183 -43.3486 -43.3486 -43.3486 -43.3486 -11.7388 -11.7388 2.7249 2.7249 2.7985 2.7985 3.0007 3.0007 3.1424 3.1424 3.2275 3.2275 3.2885 3.2885 3.3399 3.3399 3.4749 3.4749 4.7083 4.7083 17.2939 17.2939 17.7567 17.7567 k = 0.0536-0.0309 0.0437 ( 2321 PWs) bands (ev): -79.0025 -79.0025 -47.8183 -47.8183 -43.3486 -43.3486 -43.3486 -43.3486 -11.7376 -11.7376 2.6882 2.6882 2.7961 2.7961 2.9657 2.9657 3.1262 3.1262 3.2372 3.2372 3.2900 3.2900 3.3577 3.3577 3.5078 3.5078 4.7618 4.7618 17.1914 17.1914 17.6672 17.6672 k = 0.0625-0.0361 0.0510 ( 2317 PWs) bands (ev): -79.0025 -79.0025 -47.8183 -47.8183 -43.3486 -43.3486 -43.3486 -43.3486 -11.7361 -11.7361 2.6451 2.6451 2.7934 2.7934 2.9359 2.9359 3.1106 3.1106 3.2479 3.2479 3.2907 3.2907 3.3762 3.3762 3.5375 3.5375 4.8231 4.8231 17.0804 17.0804 17.5740 17.5740 k = 0.0714-0.0412 0.0583 ( 2325 PWs) bands (ev): -79.0025 -79.0025 -47.8183 -47.8183 -43.3487 -43.3487 -43.3486 -43.3486 -11.7344 -11.7344 2.5972 2.5972 2.7902 2.7902 2.9105 2.9105 3.0954 3.0954 3.2592 3.2592 3.2910 3.2910 3.3948 3.3948 3.5639 3.5639 4.8914 4.8914 16.9623 16.9623 17.4779 17.4779 k = 0.0804-0.0464 0.0656 ( 2317 PWs) bands (ev): -79.0025 -79.0025 -47.8183 -47.8183 -43.3487 -43.3487 -43.3486 -43.3486 -11.7325 -11.7325 2.5460 2.5460 2.7868 2.7868 2.8887 2.8887 3.0810 3.0810 3.2711 3.2711 3.2912 3.2912 3.4137 3.4137 3.5875 3.5875 4.9660 4.9660 16.8377 16.8377 17.3751 17.3755 k = 0.0893-0.0515 0.0729 ( 2317 PWs) bands (ev): -79.0025 -79.0025 -47.8183 -47.8183 -43.3487 -43.3487 -43.3486 -43.3486 -11.7304 -11.7304 2.4930 2.4930 2.7830 2.7830 2.8694 2.8694 3.0671 3.0671 3.2832 3.2832 3.2913 3.2913 3.4323 3.4323 3.6085 3.6085 5.0459 5.0459 16.7065 16.7065 17.2219 17.2219 k = 0.0982-0.0567 0.0802 ( 2317 PWs) bands (ev): -79.0025 -79.0025 -47.8184 -47.8184 -43.3488 -43.3488 -43.3487 -43.3487 -11.7282 -11.7282 2.4393 2.4393 2.7789 2.7789 2.8522 2.8522 3.0538 3.0538 3.2914 3.2914 3.2954 3.2954 3.4508 3.4508 3.6272 3.6272 5.1305 5.1305 16.5682 16.5682 17.0687 17.0687 k = 0.1071-0.0619 0.0875 ( 2317 PWs) bands (ev): -79.0025 -79.0025 -47.8184 -47.8184 -43.3488 -43.3488 -43.3487 -43.3487 -11.7258 -11.7258 2.3858 2.3858 2.7745 2.7745 2.8365 2.8365 3.0411 3.0411 3.2914 3.2914 3.3075 3.3075 3.4689 3.4689 3.6441 3.6441 5.2189 5.2189 16.4218 16.4218 16.9186 16.9186 k = 0.1161-0.0670 0.0948 ( 2317 PWs) bands (ev): -79.0025 -79.0025 -47.8184 -47.8184 -43.3489 -43.3489 -43.3487 -43.3487 -11.7232 -11.7232 2.3332 2.3332 2.7699 2.7699 2.8222 2.8222 3.0291 3.0291 3.2915 3.2915 3.3194 3.3194 3.4866 3.4866 3.6592 3.6592 5.3107 5.3107 16.2665 16.2665 16.7740 16.7740 k = 0.1250-0.0722 0.1021 ( 2321 PWs) bands (ev): -79.0025 -79.0025 -47.8184 -47.8184 -43.3489 -43.3489 -43.3487 -43.3487 -11.7205 -11.7205 2.2818 2.2818 2.7651 2.7651 2.8089 2.8089 3.0176 3.0176 3.2917 3.2917 3.3310 3.3310 3.5039 3.5039 3.6729 3.6729 5.4051 5.4051 16.1022 16.1022 16.6365 16.6365 k = 0.1339-0.0773 0.1094 ( 2313 PWs) bands (ev): -79.0025 -79.0025 -47.8185 -47.8185 -43.3490 -43.3490 -43.3488 -43.3488 -11.7176 -11.7176 2.2322 2.2322 2.7602 2.7602 2.7966 2.7966 3.0067 3.0067 3.2919 3.2919 3.3421 3.3421 3.5206 3.5206 3.6856 3.6856 5.5018 5.5018 15.9299 15.9299 16.5068 16.5068 k = 0.1429-0.0825 0.1166 ( 2313 PWs) bands (ev): -79.0025 -79.0025 -47.8185 -47.8185 -43.3490 -43.3490 -43.3488 -43.3488 -11.7147 -11.7147 2.1846 2.1846 2.7553 2.7553 2.7853 2.7853 2.9963 2.9963 3.2921 3.2921 3.3527 3.3527 3.5368 3.5368 3.6968 3.6968 5.6002 5.6002 15.7506 15.7506 16.3845 16.3845 k = 0.1518-0.0876 0.1239 ( 2313 PWs) bands (ev): -79.0025 -79.0025 -47.8185 -47.8185 -43.3491 -43.3491 -43.3488 -43.3488 -11.7116 -11.7116 2.1392 2.1392 2.7503 2.7503 2.7748 2.7748 2.9865 2.9865 3.2925 3.2925 3.3627 3.3627 3.5523 3.5523 3.7071 3.7071 5.6998 5.6998 15.5660 15.5660 16.2690 16.2690 k = 0.1607-0.0928 0.1312 ( 2309 PWs) bands (ev): -79.0025 -79.0025 -47.8185 -47.8185 -43.3492 -43.3492 -43.3489 -43.3489 -11.7084 -11.7084 2.0963 2.0963 2.7454 2.7454 2.7652 2.7652 2.9771 2.9771 3.2929 3.2929 3.3720 3.3720 3.5672 3.5672 3.7164 3.7164 5.8004 5.8004 15.3778 15.3778 16.1596 16.1596 k = 0.1696-0.0979 0.1385 ( 2317 PWs) bands (ev): -79.0025 -79.0025 -47.8186 -47.8186 -43.3492 -43.3492 -43.3489 -43.3489 -11.7052 -11.7052 2.0560 2.0560 2.7406 2.7406 2.7564 2.7564 2.9681 2.9681 3.2935 3.2935 3.3804 3.3804 3.5813 3.5813 3.7245 3.7245 5.9016 5.9016 15.1874 15.1874 16.0556 16.0556 k = 0.1786-0.1031 0.1458 ( 2317 PWs) bands (ev): -79.0025 -79.0025 -47.8186 -47.8186 -43.3493 -43.3493 -43.3489 -43.3489 -11.7019 -11.7019 2.0183 2.0183 2.7360 2.7360 2.7485 2.7485 2.9596 2.9596 3.2941 3.2941 3.3881 3.3881 3.5946 3.5946 3.7319 3.7319 6.0030 6.0030 14.9959 14.9959 15.9564 15.9564 k = 0.1875-0.1083 0.1531 ( 2317 PWs) bands (ev): -79.0025 -79.0025 -47.8186 -47.8186 -43.3494 -43.3494 -43.3490 -43.3490 -11.6985 -11.6985 1.9835 1.9835 2.7316 2.7316 2.7414 2.7414 2.9514 2.9514 3.2949 3.2949 3.3949 3.3949 3.6071 3.6071 3.7385 3.7385 6.1044 6.1044 14.8044 14.8044 15.8616 15.8616 k = 0.1964-0.1134 0.1604 ( 2305 PWs) bands (ev): -79.0025 -79.0025 -47.8187 -47.8187 -43.3494 -43.3494 -43.3490 -43.3490 -11.6951 -11.6951 1.9517 1.9517 2.7276 2.7276 2.7353 2.7353 2.9437 2.9437 3.2958 3.2958 3.4008 3.4008 3.6188 3.6188 3.7443 3.7443 6.2056 6.2056 14.6136 14.6136 15.7711 15.7711 k = 0.2054-0.1186 0.1677 ( 2325 PWs) bands (ev): -79.0025 -79.0025 -47.8187 -47.8187 -43.3495 -43.3495 -43.3491 -43.3491 -11.6918 -11.6918 1.9226 1.9226 2.7235 2.7235 2.7297 2.7297 2.9361 2.9361 3.2966 3.2966 3.4057 3.4057 3.6295 3.6295 3.7489 3.7489 6.3061 6.3061 14.4242 14.4242 15.6844 15.6844 k = 0.2143-0.1237 0.1750 ( 2321 PWs) bands (ev): -79.0025 -79.0025 -47.8187 -47.8187 -43.3496 -43.3496 -43.3491 -43.3491 -11.6883 -11.6883 1.8967 1.8967 2.7200 2.7200 2.7252 2.7252 2.9289 2.9289 3.2976 3.2976 3.4095 3.4095 3.6394 3.6394 3.7529 3.7529 6.4059 6.4059 14.2369 14.2369 15.6014 15.6014 k = 0.2232-0.1289 0.1823 ( 2321 PWs) bands (ev): -79.0025 -79.0025 -47.8188 -47.8188 -43.3497 -43.3497 -43.3491 -43.3491 -11.6849 -11.6849 1.8738 1.8738 2.7168 2.7168 2.7215 2.7215 2.9221 2.9221 3.2988 3.2988 3.4123 3.4123 3.6483 3.6483 3.7558 3.7558 6.5046 6.5046 14.0521 14.0521 15.5220 15.5220 k = 0.2321-0.1340 0.1895 ( 2321 PWs) bands (ev): -79.0025 -79.0025 -47.8188 -47.8188 -43.3497 -43.3497 -43.3492 -43.3492 -11.6816 -11.6816 1.8541 1.8541 2.7140 2.7140 2.7186 2.7186 2.9156 2.9156 3.3001 3.3001 3.4140 3.4140 3.6563 3.6563 3.7577 3.7577 6.6020 6.6020 13.8702 13.8702 15.4461 15.4461 k = 0.2411-0.1392 0.1968 ( 2321 PWs) bands (ev): -79.0025 -79.0025 -47.8188 -47.8188 -43.3498 -43.3498 -43.3492 -43.3492 -11.6782 -11.6782 1.8374 1.8374 2.7115 2.7115 2.7166 2.7166 2.9094 2.9094 3.3014 3.3014 3.4145 3.4145 3.6634 3.6634 3.7586 3.7586 6.6980 6.6980 13.6917 13.6917 15.3735 15.3735 k = 0.2500-0.1443 0.2041 ( 2333 PWs) bands (ev): -79.0025 -79.0025 -47.8189 -47.8189 -43.3499 -43.3499 -43.3493 -43.3493 -11.6749 -11.6749 1.8237 1.8237 2.7094 2.7094 2.7153 2.7153 2.9035 2.9035 3.3028 3.3028 3.4137 3.4137 3.6693 3.6693 3.7584 3.7584 6.7924 6.7924 13.5168 13.5168 15.3043 15.3043 k = 0.2589-0.1495 0.2114 ( 2329 PWs) bands (ev): -79.0025 -79.0025 -47.8189 -47.8189 -43.3500 -43.3500 -43.3493 -43.3493 -11.6716 -11.6716 1.8133 1.8133 2.7077 2.7077 2.7150 2.7150 2.8980 2.8980 3.3043 3.3043 3.4119 3.4119 3.6745 3.6745 3.7572 3.7572 6.8848 6.8848 13.3461 13.3461 15.2384 15.2384 k = 0.2679-0.1546 0.2187 ( 2321 PWs) bands (ev): -79.0025 -79.0025 -47.8189 -47.8189 -43.3501 -43.3501 -43.3493 -43.3493 -11.6684 -11.6684 1.8059 1.8059 2.7064 2.7064 2.7155 2.7155 2.8930 2.8930 3.3059 3.3059 3.4088 3.4088 3.6787 3.6787 3.7548 3.7548 6.9753 6.9753 13.1796 13.1796 15.1756 15.1756 k = 0.2768-0.1598 0.2260 ( 2321 PWs) bands (ev): -79.0025 -79.0025 -47.8190 -47.8190 -43.3501 -43.3501 -43.3494 -43.3494 -11.6653 -11.6653 1.8015 1.8015 2.7053 2.7053 2.7167 2.7167 2.8883 2.8883 3.3074 3.3074 3.4044 3.4044 3.6820 3.6820 3.7514 3.7514 7.0635 7.0635 13.0177 13.0177 15.1160 15.1160 k = 0.2857-0.1650 0.2333 ( 2321 PWs) bands (ev): -79.0025 -79.0025 -47.8190 -47.8190 -43.3502 -43.3502 -43.3494 -43.3494 -11.6623 -11.6623 1.8000 1.8000 2.7045 2.7045 2.7187 2.7187 2.8840 2.8840 3.3090 3.3090 3.3987 3.3987 3.6844 3.6844 3.7468 3.7468 7.1494 7.1494 12.8607 12.8607 15.0594 15.0594 k = 0.2946-0.1701 0.2406 ( 2329 PWs) bands (ev): -79.0025 -79.0025 -47.8191 -47.8191 -43.3503 -43.3503 -43.3495 -43.3495 -11.6593 -11.6593 1.8014 1.8014 2.7039 2.7039 2.7215 2.7215 2.8802 2.8802 3.3106 3.3106 3.3917 3.3917 3.6858 3.6858 3.7410 3.7410 7.2327 7.2327 12.7087 12.7087 15.0057 15.0057 k = 0.3036-0.1753 0.2479 ( 2329 PWs) bands (ev): -79.0025 -79.0025 -47.8191 -47.8191 -43.3504 -43.3504 -43.3495 -43.3495 -11.6565 -11.6565 1.8058 1.8058 2.7034 2.7034 2.7250 2.7250 2.8769 2.8769 3.3122 3.3122 3.3833 3.3833 3.6865 3.6865 3.7341 3.7341 7.3134 7.3134 12.5620 12.5620 14.9550 14.9550 k = 0.3125-0.1804 0.2552 ( 2329 PWs) bands (ev): -79.0025 -79.0025 -47.8191 -47.8191 -43.3504 -43.3504 -43.3495 -43.3495 -11.6537 -11.6537 1.8129 1.8129 2.7032 2.7032 2.7292 2.7292 2.8741 2.8741 3.3137 3.3137 3.3736 3.3736 3.6864 3.6864 3.7262 3.7262 7.3912 7.3912 12.4207 12.4207 14.9072 14.9072 k = 0.3214-0.1856 0.2624 ( 2337 PWs) bands (ev): -79.0025 -79.0025 -47.8192 -47.8192 -43.3505 -43.3505 -43.3496 -43.3496 -11.6511 -11.6511 1.8227 1.8227 2.7029 2.7029 2.7340 2.7340 2.8720 2.8720 3.3151 3.3151 3.3624 3.3624 3.6854 3.6854 3.7172 3.7172 7.4662 7.4662 12.2852 12.2852 14.8622 14.8622 k = 0.3304-0.1907 0.2697 ( 2357 PWs) bands (ev): -79.0025 -79.0025 -47.8192 -47.8192 -43.3506 -43.3506 -43.3496 -43.3496 -11.6486 -11.6486 1.8351 1.8351 2.7026 2.7026 2.7393 2.7393 2.8703 2.8703 3.3164 3.3164 3.3499 3.3499 3.6838 3.6838 3.7071 3.7071 7.5380 7.5380 12.1554 12.1554 14.8199 14.8199 k = 0.3393-0.1959 0.2770 ( 2349 PWs) bands (ev): -79.0025 -79.0025 -47.8192 -47.8192 -43.3506 -43.3506 -43.3497 -43.3497 -11.6462 -11.6462 1.8500 1.8500 2.7024 2.7024 2.7453 2.7453 2.8694 2.8694 3.3178 3.3178 3.3361 3.3361 3.6818 3.6818 3.6964 3.6964 7.6067 7.6067 12.0316 12.0316 14.7803 14.7803 k = 0.3482-0.2010 0.2843 ( 2349 PWs) bands (ev): -79.0025 -79.0025 -47.8193 -47.8193 -43.3507 -43.3507 -43.3497 -43.3497 -11.6439 -11.6439 1.8671 1.8671 2.7022 2.7022 2.7519 2.7519 2.8691 2.8691 3.3190 3.3190 3.3208 3.3208 3.6791 3.6791 3.6848 3.6848 7.6722 7.6722 11.9140 11.9140 14.7433 14.7433 k = 0.3571-0.2062 0.2916 ( 2349 PWs) bands (ev): -79.0025 -79.0025 -47.8193 -47.8193 -43.3508 -43.3508 -43.3497 -43.3497 -11.6418 -11.6418 1.8864 1.8864 2.7018 2.7018 2.7589 2.7589 2.8695 2.8695 3.3041 3.3041 3.3202 3.3202 3.6725 3.6725 3.6759 3.6759 7.7343 7.7343 11.8026 11.8026 14.7089 14.7089 k = 0.3661-0.2114 0.2989 ( 2341 PWs) bands (ev): -79.0025 -79.0025 -47.8193 -47.8193 -43.3508 -43.3508 -43.3497 -43.3497 -11.6397 -11.6397 1.9076 1.9076 2.7014 2.7014 2.7664 2.7664 2.8705 2.8705 3.2861 3.2861 3.3214 3.3214 3.6598 3.6598 3.6723 3.6723 7.7929 7.7929 11.6975 11.6975 14.6770 14.6770 k = 0.3750-0.2165 0.3062 ( 2337 PWs) bands (ev): -79.0025 -79.0025 -47.8193 -47.8193 -43.3509 -43.3509 -43.3498 -43.3498 -11.6378 -11.6378 1.9305 1.9305 2.7009 2.7009 2.7742 2.7742 2.8720 2.8720 3.2669 3.2669 3.3223 3.3223 3.6467 3.6467 3.6683 3.6683 7.8481 7.8481 11.5990 11.5990 14.6474 14.6474 k = 0.3839-0.2217 0.3135 ( 2337 PWs) bands (ev): -79.0025 -79.0025 -47.8193 -47.8193 -43.3509 -43.3509 -43.3498 -43.3498 -11.6361 -11.6361 1.9549 1.9549 2.7002 2.7002 2.7822 2.7822 2.8741 2.8741 3.2464 3.2464 3.3231 3.3231 3.6333 3.6333 3.6642 3.6642 7.8997 7.8997 11.5069 11.5069 14.6202 14.6202 k = 0.3929-0.2268 0.3208 ( 2345 PWs) bands (ev): -79.0025 -79.0025 -47.8194 -47.8194 -43.3510 -43.3510 -43.3498 -43.3498 -11.6344 -11.6344 1.9805 1.9805 2.6994 2.6994 2.7905 2.7905 2.8766 2.8766 3.2248 3.2248 3.3236 3.3236 3.6198 3.6198 3.6598 3.6598 7.9476 7.9476 11.4215 11.4215 14.5953 14.5953 k = 0.4018-0.2320 0.3281 ( 2345 PWs) bands (ev): -79.0025 -79.0025 -47.8194 -47.8194 -43.3510 -43.3510 -43.3499 -43.3499 -11.6329 -11.6329 2.0071 2.0071 2.6985 2.6985 2.7989 2.7989 2.8794 2.8794 3.2022 3.2022 3.3242 3.3242 3.6065 3.6065 3.6554 3.6554 7.9918 7.9918 11.3428 11.3428 14.5726 14.5726 k = 0.4107-0.2371 0.3353 ( 2337 PWs) bands (ev): -79.0025 -79.0025 -47.8194 -47.8194 -43.3510 -43.3510 -43.3499 -43.3499 -11.6315 -11.6315 2.0342 2.0342 2.6976 2.6976 2.8073 2.8073 2.8825 2.8825 3.1790 3.1790 3.3246 3.3246 3.5937 3.5937 3.6511 3.6511 8.0323 8.0323 11.2708 11.2708 14.5521 14.5521 k = 0.4196-0.2423 0.3426 ( 2337 PWs) bands (ev): -79.0024 -79.0024 -47.8194 -47.8194 -43.3511 -43.3511 -43.3499 -43.3499 -11.6303 -11.6303 2.0615 2.0615 2.6967 2.6967 2.8156 2.8156 2.8858 2.8858 3.1552 3.1552 3.3249 3.3249 3.5812 3.5812 3.6468 3.6468 8.0691 8.0691 11.2056 11.2056 14.5338 14.5338 k = 0.4286-0.2474 0.3499 ( 2337 PWs) bands (ev): -79.0024 -79.0024 -47.8194 -47.8194 -43.3511 -43.3511 -43.3499 -43.3499 -11.6292 -11.6292 2.0884 2.0884 2.6958 2.6958 2.8239 2.8239 2.8890 2.8890 3.1312 3.1312 3.3250 3.3250 3.5695 3.5695 3.6427 3.6427 8.1020 8.1020 11.1472 11.1472 14.5175 14.5175 k = 0.4375-0.2526 0.3572 ( 2341 PWs) bands (ev): -79.0025 -79.0025 -47.8195 -47.8195 -43.3512 -43.3512 -43.3499 -43.3499 -11.6282 -11.6282 2.1145 2.1145 2.6948 2.6948 2.8319 2.8319 2.8922 2.8922 3.1075 3.1075 3.3250 3.3250 3.5586 3.5586 3.6388 3.6388 8.1312 8.1312 11.0956 11.0956 14.5032 14.5032 k = 0.4464-0.2577 0.3645 ( 2333 PWs) bands (ev): -79.0024 -79.0024 -47.8195 -47.8195 -43.3512 -43.3512 -43.3499 -43.3499 -11.6274 -11.6274 2.1393 2.1393 2.6940 2.6940 2.8397 2.8397 2.8953 2.8953 3.0847 3.0847 3.3250 3.3250 3.5489 3.5489 3.6354 3.6354 8.1564 8.1564 11.0509 11.0509 14.4910 14.4910 k = 0.4554-0.2629 0.3718 ( 2329 PWs) bands (ev): -79.0024 -79.0024 -47.8195 -47.8195 -43.3512 -43.3512 -43.3500 -43.3500 -11.6267 -11.6267 2.1619 2.1619 2.6932 2.6932 2.8470 2.8470 2.8981 2.8981 3.0631 3.0631 3.3250 