Program PWSCF v.5.4.0 starts on 28Mar2017 at 16:42:12 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI & OpenMP), running on 144 processor cores Number of MPI processes: 72 Threads/MPI process: 2 R & G space division: proc/nbgrp/npool/nimage = 72 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: ./SiNi.save/ file Ni.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per band group will be used scalapack distributed-memory algorithm (size of sub-group: 6* 6 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 18 13 4 516 328 52 Max 19 14 5 525 342 57 Sum 1353 1005 293 37529 24111 3911 bravais-lattice index = 14 lattice parameter (alat) = 8.4977 a.u. unit-cell volume = 613.6227 (a.u.)^3 number of atoms/cell = 8 number of atomic types = 2 number of electrons = 56.00 number of Kohn-Sham states= 68 kinetic-energy cutoff = 44.0000 Ry charge density cutoff = 236.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.497682 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= 0.000000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.000000 1.000000 0.000000 ) a(3) = ( 0.000000 0.000000 1.000000 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 1.000000 -0.000000 ) b(3) = ( 0.000000 0.000000 1.000000 ) PseudoPot. # 1 for Ni read from file: /users/gautes/Pseudo/Ni.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 9d95a5a85785a32f0d1fefdc4874c578 Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1195 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Si read from file: /users/gautes/Pseudo/Si.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: b835890840a210e39275f4497a2439d5 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1141 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 Ni 10.00 58.69340 Ni( 1.00) Si 4.00 28.08550 Si( 1.00) 3 Sym. Ops. (no inversion) found (note: 9 additional sym.ops. were found but ignored their fractional translations are incommensurate with FFT grid) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 120 deg rotation - cart. axis [-1,-1,-1] cryst. s( 2) = ( 0 0 1 ) ( 1 0 0 ) ( 0 1 0 ) cart. s( 2) = ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 -0.0000000 1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 3 120 deg rotation - cart. axis [1,1,1] cryst. s( 3) = ( 0 1 0 ) ( 0 0 1 ) ( 1 0 0 ) cart. s( 3) = ( 0.0000000 0.0000000 1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) double point group C_3 (3) there are 6 classes and 3 irreducible representations the character table: E -E C3 -C3 C3^2 -C3^2 G_4 1.00 -1.00 0.50 -0.50 0.50 -0.50 G_5 1.00 -1.00 0.50 -0.50 0.50 -0.50 G_6 1.00 -1.00 -1.00 1.00 -1.00 1.00 imaginary part E -E C3 -C3 C3^2 -C3^2 G_4 0.00 0.00 0.87 -0.87 -0.87 0.87 G_5 0.00 0.00 -0.87 0.87 0.87 -0.87 G_6 0.00 0.00 0.00 0.00 0.00 0.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E C3 3 120 deg rotation - cart. axis [1,1,1] -C3 -3 120 deg rotation - cart. axis [1,1,1] E C3^2 2 120 deg rotation - cart. axis [-1,-1,-1] -C3^2 -2 120 deg rotation - cart. axis [-1,-1,-1] E Cartesian axes number of k points= 272 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036765 k( 2) = ( 0.0000000 0.0142857 -0.0000000), wk = 0.0036765 k( 3) = ( 0.0000000 0.0285714 -0.0000000), wk = 0.0036765 k( 4) = ( 0.0000000 0.0428571 -0.0000000), wk = 0.0036765 k( 5) = ( 0.0000000 0.0571429 -0.0000000), wk = 0.0036765 k( 6) = ( 0.0000000 0.0714286 -0.0000000), wk = 0.0036765 k( 7) = ( 0.0000000 0.0857143 -0.0000000), wk = 0.0036765 k( 8) = ( 0.0000000 0.1000000 -0.0000000), wk = 0.0036765 k( 9) = ( 0.0000000 0.1142857 -0.0000000), wk = 0.0036765 k( 10) = ( 0.0000000 0.1285714 -0.0000000), wk = 0.0036765 k( 11) = ( 0.0000000 0.1428571 -0.0000000), wk = 0.0036765 k( 12) = ( 0.0000000 0.1571429 -0.0000000), wk = 0.0036765 k( 13) = ( 0.0000000 0.1714286 -0.0000000), wk = 0.0036765 k( 14) = ( 0.0000000 0.1857143 -0.0000000), wk = 0.0036765 k( 15) = ( 0.0000000 0.2000000 -0.0000000), wk = 0.0036765 k( 16) = ( 0.0000000 0.2142857 -0.0000000), wk = 0.0036765 k( 17) = ( 0.0000000 0.2285714 -0.0000000), wk = 0.0036765 k( 18) = ( 0.0000000 0.2428571 -0.0000000), wk = 0.0036765 k( 19) = ( 0.0000000 0.2571429 -0.0000000), wk = 0.0036765 k( 20) = ( 0.0000000 0.2714286 -0.0000000), wk = 0.0036765 k( 21) = ( 0.0000000 0.2857143 -0.0000000), wk = 0.0036765 k( 22) = ( 0.0000000 0.3000000 -0.0000000), wk = 0.0036765 k( 23) = ( 0.0000000 0.3142857 -0.0000000), wk = 0.0036765 k( 24) = ( 0.0000000 0.3285714 -0.0000000), wk = 0.0036765 k( 25) = ( 0.0000000 0.3428571 -0.0000000), wk = 0.0036765 k( 26) = ( 0.0000000 0.3571429 -0.0000000), wk = 0.0036765 k( 27) = ( 0.0000000 0.3714286 -0.0000000), wk = 0.0036765 k( 28) = ( 0.0000000 0.3857143 -0.0000000), wk = 0.0036765 k( 29) = ( 0.0000000 0.4000000 -0.0000000), wk = 0.0036765 k( 30) = ( 0.0000000 0.4142857 -0.0000000), wk = 0.0036765 k( 31) = ( 0.0000000 0.4285714 -0.0000000), wk = 0.0036765 k( 32) = ( 0.0000000 0.4428571 -0.0000000), wk = 0.0036765 k( 33) = ( 0.0000000 0.4571429 -0.0000000), wk = 0.0036765 k( 34) = ( 0.0000000 0.4714286 -0.0000000), wk = 0.0036765 k( 35) = ( 0.0000000 0.4857143 -0.0000000), wk = 0.0036765 k( 36) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0036765 k( 37) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0036765 k( 38) = ( 0.0142857 0.5000000 -0.0000000), wk = 0.0036765 k( 39) = ( 0.0285714 0.5000000 -0.0000000), wk = 0.0036765 k( 40) = ( 0.0428571 0.5000000 -0.0000000), wk = 0.0036765 k( 41) = ( 0.0571429 0.5000000 -0.0000000), wk = 0.0036765 k( 42) = ( 0.0714286 0.5000000 -0.0000000), wk = 0.0036765 k( 43) = ( 0.0857143 0.5000000 -0.0000000), wk = 0.0036765 k( 44) = ( 0.1000000 0.5000000 -0.0000000), wk = 0.0036765 k( 45) = ( 0.1142857 0.5000000 -0.0000000), wk = 0.0036765 k( 46) = ( 0.1285714 0.5000000 -0.0000000), wk = 0.0036765 k( 47) = ( 0.1428571 0.5000000 -0.0000000), wk = 0.0036765 k( 48) = ( 0.1571429 0.5000000 -0.0000000), wk = 0.0036765 k( 49) = ( 0.1714286 0.5000000 -0.0000000), wk = 0.0036765 k( 50) = ( 0.1857143 0.5000000 -0.0000000), wk = 0.0036765 k( 51) = ( 0.2000000 0.5000000 -0.0000000), wk = 0.0036765 k( 52) = ( 0.2142857 0.5000000 -0.0000000), wk = 0.0036765 k( 53) = ( 0.2285714 0.5000000 -0.0000000), wk = 0.0036765 k( 54) = ( 0.2428571 0.5000000 -0.0000000), wk = 0.0036765 k( 55) = ( 0.2571429 0.5000000 -0.0000000), wk = 0.0036765 k( 56) = ( 0.2714286 0.5000000 -0.0000000), wk = 0.0036765 k( 57) = ( 0.2857143 0.5000000 -0.0000000), wk = 0.0036765 k( 58) = ( 0.3000000 0.5000000 -0.0000000), wk = 0.0036765 k( 59) = ( 0.3142857 0.5000000 -0.0000000), wk = 0.0036765 k( 60) = ( 0.3285714 0.5000000 -0.0000000), wk = 0.0036765 k( 61) = ( 0.3428571 0.5000000 -0.0000000), wk = 0.0036765 k( 62) = ( 0.3571429 0.5000000 -0.0000000), wk = 0.0036765 k( 63) = ( 0.3714286 0.5000000 -0.0000000), wk = 0.0036765 k( 64) = ( 0.3857143 0.5000000 -0.0000000), wk = 0.0036765 k( 65) = ( 0.4000000 0.5000000 -0.0000000), wk = 0.0036765 k( 66) = ( 0.4142857 0.5000000 -0.0000000), wk = 0.0036765 k( 67) = ( 0.4285714 0.5000000 -0.0000000), wk = 0.0036765 k( 68) = ( 0.4428571 0.5000000 -0.0000000), wk = 0.0036765 k( 69) = ( 0.4571429 0.5000000 -0.0000000), wk = 0.0036765 k( 70) = ( 0.4714286 0.5000000 -0.0000000), wk = 0.0036765 k( 71) = ( 0.4857143 0.5000000 -0.0000000), wk = 0.0036765 k( 72) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0036765 k( 73) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0036765 k( 74) = ( 0.4900000 0.4900000 -0.0000000), wk = 0.0036765 k( 75) = ( 0.4800000 0.4800000 -0.0000000), wk = 0.0036765 k( 76) = ( 0.4700000 0.4700000 -0.0000000), wk = 0.0036765 k( 77) = ( 0.4600000 0.4600000 -0.0000000), wk = 0.0036765 k( 78) = ( 0.4500000 0.4500000 -0.0000000), wk = 0.0036765 k( 79) = ( 0.4400000 0.4400000 -0.0000000), wk = 0.0036765 k( 80) = ( 0.4300000 0.4300000 -0.0000000), wk = 0.0036765 k( 81) = ( 0.4200000 0.4200000 -0.0000000), wk = 0.0036765 k( 82) = ( 0.4100000 0.4100000 -0.0000000), wk = 0.0036765 k( 83) = ( 0.4000000 0.4000000 -0.0000000), wk = 0.0036765 k( 84) = ( 0.3900000 0.3900000 -0.0000000), wk = 0.0036765 k( 85) = ( 0.3800000 0.3800000 -0.0000000), wk = 0.0036765 k( 86) = ( 0.3700000 0.3700000 -0.0000000), wk = 0.0036765 k( 87) = ( 0.3600000 0.3600000 -0.0000000), wk = 0.0036765 k( 88) = ( 0.3500000 0.3500000 -0.0000000), wk = 0.0036765 k( 89) = ( 0.3400000 0.3400000 -0.0000000), wk = 0.0036765 k( 90) = ( 0.3300000 0.3300000 -0.0000000), wk = 0.0036765 k( 91) = ( 0.3200000 0.3200000 -0.0000000), wk = 0.0036765 k( 92) = ( 0.3100000 0.3100000 -0.0000000), wk = 0.0036765 k( 93) = ( 0.3000000 0.3000000 -0.0000000), wk = 0.0036765 k( 94) = ( 0.2900000 0.2900000 -0.0000000), wk = 0.0036765 k( 95) = ( 0.2800000 0.2800000 -0.0000000), wk = 0.0036765 k( 96) = ( 0.2700000 0.2700000 -0.0000000), wk = 0.0036765 k( 97) = ( 0.2600000 0.2600000 -0.0000000), wk = 0.0036765 k( 98) = ( 0.2500000 0.2500000 -0.0000000), wk = 0.0036765 k( 99) = ( 0.2400000 0.2400000 -0.0000000), wk = 0.0036765 k( 100) = ( 0.2300000 0.2300000 -0.0000000), wk = 0.0036765 k( 101) = ( 0.2200000 0.2200000 -0.0000000), wk = 0.0036765 k( 102) = ( 0.2100000 0.2100000 -0.0000000), wk = 0.0036765 k( 103) = ( 0.2000000 0.2000000 -0.0000000), wk = 0.0036765 k( 104) = ( 0.1900000 0.1900000 -0.0000000), wk = 0.0036765 k( 105) = ( 0.1800000 0.1800000 -0.0000000), wk = 0.0036765 k( 106) = ( 0.1700000 0.1700000 -0.0000000), wk = 0.0036765 k( 107) = ( 0.1600000 0.1600000 -0.0000000), wk = 0.0036765 k( 108) = ( 0.1500000 0.1500000 -0.0000000), wk = 0.0036765 k( 109) = ( 0.1400000 0.1400000 -0.0000000), wk = 0.0036765 k( 110) = ( 0.1300000 0.1300000 -0.0000000), wk = 0.0036765 k( 111) = ( 0.1200000 0.1200000 -0.0000000), wk = 0.0036765 k( 112) = ( 0.1100000 0.1100000 -0.0000000), wk = 0.0036765 k( 113) = ( 0.1000000 0.1000000 -0.0000000), wk = 0.0036765 k( 114) = ( 0.0900000 0.0900000 -0.0000000), wk = 0.0036765 k( 115) = ( 0.0800000 0.0800000 -0.0000000), wk = 0.0036765 k( 116) = ( 0.0700000 0.0700000 -0.0000000), wk = 0.0036765 k( 117) = ( 0.0600000 0.0600000 -0.0000000), wk = 0.0036765 k( 118) = ( 0.0500000 0.0500000 -0.0000000), wk = 0.0036765 k( 119) = ( 0.0400000 0.0400000 -0.0000000), wk = 0.0036765 k( 120) = ( 0.0300000 0.0300000 -0.0000000), wk = 0.0036765 k( 121) = ( 0.0200000 0.0200000 -0.0000000), wk = 0.0036765 k( 122) = ( 0.0100000 0.0100000 -0.0000000), wk = 0.0036765 k( 123) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036765 k( 124) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036765 k( 125) = ( 0.0081967 0.0081967 0.0081967), wk = 0.0036765 k( 126) = ( 0.0163934 0.0163934 0.0163934), wk = 0.0036765 k( 127) = ( 0.0245902 0.0245902 0.0245902), wk = 0.0036765 k( 128) = ( 0.0327869 0.0327869 0.0327869), wk = 0.0036765 k( 129) = ( 0.0409836 0.0409836 0.0409836), wk = 0.0036765 k( 130) = ( 0.0491803 0.0491803 0.0491803), wk = 0.0036765 k( 131) = ( 0.0573770 0.0573770 0.0573770), wk = 0.0036765 k( 132) = ( 0.0655738 0.0655738 0.0655738), wk = 0.0036765 k( 133) = ( 0.0737705 0.0737705 0.0737705), wk = 0.0036765 k( 134) = ( 0.0819672 0.0819672 0.0819672), wk = 0.0036765 k( 135) = ( 0.0901639 0.0901639 0.0901639), wk = 0.0036765 k( 136) = ( 0.0983607 0.0983607 0.0983607), wk = 0.0036765 k( 137) = ( 0.1065574 0.1065574 0.1065574), wk = 0.0036765 k( 138) = ( 0.1147541 0.1147541 0.1147541), wk = 0.0036765 k( 139) = ( 0.1229508 0.1229508 0.1229508), wk = 0.0036765 k( 140) = ( 0.1311475 0.1311475 0.1311475), wk = 0.0036765 k( 141) = ( 0.1393443 0.1393443 0.1393443), wk = 0.0036765 k( 142) = ( 0.1475410 0.1475410 0.1475410), wk = 0.0036765 k( 143) = ( 0.1557377 0.1557377 0.1557377), wk = 0.0036765 k( 144) = ( 0.1639344 0.1639344 0.1639344), wk = 0.0036765 k( 145) = ( 0.1721312 0.1721311 0.1721311), wk = 0.0036765 k( 146) = ( 0.1803279 0.1803279 0.1803279), wk = 0.0036765 k( 147) = ( 0.1885246 0.1885246 0.1885246), wk = 0.0036765 k( 148) = ( 0.1967213 0.1967213 0.1967213), wk = 0.0036765 k( 149) = ( 0.2049180 0.2049180 0.2049180), wk = 0.0036765 k( 150) = ( 0.2131147 0.2131147 0.2131147), wk = 0.0036765 k( 151) = ( 0.2213115 0.2213115 0.2213115), wk = 0.0036765 k( 152) = ( 0.2295082 0.2295082 0.2295082), wk = 0.0036765 k( 153) = ( 0.2377049 0.2377049 0.2377049), wk = 0.0036765 k( 154) = ( 0.2459016 0.2459016 0.2459016), wk = 0.0036765 k( 155) = ( 0.2540984 0.2540984 0.2540984), wk = 0.0036765 k( 156) = ( 0.2622951 0.2622951 0.2622951), wk = 0.0036765 k( 157) = ( 0.2704918 0.2704918 0.2704918), wk = 0.0036765 k( 158) = ( 0.2786885 0.2786885 0.2786885), wk = 0.0036765 k( 159) = ( 0.2868852 0.2868852 0.2868852), wk = 0.0036765 k( 160) = ( 0.2950820 0.2950820 0.2950820), wk = 0.0036765 k( 161) = ( 0.3032787 0.3032787 0.3032787), wk = 0.0036765 k( 162) = ( 0.3114754 0.3114754 0.3114754), wk = 0.0036765 k( 163) = ( 0.3196721 0.3196721 0.3196721), wk = 0.0036765 k( 164) = ( 0.3278688 0.3278688 0.3278688), wk = 0.0036765 k( 165) = ( 0.3360656 0.3360656 0.3360656), wk = 0.0036765 k( 166) = ( 0.3442623 0.3442623 0.3442623), wk = 0.0036765 k( 167) = ( 0.3524590 0.3524590 0.3524590), wk = 0.0036765 k( 168) = ( 0.3606557 0.3606557 0.3606557), wk = 0.0036765 k( 169) = ( 0.3688525 0.3688525 0.3688525), wk = 0.0036765 k( 170) = ( 0.3770492 0.3770492 0.3770492), wk = 0.0036765 k( 171) = ( 0.3852459 0.3852459 0.3852459), wk = 0.0036765 k( 172) = ( 0.3934426 0.3934426 0.3934426), wk = 0.0036765 k( 173) = ( 0.4016393 0.4016393 0.4016393), wk = 0.0036765 k( 174) = ( 0.4098361 0.4098361 0.4098361), wk = 0.0036765 k( 175) = ( 0.4180328 0.4180328 0.4180328), wk = 0.0036765 k( 176) = ( 0.4262295 0.4262295 0.4262295), wk = 0.0036765 k( 177) = ( 0.4344262 0.4344262 0.4344262), wk = 0.0036765 k( 178) = ( 0.4426230 0.4426229 0.4426229), wk = 0.0036765 k( 179) = ( 0.4508197 0.4508197 0.4508197), wk = 0.0036765 k( 180) = ( 0.4590164 0.4590164 0.4590164), wk = 0.0036765 k( 181) = ( 0.4672131 0.4672131 0.4672131), wk = 0.0036765 k( 182) = ( 0.4754098 0.4754098 0.4754098), wk = 0.0036765 k( 183) = ( 0.4836066 0.4836066 0.4836066), wk = 0.0036765 k( 184) = ( 0.4918033 0.4918033 0.4918033), wk = 0.0036765 k( 185) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0036765 k( 186) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0036765 k( 187) = ( 0.4900000 0.5000000 0.4900000), wk = 0.0036765 k( 188) = ( 0.4800000 0.5000000 0.4800000), wk = 0.0036765 k( 189) = ( 0.4700000 0.5000000 0.4700000), wk = 0.0036765 k( 190) = ( 0.4600000 0.5000000 0.4600000), wk = 0.0036765 k( 191) = ( 0.4500000 0.5000000 0.4500000), wk = 0.0036765 k( 192) = ( 0.4400000 0.5000000 0.4400000), wk = 0.0036765 k( 193) = ( 0.4300000 0.5000000 0.4300000), wk = 0.0036765 k( 194) = ( 0.4200000 0.5000000 0.4200000), wk = 0.0036765 k( 195) = ( 0.4100000 0.5000000 0.4100000), wk = 0.0036765 k( 196) = ( 0.4000000 0.5000000 0.4000000), wk = 0.0036765 k( 197) = ( 0.3900000 0.5000000 0.3900000), wk = 0.0036765 k( 198) = ( 0.3800000 0.5000000 0.3800000), wk = 0.0036765 k( 199) = ( 0.3700000 0.5000000 0.3700000), wk = 0.0036765 k( 200) = ( 0.3600000 0.5000000 