3.3250 3.5403 3.5403 3.6324 3.6324 8.1779 8.1779 11.0130 11.0130 14.4806 14.4806 k = 0.4643-0.2681 0.3791 ( 2329 PWs) bands (ev): -79.0024 -79.0024 -47.8195 -47.8195 -43.3512 -43.3512 -43.3500 -43.3500 -11.6261 -11.6261 2.1819 2.1819 2.6926 2.6926 2.8538 2.8538 2.9005 2.9005 3.0435 3.0435 3.3249 3.3249 3.5330 3.5330 3.6298 3.6298 8.1954 8.1954 10.9820 10.9820 14.4722 14.4722 k = 0.4732-0.2732 0.3864 ( 2329 PWs) bands (ev): -79.0024 -79.0024 -47.8195 -47.8195 -43.3512 -43.3512 -43.3500 -43.3500 -11.6256 -11.6256 2.1983 2.1983 2.6921 2.6921 2.8598 2.8598 2.9024 2.9024 3.0267 3.0267 3.3248 3.3248 3.5272 3.5272 3.6277 3.6277 8.2091 8.2091 10.9579 10.9579 14.4657 14.4657 k = 0.4821-0.2784 0.3937 ( 2330 PWs) bands (ev): -79.0024 -79.0024 -47.8195 -47.8195 -43.3512 -43.3512 -43.3500 -43.3500 -11.6253 -11.6253 2.2107 2.2107 2.6917 2.6917 2.8647 2.8647 2.9039 2.9039 3.0135 3.0135 3.3247 3.3247 3.5230 3.5230 3.6262 3.6262 8.2188 8.2188 10.9407 10.9407 14.4611 14.4611 k = 0.4911-0.2835 0.4010 ( 2338 PWs) bands (ev): -79.0024 -79.0024 -47.8195 -47.8195 -43.3513 -43.3513 -43.3500 -43.3500 -11.6251 -11.6251 2.2183 2.2183 2.6914 2.6914 2.8679 2.8679 2.9047 2.9047 3.0051 3.0051 3.3246 3.3246 3.5204 3.5204 3.6252 3.6252 8.2247 8.2247 10.9304 10.9304 14.4583 14.4583 k = 0.5000-0.2887 0.4082 ( 2346 PWs) bands (ev): -79.0025 -79.0025 -47.8195 -47.8195 -43.3513 -43.3513 -43.3500 -43.3500 -11.6250 -11.6250 2.2209 2.2209 2.6913 2.6913 2.8690 2.8690 2.9050 2.9050 3.0020 3.0020 3.3246 3.3246 3.5194 3.5194 3.6248 3.6248 8.2266 8.2266 10.9269 10.9269 14.4574 14.4574 k = 0.5000-0.2887 0.4082 ( 2346 PWs) bands (ev): -79.0025 -79.0025 -47.8195 -47.8195 -43.3513 -43.3513 -43.3500 -43.3500 -11.6250 -11.6250 2.2209 2.2209 2.6913 2.6913 2.8690 2.8690 2.9050 2.9050 3.0020 3.0020 3.3246 3.3246 3.5194 3.5194 3.6248 3.6248 8.2266 8.2266 10.9269 10.9269 14.4574 14.4574 k = 0.5000-0.2784 0.4155 ( 2342 PWs) bands (ev): -79.0025 -79.0025 -47.8195 -47.8195 -43.3513 -43.3513 -43.3500 -43.3500 -11.6250 -11.6250 2.2208 2.2208 2.6877 2.6877 2.8623 2.8623 2.9046 2.9046 3.0073 3.0073 3.3294 3.3294 3.5200 3.5200 3.6254 3.6254 8.2285 8.2285 10.9279 10.9279 14.4408 14.4408 k = 0.5000-0.2681 0.4228 ( 2336 PWs) bands (ev): -79.0024 -79.0024 -47.8195 -47.8195 -43.3513 -43.3513 -43.3500 -43.3500 -11.6249 -11.6249 2.2206 2.2206 2.6773 2.6773 2.8407 2.8407 2.9088 2.9088 3.0192 3.0192 3.3428 3.3428 3.5219 3.5219 3.6271 3.6271 8.2343 8.2343 10.9309 10.9309 14.3901 14.3901 k = 0.5000-0.2577 0.4301 ( 2328 PWs) bands (ev): -79.0024 -79.0024 -47.8195 -47.8195 -43.3512 -43.3512 -43.3500 -43.3500 -11.6248 -11.6248 2.2203 2.2203 2.6612 2.6612 2.8088 2.8088 2.9190 2.9190 3.0324 3.0324 3.3629 3.3629 3.5252 3.5252 3.6302 3.6302 8.2438 8.2438 10.9360 10.9360 14.3085 14.3085 k = 0.5000-0.2474 0.4374 ( 2322 PWs) bands (ev): -79.0024 -79.0024 -47.8195 -47.8195 -43.3512 -43.3512 -43.3500 -43.3500 -11.6246 -11.6246 2.2199 2.2199 2.6403 2.6403 2.7722 2.7722 2.9324 2.9324 3.0446 3.0446 3.3871 3.3871 3.5302 3.5302 3.6351 3.6351 8.2571 8.2571 10.9431 10.9431 14.2063 14.2063 k = 0.5000-0.2371 0.4447 ( 2322 PWs) bands (ev): -79.0024 -79.0024 -47.8195 -47.8195 -43.3512 -43.3512 -43.3500 -43.3500 -11.6244 -11.6244 2.2194 2.2194 2.6151 2.6151 2.7346 2.7346 2.9470 2.9470 3.0559 3.0559 3.4120 3.4120 3.5372 3.5372 3.6426 3.6426 8.2740 8.2740 10.9523 10.9523 14.0931 14.0931 k = 0.5000-0.2268 0.4520 ( 2322 PWs) bands (ev): -79.0024 -79.0024 -47.8195 -47.8195 -43.3512 -43.3512 -43.3500 -43.3500 -11.6241 -11.6241 2.2188 2.2188 2.5857 2.5857 2.6981 2.6981 2.9617 2.9617 3.0669 3.0669 3.4346 3.4346 3.5462 3.5462 3.6539 3.6539 8.2944 8.2944 10.9635 10.9635 13.9749 13.9749 k = 0.5000-0.2165 0.4593 ( 2326 PWs) bands (ev): -79.0024 -79.0024 -47.8195 -47.8195 -43.3512 -43.3512 -43.3500 -43.3500 -11.6238 -11.6238 2.2181 2.2181 2.5522 2.5522 2.6641 2.6641 2.9755 2.9755 3.0784 3.0784 3.4529 3.4529 3.5564 3.5564 3.6705 3.6705 8.3183 8.3183 10.9769 10.9769 13.8549 13.8549 k = 0.5000-0.2062 0.4666 ( 2334 PWs) bands (ev): -79.0024 -79.0024 -47.8195 -47.8195 -43.3512 -43.3512 -43.3500 -43.3500 -11.6234 -11.6234 2.2173 2.2173 2.5153 2.5153 2.6333 2.6333 2.9877 2.9877 3.0908 3.0908 3.4666 3.4666 3.5662 3.5662 3.6932 3.6932 8.3455 8.3455 10.9923 10.9923 13.7347 13.7347 k = 0.5000-0.1959 0.4739 ( 2334 PWs) bands (ev): -79.0024 -79.0024 -47.8195 -47.8195 -43.3512 -43.3512 -43.3500 -43.3500 -11.6230 -11.6230 2.2165 2.2165 2.4761 2.4761 2.6052 2.6052 2.9981 2.9981 3.1046 3.1046 3.4766 3.4766 3.5746 3.5746 3.7215 3.7215 8.3757 8.3757 11.0099 11.0099 13.6154 13.6154 k = 0.5000-0.1856 0.4811 ( 2332 PWs) bands (ev): -79.0024 -79.0024 -47.8195 -47.8195 -43.3512 -43.3512 -43.3501 -43.3501 -11.6226 -11.6226 2.2156 2.2156 2.4357 2.4357 2.5794 2.5794 3.0067 3.0067 3.1197 3.1197 3.4840 3.4840 3.5813 3.5813 3.7540 3.7540 8.4088 8.4088 11.0298 11.0298 13.4976 13.4976 k = 0.5000-0.1753 0.4884 ( 2332 PWs) bands (ev): -79.0024 -79.0024 -47.8195 -47.8195 -43.3512 -43.3512 -43.3501 -43.3501 -11.6221 -11.6221 2.2146 2.2146 2.3953 2.3953 2.5554 2.5554 3.0136 3.0136 3.1359 3.1359 3.4897 3.4897 3.5864 3.5864 3.7887 3.7887 8.4445 8.4445 11.0518 11.0518 13.3816 13.3816 k = 0.5000-0.1650 0.4957 ( 2328 PWs) bands (ev): -79.0024 -79.0024 -47.8195 -47.8195 -43.3512 -43.3512 -43.3501 -43.3501 -11.6217 -11.6217 2.2131 2.2131 2.3560 2.3560 2.5327 2.5327 3.0191 3.0191 3.1527 3.1527 3.4943 3.4943 3.5905 3.5905 3.8245 3.8245 8.4825 8.4825 11.0760 11.0760 13.2678 13.2678 k = 0.5000-0.1546 0.5030 ( 2332 PWs) bands (ev): -79.0024 -79.0024 -47.8195 -47.8195 -43.3511 -43.3511 -43.3501 -43.3501 -11.6212 -11.6212 2.2107 2.2107 2.3187 2.3187 2.5110 2.5110 3.0236 3.0236 3.1699 3.1699 3.4980 3.4980 3.5939 3.5939 3.8601 3.8601 8.5224 8.5224 11.1026 11.1026 13.1563 13.1563 k = 0.5000-0.1443 0.5103 ( 2324 PWs) bands (ev): -79.0024 -79.0024 -47.8195 -47.8195 -43.3511 -43.3511 -43.3501 -43.3501 -11.6207 -11.6207 2.2062 2.2062 2.2854 2.2854 2.4904 2.4904 3.0272 3.0272 3.1872 3.1872 3.5013 3.5013 3.5968 3.5968 3.8949 3.8949 8.5639 8.5639 11.1315 11.1315 13.0474 13.0474 k = 0.5000-0.1340 0.5176 ( 2324 PWs) bands (ev): -79.0024 -79.0024 -47.8195 -47.8195 -43.3511 -43.3511 -43.3501 -43.3501 -11.6202 -11.6202 2.1962 2.1962 2.2594 2.2594 2.4707 2.4707 3.0302 3.0302 3.2042 3.2042 3.5040 3.5040 3.5992 3.5992 3.9285 3.9285 8.6064 8.6064 11.1627 11.1627 12.9410 12.9410 k = 0.5000-0.1237 0.5249 ( 2324 PWs) bands (ev): -79.0024 -79.0024 -47.8195 -47.8195 -43.3511 -43.3511 -43.3502 -43.3502 -11.6197 -11.6197 2.1775 2.1775 2.2446 2.2446 2.4517 2.4517 3.0327 3.0327 3.2206 3.2206 3.5063 3.5063 3.6014 3.6014 3.9603 3.9603 8.6495 8.6495 11.1963 11.1963 12.8374 12.8374 k = 0.5000-0.1134 0.5322 ( 2326 PWs) bands (ev): -79.0024 -79.0024 -47.8195 -47.8195 -43.3511 -43.3511 -43.3502 -43.3502 -11.6192 -11.6192 2.1524 2.1524 2.2387 2.2387 2.4336 2.4336 3.0348 3.0348 3.2364 3.2364 3.5083 3.5083 3.6034 3.6034 3.9900 3.9900 8.6927 8.6927 11.2324 11.2324 12.7365 12.7365 k = 0.5000-0.1031 0.5395 ( 2322 PWs) bands (ev): -79.0024 -79.0024 -47.8195 -47.8195 -43.3510 -43.3510 -43.3502 -43.3502 -11.6188 -11.6188 2.1259 2.1259 2.2371 2.2371 2.4164 2.4164 3.0366 3.0366 3.2515 3.2515 3.5101 3.5101 3.6052 3.6052 4.0177 4.0177 8.7354 8.7354 11.2710 11.2710 12.6384 12.6384 k = 0.5000-0.0928 0.5468 ( 2318 PWs) bands (ev): -79.0024 -79.0024 -47.8195 -47.8195 -43.3510 -43.3510 -43.3502 -43.3502 -11.6184 -11.6184 2.1001 2.1001 2.2377 2.2377 2.4000 2.4000 3.0382 3.0382 3.2655 3.2655 3.5116 3.5116 3.6067 3.6067 4.0431 4.0431 8.7769 8.7769 11.3120 11.3120 12.5433 12.5433 k = 0.5000-0.0825 0.5541 ( 2322 PWs) bands (ev): -79.0024 -79.0024 -47.8195 -47.8195 -43.3510 -43.3510 -43.3502 -43.3502 -11.6180 -11.6180 2.0762 2.0762 2.2396 2.2396 2.3843 2.3843 3.0394 3.0394 3.2784 3.2784 3.5127 3.5127 3.6081 3.6081 4.0659 4.0659 8.8166 8.8166 11.3556 11.3556 12.4512 12.4512 k = 0.5000-0.0722 0.5613 ( 2318 PWs) bands (ev): -79.0024 -79.0024 -47.8195 -47.8195 -43.3510 -43.3510 -43.3502 -43.3502 -11.6176 -11.6176 2.0547 2.0547 2.2425 2.2425 2.3695 2.3695 3.0405 3.0405 3.2902 3.2902 3.5137 3.5137 3.6093 3.6093 4.0863 4.0863 8.8537 8.8537 11.4016 11.4016 12.3620 12.3620 k = 0.5000-0.0619 0.5686 ( 2318 PWs) bands (ev): -79.0024 -79.0024 -47.8195 -47.8195 -43.3510 -43.3510 -43.3502 -43.3502 -11.6173 -11.6173 2.0356 2.0356 2.2462 2.2462 2.3555 2.3555 3.0414 3.0414 3.3007 3.3007 3.5144 3.5144 3.6102 3.6102 4.1042 4.1042 8.8878 8.8878 11.4501 11.4501 12.2761 12.2761 k = 0.5000-0.0515 0.5759 ( 2318 PWs) bands (ev): -79.0024 -79.0024 -47.8195 -47.8195 -43.3510 -43.3510 -43.3503 -43.3503 -11.6170 -11.6170 2.0193 2.0193 2.2507 2.2507 2.3423 2.3423 3.0421 3.0421 3.3097 3.3097 3.5150 3.5150 3.6111 3.6111 4.1193 4.1193 8.9179 8.9179 11.5010 11.5010 12.1934 12.1934 k = 0.5000-0.0412 0.5832 ( 2322 PWs) bands (ev): -79.0024 -79.0024 -47.8195 -47.8195 -43.3510 -43.3510 -43.3503 -43.3503 -11.6168 -11.6168 2.0058 2.0058 2.2559 2.2559 2.3301 2.3301 3.0427 3.0427 3.3172 3.3172 3.5154 3.5154 3.6117 3.6117 4.1317 4.1317 8.9436 8.9436 11.5541 11.5541 12.1142 12.1142 k = 0.5000-0.0309 0.5905 ( 2326 PWs) bands (ev): -79.0024 -79.0024 -47.8195 -47.8195 -43.3510 -43.3510 -43.3503 -43.3503 -11.6166 -11.6166 1.9953 1.9953 2.2616 2.2616 2.3188 2.3188 3.0432 3.0432 3.3231 3.3231 3.5157 3.5157 3.6122 3.6122 4.1413 4.1413 8.9642 8.9642 11.6089 11.6089 12.0391 12.0391 k = 0.5000-0.0206 0.5978 ( 2328 PWs) bands (ev): -79.0024 -79.0024 -47.8195 -47.8195 -43.3509 -43.3509 -43.3503 -43.3503 -11.6164 -11.6164 1.9876 1.9876 2.2677 2.2677 2.3087 2.3087 3.0435 3.0435 3.3274 3.3274 3.5159 3.5159 3.6126 3.6126 4.1481 4.1481 8.9793 8.9793 11.6640 11.6640 11.9695 11.9695 k = 0.5000-0.0103 0.6051 ( 2328 PWs) bands (ev): -79.0024 -79.0024 -47.8195 -47.8195 -43.3509 -43.3509 -43.3503 -43.3503 -11.6164 -11.6164 1.9830 1.9830 2.2736 2.2736 2.3005 2.3005 3.0437 3.0437 3.3300 3.3300 3.5161 3.5161 3.6128 3.6128 4.1523 4.1523 8.9885 8.9885 11.7146 11.7146 11.9103 11.9103 k = 0.5000 0.0000 0.6124 ( 2328 PWs) bands (ev): -79.0024 -79.0024 -47.8195 -47.8195 -43.3509 -43.3509 -43.3503 -43.3503 -11.6163 -11.6163 1.9815 1.9815 2.2766 2.2766 2.2967 2.2967 3.0438 3.0438 3.3309 3.3309 3.5161 3.5161 3.6129 3.6129 4.1537 4.1537 8.9916 8.9916 11.7403 11.7403 11.8816 11.8816 k = 0.5000 0.0000 0.6124 ( 2328 PWs) bands (ev): -79.0024 -79.0024 -47.8195 -47.8195 -43.3509 -43.3509 -43.3503 -43.3503 -11.6163 -11.6163 1.9815 1.9815 2.2766 2.2766 2.2967 2.2967 3.0438 3.0438 3.3309 3.3309 3.5161 3.5161 3.6129 3.6129 4.1537 4.1537 8.9916 8.9916 11.7403 11.7403 11.8816 11.8816 k = 0.4938 0.0108 0.6124 ( 2328 PWs) bands (ev): -79.0024 -79.0024 -47.8195 -47.8195 -43.3509 -43.3509 -43.3503 -43.3503 -11.6163 -11.6163 1.9819 1.9819 2.2747 2.2747 2.2978 2.2978 3.0442 3.0442 3.3301 3.3301 3.5169 3.5169 3.6131 3.6131 4.1536 4.1536 8.9902 8.9902 11.7260 11.7260 11.8937 11.8937 k = 0.4875 0.0217 0.6124 ( 2329 PWs) bands (ev): -79.0024 -79.0024 -47.8195 -47.8195 -43.3509 -43.3509 -43.3503 -43.3503 -11.6164 -11.6164 1.9830 1.9830 2.2708 2.2708 2.2996 2.2996 3.0453 3.0453 3.3281 3.3281 3.5194 3.5194 3.6137 3.6137 4.1532 4.1532 8.9864 8.9864 11.6953 11.6953 11.9167 11.9167 k = 0.4813 0.0325 0.6124 ( 2324 PWs) bands (ev): -79.0024 -79.0024 -47.8195 -47.8195 -43.3509 -43.3509 -43.3503 -43.3503 -11.6165 -11.6165 1.9848 1.9848 2.2662 2.2662 2.3007 2.3007 3.0469 3.0469 3.3249 3.3249 3.5236 3.5236 3.6147 3.6147 4.1527 4.1527 8.9804 8.9804 11.6600 11.6600 11.9377 11.9377 k = 0.4750 0.0433 0.6124 ( 2321 PWs) bands (ev): -79.0024 -79.0024 -47.8195 -47.8195 -43.3510 -43.3510 -43.3503 -43.3503 -11.6166 -11.6166 1.9873 1.9873 2.2614 2.2614 2.3008 2.3008 3.0487 3.0487 3.3207 3.3207 3.5294 3.5294 3.6160 3.6160 4.1519 4.1519 8.9727 8.9727 11.6243 11.6243 11.9525 11.9525 k = 0.4688 0.0541 0.6124 ( 2317 PWs) bands (ev): -79.0024 -79.0024 -47.8195 -47.8195 -43.3510 -43.3510 -43.3503 -43.3503 -11.6168 -11.6168 1.9903 1.9903 2.2567 2.2567 2.2997 2.2997 3.0506 3.0506 3.3159 3.3159 3.5366 3.5366 3.6176 3.6176 4.1511 4.1511 8.9636 8.9636 11.5895 11.5895 11.9602 11.9602 k = 0.4625 0.0650 0.6124 ( 2317 PWs) bands (ev): -79.0024 -79.0024 -47.8195 -47.8195 -43.3510 -43.3510 -43.3502 -43.3502 -11.6169 -11.6169 1.9938 1.9938 2.2521 2.2521 2.2977 2.2977 3.0523 3.0523 3.3107 3.3107 3.5450 3.5450 3.6194 3.6194 4.1499 4.1499 8.9533 8.9533 11.5564 11.5564 11.9613 11.9613 k = 0.4562 0.0758 0.6124 ( 2319 PWs) bands (ev): -79.0024 -79.0024 -47.8195 -47.8195 -43.3510 -43.3510 -43.3502 -43.3502 -11.6171 -11.6171 1.9977 1.9977 2.2475 2.2475 2.2949 2.2949 3.0536 3.0536 3.3055 3.3055 3.5542 3.5542 3.6215 3.6215 4.1486 4.1486 8.9423 8.9423 11.5253 11.5253 11.9570 11.9570 k = 0.4500 0.0866 0.6124 ( 2319 PWs) bands (ev): -79.0024 -79.0024 -47.8195 -47.8195 -43.3510 -43.3510 -43.3502 -43.3502 -11.6173 -11.6173 2.0019 2.0019 2.2430 2.2430 2.2916 2.2916 3.0544 3.0544 3.3004 3.3004 3.5641 3.5641 3.6238 3.6238 4.1471 4.1471 8.9307 8.9307 11.4962 11.4962 11.9485 11.9485 k = 0.4437 0.0974 0.6124 ( 2321 PWs) bands (ev): -79.0024 -79.0024 -47.8195 -47.8195 -43.3510 -43.3510 -43.3502 -43.3502 -11.6175 -11.6175 2.0064 2.0064 2.2385 2.2385 2.2879 2.2879 3.0545 3.0545 3.2956 3.2956 3.5743 3.5743 3.6265 3.6265 4.1455 4.1455 8.9189 8.9189 11.4693 11.4693 11.9373 11.9373 k = 0.4375 0.1083 0.6124 ( 2323 PWs) bands (ev): -79.0024 -79.0024 -47.8195 -47.8195 -43.3510 -43.3510 -43.3502 -43.3502 -11.6177 -11.6177 2.0111 2.0111 2.2340 2.2340 2.2841 2.2841 3.0540 3.0540 3.2913 3.2913 3.5842 3.5842 3.6296 3.6296 4.1438 4.1438 8.9071 8.9071 11.4447 11.4447 11.9243 11.9243 k = 0.4313 0.1191 0.6124 ( 2325 PWs) bands (ev): -79.0024 -79.0024 -47.8195 -47.8195 -43.3510 -43.3510 -43.3502 -43.3502 -11.6179 -11.6179 2.0159 2.0159 2.2296 2.2296 2.2804 2.2804 3.0530 3.0530 3.2875 3.2875 3.5936 3.5936 3.6333 3.6333 4.1420 4.1420 8.8957 8.8957 11.4223 11.4223 11.9106 11.9106 k = 0.4250 0.1299 0.6124 ( 2325 PWs) bands (ev): -79.0024 -79.0024 -47.8195 -47.8195 -43.3510 -43.3510 -43.3502 -43.3502 -11.6180 -11.6180 2.0206 2.0206 2.2252 2.2252 2.2769 2.2769 3.0514 3.0514 3.2843 3.2843 3.6019 3.6019 3.6378 3.6378 4.1403 4.1403 8.8847 8.8847 11.4023 11.4023 11.8968 11.8968 k = 0.4188 0.1407 0.6124 ( 2323 PWs) bands (ev): -79.0024 -79.0024 -47.8195 -47.8195 -43.3510 -43.3510 -43.3501 -43.3501 -11.6182 -11.6182 2.0252 2.0252 2.2210 2.2210 2.2737 2.2737 3.0495 3.0495 3.2816 3.2816 3.6087 3.6087 3.6431 3.6431 4.1386 4.1386 8.8745 8.8745 11.3846 11.3846 11.8836 11.8836 k = 0.4125 0.1516 0.6124 ( 2330 PWs) bands (ev): -79.0024 -79.0024 -47.8195 -47.8195 -43.3510 -43.3510 -43.3501 -43.3501 -11.6184 -11.6184 2.0296 2.0296 2.2168 2.2168 2.2709 2.2709 3.0474 3.0474 3.2794 3.2794 3.6138 3.6138 3.6491 3.6491 4.1369 4.1369 8.8652 8.8652 11.3692 11.3692 11.8714 11.8714 k = 0.4062 0.1624 0.6124 ( 2328 PWs) bands (ev): -79.0024 -79.0024 -47.8195 -47.8195 -43.3510 -43.3510 -43.3501 -43.3501 -11.6185 -11.6185 2.0335 2.0335 2.2130 2.2130 2.2686 2.2686 3.0453 3.0453 3.2776 3.2776 3.6176 3.6176 3.6554 3.6554 4.1354 4.1354 8.8570 8.8570 11.3562 11.3562 11.8606 11.8606 k = 0.4000 0.1732 0.6124 ( 2329 PWs) bands (ev): -79.0024 -79.0024 -47.8195 -47.8195 -43.3510 -43.3510 -43.3501 -43.3501 -11.6186 -11.6186 2.0370 2.0370 2.2097 2.2097 2.2667 2.2667 3.0433 3.0433 3.2763 3.2763 3.6202 3.6202 3.6613 3.6613 4.1340 4.1340 8.8501 8.8501 11.3455 11.3455 11.8514 11.8514 k = 0.3937 0.1840 0.6124 ( 2324 PWs) bands (ev): -79.0024 -79.0024 -47.8195 -47.8195 -43.3510 -43.3510 -43.3501 -43.3501 -11.6187 -11.6187 2.0400 2.0400 2.2069 2.2069 2.2653 2.2653 3.0416 3.0416 3.2753 3.2753 3.6221 3.6221 3.6664 3.6664 4.1329 4.1329 8.8446 8.8446 11.3372 11.3372 11.8441 11.8441 k = 0.3875 0.1949 0.6124 ( 2324 PWs) bands (ev): -79.0024 -79.0024 -47.8195 -47.8195 -43.3510 -43.3510 -43.3501 -43.3501 -11.6187 -11.6187 2.0421 2.0421 2.2047 2.2047 2.2642 2.2642 3.0403 3.0403 3.2747 3.2747 3.6233 3.6233 3.6702 3.6702 4.1321 4.1321 8.8405 8.8405 11.3313 11.3313 11.8388 11.8388 k = 0.3812 0.2057 0.6124 ( 2326 PWs) bands (ev): -79.0024 -79.0024 -47.8195 -47.8195 -43.3510 -43.3510 -43.3501 -43.3501 -11.6188 -11.6188 2.0434 2.0434 2.2034 2.2034 2.2636 2.2636 3.0394 3.0394 3.2743 3.2743 3.6240 3.6240 3.6726 3.6726 4.1316 4.1316 8.8381 8.8381 11.3277 11.3277 11.8355 11.8355 k = 0.3750 0.2165 0.6124 ( 2329 PWs) bands (ev): -79.0024 -79.0024 -47.8195 -47.8195 -43.3510 -43.3510 -43.3501 -43.3501 -11.6188 -11.6188 2.0438 2.0438 2.2029 2.2029 2.2634 2.2634 3.0391 3.0391 3.2741 3.2741 3.6242 3.6242 3.6734 3.6734 4.1314 4.1314 8.8373 8.8373 11.3266 11.3266 11.8344 11.8344 k = 0.3750 0.2165 0.6124 ( 2329 PWs) bands (ev): -79.0024 -79.0024 -47.8195 -47.8195 -43.3510 -43.3510 -43.3501 -43.3501 -11.6188 -11.6188 2.0438 2.0438 2.2029 2.2029 2.2634 2.2634 3.0391 3.0391 3.2741 3.2741 3.6242 3.6242 3.6734 3.6734 4.1314 4.1314 8.8373 8.8373 11.3266 11.3266 11.8344 11.8344 k = 0.3686 0.2128 0.6020 ( 2325 PWs) bands (ev): -79.0024 -79.0024 -47.8195 -47.8195 -43.3510 -43.3510 -43.3501 -43.3501 -11.6186 -11.6186 2.0078 2.0078 2.1930 2.1930 2.2471 2.2471 3.0525 3.0525 3.2778 3.2778 3.6301 3.6301 3.6820 3.6820 4.1721 4.1721 8.8811 8.8811 11.3649 11.3649 11.7109 11.7109 k = 0.3623 0.2092 0.5916 ( 2321 PWs) bands (ev): -79.0024 -79.0024 -47.8195 -47.8195 -43.3510 -43.3510 -43.3501 -43.3501 -11.6185 -11.6185 1.9730 1.9730 2.1768 2.1768 2.2389 2.2389 3.0655 3.0655 3.2808 3.2808 3.6359 3.6359 3.6900 3.6900 4.2116 4.2116 8.9216 8.9216 11.3972 11.3972 11.6031 11.6031 k = 0.3559 0.2055 0.5812 ( 2313 PWs) bands (ev): -79.0024 -79.0024 -47.8194 -47.8194 -43.3510 -43.3510 -43.3501 -43.3501 -11.6185 -11.6185 1.9397 1.9397 2.1569 2.1569 2.2362 2.2362 3.0784 3.0784 3.2832 3.2832 3.6416 3.6416 3.6974 3.6974 4.2500 4.2500 8.9575 8.9575 11.3955 11.3955 11.5405 11.5405 k = 0.3496 0.2018 0.5709 ( 2315 PWs) bands (ev): -79.0024 -79.0024 -47.8194 -47.8194 -43.3510 -43.3510 -43.3500 -43.3500 -11.6185 -11.6185 1.9077 1.9077 2.1359 2.1359 2.2363 2.2363 3.0906 3.0906 3.2851 3.2851 3.6472 3.6472 3.7041 3.7041 4.2870 4.2870 8.9872 8.9872 11.3315 11.3315 11.5528 11.5528 k = 0.3432 0.1982 0.5605 ( 2315 PWs) bands (ev): -79.0024 -79.0024 -47.8194 -47.8194 -43.3510 -43.3510 -43.3500 -43.3500 -11.6187 -11.6187 1.8772 1.8772 2.1153 2.1153 2.2380 2.2380 3.1023 3.1023 3.2865 3.2865 3.6526 3.6526 3.7101 3.7101 4.3224 4.3224 9.0089 9.0089 11.2520 11.2520 11.5952 11.5952 k = 0.3369 0.1945 0.5501 ( 2315 PWs) bands (ev): -79.0024 -79.0024 -47.8194 -47.8194 -43.3510 -43.3510 -43.3500 -43.3500 -11.6190 -11.6190 1.8485 1.8485 2.0957 2.0957 2.2407 2.2407 3.1134 3.1134 3.2877 3.2877 3.6579 3.6579 3.7155 3.7155 4.3561 4.3561 9.0207 9.0207 11.1802 11.1802 11.6465 11.6465 k = 0.3305 0.1908 0.5397 ( 2315 PWs) bands (ev): -79.0024 -79.0024 -47.8194 -47.8194 -43.3510 -43.3510 -43.3500 -43.3500 -11.6194 -11.6194 1.8215 1.8215 2.0772 2.0772 2.2442 2.2442 3.1236 3.1236 3.2886 3.2886 3.6629 3.6629 3.7201 3.7201 4.3881 4.3881 9.0210 9.0210 11.1221 11.1221 11.7024 11.7024 k = 0.3242 0.1871 0.5293 ( 2315 PWs) bands (ev): -79.0024 -79.0024 -47.8194 -47.8194 -43.3510 -43.3510 -43.3500 -43.3500 -11.6199 -11.6199 1.7963 1.7963 2.0600 2.0600 2.2484 2.2484 3.1328 3.1328 3.2894 3.2894 3.6677 3.6677 3.7240 3.7240 4.4182 4.4182 9.0081 9.0081 11.0805 11.0805 11.7618 11.7618 k = 0.3178 0.1835 0.5190 ( 2315 PWs) bands (ev): -79.0024 -79.0024 -47.8194 -47.8194 -43.3509 -43.3509 -43.3499 -43.3499 -11.6206 -11.6206 1.7731 1.7731 2.0443 2.0443 2.2532 2.2532 3.1411 3.1411 3.2902 3.2902 3.6721 3.6721 3.7272 3.7272 4.4463 4.4463 8.9813 8.9813 11.0567 11.0567 11.8242 11.8242 k = 0.3114 0.1798 0.5086 ( 2323 PWs) bands (ev): -79.0024 -79.0024 -47.8194 -47.8194 -43.3509 -43.3509 -43.3499 -43.3499 -11.6214 -11.6214 1.7518 1.7518 2.0300 2.0300 2.2587 2.2587 3.1481 3.1481 3.2910 3.2910 3.6762 3.6762 3.7297 3.7297 4.4722 4.4722 8.9403 8.9403 11.0512 11.0512 11.8895 11.8895 k = 0.3051 0.1761 0.4982 ( 2319 PWs) bands (ev): -79.0024 -79.0024 -47.8194 -47.8194 -43.3509 -43.3509 -43.3499 -43.3499 -11.6223 -11.6223 1.7327 1.7327 2.0173 2.0173 2.2648 2.2648 3.1539 3.1539 3.2919 3.2919 3.6799 3.6799 3.7315 3.7315 4.4960 4.4960 8.8857 8.8857 11.0636 11.0636 11.9576 11.9576 k = 0.2987 0.1725 0.4878 ( 2325 PWs) bands (ev): -79.0024 -79.0024 -47.8193 -47.8193 -43.3509 -43.3509 -43.3498 -43.3498 -11.6234 -11.6234 1.7157 1.7157 2.0061 2.0061 2.2715 2.2715 3.1585 3.1585 3.2928 3.2928 3.6830 3.6830 3.7326 3.7326 4.5176 4.5176 8.8187 8.8187 11.0928 11.0928 12.0284 12.0284 k = 0.2924 0.1688 0.4774 ( 2325 PWs) bands (ev): -79.0024 -79.0024 -47.8193 -47.8193 -43.3509 -43.3509 -43.3498 -43.3498 -11.6246 -11.6246 1.7008 1.7008 1.9964 1.9964 2.2788 2.2788 3.1619 3.1619 3.2940 3.2940 3.6858 3.6858 3.7330 3.7330 4.5368 4.5368 8.7409 8.7409 11.1372 11.1372 12.1020 12.1020 k = 0.2860 0.1651 0.4671 ( 2321 PWs) bands (ev): -79.0024 -79.0024 -47.8193 -47.8193 -43.3509 -43.3509 -43.3498 -43.3498 -11.6260 -11.6260 1.6882 1.6882 1.9883 1.9883 2.2867 2.2867 3.1641 3.1641 3.2953 3.2953 3.6880 3.6880 3.7328 3.7328 4.5537 4.5537 8.6540 8.6540 11.1952 11.1952 12.1783 12.1783 k = 0.2797 0.1615 0.4567 ( 2321 PWs) bands (ev): -79.0024 -79.0024 -47.8193 -47.8193 -43.3508 -43.3508 -43.3497 -43.3497 -11.6275 -11.6275 1.6778 1.6778 1.9818 1.9818 2.2951 2.2951 3.1650 3.1650 3.2965 3.2965 3.6897 3.6897 3.7318 3.7318 4.5681 4.5681 8.5597 8.5597 11.2652 11.2652 12.2574 12.2574 k = 0.2733 0.1578 0.4463 ( 2325 PWs) bands (ev): -79.0024 -79.0024 -47.8193 -47.8193 -43.3508 -43.3508 -43.3497 -43.3497 -11.6292 -11.6292 1.6697 1.6697 1.9769 1.9769 2.3041 2.3041 3.1649 3.1649 3.2977 3.2977 3.6908 3.6908 3.7301 3.7301 4.5800 4.5800 8.4595 8.4595 11.3457 11.3457 12.3393 12.3393 k = 0.2669 0.1541 0.4359 ( 2321 PWs) bands (ev): -79.0024 -79.0024 -47.8192 -47.8192 -43.3508 -43.3508 -43.3496 -43.3496 -11.6311 -11.6311 1.6640 1.6640 1.9737 1.9737 2.3138 2.3138 3.1639 3.1639 3.2988 3.2988 3.6913 3.6913 3.7278 3.7278 4.5894 4.5894 8.3547 8.3547 11.4354 11.4354 12.4239 12.4239 k = 0.2606 0.1505 0.4255 ( 2329 PWs) bands (ev): -79.0025 -79.0025 -47.8192 -47.8192 -43.3507 -43.3507 -43.3496 -43.3496 -11.6331 -11.6331 1.6607 1.6607 1.9719 1.9719 2.3239 2.3239 3.1620 3.1620 3.2995 3.2995 3.6910 3.6910 3.7247 3.7247 4.5961 4.5961 8.2463 8.2463 11.5333 11.5333 12.5113 12.5113 k = 0.2542 0.1468 0.4152 ( 2329 PWs) bands (ev): -79.0025 -79.0025 -47.8192 -47.8192 -43.3507 -43.3507 -43.3496 -43.3496 -11.6353 -11.6353 1.6598 1.6598 1.9719 1.9719 2.3347 2.3347 3.1595 3.1595 3.3000 3.3000 3.6902 3.6902 3.7209 3.7209 4.6002 4.6002 8.1354 8.1354 11.6385 11.6385 12.6016 12.6016 k = 0.2479 0.1431 0.4048 ( 2325 PWs) bands (ev): -79.0025 -79.0025 -47.8192 -47.8192 -43.3507 -43.3507 -43.3495 -43.3495 -11.6376 -11.6376 1.6613 1.6613 1.9735 1.9735 2.3461 2.3461 3.1563 3.1563 3.3001 3.3001 3.6888 3.6888 3.7164 3.7164 4.6017 4.6017 8.0227 8.0227 11.7503 11.7503 12.6947 12.6947 k = 0.2415 0.1394 0.3944 ( 2329 PWs) bands (ev): -79.0025 -79.0025 -47.8192 -47.8192 -43.3506 -43.3506 -43.3495 -43.3495 -11.6401 -11.6401 1.6652 1.6652 1.9767 1.9767 2.3579 2.3579 3.1526 3.1526 3.2998 3.2998 3.6867 3.6867 3.7112 3.7112 4.6005 4.6005 7.9086 7.9086 11.8680 11.8680 12.7905 12.7905 k = 0.2352 0.1358 0.3840 ( 2331 PWs) bands (ev): -79.0025 -79.0025 -47.8191 -47.8191 -43.3506 -43.3506 -43.3494 -43.3494 -11.6427 -11.6427 1.6716 1.6716 1.9815 1.9815 2.3704 2.3704 3.1484 3.1484 3.2989 3.2989 3.6840 3.6840 3.7053 3.7053 4.5967 4.5967 7.7938 7.7938 11.9913 11.9913 12.8893 12.8893 k = 0.2288 0.1321 0.3737 ( 2339 PWs) bands (ev): -79.0025 -79.0025 -47.8191 -47.8191 -43.3505 -43.3505 -43.3494 -43.3494 -11.6455 -11.6455 1.6804 1.6804 1.9878 1.9878 2.3833 2.3833 3.1439 3.1439 3.2974 3.2974 3.6805 3.6805 3.6987 3.6987 4.5903 4.5903 7.6786 7.6786 12.1195 12.1195 12.9910 12.9910 k = 0.2225 0.1284 0.3633 ( 2331 PWs) bands (ev): -79.0025 -79.0025 -47.8191 -47.8191 -43.3505 -43.3505 -43.3493 -43.3493 -11.6483 -11.6483 1.6917 1.6917 1.9958 1.9958 2.3969 2.3969 3.1391 3.1391 3.2954 3.2954 3.6765 3.6765 3.6916 3.6916 4.5815 4.5815 7.5632 7.5632 12.2526 12.2526 13.0955 13.0955 k = 0.2161 0.1248 0.3529 ( 2335 PWs) bands (ev): -79.0025 -79.0025 -47.8190 -47.8190 -43.3504 -43.3504 -43.3493 -43.3493 -11.6513 -11.6513 1.7054 1.7054 2.0054 2.0054 2.4109 2.4109 3.1341 3.1341 3.2929 3.2929 3.6717 3.6717 3.6838 3.6838 4.5700 4.5700 7.4481 7.4481 12.3901 12.3901 13.2030 13.2030 k = 0.2097 0.1211 0.3425 ( 2335 PWs) bands (ev): -79.0025 -79.0025 -47.8190 -47.8190 -43.3504 -43.3504 -43.3493 -43.3493 -11.6545 -11.6545 1.7215 1.7215 2.0165 2.0165 2.4254 2.4254 3.1289 3.1289 3.2898 3.2898 3.6664 3.6664 3.6754 3.6754 4.5560 4.5560 7.3333 7.3333 12.5319 12.5319 13.3133 13.3133 k = 0.2034 0.1174 0.3321 ( 2331 PWs) bands (ev): -79.0025 -79.0025 -47.8190 -47.8190 -43.3503 -43.3503 -43.3492 -43.3492 -11.6577 -11.6577 1.7400 1.7400 2.0294 2.0294 2.4403 2.4403 3.1237 3.1237 3.2862 3.2862 3.6605 3.6605 3.6666 3.6666 4.5394 4.5394 7.2191 7.2191 12.6776 12.6776 13.4267 13.4267 k = 0.1970 0.1138 0.3218 ( 2331 PWs) bands (ev): -79.0025 -79.0025 -47.8190 -47.8190 -43.3502 -43.3502 -43.3492 -43.3492 -11.6610 -11.6610 1.7609 1.7609 2.0437 2.0437 2.4557 2.4557 3.1183 3.1183 3.2820 3.2820 3.6535 3.6535 3.6575 3.6575 4.5205 4.5205 7.1055 7.1055 12.8272 12.8272 13.5429 13.5429 k = 0.1907 0.1101 0.3114 ( 2327 PWs) bands (ev): -79.0025 -79.0025 -47.8189 -47.8189 -43.3502 -43.3502 -43.3492 -43.3492 -11.6644 -11.6644 1.7841 1.7841 2.0596 2.0596 2.4714 2.4714 3.1129 3.1129 3.2773 3.2773 3.6451 3.6451 3.6489 3.6489 4.4993 4.4993 6.9927 6.9927 12.9803 12.9803 13.6622 13.6622 k = 0.1843 0.1064 0.3010 ( 2325 PWs) bands (ev): -79.0025 -79.0025 -47.8189 -47.8189 -43.3501 -43.3501 -43.3491 -43.3491 -11.6679 -11.6679 1.8097 1.8097 2.0771 2.0771 2.4875 2.4875 3.1076 3.1076 3.2720 3.2720 3.6352 3.6352 3.6409 3.6409 4.4758 4.4758 6.8808 6.8808 13.1369 13.1369 13.7845 13.7845 k = 0.1780 0.1027 0.2906 ( 2325 PWs) bands (ev): -79.0025 -79.0025 -47.8189 -47.8189 -43.3500 -43.3500 -43.3491 -43.3491 -11.6715 -11.6715 1.8375 1.8375 2.0960 2.0960 2.5041 2.5041 3.1023 3.1023 3.2662 3.2662 3.6244 3.6244 3.6326 3.6326 4.4501 4.4501 6.7699 6.7699 13.2967 13.2967 13.9098 13.9098 k = 0.1716 0.0991 0.2802 ( 2325 PWs) bands (ev): -79.0025 -79.0025 -47.8188 -47.8188 -43.3499 -43.3499 -43.3490 -43.3490 -11.6751 -11.6751 1.8675 1.8675 2.1165 2.1165 2.5209 2.5209 3.0971 3.0971 3.2600 3.2600 3.6133 3.6133 3.6239 3.6239 4.4223 4.4223 6.6600 6.6600 13.4597 13.4597 14.0382 14.0382 k = 0.1653 0.0954 0.2699 ( 2325 PWs) bands (ev): -79.0025 -79.0025 -47.8188 -47.8188 -43.3499 -43.3499 -43.3490 -43.3490 -11.6787 -11.6787 1.8996 1.8996 2.1384 2.1384 2.5381 2.5381 3.0920 3.0920 3.2533 3.2533 3.6017 3.6017 3.6148 3.6148 4.3925 4.3925 6.5511 6.5511 13.6254 13.6254 14.1697 14.1697 k = 0.1589 0.0917 0.2595 ( 2325 PWs) bands (ev): -79.0025 -79.0025 -47.8188 -47.8188 -43.3498 -43.3498 -43.3490 -43.3490 -11.6823 -11.6823 1.9338 1.9338 2.1618 2.1618 2.5555 2.5555 3.0871 3.0871 3.2463 3.2463 3.5899 3.5899 3.6053 3.6053 4.3607 4.3607 6.4434 6.4434 13.7939 13.7939 14.3043 14.3043 k = 0.1525 0.0881 0.2491 ( 2325 PWs) bands (ev): -79.0025 -79.0025 -47.8187 -47.8187 -43.3497 -43.3497 -43.3489 -43.3489 -11.6860 -11.6860 1.9701 1.9701 2.1866 2.1866 2.5731 2.5731 3.0824 3.0824 3.2389 3.2389 3.5779 3.5779 3.5955 3.5955 4.3271 4.3271 6.3370 6.3370 13.9647 13.9647 14.4422 14.4422 k = 0.1462 0.0844 0.2387 ( 2325 PWs) bands (ev): -79.0025 -79.0025 -47.8187 -47.8187 -43.3496 -43.3496 -43.3489 -43.3489 -11.6897 -11.6897 2.0082 2.0082 2.2129 2.2129 2.5909 2.5909 3.0780 3.0780 3.2312 3.2312 3.5656 3.5656 3.5852 3.5852 4.2918 4.2918 6.2317 6.2317 14.1378 14.1378 14.5833 14.5833 k = 0.1398 0.0807 0.2283 ( 2325 PWs) bands (ev): -79.0025 -79.0025 -47.8187 -47.8187 -43.3496 -43.3496 -43.3489 -43.3489 -11.6933 -11.6933 2.0481 2.0481 2.2405 2.2405 2.6089 2.6089 