0.3600000), wk = 0.0036765 k( 201) = ( 0.3500000 0.5000000 0.3500000), wk = 0.0036765 k( 202) = ( 0.3400000 0.5000000 0.3400000), wk = 0.0036765 k( 203) = ( 0.3300000 0.5000000 0.3300000), wk = 0.0036765 k( 204) = ( 0.3200000 0.5000000 0.3200000), wk = 0.0036765 k( 205) = ( 0.3100000 0.5000000 0.3100000), wk = 0.0036765 k( 206) = ( 0.3000000 0.5000000 0.3000000), wk = 0.0036765 k( 207) = ( 0.2900000 0.5000000 0.2900000), wk = 0.0036765 k( 208) = ( 0.2800000 0.5000000 0.2800000), wk = 0.0036765 k( 209) = ( 0.2700000 0.5000000 0.2700000), wk = 0.0036765 k( 210) = ( 0.2600000 0.5000000 0.2600000), wk = 0.0036765 k( 211) = ( 0.2500000 0.5000000 0.2500000), wk = 0.0036765 k( 212) = ( 0.2400000 0.5000000 0.2400000), wk = 0.0036765 k( 213) = ( 0.2300000 0.5000000 0.2300000), wk = 0.0036765 k( 214) = ( 0.2200000 0.5000000 0.2200000), wk = 0.0036765 k( 215) = ( 0.2100000 0.5000000 0.2100000), wk = 0.0036765 k( 216) = ( 0.2000000 0.5000000 0.2000000), wk = 0.0036765 k( 217) = ( 0.1900000 0.5000000 0.1900000), wk = 0.0036765 k( 218) = ( 0.1800000 0.5000000 0.1800000), wk = 0.0036765 k( 219) = ( 0.1700000 0.5000000 0.1700000), wk = 0.0036765 k( 220) = ( 0.1600000 0.5000000 0.1600000), wk = 0.0036765 k( 221) = ( 0.1500000 0.5000000 0.1500000), wk = 0.0036765 k( 222) = ( 0.1400000 0.5000000 0.1400000), wk = 0.0036765 k( 223) = ( 0.1300000 0.5000000 0.1300000), wk = 0.0036765 k( 224) = ( 0.1200000 0.5000000 0.1200000), wk = 0.0036765 k( 225) = ( 0.1100000 0.5000000 0.1100000), wk = 0.0036765 k( 226) = ( 0.1000000 0.5000000 0.1000000), wk = 0.0036765 k( 227) = ( 0.0900000 0.5000000 0.0900000), wk = 0.0036765 k( 228) = ( 0.0800000 0.5000000 0.0800000), wk = 0.0036765 k( 229) = ( 0.0700000 0.5000000 0.0700000), wk = 0.0036765 k( 230) = ( 0.0600000 0.5000000 0.0600000), wk = 0.0036765 k( 231) = ( 0.0500000 0.5000000 0.0500000), wk = 0.0036765 k( 232) = ( 0.0400000 0.5000000 0.0400000), wk = 0.0036765 k( 233) = ( 0.0300000 0.5000000 0.0300000), wk = 0.0036765 k( 234) = ( 0.0200000 0.5000000 0.0200000), wk = 0.0036765 k( 235) = ( 0.0100000 0.5000000 0.0100000), wk = 0.0036765 k( 236) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0036765 k( 237) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0036765 k( 238) = ( 0.5000000 0.5000000 0.0142857), wk = 0.0036765 k( 239) = ( 0.5000000 0.5000000 0.0285714), wk = 0.0036765 k( 240) = ( 0.5000000 0.5000000 0.0428571), wk = 0.0036765 k( 241) = ( 0.5000000 0.5000000 0.0571429), wk = 0.0036765 k( 242) = ( 0.5000000 0.5000000 0.0714286), wk = 0.0036765 k( 243) = ( 0.5000000 0.5000000 0.0857143), wk = 0.0036765 k( 244) = ( 0.5000000 0.5000000 0.1000000), wk = 0.0036765 k( 245) = ( 0.5000000 0.5000000 0.1142857), wk = 0.0036765 k( 246) = ( 0.5000000 0.5000000 0.1285714), wk = 0.0036765 k( 247) = ( 0.5000000 0.5000000 0.1428571), wk = 0.0036765 k( 248) = ( 0.5000000 0.5000000 0.1571429), wk = 0.0036765 k( 249) = ( 0.5000000 0.5000000 0.1714286), wk = 0.0036765 k( 250) = ( 0.5000000 0.5000000 0.1857143), wk = 0.0036765 k( 251) = ( 0.5000000 0.5000000 0.2000000), wk = 0.0036765 k( 252) = ( 0.5000000 0.5000000 0.2142857), wk = 0.0036765 k( 253) = ( 0.5000000 0.5000000 0.2285714), wk = 0.0036765 k( 254) = ( 0.5000000 0.5000000 0.2428571), wk = 0.0036765 k( 255) = ( 0.5000000 0.5000000 0.2571429), wk = 0.0036765 k( 256) = ( 0.5000000 0.5000000 0.2714286), wk = 0.0036765 k( 257) = ( 0.5000000 0.5000000 0.2857143), wk = 0.0036765 k( 258) = ( 0.5000000 0.5000000 0.3000000), wk = 0.0036765 k( 259) = ( 0.5000000 0.5000000 0.3142857), wk = 0.0036765 k( 260) = ( 0.5000000 0.5000000 0.3285714), wk = 0.0036765 k( 261) = ( 0.5000000 0.5000000 0.3428571), wk = 0.0036765 k( 262) = ( 0.5000000 0.5000000 0.3571429), wk = 0.0036765 k( 263) = ( 0.5000000 0.5000000 0.3714286), wk = 0.0036765 k( 264) = ( 0.5000000 0.5000000 0.3857143), wk = 0.0036765 k( 265) = ( 0.5000000 0.5000000 0.4000000), wk = 0.0036765 k( 266) = ( 0.5000000 0.5000000 0.4142857), wk = 0.0036765 k( 267) = ( 0.5000000 0.5000000 0.4285714), wk = 0.0036765 k( 268) = ( 0.5000000 0.5000000 0.4428571), wk = 0.0036765 k( 269) = ( 0.5000000 0.5000000 0.4571429), wk = 0.0036765 k( 270) = ( 0.5000000 0.5000000 0.4714286), wk = 0.0036765 k( 271) = ( 0.5000000 0.5000000 0.4857143), wk = 0.0036765 k( 272) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0036765 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036765 k( 2) = ( 0.0000000 0.0142857 0.0000000), wk = 0.0036765 k( 3) = ( 0.0000000 0.0285714 0.0000000), wk = 0.0036765 k( 4) = ( 0.0000000 0.0428571 0.0000000), wk = 0.0036765 k( 5) = ( 0.0000000 0.0571429 0.0000000), wk = 0.0036765 k( 6) = ( 0.0000000 0.0714286 0.0000000), wk = 0.0036765 k( 7) = ( 0.0000000 0.0857143 0.0000000), wk = 0.0036765 k( 8) = ( 0.0000000 0.1000000 0.0000000), wk = 0.0036765 k( 9) = ( 0.0000000 0.1142857 0.0000000), wk = 0.0036765 k( 10) = ( 0.0000000 0.1285714 0.0000000), wk = 0.0036765 k( 11) = ( 0.0000000 0.1428571 0.0000000), wk = 0.0036765 k( 12) = ( 0.0000000 0.1571429 0.0000000), wk = 0.0036765 k( 13) = ( 0.0000000 0.1714286 0.0000000), wk = 0.0036765 k( 14) = ( 0.0000000 0.1857143 0.0000000), wk = 0.0036765 k( 15) = ( 0.0000000 0.2000000 0.0000000), wk = 0.0036765 k( 16) = ( 0.0000000 0.2142857 0.0000000), wk = 0.0036765 k( 17) = ( 0.0000000 0.2285714 0.0000000), wk = 0.0036765 k( 18) = ( 0.0000000 0.2428571 0.0000000), wk = 0.0036765 k( 19) = ( 0.0000000 0.2571429 0.0000000), wk = 0.0036765 k( 20) = ( 0.0000000 0.2714286 0.0000000), wk = 0.0036765 k( 21) = ( 0.0000000 0.2857143 0.0000000), wk = 0.0036765 k( 22) = ( 0.0000000 0.3000000 0.0000000), wk = 0.0036765 k( 23) = ( 0.0000000 0.3142857 0.0000000), wk = 0.0036765 k( 24) = ( 0.0000000 0.3285714 0.0000000), wk = 0.0036765 k( 25) = ( 0.0000000 0.3428571 0.0000000), wk = 0.0036765 k( 26) = ( 0.0000000 0.3571429 0.0000000), wk = 0.0036765 k( 27) = ( 0.0000000 0.3714286 0.0000000), wk = 0.0036765 k( 28) = ( 0.0000000 0.3857143 0.0000000), wk = 0.0036765 k( 29) = ( 0.0000000 0.4000000 0.0000000), wk = 0.0036765 k( 30) = ( 0.0000000 0.4142857 0.0000000), wk = 0.0036765 k( 31) = ( 0.0000000 0.4285714 0.0000000), wk = 0.0036765 k( 32) = ( 0.0000000 0.4428571 0.0000000), wk = 0.0036765 k( 33) = ( 0.0000000 0.4571429 0.0000000), wk = 0.0036765 k( 34) = ( 0.0000000 0.4714286 0.0000000), wk = 0.0036765 k( 35) = ( 0.0000000 0.4857143 0.0000000), wk = 0.0036765 k( 36) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0036765 k( 37) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0036765 k( 38) = ( 0.0142857 0.5000000 0.0000000), wk = 0.0036765 k( 39) = ( 0.0285714 0.5000000 0.0000000), wk = 0.0036765 k( 40) = ( 0.0428571 0.5000000 0.0000000), wk = 0.0036765 k( 41) = ( 0.0571429 0.5000000 0.0000000), wk = 0.0036765 k( 42) = ( 0.0714286 0.5000000 0.0000000), wk = 0.0036765 k( 43) = ( 0.0857143 0.5000000 0.0000000), wk = 0.0036765 k( 44) = ( 0.1000000 0.5000000 0.0000000), wk = 0.0036765 k( 45) = ( 0.1142857 0.5000000 0.0000000), wk = 0.0036765 k( 46) = ( 0.1285714 0.5000000 0.0000000), wk = 0.0036765 k( 47) = ( 0.1428571 0.5000000 0.0000000), wk = 0.0036765 k( 48) = ( 0.1571429 0.5000000 0.0000000), wk = 0.0036765 k( 49) = ( 0.1714286 0.5000000 0.0000000), wk = 0.0036765 k( 50) = ( 0.1857143 0.5000000 0.0000000), wk = 0.0036765 k( 51) = ( 0.2000000 0.5000000 0.0000000), wk = 0.0036765 k( 52) = ( 0.2142857 0.5000000 0.0000000), wk = 0.0036765 k( 53) = ( 0.2285714 0.5000000 0.0000000), wk = 0.0036765 k( 54) = ( 0.2428571 0.5000000 0.0000000), wk = 0.0036765 k( 55) = ( 0.2571429 0.5000000 0.0000000), wk = 0.0036765 k( 56) = ( 0.2714286 0.5000000 0.0000000), wk = 0.0036765 k( 57) = ( 0.2857143 0.5000000 0.0000000), wk = 0.0036765 k( 58) = ( 0.3000000 0.5000000 -0.0000000), wk = 0.0036765 k( 59) = ( 0.3142857 0.5000000 -0.0000000), wk = 0.0036765 k( 60) = ( 0.3285714 0.5000000 0.0000000), wk = 0.0036765 k( 61) = ( 0.3428571 0.5000000 0.0000000), wk = 0.0036765 k( 62) = ( 0.3571429 0.5000000 0.0000000), wk = 0.0036765 k( 63) = ( 0.3714286 0.5000000 0.0000000), wk = 0.0036765 k( 64) = ( 0.3857143 0.5000000 0.0000000), wk = 0.0036765 k( 65) = ( 0.4000000 0.5000000 0.0000000), wk = 0.0036765 k( 66) = ( 0.4142857 0.5000000 0.0000000), wk = 0.0036765 k( 67) = ( 0.4285714 0.5000000 0.0000000), wk = 0.0036765 k( 68) = ( 0.4428571 0.5000000 0.0000000), wk = 0.0036765 k( 69) = ( 0.4571429 0.5000000 0.0000000), wk = 0.0036765 k( 70) = ( 0.4714286 0.5000000 0.0000000), wk = 0.0036765 k( 71) = ( 0.4857143 0.5000000 0.0000000), wk = 0.0036765 k( 72) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0036765 k( 73) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0036765 k( 74) = ( 0.4900000 0.4900000 0.0000000), wk = 0.0036765 k( 75) = ( 0.4800000 0.4800000 0.0000000), wk = 0.0036765 k( 76) = ( 0.4700000 0.4700000 0.0000000), wk = 0.0036765 k( 77) = ( 0.4600000 0.4600000 0.0000000), wk = 0.0036765 k( 78) = ( 0.4500000 0.4500000 0.0000000), wk = 0.0036765 k( 79) = ( 0.4400000 0.4400000 0.0000000), wk = 0.0036765 k( 80) = ( 0.4300000 0.4300000 0.0000000), wk = 0.0036765 k( 81) = ( 0.4200000 0.4200000 0.0000000), wk = 0.0036765 k( 82) = ( 0.4100000 0.4100000 0.0000000), wk = 0.0036765 k( 83) = ( 0.4000000 0.4000000 0.0000000), wk = 0.0036765 k( 84) = ( 0.3900000 0.3900000 0.0000000), wk = 0.0036765 k( 85) = ( 0.3800000 0.3800000 0.0000000), wk = 0.0036765 k( 86) = ( 0.3700000 0.3700000 0.0000000), wk = 0.0036765 k( 87) = ( 0.3600000 0.3600000 0.0000000), wk = 0.0036765 k( 88) = ( 0.3500000 0.3500000 0.0000000), wk = 0.0036765 k( 89) = ( 0.3400000 0.3400000 0.0000000), wk = 0.0036765 k( 90) = ( 0.3300000 0.3300000 0.0000000), wk = 0.0036765 k( 91) = ( 0.3200000 0.3200000 0.0000000), wk = 0.0036765 k( 92) = ( 0.3100000 0.3100000 0.0000000), wk = 0.0036765 k( 93) = ( 0.3000000 0.3000000 0.0000000), wk = 0.0036765 k( 94) = ( 0.2900000 0.2900000 0.0000000), wk = 0.0036765 k( 95) = ( 0.2800000 0.2800000 0.0000000), wk = 0.0036765 k( 96) = ( 0.2700000 0.2700000 0.0000000), wk = 0.0036765 k( 97) = ( 0.2600000 0.2600000 0.0000000), wk = 0.0036765 k( 98) = ( 0.2500000 0.2500000 0.0000000), wk = 0.0036765 k( 99) = ( 0.2400000 0.2400000 0.0000000), wk = 0.0036765 k( 100) = ( 0.2300000 0.2300000 0.0000000), wk = 0.0036765 k( 101) = ( 0.2200000 0.2200000 0.0000000), wk = 0.0036765 k( 102) = ( 0.2100000 0.2100000 0.0000000), wk = 0.0036765 k( 103) = ( 0.2000000 0.2000000 0.0000000), wk = 0.0036765 k( 104) = ( 0.1900000 0.1900000 0.0000000), wk = 0.0036765 k( 105) = ( 0.1800000 0.1800000 0.0000000), wk = 0.0036765 k( 106) = ( 0.1700000 0.1700000 0.0000000), wk = 0.0036765 k( 107) = ( 0.1600000 0.1600000 0.0000000), wk = 0.0036765 k( 108) = ( 0.1500000 0.1500000 0.0000000), wk = 0.0036765 k( 109) = ( 0.1400000 0.1400000 0.0000000), wk = 0.0036765 k( 110) = ( 0.1300000 0.1300000 0.0000000), wk = 0.0036765 k( 111) = ( 0.1200000 0.1200000 0.0000000), wk = 0.0036765 k( 112) = ( 0.1100000 0.1100000 0.0000000), wk = 0.0036765 k( 113) = ( 0.1000000 0.1000000 0.0000000), wk = 0.0036765 k( 114) = ( 0.0900000 0.0900000 0.0000000), wk = 0.0036765 k( 115) = ( 0.0800000 0.0800000 0.0000000), wk = 0.0036765 k( 116) = ( 0.0700000 0.0700000 0.0000000), wk = 0.0036765 k( 117) = ( 0.0600000 0.0600000 0.0000000), wk = 0.0036765 k( 118) = ( 0.0500000 0.0500000 0.0000000), wk = 0.0036765 k( 119) = ( 0.0400000 0.0400000 0.0000000), wk = 0.0036765 k( 120) = ( 0.0300000 0.0300000 0.0000000), wk = 0.0036765 k( 121) = ( 0.0200000 0.0200000 0.0000000), wk = 0.0036765 k( 122) = ( 0.0100000 0.0100000 0.0000000), wk = 0.0036765 k( 123) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036765 k( 124) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036765 k( 125) = ( 0.0081967 0.0081967 0.0081967), wk = 0.0036765 k( 126) = ( 0.0163934 0.0163934 0.0163934), wk = 0.0036765 k( 127) = ( 0.0245902 0.0245902 0.0245902), wk = 0.0036765 k( 128) = ( 0.0327869 0.0327869 0.0327869), wk = 0.0036765 k( 129) = ( 0.0409836 0.0409836 0.0409836), wk = 0.0036765 k( 130) = ( 0.0491803 0.0491803 0.0491803), wk = 0.0036765 k( 131) = ( 0.0573770 0.0573770 0.0573770), wk = 0.0036765 k( 132) = ( 0.0655738 0.0655738 0.0655738), wk = 0.0036765 k( 133) = ( 0.0737705 0.0737705 0.0737705), wk = 0.0036765 k( 134) = ( 0.0819672 0.0819672 0.0819672), wk = 0.0036765 k( 135) = ( 0.0901639 0.0901639 0.0901639), wk = 0.0036765 k( 136) = ( 0.0983607 0.0983607 0.0983607), wk = 0.0036765 k( 137) = ( 0.1065574 0.1065574 0.1065574), wk = 0.0036765 k( 138) = ( 0.1147541 0.1147541 0.1147541), wk = 0.0036765 k( 139) = ( 0.1229508 0.1229508 0.1229508), wk = 0.0036765 k( 140) = ( 0.1311475 0.1311475 0.1311475), wk = 0.0036765 k( 141) = ( 0.1393443 0.1393443 0.1393443), wk = 0.0036765 k( 142) = ( 0.1475410 0.1475410 0.1475410), wk = 0.0036765 k( 143) = ( 0.1557377 0.1557377 0.1557377), wk = 0.0036765 k( 144) = ( 0.1639344 0.1639344 0.1639344), wk = 0.0036765 k( 145) = ( 0.1721312 0.1721312 0.1721312), wk = 0.0036765 k( 146) = ( 0.1803279 0.1803279 0.1803279), wk = 0.0036765 k( 147) = ( 0.1885246 0.1885246 0.1885246), wk = 0.0036765 k( 148) = ( 0.1967213 0.1967213 0.1967213), wk = 0.0036765 k( 149) = ( 0.2049180 0.2049180 0.2049180), wk = 0.0036765 k( 150) = ( 0.2131147 0.2131147 0.2131147), wk = 0.0036765 k( 151) = ( 0.2213115 0.2213115 0.2213115), wk = 0.0036765 k( 152) = ( 0.2295082 0.2295082 0.2295082), wk = 0.0036765 k( 153) = ( 0.2377049 0.2377049 0.2377049), wk = 0.0036765 k( 154) = ( 0.2459016 0.2459016 0.2459016), wk = 0.0036765 k( 155) = ( 0.2540984 0.2540984 0.2540984), wk = 0.0036765 k( 156) = ( 0.2622951 0.2622951 0.2622951), wk = 0.0036765 k( 157) = ( 0.2704918 0.2704918 0.2704918), wk = 0.0036765 k( 158) = ( 0.2786885 0.2786885 0.2786885), wk = 0.0036765 k( 159) = ( 0.2868852 0.2868852 0.2868852), wk = 0.0036765 k( 160) = ( 0.2950820 0.2950820 0.2950820), wk = 0.0036765 k( 161) = ( 0.3032787 0.3032787 0.3032787), wk = 0.0036765 k( 162) = ( 0.3114754 0.3114754 0.3114754), wk = 0.0036765 k( 163) = ( 0.3196721 0.3196721 0.3196721), wk = 0.0036765 k( 164) = ( 0.3278688 0.3278688 0.3278688), wk = 0.0036765 k( 165) = ( 0.3360656 0.3360656 0.3360656), wk = 0.0036765 k( 166) = ( 0.3442623 0.3442623 0.3442623), wk = 0.0036765 k( 167) = ( 0.3524590 0.3524590 0.3524590), wk = 0.0036765 k( 168) = ( 0.3606557 0.3606557 0.3606557), wk = 0.0036765 k( 169) = ( 0.3688525 0.3688525 0.3688525), wk = 0.0036765 k( 170) = ( 0.3770492 0.3770492 0.3770492), wk = 0.0036765 k( 171) = ( 0.3852459 0.3852459 0.3852459), wk = 0.0036765 k( 172) = ( 0.3934426 0.3934426 0.3934426), wk = 0.0036765 k( 173) = ( 0.4016393 0.4016393 0.4016393), wk = 0.0036765 k( 174) = ( 0.4098361 0.4098361 0.4098361), wk = 0.0036765 k( 175) = ( 0.4180328 0.4180328 0.4180328), wk = 0.0036765 k( 176) = ( 0.4262295 0.4262295 0.4262295), wk = 0.0036765 k( 177) = ( 0.4344262 0.4344262 0.4344262), wk = 0.0036765 k( 178) = ( 0.4426230 0.4426230 0.4426230), wk = 0.0036765 k( 179) = ( 0.4508197 0.4508197 0.4508197), wk = 0.0036765 k( 180) = ( 0.4590164 0.4590164 0.4590164), wk = 0.0036765 k( 181) = ( 0.4672131 0.4672131 