3.0739 3.0739 3.2233 3.2233 3.5532 3.5532 3.5746 3.5746 4.2548 4.2548 6.1278 6.1278 14.3127 14.3127 14.7278 14.7278 k = 0.1335 0.0771 0.2180 ( 2311 PWs) bands (ev): -79.0025 -79.0025 -47.8186 -47.8186 -43.3495 -43.3495 -43.3488 -43.3488 -11.6969 -11.6969 2.0897 2.0897 2.2696 2.2696 2.6270 2.6270 3.0701 3.0701 3.2155 3.2155 3.5408 3.5408 3.5639 3.5639 4.2164 4.2164 6.0253 6.0253 14.4893 14.4893 14.8758 14.8758 k = 0.1271 0.0734 0.2076 ( 2311 PWs) bands (ev): -79.0025 -79.0025 -47.8186 -47.8186 -43.3494 -43.3494 -43.3488 -43.3488 -11.7004 -11.7004 2.1328 2.1328 2.3001 2.3001 2.6451 2.6451 3.0668 3.0668 3.2075 3.2075 3.5281 3.5281 3.5528 3.5528 4.1764 4.1764 5.9242 5.9242 14.6672 14.6672 15.0273 15.0273 k = 0.1208 0.0697 0.1972 ( 2307 PWs) bands (ev): -79.0025 -79.0025 -47.8186 -47.8186 -43.3493 -43.3493 -43.3488 -43.3488 -11.7039 -11.7039 2.1772 2.1772 2.3319 2.3319 2.6632 2.6632 3.0639 3.0639 3.1996 3.1996 3.5152 3.5152 3.5416 3.5416 4.1352 4.1352 5.8247 5.8247 14.8458 14.8458 15.1826 15.1826 k = 0.1144 0.0661 0.1868 ( 2307 PWs) bands (ev): -79.0025 -79.0025 -47.8185 -47.8185 -43.3493 -43.3493 -43.3488 -43.3488 -11.7073 -11.7073 2.2226 2.2226 2.3650 2.3650 2.6812 2.6812 3.0615 3.0615 3.1917 3.1917 3.5022 3.5022 3.5304 3.5304 4.0927 4.0927 5.7268 5.7268 15.0250 15.0250 15.3416 15.3416 k = 0.1081 0.0624 0.1764 ( 2315 PWs) bands (ev): -79.0025 -79.0025 -47.8185 -47.8185 -43.3492 -43.3492 -43.3487 -43.3487 -11.7107 -11.7107 2.2688 2.2688 2.3995 2.3995 2.6991 2.6991 3.0597 3.0597 3.1841 3.1841 3.4889 3.4889 3.5190 3.5190 4.0490 4.0490 5.6307 5.6307 15.2041 15.2041 15.5044 15.5044 k = 0.1017 0.0587 0.1661 ( 2311 PWs) bands (ev): -79.0025 -79.0025 -47.8185 -47.8185 -43.3491 -43.3491 -43.3487 -43.3487 -11.7139 -11.7139 2.3156 2.3156 2.4354 2.4354 2.7171 2.7171 3.0586 3.0586 3.1770 3.1770 3.4754 3.4754 3.5078 3.5078 4.0044 4.0044 5.5365 5.5365 15.3830 15.3830 15.6711 15.6711 k = 0.0953 0.0550 0.1557 ( 2323 PWs) bands (ev): -79.0025 -79.0025 -47.8185 -47.8185 -43.3491 -43.3491 -43.3487 -43.3487 -11.7170 -11.7170 2.3624 2.3624 2.4726 2.4726 2.7349 2.7349 3.0581 3.0581 3.1702 3.1702 3.4616 3.4616 3.4965 3.4965 3.9589 3.9589 5.4443 5.4443 15.5612 15.5612 15.8415 15.8415 k = 0.0890 0.0514 0.1453 ( 2319 PWs) bands (ev): -79.0025 -79.0025 -47.8184 -47.8184 -43.3490 -43.3490 -43.3487 -43.3487 -11.7199 -11.7199 2.4088 2.4088 2.5111 2.5111 2.7530 2.7530 3.0585 3.0585 3.1643 3.1643 3.4475 3.4475 3.4854 3.4854 3.9127 3.9127 5.3545 5.3545 15.7386 15.7386 16.0154 16.0154 k = 0.0826 0.0477 0.1349 ( 2319 PWs) bands (ev): -79.0025 -79.0025 -47.8184 -47.8184 -43.3489 -43.3489 -43.3487 -43.3487 -11.7228 -11.7228 2.4544 2.4544 2.5506 2.5506 2.7713 2.7713 3.0598 3.0598 3.1592 3.1592 3.4331 3.4331 3.4743 3.4743 3.8658 3.8658 5.2671 5.2671 15.9149 15.9149 16.1922 16.1922 k = 0.0763 0.0440 0.1246 ( 2319 PWs) bands (ev): -79.0025 -79.0025 -47.8184 -47.8184 -43.3489 -43.3489 -43.3486 -43.3486 -11.7254 -11.7254 2.4986 2.4986 2.5906 2.5906 2.7905 2.7905 3.0621 3.0621 3.1553 3.1553 3.4184 3.4184 3.4631 3.4631 3.8184 3.8184 5.1825 5.1825 16.0900 16.0900 16.3713 16.3713 k = 0.0699 0.0404 0.1142 ( 2323 PWs) bands (ev): -79.0025 -79.0025 -47.8184 -47.8184 -43.3488 -43.3488 -43.3486 -43.3486 -11.7279 -11.7279 2.5412 2.5412 2.6301 2.6301 2.8110 2.8110 3.0656 3.0656 3.1526 3.1526 3.4034 3.4034 3.4518 3.4518 3.7706 3.7706 5.1011 5.1011 16.2637 16.2637 16.5520 16.5520 k = 0.0636 0.0367 0.1038 ( 2323 PWs) bands (ev): -79.0025 -79.0025 -47.8183 -47.8183 -43.3488 -43.3488 -43.3486 -43.3486 -11.7302 -11.7302 2.5818 2.5818 2.6676 2.6676 2.8342 2.8342 3.0704 3.0704 3.1513 3.1513 3.3882 3.3882 3.4403 3.4403 3.7225 3.7225 5.0232 5.0232 16.4357 16.4357 16.7332 16.7332 k = 0.0572 0.0330 0.0934 ( 2327 PWs) bands (ev): -79.0025 -79.0025 -47.8183 -47.8183 -43.3487 -43.3487 -43.3486 -43.3486 -11.7324 -11.7324 2.6202 2.6202 2.7012 2.7012 2.8612 2.8612 3.0768 3.0768 3.1516 3.1516 3.3727 3.3727 3.4285 3.4285 3.6743 3.6743 4.9494 4.9494 16.6054 16.6054 16.9140 16.9140 k = 0.0508 0.0294 0.0830 ( 2327 PWs) bands (ev): -79.0025 -79.0025 -47.8183 -47.8183 -43.3487 -43.3487 -43.3486 -43.3486 -11.7343 -11.7343 2.6560 2.6560 2.7292 2.7292 2.8932 2.8932 3.0851 3.0851 3.1537 3.1537 3.3572 3.3572 3.4160 3.4160 3.6262 3.6262 4.8801 4.8801 16.7717 16.7717 17.0931 17.0931 k = 0.0445 0.0257 0.0727 ( 2331 PWs) bands (ev): -79.0026 -79.0026 -47.8183 -47.8183 -43.3487 -43.3487 -43.3486 -43.3486 -11.7360 -11.7360 2.6890 2.6890 2.7512 2.7512 2.9299 2.9299 3.0956 3.0956 3.1575 3.1575 3.3415 3.3415 3.4028 3.4028 3.5782 3.5782 4.8160 4.8160 16.9327 16.9327 17.2690 17.2690 k = 0.0381 0.0220 0.0623 ( 2327 PWs) bands (ev): -79.0025 -79.0025 -47.8183 -47.8183 -43.3486 -43.3486 -43.3486 -43.3486 -11.7375 -11.7375 2.7187 2.7187 2.7679 2.7679 2.9701 2.9701 3.1088 3.1088 3.1630 3.1630 3.3259 3.3259 3.3888 3.3888 3.5308 3.5308 4.7579 4.7579 17.0858 17.0858 17.4396 17.4396 k = 0.0318 0.0183 0.0519 ( 2329 PWs) bands (ev): -79.0025 -79.0025 -47.8183 -47.8183 -43.3486 -43.3486 -43.3486 -43.3486 -11.7388 -11.7388 2.7443 2.7443 2.7803 2.7803 3.0122 3.0122 3.1248 3.1248 3.1701 3.1701 3.3104 3.3104 3.3735 3.3735 3.4839 3.4839 4.7066 4.7066 17.2266 17.2266 17.6019 17.6019 k = 0.0254 0.0147 0.0415 ( 2313 PWs) bands (ev): -79.0025 -79.0025 -47.8183 -47.8183 -43.3486 -43.3486 -43.3485 -43.3485 -11.7398 -11.7398 2.7658 2.7658 2.7896 2.7896 3.0546 3.0546 3.1437 3.1437 3.1788 3.1788 3.2952 3.2952 3.3571 3.3571 3.4382 3.4382 4.6630 4.6630 17.3496 17.3496 17.7504 17.7504 k = 0.0191 0.0110 0.0311 ( 2309 PWs) bands (ev): -79.0025 -79.0025 -47.8183 -47.8183 -43.3486 -43.3486 -43.3485 -43.3485 -11.7407 -11.7407 2.7825 2.7825 2.7962 2.7962 3.0957 3.0957 3.1648 3.1648 3.1887 3.1887 3.2802 3.2802 3.3398 3.3398 3.3940 3.3940 4.6279 4.6279 17.4486 17.4486 17.8755 17.8755 k = 0.0127 0.0073 0.0208 ( 2291 PWs) bands (ev): -79.0025 -79.0025 -47.8182 -47.8182 -43.3485 -43.3485 -43.3485 -43.3485 -11.7413 -11.7413 2.7945 2.7945 2.8007 2.8007 3.1338 3.1338 3.1869 3.1869 3.1995 3.1995 3.2658 3.2658 3.3228 3.3228 3.3530 3.3530 4.6021 4.6021 17.5190 17.5190 17.9647 17.9647 k = 0.0064 0.0037 0.0104 ( 2277 PWs) bands (ev): -79.0025 -79.0025 -47.8182 -47.8182 -43.3485 -43.3485 -43.3485 -43.3485 -11.7416 -11.7416 2.8018 2.8018 2.8033 2.8033 3.1637 3.1637 3.2072 3.2072 3.2111 3.2111 3.2521 3.2521 3.3087 3.3087 3.3186 3.3186 4.5864 4.5864 17.5601 17.5601 18.0134 18.0134 k = 0.0000 0.0000 0.0000 ( 2277 PWs) bands (ev): -79.0025 -79.0025 -47.8182 -47.8182 -43.3485 -43.3485 -43.3485 -43.3485 -11.7417 -11.7417 2.8041 2.8041 2.8041 2.8041 3.1756 3.1756 3.2183 3.2183 3.2183 3.2183 3.2436 3.2436 3.3027 3.3027 3.3027 3.3027 4.5811 4.5811 17.5735 17.5735 18.0282 18.0282 k = 0.0000 0.0000 0.0000 ( 2277 PWs) bands (ev): -79.0025 -79.0025 -47.8182 -47.8182 -43.3485 -43.3485 -43.3485 -43.3485 -11.7417 -11.7417 2.8041 2.8041 2.8041 2.8041 3.1756 3.1756 3.2183 3.2183 3.2183 3.2183 3.2436 3.2436 3.3027 3.3027 3.3027 3.3027 4.5811 4.5811 17.5735 17.5735 18.0282 18.0282 k = 0.0102 0.0059 0.0042 ( 2277 PWs) bands (ev): -79.0025 -79.0025 -47.8182 -47.8182 -43.3485 -43.3485 -43.3485 -43.3485 -11.7416 -11.7416 2.8022 2.8022 2.8030 2.8030 3.1645 3.1645 3.2074 3.2074 3.2107 3.2107 3.2517 3.2517 3.3127 3.3127 3.3144 3.3144 4.5862 4.5862 17.5605 17.5605 18.0138 18.0138 k = 0.0204 0.0118 0.0083 ( 2295 PWs) bands (ev): -79.0025 -79.0025 -47.8182 -47.8182 -43.3485 -43.3485 -43.3485 -43.3485 -11.7413 -11.7413 2.7964 2.7964 2.7992 2.7992 3.1377 3.1377 3.1880 3.1880 3.1943 3.1943 3.2638 3.2638 3.3360 3.3360 3.3419 3.3419 4.6014 4.6014 17.5196 17.5196 17.9650 17.9650 k = 0.0306 0.0177 0.0125 ( 2316 PWs) bands (ev): -79.0025 -79.0025 -47.8183 -47.8183 -43.3486 -43.3486 -43.3485 -43.3485 -11.7407 -11.7407 2.7867 2.7867 2.7930 2.7930 3.1039 3.1039 3.1664 3.1664 3.1765 3.1765 3.2750 3.2750 3.3652 3.3652 3.3760 3.3760 4.6262 4.6262 17.4457 17.4457 17.8814 17.8814 k = 0.0408 0.0236 0.0167 ( 2319 PWs) bands (ev): -79.0025 -79.0025 -47.8183 -47.8183 -43.3486 -43.3486 -43.3485 -43.3485 -11.7399 -11.7399 2.7735 2.7735 2.7839 2.7839 3.0667 3.0667 3.1443 3.1443 3.1601 3.1601 3.2850 3.2850 3.3979 3.3979 3.4132 3.4132 4.6599 4.6599 17.3342 17.3342 17.7832 17.7832 k = 0.0510 0.0295 0.0208 ( 2319 PWs) bands (ev): -79.0025 -79.0025 -47.8183 -47.8183 -43.3486 -43.3486 -43.3485 -43.3485 -11.7389 -11.7389 2.7569 2.7569 2.7716 2.7716 3.0272 3.0272 3.1228 3.1228 3.1461 3.1461 3.2942 3.2942 3.4326 3.4326 3.4519 3.4519 4.7016 4.7016 17.1873 17.1873 17.6874 17.6874 k = 0.0612 0.0353 0.0250 ( 2313 PWs) bands (ev): -79.0025 -79.0025 -47.8183 -47.8183 -43.3486 -43.3486 -43.3486 -43.3486 -11.7376 -11.7376 2.7371 2.7371 2.7558 2.7558 2.9858 2.9858 3.1032 3.1032 3.1347 3.1347 3.3028 3.3028 3.4686 3.4686 3.4914 3.4914 4.7505 4.7505 17.0139 17.0139 17.5964 17.5964 k = 0.0714 0.0412 0.0292 ( 2319 PWs) bands (ev): -79.0025 -79.0025 -47.8183 -47.8183 -43.3487 -43.3487 -43.3486 -43.3486 -11.7362 -11.7362 2.7145 2.7145 2.7359 2.7359 2.9428 2.9428 3.0863 3.0863 3.1260 3.1260 3.3109 3.3109 3.5055 3.5055 3.5314 3.5314 4.8057 4.8057 16.8235 16.8235 17.5073 17.5073 k = 0.0816 0.0471 0.0333 ( 2313 PWs) bands (ev): -79.0025 -79.0025 -47.8183 -47.8183 -43.3487 -43.3487 -43.3486 -43.3486 -11.7345 -11.7345 2.6897 2.6897 2.7120 2.7120 2.8988 2.8988 3.0726 3.0726 3.1198 3.1198 3.3190 3.3190 3.5432 3.5432 3.5716 3.5716 4.8663 4.8663 16.6228 16.6228 17.4179 17.4179 k = 0.0918 0.0530 0.0375 ( 2319 PWs) bands (ev): -79.0025 -79.0025 -47.8183 -47.8183 -43.3487 -43.3487 -43.3486 -43.3486 -11.7326 -11.7326 2.6629 2.6629 2.6839 2.6839 2.8540 2.8540 3.0623 3.0623 3.1157 3.1157 3.3269 3.3269 3.5813 3.5813 3.6120 3.6120 4.9318 4.9318 16.4158 16.4158 17.3268 17.3268 k = 0.1020 0.0589 0.0417 ( 2319 PWs) bands (ev): -79.0025 -79.0025 -47.8183 -47.8183 -43.3488 -43.3488 -43.3486 -43.3486 -11.7306 -11.7306 2.6347 2.6347 2.6519 2.6519 2.8093 2.8093 3.0550 3.0550 3.1136 3.1136 3.3351 3.3351 3.6198 3.6198 3.6524 3.6524 5.0014 5.0014 16.2052 16.2052 17.2339 17.2339 k = 0.1122 0.0648 0.0458 ( 2331 PWs) bands (ev): -79.0025 -79.0025 -47.8184 -47.8184 -43.3488 -43.3488 -43.3486 -43.3486 -11.7283 -11.7283 2.6053 2.6053 2.6161 2.6161 2.7652 2.7652 3.0506 3.0506 3.1130 3.1130 3.3433 3.3433 3.6584 3.6584 3.6927 3.6927 5.0747 5.0747 15.9924 15.9924 17.1393 17.1393 k = 0.1224 0.0707 0.0500 ( 2331 PWs) bands (ev): -79.0025 -79.0025 -47.8184 -47.8184 -43.3489 -43.3489 -43.3486 -43.3486 -11.7259 -11.7259 2.5752 2.5752 2.5768 2.5768 2.7224 2.7224 3.0486 3.0486 3.1139 3.1139 3.3519 3.3519 3.6971 3.6971 3.7329 3.7329 5.1511 5.1511 15.7787 15.7787 17.0433 17.0433 k = 0.1327 0.0766 0.0542 ( 2331 PWs) bands (ev): -79.0025 -79.0025 -47.8184 -47.8184 -43.3490 -43.3490 -43.3486 -43.3486 -11.7233 -11.7233 2.5345 2.5345 2.5447 2.5447 2.6811 2.6811 3.0487 3.0487 3.1160 3.1160 3.3609 3.3609 3.7359 3.7359 3.7729 3.7729 5.2305 5.2305 15.5646 15.5646 16.9464 16.9464 k = 0.1429 0.0825 0.0583 ( 2334 PWs) bands (ev): -79.0025 -79.0025 -47.8184 -47.8184 -43.3490 -43.3490 -43.3487 -43.3487 -11.7205 -11.7205 2.4896 2.4896 2.5138 2.5138 2.6414 2.6414 3.0504 3.0504 3.1192 3.1192 3.3702 3.3702 3.7745 3.7745 3.8126 3.8126 5.3124 5.3124 15.3508 15.3508 16.8487 16.8487 k = 0.1531 0.0884 0.0625 ( 2331 PWs) bands (ev): -79.0025 -79.0025 -47.8185 -47.8185 -43.3491 -43.3491 -43.3487 -43.3487 -11.7176 -11.7176 2.4428 2.4428 2.4829 2.4829 2.6034 2.6034 3.0536 3.0536 3.1232 3.1232 3.3799 3.3799 3.8130 3.8130 3.8519 3.8519 5.3966 5.3966 15.1377 15.1377 16.7508 16.7508 k = 0.1633 0.0943 0.0667 ( 2331 PWs) bands (ev): -79.0025 -79.0025 -47.8185 -47.8185 -43.3492 -43.3492 -43.3487 -43.3487 -11.7146 -11.7146 2.3945 2.3945 2.4520 2.4520 2.5668 2.5668 3.0581 3.0581 3.1280 3.1280 3.3899 3.3899 3.8512 3.8512 3.8909 3.8909 5.4829 5.4829 14.9256 14.9256 16.6529 16.6529 k = 0.1735 0.1002 0.0708 ( 2331 PWs) bands (ev): -79.0025 -79.0025 -47.8185 -47.8185 -43.3492 -43.3492 -43.3487 -43.3487 -11.7114 -11.7114 2.3454 2.3454 2.4214 2.4214 2.5316 2.5316 3.0635 3.0635 3.1334 3.1334 3.4003 3.4003 3.8891 3.8891 3.9294 3.9294 5.5711 5.5711 14.7147 14.7147 16.5553 16.5553 k = 0.1837 0.1060 0.0750 ( 2319 PWs) bands (ev): -79.0025 -79.0025 -47.8185 -47.8185 -43.3493 -43.3493 -43.3487 -43.3487 -11.7082 -11.7082 2.2960 2.2960 2.3911 2.3911 2.4975 2.4975 3.0699 3.0699 3.1395 3.1395 3.4111 3.4111 3.9267 3.9267 3.9675 3.9675 5.6611 5.6611 14.5053 14.5053 16.4584 16.4584 k = 0.1939 0.1119 0.0792 ( 2319 PWs) bands (ev): -79.0025 -79.0025 -47.8186 -47.8186 -43.3494 -43.3494 -43.3487 -43.3487 -11.7048 -11.7048 2.2464 2.2464 2.3611 2.3611 2.4644 2.4644 3.0769 3.0769 3.1460 3.1460 3.4222 3.4222 3.9637 3.9637 4.0050 4.0050 5.7527 5.7527 14.2975 14.2975 16.3623 16.3623 k = 0.2041 0.1178 0.0833 ( 2319 PWs) bands (ev): -79.0025 -79.0025 -47.8186 -47.8186 -43.3494 -43.3494 -43.3487 -43.3487 -11.7014 -11.7014 2.1972 2.1972 2.3317 2.3317 2.4324 2.4324 3.0846 3.0846 3.1529 3.1529 3.4336 3.4336 4.0002 4.0002 4.0418 4.0418 5.8459 5.8459 14.0914 14.0914 16.2673 16.2673 k = 0.2143 0.1237 0.0875 ( 2322 PWs) bands (ev): -79.0025 -79.0025 -47.8186 -47.8186 -43.3495 -43.3495 -43.3488 -43.3488 -11.6978 -11.6978 2.1484 2.1484 2.3028 2.3028 2.4013 2.4013 3.0927 3.0927 3.1602 3.1602 3.4452 3.4452 4.0361 4.0361 4.0780 4.0780 5.9405 5.9405 13.8873 13.8873 16.1737 16.1737 k = 0.2245 0.1296 0.0916 ( 2322 PWs) bands (ev): -79.0025 -79.0025 -47.8186 -47.8186 -43.3496 -43.3496 -43.3488 -43.3488 -11.6943 -11.6943 2.1004 2.1004 2.2746 2.2746 2.3711 2.3711 3.1012 3.1012 3.1677 3.1677 3.4570 3.4570 4.0714 4.0714 4.1136 4.1136 6.0366 6.0366 13.6851 13.6851 16.0816 16.0816 k = 0.2347 0.1355 0.0958 ( 2322 PWs) bands (ev): -79.0025 -79.0025 -47.8187 -47.8187 -43.3497 -43.3497 -43.3488 -43.3488 -11.6906 -11.6906 2.0534 2.0534 2.2470 2.2470 2.3419 2.3419 3.1102 3.1102 3.1755 3.1755 3.4691 3.4691 4.1060 4.1060 4.1483 4.1483 6.1339 6.1339 13.4851 13.4851 15.9913 15.9913 k = 0.2449 0.1414 