0.4672131), wk = 0.0036765 k( 182) = ( 0.4754098 0.4754098 0.4754098), wk = 0.0036765 k( 183) = ( 0.4836066 0.4836066 0.4836066), wk = 0.0036765 k( 184) = ( 0.4918033 0.4918033 0.4918033), wk = 0.0036765 k( 185) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0036765 k( 186) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0036765 k( 187) = ( 0.4900000 0.5000000 0.4900000), wk = 0.0036765 k( 188) = ( 0.4800000 0.5000000 0.4800000), wk = 0.0036765 k( 189) = ( 0.4700000 0.5000000 0.4700000), wk = 0.0036765 k( 190) = ( 0.4600000 0.5000000 0.4600000), wk = 0.0036765 k( 191) = ( 0.4500000 0.5000000 0.4500000), wk = 0.0036765 k( 192) = ( 0.4400000 0.5000000 0.4400000), wk = 0.0036765 k( 193) = ( 0.4300000 0.5000000 0.4300000), wk = 0.0036765 k( 194) = ( 0.4200000 0.5000000 0.4200000), wk = 0.0036765 k( 195) = ( 0.4100000 0.5000000 0.4100000), wk = 0.0036765 k( 196) = ( 0.4000000 0.5000000 0.4000000), wk = 0.0036765 k( 197) = ( 0.3900000 0.5000000 0.3900000), wk = 0.0036765 k( 198) = ( 0.3800000 0.5000000 0.3800000), wk = 0.0036765 k( 199) = ( 0.3700000 0.5000000 0.3700000), wk = 0.0036765 k( 200) = ( 0.3600000 0.5000000 0.3600000), wk = 0.0036765 k( 201) = ( 0.3500000 0.5000000 0.3500000), wk = 0.0036765 k( 202) = ( 0.3400000 0.5000000 0.3400000), wk = 0.0036765 k( 203) = ( 0.3300000 0.5000000 0.3300000), wk = 0.0036765 k( 204) = ( 0.3200000 0.5000000 0.3200000), wk = 0.0036765 k( 205) = ( 0.3100000 0.5000000 0.3100000), wk = 0.0036765 k( 206) = ( 0.3000000 0.5000000 0.3000000), wk = 0.0036765 k( 207) = ( 0.2900000 0.5000000 0.2900000), wk = 0.0036765 k( 208) = ( 0.2800000 0.5000000 0.2800000), wk = 0.0036765 k( 209) = ( 0.2700000 0.5000000 0.2700000), wk = 0.0036765 k( 210) = ( 0.2600000 0.5000000 0.2600000), wk = 0.0036765 k( 211) = ( 0.2500000 0.5000000 0.2500000), wk = 0.0036765 k( 212) = ( 0.2400000 0.5000000 0.2400000), wk = 0.0036765 k( 213) = ( 0.2300000 0.5000000 0.2300000), wk = 0.0036765 k( 214) = ( 0.2200000 0.5000000 0.2200000), wk = 0.0036765 k( 215) = ( 0.2100000 0.5000000 0.2100000), wk = 0.0036765 k( 216) = ( 0.2000000 0.5000000 0.2000000), wk = 0.0036765 k( 217) = ( 0.1900000 0.5000000 0.1900000), wk = 0.0036765 k( 218) = ( 0.1800000 0.5000000 0.1800000), wk = 0.0036765 k( 219) = ( 0.1700000 0.5000000 0.1700000), wk = 0.0036765 k( 220) = ( 0.1600000 0.5000000 0.1600000), wk = 0.0036765 k( 221) = ( 0.1500000 0.5000000 0.1500000), wk = 0.0036765 k( 222) = ( 0.1400000 0.5000000 0.1400000), wk = 0.0036765 k( 223) = ( 0.1300000 0.5000000 0.1300000), wk = 0.0036765 k( 224) = ( 0.1200000 0.5000000 0.1200000), wk = 0.0036765 k( 225) = ( 0.1100000 0.5000000 0.1100000), wk = 0.0036765 k( 226) = ( 0.1000000 0.5000000 0.1000000), wk = 0.0036765 k( 227) = ( 0.0900000 0.5000000 0.0900000), wk = 0.0036765 k( 228) = ( 0.0800000 0.5000000 0.0800000), wk = 0.0036765 k( 229) = ( 0.0700000 0.5000000 0.0700000), wk = 0.0036765 k( 230) = ( 0.0600000 0.5000000 0.0600000), wk = 0.0036765 k( 231) = ( 0.0500000 0.5000000 0.0500000), wk = 0.0036765 k( 232) = ( 0.0400000 0.5000000 0.0400000), wk = 0.0036765 k( 233) = ( 0.0300000 0.5000000 0.0300000), wk = 0.0036765 k( 234) = ( 0.0200000 0.5000000 0.0200000), wk = 0.0036765 k( 235) = ( 0.0100000 0.5000000 0.0100000), wk = 0.0036765 k( 236) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0036765 k( 237) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0036765 k( 238) = ( 0.5000000 0.5000000 0.0142857), wk = 0.0036765 k( 239) = ( 0.5000000 0.5000000 0.0285714), wk = 0.0036765 k( 240) = ( 0.5000000 0.5000000 0.0428571), wk = 0.0036765 k( 241) = ( 0.5000000 0.5000000 0.0571429), wk = 0.0036765 k( 242) = ( 0.5000000 0.5000000 0.0714286), wk = 0.0036765 k( 243) = ( 0.5000000 0.5000000 0.0857143), wk = 0.0036765 k( 244) = ( 0.5000000 0.5000000 0.1000000), wk = 0.0036765 k( 245) = ( 0.5000000 0.5000000 0.1142857), wk = 0.0036765 k( 246) = ( 0.5000000 0.5000000 0.1285714), wk = 0.0036765 k( 247) = ( 0.5000000 0.5000000 0.1428571), wk = 0.0036765 k( 248) = ( 0.5000000 0.5000000 0.1571429), wk = 0.0036765 k( 249) = ( 0.5000000 0.5000000 0.1714286), wk = 0.0036765 k( 250) = ( 0.5000000 0.5000000 0.1857143), wk = 0.0036765 k( 251) = ( 0.5000000 0.5000000 0.2000000), wk = 0.0036765 k( 252) = ( 0.5000000 0.5000000 0.2142857), wk = 0.0036765 k( 253) = ( 0.5000000 0.5000000 0.2285714), wk = 0.0036765 k( 254) = ( 0.5000000 0.5000000 0.2428571), wk = 0.0036765 k( 255) = ( 0.5000000 0.5000000 0.2571429), wk = 0.0036765 k( 256) = ( 0.5000000 0.5000000 0.2714286), wk = 0.0036765 k( 257) = ( 0.5000000 0.5000000 0.2857143), wk = 0.0036765 k( 258) = ( 0.5000000 0.5000000 0.3000000), wk = 0.0036765 k( 259) = ( 0.5000000 0.5000000 0.3142857), wk = 0.0036765 k( 260) = ( 0.5000000 0.5000000 0.3285714), wk = 0.0036765 k( 261) = ( 0.5000000 0.5000000 0.3428571), wk = 0.0036765 k( 262) = ( 0.5000000 0.5000000 0.3571429), wk = 0.0036765 k( 263) = ( 0.5000000 0.5000000 0.3714286), wk = 0.0036765 k( 264) = ( 0.5000000 0.5000000 0.3857143), wk = 0.0036765 k( 265) = ( 0.5000000 0.5000000 0.4000000), wk = 0.0036765 k( 266) = ( 0.5000000 0.5000000 0.4142857), wk = 0.0036765 k( 267) = ( 0.5000000 0.5000000 0.4285714), wk = 0.0036765 k( 268) = ( 0.5000000 0.5000000 0.4428571), wk = 0.0036765 k( 269) = ( 0.5000000 0.5000000 0.4571429), wk = 0.0036765 k( 270) = ( 0.5000000 0.5000000 0.4714286), wk = 0.0036765 k( 271) = ( 0.5000000 0.5000000 0.4857143), wk = 0.0036765 k( 272) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0036765 Dense grid: 37529 G-vectors FFT dimensions: ( 45, 45, 45) Smooth grid: 24111 G-vectors FFT dimensions: ( 36, 36, 36) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.09 Mb ( 88, 68) NL pseudopotentials 0.18 Mb ( 44, 272) Each V/rho on FFT grid 0.03 Mb ( 2025) Each G-vector array 0.00 Mb ( 525) G-vector shells 0.00 Mb ( 185) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.37 Mb ( 88, 272) Each subspace H/S matrix 0.03 Mb ( 45, 45) Each matrix 0.56 Mb ( 272, 2, 68) The potential is recalculated from file : ./SiNi.save/charge-density.dat Starting wfc are 104 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 4.7 secs Computing kpt #: 2 total cpu time spent up to now is 6.4 secs Computing kpt #: 3 total cpu time spent up to now is 7.7 secs Computing kpt #: 4 total cpu time spent up to now is 8.9 secs Computing kpt #: 5 total cpu time spent up to now is 10.2 secs Computing kpt #: 6 total cpu time spent up to now is 11.4 secs Computing kpt #: 7 total cpu time spent up to now is 12.6 secs Computing kpt #: 8 total cpu time spent up to now is 13.9 secs Computing kpt #: 9 total cpu time spent up to now is 15.2 secs Computing kpt #: 10 total cpu time spent up to now is 16.4 secs Computing kpt #: 11 total cpu time spent up to now is 17.7 secs Computing kpt #: 12 total cpu time spent up to now is 19.0 secs Computing kpt #: 13 total cpu time spent up to now is 20.2 secs Computing kpt #: 14 total cpu time spent up to now is 21.4 secs Computing kpt #: 15 total cpu time spent up to now is 22.6 secs Computing kpt #: 16 total cpu time spent up to now is 23.6 secs Computing kpt #: 17 total cpu time spent up to now is 24.7 secs Computing kpt #: 18 total cpu time spent up to now is 25.7 secs Computing kpt #: 19 total cpu time spent up to now is 26.8 secs Computing kpt #: 20 total cpu time spent up to now is 27.9 secs Computing kpt #: 21 total cpu time spent up to now is 29.2 secs Computing kpt #: 22 total cpu time spent up to now is 30.2 secs Computing kpt #: 23 total cpu time spent up to now is 31.3 secs Computing kpt #: 24 total cpu time spent up to now is 32.5 secs Computing kpt #: 25 total cpu time spent up to now is 33.6 secs Computing kpt #: 26 total cpu time spent up to now is 34.7 secs Computing kpt #: 27 total cpu time spent up to now is 35.8 secs Computing kpt #: 28 total cpu time spent up to now is 37.0 secs Computing kpt #: 29 total cpu time spent up to now is 38.2 secs Computing kpt #: 30 total cpu time spent up to now is 39.4 secs Computing kpt #: 31 total cpu time spent up to now is 40.9 secs Computing kpt #: 32 total cpu time spent up to now is 42.2 secs Computing kpt #: 33 total cpu time spent up to now is 43.5 secs Computing kpt #: 34 total cpu time spent up to now is 45.2 secs Computing kpt #: 35 total cpu time spent up to now is 46.4 secs Computing kpt #: 36 total cpu time spent up to now is 48.0 secs Computing kpt #: 37 total cpu time spent up to now is 49.2 secs Computing kpt #: 38 total cpu time spent up to now is 50.4 secs Computing kpt #: 39 total cpu time spent up to now is 51.7 secs Computing kpt #: 40 total cpu time spent up to now is 52.9 secs Computing kpt #: 41 total cpu time spent up to now is 54.1 secs Computing kpt #: 42 total cpu time spent up to now is 55.3 secs Computing kpt #: 43 total cpu time spent up to now is 56.5 secs Computing kpt #: 44 total cpu time spent up to now is 57.6 secs Computing kpt #: 45 total cpu time spent up to now is 58.9 secs Computing kpt #: 46 total cpu time spent up to now is 60.1 secs Computing kpt #: 47 total cpu time spent up to now is 61.2 secs Computing kpt #: 48 total cpu time spent up to now is 62.3 secs Computing kpt #: 49 total cpu time spent up to now is 63.4 secs Computing kpt #: 50 total cpu time spent up to now is 64.5 secs Computing kpt #: 51 total cpu time spent up to now is 65.5 secs Computing kpt #: 52 total cpu time spent up to now is 66.7 secs Computing kpt #: 53 total cpu time spent up to now is 67.8 secs Computing kpt #: 54 total cpu time spent up to now is 69.0 secs Computing kpt #: 55 total cpu time spent up to now is 70.0 secs Computing kpt #: 56 total cpu time spent up to now is 71.1 secs Computing kpt #: 57 total cpu time spent up to now is 72.3 secs Computing kpt #: 58 total cpu time spent up to now is 73.4 secs Computing kpt #: 59 total cpu time spent up to now is 74.6 secs Computing kpt #: 60 total cpu time spent up to now is 75.7 secs Computing kpt #: 61 total cpu time spent up to now is 77.5 secs Computing kpt #: 62 total cpu time spent up to now is 78.7 secs Computing kpt #: 63 total cpu time spent up to now is 79.8 secs Computing kpt #: 64 total cpu time spent up to now is 81.0 secs Computing kpt #: 65 total cpu time spent up to now is 82.2 secs Computing kpt #: 66 total cpu time spent up to now is 83.5 secs Computing kpt #: 67 total cpu time spent up to now is 84.7 secs Computing kpt #: 68 total cpu time spent up to now is 85.9 secs Computing kpt #: 69 total cpu time spent up to now is 87.0 secs Computing kpt #: 70 total cpu time spent up to now is 88.2 secs Computing kpt #: 71 total cpu time spent up to now is 89.3 secs Computing kpt #: 72 total cpu time spent up to now is 90.4 secs Computing kpt #: 73 total cpu time spent up to now is 91.4 secs Computing kpt #: 74 total cpu time spent up to now is 92.6 secs Computing kpt #: 75 total cpu time spent up to now is 93.7 secs Computing kpt #: 76 total cpu time spent up to now is 94.9 secs Computing kpt #: 77 total cpu time spent up to now is 96.1 secs Computing kpt #: 78 total cpu time spent up to now is 97.5 secs Computing kpt #: 79 total cpu time spent up to now is 98.8 secs Computing kpt #: 80 total cpu time spent up to now is 100.3 secs Computing kpt #: 81 total cpu time spent up to now is 101.8 secs Computing kpt #: 82 total cpu time spent up to now is 103.4 secs Computing kpt #: 83 total cpu time spent up to now is 104.8 secs Computing kpt #: 84 total cpu time spent up to now is 106.4 secs Computing kpt #: 85 total cpu time spent up to now is 107.8 secs Computing kpt #: 86 total cpu time spent up to now is 109.0 secs Computing kpt #: 87 total cpu time spent up to now is 110.2 secs Computing kpt #: 88 total cpu time spent up to now is 111.4 secs Computing kpt #: 89 total cpu time spent up to now is 112.6 secs Computing kpt #: 90 total cpu time spent up to now is 113.8 secs Computing kpt #: 91 total cpu time spent up to now is 115.0 secs Computing kpt #: 92 total cpu time spent up to now is 116.2 secs Computing kpt #: 93 total cpu time spent up to now is 117.4 secs Computing kpt #: 94 total cpu time spent up to now is 118.6 secs Computing kpt #: 95 total cpu time spent up to now is 119.8 secs Computing kpt #: 96 total cpu time spent up to now is 121.1 secs Computing kpt #: 97 total cpu time spent up to now is 122.3 secs Computing kpt #: 98 total cpu time spent up to now is 123.5 secs Computing kpt #: 99 total cpu time spent up to now is 124.8 secs Computing kpt #: 100 total cpu time spent up to now is 126.1 secs Computing kpt #: 101 total cpu time spent up to now is 127.3 secs Computing kpt #: 102 total cpu time spent up to now is 128.6 secs Computing kpt #: 103 total cpu time spent up to now is 129.8 secs Computing kpt #: 104 total cpu time spent up to now is 131.0 secs Computing kpt #: 105 total cpu time spent up to now is 132.2 secs Computing kpt #: 106 total cpu time spent up to now is 133.4 secs Computing kpt #: 107 total cpu time spent up to now is 134.6 secs Computing kpt #: 108 total cpu time spent up to now is 135.7 secs Computing kpt #: 109 total cpu time spent up to now is 136.8 secs Computing kpt #: 110 total cpu time spent up to now is 137.9 secs Computing kpt #: 111 total cpu time spent up to now is 139.0 secs Computing kpt #: 112 total cpu time spent up to now is 140.1 secs Computing kpt #: 113 total cpu time spent up to now is 141.1 secs Computing kpt #: 114 total cpu time spent up to now is 142.2 secs Computing kpt #: 115 total cpu time spent up to now is 143.3 secs Computing kpt #: 116 total cpu time spent up to now is 144.5 secs Computing kpt #: 117 total cpu time spent up to now is 145.6 secs Computing kpt #: 118 total cpu time spent up to now is 146.8 secs Computing kpt #: 119 total cpu time spent up to now is 147.9 secs Computing kpt #: 120 total cpu time spent up to now is 149.1 secs Computing kpt #: 121 total cpu time spent up to now is 150.3 secs Computing kpt #: 122 total cpu time spent up to now is 151.9 secs Computing kpt #: 123 total cpu time spent up to now is 153.2 secs Computing kpt #: 124 c_bands: 3 eigenvalues not converged total cpu time spent up to now is 156.3 secs Computing kpt #: 125 total cpu time spent up to now is 158.0 secs Computing kpt #: 126 total cpu time spent up to now is 159.3 secs Computing kpt #: 127 total cpu time spent up to now is 160.5 secs Computing kpt #: 128 total cpu time spent up to now is 161.6 secs Computing kpt #: 129 total cpu time spent up to now is 162.8 secs Computing kpt #: 130 total cpu time spent up to now is 163.9 secs Computing kpt #: 131 total cpu time spent up to now is 164.9 secs Computing kpt #: 132 total cpu time spent up to now is 166.5 secs Computing kpt #: 133 total cpu time spent up to now is 167.5 secs Computing kpt #: 134 total cpu time spent up to now is 168.5 secs Computing kpt #: 135 total cpu time spent up to now is 169.6 secs Computing kpt #: 136 total cpu time spent up to now is 170.8 secs Computing kpt #: 137 total cpu time spent up to now is 171.9 secs Computing kpt #: 138 total cpu time spent up to now is 173.0 secs Computing kpt #: 139 total cpu time spent up to now is 174.2 secs Computing kpt #: 140 total cpu time spent up to now is 175.4 secs Computing kpt #: 141 total cpu time spent up to now is 176.6 secs Computing kpt #: 142 total cpu time spent up to now is 177.8 secs Computing kpt #: 143 total cpu time spent up to now is 179.0 secs Computing kpt #: 144 total cpu time spent up to now is 180.3 secs Computing kpt #: 145 total cpu time spent up to now is 181.6 secs Computing kpt #: 146 total cpu time spent up to now is 182.9 secs Computing kpt #: 147 total cpu time spent up to now is 184.1 secs Computing kpt #: 148 total cpu time spent up to now is 185.5 secs Computing kpt #: 149 total cpu time spent up to now is 186.8 secs Computing kpt #: 150 total cpu time spent up to now is 188.1 secs Computing kpt #: 151 total cpu time spent up to now is 189.4 secs Computing kpt #: 152 total cpu time spent up to now is 190.9 secs Computing kpt #: 153 total cpu time spent up to now is 192.1 secs Computing kpt #: 154 total cpu time spent up to now is 193.5 secs Computing kpt #: 155 total cpu time spent up to now is 194.9 secs Computing kpt #: 156 total cpu time spent up to now is 196.7 secs Computing kpt #: 157 total cpu time spent up to now is 198.1 secs Computing kpt #: 158 total cpu time spent up to now is 199.5 secs Computing kpt #: 159 total cpu time spent up to now is 200.9 secs Computing kpt #: 160 total cpu time spent up to now is 202.3 secs Computing kpt #: 161 total cpu time spent up to now is 203.7 secs Computing kpt #: 162 total cpu time spent up to now is 205.1 secs Computing kpt #: 163 total cpu time spent up to now is 206.5 secs Computing kpt #: 164 total cpu time spent up to now is 207.9 secs Computing kpt #: 165 total cpu time spent up to now is 209.3 secs Computing kpt #: 166 total cpu time spent up to now is 210.7 secs Computing kpt #: 167 total cpu time spent up to now is 212.5 secs Computing kpt #: 168 total cpu time spent up to now is 213.9 secs Computing kpt #: 169 total cpu time spent up to now is 215.4 secs Computing kpt #: 170 total cpu time spent up to now is 216.9 secs Computing kpt #: 171 total cpu time spent up to now is 218.1 secs Computing kpt #: 172 total cpu time spent up to now is 219.5 secs Computing kpt #: 173 total cpu time spent up to now is 221.0 secs Computing kpt #: 174 total cpu time spent up to now is 222.4 secs Computing kpt #: 175 total cpu time spent up to now is 223.9 secs Computing kpt #: 176 total cpu time spent up to now is 225.3 secs Computing kpt #: 177 total cpu time spent up to now is 226.7 secs Computing kpt #: 178 total cpu time spent up to now is 228.1 secs Computing kpt #: 179 total cpu time spent up to now is 229.5 secs Computing kpt #: 180 total cpu time spent up to now is 231.0 secs Computing kpt #: 181 total cpu time spent up to now is 232.7 secs Computing kpt #: 182 total cpu time spent up to now is 234.3 secs Computing kpt #: 183 total cpu time spent up to now is 236.1 secs Computing kpt #: 184 total cpu time spent up to now is 237.9 secs Computing kpt #: 185 total cpu time spent up to now is 239.1 secs Computing kpt #: 186 total cpu time spent up to now is 240.4 secs Computing kpt #: 187 total cpu time spent up to now is 242.2 secs Computing kpt #: 188 total cpu time spent up to now is 244.1 secs Computing kpt #: 189 total cpu time spent up to now is 245.8 secs Computing kpt #: 190 total cpu time spent up to now is 247.3 secs Computing kpt #: 191 total cpu time spent up to now is 248.8 secs Computing kpt #: 192 total cpu time spent up to now is 250.2 secs Computing kpt #: 193 total cpu time spent up to now is 251.6 secs Computing kpt #: 194 total cpu time spent up to now is 252.8 secs Computing kpt #: 195 total cpu time spent up to now is 254.0 secs Computing kpt #: 196 total cpu time spent up to now is 255.2 secs Computing kpt #: 197 total cpu time spent up to now is 256.4 secs Computing kpt #: 198 total cpu time spent up to now is 257.8 secs Computing kpt #: 199 total cpu time spent up to now is 259.2 secs Computing kpt #: 200 total cpu time spent up to now is 260.6 secs Computing kpt #: 201 total cpu time spent up to now is 261.9 secs Computing kpt #: 202 total cpu time spent up to now is 263.3 secs Computing kpt #: 203 total cpu time spent up to now is 264.8 secs Computing kpt #: 204 total cpu time spent up to now is 266.2 secs Computing kpt #: 205 total cpu time spent up to now is 267.6 secs Computing kpt #: 206 total cpu time spent up to now is 269.2 secs Computing kpt #: 207 total cpu time spent up to now is 270.7 secs Computing kpt #: 208 total cpu time spent up to now is 272.2 secs Computing kpt #: 209 total cpu time spent up to now is 273.8 secs Computing kpt #: 210 total cpu time spent up to now is 275.3 secs Computing kpt #: 211 total cpu time spent up to now is 276.8 secs Computing kpt #: 212 total cpu time spent up to now is 278.4 secs Computing kpt #: 213 total cpu time spent up to now is 280.0 secs Computing kpt #: 214 total cpu time spent up to now is 281.2 secs Computing kpt #: 215 total cpu time spent up to now is 283.1 secs Computing kpt #: 216 total cpu time spent up to now is 284.7 secs Computing kpt #: 217 total cpu time spent up to now is 286.2 secs Computing kpt #: 218 total cpu time spent up to now is 287.7 secs Computing kpt #: 219 total cpu time spent up to now is 289.0 secs Computing kpt #: 220 total cpu time spent up to now is 290.6 secs Computing kpt #: 221 total cpu time spent up to now is 292.1 secs Computing kpt #: 222 total cpu time spent up to now is 293.4 secs Computing kpt #: 223 total cpu time spent up to now is 294.6 secs Computing kpt #: 224 total cpu time spent up to now is 295.9 secs Computing kpt #: 225 total cpu time spent up to now is 297.1 secs Computing kpt #: 226 total cpu time spent up to now is 298.4 secs Computing kpt #: 227 total cpu time spent up to now is 299.6 secs Computing kpt #: 228 total cpu time spent up to now is 300.8 secs Computing kpt #: 229 total cpu time spent up to now is 302.0 secs Computing kpt #: 230 total cpu time spent up to now is 303.2 secs Computing kpt #: 231 total cpu time spent up to now is 304.5 secs Computing kpt #: 232 total cpu time spent up to now is 305.7 secs Computing kpt #: 233 total cpu time spent up to now is 306.9 secs Computing kpt #: 234 total cpu time spent up to now is 308.2 secs Computing kpt #: 235 total cpu time spent up to now is 309.3 secs Computing kpt #: 236 total cpu time spent up to now is 310.9 secs Computing kpt #: 237 total cpu time spent up to now is 312.0 secs Computing kpt #: 238 total cpu time spent up to now is 313.0 secs Computing kpt #: 239 total cpu time spent up to now is 314.1 secs Computing kpt #: 240 total cpu time spent up to now is 315.2 secs Computing kpt #: 241 total cpu time spent up to now is 316.4 secs Computing kpt #: 242 total cpu time spent up to now is 317.4 secs Computing kpt #: 243 total cpu time spent up to now is 318.3 secs Computing kpt #: 244 total cpu time spent up to now is 319.4 secs Computing kpt #: 245 total cpu time spent up to now is 320.6 secs Computing kpt #: 246 total cpu time spent up to now is 321.7 secs Computing kpt #: 247 total cpu time spent up to now is 322.8 secs Computing kpt #: 248 total cpu time spent up to now is 323.9 secs Computing kpt #: 249 total cpu time spent up to now is 325.1 secs Computing kpt #: 250 total cpu time spent up to now is 326.2 secs Computing kpt #: 251 total cpu time spent up to now is 327.4 secs Computing kpt #: 252 total cpu time spent up to now is 328.6 secs Computing kpt #: 253 total cpu time spent up to now is 329.7 secs Computing kpt #: 254 total cpu time spent up to now is 330.9 secs Computing kpt #: 255 total cpu time spent up to now is 332.1 secs Computing kpt #: 256 total cpu time spent up to now is 333.2 secs Computing kpt #: 257 total cpu time spent up to now is 334.5 secs Computing kpt #: 258 total cpu time spent up to now is 335.7 secs Computing kpt #: 259 total cpu time spent up to now is 336.9 secs Computing kpt #: 260 total cpu time spent up to now is 338.1 secs Computing kpt #: 261 total cpu time spent up to now is 339.4 secs Computing kpt #: 262 total cpu time spent up to now is 340.8 secs Computing kpt #: 263 total cpu time spent up to now is 342.3 secs Computing kpt #: 264 total cpu time spent up to now is 343.8 secs Computing kpt #: 265 total cpu time spent up to now is 345.4 secs Computing kpt #: 266 total cpu time spent up to now is 347.3 secs Computing kpt #: 267 total cpu time spent up to now is 349.0 secs Computing kpt #: 268 total cpu time spent up to now is 350.9 secs Computing kpt #: 269 total cpu time spent up to now is 352.7 secs Computing kpt #: 270 total cpu time spent up to now is 354.6 secs Computing kpt #: 271 total cpu time spent up to now is 356.4 secs Computing kpt #: 272 total cpu time spent up to now is 357.6 secs ethr = 1.79E-08, avg # of iterations = 28.1 total cpu time spent up to now is 357.6 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2969 PWs) bands (ev): 0.0651 0.0651 5.5033 5.5033 5.5034 5.5034 5.5140 5.5140 8.0450 8.0450 8.0645 8.0645 8.0645 8.0645 9.5863 9.5863 9.5863 9.5863 9.6499 9.6499 10.2891 10.2891 10.2965 10.2965 10.2965 10.2965 10.6720 10.6720 10.6720 10.6720 10.6921 10.6921 10.9772 10.9772 10.9772 10.9772 11.0334 11.0334 12.1263 12.1263 12.1733 12.1733 12.1733 12.1733 12.2637 12.2637 12.2637 12.2637 12.7168 12.7168 12.7821 12.7821 12.7821 12.7821 15.3013 15.3013 15.3013 15.3013 15.3568 15.3568 15.8058 15.8058 15.8058 15.8058 16.3369 16.3369 16.3369 16.3371 k = 0.0000 0.0143-0.0000 ( 2969 PWs) bands (ev): 0.0665 0.0665 5.4244 5.4307 5.5077 5.5082 5.5788 5.5866 7.9926 8.0071 8.0572 8.0598 8.1141 8.1251 9.5231 9.5490 9.5922 9.6212 9.6484 9.7030 10.2888 10.2894 10.2933 10.2970 10.2976 10.3012 10.6667 10.6699 10.6733 10.6767 10.6872 10.6974 10.9619 10.9718 10.9814 10.9939 11.0241 11.0445 12.1132 12.1360 12.1558 12.1667 12.1815 12.1906 12.2600 12.2636 12.2639 12.2676 12.7001 12.7309 12.7604 12.7745 12.7929 12.8055 15.2437 15.2646 15.3000 15.3287 15.3515 15.3971 15.7828 15.8026 15.8113 15.8151 16.3357 16.3391 16.3447 16.3483 k = 0.0000 0.0286-0.0000 ( 2969 PWs) bands (ev): 0.0709 0.0709 5.3419 5.3478 5.5110 5.5111 5.6508 5.6590 7.9391 7.9532 8.0602 8.0613 8.1770 8.1884 9.4590 9.4900 9.5844 9.6075 9.7093 9.7631 10.2842 10.2882 10.2940 10.2982 10.3022 10.3094 10.6606 10.6660 10.6743 10.6807 10.6834 10.7024 10.9482 10.9658 10.9840 11.0109 11.0172 11.0575 12.0992 12.1386 12.1399 12.1592 12.1936 12.2068 12.2563 12.2638 12.2644 12.2727 12.6827 12.7383 12.7427 12.7682 12.8089 12.8307 15.1811 15.2056 15.2756 15.3020 15.3908 15.4341 15.7385 15.7741 15.8305 15.8371 16.3501 16.3537 16.3580 16.3662 k = 0.0000 0.0429-0.0000 ( 2978 PWs) bands (ev): 0.0782 0.0782 5.2557 5.2612 5.5161 5.5162 5.7196 5.7282 7.8890 7.9032 8.0642 8.0645 8.2428 8.2540 9.3940 9.4254 9.5695 9.5929 9.7687 9.8239 10.2758 10.2843 10.2960 10.2997 10.3116 10.3219 10.6537 10.6599 10.6753 10.6811 10.6843 10.7070 10.9363 10.9598 10.9849 11.0082 11.0315 11.0721 12.0854 12.1221 12.1378 12.1499 12.2091 12.2202 12.2523 12.2644 12.2650 12.2801 12.6655 12.7206 12.7466 12.7620 12.8310 12.8581 15.1158 15.1400 15.2377 15.2661 15.4173 15.4591 15.6792 15.7257 15.8601 15.8684 16.3726 16.3774 16.3834 16.3972 k = 0.0000 0.0571-0.0000 ( 2986 PWs) bands (ev): 0.0884 0.0884 5.1658 5.1709 5.5231 5.5235 5.7854 5.7945 7.8428 7.8572 8.0693 8.0693 8.3104 8.3213 9.3285 9.3591 9.5493 9.5746 9.8267 9.8839 10.2650 10.2775 10.2984 10.3019 10.3257 10.3381 10.6461 10.6520 10.6763 10.6802 10.6872 10.7111 10.9264 10.9545 10.9845 11.0013 11.0509 11.0880 12.0722 12.1063 12.1312 12.1382 12.2258 12.2294 12.2479 12.2659 12.2662 12.2910 12.6489 12.7030 12.7483 12.7556 12.8584 12.8882 15.0496 15.0724 15.1913 15.2223 15.4295 15.4695 15.6105 15.6640 15.8966 15.9057 16.3985 16.4017 16.4269 16.4423 k = 0.0000 0.0714-0.0000 ( 2998 PWs) bands (ev): 0.1016 0.1016 5.0725 5.0771 5.5322 5.5328 5.8486 5.8581 7.8009 7.8154 8.0753 8.0757 8.3793 8.3897 9.2626 9.2921 9.5248 9.5523 9.8830 9.9428 10.2516 10.2678 10.3011 10.3048 10.3434 10.3572 10.6379 10.6430 10.6774 10.6799 10.6897 10.7148 10.9184 10.9503 10.9829 10.9943 11.0707 11.1046 12.0598 12.0914 12.1208 12.1239 12.2343 12.2395 12.2435 12.2670 12.2712 12.3051 12.6334 12.6867 12.7475 12.7485 12.8906 12.9212 14.9838 15.0049 15.1395 15.1731 15.4270 15.4652 15.5364 15.5943 15.9373 15.9465 16.4264 16.4291 16.4767 16.4999 k = 0.0000 0.0857-0.0000 ( 3002 PWs) bands (ev): 0.1176 0.1176 4.9757 4.9799 5.5434 5.5441 5.9093 5.9192 7.7632 7.7778 8.0826 8.0832 8.4487 8.4586 9.1966 9.2249 9.4971 9.5265 9.9375 10.0002 10.2359 10.2555 10.3044 10.3083 10.3642 10.3787 10.6292 10.6334 10.6786 10.6800 10.6919 10.7180 10.9124 10.9473 10.9804 10.9873 11.0907 11.1217 12.0482 12.0772 12.1071 12.1074 12.2358 12.2371 12.2484 12.2684 12.2824 12.3206 12.6191 12.6719 12.7407 12.7450 12.9274 12.9579 14.9195 14.9387 15.0844 15.1206 15.4081 15.4465 15.4625 15.5212 15.9802 15.9891 16.4561 16.4588 16.5237 16.5593 k = 0.0000 0.1000-0.0000 ( 3010 PWs) bands (ev): 0.1366 0.1366 4.8757 4.8795 5.5566 5.5574 5.9678 5.9782 7.7297 7.7444 8.0909 8.0918 8.5179 8.5271 9.1311 9.1581 9.4666 9.4977 9.9901 10.0559 10.2178 10.2403 10.3082 10.3124 10.3872 10.4017 10.6202 10.6235 10.6799 10.6801 10.6938 10.7207 10.9081 10.9453 10.9772 10.9801 11.1103 11.1387 12.0372 12.0640 12.0882 12.0913 12.2311 12.2350 12.2513 12.2701 12.2976 12.3358 12.6064 12.6588 12.7321 12.7409 12.9689 12.9985 14.8575 14.8747 15.0277 15.0662 15.3584 15.4072 15.4100 15.4528 16.0243 16.0323 16.4873 16.4903 16.5680 16.6078 k = 0.0000 0.1143-0.0000 ( 3010 PWs) bands (ev): 0.1585 0.1585 4.7727 4.7762 5.5718 5.5728 6.0244 6.0351 7.7004 7.7151 8.1002 8.1014 8.5858 8.5942 9.0668 9.0928 9.4341 9.4665 10.0404 10.1094 10.1973 10.2226 10.3127 10.3171 10.4119 10.4259 10.6113 10.6136 10.6804 10.6812 10.6953 10.7232 10.9056 10.9442 10.9732 10.9735 11.1294 11.1553 12.0264 12.0515 12.0676 12.0726 12.2246 12.2326 12.2523 12.2720 12.3129 12.3495 12.5957 12.6479 12.7227 12.7355 13.0152 13.0434 14.7985 14.8137 14.9702 15.0111 15.2824 15.3464 15.3695 15.4027 16.0687 16.0757 16.5199 16.5232 16.6102 16.6504 k = 0.0000 0.1286-0.0000 ( 3010 PWs) bands (ev): 0.1832 0.1832 4.6670 4.6702 5.5890 5.5901 6.0793 6.0904 7.6752 7.6898 8.1103 8.1117 8.6504 8.6577 9.0056 9.0308 9.4000 9.4335 10.0882 10.1603 10.1745 10.2022 10.3177 10.3224 10.4378 10.4507 10.6027 10.6040 10.6807 10.6827 10.6967 10.7252 10.9045 10.9432 10.9671 10.9695 11.1477 11.1713 12.0145 12.0397 12.0467 12.0517 12.2174 12.2291 12.2527 12.2741 12.3262 12.3605 12.5870 12.6391 12.7125 12.7289 13.0662 13.0929 14.7430 14.7560 14.9127 14.9561 15.2015 15.2703 15.3315 15.3599 16.1131 16.1190 16.5536 16.5575 16.6505 16.6900 k = 0.0000 0.1429-0.0000 ( 3014 PWs) bands (ev): 0.2109 0.2109 4.5589 4.5617 5.6081 5.6094 6.1328 6.1442 7.6537 7.6682 8.1210 8.1226 8.7067 8.7126 8.9521 