0.1000 ( 2328 PWs) bands (ev): -79.0025 -79.0025 -47.8187 -47.8187 -43.3498 -43.3498 -43.3488 -43.3488 -11.6870 -11.6870 2.0074 2.0074 2.2201 2.2201 2.3136 2.3136 3.1193 3.1193 3.1833 3.1833 3.4814 3.4814 4.1398 4.1398 4.1822 4.1822 6.2326 6.2326 13.2872 13.2872 15.9028 15.9028 k = 0.2551 0.1473 0.1041 ( 2328 PWs) bands (ev): -79.0025 -79.0025 -47.8187 -47.8187 -43.3499 -43.3499 -43.3488 -43.3488 -11.6834 -11.6834 1.9625 1.9625 2.1940 2.1940 2.2862 2.2862 3.1288 3.1288 3.1914 3.1914 3.4938 3.4938 4.1729 4.1729 4.2153 4.2153 6.3325 6.3325 13.0916 13.0916 15.8165 15.8165 k = 0.2653 0.1532 0.1083 ( 2334 PWs) bands (ev): -79.0025 -79.0025 -47.8188 -47.8188 -43.3499 -43.3499 -43.3489 -43.3489 -11.6797 -11.6797 1.9188 1.9188 2.1687 2.1687 2.2598 2.2598 3.1383 3.1383 3.1995 3.1995 3.5063 3.5063 4.2049 4.2049 4.2474 4.2474 6.4337 6.4337 12.8984 12.8984 15.7324 15.7324 k = 0.2755 0.1591 0.1125 ( 2334 PWs) bands (ev): -79.0025 -79.0025 -47.8188 -47.8188 -43.3500 -43.3500 -43.3489 -43.3489 -11.6761 -11.6761 1.8766 1.8766 2.1443 2.1443 2.2344 2.2344 3.1479 3.1479 3.2077 3.2077 3.5189 3.5189 4.2362 4.2362 4.2786 4.2786 6.5361 6.5361 12.7075 12.7075 15.6507 15.6507 k = 0.2857 0.1650 0.1166 ( 2334 PWs) bands (ev): -79.0025 -79.0025 -47.8188 -47.8188 -43.3501 -43.3501 -43.3489 -43.3489 -11.6725 -11.6725 1.8358 1.8358 2.1208 2.1208 2.2100 2.2100 3.1576 3.1576 3.2159 3.2159 3.5314 3.5314 4.2665 4.2665 4.3089 4.3089 6.6397 6.6397 12.5190 12.5190 15.5716 15.5716 k = 0.2959 0.1708 0.1208 ( 2334 PWs) bands (ev): -79.0025 -79.0025 -47.8189 -47.8189 -43.3502 -43.3502 -43.3489 -43.3489 -11.6690 -11.6690 1.7964 1.7964 2.0982 2.0982 2.1865 2.1865 3.1672 3.1672 3.2240 3.2240 3.5439 3.5439 4.2958 4.2958 4.3380 4.3380 6.7445 6.7445 12.3330 12.3330 15.4953 15.4953 k = 0.3061 0.1767 0.1250 ( 2337 PWs) bands (ev): -79.0025 -79.0025 -47.8189 -47.8189 -43.3503 -43.3503 -43.3489 -43.3489 -11.6655 -11.6655 1.7586 1.7586 2.0765 2.0765 2.1641 2.1641 3.1768 3.1768 3.2320 3.2320 3.5563 3.5563 4.3240 4.3240 4.3661 4.3661 6.8506 6.8506 12.1494 12.1494 15.4217 15.4217 k = 0.3163 0.1826 0.1291 ( 2331 PWs) bands (ev): -79.0025 -79.0025 -47.8189 -47.8189 -43.3503 -43.3503 -43.3489 -43.3489 -11.6621 -11.6621 1.7225 1.7225 2.0559 2.0559 2.1428 2.1428 3.1862 3.1862 3.2399 3.2399 3.5685 3.5685 4.3513 4.3513 4.3932 4.3932 6.9578 6.9578 11.9684 11.9684 15.3512 15.3512 k = 0.3265 0.1885 0.1333 ( 2331 PWs) bands (ev): -79.0025 -79.0025 -47.8189 -47.8189 -43.3504 -43.3504 -43.3490 -43.3490 -11.6588 -11.6588 1.6880 1.6880 2.0362 2.0362 2.1225 2.1225 3.1954 3.1954 3.2476 3.2476 3.5805 3.5805 4.3772 4.3772 4.4190 4.4190 7.0663 7.0663 11.7899 11.7899 15.2837 15.2837 k = 0.3367 0.1944 0.1375 ( 2331 PWs) bands (ev): -79.0025 -79.0025 -47.8190 -47.8190 -43.3505 -43.3505 -43.3490 -43.3490 -11.6556 -11.6556 1.6553 1.6553 2.0175 2.0175 2.1033 2.1033 3.2044 3.2044 3.2551 3.2551 3.5922 3.5922 4.4020 4.4020 4.4435 4.4435 7.1761 7.1761 11.6139 11.6139 15.2194 15.2194 k = 0.3469 0.2003 0.1416 ( 2331 PWs) bands (ev): -79.0025 -79.0025 -47.8190 -47.8190 -43.3506 -43.3506 -43.3490 -43.3490 -11.6525 -11.6525 1.6243 1.6243 1.9998 1.9998 2.0851 2.0851 3.2131 3.2131 3.2623 3.2623 3.6036 3.6036 4.4256 4.4256 4.4669 4.4669 7.2871 7.2871 11.4405 11.4405 15.1585 15.1585 k = 0.3571 0.2062 0.1458 ( 2331 PWs) bands (ev): -79.0025 -79.0025 -47.8190 -47.8190 -43.3506 -43.3506 -43.3490 -43.3490 -11.6495 -11.6495 1.5951 1.5951 1.9832 1.9832 2.0680 2.0680 3.2215 3.2215 3.2692 3.2692 3.6147 3.6147 4.4478 4.4478 4.4889 4.4889 7.3995 7.3995 11.2696 11.2696 15.1009 15.1009 k = 0.3673 0.2121 0.1500 ( 2337 PWs) bands (ev): -79.0025 -79.0025 -47.8190 -47.8190 -43.3507 -43.3507 -43.3490 -43.3490 -11.6467 -11.6467 1.5678 1.5678 1.9676 1.9676 2.0521 2.0521 3.2294 3.2294 3.2757 3.2757 3.6252 3.6252 4.4687 4.4687 4.5096 4.5096 7.5132 7.5132 11.1013 11.1013 15.0469 15.0469 k = 0.3776 0.2180 0.1541 ( 2340 PWs) bands (ev): -79.0025 -79.0025 -47.8191 -47.8191 -43.3507 -43.3507 -43.3490 -43.3490 -11.6441 -11.6441 1.5423 1.5423 1.9532 1.9532 2.0373 2.0373 3.2369 3.2369 3.2820 3.2820 3.6352 3.6352 4.4882 4.4882 4.5289 4.5289 7.6283 7.6283 10.9355 10.9355 14.9965 14.9965 k = 0.3878 0.2239 0.1583 ( 2340 PWs) bands (ev): -79.0025 -79.0025 -47.8191 -47.8191 -43.3508 -43.3508 -43.3490 -43.3490 -11.6416 -11.6416 1.5188 1.5188 1.9399 1.9399 2.0236 2.0236 3.2441 3.2441 3.2879 3.2879 3.6447 3.6447 4.5064 4.5064 4.5469 4.5469 7.7448 7.7448 10.7722 10.7722 14.9498 14.9498 k = 0.3980 0.2298 0.1625 ( 2334 PWs) bands (ev): -79.0025 -79.0025 -47.8191 -47.8191 -43.3508 -43.3508 -43.3491 -43.3491 -11.6393 -11.6393 1.4973 1.4973 1.9277 1.9277 2.0112 2.0112 3.2507 3.2507 3.2934 3.2934 3.6536 3.6536 4.5231 4.5231 4.5633 4.5633 7.8628 7.8628 10.6114 10.6114 14.9069 14.9069 k = 0.4082 0.2357 0.1666 ( 2334 PWs) bands (ev): -79.0025 -79.0025 -47.8191 -47.8191 -43.3509 -43.3509 -43.3491 -43.3491 -11.6372 -11.6372 1.4777 1.4777 1.9166 1.9166 1.9998 1.9998 3.2568 3.2568 3.2984 3.2984 3.6618 3.6618 4.5383 4.5383 4.5784 4.5784 7.9822 7.9822 10.4531 10.4531 14.8679 14.8679 k = 0.4184 0.2415 0.1708 ( 2340 PWs) bands (ev): -79.0025 -79.0025 -47.8191 -47.8191 -43.3509 -43.3509 -43.3491 -43.3491 -11.6353 -11.6353 1.4601 1.4601 1.9066 1.9066 1.9896 1.9896 3.2624 3.2624 3.3030 3.3030 3.6692 3.6692 4.5518 4.5518 4.5917 4.5917 8.1033 8.1033 10.2973 10.2973 14.8327 14.8327 k = 0.4286 0.2474 0.1750 ( 2340 PWs) bands (ev): -79.0025 -79.0025 -47.8192 -47.8192 -43.3510 -43.3510 -43.3491 -43.3491 -11.6336 -11.6336 1.4445 1.4445 1.8978 1.8978 1.9806 1.9806 3.2673 3.2673 3.3070 3.3070 3.6759 3.6759 4.5640 4.5640 4.6037 4.6037 8.2259 8.2259 10.1439 10.1439 14.8016 14.8016 k = 0.4388 0.2533 0.1791 ( 2340 PWs) bands (ev): -79.0025 -79.0025 -47.8192 -47.8192 -43.3510 -43.3510 -43.3491 -43.3491 -11.6321 -11.6321 1.4310 1.4310 1.8902 1.8902 1.9728 1.9728 3.2717 3.2717 3.3106 3.3106 3.6818 3.6818 4.5746 4.5746 4.6142 4.6142 8.3503 8.3503 9.9928 9.9928 14.7745 14.7745 k = 0.4490 0.2592 0.1833 ( 2340 PWs) bands (ev): -79.0025 -79.0025 -47.8192 -47.8192 -43.3510 -43.3510 -43.3491 -43.3491 -11.6308 -11.6308 1.4197 1.4197 1.8837 1.8837 1.9661 1.9661 3.2754 3.2754 3.3136 3.3136 3.6869 3.6869 4.5836 4.5836 4.6231 4.6231 8.4763 8.4763 9.8442 9.8442 14.7515 14.7515 k = 0.4592 0.2651 0.1875 ( 2343 PWs) bands (ev): -79.0025 -79.0025 -47.8192 -47.8192 -43.3511 -43.3511 -43.3491 -43.3491 -11.6297 -11.6297 1.4102 1.4102 1.8783 1.8783 1.9607 1.9607 3.2784 3.2784 3.3161 3.3161 3.6911 3.6911 4.5909 4.5909 4.6303 4.6303 8.6042 8.6042 9.6978 9.6978 14.7326 14.7326 k = 0.4694 0.2710 0.1916 ( 2344 PWs) bands (ev): -79.0025 -79.0025 -47.8192 -47.8192 -43.3511 -43.3511 -43.3491 -43.3491 -11.6289 -11.6289 1.4029 1.4029 1.8742 1.8742 1.9565 1.9565 3.2808 3.2808 3.3181 3.3181 3.6943 3.6943 4.5967 4.5967 4.6360 4.6360 8.7338 8.7338 9.5537 9.5537 14.7179 14.7179 k = 0.4796 0.2769 0.1958 ( 2332 PWs) bands (ev): -79.0025 -79.0025 -47.8192 -47.8192 -43.3511 -43.3511 -43.3491 -43.3491 -11.6283 -11.6283 1.3977 1.3977 1.8713 1.8713 1.9535 1.9535 3.2826 3.2826 3.3196 3.3196 3.6967 3.6967 4.6010 4.6010 4.6402 4.6402 8.8654 8.8654 9.4118 9.4118 14.7073 14.7073 k = 0.4898 0.2828 0.2000 ( 2332 PWs) bands (ev): -79.0025 -79.0025 -47.8192 -47.8192 -43.3511 -43.3511 -43.3491 -43.3491 -11.6279 -11.6279 1.3945 1.3945 1.8695 1.8695 1.9517 1.9517 3.2837 3.2837 3.3205 3.3205 3.6981 3.6981 4.6034 4.6034 4.6426 4.6426 8.9989 8.9989 9.2722 9.2722 14.7010 14.7010 k = 0.5000 0.2887 0.2041 ( 2332 PWs) bands (ev): -79.0025 -79.0025 -47.8192 -47.8192 -43.3511 -43.3511 -43.3491 -43.3491 -11.6278 -11.6278 1.3935 1.3935 1.8689 1.8689 1.9511 1.9511 3.2840 3.2840 3.3208 3.3208 3.6986 3.6986 4.6043 4.6043 4.6434 4.6434 9.1303 9.1303 9.1387 9.1387 14.6989 14.6989 k = 0.5000 0.2887 0.2041 ( 2332 PWs) bands (ev): -79.0025 -79.0025 -47.8192 -47.8192 -43.3511 -43.3511 -43.3491 -43.3491 -11.6278 -11.6278 1.3935 1.3935 1.8689 1.8689 1.9511 1.9511 3.2840 3.2840 3.3208 3.3208 3.6986 3.6986 4.6043 4.6043 4.6434 4.6434 9.1303 9.1303 9.1387 9.1387 14.6989 14.6989 k = 0.5036 0.2784 0.2100 ( 2337 PWs) bands (ev): -79.0025 -79.0025 -47.8192 -47.8192 -43.3511 -43.3511 -43.3491 -43.3491 -11.6278 -11.6278 1.3943 1.3943 1.8693 1.8693 1.9514 1.9514 3.2838 3.2838 3.3206 3.3206 3.6984 3.6984 4.6030 4.6030 4.6423 4.6423 9.1300 9.1300 9.1418 9.1418 14.6946 14.6946 k = 0.5071 0.2681 0.2158 ( 2343 PWs) bands (ev): -79.0025 -79.0025 -47.8192 -47.8192 -43.3511 -43.3511 -43.3491 -43.3491 -11.6278 -11.6278 1.3969 1.3969 1.8703 1.8703 1.9524 1.9524 3.2833 3.2833 3.3203 3.3203 3.6980 3.6980 4.5991 4.5991 4.6390 4.6390 9.1294 9.1294 9.1510 9.1510 14.6810 14.6810 k = 0.5107 0.2577 0.2216 ( 2347 PWs) bands (ev): -79.0025 -79.0025 -47.8192 -47.8192 -43.3511 -43.3511 -43.3491 -43.3491 -11.6277 -11.6277 1.4013 1.4013 1.8720 1.8720 1.9541 1.9541 3.2824 3.2824 3.3197 3.3197 3.6972 3.6972 4.5922 4.5922 4.6340 4.6340 9.1282 9.1282 9.1662 9.1662 14.6566 14.6566 k = 0.5143 0.2474 0.2275 ( 2343 PWs) bands (ev): -79.0025 -79.0025 -47.8192 -47.8192 -43.3511 -43.3511 -43.3491 -43.3491 -11.6276 -11.6276 1.4073 1.4073 1.8744 1.8744 1.9565 1.9565 3.2813 3.2813 3.3191 3.3191 3.6963 3.6963 4.5820 4.5820 4.6281 4.6281 9.1267 9.1267 9.1874 9.1874 14.6193 14.6193 k = 0.5179 0.2371 0.2333 ( 2337 PWs) bands (ev): -79.0025 -79.0025 -47.8192 -47.8192 -43.3511 -43.3511 -43.3492 -43.3492 -11.6274 -11.6274 1.4150 1.4150 1.8775 1.8775 1.9596 1.9596 3.2798 3.2798 3.3183 3.3183 3.6951 3.6951 4.5681 4.5681 4.6215 4.6215 9.1247 9.1247 9.2144 9.2144 14.5673 14.5673 k = 0.5214 0.2268 0.2391 ( 2333 PWs) bands (ev): -79.0025 -79.0025 -47.8192 -47.8192 -43.3511 -43.3511 -43.3492 -43.3492 -11.6272 -11.6272 1.4244 1.4244 1.8813 1.8813 1.9633 1.9633 3.2778 3.2778 3.3175 3.3175 3.6936 3.6936 4.5504 4.5504 4.6144 4.6144 9.1223 9.1223 9.2471 9.2471 14.5005 14.5005 k = 0.5250 0.2165 0.2449 ( 2335 PWs) bands (ev): -79.0025 -79.0025 -47.8192 -47.8192 -43.3511 -43.3511 -43.3492 -43.3492 -11.6270 -11.6270 1.4354 1.4354 1.8857 1.8857 1.9677 1.9677 3.2754 3.2754 3.3166 3.3166 3.6919 3.6919 4.5291 4.5291 4.6068 4.6068 9.1194 9.1194 9.2853 9.2853 14.4200 14.4200 k = 0.5286 0.2062 0.2508 ( 2335 PWs) bands (ev): -79.0025 -79.0025 -47.8192 -47.8192 -43.3511 -43.3511 -43.3492 -43.3492 -11.6268 -11.6268 1.4480 1.4480 1.8909 1.8909 1.9727 1.9727 3.2725 3.2725 3.3156 3.3156 3.6899 3.6899 4.5045 4.5045 4.5987 4.5987 9.1162 9.1162 9.3288 9.3288 14.3280 14.3280 k = 0.5321 0.1959 0.2566 ( 2333 PWs) bands (ev): -79.0025 -79.0025 -47.8192 -47.8192 -43.3511 -43.3511 -43.3493 -43.3493 -11.6265 -11.6265 1.4621 1.4621 1.8967 1.8967 1.9784 1.9784 3.2690 3.2690 3.3147 3.3147 3.6878 3.6878 4.4770 4.4770 4.5899 4.5899 9.1125 9.1125 9.3774 9.3774 14.2266 14.2266 k = 0.5357 0.1856 0.2624 ( 2330 PWs) bands (ev): -79.0025 -79.0025 -47.8192 -47.8192 -43.3511 -43.3511 -43.3493 -43.3493 -11.6262 -11.6262 1.4777 1.4777 1.9031 1.9031 1.9847 1.9847 3.2651 3.2651 3.3138 3.3138 3.6854 3.6854 4.4468 4.4468 4.5804 4.5804 9.1085 9.1085 9.4308 9.4308 14.1180 14.1180 k = 0.5393 0.1753 0.2683 ( 2336 PWs) bands (ev): -79.0025 -79.0025 -47.8192 -47.8192 -43.3511 -43.3511 -43.3493 -43.3493 -11.6259 -11.6259 1.4946 1.4946 1.9102 1.9102 1.9916 1.9916 3.2605 3.2605 3.3130 3.3130 3.6829 3.6829 4.4143 4.4143 4.5702 4.5702 9.1041 9.1041 9.4888 9.4888 14.0037 14.0037 k = 0.5429 0.1650 0.2741 ( 2337 PWs) bands (ev): -79.0025 -79.0025 -47.8193 -47.8193 -43.3511 -43.3511 -43.3494 -43.3494 -11.6255 -11.6255 1.5128 1.5128 1.9180 1.9180 1.9992 1.9992 3.2555 3.2555 3.3122 3.3122 3.6802 3.6802 4.3797 4.3797 4.5593 4.5593 9.0993 9.0993 9.5512 9.5512 13.8852 13.8852 k = 0.5464 0.1546 0.2799 ( 2341 PWs) bands (ev): -79.0025 -79.0025 -47.8193 -47.8193 -43.3511 -43.3511 -43.3494 -43.3494 -11.6252 -11.6252 1.5322 1.5322 1.9264 1.9264 2.0073 2.0073 3.2498 3.2498 3.3114 3.3114 3.6774 3.6774 4.3434 4.3434 4.5475 4.5475 9.0941 9.0941 9.6176 9.6176 13.7637 13.7637 k = 0.5500 0.1443 0.2858 ( 2337 PWs) bands (ev): -79.0025 -79.0025 -47.8193 -47.8193 -43.3511 -43.3511 -43.3494 -43.3494 -11.6248 -11.6248 1.5528 1.5528 1.9355 1.9355 2.0162 2.0162 3.2437 3.2437 3.3107 3.3107 3.6745 3.6745 4.3058 4.3058 4.5350 4.5350 9.0887 9.0887 9.6879 9.6879 13.6402 13.6402 k = 0.5536 0.1340 0.2916 ( 2337 PWs) bands (ev): -79.0025 -79.0025 -47.8193 -47.8193 -43.3511 -43.3511 -43.3495 -43.3495 -11.6244 -11.6244 1.5744 1.5744 1.9452 1.9452 2.0256 2.0256 3.2371 3.2371 3.3100 3.3100 3.6716 3.6716 4.2669 4.2669 4.5217 4.5217 9.0828 9.0828 9.7619 9.7619 13.5155 13.5155 k = 0.5571 0.1237 0.2974 ( 2335 PWs) bands (ev): -79.0025 -79.0025 -47.8193 -47.8193 -43.3510 -43.3510 -43.3495 -43.3495 -11.6240 -11.6240 1.5969 1.5969 1.9556 1.9556 2.0356 2.0356 3.2299 3.2299 3.3094 3.3094 3.6686 3.6686 4.2272 4.2272 4.5076 4.5076 9.0767 9.0767 9.8391 9.8391 13.3902 13.3902 k = 0.5607 0.1134 0.3033 ( 2329 PWs) bands (ev): -79.0024 -79.0024 -47.8193 -47.8193 -43.3510 -43.3510 -43.3496 -43.3496 -11.6235 -11.6235 1.6202 1.6202 1.9665 1.9665 2.0462 2.0462 3.2224 3.2224 3.3087 3.3087 3.6656 3.6656 4.1869 4.1869 4.4929 4.4929 9.0701 9.0701 9.9196 9.9196 13.2651 13.2651 k = 0.5643 0.1031 0.3091 ( 2329 PWs) bands (ev): -79.0024 -79.0024 -47.8193 -47.8193 -43.3510 -43.3510 -43.3496 -43.3496 -11.6231 -11.6231 1.6440 1.6440 1.9781 1.9781 2.0573 2.0573 3.2142 3.2142 3.3080 3.3080 3.6626 3.6626 4.1463 4.1463 4.4774 4.4774 9.0633 9.0633 10.0028 10.0028 13.1405 13.1405 k = 0.5679 0.0928 0.3149 ( 2327 PWs) bands (ev): -79.0024 -79.0024 -47.8193 -47.8193 -43.3510 -43.3510 -43.3496 -43.3496 -11.6227 -11.6227 1.6685 1.6685 1.9903 1.9903 2.0689 2.0689 3.2056 3.2056 3.3073 3.3073 3.6596 3.6596 4.1057 4.1057 4.4612 4.4612 9.0560 9.0560 10.0888 10.0888 13.0171 13.0171 k = 0.5714 0.0825 0.3208 ( 2329 PWs) bands (ev): -79.0024 -79.0024 -47.8193 -47.8193 -43.3510 -43.3510 -43.3497 -43.3497 -11.6223 -11.6223 1.6933 1.6933 2.0029 2.0029 2.0811 2.0811 3.1965 3.1965 