8.9768 9.3647 9.3990 10.1331 10.1494 10.1789 10.2084 10.3232 10.3283 10.4643 10.4757 10.5949 10.5953 10.6808 10.6841 10.6978 10.7270 10.9046 10.9408 10.9633 10.9654 11.1648 11.1864 11.9981 12.0273 12.0290 12.0299 12.2097 12.2245 12.2529 12.2764 12.3363 12.3683 12.5807 12.6327 12.7014 12.7213 13.1214 13.1465 14.6914 14.7022 14.8557 14.9017 15.1202 15.1924 15.2915 15.3167 16.1574 16.1621 16.5886 16.5929 16.6892 16.7274 k = 0.0000 0.1571-0.0000 ( 3014 PWs) bands (ev): 0.2414 0.2414 4.4486 4.4512 5.6293 5.6307 6.1850 6.1968 7.6359 7.6502 8.1320 8.1337 8.7402 8.7455 8.9210 8.9444 9.3286 9.3635 10.1221 10.1535 10.1748 10.2524 10.3293 10.3347 10.4912 10.5006 10.5879 10.5887 10.6809 10.6855 10.6987 10.7284 10.9055 10.9358 10.9614 10.9627 11.1808 11.2003 11.9748 12.0032 12.0169 12.0187 12.2016 12.2192 12.2531 12.2789 12.3428 12.3726 12.5766 12.6287 12.6896 12.7126 13.1804 13.2040 14.6441 14.6527 14.7996 14.8485 15.0398 15.1153 15.2514 15.2738 16.2015 16.2050 16.6247 16.6296 16.7265 16.7632 k = 0.0000 0.1714-0.0000 ( 3014 PWs) bands (ev): 0.2748 0.2748 4.3365 4.3388 5.6523 5.6539 6.2362 6.2482 7.6214 7.6354 8.1431 8.1449 8.7287 8.7363 8.9346 8.9538 9.2921 9.3273 10.0929 10.1258 10.2125 10.2915 10.3358 10.3418 10.5177 10.5252 10.5826 10.5851 10.6808 10.6868 10.6995 10.7295 10.9071 10.9289 10.9579 10.9648 11.1953 11.2130 11.9467 11.9765 12.0087 12.0089 12.1930 12.2133 12.2535 12.2814 12.3457 12.3736 12.5745 12.6266 12.6771 12.7030 13.2419 13.2643 14.6015 14.6077 14.7445 14.7967 14.9608 15.0400 15.2131 15.2328 16.2454 16.2477 16.6619 16.6674 16.7625 16.7977 k = 0.0000 0.1857-0.0000 ( 3014 PWs) bands (ev): 0.3110 0.3110 4.2228 4.2249 5.6773 5.6791 6.2864 6.2987 7.6098 7.6235 8.1538 8.1558 8.6847 8.6941 8.9803 8.9958 9.2556 9.2908 10.0620 10.0961 10.2457 10.3237 10.3426 10.3500 10.5427 10.5490 10.5810 10.5852 10.6805 10.6881 10.7003 10.7305 10.9086 10.9208 10.9551 10.9686 11.2083 11.2243 11.9160 11.9484 12.0000 12.0025 12.1841 12.2068 12.2540 12.2841 12.3453 12.3718 12.5738 12.6260 12.6638 12.6925 13.3043 13.3259 14.5638 14.5674 14.6905 14.7466 14.8839 14.9672 15.1792 15.1962 16.2894 16.2906 16.7003 16.7064 16.7977 16.8313 k = 0.0000 0.2000-0.0000 ( 3014 PWs) bands (ev): 0.3501 0.3501 4.1079 4.1098 5.7042 5.7061 6.3358 6.3484 7.6008 7.6140 8.1640 8.1660 8.6301 8.6397 9.0365 9.0500 9.2193 9.2543 10.0295 10.0645 10.2736 10.3459 10.3496 10.3611 10.5620 10.5716 10.5876 10.5906 10.6800 10.6893 10.7011 10.7311 10.9095 10.9122 10.9540 10.9733 11.2198 11.2342 11.8834 11.9190 11.9916 11.9973 12.1748 12.1998 12.2547 12.2868 12.3422 12.3677 12.5738 12.6264 12.6500 12.6813 13.3659 13.3869 14.5310 14.5318 14.6376 14.6981 14.8094 14.8974 15.1524 15.1667 16.3336 16.3336 16.7398 16.7466 16.8323 16.8643 k = 0.0000 0.2143-0.0000 ( 3014 PWs) bands (ev): 0.3920 0.3920 3.9920 3.9937 5.7330 5.7350 6.3843 6.3972 7.5940 7.6066 8.1731 8.1751 8.5732 8.5821 9.0950 9.1077 9.1840 9.2181 9.9960 10.0316 10.2960 10.3563 10.3579 10.3741 10.5725 10.5921 10.6025 10.6060 10.6793 10.6905 10.7019 10.7314 10.9034 10.9093 10.9551 10.9788 11.2296 11.2426 11.8496 11.8888 11.9838 11.9930 12.1652 12.1924 12.2557 12.2895 12.3372 12.3620 12.5737 12.6269 12.6358 12.6695 13.4244 13.4451 14.5006 14.5028 14.5858 14.6513 14.7377 14.8310 15.1359 15.1474 16.3769 16.3781 16.7807 16.7881 16.8665 16.8970 k = 0.0000 0.2286-0.0000 ( 3014 PWs) bands (ev): 0.4368 0.4368 3.8755 3.8770 5.7635 5.7658 6.4321 6.4452 7.5888 7.6007 8.1806 8.1826 8.5170 8.5247 9.1401 9.1630 9.1651 9.1833 9.9618 9.9977 10.3128 10.3623 10.3663 10.3829 10.5815 10.6106 10.6201 10.6282 10.6783 10.6917 10.7033 10.7315 10.8946 10.9075 10.9589 10.9849 11.2376 11.2495 11.8151 11.8580 11.9766 11.9894 12.1554 12.1847 12.2569 12.2921 12.3309 12.3556 12.5728 12.6215 12.6268 12.6575 13.4775 13.4980 14.4730 14.4785 14.5351 14.6055 14.6698 14.7684 15.1331 15.1416 16.4208 16.4230 16.8228 16.8308 16.9005 16.9296 k = 0.0000 0.2429-0.0000 ( 3006 PWs) bands (ev): 0.4843 0.4843 3.7585 3.7598 5.7959 5.7983 6.4790 6.4923 7.5848 7.5957 8.1863 8.1881 8.4630 8.4693 9.1118 9.1465 9.2157 9.2246 9.9274 9.9635 10.3240 10.3679 10.3722 10.3873 10.5929 10.6292 10.6392 10.6491 10.6770 10.6931 10.7059 10.7315 10.8858 10.9042 10.9654 10.9916 11.2441 11.2549 11.7800 11.8269 11.9701 11.9865 12.1455 12.1767 12.2586 12.2944 12.3239 12.3491 12.5703 12.6075 12.6245 12.6465 13.5233 13.5439 14.4478 14.4562 14.4862 14.5597 14.6072 14.7098 15.1473 15.1528 16.4654 16.4686 16.8662 16.8749 16.9346 16.9624 k = 0.0000 0.2571-0.0000 ( 3010 PWs) bands (ev): 0.5346 0.5346 3.6413 3.6425 5.8300 5.8326 6.5249 6.5384 7.5813 7.5912 8.1895 8.1909 8.4124 8.4170 9.0789 9.1121 9.2728 9.2813 9.8933 9.9292 10.3295 10.3729 10.3736 10.3918 10.6063 10.6463 10.6578 10.6657 10.6755 10.6951 10.7112 10.7314 10.8775 10.9000 10.9746 10.9989 11.2488 11.2588 11.7447 11.7957 11.9642 11.9842 12.1354 12.1685 12.2604 12.2962 12.3166 12.3431 12.5650 12.5947 12.6176 12.6387 13.5606 13.5812 14.4233 14.4272 14.4461 14.5113 14.5527 14.6556 15.1810 15.1839 16.5108 16.5150 16.9109 16.9204 16.9689 16.9955 k = 0.0000 0.2714-0.0000 ( 3026 PWs) bands (ev): 0.5877 0.5877 3.5242 3.5253 5.8658 5.8686 6.5696 6.5832 7.5777 7.5863 8.1897 8.1907 8.3663 8.3691 9.0466 9.0783 9.3289 9.3369 9.8603 9.8958 10.3298 10.3677 10.3802 10.3986 10.6207 10.6592 10.6729 10.6753 10.6764 10.6983 10.7205 10.7315 10.8701 10.8954 10.9863 11.0069 11.2519 11.2612 11.7097 11.7649 11.9590 11.9824 12.1253 12.1601 12.2625 12.2970 12.3092 12.3383 12.5556 12.5841 12.6057 12.6339 13.5891 13.6095 14.3820 14.3974 14.4231 14.4601 14.5077 14.6056 15.2356 15.2362 16.5571 16.5622 16.9570 16.9671 17.0035 17.0290 k = 0.0000 0.2857-0.0000 ( 3018 PWs) bands (ev): 0.6435 0.6436 3.4074 3.4083 5.9033 5.9063 6.6127 6.6264 7.5735 7.5806 8.1866 8.1870 8.3258 8.3266 9.0153 9.0451 9.3838 9.3911 9.8291 9.8640 10.3257 10.3590 10.3880 10.4068 10.6347 10.6667 10.6712 10.6804 10.6897 10.7038 10.7322 10.7329 10.8646 10.8913 11.0005 11.0159 11.2534 11.2623 11.6752 11.7347 11.9547 11.9813 12.1153 12.1518 12.2652 12.2967 12.3024 12.3357 12.5427 12.5755 12.5915 12.6299 13.6095 13.6295 14.3340 14.3662 14.4032 14.4126 14.4693 14.5600 15.3097 15.3110 16.6045 16.6104 17.0044 17.0150 17.0384 17.0631 k = 0.0000 0.3000-0.0000 ( 3018 PWs) bands (ev): 0.7021 0.7021 3.2910 3.2918 5.9424 5.9456 6.6539 6.6677 7.5682 7.5736 8.1795 8.1797 8.2904 8.2918 8.9848 9.0124 9.4371 9.4437 9.8005 9.8344 10.3186 10.3480 10.3965 10.4156 10.6456 10.6687 10.6703 10.6810 10.6975 10.7116 10.7363 10.7422 10.8625 10.8884 11.0169 11.0261 11.2534 11.2622 11.6416 11.7053 11.9511 11.9807 12.1054 12.1434 12.2682 12.2952 12.2961 12.3353 12.5276 12.5674 12.5762 12.6253 13.6232 13.6425 14.2862 14.3244 14.3761 14.3834 14.4350 14.5185 15.4028 15.4054 16.6529 16.6597 17.0530 17.0638 17.0738 17.0981 k = 0.0000 0.3143-0.0000 ( 3034 PWs) bands (ev): 0.7634 0.7634 3.1752 3.1760 5.9830 5.9864 6.6923 6.7061 7.5616 7.5652 8.1677 8.1689 8.2614 8.2649 8.9548 8.9797 9.4887 9.4946 9.7751 9.8077 10.3094 10.3356 10.4052 10.4244 10.6490 10.6664 10.6738 10.6795 10.6984 10.7200 10.7411 10.7476 10.8651 10.8878 11.0350 11.0373 11.2518 11.2610 11.6089 11.6768 11.9483 11.9807 12.0954 12.1349 12.2715 12.2906 12.2928 12.3368 12.5114 12.5587 12.5603 12.6194 13.6318 13.6503 14.2391 14.2760 14.3483 14.3637 14.4036 14.4809 15.5130 15.5163 16.7025 16.7101 17.1026 17.1097 17.1126 17.1347 k = 0.0000 0.3286-0.0000 ( 3034 PWs) bands (ev): 0.8273 0.8273 3.0603 3.0610 6.0251 6.0287 6.7273 6.7411 7.5538 7.5556 8.1519 8.1539 8.2403 8.2459 8.9248 8.9468 9.5387 9.5438 9.7538 9.7850 10.2989 10.3223 10.4145 10.4336 10.6445 10.6606 10.6758 10.6822 10.6950 10.7273 10.7455 10.7479 10.8730 10.8903 11.0498 11.0544 11.2490 11.2590 11.5777 11.6496 11.9463 11.9814 12.0856 12.1265 12.2753 12.2860 12.2904 12.3398 12.4949 12.5441 12.5491 12.6122 13.6373 13.6545 14.1929 14.2265 14.3242 14.3445 14.3748 14.4470 15.6374 15.6412 16.7532 16.7615 17.1459 17.1531 17.1583 17.1758 k = 0.0000 0.3429-0.0000 ( 3030 PWs) bands (ev): 0.8939 0.8940 2.9463 2.9470 6.0686 6.0725 6.7578 6.7714 7.5457 7.5457 8.1318 8.1348 8.2273 8.2348 8.8945 8.9133 9.5868 9.5911 9.7371 9.7667 10.2878 10.3086 10.4241 10.4430 10.6352 10.6509 10.6713 10.6892 10.6900 10.7331 10.7443 10.7481 10.8852 10.8964 11.0634 11.0743 11.2450 11.2566 11.5479 11.6237 11.9453 11.9827 12.0761 12.1181 12.2787 12.2832 12.2884 12.3438 12.4783 12.5279 12.5384 12.6037 13.6411 13.6569 14.1480 14.1781 14.3023 14.3262 14.3484 14.4164 15.7731 15.7771 16.8050 16.8141 17.1826 17.1983 17.2038 17.2233 k = 0.0000 0.3571-0.0000 ( 3030 PWs) bands (ev): 0.9631 0.9632 2.8335 2.8341 6.1134 6.1175 6.7825 6.7959 7.5368 7.5386 8.1077 8.1117 8.2223 8.2315 8.8632 8.8786 9.6326 9.6360 9.7255 9.7535 10.2764 10.2948 10.4338 10.4523 10.6219 10.6369 10.6651 10.6817 10.6967 10.7374 10.7389 10.7490 10.9002 10.9056 11.0777 11.0934 11.2401 11.2545 11.5197 11.5989 11.9452 11.9846 12.0667 12.1099 12.2783 12.2857 12.2871 12.3485 12.4618 12.5117 12.5266 12.5938 13.6444 13.6585 14.1045 14.1315 14.2824 14.3093 14.3242 14.3888 15.9174 15.9214 16.8579 16.8677 17.2195 17.2358 17.2541 17.2731 k = 0.0000 0.3714-0.0000 ( 3022 PWs) bands (ev): 1.0350 1.0350 2.7219 2.7224 6.1594 6.1637 6.8002 6.8131 7.5307 7.5341 8.0798 8.0849 8.2250 8.2354 8.8307 8.8426 9.6755 9.6779 9.7195 9.7458 10.2656 10.2814 10.4439 10.4616 10.6045 10.6186 10.6574 10.6732 10.7019 10.7335 10.7406 10.7489 10.9168 10.9175 11.0922 11.1104 11.2348 11.2538 11.4931 11.5753 11.9460 11.9873 12.0576 12.1018 12.2769 12.2869 12.2910 12.3536 12.4456 12.4961 12.5139 12.5829 13.6484 13.6606 14.0625 14.0868 14.2643 14.2940 14.3022 14.3641 16.0676 16.0716 16.9117 16.9221 17.2564 17.2727 17.3030 17.3221 k = 0.0000 0.3857-0.0000 ( 3014 PWs) bands (ev): 1.1093 1.1094 2.6118 2.6122 6.2065 6.2111 6.8095 6.8219 7.5292 7.5340 8.0486 8.0547 8.2345 8.2460 8.7965 8.8050 9.7117 9.7135 9.7233 9.7450 10.2559 10.2693 10.4541 10.4704 10.5831 10.5967 10.6482 10.6638 10.7058 10.7288 10.7428 10.7484 10.9314 10.9343 11.1060 11.1234 11.2298 11.2561 11.4680 11.5528 11.9476 11.9905 12.0486 12.0938 12.2764 12.2879 12.2969 12.3588 12.4300 12.4811 12.5005 12.5710 13.6537 13.6639 14.0222 14.0442 14.2484 14.2805 14.2823 14.3420 16.2214 16.2253 16.9662 16.9773 17.2931 17.3092 17.3488 17.3679 k = 0.0000 0.4000-0.0000 ( 3010 PWs) bands (ev): 1.1863 1.1863 2.5031 2.5035 6.2545 6.2593 6.8095 6.8212 7.5338 7.5400 8.0143 8.0213 8.2502 8.2625 8.7607 8.7659 9.7197 9.7364 9.7537 9.7605 10.2485 10.2592 10.4647 10.4783 10.5580 10.5724 10.6378 10.6536 10.7086 10.7251 10.7443 10.7480 10.9465 10.9523 11.1177 11.1308 11.2263 11.2628 11.4443 11.5312 11.9501 11.9944 12.0400 12.0859 12.2769 12.2900 12.3032 12.3637 12.4151 12.4673 12.4865 12.5582 13.6609 13.6688 13.9836 14.0036 14.2345 14.2645 14.2690 14.3224 16.3763 16.3802 17.0212 17.0329 17.3290 17.3449 17.3896 17.4082 k = 0.0000 0.4143-0.0000 ( 3010 PWs) bands (ev): 1.2657 1.2658 2.3960 2.3963 6.3032 6.3083 6.8000 6.8110 7.5453 7.5526 7.9775 7.9854 8.2713 8.2839 8.7233 8.7255 9.7278 9.7460 9.7829 9.7885 10.2444 10.2523 10.4754 10.4826 10.5300 10.5488 10.6265 10.6427 10.7107 10.7223 10.7451 10.7478 10.9625 10.9704 11.1253 11.1319 11.2260 11.2742 11.4217 11.5101 11.9534 11.9988 12.0315 12.0781 12.2784 12.2933 12.3097 12.3676 12.4013 12.4556 12.4721 12.5449 13.6702 13.6759 13.9469 13.9650 14.2227 14.2488 14.2595 14.3051 16.5302 16.5341 17.0764 17.0887 17.3634 17.3792 17.4228 17.4404 k = 0.0000 0.4286-0.0000 ( 3010 PWs) bands (ev): 1.3475 1.3476 2.2906 2.2909 6.3525 6.3579 6.7815 6.7918 7.5639 7.5722 7.9387 7.9473 8.2970 8.3098 8.6839 8.6845 9.7391 9.7567 9.8061 9.8130 10.2448 10.2499 10.4766 10.4846 10.5013 10.5336 10.6144 10.6312 10.7120 10.7202 10.7455 10.7477 10.9791 10.9886 11.1274 11.1274 11.2306 11.2897 11.4002 11.4897 11.9574 12.0037 12.0233 12.0704 12.2811 12.2978 12.3160 12.3694 12.3892 12.4471 12.4577 12.5314 13.6819 13.6852 13.9121 13.9285 14.2132 14.2352 14.2521 14.2900 16.6807 16.6850 17.1312 17.1441 17.3951 17.4107 17.4460 17.4618 k = 0.0000 0.4429-0.0000 ( 3010 PWs) bands (ev): 1.4318 1.4319 2.1870 2.1873 6.4021 6.4079 6.7551 6.7648 7.5888 7.5979 7.8983 7.9075 8.3266 8.3393 8.6416 8.6446 9.7530 9.7697 9.8220 9.8307 10.2510 10.2534 10.4551 10.4650 10.5000 10.5326 10.6017 10.6194 10.7130 10.7186 10.7457 10.7477 10.9961 11.0067 11.1189 11.1237 11.2400 11.3079 11.3796 11.4695 11.9621 12.0091 12.0152 12.0628 12.2849 12.3035 12.3211 12.3680 12.3798 12.4431 12.4433 12.5177 13.6960 13.6970 13.8793 13.8940 14.2058 14.2236 14.2467 14.2771 16.8259 16.8308 17.1848 17.1986 17.4215 17.4369 17.4573 17.4709 k = 0.0000 0.4571-0.0000 ( 3002 PWs) bands (ev): 1.5185 1.5186 2.0853 2.0856 6.4518 6.4579 6.7222 6.7311 7.6191 7.6288 7.8568 7.8665 8.3595 8.3719 8.5989 8.6041 9.7687 9.7846 9.8301 9.8406 10.2636 10.2636 10.4255 10.4323 10.5114 10.5394 10.5886 10.6073 10.7136 10.7174 10.7460 10.7475 11.0134 11.0247 11.1076 11.1154 11.2533 11.3276 11.3599 11.4495 11.9674 12.0076 12.0150 12.0555 12.2897 12.3104 12.3234 12.3630 12.3749 12.4292 12.4441 12.5042 13.7114 13.7126 13.8485 13.8616 14.2006 14.2141 14.2434 14.2662 16.9637 16.9697 17.2363 17.2513 17.4382 17.4520 17.4562 17.4676 k = 0.0000 0.4714-0.0000 ( 3010 PWs) bands (ev): 1.6075 1.6076 1.9855 1.9858 6.5010 6.5075 6.6839 6.6923 7.6536 7.6637 7.8147 7.8248 8.3952 8.4070 8.5563 8.5633 9.7849 9.8002 9.8308 9.8427 10.2804 10.2823 10.3933 10.3987 10.5235 10.5489 10.5754 10.5951 10.7142 10.7165 10.7463 10.7474 11.0304 11.0421 11.0942 11.1039 11.2688 11.3406 11.3479 11.4294 11.9730 12.0000 12.0210 12.0482 12.2954 12.3182 12.3213 12.3550 12.3760 12.4157 12.4493 12.4912 13.7282 13.7317 13.8199 13.8312 14.1975 14.2066 14.2422 14.2573 17.0916 17.0999 17.2835 17.3011 17.4362 17.4435 17.4462 17.4518 k = 0.0000 0.4857-0.0000 ( 3022 PWs) bands (ev): 1.6987 1.6989 1.8878 1.8880 6.5495 6.5564 6.6417 6.6495 7.6914 7.7017 7.7727 7.7830 8.4332 8.4442 8.5142 8.5228 9.8007 9.8153 9.8251 9.8382 10.3032 10.3064 10.3611 10.3659 10.5360 10.5596 10.5620 10.5829 10.7146 10.7157 10.7465 10.7470 11.0472 11.0590 11.0794 11.0902 11.2856 11.3217 11.3683 11.4092 11.9792 11.9927 12.0274 12.0410 12.3019 12.3158 12.3269 12.3458 12.3821 12.4030 12.4573 12.4788 13.7475 13.7531 13.7934 13.8029 14.1966 14.2011 14.2429 14.2505 17.2060 17.2187 17.3185 17.3452 17.4067 17.4092 17.4215 17.4253 k = 0.0000 0.5000-0.0000 ( 3026 PWs) bands (ev): 1.7922 1.7922 1.7924 1.7924 6.5966 6.5966 6.6040 6.6040 7.7313 7.7313 7.7417 7.7417 8.4730 8.4730 8.4829 8.4829 9.8146 9.8146 9.8285 9.8285 10.3305 10.3305 10.3347 10.3347 10.5489 10.5489 10.5710 10.5710 10.7151 10.7151 10.7468 10.7468 11.0636 11.0636 11.0750 11.0750 11.3034 11.3034 11.3888 11.3888 11.9857 11.9857 12.0341 12.0341 12.3089 12.3089 12.3362 12.3362 12.3916 12.3916 12.4673 12.4673 13.7693 13.7693 13.7769 13.7769 14.1978 14.1978 14.2457 14.2457 17.2961 17.2961 17.3206 17.3206 17.3931 17.3931 17.3982 17.3982 k = 0.0000 0.5000-0.0000 ( 3026 PWs) bands (ev): 1.7922 1.7922 1.7924 1.7924 6.5966 6.5966 6.6040 6.6040 7.7313 7.7313 7.7417 7.7417 8.4730 8.4730 