3.3064 3.3064 3.6567 3.6567 4.0653 4.0653 4.4443 4.4443 9.0484 9.0484 10.1771 10.1771 12.8953 12.8953 k = 0.5750 0.0722 0.3266 ( 2327 PWs) bands (ev): -79.0024 -79.0024 -47.8193 -47.8193 -43.3510 -43.3510 -43.3497 -43.3497 -11.6218 -11.6218 1.7184 1.7184 2.0162 2.0162 2.0937 2.0937 3.1870 3.1870 3.3054 3.3054 3.6539 3.6539 4.0255 4.0255 4.4268 4.4268 9.0403 9.0403 10.2676 10.2676 12.7755 12.7755 k = 0.5786 0.0619 0.3324 ( 2323 PWs) bands (ev): -79.0024 -79.0024 -47.8194 -47.8194 -43.3510 -43.3510 -43.3498 -43.3498 -11.6214 -11.6214 1.7435 1.7435 2.0299 2.0299 2.1067 2.1067 3.1770 3.1770 3.3044 3.3044 3.6513 3.6513 3.9866 3.9866 4.4088 4.4088 9.0318 9.0318 10.3600 10.3600 12.6581 12.6581 k = 0.5821 0.0515 0.3383 ( 2331 PWs) bands (ev): -79.0024 -79.0024 -47.8194 -47.8194 -43.3510 -43.3510 -43.3498 -43.3498 -11.6210 -11.6210 1.7686 1.7686 2.0440 2.0440 2.1200 2.1200 3.1665 3.1665 3.3031 3.3031 3.6486 3.6486 3.9487 3.9487 4.3900 4.3900 9.0228 9.0228 10.4540 10.4540 12.5434 12.5434 k = 0.5857 0.0412 0.3441 ( 2329 PWs) bands (ev): -79.0024 -79.0024 -47.8194 -47.8194 -43.3510 -43.3510 -43.3499 -43.3499 -11.6207 -11.6207 1.7937 1.7937 2.0584 2.0584 2.1336 2.1336 3.1558 3.1558 3.3016 3.3016 3.6462 3.6462 3.9124 3.9124 4.3707 4.3707 9.0132 9.0132 10.5495 10.5495 12.4321 12.4321 k = 0.5893 0.0309 0.3499 ( 2327 PWs) bands (ev): -79.0024 -79.0024 -47.8194 -47.8194 -43.3510 -43.3510 -43.3499 -43.3499 -11.6203 -11.6203 1.8184 1.8184 2.0733 2.0733 2.1474 2.1474 3.1447 3.1447 3.3000 3.3000 3.6440 3.6440 3.8777 3.8777 4.3509 4.3509 9.0029 9.0029 10.6460 10.6460 12.3244 12.3244 k = 0.5929 0.0206 0.3558 ( 2323 PWs) bands (ev): -79.0024 -79.0024 -47.8194 -47.8194 -43.3510 -43.3510 -43.3499 -43.3499 -11.6200 -11.6200 1.8429 1.8429 2.0883 2.0883 2.1611 2.1611 3.1334 3.1334 3.2981 3.2981 3.6420 3.6420 3.8450 3.8450 4.3306 4.3306 8.9919 8.9919 10.7432 10.7432 12.2210 12.2210 k = 0.5964 0.0103 0.3616 ( 2317 PWs) bands (ev): -79.0024 -79.0024 -47.8194 -47.8194 -43.3510 -43.3510 -43.3500 -43.3500 -11.6196 -11.6196 1.8669 1.8669 2.1035 2.1035 2.1747 2.1747 3.1218 3.1218 3.2960 3.2960 3.6401 3.6401 3.8146 3.8146 4.3099 4.3099 8.9801 8.9801 10.8407 10.8407 12.1225 12.1225 k = 0.6000 0.0000 0.3674 ( 2323 PWs) bands (ev): -79.0024 -79.0024 -47.8194 -47.8194 -43.3510 -43.3510 -43.3500 -43.3500 -11.6194 -11.6194 1.8905 1.8905 2.1187 2.1187 2.1879 2.1879 3.1102 3.1102 3.2936 3.2936 3.6383 3.6383 3.7865 3.7865 4.2886 4.2886 8.9673 8.9673 10.9375 10.9375 12.0297 12.0298 k = 0.6036-0.0103 0.3733 ( 2319 PWs) bands (ev): -79.0024 -79.0024 -47.8194 -47.8194 -43.3510 -43.3510 -43.3500 -43.3500 -11.6191 -11.6191 1.9137 1.9137 2.1338 2.1338 2.2005 2.2005 3.0986 3.0986 3.2910 3.2910 3.6367 3.6367 3.7611 3.7611 4.2670 4.2670 8.9534 8.9534 11.0328 11.0328 11.9441 11.9441 k = 0.6071-0.0206 0.3791 ( 2319 PWs) bands (ev): -79.0024 -79.0024 -47.8194 -47.8194 -43.3510 -43.3510 -43.3500 -43.3500 -11.6190 -11.6190 1.9364 1.9364 2.1486 2.1486 2.2123 2.2123 3.0873 3.0873 3.2882 3.2882 3.6352 3.6352 3.7386 3.7386 4.2450 4.2450 8.9382 8.9382 11.1245 11.1245 11.8676 11.8676 k = 0.6107-0.0309 0.3849 ( 2319 PWs) bands (ev): -79.0024 -79.0024 -47.8194 -47.8194 -43.3510 -43.3510 -43.3501 -43.3501 -11.6188 -11.6188 1.9587 1.9587 2.1629 2.1629 2.2232 2.2232 3.0763 3.0763 3.2853 3.2853 3.6336 3.6336 3.7192 3.7192 4.2227 4.2227 8.9216 8.9216 11.2092 11.2092 11.8041 11.8041 k = 0.6143-0.0412 0.3908 ( 2322 PWs) bands (ev): -79.0024 -79.0024 -47.8195 -47.8195 -43.3510 -43.3510 -43.3501 -43.3501 -11.6187 -11.6187 1.9805 1.9805 2.1762 2.1762 2.2333 2.2333 3.0658 3.0658 3.2823 3.2823 3.6319 3.6319 3.7028 3.7028 4.2002 4.2002 8.9034 8.9034 11.2799 11.2799 11.7606 11.7606 k = 0.6179-0.0515 0.3966 ( 2323 PWs) bands (ev): -79.0024 -79.0024 -47.8195 -47.8195 -43.3510 -43.3510 -43.3501 -43.3501 -11.6187 -11.6187 2.0020 2.0020 2.1880 2.1880 2.2429 2.2429 3.0560 3.0560 3.2794 3.2794 3.6299 3.6299 3.6897 3.6897 4.1774 4.1774 8.8834 8.8834 11.3260 11.3260 11.7480 11.7480 k = 0.6214-0.0619 0.4024 ( 2325 PWs) bands (ev): -79.0024 -79.0024 -47.8195 -47.8195 -43.3510 -43.3510 -43.3501 -43.3501 -11.6187 -11.6187 2.0231 2.0231 2.1972 2.1972 2.2527 2.2527 3.0471 3.0471 3.2766 3.2766 3.6273 3.6273 3.6799 3.6799 4.1545 4.1545 8.8614 8.8614 11.3396 11.3396 11.7745 11.7745 k = 0.6250-0.0722 0.4082 ( 2329 PWs) bands (ev): -79.0024 -79.0024 -47.8195 -47.8195 -43.3511 -43.3511 -43.3501 -43.3501 -11.6188 -11.6188 2.0438 2.0438 2.2029 2.2029 2.2634 2.2634 3.0391 3.0391 3.2741 3.2741 3.6242 3.6242 3.6734 3.6734 4.1314 4.1314 8.8373 8.8373 11.3266 11.3266 11.8344 11.8344 k = 0.6250-0.0722 0.4082 ( 2329 PWs) bands (ev): -79.0024 -79.0024 -47.8195 -47.8195 -43.3511 -43.3511 -43.3501 -43.3501 -11.6188 -11.6188 2.0438 2.0438 2.2029 2.2029 2.2634 2.2634 3.0391 3.0391 3.2741 3.2741 3.6242 3.6242 3.6734 3.6734 4.1314 4.1314 8.8373 8.8373 11.3266 11.3266 11.8344 11.8344 k = 0.6188-0.0686 0.4185 ( 2326 PWs) bands (ev): -79.0024 -79.0024 -47.8195 -47.8195 -43.3510 -43.3510 -43.3501 -43.3501 -11.6188 -11.6188 2.0434 2.0434 2.2034 2.2034 2.2636 2.2636 3.0394 3.0394 3.2743 3.2743 3.6240 3.6240 3.6726 3.6726 4.1316 4.1316 8.8381 8.8381 11.3277 11.3277 11.8355 11.8355 k = 0.6125-0.0650 0.4287 ( 2324 PWs) bands (ev): -79.0024 -79.0024 -47.8195 -47.8195 -43.3510 -43.3510 -43.3501 -43.3501 -11.6187 -11.6187 2.0421 2.0421 2.2047 2.2047 2.2642 2.2642 3.0403 3.0403 3.2747 3.2747 3.6233 3.6233 3.6702 3.6702 4.1321 4.1321 8.8405 8.8405 11.3313 11.3313 11.8388 11.8388 k = 0.6062-0.0613 0.4389 ( 2324 PWs) bands (ev): -79.0024 -79.0024 -47.8195 -47.8195 -43.3510 -43.3510 -43.3501 -43.3501 -11.6187 -11.6187 2.0400 2.0400 2.2069 2.2069 2.2653 2.2653 3.0416 3.0416 3.2753 3.2753 3.6221 3.6221 3.6664 3.6664 4.1329 4.1329 8.8446 8.8446 11.3372 11.3372 11.8441 11.8441 k = 0.6000-0.0577 0.4491 ( 2329 PWs) bands (ev): -79.0024 -79.0024 -47.8195 -47.8195 -43.3510 -43.3510 -43.3501 -43.3501 -11.6186 -11.6186 2.0370 2.0370 2.2097 2.2097 2.2667 2.2667 3.0433 3.0433 3.2763 3.2763 3.6202 3.6202 3.6613 3.6613 4.1340 4.1340 8.8501 8.8501 11.3455 11.3455 11.8514 11.8514 k = 0.5938-0.0541 0.4593 ( 2328 PWs) bands (ev): -79.0024 -79.0024 -47.8195 -47.8195 -43.3510 -43.3510 -43.3501 -43.3501 -11.6185 -11.6185 2.0335 2.0335 2.2130 2.2130 2.2686 2.2686 3.0453 3.0453 3.2776 3.2776 3.6176 3.6176 3.6554 3.6554 4.1354 4.1354 8.8570 8.8570 11.3562 11.3562 11.8606 11.8606 k = 0.5875-0.0505 0.4695 ( 2330 PWs) bands (ev): -79.0024 -79.0024 -47.8195 -47.8195 -43.3510 -43.3510 -43.3501 -43.3501 -11.6184 -11.6184 2.0296 2.0296 2.2168 2.2168 2.2709 2.2709 3.0474 3.0474 3.2794 3.2794 3.6138 3.6138 3.6491 3.6491 4.1369 4.1369 8.8652 8.8652 11.3692 11.3692 11.8714 11.8714 k = 0.5813-0.0469 0.4797 ( 2323 PWs) bands (ev): -79.0024 -79.0024 -47.8195 -47.8195 -43.3510 -43.3510 -43.3501 -43.3501 -11.6182 -11.6182 2.0252 2.0252 2.2210 2.2210 2.2737 2.2737 3.0495 3.0495 3.2816 3.2816 3.6087 3.6087 3.6431 3.6431 4.1386 4.1386 8.8745 8.8745 11.3846 11.3846 11.8836 11.8836 k = 0.5750-0.0433 0.4899 ( 2325 PWs) bands (ev): -79.0024 -79.0024 -47.8195 -47.8195 -43.3510 -43.3510 -43.3502 -43.3502 -11.6180 -11.6180 2.0206 2.0206 2.2252 2.2252 2.2769 2.2769 3.0514 3.0514 3.2843 3.2843 3.6019 3.6019 3.6378 3.6378 4.1403 4.1403 8.8847 8.8847 11.4023 11.4023 11.8968 11.8968 k = 0.5687-0.0397 0.5001 ( 2325 PWs) bands (ev): -79.0024 -79.0024 -47.8195 -47.8195 -43.3510 -43.3510 -43.3502 -43.3502 -11.6179 -11.6179 2.0159 2.0159 2.2296 2.2296 2.2804 2.2804 3.0530 3.0530 3.2875 3.2875 3.5936 3.5936 3.6333 3.6333 4.1420 4.1420 8.8957 8.8957 11.4223 11.4223 11.9106 11.9106 k = 0.5625-0.0361 0.5103 ( 2323 PWs) bands (ev): -79.0024 -79.0024 -47.8195 -47.8195 -43.3510 -43.3510 -43.3502 -43.3502 -11.6177 -11.6177 2.0111 2.0111 2.2340 2.2340 2.2841 2.2841 3.0540 3.0540 3.2913 3.2913 3.5842 3.5842 3.6296 3.6296 4.1438 4.1438 8.9071 8.9071 11.4447 11.4447 11.9243 11.9243 k = 0.5563-0.0325 0.5205 ( 2321 PWs) bands (ev): -79.0024 -79.0024 -47.8195 -47.8195 -43.3510 -43.3510 -43.3502 -43.3502 -11.6175 -11.6175 2.0064 2.0064 2.2385 2.2385 2.2879 2.2879 3.0545 3.0545 3.2956 3.2956 3.5743 3.5743 3.6265 3.6265 4.1455 4.1455 8.9189 8.9189 11.4693 11.4693 11.9373 11.9373 k = 0.5500-0.0289 0.5307 ( 2319 PWs) bands (ev): -79.0024 -79.0024 -47.8195 -47.8195 -43.3510 -43.3510 -43.3502 -43.3502 -11.6173 -11.6173 2.0019 2.0019 2.2430 2.2430 2.2916 2.2916 3.0544 3.0544 3.3004 3.3004 3.5641 3.5641 3.6238 3.6238 4.1471 4.1471 8.9307 8.9307 11.4962 11.4962 11.9485 11.9485 k = 0.5437-0.0253 0.5409 ( 2319 PWs) bands (ev): -79.0024 -79.0024 -47.8195 -47.8195 -43.3510 -43.3510 -43.3502 -43.3502 -11.6171 -11.6171 1.9977 1.9977 2.2475 2.2475 2.2949 2.2949 3.0536 3.0536 3.3055 3.3055 3.5542 3.5542 3.6215 3.6215 4.1486 4.1486 8.9423 8.9423 11.5253 11.5253 11.9570 11.9570 k = 0.5375-0.0217 0.5511 ( 2317 PWs) bands (ev): -79.0024 -79.0024 -47.8195 -47.8195 -43.3510 -43.3510 -43.3502 -43.3502 -11.6169 -11.6169 1.9938 1.9938 2.2521 2.2521 2.2977 2.2977 3.0523 3.0523 3.3107 3.3107 3.5450 3.5450 3.6194 3.6194 4.1499 4.1499 8.9533 8.9533 11.5564 11.5564 11.9613 11.9613 k = 0.5312-0.0180 0.5613 ( 2317 PWs) bands (ev): -79.0024 -79.0024 -47.8195 -47.8195 -43.3510 -43.3510 -43.3503 -43.3503 -11.6168 -11.6168 1.9903 1.9903 2.2567 2.2567 2.2997 2.2997 3.0506 3.0506 3.3159 3.3159 3.5366 3.5366 3.6176 3.6176 4.1511 4.1511 8.9636 8.9636 11.5895 11.5895 11.9602 11.9602 k = 0.5250-0.0144 0.5715 ( 2321 PWs) bands (ev): -79.0024 -79.0024 -47.8195 -47.8195 -43.3510 -43.3510 -43.3503 -43.3503 -11.6166 -11.6166 1.9873 1.9873 2.2614 2.2614 2.3008 2.3008 3.0487 3.0487 3.3207 3.3207 3.5294 3.5294 3.6160 3.6160 4.1519 4.1519 8.9727 8.9727 11.6243 11.6243 11.9525 11.9525 k = 0.5188-0.0108 0.5818 ( 2324 PWs) bands (ev): -79.0024 -79.0024 -47.8195 -47.8195 -43.3509 -43.3509 -43.3503 -43.3503 -11.6165 -11.6165 1.9848 1.9848 2.2662 2.2662 2.3007 2.3007 3.0469 3.0469 3.3249 3.3249 3.5236 3.5236 3.6147 3.6147 4.1527 4.1527 8.9804 8.9804 11.6600 11.6600 11.9377 11.9377 k = 0.5125-0.0072 0.5920 ( 2329 PWs) bands (ev): -79.0024 -79.0024 -47.8195 -47.8195 -43.3509 -43.3509 -43.3503 -43.3503 -11.6164 -11.6164 1.9830 1.9830 2.2708 2.2708 2.2996 2.2996 3.0453 3.0453 3.3281 3.3281 3.5194 3.5194 3.6137 3.6137 4.1532 4.1532 8.9864 8.9864 11.6953 11.6953 11.9167 11.9167 k = 0.5062-0.0036 0.6022 ( 2328 PWs) bands (ev): -79.0024 -79.0024 -47.8195 -47.8195 -43.3509 -43.3509 -43.3503 -43.3503 -11.6163 -11.6163 1.9819 1.9819 2.2747 2.2747 2.2978 2.2978 3.0442 3.0442 3.3301 3.3301 3.5169 3.5169 3.6131 3.6131 4.1536 4.1536 8.9902 8.9902 11.7260 11.7260 11.8937 11.8937 k = 0.5000 0.0000 0.6124 ( 2328 PWs) bands (ev): -79.0024 -79.0024 -47.8195 -47.8195 -43.3509 -43.3509 -43.3503 -43.3503 -11.6163 -11.6163 1.9815 1.9815 2.2766 2.2766 2.2967 2.2967 3.0438 3.0438 3.3309 3.3309 3.5161 3.5161 3.6129 3.6129 4.1537 4.1537 8.9916 8.9916 11.7403 11.7403 11.8816 11.8816 k = 0.5000 0.0000 0.6124 ( 2328 PWs) bands (ev): -79.0024 -79.0024 -47.8195 -47.8195 -43.3509 -43.3509 -43.3503 -43.3503 -11.6163 -11.6163 1.9815 1.9815 2.2766 2.2766 2.2967 2.2967 3.0438 3.0438 3.3309 3.3309 3.5161 3.5161 3.6129 3.6129 4.1537 4.1537 8.9916 8.9916 11.7403 11.7403 11.8816 11.8816 k = 0.5000 0.0072 0.6022 ( 2328 PWs) bands (ev): -79.0024 -79.0024 -47.8195 -47.8195 -43.3509 -43.3509 -43.3503 -43.3503 -11.6163 -11.6163 1.9808 1.9808 2.2755 2.2755 2.2956 2.2956 3.0447 3.0447 3.3303 3.3303 3.5177 3.5177 3.6134 3.6134 4.1548 4.1548 8.9918 8.9918 11.7366 11.7366 11.8787 11.8787 k = 0.5000 0.0144 0.5920 ( 2328 PWs) bands (ev): -79.0024 -79.0024 -47.8195 -47.8195 -43.3509 -43.3509 -43.3503 -43.3503 -11.6164 -11.6164 1.9786 1.9786 2.2723 2.2723 2.2921 2.2921 3.0474 3.0474 3.3286 3.3286 3.5225 3.5225 3.6149 3.6149 4.1581 4.1581 8.9923 8.9923 11.7228 11.7228 11.8735 11.8735 k = 0.5000 0.0217 0.5818 ( 2324 PWs) bands (ev): -79.0024 -79.0024 -47.8195 -47.8195 -43.3509 -43.3509 -43.3503 -43.3503 -11.6165 -11.6165 1.9750 1.9750 2.2669 2.2669 2.2866 2.2866 3.0518 3.0518 3.3261 3.3261 3.5303 3.5303 3.6175 3.6175 4.1635 4.1635 8.9933 8.9933 11.6929 11.6929 11.8741 11.8741 k = 0.5000 0.0289 0.5715 ( 2324 PWs) bands (ev): -79.0024 -79.0024 -47.8195 -47.8195 -43.3509 -43.3509 -43.3503 -43.3503 -11.6166 -11.6166 1.9699 1.9699 2.2592 2.2592 2.2794 2.2794 3.0578 3.0578 3.3228 3.3228 3.5405 3.5405 3.6212 3.6212 4.1710 4.1710 8.9946 8.9946 11.6448 11.6448 11.8851 11.8851 k = 0.5000 0.0361 0.5613 ( 2324 PWs) bands (ev): -79.0024 -79.0024 -47.8195 -47.8195 -43.3509 -43.3509 -43.3503 -43.3503 -11.6168 -11.6168 1.9633 1.9633 2.2493 2.2493 2.2708 2.2708 3.0650 3.0650 3.3193 3.3193 3.5528 3.5528 3.6263 3.6263 4.1804 4.1804 8.9963 8.9963 11.5816 11.5816 11.9065 11.9065 k = 0.5000 0.0433 0.5511 ( 2326 PWs) bands (ev): -79.0024 -79.0024 -47.8195 -47.8195 -43.3509 -43.3509 -43.3502 -43.3502 -11.6170 -11.6170 1.9552 1.9552 2.2371 2.2371 2.2612 2.2612 3.0732 3.0732 3.3157 3.3157 3.5662 3.5662 3.6334 3.6334 4.1916 4.1916 8.9984 8.9984 11.5073 11.5073 11.9365 11.9365 k = 0.5000 0.0505 0.5409 ( 2322 PWs) bands (ev): -79.0024 -79.0024 -47.8195 -47.8195 -43.3510 -43.3510 -43.3502 -43.3502 -11.6172 -11.6172 1.9457 1.9457 2.2231 2.2231 2.2506 2.2506 3.0822 3.0822 3.3123 3.3123 3.5797 3.5797 3.6434 3.6434 4.2045 4.2045 9.0008 9.0008 11.4251 11.4251 11.9741 11.9741 k = 0.5000 0.0577 0.5307 ( 2328 PWs) bands (ev): -79.0024 -79.0024 -47.8195 -47.8195 -43.3510 -43.3510 -43.3502 -43.3502 -11.6174 -11.6174 1.9346 1.9346 2.2075 2.2075 2.2393 2.2393 3.0917 3.0917 3.3092 3.3092 3.5919 3.5919 3.6572 3.6572 4.2188 4.2188 9.0036 9.0036 11.3372 11.3372 12.0185 12.0185 k = 0.5000 0.0650 0.5205 ( 2316 PWs) bands (ev): -79.0024 -79.0024 -47.8195 -47.8195 -43.3510 -43.3510 -43.3502 -43.3502 -11.6177 -11.6177 1.9220 1.9220 2.1907 2.1907 2.2274 2.2274 3.1016 3.1016 3.3065 3.3065 3.6022 3.6022 3.6758 3.6758 4.2345 4.2345 9.0067 9.0067 11.2454 11.2454 12.0692 12.0692 k = 0.5000 0.0722 0.5103 ( 2314 