8.4829 8.4829 9.8146 9.8146 9.8285 9.8285 10.3305 10.3305 10.3347 10.3347 10.5489 10.5489 10.5710 10.5710 10.7151 10.7151 10.7468 10.7468 11.0636 11.0636 11.0750 11.0750 11.3034 11.3034 11.3888 11.3888 11.9857 11.9857 12.0341 12.0341 12.3089 12.3089 12.3362 12.3362 12.3916 12.3916 12.4673 12.4673 13.7693 13.7693 13.7769 13.7769 14.1978 14.1978 14.2457 14.2457 17.2961 17.2961 17.3206 17.3206 17.3931 17.3931 17.3982 17.3982 k = 0.0143 0.5000-0.0000 ( 3026 PWs) bands (ev): 1.7935 1.7935 1.7937 1.7937 6.5911 6.5911 6.5985 6.5985 7.7307 7.7307 7.7410 7.7410 8.4768 8.4768 8.4870 8.4870 9.8133 9.8133 9.8273 9.8273 10.3296 10.3296 10.3359 10.3359 10.5492 10.5492 10.5708 10.5708 10.7164 10.7164 10.7473 10.7473 11.0638 11.0638 11.0756 11.0756 11.3038 11.3038 11.3892 11.3892 11.9851 11.9852 12.0333 12.0333 12.3095 12.3095 12.3363 12.3363 12.3915 12.3915 12.4665 12.4665 13.7694 13.7694 13.7769 13.7769 14.2019 14.2019 14.2497 14.2497 17.2643 17.2643 17.2853 17.2853 17.3820 17.3821 17.4037 17.4038 k = 0.0286 0.5000-0.0000 ( 3002 PWs) bands (ev): 1.7975 1.7975 1.7977 1.7977 6.5749 6.5749 6.5821 6.5821 7.7289 7.7289 7.7392 7.7392 8.4878 8.4879 8.4989 8.4989 9.8097 9.8097 9.8240 9.8240 10.3279 10.3279 10.3383 10.3384 10.5504 10.5504 10.5704 10.5704 10.7202 10.7202 10.7491 10.7491 11.0646 11.0646 11.0774 11.0774 11.3053 11.3053 11.3907 11.3907 11.9836 11.9836 12.0313 12.0313 12.3112 12.3112 12.3369 12.3369 12.3913 12.3913 12.4642 12.4642 13.7695 13.7695 13.7769 13.7769 14.2144 14.2144 14.2617 14.2617 17.1927 17.1927 17.2092 17.2093 17.3519 17.3519 17.3816 17.3816 k = 0.0429 0.5000-0.0000 ( 3000 PWs) bands (ev): 1.8041 1.8041 1.8043 1.8044 6.5480 6.5480 6.5551 6.5551 7.7266 7.7266 7.7368 7.7368 8.5055 8.5055 8.5177 8.5177 9.8037 9.8038 9.8184 9.8185 10.3256 10.3256 10.3406 10.3406 10.5524 10.5525 10.5704 10.5704 10.7259 10.7259 10.7517 10.7518 11.0659 11.0659 11.0799 11.0799 11.3076 11.3076 11.3928 11.3928 11.9808 11.9808 12.0278 12.0278 12.3135 12.3135 12.3372 12.3373 12.3913 12.3913 12.4604 12.4604 13.7694 13.7695 13.7769 13.7769 14.2350 14.2350 14.2816 14.2816 17.1035 17.1035 17.1175 17.1176 17.2970 17.2970 17.3283 17.3283 k = 0.0571 0.5000-0.0000 ( 2992 PWs) bands (ev): 1.8134 1.8134 1.8137 1.8137 6.5108 6.5108 6.5178 6.5178 7.7247 7.7247 7.7346 7.7346 8.5288 8.5289 8.5423 8.5423 9.7958 9.7959 9.8110 9.8111 10.3222 10.3222 10.3418 10.3418 10.5559 10.5560 10.5718 10.5718 10.7331 10.7331 10.7551 10.7551 11.0677 11.0677 11.0833 11.0833 11.3107 11.3107 11.3957 11.3957 11.9770 11.9770 12.0231 12.0231 12.3159 12.3159 12.3376 12.3377 12.3922 12.3922 12.4556 12.4556 13.7689 13.7689 13.7766 13.7767 14.2638 14.2638 14.3096 14.3096 17.0058 17.0059 17.0186 17.0186 17.2243 17.2244 17.2545 17.2546 k = 0.0714 0.5000-0.0000 ( 2996 PWs) bands (ev): 1.8253 1.8254 1.8256 1.8256 6.4640 6.4640 6.4708 6.4708 7.7240 7.7240 7.7336 7.7336 8.5566 8.5566 8.5712 8.5712 9.7863 9.7863 9.8020 9.8020 10.3170 10.3170 10.3411 10.3411 10.5611 10.5612 10.5755 10.5756 10.7413 10.7414 10.7590 10.7590 11.0699 11.0699 11.0871 11.0871 11.3147 11.3147 11.3993 11.3993 11.9721 11.9721 12.0171 12.0172 12.3166 12.3166 12.3385 12.3385 12.3944 12.3945 12.4503 12.4503 13.7676 13.7676 13.7761 13.7762 14.3006 14.3006 14.3456 14.3456 16.9037 16.9037 16.9159 16.9159 17.1410 17.1410 17.1692 17.1692 k = 0.0857 0.5000-0.0000 ( 2998 PWs) bands (ev): 1.8399 1.8399 1.8402 1.8402 6.4082 6.4082 6.4149 6.4149 7.7253 7.7253 7.7345 7.7345 8.5875 8.5875 8.6033 8.6033 9.7753 9.7754 9.7917 9.7917 10.3096 10.3097 10.3377 10.3378 10.5684 10.5684 10.5824 10.5824 10.7502 10.7502 10.7635 10.7635 11.0726 11.0726 11.0913 11.0913 11.3194 11.3194 11.4038 11.4038 11.9662 11.9662 12.0101 12.0101 12.3140 12.3141 12.3410 12.3410 12.3980 12.3980 12.4455 12.4456 13.7654 13.7654 13.7751 13.7752 14.3452 14.3452 14.3896 14.3896 16.7993 16.7993 16.8116 16.8116 17.0520 17.0520 17.0783 17.0783 k = 0.1000 0.5000-0.0000 ( 3004 PWs) bands (ev): 1.8571 1.8571 1.8574 1.8574 6.3442 6.3443 6.3507 6.3507 7.7290 7.7290 7.7378 7.7378 8.6205 8.6206 8.6373 8.6374 9.7635 9.7635 9.7803 9.7803 10.2999 10.2999 10.3314 10.3314 10.5779 10.5780 10.5923 10.5924 10.7590 10.7591 10.7688 10.7688 11.0754 11.0754 11.0955 11.0955 11.3250 11.3250 11.4089 11.4089 11.9595 11.9595 12.0020 12.0020 12.3080 12.3081 12.3445 12.3445 12.4020 12.4021 12.4429 12.4430 13.7623 13.7623 13.7735 13.7735 14.3972 14.3972 14.4412 14.4412 16.6939 16.6939 16.7067 16.7067 16.9612 16.9612 16.9857 16.9857 k = 0.1143 0.5000-0.0000 ( 3000 PWs) bands (ev): 1.8769 1.8769 1.8772 1.8773 6.2730 6.2731 6.2794 6.2794 7.7356 7.7356 7.7439 7.7439 8.6547 8.6548 8.6725 8.6725 9.7509 9.7509 9.7682 9.7682 10.2878 10.2878 10.3221 10.3222 10.5898 10.5898 10.6049 10.6049 10.7667 10.7667 10.7755 10.7755 11.0785 11.0785 11.0997 11.0997 11.3313 11.3313 11.4147 11.4147 11.9521 11.9521 11.9931 11.9931 12.2995 12.2995 12.3471 12.3472 12.4060 12.4060 12.4446 12.4446 13.7581 13.7582 13.7710 13.7710 14.4562 14.4562 14.5000 14.5000 16.5885 16.5885 16.6021 16.6021 16.8713 16.8713 16.8945 16.8945 k = 0.1286 0.5000-0.0000 ( 3000 PWs) bands (ev): 1.8992 1.8993 1.8996 1.8997 6.1954 6.1954 6.2016 6.2016 7.7452 7.7452 7.7530 7.7530 8.6893 8.6893 8.7079 8.7079 9.7378 9.7378 9.7554 9.7555 10.2734 10.2734 10.3101 10.3101 10.6036 10.6036 10.6195 10.6195 10.7726 10.7726 10.7841 10.7841 11.0816 11.0816 11.1039 11.1039 11.3382 11.3382 11.4212 11.4212 11.9439 11.9439 11.9835 11.9835 12.2891 12.2891 12.3467 12.3467 12.4108 12.4108 12.4511 12.4512 13.7530 13.7530 13.7675 13.7675 14.5214 14.5214 14.5653 14.5653 16.4836 16.4837 16.4984 16.4984 16.7845 16.7845 16.8067 16.8068 k = 0.1429 0.5000-0.0000 ( 3006 PWs) bands (ev): 1.9242 1.9242 1.9246 1.9246 6.1123 6.1123 6.1182 6.1183 7.7578 7.7578 7.7652 7.7652 8.7237 8.7237 8.7430 8.7430 9.7243 9.7243 9.7422 9.7422 10.2570 10.2570 10.2956 10.2956 10.6189 10.6190 10.6354 10.6354 10.7773 10.7773 10.7936 10.7936 11.0847 11.0847 11.1078 11.1078 11.3456 11.3456 11.4281 11.4281 11.9349 11.9350 11.9730 11.9730 12.2773 12.2774 12.3418 12.3418 12.4183 12.4183 12.4617 12.4617 13.7468 13.7468 13.7629 13.7630 14.5919 14.5919 14.6363 14.6363 16.3799 16.3799 16.3961 16.3961 16.7026 16.7027 16.7244 16.7244 k = 0.1571 0.5000-0.0000 ( 3016 PWs) bands (ev): 1.9516 1.9516 1.9521 1.9521 6.0244 6.0244 6.0302 6.0302 7.7734 7.7734 7.7803 7.7803 8.7572 8.7572 8.7772 8.7773 9.7106 9.7107 9.7286 9.7286 10.2388 10.2388 10.2792 10.2792 10.6353 10.6354 10.6520 10.6521 10.7816 10.7816 10.8033 10.8033 11.0879 11.0879 11.1117 11.1117 11.3535 11.3535 11.4354 11.4354 11.9254 11.9254 11.9619 11.9619 12.2646 12.2646 12.3330 12.3330 12.4290 12.4290 12.4750 12.4750 13.7396 13.7396 13.7573 13.7573 14.6664 14.6664 14.7118 14.7118 16.2777 16.2777 16.2956 16.2956 16.6274 16.6274 16.6490 16.6490 k = 0.1714 0.5000-0.0000 ( 3012 PWs) bands (ev): 1.9816 1.9816 1.9821 1.9821 5.9327 5.9327 5.9383 5.9383 7.7919 7.7919 7.7984 7.7984 8.7897 8.7897 8.8104 8.8104 9.6969 9.6969 9.7147 9.7148 10.2193 10.2193 10.2613 10.2613 10.6523 10.6523 10.6688 10.6688 10.7858 10.7858 10.8129 10.8130 11.0913 11.0913 11.1157 11.1157 11.3617 11.3617 11.4430 11.4430 11.9153 11.9153 11.9502 11.9502 12.2513 12.2513 12.3216 12.3217 12.4427 12.4427 12.4904 12.4904 13.7314 13.7314 13.7506 13.7506 14.7435 14.7435 14.7902 14.7903 16.1777 16.1777 16.1976 16.1976 16.5606 16.5606 16.5824 16.5824 k = 0.1857 0.5000-0.0000 ( 3010 PWs) bands (ev): 2.0140 2.0140 2.0146 2.0146 5.8377 5.8377 5.8432 5.8432 7.8131 7.8131 7.8193 7.8193 8.8208 8.8208 8.8420 8.8420 9.6829 9.6829 9.7005 9.7005 10.1985 10.1985 10.2421 10.2421 10.6694 10.6694 10.6850 10.6850 10.7901 10.7902 10.8224 10.8224 11.0949 11.0949 11.1198 11.1198 11.3701 11.3701 11.4508 11.4508 11.9046 11.9046 11.9379 11.9379 12.2376 12.2376 12.3086 12.3086 12.4584 12.4584 12.5073 12.5073 13.7222 13.7222 13.7428 13.7428 14.8210 14.8211 14.8696 14.8696 16.0803 16.0803 16.1027 16.1027 16.5040 16.5041 16.5264 16.5264 k = 0.2000 0.5000-0.0000 ( 3002 PWs) bands (ev): 2.0489 2.0489 2.0495 2.0495 5.7402 5.7403 5.7456 5.7456 7.8370 7.8370 7.8429 7.8429 8.8503 8.8503 8.8721 8.8721 9.6688 9.6688 9.6859 9.6859 10.1768 10.1768 10.2218 10.2219 10.6862 10.6862 10.7000 10.7000 10.7950 10.7950 10.8316 10.8316 11.0990 11.0990 11.1244 11.1245 11.3785 11.3785 11.4587 11.4587 11.8933 11.8934 11.9251 11.9251 12.2237 12.2238 12.2945 12.2945 12.4760 12.4760 12.5256 12.5256 13.7119 13.7119 13.7338 13.7338 14.8965 14.8966 14.9472 14.9472 15.9862 15.9862 16.0115 16.0115 16.4600 16.4600 16.4831 16.4831 k = 0.2143 0.5000-0.0000 ( 3010 PWs) bands (ev): 2.0861 2.0861 2.0867 2.0868 5.6408 5.6408 5.6459 5.6459 7.8633 7.8634 7.8690 7.8690 8.8780 8.8780 8.9003 8.9003 9.6543 9.6544 9.6707 9.6707 10.1543 10.1543 10.2008 10.2008 10.7020 10.7020 10.7130 10.7131 10.8008 10.8008 10.8404 10.8405 11.1037 11.1037 11.1296 11.1296 11.3867 11.3867 11.4662 11.4663 11.8814 11.8815 11.9117 11.9117 12.2097 12.2097 12.2796 12.2797 12.4949 12.4949 12.5448 12.5448 13.7007 13.7007 13.7237 13.7237 14.9667 14.9667 15.0197 15.0198 15.8961 15.8962 15.9247 15.9247 16.4311 16.4312 16.4549 16.4550 k = 0.2286 0.5000-0.0000 ( 3014 PWs) bands (ev): 2.1256 2.1257 2.1263 2.1264 5.5399 5.5399 5.5448 5.5449 7.8920 7.8920 7.8974 7.8974 8.9039 8.9040 8.9267 8.9267 9.6395 9.6395 9.6549 9.6549 10.1313 10.1313 10.1792 10.1792 10.7162 10.7163 10.7240 10.7241 10.8080 10.8080 10.8493 10.8493 11.1094 11.1094 11.1357 11.1357 11.3947 11.3947 11.4735 11.4735 11.8690 11.8690 11.8977 11.8977 12.1958 12.1958 12.2645 12.2645 12.5150 12.5150 12.5650 12.5650 13.6884 13.6884 13.7125 13.7125 15.0278 15.0279 15.0834 15.0834 15.8111 15.8111 15.8434 15.8434 16.4204 16.4205 16.4448 16.4448 k = 0.2429 0.5000-0.0000 ( 3016 PWs) bands (ev): 2.1674 2.1674 2.1682 2.1682 5.4380 5.4381 5.4428 5.4429 7.9229 7.9229 7.9281 7.9281 8.9280 8.9280 8.9512 8.9512 9.6240 9.6241 9.6382 9.6382 10.1081 10.1081 10.1572 10.1572 10.7269 10.7269 10.7342 10.7342 10.8169 10.8169 10.8586 10.8586 11.1162 11.1163 11.1428 11.1428 11.4023 11.4023 11.4803 11.4803 11.8560 11.8560 11.8832 11.8832 12.1821 12.1822 12.2492 12.2493 12.5362 12.5362 12.5860 12.5860 13.6751 13.6751 13.7002 13.7002 15.0762 15.0763 15.1339 15.1340 15.7321 15.7321 15.7684 15.7684 16.4308 16.4309 16.4552 16.4552 k = 0.2571 0.5000-0.0000 ( 3016 PWs) bands (ev): 2.2114 2.2114 2.2122 2.2122 5.3357 5.3357 5.3403 5.3404 7.9557 7.9557 7.9608 7.9609 8.9501 8.9501 8.9737 8.9737 9.6078 9.6078 9.6206 9.6206 10.0849 10.0849 10.1351 10.1351 10.7325 10.7326 10.7444 10.7445 10.8273 10.8274 10.8686 10.8686 11.1244 11.1245 11.1511 11.1511 11.4093 11.4093 11.4864 11.4865 11.8424 11.8424 11.8681 11.8681 12.1688 12.1689 12.2340 12.2341 12.5583 12.5583 12.6076 12.6076 13.6608 13.6608 13.6867 13.6868 15.1087 15.1087 15.1677 15.1677 15.6606 15.6607 15.7007 15.7007 16.4644 16.4645 16.4881 16.4881 k = 0.2714 0.5000-0.0000 ( 3018 PWs) bands (ev): 2.2574 2.2574 2.2583 2.2583 5.2333 5.2333 5.2377 5.2378 7.9905 7.9905 7.9955 7.9955 8.9702 8.9702 8.9942 8.9942 9.5905 9.5906 9.6018 9.6018 10.0620 10.0620 10.1130 10.1131 10.7350 10.7350 10.7531 10.7531 10.8391 10.8391 10.8797 10.8797 11.1340 11.1341 11.1605 11.1606 11.4157 11.4157 11.4918 11.4918 11.8283 11.8283 11.8525 11.8525 12.1560 12.1561 12.2190 12.2190 12.5811 12.5811 12.6297 12.6297 13.6456 13.6456 13.6722 13.6722 15.1236 15.1236 15.1825 15.1825 15.5981 15.5981 15.6408 15.6408 16.5218 16.5219 16.5440 16.5441 k = 0.2857 0.5000-0.0000 ( 3022 PWs) bands (ev): 2.3054 2.3054 2.3063 2.3063 5.1312 5.1313 5.1355 5.1355 8.0269 8.0269 8.0319 8.0319 8.9885 8.9885 9.0129 9.0129 9.5719 9.5720 9.5817 9.5817 10.0397 10.0397 10.0913 10.0913 10.7354 10.7354 10.7592 10.7592 10.8521 10.8521 10.8922 10.8922 11.1450 11.1450 11.1711 11.1712 11.4212 11.4212 11.4961 11.4962 11.8137 11.8137 11.8365 11.8365 12.1438 12.1438 12.2042 12.2043 12.6045 12.6045 12.6523 12.6523 13.6294 13.6294 13.6566 13.6566 15.1215 15.1215 15.1783 15.1783 15.5453 15.5453 15.5888 15.5889 16.6017 16.6017 16.6219 16.6219 k = 0.3000 0.5000-0.0000 ( 3018 PWs) bands (ev): 2.3552 2.3553 2.3562 2.3562 5.0299 5.0299 5.0339 5.0340 8.0648 8.0648 8.0698 8.0698 9.0048 9.0048 9.0296 9.0296 9.5518 9.5518 9.5601 9.5602 10.0184 10.0185 10.0701 10.0701 10.7346 10.7346 10.7627 10.7627 10.8660 10.8661 10.9059 10.9059 11.1573 11.1573 11.1829 11.1829 11.4259 11.4259 11.4995 11.4995 11.7987 11.7987 11.8200 11.8200 12.1322 12.1322 12.1899 12.1899 12.6284 12.6284 12.6752 12.6752 13.6123 13.6123 13.6400 13.6400 15.1051 15.1051 15.1577 15.1577 15.5020 15.5020 15.5442 15.5442 16.7010 16.7010 16.7189 16.7189 k = 0.3143 0.5000-0.0000 ( 3030 PWs) bands (ev): 2.4067 2.4067 2.4077 2.4077 4.9296 4.9296 4.9335 4.9335 8.1041 8.1041 8.1091 8.1091 9.0191 9.0191 9.0444 9.0444 9.5295 9.5296 9.5371 9.5371 9.9984 9.9984 10.0495 10.0495 10.7330 10.7330 10.7638 10.7638 10.8808 10.8808 10.9205 10.9205 11.1707 11.1707 11.1957 11.1957 11.4296 11.4296 11.5016 11.5016 11.7832 11.7832 11.8032 11.8032 12.1212 12.1213 12.1759 12.1759 12.6527 12.6527 12.6982 12.6982 13.5944 13.5944 13.6224 13.6224 15.0781 15.0782 15.1251 15.1251 15.4665 15.4665 15.5056 15.5056 16.8163 16.8163 16.8318 16.8318 k = 0.3286 0.5000-0.0000 ( 3030 PWs) bands (ev): 2.4596 2.4596 2.4606 2.4607 4.8309 4.8309 4.8346 4.8346 8.1444 8.1444 8.1495 8.1495 9.0316 9.0316 9.0574 9.0574 9.5053 9.5053 9.5130 9.5130 9.9799 9.9799 10.0300 10.0300 10.7310 10.7310 10.7631 10.7631 10.8964 10.8964 10.9358 10.9358 11.1851 11.1851 11.2094 11.2094 11.4324 11.4324 11.5026 11.5026 11.7675 11.7675 11.7861 11.7861 12.1111 12.1112 12.1625 12.1626 12.6771 12.6771 12.7212 12.7212 13.5758 13.5758 13.6038 13.6039 15.0445 15.0446 15.0855 15.0855 15.4367 15.4367 15.4719 15.4719 16.9436 16.9436 16.9570 16.9570 k = 0.3429 0.5000-0.0000 ( 3030 PWs) bands (ev): 2.5137 2.5137 2.5147 2.5148 4.7341 4.7341 4.7376 4.7376 8.1855 8.1856 8.1907 8.1908 9.0421 9.0421 9.0685 9.0685 9.4789 9.4790 9.4877 9.4877 9.9632 9.9632 10.0115 10.0116 10.7289 10.7289 10.7610 10.7610 10.9124 10.9124 10.9513 10.9514 11.2003 11.2003 11.2238 11.2239 11.4342 11.4342 11.5023 11.5023 11.7516 11.7517 11.7689 11.7689 12.1019 12.1020 12.1498 12.1499 12.7017 12.7017 12.7441 12.7442 13.5566 13.5566 13.5846 13.5846 15.0076 15.0077 15.0427 15.0427 15.4110 15.4110 15.4420 15.4420 17.0793 17.0793 17.0908 17.0909 k = 0.3571 0.5000-0.0000 ( 3034 PWs) bands (ev): 2.5687 2.5687 2.5697 2.5698 4.6397 4.6398 4.6430 4.6430 8.2273 8.2273 8.2326 8.2326 9.0507 9.0507 9.0777 9.0778 9.4508 9.4508 9.4613 9.4613 9.9483 9.9484 9.9943 9.9944 10.7268 10.7268 10.7580 10.7580 10.9287 10.9287 10.9668 10.9669 11.2160 11.2161 11.2388 11.2388 11.4349 11.4349 11.5006 11.5007 11.7358 11.7358 11.7516 11.7516 12.0936 12.0937 12.1378 12.1378 12.7261 12.7261 12.7667 12.7667 13.5370 13.5370 13.5647 13.5647 14.9699 14.9700 14.9998 14.9998 15.3882 15.3882 15.4153 15.4153 17.2199 17.2199 17.2298 17.2298 k = 0.3714 0.5000-0.0000 ( 3042 PWs) bands (ev): 2.6240 2.6241 2.6251 2.6251 4.5484 4.5484 4.5514 4.5515 8.2691 8.2691 8.2746 8.2746 9.0572 9.0572 9.0851 9.0851 9.4214 