PWs) bands (ev): -79.0024 -79.0024 -47.8194 -47.8194 -43.3510 -43.3510 -43.3501 -43.3501 -11.6180 -11.6180 1.9078 1.9078 2.1732 2.1732 2.2149 2.2149 3.1117 3.1117 3.3043 3.3043 3.6103 3.6103 3.6987 3.6987 4.2512 4.2512 9.0101 9.0101 11.1509 11.1509 12.1260 12.1260 k = 0.5000 0.0794 0.5001 ( 2318 PWs) bands (ev): -79.0024 -79.0024 -47.8194 -47.8194 -43.3510 -43.3510 -43.3501 -43.3501 -11.6183 -11.6183 1.8920 1.8920 2.1552 2.1552 2.2019 2.2019 3.1217 3.1217 3.3025 3.3025 3.6168 3.6168 3.7253 3.7253 4.2687 4.2687 9.0139 9.0139 11.0544 11.0544 12.1885 12.1885 k = 0.5000 0.0866 0.4899 ( 2320 PWs) bands (ev): -79.0024 -79.0024 -47.8194 -47.8194 -43.3510 -43.3510 -43.3501 -43.3501 -11.6187 -11.6187 1.8747 1.8747 2.1370 2.1370 2.1886 2.1886 3.1316 3.1316 3.3012 3.3012 3.6223 3.6223 3.7550 3.7550 4.2869 4.2869 9.0179 9.0179 10.9569 10.9569 12.2567 12.2567 k = 0.5000 0.0938 0.4797 ( 2320 PWs) bands (ev): -79.0024 -79.0024 -47.8194 -47.8194 -43.3510 -43.3510 -43.3500 -43.3500 -11.6191 -11.6191 1.8560 1.8560 2.1190 2.1190 2.1751 2.1751 3.1414 3.1414 3.3004 3.3004 3.6272 3.6272 3.7872 3.7872 4.3056 4.3056 9.0222 9.0222 10.8589 10.8589 12.3302 12.3302 k = 0.5000 0.1010 0.4695 ( 2324 PWs) bands (ev): -79.0024 -79.0024 -47.8194 -47.8194 -43.3510 -43.3510 -43.3500 -43.3500 -11.6195 -11.6195 1.8360 1.8360 2.1012 2.1012 2.1614 2.1614 3.1509 3.1509 3.3000 3.3000 3.6316 3.6316 3.8215 3.8215 4.3246 4.3246 9.0268 9.0268 10.7608 10.7608 12.4089 12.4089 k = 0.5000 0.1083 0.4593 ( 2322 PWs) bands (ev): -79.0024 -79.0024 -47.8194 -47.8194 -43.3510 -43.3510 -43.3499 -43.3499 -11.6199 -11.6199 1.8148 1.8148 2.0839 2.0839 2.1478 2.1478 3.1603 3.1603 3.3000 3.3000 3.6358 3.6358 3.8576 3.8576 4.3437 4.3437 9.0315 9.0315 10.6631 10.6631 12.4925 12.4925 k = 0.5000 0.1155 0.4491 ( 2324 PWs) bands (ev): -79.0024 -79.0024 -47.8194 -47.8194 -43.3510 -43.3510 -43.3499 -43.3499 -11.6203 -11.6203 1.7924 1.7924 2.0671 2.0671 2.1342 2.1342 3.1693 3.1693 3.3003 3.3003 3.6397 3.6397 3.8952 3.8952 4.3629 4.3629 9.0365 9.0365 10.5661 10.5661 12.5809 12.5809 k = 0.5000 0.1227 0.4389 ( 2324 PWs) bands (ev): -79.0024 -79.0024 -47.8194 -47.8194 -43.3510 -43.3510 -43.3498 -43.3498 -11.6207 -11.6207 1.7693 1.7693 2.0511 2.0511 2.1209 2.1209 3.1781 3.1781 3.3008 3.3008 3.6434 3.6434 3.9341 3.9341 4.3820 4.3820 9.0417 9.0417 10.4702 10.4702 12.6737 12.6737 k = 0.5000 0.1299 0.4287 ( 2322 PWs) bands (ev): -79.0024 -79.0024 -47.8194 -47.8194 -43.3510 -43.3510 -43.3498 -43.3498 -11.6212 -11.6212 1.7454 1.7454 2.0356 2.0356 2.1077 2.1077 3.1867 3.1867 3.3015 3.3015 3.6471 3.6471 3.9740 3.9740 4.4008 4.4008 9.0470 9.0470 10.3755 10.3755 12.7708 12.7708 k = 0.5000 0.1371 0.4185 ( 2328 PWs) bands (ev): -79.0024 -79.0024 -47.8194 -47.8194 -43.3510 -43.3510 -43.3497 -43.3497 -11.6216 -11.6216 1.7211 1.7211 2.0209 2.0209 2.0949 2.0949 3.1949 3.1949 3.3023 3.3023 3.6507 3.6507 4.0145 4.0145 4.4192 4.4192 9.0524 9.0524 10.2825 10.2825 12.8718 12.8718 k = 0.5000 0.1443 0.4082 ( 2328 PWs) bands (ev): -79.0024 -79.0024 -47.8193 -47.8193 -43.3510 -43.3510 -43.3497 -43.3497 -11.6221 -11.6221 1.6966 1.6966 2.0068 2.0068 2.0824 2.0824 3.2029 3.2029 3.3033 3.3033 3.6542 3.6542 4.0557 4.0557 4.4372 4.4372 9.0578 9.0578 10.1913 10.1913 12.9764 12.9764 k = 0.5000 0.1516 0.3980 ( 2328 PWs) bands (ev): -79.0024 -79.0024 -47.8193 -47.8193 -43.3510 -43.3510 -43.3497 -43.3497 -11.6225 -11.6225 1.6721 1.6721 1.9935 1.9935 2.0703 2.0703 3.2107 3.2107 3.3043 3.3043 3.6576 3.6576 4.0973 4.0973 4.4546 4.4546 9.0633 9.0633 10.1023 10.1023 13.0843 13.0843 k = 0.5000 0.1588 0.3878 ( 2328 PWs) bands (ev): -79.0024 -79.0024 -47.8193 -47.8193 -43.3510 -43.3510 -43.3496 -43.3496 -11.6230 -11.6230 1.6477 1.6477 1.9808 1.9808 2.0587 2.0587 3.2181 3.2181 3.3054 3.3054 3.6610 3.6610 4.1389 4.1389 4.4715 4.4715 9.0689 9.0689 10.0155 10.0155 13.1950 13.1950 k = 0.5000 0.1660 0.3776 ( 2328 PWs) bands (ev): -79.0024 -79.0024 -47.8193 -47.8193 -43.3510 -43.3510 -43.3496 -43.3496 -11.6234 -11.6234 1.6238 1.6238 1.9688 1.9688 2.0476 2.0476 3.2252 3.2252 3.3064 3.3064 3.6643 3.6643 4.1803 4.1803 4.4876 4.4876 9.0743 9.0743 9.9314 9.9314 13.3083 13.3083 k = 0.5000 0.1732 0.3674 ( 2328 PWs) bands (ev): -79.0024 -79.0024 -47.8193 -47.8193 -43.3510 -43.3510 -43.3495 -43.3495 -11.6239 -11.6239 1.6004 1.6004 1.9575 1.9575 2.0370 2.0370 3.2321 3.2321 3.3075 3.3075 3.6676 3.6676 4.2213 4.2213 4.5031 4.5031 9.0797 9.0797 9.8501 9.8501 13.4235 13.4235 k = 0.5000 0.1804 0.3572 ( 2334 PWs) bands (ev): -79.0025 -79.0025 -47.8193 -47.8193 -43.3510 -43.3510 -43.3495 -43.3495 -11.6243 -11.6243 1.5776 1.5776 1.9469 1.9469 2.0269 2.0269 3.2385 3.2385 3.3085 3.3085 3.6708 3.6708 4.2615 4.2615 4.5177 4.5177 9.0850 9.0850 9.7719 9.7719 13.5400 13.5400 k = 0.5000 0.1876 0.3470 ( 2330 PWs) bands (ev): -79.0024 -79.0024 -47.8193 -47.8193 -43.3511 -43.3511 -43.3494 -43.3494 -11.6247 -11.6247 1.5558 1.5558 1.9370 1.9370 2.0174 2.0174 3.2447 3.2447 3.3095 3.3095 3.6739 3.6739 4.3009 4.3009 4.5316 4.5316 9.0902 9.0902 9.6971 9.6971 13.6574 13.6574 k = 0.5000 0.1949 0.3368 ( 2332 PWs) bands (ev): -79.0025 -79.0025 -47.8193 -47.8193 -43.3511 -43.3511 -43.3494 -43.3494 -11.6251 -11.6251 1.5349 1.5349 1.9276 1.9276 2.0085 2.0085 3.2504 3.2504 3.3105 3.3105 3.6769 3.6769 4.3391 4.3391 4.5447 4.5447 9.0951 9.0951 9.6258 9.6258 13.7748 13.7748 k = 0.5000 0.2021 0.3266 ( 2330 PWs) bands (ev): -79.0024 -79.0024 -47.8193 -47.8193 -43.3511 -43.3511 -43.3494 -43.3494 -11.6255 -11.6255 1.5151 1.5151 1.9190 1.9190 2.0001 2.0001 3.2558 3.2558 3.3115 3.3115 3.6798 3.6798 4.3759 4.3759 4.5569 4.5569 9.0999 9.0999 9.5584 9.5584 13.8913 13.8913 k = 0.5000 0.2093 0.3164 ( 2328 PWs) bands (ev): -79.0024 -79.0024 -47.8192 -47.8192 -43.3511 -43.3511 -43.3493 -43.3493 -11.6258 -11.6258 1.4966 1.4966 1.9111 1.9111 1.9925 1.9925 3.2606 3.2606 3.3125 3.3125 3.6826 3.6826 4.4109 4.4109 4.5684 4.5684 9.1044 9.1044 9.4951 9.4951 14.0059 14.0059 k = 0.5000 0.2165 0.3062 ( 2336 PWs) bands (ev): -79.0025 -79.0025 -47.8192 -47.8192 -43.3511 -43.3511 -43.3493 -43.3493 -11.6262 -11.6262 1.4793 1.4793 1.9038 1.9038 1.9853 1.9853 3.2649 3.2649 3.3134 3.3134 3.6851 3.6851 4.4439 4.4439 4.5789 4.5789 9.1086 9.1086 9.4362 9.4362 14.1174 14.1174 k = 0.5000 0.2237 0.2960 ( 2330 PWs) bands (ev): -79.0025 -79.0025 -47.8192 -47.8192 -43.3511 -43.3511 -43.3493 -43.3493 -11.6265 -11.6265 1.4635 1.4635 1.8972 1.8972 1.9789 1.9789 3.2689 3.2689 3.3145 3.3145 3.6876 3.6876 4.4745 4.4745 4.5888 4.5888 9.1125 9.1125 9.3819 9.3819 14.2242 14.2242 k = 0.5000 0.2309 0.2858 ( 2326 PWs) bands (ev): -79.0024 -79.0024 -47.8192 -47.8192 -43.3511 -43.3511 -43.3492 -43.3492 -11.6267 -11.6267 1.4491 1.4491 1.8914 1.8914 1.9731 1.9731 3.2724 3.2724 3.3155 3.3155 3.6898 3.6898 4.5025 4.5025 4.5979 4.5979 9.1161 9.1161 9.3325 9.3325 14.3246 14.3246 k = 0.5000 0.2382 0.2756 ( 2330 PWs) bands (ev): -79.0025 -79.0025 -47.8192 -47.8192 -43.3511 -43.3511 -43.3492 -43.3492 -11.6270 -11.6270 1.4363 1.4363 1.8861 1.8861 1.9680 1.9680 3.2753 3.2753 3.3165 3.3165 3.6918 3.6918 4.5276 4.5276 4.6062 4.6062 9.1193 9.1193 9.2882 9.2882 14.4163 14.4163 k = 0.5000 0.2454 0.2654 ( 2332 PWs) bands (ev): -79.0025 -79.0025 -47.8192 -47.8192 -43.3511 -43.3511 -43.3492 -43.3492 -11.6272 -11.6272 1.4251 1.4251 1.8816 1.8816 1.9635 1.9635 3.2777 3.2777 3.3174 3.3174 3.6935 3.6935 4.5493 4.5493 4.6140 4.6140 9.1221 9.1221 9.2493 9.2493 14.4972 14.4972 k = 0.5000 0.2526 0.2552 ( 2334 PWs) bands (ev): -79.0025 -79.0025 -47.8192 -47.8192 -43.3511 -43.3511 -43.3492 -43.3492 -11.6274 -11.6274 1.4155 1.4155 1.8777 1.8777 1.9598 1.9598 3.2797 3.2797 3.3183 3.3183 3.6950 3.6950 4.5673 4.5673 4.6212 4.6212 9.1246 9.1246 9.2160 9.2160 14.5648 14.5648 k = 0.5000 0.2598 0.2449 ( 2338 PWs) bands (ev): -79.0025 -79.0025 -47.8192 -47.8192 -43.3511 -43.3511 -43.3491 -43.3491 -11.6276 -11.6276 1.4076 1.4076 1.8745 1.8745 1.9566 1.9566 3.2813 3.2813 3.3191 3.3191 3.6963 3.6963 4.5815 4.5815 4.6279 4.6279 9.1266 9.1266 9.1884 9.1884 14.6176 14.6176 k = 0.5000 0.2670 0.2347 ( 2342 PWs) bands (ev): -79.0025 -79.0025 -47.8192 -47.8192 -43.3511 -43.3511 -43.3491 -43.3491 -11.6277 -11.6277 1.4014 1.4014 1.8721 1.8721 1.9542 1.9542 3.2825 3.2825 3.3198 3.3198 3.6973 3.6973 4.5920 4.5920 4.6339 4.6339 9.1282 9.1282 9.1668 9.1668 14.6557 14.6557 k = 0.5000 0.2742 0.2245 ( 2342 PWs) bands (ev): -79.0025 -79.0025 -47.8192 -47.8192 -43.3511 -43.3511 -43.3491 -43.3491 -11.6278 -11.6278 1.3970 1.3970 1.8703 1.8703 1.9524 1.9524 3.2833 3.2833 3.3203 3.3203 3.6980 3.6980 4.5989 4.5989 4.6389 4.6389 9.1293 9.1293 9.1512 9.1512 14.6806 14.6806 k = 0.5000 0.2815 0.2143 ( 2338 PWs) bands (ev): -79.0025 -79.0025 -47.8192 -47.8192 -43.3511 -43.3511 -43.3491 -43.3491 -11.6278 -11.6278 1.3943 1.3943 1.8693 1.8693 1.9514 1.9514 3.2838 3.2838 3.3206 3.3206 3.6984 3.6984 4.6029 4.6029 4.6422 4.6422 9.1300 9.1300 9.1418 9.1418 14.6945 14.6945 k = 0.5000 0.2887 0.2041 ( 2332 PWs) bands (ev): -79.0025 -79.0025 -47.8192 -47.8192 -43.3511 -43.3511 -43.3491 -43.3491 -11.6278 -11.6278 1.3935 1.3935 1.8689 1.8689 1.9511 1.9511 3.2840 3.2840 3.3208 3.3208 3.6986 3.6986 4.6043 4.6043 4.6434 4.6434 9.1303 9.1303 9.1387 9.1387 14.6989 14.6989 k = 0.5000 0.2887 0.2041 ( 2332 PWs) bands (ev): -79.0025 -79.0025 -47.8192 -47.8192 -43.3511 -43.3511 -43.3491 -43.3491 -11.6278 -11.6278 1.3935 1.3935 1.8689 1.8689 1.9511 1.9511 3.2840 3.2840 3.3208 3.3208 3.6986 3.6986 4.6043 4.6043 4.6434 4.6434 9.1303 9.1303 9.1387 9.1387 14.6989 14.6989 k = 0.4964 0.2866 0.2158 ( 2337 PWs) bands (ev): -79.0025 -79.0025 -47.8192 -47.8192 -43.3511 -43.3511 -43.3491 -43.3491 -11.6278 -11.6278 1.3943 1.3943 1.8693 1.8693 1.9514 1.9514 3.2838 3.2838 3.3206 3.3206 3.6984 3.6984 4.6030 4.6030 4.6423 4.6423 9.1300 9.1300 9.1418 9.1418 14.6946 14.6946 k = 0.4929 0.2846 0.2275 ( 2343 PWs) bands (ev): -79.0025 -79.0025 -47.8192 -47.8192 -43.3511 -43.3511 -43.3491 -43.3491 -11.6278 -11.6278 1.3969 1.3969 1.8703 1.8703 1.9524 1.9524 3.2833 3.2833 3.3203 3.3203 3.6980 3.6980 4.5991 4.5991 4.6390 4.6390 9.1294 9.1294 9.1510 9.1510 14.6810 14.6810 k = 0.4893 0.2825 0.2391 ( 2347 PWs) bands (ev): -79.0025 -79.0025 -47.8192 -47.8192 -43.3511 -43.3511 -43.3491 -43.3491 -11.6277 -11.6277 1.4013 1.4013 1.8720 1.8720 1.9541 1.9541 3.2824 3.2824 3.3197 3.3197 3.6972 3.6972 4.5922 4.5922 4.6340 4.6340 9.1282 9.1282 9.1662 9.1662 14.6566 14.6566 k = 0.4857 0.2804 0.2508 ( 2343 PWs) bands (ev): -79.0025 -79.0025 -47.8192 -47.8192 -43.3511 -43.3511 -43.3491 -43.3491 -11.6276 -11.6276 1.4073 1.4073 1.8744 1.8744 1.9565 1.9565 3.2813 3.2813 3.3191 3.3191 3.6963 3.6963 4.5820 4.5820 4.6281 4.6281 9.1267 9.1267 9.1874 9.1874 14.6193 14.6193 k = 0.4821 0.2784 0.2624 ( 2337 PWs) bands (ev): -79.0025 -79.0025 -47.8192 -47.8192 -43.3511 -43.3511 -43.3492 -43.3492 -11.6274 -11.6274 1.4150 1.4150 1.8775 1.8775 1.9596 1.9596 3.2798 3.2798 3.3183 3.3183 3.6951 3.6951 4.5681 4.5681 4.6215 4.6215 9.1247 9.1247 9.2144 9.2144 14.5673 14.5673 k = 0.4786 0.2763 0.2741 ( 2333 PWs) bands (ev): -79.0025 -79.0025 -47.8192 -47.8192 -43.3511 -43.3511 -43.3492 -43.3492 -11.6272 -11.6272 1.4244 1.4244 1.8813 1.8813 1.9633 1.9633 3.2778 3.2778 3.3175 3.3175 3.6936 3.6936 4.5504 4.5504 4.6144 4.6144 9.1223 9.1223 9.2471 9.2471 14.5005 14.5005 k = 0.4750 0.2742 0.2858 ( 2335 PWs) bands (ev): -79.0025 -79.0025 -47.8192 -47.8192 -43.3511 -43.3511 -43.3492 -43.3492 -11.6270 -11.6270 1.4354 1.4354 1.8857 1.8857 1.9677 1.9677 3.2754 3.2754 3.3166 3.3166 3.6919 3.6919 4.5291 4.5291 4.6068 4.6068 9.1194 9.1194 9.2853 9.2853 14.4200 14.4200 k = 0.4714 0.2722 0.2974 ( 2335 PWs) bands (ev): -79.0025 -79.0025 -47.8192 -47.8192 -43.3511 -43.3511 -43.3492 -43.3492 -11.6268 -11.6268 1.4480 1.4480 1.8909 1.8909 1.9727 1.9727 3.2725 3.2725 3.3156 3.3156 3.6899 3.6899 4.5045 4.5045 4.5987 4.5987 9.1162 9.1162 9.3288 9.3288 14.3280 14.3280 k = 0.4679 0.2701 0.3091 ( 2333 PWs) bands (ev): -79.0025 -79.0025 -47.8192 -47.8192 -43.3511 -43.3511 -43.3493 -43.3493 -11.6265 -11.6265 1.4621 1.4621 1.8967 1.8967 1.9784 1.9784 3.2690 3.2690 3.3147 3.3147 3.6878 3.6878 4.4770 4.4770 4.5899 4.5899 9.1125 9.1125 9.3774 9.3774 14.2266 14.2266 k = 0.4643 0.2681 0.3208 ( 2330 PWs) bands (ev): -79.0025 -79.0025 -47.8192 -47.8192 -43.3511 -43.3511 -43.3493 -43.3493 -11.6262 -11.6262 1.4777 1.4777 1.9031 1.9031 1.9847 1.9847 3.2651 3.2651 3.3138 3.3138 3.6854 3.6854 4.4468 4.4468 4.5804 4.5804 9.1085 9.1085 9.4308 9.4308 14.1180 14.1180 k = 0.4607 0.2660 0.3324 ( 2336 PWs) bands (ev): -79.0025 -79.0025 -47.8192 -47.8192 -43.3511 -43.3511 -43.3493 -43.3493 -11.6259 -11.6259 1.4946 1.4946 1.9102 1.9102 1.9916 1.9916 3.2605 3.2605 3.3130 3.3130 3.6829 3.6829 4.4143 4.4143 4.5702 4.5702 9.1041 9.1041 9.4888 9.4888 14.0037 14.0037 k = 0.4571 0.2639 0.3441 ( 2337 PWs) bands (ev): -79.0025 -79.0025 -47.8193 -47.8193 -43.3511 -43.3511 -43.3494 -43.3494 -11.6255 -11.6255 1.5128 1.5128 1.9180 1.9180 1.9992 1.9992 3.2555 3.2555 3.3122 3.3122 3.6802 3.6802 4.3797 4.3797 4.5593 4.5593 9.0993 9.0993 9.5512 9.5512 13.8852 13.8852 k = 0.4536 0.2619 0.3558 ( 2341 PWs) bands (ev): -79.0025 -79.0025 -47.8193 -47.8193 -43.3511 -43.3511 -43.3494 -43.3494 -11.6252 -11.6252 1.5322 1.5322 1.9264 1.9264 2.0073 2.0073 3.2498 3.2498 3.3114 3.3114 3.6774 3.6774 4.3434 4.3434 4.5475 4.5475 9.0941 9.0941 9.6176 9.6176 13.7637 13.7637 k = 0.4500 0.2598 0.3674 ( 2337 PWs) bands (ev): -79.0025 -79.0025 -47.8193 -47.8193 -43.3511 -43.3511 -43.3494 -43.3494 -11.6248 -11.6248 1.5528 1.5528 1.9355 1.9355 2.0162 2.0162 3.2437 3.2437 3.3107 3.3107 3.6745 3.6745 4.3058 4.3058 4.5350 4.5350 9.0887 9.0887 9.6879 9.6879 13.6402 13.6402 k = 0.4464 0.2577 0.3791 ( 2337 PWs) bands (ev): -79.0025 -79.0025 -47.8193 -47.8193 -43.3511 -43.3511 -43.3495 -43.3495 -11.6244 -11.6244 1.5744 1.5744 1.9452 1.9452 2.0256 2.0256 3.2371 3.2371 3.3100 3.3100 3.6716 3.6716 4.2669 