9.4214 9.4341 9.4341 9.9355 9.9355 9.9786 9.9786 10.7249 10.7249 10.7544 10.7544 10.9450 10.9450 10.9820 10.9820 11.2322 11.2322 11.2541 11.2541 11.4347 11.4347 11.4977 11.4977 11.7200 11.7200 11.7345 11.7345 12.0862 12.0863 12.1265 12.1265 12.7502 12.7502 12.7887 12.7887 13.5173 13.5173 13.5443 13.5443 14.9332 14.9332 14.9584 14.9584 15.3678 15.3678 15.3913 15.3913 17.3618 17.3618 17.3703 17.3704 k = 0.3857 0.5000-0.0000 ( 3040 PWs) bands (ev): 2.6793 2.6793 2.6804 2.6804 4.4606 4.4607 4.4635 4.4635 8.3107 8.3107 8.3164 8.3164 9.0618 9.0618 9.0905 9.0905 9.3915 9.3916 9.4065 9.4065 9.9247 9.9247 9.9642 9.9643 10.7233 10.7233 10.7505 10.7505 10.9612 10.9613 10.9966 10.9966 11.2485 11.2485 11.2696 11.2697 11.4337 11.4337 11.4935 11.4935 11.7047 11.7047 11.7178 11.7178 12.0798 12.0799 12.1160 12.1160 12.7738 12.7738 12.8099 12.8099 13.4978 13.4979 13.5239 13.5239 14.8988 14.8988 14.9199 14.9199 15.3497 15.3498 15.3699 15.3699 17.5012 17.5012 17.5087 17.5087 k = 0.4000 0.5000-0.0000 ( 3040 PWs) bands (ev): 2.7337 2.7337 2.7348 2.7348 4.3774 4.3774 4.3800 4.3801 8.3516 8.3516 8.3573 8.3573 9.0642 9.0642 9.0936 9.0936 9.3621 9.3621 9.3791 9.3791 9.9158 9.9158 9.9514 9.9514 10.7221 10.7221 10.7466 10.7466 10.9771 10.9771 11.0103 11.0103 11.2647 11.2648 11.2851 11.2851 11.4318 11.4318 11.4880 11.4880 11.6900 11.6900 11.7017 11.7017 12.0744 12.0745 12.1064 12.1064 12.7966 12.7966 12.8299 12.8300 13.4789 13.4790 13.5036 13.5037 14.8674 14.8674 14.8850 14.8850 15.3338 15.3339 15.3510 15.3510 17.6340 17.6341 17.6406 17.6406 k = 0.4143 0.5000-0.0000 ( 3036 PWs) bands (ev): 2.7863 2.7863 2.7874 2.7874 4.2997 4.2997 4.3020 4.3021 8.3909 8.3910 8.3967 8.3967 9.0645 9.0645 9.0941 9.0941 9.3342 9.3342 9.3528 9.3528 9.9088 9.9088 9.9400 9.9400 10.7214 10.7214 10.7428 10.7428 10.9923 10.9923 11.0226 11.0227 11.2808 11.2808 11.3003 11.3003 11.4294 11.4294 11.4814 11.4814 11.6762 11.6762 11.6865 11.6865 12.0701 12.0701 12.0977 12.0977 12.8183 12.8183 12.8485 12.8485 13.4611 13.4611 13.4839 13.4840 14.8397 14.8397 14.8541 14.8541 15.3201 15.3201 15.3344 15.3345 17.7560 17.7560 17.7618 17.7619 k = 0.4286 0.5000-0.0000 ( 3036 PWs) bands (ev): 2.8359 2.8360 2.8369 2.8370 4.2287 4.2287 4.2308 4.2308 8.4280 8.4280 8.4336 8.4336 9.0629 9.0629 9.0918 9.0918 9.3093 9.3093 9.3285 9.3285 9.9035 9.9036 9.9300 9.9300 10.7210 10.7210 10.7391 10.7391 11.0065 11.0065 11.0334 11.0334 11.2962 11.2962 11.3148 11.3148 11.4265 11.4265 11.4737 11.4737 11.6637 11.6638 11.6725 11.6726 12.0667 12.0667 12.0898 12.0899 12.8384 12.8384 12.8650 12.8650 13.4449 13.4449 13.4654 13.4654 14.8160 14.8160 14.8275 14.8275 15.3086 15.3086 15.3203 15.3204 17.8630 17.8630 17.8682 17.8682 k = 0.4429 0.5000-0.0000 ( 3032 PWs) bands (ev): 2.8810 2.8811 2.8819 2.8820 4.1662 4.1662 4.1679 4.1680 8.4617 8.4617 8.4669 8.4669 9.0599 9.0599 9.0864 9.0864 9.2886 9.2886 9.3070 9.3070 9.9000 9.9000 9.9214 9.9214 10.7211 10.7211 10.7357 10.7357 11.0195 11.0195 11.0422 11.0422 11.3108 11.3108 11.3282 11.3282 11.4237 11.4237 11.4651 11.4651 11.6529 11.6529 11.6601 11.6602 12.0643 12.0644 12.0829 12.0830 12.8566 12.8566 12.8790 12.8790 13.4308 13.4309 13.4484 13.4484 14.7965 14.7965 14.8055 14.8055 15.2994 15.2994 15.3086 15.3086 17.9519 17.9520 17.9564 17.9564 k = 0.4571 0.5000-0.0000 ( 3032 PWs) bands (ev): 2.9196 2.9197 2.9204 2.9204 4.1140 4.1141 4.1154 4.1155 8.4906 8.4907 8.4952 8.4952 9.0562 9.0562 9.0786 9.0786 9.2733 9.2733 9.2891 9.2891 9.8979 9.8979 9.9141 9.9142 10.7215 10.7216 10.7326 10.7326 11.0308 11.0308 11.0486 11.0486 11.3241 11.3241 11.3396 11.3396 11.4215 11.4215 11.4558 11.4558 11.6441 11.6441 11.6497 11.6497 12.0631 12.0631 12.0771 12.0771 12.8724 12.8724 12.8899 12.8899 13.4197 13.4197 13.4336 13.4336 14.7815 14.7815 14.7880 14.7880 15.2924 15.2924 15.2992 15.2993 18.0210 18.0210 18.0245 18.0246 k = 0.4714 0.5000-0.0000 ( 3032 PWs) bands (ev): 2.9496 2.9496 2.9501 2.9502 4.0745 4.0746 4.0755 4.0755 8.5134 8.5134 8.5167 8.5168 9.0532 9.0532 9.0694 9.0694 9.2637 9.2637 9.2752 9.2752 9.8973 9.8973 9.9082 9.9082 10.7224 10.7224 10.7299 10.7299 11.0401 11.0402 11.0524 11.0524 11.3356 11.3356 11.3479 11.3479 11.4209 11.4210 11.4461 11.4462 11.6378 11.6378 11.6416 11.6417 12.0628 12.0628 12.0722 12.0722 12.8851 12.8851 12.8972 12.8972 13.4120 13.4120 13.4217 13.4217 14.7709 14.7709 14.7753 14.7753 15.2877 15.2877 15.2922 15.2923 18.0699 18.0699 18.0723 18.0724 k = 0.4857 0.5000-0.0000 ( 3032 PWs) bands (ev): 2.9687 2.9688 2.9690 2.9691 4.0498 4.0499 4.0503 4.0504 8.5283 8.5283 8.5301 8.5301 9.0524 9.0525 9.0609 9.0610 9.2595 9.2595 9.2656 9.2656 9.8980 9.8981 9.9035 9.9035 10.7237 10.7237 10.7275 10.7275 11.0472 11.0472 11.0534 11.0535 11.3447 11.3448 11.3517 11.3518 11.4232 11.4233 11.4368 11.4368 11.6342 11.6343 11.6362 11.6362 12.0636 12.0636 12.0683 12.0683 12.8943 12.8943 12.9004 12.9004 13.4082 13.4082 13.4132 13.4132 14.7650 14.7650 14.7672 14.7672 15.2853 15.2854 15.2876 15.2876 18.0991 18.0991 18.1003 18.1003 k = 0.5000 0.5000-0.0000 ( 3016 PWs) bands (ev): 2.9754 2.9754 2.9755 2.9755 4.0415 4.0415 4.0416 4.0416 8.5341 8.5341 8.5341 8.5341 9.0550 9.0550 9.0550 9.0550 9.2603 9.2603 9.2603 9.2603 9.9002 9.9002 9.9002 9.9002 10.7254 10.7254 10.7255 10.7255 11.0518 11.0518 11.0519 11.0519 11.3506 11.3506 11.3506 11.3506 11.4289 11.4289 11.4289 11.4289 11.6338 11.6338 11.6338 11.6338 12.0655 12.0655 12.0656 12.0656 12.8996 12.8996 12.8996 12.8996 13.4087 13.4087 13.4087 13.4087 14.7638 14.7638 14.7638 14.7638 15.2853 15.2853 15.2854 15.2854 18.1091 18.1091 18.1091 18.1091 k = 0.5000 0.5000-0.0000 ( 3016 PWs) bands (ev): 2.9754 2.9754 2.9755 2.9755 4.0415 4.0415 4.0416 4.0416 8.5341 8.5341 8.5341 8.5341 9.0550 9.0550 9.0550 9.0550 9.2603 9.2603 9.2603 9.2603 9.9002 9.9002 9.9002 9.9002 10.7254 10.7254 10.7255 10.7255 11.0518 11.0518 11.0519 11.0519 11.3506 11.3506 11.3506 11.3506 11.4289 11.4289 11.4289 11.4289 11.6338 11.6338 11.6338 11.6338 12.0655 12.0655 12.0656 12.0656 12.8996 12.8996 12.8996 12.8996 13.4087 13.4087 13.4087 13.4087 14.7638 14.7638 14.7638 14.7638 15.2853 15.2853 15.2854 15.2854 18.1091 18.1091 18.1091 18.1091 k = 0.4900 0.4900-0.0000 ( 3032 PWs) bands (ev): 2.9614 2.9616 2.9766 2.9767 4.0426 4.0428 4.0569 4.0572 8.5298 8.5303 8.5330 8.5332 9.0347 9.0404 9.0544 9.0572 9.2623 9.2646 9.2746 9.2815 9.8982 9.8986 9.9021 9.9024 10.7225 10.7248 10.7259 10.7272 11.0482 11.0495 11.0524 11.0548 11.3421 11.3465 11.3501 11.3530 11.4227 11.4285 11.4319 11.4392 11.6292 11.6309 11.6386 11.6399 12.0633 12.0637 12.0679 12.0685 12.8895 12.8965 12.8984 12.9001 13.4071 13.4098 13.4135 13.4194 14.7632 14.7644 14.7670 14.7690 15.2850 15.2855 15.2866 15.2883 18.0836 18.0850 18.1051 18.1066 k = 0.4800 0.4800-0.0000 ( 3032 PWs) bands (ev): 2.9218 2.9221 2.9801 2.9803 4.0461 4.0463 4.1009 4.1014 8.5183 8.5193 8.5291 8.5297 8.9943 9.0027 9.0536 9.0589 9.2719 9.2763 9.3136 9.3246 9.8964 9.8976 9.9045 9.9053 10.7184 10.7241 10.7262 10.7282 11.0437 11.0457 11.0520 11.0576 11.3297 11.3392 11.3448 11.3494 11.4214 11.4305 11.4379 11.4522 11.6265 11.6304 11.6453 11.6476 12.0620 12.0626 12.0709 12.0725 12.8707 12.8864 12.8935 12.8956 13.4085 13.4141 13.4297 13.4419 14.7632 14.7656 14.7780 14.7820 15.2856 15.2863 15.2910 15.2948 18.0133 18.0159 18.0945 18.0974 k = 0.4700 0.4700-0.0000 ( 3032 PWs) bands (ev): 2.8618 2.8622 2.9861 2.9863 4.0519 4.0522 4.1682 4.1690 8.5000 8.5015 8.5221 8.5230 8.9474 8.9565 9.0534 9.0608 9.2880 9.2940 9.3629 9.3761 9.8950 9.8972 9.9072 9.9087 10.7132 10.7230 10.7259 10.7290 11.0380 11.0403 11.0510 11.0600 11.3146 11.3297 11.3355 11.3410 11.4230 11.4337 11.4464 11.4663 11.6254 11.6324 11.6535 11.6570 12.0617 12.0623 12.0745 12.0774 12.8451 12.8673 12.8857 12.8890 13.4116 13.4201 13.4576 13.4741 14.7637 14.7673 14.7967 14.8029 15.2868 15.2878 15.2990 15.3049 17.9089 17.9127 18.0776 18.0819 k = 0.4600 0.4600-0.0000 ( 3032 PWs) bands (ev): 2.7872 2.7877 2.9944 2.9947 4.0599 4.0604 4.2532 4.2541 8.4758 8.4778 8.5106 8.5119 8.9010 8.9101 9.0539 9.0629 9.3097 9.3169 9.4150 9.4297 9.8941 9.8976 9.9108 9.9129 10.7070 10.7209 10.7253 10.7298 11.0306 11.0334 11.0499 11.0620 11.2977 11.3185 11.3239 11.3295 11.4252 11.4376 11.4567 11.4805 11.6259 11.6370 11.6628 11.6678 12.0621 12.0629 12.0787 12.0831 12.8149 12.8418 12.8757 12.8800 13.4163 13.4276 13.4946 13.5138 14.7647 14.7694 14.8230 14.8312 15.2886 15.2899 15.3106 15.3186 17.7820 17.7865 18.0548 18.0604 k = 0.4500 0.4500-0.0000 ( 3028 PWs) bands (ev): 2.7030 2.7035 3.0050 3.0055 4.0703 4.0709 4.3508 4.3519 8.4466 8.4492 8.4930 8.4947 8.8593 8.8680 9.0551 9.0654 9.3358 9.3439 9.4664 9.4824 9.8940 9.8991 9.9156 9.9180 10.7001 10.7176 10.7250 10.7307 11.0217 11.0249 11.0489 11.0635 11.2798 11.3054 11.3117 11.3160 11.4270 11.4415 11.4682 11.4943 11.6281 11.6443 11.6730 11.6799 12.0631 12.0646 12.0834 12.0898 12.7819 12.8120 12.8637 12.8689 13.4225 13.4364 13.5384 13.5589 14.7660 14.7720 14.8562 14.8666 15.2911 15.2928 15.3256 15.3359 17.6414 17.6466 18.0269 18.0336 k = 0.4400 0.4400-0.0000 ( 3032 PWs) bands (ev): 2.6126 2.6131 3.0181 3.0187 4.0830 4.0837 4.4575 4.4587 8.4133 8.4165 8.4676 8.4700 8.8251 8.8332 9.0569 9.0682 9.3653 9.3740 9.5147 9.5318 9.8950 9.9020 9.9222 9.9246 10.6924 10.7129 10.7249 10.7315 11.0115 11.0149 11.0480 11.0642 11.2610 11.2907 11.2981 11.3024 11.4280 11.4449 11.4802 11.5074 11.6317 11.6539 11.6840 11.6930 12.0646 12.0674 12.0886 12.0973 12.7474 12.7797 12.8502 12.8563 13.4298 13.4463 13.5872 13.6080 14.7678 14.7750 14.8957 14.9085 15.2946 15.2969 15.3440 15.3565 17.4937 17.4994 17.9941 18.0019 k = 0.4300 0.4300-0.0000 ( 3044 PWs) bands (ev): 2.5183 2.5188 3.0335 3.0342 4.0979 4.0988 4.5708 4.5722 8.3767 8.3804 8.4336 8.4367 8.8000 8.8072 9.0593 9.0714 9.3972 9.4065 9.5580 9.5758 9.8973 9.9068 9.9306 9.9344 10.6842 10.7073 10.7249 10.7322 11.0001 11.0036 11.0472 11.0641 11.2417 11.2748 11.2818 11.2907 11.4280 11.4476 11.4925 11.5197 11.6367 11.6658 11.6956 11.7070 12.0667 12.0713 12.0943 12.1058 12.7123 12.7460 12.8354 12.8423 13.4382 13.4571 13.6394 13.6598 14.7700 14.7784 14.9405 14.9560 15.2994 15.3026 15.3654 15.3805 17.3436 17.3497 17.9572 17.9658 k = 0.4200 0.4200-0.0000 ( 3052 PWs) bands (ev): 2.4219 2.4224 3.0513 3.0520 4.1151 4.1161 4.6890 4.6905 8.3374 8.3417 8.3916 8.3955 8.7838 8.7902 9.0621 9.0751 9.4311 9.4407 9.5944 9.6121 9.9006 9.9141 9.9419 9.9493 10.6757 10.7010 10.7250 10.7328 10.9879 10.9912 11.0465 11.0630 11.2221 11.2581 11.2646 11.2798 11.4272 11.4494 11.5050 11.5313 11.6431 11.6795 11.7075 11.7218 12.0694 12.0763 12.1003 12.1151 12.6774 12.7117 12.8199 12.8276 13.4475 13.4687 13.6941 13.7135 14.7725 14.7823 14.9893 15.0077 15.3063 15.3108 15.3895 15.4073 17.1946 17.2011 17.9161 17.9255 k = 0.4100 0.4100-0.0000 ( 3038 PWs) bands (ev): 2.3245 2.3250 3.0714 3.0723 4.1345 4.1356 4.8108 4.8124 8.2957 8.3006 8.3433 8.3480 8.7756 8.7813 9.0655 9.0791 9.4661 9.4762 9.6226 9.6391 9.9046 9.9231 9.9590 9.9703 10.6672 10.6942 10.7252 10.7332 10.9751 10.9779 11.0459 11.0608 11.2022 11.2401 11.2479 11.2696 11.4256 11.4502 11.5176 11.5426 11.6509 11.6949 11.7200 11.7373 12.0727 12.0827 12.1068 12.1255 12.6432 12.6776 12.8041 12.8126 13.4575 13.4810 13.7502 13.7684 14.7755 14.7866 15.0397 15.0618 15.3166 15.3231 15.4156 15.4366 17.0499 17.0566 17.8704 17.8803 k = 0.4000 0.4000-0.0000 ( 3030 PWs) bands (ev): 2.2269 2.2274 3.0938 3.0948 4.1561 4.1573 4.9353 4.9371 8.2515 8.2571 8.2913 8.2966 8.7735 8.7788 9.0692 9.0834 9.5017 9.5122 9.6419 9.6560 9.9091 9.9321 9.9836 9.9976 10.6585 10.6871 10.7254 10.7333 10.9619 10.9639 11.0452 11.0574 11.1822 11.2209 11.2321 11.2598 11.4232 11.4498 11.5302 11.5536 11.6597 11.7114 11.7325 11.7534 12.0764 12.0902 12.1136 12.1369 12.6099 12.6440 12.7882 12.7974 13.4680 13.4939 13.8071 13.8237 14.7787 14.7912 15.0884 15.1146 15.3329 15.3419 15.4427 15.4676 16.9123 16.9192 17.8159 17.8255 k = 0.3900 0.3900-0.0000 ( 3026 PWs) bands (ev): 2.1297 2.1301 3.1186 3.1197 4.1798 4.1812 5.0618 5.0636 8.2042 8.2099 8.2387 8.2442 8.7760 8.7810 9.0731 9.0878 9.5375 9.5484 9.6527 9.6638 9.9142 9.9408 10.0152 10.0303 10.6498 10.6798 10.7254 10.7327 10.9485 10.9493 11.0440 11.0526 11.1620 11.2009 11.2172 11.2504 11.4201 11.4481 11.5428 11.5647 11.6696 11.7287 11.7451 11.7699 12.0806 12.0990 12.1207 12.1493 12.5777 12.6112 12.7724 12.7823 13.4790 13.5073 13.8641 13.8791 14.7820 14.7962 15.1306 15.1605 15.3592 15.3708 15.4697 15.4992 16.7850 16.7921 17.7326 17.7387 k = 0.3800 0.3800-0.0000 ( 3026 PWs) bands (ev): 2.0334 2.0338 3.1457 3.1469 4.2057 4.2071 5.1895 5.1915 8.1524 8.1576 8.1888 8.1935 8.7819 8.7868 9.0770 9.0923 9.5728 9.5843 9.6562 9.6641 9.9200 9.9495 10.0517 10.0671 10.6413 10.6724 10.7251 10.7315 10.9342 10.9353 11.0422 11.0465 11.1417 11.1804 11.2032 11.2417 11.4163 11.4450 11.5554 11.5758 11.6802 11.7464 11.7577 11.7867 12.0852 12.1088 12.1283 12.1627 12.5469 12.5794 12.7570 12.7677 13.4902 13.5210 13.9206 13.9340 14.7855 14.8014 15.1622 15.1940 15.3977 15.4118 15.4955 15.5308 16.6720 16.6792 17.5921 17.5977 k = 0.3700 0.3700-0.0000 ( 3022 PWs) bands (ev): 1.9382 1.9385 3.1751 3.1764 4.2335 4.2351 5.3181 5.3202 8.0963 8.1010 8.1420 8.1461 8.7903 8.7953 9.0810 9.0967 9.6069 9.6195 9.6545 9.6591 9.9266 9.9585 10.0908 10.1065 10.6330 10.6651 10.7246 10.7295 10.9193 10.9223 11.0377 11.0406 11.1214 11.1598 11.1904 11.2335 11.4120 11.4406 11.5681 11.5875 11.6916 11.7644 11.7704 11.8038 12.0902 12.1198 12.1364 12.1774 12.5176 12.5488 12.7422 12.7537 13.5015 13.5350 13.9760 13.9883 14.7888 14.8067 15.1819 15.2140 15.4419 15.4602 15.5236 15.5635 16.5777 16.5855 17.4289 17.4355 k = 0.3600 0.3600-0.0000 ( 3014 PWs) bands (ev): 1.8444 1.8447 3.2068 3.2082 4.2634 4.2651 5.4470 5.4492 8.0378 8.0423 8.0969 8.1010 8.8005 8.8057 9.0849 9.1010 9.6320 9.6458 9.6541 9.6599 9.9342 9.9680 10.1310 10.1470 10.6251 10.6580 10.7236 10.7267 10.9045 10.9099 11.0287 11.0363 11.1011 11.1392 11.1789 11.2261 11.4072 11.4349 11.5809 11.5998 11.7036 11.7809 11.7847 11.8211 12.0955 12.1311 12.1458 12.1933 12.4900 12.5197 12.7282 12.7405 13.5128 13.5491 14.0299 14.0419 14.7918 14.8120 15.1914 15.2233 15.4719 15.4962 15.5704 15.6048 16.5073 16.5160 17.2658 17.2725 k = 0.3500 0.3500-0.0000 ( 3014 PWs) bands (ev): 1.7522 1.7525 3.2407 3.2422 4.2952 4.2971 5.5757 5.5780 7.9787 7.9832 8.0529 8.0573 8.8119 8.8173 9.0885 9.1050 9.6275 9.6362 9.6805 9.6901 9.9428 9.9781 10.1711 10.1875 10.6173 10.6510 10.7214 10.7234 10.8903 10.8982 11.0177 11.0306 11.0809 11.1189 11.1686 11.2191 11.4021 11.4282 11.5938 11.6127 11.7159 11.7938 11.8023 11.8384 12.1011 12.1418 12.1574 12.2104 12.4641 12.4921 12.7150 12.7282 13.5239 13.5632 14.0818 14.0945 14.7941 14.8169 15.1923 15.2242 15.4738 15.5082 15.6388 15.6625 16.4650 16.4751 17.1090 17.1155 k = 0.3400 0.3400-0.0000 ( 3015 PWs) bands (ev): 1.6618 1.6621 3.2769 3.2785 4.3289 4.3309 5.7036 5.7061 7.9200 7.9247 8.0099 8.0147 8.8239 8.8297 9.0917 9.1085 9.6129 9.6219 9.7117 9.7222 9.9526 9.9889 10.2102 10.2271 10.6095 10.6440 10.7167 10.7207 10.8768 10.8875 