4.2669 4.5217 4.5217 9.0828 9.0828 9.7619 9.7619 13.5155 13.5155 k = 0.4429 0.2557 0.3908 ( 2335 PWs) bands (ev): -79.0025 -79.0025 -47.8193 -47.8193 -43.3510 -43.3510 -43.3495 -43.3495 -11.6240 -11.6240 1.5969 1.5969 1.9556 1.9556 2.0356 2.0356 3.2299 3.2299 3.3094 3.3094 3.6686 3.6686 4.2272 4.2272 4.5076 4.5076 9.0767 9.0767 9.8391 9.8391 13.3902 13.3902 k = 0.4393 0.2536 0.4024 ( 2329 PWs) bands (ev): -79.0024 -79.0024 -47.8193 -47.8193 -43.3510 -43.3510 -43.3496 -43.3496 -11.6235 -11.6235 1.6202 1.6202 1.9665 1.9665 2.0462 2.0462 3.2224 3.2224 3.3087 3.3087 3.6656 3.6656 4.1869 4.1869 4.4929 4.4929 9.0701 9.0701 9.9196 9.9196 13.2651 13.2651 k = 0.4357 0.2516 0.4141 ( 2329 PWs) bands (ev): -79.0024 -79.0024 -47.8193 -47.8193 -43.3510 -43.3510 -43.3496 -43.3496 -11.6231 -11.6231 1.6440 1.6440 1.9781 1.9781 2.0573 2.0573 3.2142 3.2142 3.3080 3.3080 3.6626 3.6626 4.1463 4.1463 4.4774 4.4774 9.0633 9.0633 10.0028 10.0028 13.1405 13.1405 k = 0.4321 0.2495 0.4257 ( 2327 PWs) bands (ev): -79.0024 -79.0024 -47.8193 -47.8193 -43.3510 -43.3510 -43.3496 -43.3496 -11.6227 -11.6227 1.6685 1.6685 1.9903 1.9903 2.0689 2.0689 3.2056 3.2056 3.3073 3.3073 3.6596 3.6596 4.1057 4.1057 4.4612 4.4612 9.0560 9.0560 10.0888 10.0888 13.0171 13.0171 k = 0.4286 0.2474 0.4374 ( 2329 PWs) bands (ev): -79.0024 -79.0024 -47.8193 -47.8193 -43.3510 -43.3510 -43.3497 -43.3497 -11.6223 -11.6223 1.6933 1.6933 2.0029 2.0029 2.0811 2.0811 3.1965 3.1965 3.3064 3.3064 3.6567 3.6567 4.0653 4.0653 4.4443 4.4443 9.0484 9.0484 10.1771 10.1771 12.8953 12.8953 k = 0.4250 0.2454 0.4491 ( 2327 PWs) bands (ev): -79.0024 -79.0024 -47.8193 -47.8193 -43.3510 -43.3510 -43.3497 -43.3497 -11.6218 -11.6218 1.7184 1.7184 2.0162 2.0162 2.0937 2.0937 3.1870 3.1870 3.3054 3.3054 3.6539 3.6539 4.0255 4.0255 4.4268 4.4268 9.0403 9.0403 10.2676 10.2676 12.7755 12.7755 k = 0.4214 0.2433 0.4607 ( 2323 PWs) bands (ev): -79.0024 -79.0024 -47.8194 -47.8194 -43.3510 -43.3510 -43.3498 -43.3498 -11.6214 -11.6214 1.7435 1.7435 2.0299 2.0299 2.1067 2.1067 3.1770 3.1770 3.3044 3.3044 3.6513 3.6513 3.9866 3.9866 4.4088 4.4088 9.0318 9.0318 10.3600 10.3600 12.6581 12.6581 k = 0.4179 0.2412 0.4724 ( 2331 PWs) bands (ev): -79.0024 -79.0024 -47.8194 -47.8194 -43.3510 -43.3510 -43.3498 -43.3498 -11.6210 -11.6210 1.7686 1.7686 2.0440 2.0440 2.1200 2.1200 3.1665 3.1665 3.3031 3.3031 3.6486 3.6486 3.9487 3.9487 4.3900 4.3900 9.0228 9.0228 10.4540 10.4540 12.5434 12.5434 k = 0.4143 0.2392 0.4841 ( 2329 PWs) bands (ev): -79.0024 -79.0024 -47.8194 -47.8194 -43.3510 -43.3510 -43.3499 -43.3499 -11.6207 -11.6207 1.7937 1.7937 2.0584 2.0584 2.1336 2.1336 3.1558 3.1558 3.3016 3.3016 3.6462 3.6462 3.9124 3.9124 4.3707 4.3707 9.0132 9.0132 10.5495 10.5495 12.4321 12.4321 k = 0.4107 0.2371 0.4957 ( 2327 PWs) bands (ev): -79.0024 -79.0024 -47.8194 -47.8194 -43.3510 -43.3510 -43.3499 -43.3499 -11.6203 -11.6203 1.8184 1.8184 2.0733 2.0733 2.1474 2.1474 3.1447 3.1447 3.3000 3.3000 3.6440 3.6440 3.8777 3.8777 4.3509 4.3509 9.0029 9.0029 10.6460 10.6460 12.3244 12.3244 k = 0.4071 0.2351 0.5074 ( 2323 PWs) bands (ev): -79.0024 -79.0024 -47.8194 -47.8194 -43.3510 -43.3510 -43.3499 -43.3499 -11.6200 -11.6200 1.8429 1.8429 2.0883 2.0883 2.1611 2.1611 3.1334 3.1334 3.2981 3.2981 3.6420 3.6420 3.8450 3.8450 4.3306 4.3306 8.9919 8.9919 10.7432 10.7432 12.2210 12.2210 k = 0.4036 0.2330 0.5191 ( 2317 PWs) bands (ev): -79.0024 -79.0024 -47.8194 -47.8194 -43.3510 -43.3510 -43.3500 -43.3500 -11.6196 -11.6196 1.8669 1.8669 2.1035 2.1035 2.1747 2.1747 3.1218 3.1218 3.2960 3.2960 3.6401 3.6401 3.8146 3.8146 4.3099 4.3099 8.9801 8.9801 10.8407 10.8407 12.1225 12.1225 k = 0.4000 0.2309 0.5307 ( 2323 PWs) bands (ev): -79.0024 -79.0024 -47.8194 -47.8194 -43.3510 -43.3510 -43.3500 -43.3500 -11.6194 -11.6194 1.8905 1.8905 2.1187 2.1187 2.1879 2.1879 3.1102 3.1102 3.2936 3.2936 3.6383 3.6383 3.7865 3.7865 4.2886 4.2886 8.9673 8.9673 10.9375 10.9375 12.0297 12.0298 k = 0.3964 0.2289 0.5424 ( 2319 PWs) bands (ev): -79.0024 -79.0024 -47.8194 -47.8194 -43.3510 -43.3510 -43.3500 -43.3500 -11.6191 -11.6191 1.9137 1.9137 2.1338 2.1338 2.2005 2.2005 3.0986 3.0986 3.2910 3.2910 3.6367 3.6367 3.7611 3.7611 4.2670 4.2670 8.9534 8.9534 11.0328 11.0328 11.9441 11.9441 k = 0.3929 0.2268 0.5541 ( 2319 PWs) bands (ev): -79.0024 -79.0024 -47.8194 -47.8194 -43.3510 -43.3510 -43.3500 -43.3500 -11.6190 -11.6190 1.9364 1.9364 2.1486 2.1486 2.2123 2.2123 3.0873 3.0873 3.2882 3.2882 3.6352 3.6352 3.7386 3.7386 4.2450 4.2450 8.9382 8.9382 11.1245 11.1245 11.8676 11.8676 k = 0.3893 0.2248 0.5657 ( 2319 PWs) bands (ev): -79.0024 -79.0024 -47.8194 -47.8194 -43.3510 -43.3510 -43.3501 -43.3501 -11.6188 -11.6188 1.9587 1.9587 2.1629 2.1629 2.2232 2.2232 3.0763 3.0763 3.2853 3.2853 3.6336 3.6336 3.7192 3.7192 4.2227 4.2227 8.9216 8.9216 11.2092 11.2092 11.8041 11.8041 k = 0.3857 0.2227 0.5774 ( 2322 PWs) bands (ev): -79.0024 -79.0024 -47.8195 -47.8195 -43.3510 -43.3510 -43.3501 -43.3501 -11.6187 -11.6187 1.9805 1.9805 2.1762 2.1762 2.2333 2.2333 3.0658 3.0658 3.2823 3.2823 3.6319 3.6319 3.7028 3.7028 4.2002 4.2002 8.9034 8.9034 11.2799 11.2799 11.7606 11.7606 k = 0.3821 0.2206 0.5890 ( 2323 PWs) bands (ev): -79.0024 -79.0024 -47.8195 -47.8195 -43.3510 -43.3510 -43.3501 -43.3501 -11.6187 -11.6187 2.0020 2.0020 2.1880 2.1880 2.2429 2.2429 3.0560 3.0560 3.2794 3.2794 3.6299 3.6299 3.6897 3.6897 4.1774 4.1774 8.8834 8.8834 11.3260 11.3260 11.7480 11.7480 k = 0.3786 0.2186 0.6007 ( 2325 PWs) bands (ev): -79.0024 -79.0024 -47.8195 -47.8195 -43.3510 -43.3510 -43.3501 -43.3501 -11.6187 -11.6187 2.0231 2.0231 2.1972 2.1972 2.2527 2.2527 3.0471 3.0471 3.2766 3.2766 3.6273 3.6273 3.6799 3.6799 4.1545 4.1545 8.8614 8.8614 11.3396 11.3396 11.7745 11.7745 k = 0.3750 0.2165 0.6124 ( 2329 PWs) bands (ev): -79.0024 -79.0024 -47.8195 -47.8195 -43.3510 -43.3510 -43.3501 -43.3501 -11.6188 -11.6188 2.0438 2.0438 2.2029 2.2029 2.2634 2.2634 3.0391 3.0391 3.2741 3.2741 3.6242 3.6242 3.6734 3.6734 4.1314 4.1314 8.8373 8.8373 11.3266 11.3266 11.8344 11.8344 k = 0.6250-0.0722 0.4082 ( 2329 PWs) bands (ev): -79.0024 -79.0024 -47.8195 -47.8195 -43.3511 -43.3511 -43.3501 -43.3501 -11.6188 -11.6188 2.0438 2.0438 2.2029 2.2029 2.2634 2.2634 3.0391 3.0391 3.2741 3.2741 3.6242 3.6242 3.6734 3.6734 4.1314 4.1314 8.8373 8.8373 11.3266 11.3266 11.8344 11.8344 k = 0.6188-0.0830 0.4082 ( 2327 PWs) bands (ev): -79.0024 -79.0024 -47.8195 -47.8195 -43.3511 -43.3511 -43.3501 -43.3501 -11.6190 -11.6190 2.0804 2.0804 2.2076 2.2076 2.2862 2.2862 3.0260 3.0260 3.2697 3.2697 3.6184 3.6184 3.6644 3.6644 4.0906 4.0906 8.7922 8.7922 11.2886 11.2886 11.9643 11.9643 k = 0.6125-0.0938 0.4082 ( 2328 PWs) bands (ev): -79.0024 -79.0024 -47.8195 -47.8195 -43.3511 -43.3511 -43.3501 -43.3501 -11.6193 -11.6193 2.1178 2.1178 2.2098 2.2098 2.3130 2.3130 3.0129 3.0129 3.2645 3.2645 3.6126 3.6126 3.6549 3.6549 4.0490 4.0490 8.7459 8.7459 11.2518 11.2518 12.1002 12.1002 k = 0.6062-0.1046 0.4082 ( 2326 PWs) bands (ev): -79.0024 -79.0024 -47.8195 -47.8195 -43.3511 -43.3511 -43.3501 -43.3501 -11.6197 -11.6197 2.1561 2.1561 2.2110 2.2110 2.3423 2.3423 2.9999 2.9999 3.2583 3.2583 3.6066 3.6066 3.6451 3.6451 4.0069 4.0069 8.6993 8.6993 11.2167 11.2167 12.2407 12.2407 k = 0.6000-0.1155 0.4082 ( 2324 PWs) bands (ev): -79.0024 -79.0024 -47.8195 -47.8195 -43.3511 -43.3511 -43.3501 -43.3501 -11.6201 -11.6201 2.1950 2.1950 2.2118 2.2118 2.3734 2.3734 2.9872 2.9872 3.2510 3.2510 3.6004 3.6004 3.6349 3.6349 3.9645 3.9645 8.6530 8.6530 11.1834 11.1834 12.3848 12.3848 k = 0.5938-0.1263 0.4082 ( 2328 PWs) bands (ev): -79.0024 -79.0024 -47.8195 -47.8195 -43.3511 -43.3511 -43.3501 -43.3501 -11.6205 -11.6205 2.2124 2.2124 2.2344 2.2344 2.4059 2.4059 2.9748 2.9748 3.2426 3.2426 3.5939 3.5939 3.6244 3.6244 3.9221 3.9221 8.6076 8.6076 11.1522 11.1522 12.5318 12.5318 k = 0.5875-0.1371 0.4082 ( 2328 PWs) bands (ev): -79.0024 -79.0024 -47.8195 -47.8195 -43.3511 -43.3511 -43.3501 -43.3501 -11.6209 -11.6209 2.2130 2.2130 2.2742 2.2742 2.4396 2.4396 2.9629 2.9629 3.2330 3.2330 3.5867 3.5867 3.6139 3.6139 3.8802 3.8802 8.5634 8.5634 11.1230 11.1230 12.6812 12.6812 k = 0.5813-0.1479 0.4082 ( 2328 PWs) bands (ev): -79.0024 -79.0024 -47.8195 -47.8195 -43.3511 -43.3511 -43.3501 -43.3501 -11.6214 -11.6214 2.2136 2.2136 2.3141 2.3141 2.4744 2.4744 2.9515 2.9515 3.2221 3.2221 3.5788 3.5788 3.6034 3.6034 3.8391 3.8391 8.5208 8.5208 11.0958 11.0958 12.8323 12.8323 k = 0.5750-0.1588 0.4082 ( 2324 PWs) bands (ev): -79.0024 -79.0024 -47.8195 -47.8195 -43.3512 -43.3512 -43.3501 -43.3501 -11.6218 -11.6218 2.2144 2.2144 2.3541 2.3541 2.5100 2.5100 2.9408 2.9408 3.2098 3.2098 3.5694 3.5694 3.5930 3.5930 3.7998 3.7998 8.4803 8.4803 11.0707 11.0707 12.9847 12.9847 k = 0.5687-0.1696 0.4082 ( 2328 PWs) bands (ev): -79.0024 -79.0024 -47.8195 -47.8195 -43.3512 -43.3512 -43.3501 -43.3501 -11.6222 -11.6222 2.2151 2.2151 2.3937 2.3937 2.5463 2.5463 2.9308 2.9308 3.1960 3.1960 3.5580 3.5580 3.5828 3.5828 3.7628 3.7628 8.4421 8.4421 11.0476 11.0476 13.1378 13.1378 k = 0.5625-0.1804 0.4082 ( 2320 PWs) bands (ev): -79.0024 -79.0024 -47.8195 -47.8195 -43.3512 -43.3512 -43.3500 -43.3500 -11.6227 -11.6227 2.2159 2.2159 2.4330 2.4330 2.5832 2.5832 2.9218 2.9218 3.1808 3.1808 3.5438 3.5438 3.5731 3.5731 3.7297 3.7297 8.4064 8.4064 11.0265 11.0265 13.2913 13.2913 k = 0.5563-0.1912 0.4082 ( 2322 PWs) bands (ev): -79.0024 -79.0024 -47.8195 -47.8195 -43.3512 -43.3512 -43.3500 -43.3500 -11.6231 -11.6231 2.2166 2.2166 2.4715 2.4715 2.6202 2.6202 2.9138 2.9138 3.1640 3.1640 3.5255 3.5255 3.5637 3.5637 3.7013 3.7013 8.3735 8.3735 11.0075 11.0075 13.4445 13.4445 k = 0.5500-0.2021 0.4082 ( 2318 PWs) bands (ev): -79.0024 -79.0024 -47.8195 -47.8195 -43.3512 -43.3512 -43.3500 -43.3500 -11.6234 -11.6234 2.2174 2.2174 2.5089 2.5089 2.6572 2.6572 2.9071 2.9071 3.1458 3.1458 3.5029 3.5029 3.5549 3.5549 3.6787 3.6787 8.3435 8.3435 10.9906 10.9906 13.5968 13.5968 k = 0.5437-0.2129 0.4082 ( 2314 PWs) bands (ev): -79.0024 -79.0024 -47.8195 -47.8195 -43.3512 -43.3512 -43.3500 -43.3500 -11.6238 -11.6238 2.2181 2.2181 2.5448 2.5448 2.6938 2.6938 2.9017 2.9017 3.1263 3.1263 3.4763 3.4763 3.5470 3.5470 3.6616 3.6616 8.3167 8.3167 10.9756 10.9756 13.7474 13.7474 k = 0.5375-0.2237 0.4082 ( 2318 PWs) bands (ev): -79.0024 -79.0024 -47.8195 -47.8195 -43.3512 -43.3512 -43.3500 -43.3500 -11.6241 -11.6241 2.2188 2.2188 2.5787 2.5787 2.7294 2.7294 2.8979 2.8979 3.1055 3.1055 3.4471 3.4471 3.5399 3.5399 3.6492 3.6492 8.2932 8.2932 10.9627 10.9627 13.8951 13.8951 k = 0.5312-0.2345 0.4082 ( 2314 PWs) bands (ev): -79.0024 -79.0024 -47.8195 -47.8195 -43.3512 -43.3512 -43.3500 -43.3500 -11.6244 -11.6244 2.2194 2.2194 2.6098 2.6098 2.7636 2.7636 2.8960 2.8960 3.0840 3.0840 3.4172 3.4172 3.5338 3.5338 3.6404 3.6404 8.2731 8.2731 10.9517 10.9517 14.0381 14.0381 k = 0.5250-0.2454 0.4082 ( 2318 PWs) bands (ev): -79.0024 -79.0024 -47.8195 -47.8195 -43.3512 -43.3512 -43.3500 -43.3500 -11.6246 -11.6246 2.2199 2.2199 2.6372 2.6372 2.7953 2.7953 2.8959 2.8959 3.0622 3.0622 3.3885 3.3885 3.5287 3.5287 3.6342 3.6342 8.2565 8.2565 10.9428 10.9428 14.1728 14.1728 k = 0.5188-0.2562 0.4082 ( 2332 PWs) bands (ev): -79.0024 -79.0024 -47.8195 -47.8195 -43.3512 -43.3512 -43.3500 -43.3500 -11.6248 -11.6248 2.2203 2.2203 2.6599 2.6599 2.8236 2.8236 2.8976 2.8976 3.0409 3.0409 3.3629 3.3629 3.5247 3.5247 3.6298 3.6298 8.2435 8.2435 10.9358 10.9358 14.2927 14.2927 k = 0.5125-0.2670 0.4082 ( 2336 PWs) bands (ev): -79.0024 -79.0024 -47.8195 -47.8195 -43.3513 -43.3513 -43.3500 -43.3500 -11.6249 -11.6249 2.2206 2.2206 2.6771 2.6771 2.8470 2.8470 2.9006 2.9006 3.0217 3.0217 3.3426 3.3426 3.5217 3.5217 3.6270 3.6270 8.2341 8.2341 10.9308 10.9308 14.3860 14.3860 k = 0.5062-0.2778 0.4082 ( 2344 PWs) bands (ev): -79.0025 -79.0025 -47.8195 -47.8195 -43.3513 -43.3513 -43.3500 -43.3500 -11.6250 -11.6250 2.2208 2.2208 2.6877 2.6877 2.8631 2.8631 2.9036 2.9036 3.0075 3.0075 3.3292 3.3292 3.5200 3.5200 3.6253 3.6253 8.2285 8.2285 10.9279 10.9279 14.4407 14.4407 k = 0.5000-0.2887 0.4082 ( 2346 PWs) bands (ev): -79.0025 -79.0025 -47.8195 -47.8195 -43.3513 -43.3513 -43.3500 -43.3500 -11.6250 -11.6250 2.2209 2.2209 2.6913 2.6913 2.8690 2.8690 2.9050 2.9050 3.0020 3.0020 3.3246 3.3246 3.5194 3.5194 3.6248 3.6248 8.2266 8.2266 10.9269 10.9269 14.4574 14.4574 Writing output data file PdO.save init_run : 0.15s CPU 0.36s WALL ( 1 calls) electrons : 63.43s CPU 64.65s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.02s CPU 0.09s WALL ( 1 calls) Called by electrons: c_bands : 63.43s CPU 64.65s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.02s CPU 0.05s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.03s CPU 0.03s WALL ( 372 calls) cegterg : 57.47s CPU 58.44s WALL ( 477 calls) Called by sum_band: Called by *egterg: h_psi : 36.23s CPU 36.90s WALL ( 6789 calls) s_psi : 0.69s CPU 0.73s WALL ( 6789 calls) g_psi : 0.07s CPU 0.07s WALL ( 5940 calls) cdiaghg : 20.82s CPU 21.21s WALL ( 6312 calls) cegterg:over : 1.40s CPU 1.54s WALL ( 5940 calls) cegterg:upda : 1.10s CPU 1.13s WALL ( 5940 calls) cegterg:last : 0.75s CPU 0.71s WALL ( 1188 calls) cdiaghg:chol : 0.98s CPU 1.08s WALL ( 6312 calls) cdiaghg:inve : 0.46s CPU 0.50s WALL ( 6312 calls) cdiaghg:para : 1.20s CPU 1.27s WALL ( 12624 calls) Called by h_psi: h_psi:vloc : 34.38s CPU 35.20s WALL ( 6789 calls) h_psi:vnl : 1.82s CPU 1.66s WALL ( 6789 calls) add_vuspsi : 0.98s CPU 0.88s WALL ( 6789 calls) General routines calbec : 0.82s CPU 0.76s WALL ( 6789 calls) fft : 0.00s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 31.79s CPU 32.65s WALL ( 436640 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.10s CPU 0.10s WALL ( 744 calls) Parallel routines fft_scatter : 10.99s CPU 11.42s WALL ( 436663 calls) PWSCF : 1m12.73s CPU 1m27.46s WALL This run was terminated on: 21: 4: 8 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=