11.0050 11.0225 11.0609 11.0989 11.1596 11.2124 11.3970 11.4206 11.6069 11.6263 11.7285 11.8058 11.8205 11.8557 12.1069 12.1511 12.1719 12.2289 12.4401 12.4663 12.7029 12.7170 13.5346 13.5771 14.1313 14.1461 14.7952 14.8211 15.1854 15.2173 15.4563 15.4999 15.7133 15.7309 16.4528 16.4643 16.9630 16.9689 k = 0.3300 0.3300-0.0000 ( 3005 PWs) bands (ev): 1.5733 1.5736 3.3153 3.3170 4.3644 4.3665 5.8303 5.8329 7.8628 7.8675 7.9680 7.9730 8.8360 8.8424 9.0944 9.1114 9.5954 9.6056 9.7422 9.7529 9.9640 10.0008 10.2479 10.2653 10.6020 10.6372 10.7106 10.7177 10.8645 10.8780 10.9910 11.0116 11.0416 11.0794 11.1519 11.2060 11.3919 11.4125 11.6203 11.6406 11.7414 11.8174 11.8389 11.8731 12.1129 12.1594 12.1893 12.2489 12.4182 12.4424 12.6918 12.7069 13.5446 13.5906 14.1785 14.1964 14.7944 14.8240 15.1704 15.2012 15.4292 15.4792 15.7843 15.7991 16.4688 16.4811 16.8338 16.8387 k = 0.3200 0.3200-0.0000 ( 3015 PWs) bands (ev): 1.4869 1.4871 3.3559 3.3577 4.4015 4.4038 5.9548 5.9577 7.8076 7.8123 7.9270 7.9324 8.8477 8.8548 9.0966 9.1136 9.5760 9.5876 9.7711 9.7817 9.9767 10.0135 10.2837 10.3015 10.5943 10.6302 10.7034 10.7141 10.8535 10.8696 10.9755 10.9975 11.0229 11.0605 11.1446 11.1991 11.3872 11.4045 11.6340 11.6554 11.7543 11.8285 11.8570 11.8903 12.1189 12.1671 12.2086 12.2702 12.3983 12.4206 12.6818 12.6979 13.5536 13.6031 14.2230 14.2451 14.7906 14.8245 15.1470 15.1749 15.4011 15.4538 15.8419 15.8564 16.5072 16.5197 16.7313 16.7349 k = 0.3100 0.3100-0.0000 ( 3019 PWs) bands (ev): 1.4025 1.4027 3.3986 3.4005 4.4403 4.4427 6.0765 6.0795 7.7554 7.7601 7.8872 7.8929 8.8583 8.8663 9.0981 9.1149 9.5554 9.5685 9.7983 9.8086 9.9910 10.0272 10.3175 10.3356 10.5866 10.6230 10.6956 10.7099 10.8441 10.8622 10.9590 10.9803 11.0052 11.0423 11.1374 11.1913 11.3829 11.3971 11.6481 11.6708 11.7672 11.8392 11.8750 11.9076 12.1251 12.1745 12.2298 12.2930 12.3805 12.4010 12.6731 12.6902 13.5611 13.6144 14.2648 14.2920 14.7827 14.8214 15.1164 15.1406 15.3772 15.4299 15.8736 15.8895 16.5573 16.5678 16.6743 16.6766 k = 0.3000 0.3000-0.0000 ( 3013 PWs) bands (ev): 1.3204 1.3206 3.4435 3.4456 4.4807 4.4832 6.1942 6.1975 7.7071 7.7118 7.8487 7.8548 8.8672 8.8762 9.0992 9.1156 9.5345 9.5486 9.8237 9.8334 10.0070 10.0420 10.3491 10.3674 10.5786 10.6155 10.6876 10.7052 10.8363 10.8557 10.9414 10.9610 10.9881 11.0250 11.1294 11.1823 11.3789 11.3911 11.6627 11.6867 11.7802 11.8495 11.8929 11.9248 12.1314 12.1817 12.2526 12.3173 12.3650 12.3842 12.6657 12.6838 13.5667 13.6240 14.3035 14.3368 14.7696 14.8127 15.0817 15.1043 15.3578 15.4098 15.8685 15.8871 16.5965 16.6012 16.6894 16.6978 k = 0.2900 0.2900-0.0000 ( 3013 PWs) bands (ev): 1.2405 1.2407 3.4905 3.4927 4.5224 4.5250 6.3064 6.3100 7.6640 7.6687 7.8117 7.8181 8.8735 8.8836 9.0999 9.1155 9.5134 9.5285 9.8471 9.8564 10.0243 10.0577 10.3784 10.3966 10.5704 10.6075 10.6798 10.7003 10.8298 10.8497 10.9228 10.9403 10.9712 11.0085 11.1203 11.1714 11.3749 11.3867 11.6777 11.7031 11.7930 11.8594 11.9107 11.9418 12.1378 12.1885 12.2766 12.3421 12.3520 12.3708 12.6596 12.6786 13.5697 13.6312 14.3384 14.3790 14.7512 14.7970 15.0479 15.0718 15.3406 15.3929 15.8279 15.8496 16.6350 16.6417 16.7612 16.7734 k = 0.2800 0.2800-0.0000 ( 3015 PWs) bands (ev): 1.1629 1.1631 3.5396 3.5419 4.5654 4.5682 6.4112 6.4152 7.6280 7.6326 7.7762 7.7830 8.8762 8.8876 9.1004 9.1149 9.4928 9.5085 9.8688 9.8775 10.0427 10.0741 10.4051 10.4232 10.5619 10.5992 10.6724 10.6955 10.8244 10.8440 10.9032 10.9189 10.9548 10.9931 11.1097 11.1586 11.3712 11.3838 11.6933 11.7200 11.8057 11.8688 11.9282 11.9589 12.1440 12.1951 12.3005 12.3400 12.3571 12.3736 12.6548 12.6747 13.5697 13.6351 14.3687 14.4177 14.7291 14.7746 15.0196 15.0449 15.3225 15.3773 15.7659 15.7911 16.6969 16.7058 16.8525 16.8661 k = 0.2700 0.2700-0.0000 ( 3023 PWs) bands (ev): 1.0878 1.0879 3.5908 3.5931 4.6096 4.6125 6.5060 6.5105 7.6014 7.6058 7.7425 7.7497 8.8744 8.8871 9.1011 9.1140 9.4731 9.4890 9.8890 9.8972 10.0616 10.0910 10.4291 10.4470 10.5532 10.5906 10.6655 10.6908 10.8196 10.8379 10.8825 10.8971 10.9391 10.9789 11.0974 11.1438 11.3677 11.3817 11.7093 11.7372 11.8183 11.8779 11.9456 11.9757 12.1503 12.2014 12.3198 12.3309 12.3570 12.4005 12.6516 12.6723 13.5657 13.6349 14.3933 14.4514 14.7073 14.7491 14.9971 15.0224 15.3013 15.3604 15.6992 15.7283 16.7726 16.7835 16.9525 16.9664 k = 0.2600 0.2600-0.0000 ( 3027 PWs) bands (ev): 1.0150 1.0152 3.6439 3.6464 4.6548 4.6578 6.5877 6.5927 7.5871 7.5914 7.7107 7.7184 8.8675 8.8812 9.1020 9.1130 9.4549 9.4706 9.9079 9.9157 10.0808 10.1082 10.4502 10.4680 10.5447 10.5822 10.6594 10.6864 10.8146 10.8313 10.8612 10.8751 10.9248 10.9663 11.0836 11.1273 11.3645 11.3797 11.7260 11.7551 11.8309 11.8868 11.9629 11.9926 12.1565 12.2075 12.3237 12.3255 12.3725 12.4295 12.6501 12.6714 13.5574 13.6297 14.4110 14.4778 14.6909 14.7261 14.9775 15.0010 15.2768 15.3407 15.6405 15.6728 16.8467 16.8603 17.0578 17.0707 k = 0.2500 0.2500-0.0000 ( 3015 PWs) bands (ev): 0.9448 0.9449 3.6990 3.7016 4.7008 4.7040 6.6527 6.6583 7.5885 7.5927 7.6811 7.6893 8.8549 8.8696 9.1029 9.1117 9.4387 9.4538 9.9261 9.9333 10.0999 10.1252 10.4679 10.4863 10.5370 10.5745 10.6538 10.6823 10.8087 10.8235 10.8399 10.8533 10.9123 10.9559 11.0688 11.1097 11.3613 11.3774 11.7434 11.7737 11.8435 11.8956 11.9802 12.0096 12.1627 12.2133 12.3185 12.3242 12.3976 12.4591 12.6505 12.6721 13.5440 13.6189 14.4218 14.4941 14.6835 14.7097 14.9573 14.9766 15.2520 15.3190 15.5966 15.6308 16.9049 16.9212 17.1665 17.1769 k = 0.2400 0.2400-0.0000 ( 3015 PWs) bands (ev): 0.8770 0.8771 3.7560 3.7588 4.7475 4.7508 6.6983 6.7044 7.6074 7.6119 7.6540 7.6633 8.8366 8.8518 9.1032 9.1095 9.4248 9.4390 9.9435 9.9500 10.1182 10.1418 10.4809 10.5015 10.5309 10.5677 10.6486 10.6783 10.8004 10.8126 10.8200 10.8328 10.9019 10.9478 11.0530 11.0914 11.3575 11.3740 11.7611 11.7927 11.8561 11.9044 11.9973 12.0263 12.1688 12.2188 12.3148 12.3227 12.4248 12.4883 12.6532 12.6748 13.5254 13.6018 14.4274 14.5005 14.6815 14.7027 14.9360 14.9472 15.2323 15.2994 15.5685 15.6025 16.9383 16.9562 17.2715 17.2803 k = 0.2300 0.2300-0.0000 ( 3019 PWs) bands (ev): 0.8118 0.8119 3.8149 3.8178 4.7948 4.7982 6.7233 6.7300 7.6268 7.6297 7.6519 7.6563 8.8129 8.8282 9.1019 9.1056 9.4139 9.4268 9.9604 9.9661 10.1355 10.1575 10.4876 10.5133 10.5282 10.5628 10.6434 10.6740 10.7880 10.7955 10.8034 10.8163 10.8943 10.9421 11.0367 11.0729 11.3530 11.3694 11.7791 11.8122 11.8686 11.9133 12.0142 12.0430 12.1747 12.2241 12.3127 12.3225 12.4513 12.5161 12.6587 12.6796 13.5016 13.5785 14.4307 14.5010 14.6718 14.7052 14.9148 14.9202 15.2218 15.2866 15.5529 15.5859 16.9487 16.9666 17.3383 17.3512 k = 0.2200 0.2200-0.0000 ( 3023 PWs) bands (ev): 0.7492 0.7493 3.8757 3.8787 4.8423 4.8458 6.7292 6.7364 7.6054 7.6127 7.7059 7.7089 8.7842 8.7994 9.0978 9.0990 9.4064 9.4179 9.9769 9.9817 10.1515 10.1722 10.4876 10.5205 10.5301 10.5602 10.6378 10.6693 10.7701 10.7773 10.7876 10.8037 10.8896 10.9386 11.0203 11.0550 11.3474 11.3633 11.7973 11.8322 11.8811 11.9226 12.0310 12.0596 12.1805 12.2290 12.3120 12.3236 12.4759 12.5410 12.6677 12.6869 13.4728 13.5493 14.4343 14.5006 14.6500 14.7030 14.8961 14.9124 15.2210 15.2827 15.5461 15.5778 16.9430 16.9603 17.3407 17.3548 k = 0.2100 0.2100-0.0000 ( 3019 PWs) bands (ev): 0.6892 0.6893 3.9381 3.9413 4.8899 4.8936 6.7193 6.7268 7.5859 7.5941 7.7756 7.7791 8.7513 8.7662 9.0882 9.0904 9.4024 9.4128 9.9928 9.9971 10.1661 10.1857 10.4834 10.5221 10.5350 10.5601 10.6313 10.6637 10.7500 10.7590 10.7735 10.7916 10.8877 10.9370 11.0044 11.0381 11.3406 11.3556 11.8156 11.8526 11.8937 11.9325 12.0476 12.0760 12.1862 12.2337 12.3127 12.3261 12.4976 12.5620 12.6806 12.6968 13.4399 13.5152 14.4392 14.5023 14.6180 14.6860 14.8984 14.9198 15.2280 15.2871 15.5450 15.5757 16.9275 16.9440 17.3154 17.3298 k = 0.2000 0.2000-0.0000 ( 3017 PWs) bands (ev): 0.6319 0.6319 4.0023 4.0056 4.9374 4.9411 6.6971 6.7049 7.5693 7.5780 7.8557 7.8595 8.7150 8.7293 9.0734 9.0781 9.4019 9.4118 10.0077 10.0123 10.1791 10.1976 10.4776 10.5203 10.5391 10.5615 10.6232 10.6566 10.7302 10.7419 10.7603 10.7797 10.8880 10.9367 10.9895 11.0226 11.3326 11.3462 11.8338 11.8730 11.9062 11.9433 12.0640 12.0923 12.1917 12.2382 12.3143 12.3298 12.5155 12.5784 12.6967 12.7093 13.4036 13.4770 14.4438 14.5061 14.5828 14.6609 14.9200 14.9398 15.2408 15.2982 15.5477 15.5781 16.9063 16.9218 17.2812 17.2961 k = 0.1900 0.1900-0.0000 ( 3017 PWs) bands (ev): 0.5772 0.5772 4.0682 4.0716 4.9845 4.9883 6.6658 6.6737 7.5559 7.5650 7.9422 7.9466 8.6759 8.6897 9.0539 9.0608 9.4048 9.4149 10.0212 10.0276 10.1903 10.2079 10.4709 10.5158 10.5418 10.5628 10.6128 10.6470 10.7122 10.7271 10.7479 10.7685 10.8898 10.9371 10.9760 11.0087 11.3234 11.3352 11.8516 11.8928 11.9191 11.9551 12.0802 12.1082 12.1971 12.2423 12.3168 12.3344 12.5297 12.5907 12.7144 12.7238 13.3649 13.4361 14.4448 14.5048 14.5596 14.6416 14.9526 14.9688 15.2577 15.3145 15.5532 15.5838 16.8814 16.8961 17.2433 17.2587 k = 0.1800 0.1800-0.0000 ( 3023 PWs) bands (ev): 0.5252 0.5252 4.1356 4.1392 5.0309 5.0349 6.6277 6.6358 7.5458 7.5554 8.0322 8.0371 8.6351 8.6482 9.0298 9.0385 9.4107 9.4214 10.0330 10.0425 10.1997 10.2166 10.4635 10.5087 10.5433 10.5634 10.5998 10.6335 10.6979 10.7148 10.7366 10.7589 10.8924 10.9375 10.9646 10.9968 11.3129 11.3226 11.8689 11.9109 11.9331 11.9681 12.0960 12.1237 12.2022 12.2462 12.3198 12.3395 12.5404 12.5999 12.7312 12.7395 13.3246 13.3935 14.4399 14.4870 14.5653 14.6366 14.9908 15.0043 15.2776 15.3347 15.5608 15.5921 16.8541 16.8680 17.2026 17.2186 k = 0.1700 0.1700-0.0000 ( 3029 PWs) bands (ev): 0.4759 0.4759 4.2045 4.2082 5.0765 5.0805 6.5846 6.5928 7.5393 7.5492 8.1232 8.1287 8.5937 8.6061 9.0013 9.0115 9.4192 9.4308 10.0429 10.0565 10.2076 10.2238 10.4550 10.4984 10.5442 10.5633 10.5844 10.6155 10.6883 10.7050 10.7269 10.7512 10.8953 10.9370 10.9563 10.9873 11.3012 11.3086 11.8857 11.9261 11.9494 11.9820 12.1114 12.1386 12.2071 12.2497 12.3230 12.3451 12.5484 12.6067 12.7455 12.7548 13.2836 13.3501 14.4321 14.4667 14.5890 14.6468 15.0316 15.0448 15.2996 15.3578 15.5701 15.6026 16.8251 16.8382 17.1592 17.1760 k = 0.1600 0.1600-0.0000 ( 3021 PWs) bands (ev): 0.4293 0.4293 4.2748 4.2787 5.1209 5.1249 6.5377 6.5459 7.5366 7.5469 8.2121 8.2182 8.5537 8.5653 8.9693 8.9805 9.4300 9.4424 10.0506 10.0693 10.2141 10.2299 10.4451 10.4852 10.5428 10.5631 10.5687 10.5946 10.6829 10.6980 10.7189 10.7453 10.8978 10.9350 10.9514 10.9803 11.2886 11.2932 11.9022 11.9386 11.9679 11.9969 12.1264 12.1530 12.2119 12.2531 12.3264 12.3509 12.5542 12.6122 12.7567 12.7678 13.2427 13.3068 14.4273 14.4545 14.6211 14.6690 15.0740 15.0890 15.3228 15.3829 15.5811 15.6153 16.7949 16.8071 17.1125 17.1302 k = 0.1500 0.1500-0.0000 ( 3025 PWs) bands (ev): 0.3855 0.3855 4.3465 4.3506 5.1639 5.1679 6.4875 6.4959 7.5379 7.5485 8.2939 8.3000 8.5197 8.5300 8.9343 8.9463 9.4423 9.4555 10.0553 10.0803 10.2193 10.2351 10.4333 10.4693 10.5322 10.5543 10.5637 10.5776 10.6801 10.6930 10.7126 10.7407 10.8991 10.9327 10.9490 10.9761 11.2750 11.2766 11.9181 11.9495 11.9872 12.0123 12.1406 12.1663 12.2164 12.2561 12.3293 12.3562 12.5585 12.6165 12.7646 12.7774 13.2022 13.2641 14.4302 14.4534 14.6589 14.6997 15.1178 15.1358 15.3468 15.4089 15.5938 15.6301 16.7637 16.7749 17.0618 17.0807 k = 0.1400 0.1400-0.0000 ( 3021 PWs) bands (ev): 0.3444 0.3444 4.4194 4.4236 5.2052 5.2092 6.4348 6.4433 7.5433 7.5542 8.3531 8.3568 8.5077 8.5148 8.8979 8.9105 9.4558 9.4696 10.0563 10.0887 10.2239 10.2399 10.4198 10.4515 10.5122 10.5329 10.5665 10.5744 10.6788 10.6897 10.7077 10.7372 10.8991 10.9315 10.9478 10.9747 11.2588 11.2604 11.9337 11.9599 12.0066 12.0280 12.1543 12.1787 12.2208 12.2587 12.3315 12.3609 12.5618 12.6200 12.7691 12.7833 13.1627 13.2224 14.4434 14.4645 14.7009 14.7368 15.1627 15.1841 15.3708 15.4351 15.6086 15.6470 16.7317 16.7417 17.0066 17.0269 k = 0.1300 0.1300-0.0000 ( 3025 PWs) bands (ev): 0.3061 0.3061 4.4935 4.4979 5.2446 5.2485 6.3798 6.3883 7.5529 7.5641 8.3602 8.3646 8.5391 8.5465 8.8629 8.8761 9.4700 9.4843 10.0532 10.0937 10.2281 10.2446 10.4049 10.4326 10.4885 10.5072 10.5717 10.5778 10.6783 10.6873 10.7040 10.7343 10.8981 10.9311 10.9480 10.9753 11.2400 11.2450 11.9489 11.9701 12.0254 12.0435 12.1670 12.1899 12.2250 12.2611 12.3322 12.3643 12.5647 12.6232 12.7707 12.7858 13.1244 13.1820 14.4678 14.4879 14.7464 14.7788 15.2085 15.2333 15.3945 15.4604 15.6257 15.6661 16.6989 16.7077 16.9468 16.9686 k = 0.1200 0.1200-0.0000 ( 3015 PWs) bands (ev): 0.2706 0.2706 4.5686 4.5732 5.2818 5.2857 6.3227 6.3312 7.5669 7.5784 8.3330 8.3393 8.5900 8.6010 8.8369 8.8508 9.4847 9.4994 10.0453 10.0942 10.2326 10.2495 10.3889 10.4137 10.4636 10.4812 10.5787 10.5835 10.6784 10.6856 10.7012 10.7319 10.8970 10.9308 10.9501 10.9772 11.2204 11.2288 11.9639 11.9806 12.0434 12.0589 12.1790 12.2001 12.2291 12.2631 12.3311 12.3660 12.5679 12.6263 12.7700 12.7856 13.0876 13.1431 14.5033 14.5228 14.7947 14.8248 15.2548 15.2824 15.4177 15.4840 15.6457 15.6873 16.6655 16.6729 16.8825 16.9059 k = 0.1100 0.1100-0.0000 ( 3015 PWs) bands (ev): 0.2378 0.2379 4.6446 4.6494 5.3166 5.3203 6.2637 6.2722 7.5854 7.5971 8.2976 8.3041 8.6207 8.6343 8.8378 8.8523 9.4994 9.5143 10.0323 10.0892 10.2377 10.2547 10.3723 10.3953 10.4386 10.4558 10.5867 10.5904 10.6785 10.6841 10.6991 10.7297 10.8965 10.9306 10.9540 10.9796 11.2000 11.2119 11.9785 11.9917 12.0604 12.0737 12.1899 12.2088 12.2330 12.2647 12.3273 12.3653 12.5719 12.6298 12.7680 12.7836 13.0521 13.1056 14.5488 14.5681 14.8453 14.8741 15.3010 15.3301 15.4409 15.5051 15.6684 15.7105 16.6316 16.6373 16.8147 16.8395 k = 0.1000 0.1000-0.0000 ( 3015 PWs) bands (ev): 0.2079 0.2079 4.7214 4.7264 5.3488 5.3524 6.2028 6.2112 7.6083 7.6202 8.2610 8.2673 8.6115 8.6256 8.8789 8.8935 9.5140 9.5290 10.0142 10.0778 10.2434 10.2600 10.3558 10.3783 10.4147 10.4316 10.5956 10.5981 10.6786 10.6829 10.6974 10.7276 10.8969 10.9308 10.9589 10.9825 11.1789 11.1945 11.9923 12.0040 12.0761 12.0879 12.1998 12.2163 12.2368 12.2660 12.3208 12.3617 12.5773 12.6343 12.7654 12.7806 13.0181 13.0696 14.6033 14.6226 14.8976 14.9259 15.3463 15.3736 15.4661 15.5241 15.6934 15.7351 16.5973 16.6011 16.7446 16.7708 k = 0.0900 0.0900-0.0000 ( 3013 PWs) bands (ev): 0.1808 0.1809 4.7990 4.8041 5.3783 5.3817 6.1400 6.1485 7.6356 7.6477 8.2255 8.2314 8.5751 8.5890 8.9445 8.9597 9.5282 9.5431 9.9910 10.0593 10.2497 10.2655 10.3402 10.3630 10.3926 10.4087 10.6050 10.6063 10.6786 10.6818 10.6959 10.7254 10.8984 10.9317 10.9644 10.9854 11.1575 11.1766 12.0053 12.0178 12.0904 12.1014 12.2084 12.2226 12.2403 12.2670 12.3114 12.3551 12.5845 12.6403 12.7629 12.7774 12.9856 13.0351 14.6652 14.6847 14.9512 14.9796 15.3890 15.4083 15.4974 15.5418 15.7196 15.7602 16.5626 16.5646 16.6738 16.7012 k = 0.0800 0.0800-0.0000 ( 2997 PWs) bands (ev): 0.1566 0.1566 4.8771 4.8824 5.4049 5.4080 6.0755 6.0839 7.6673 7.6796 8.1922 8.1977 8.5266 8.5401 9.0186 9.0353 9.5417 9.5564 9.9629 10.0335 10.2564 10.2708 10.3267 10.3493 10.3727 10.3876 10.6146 10.6150 10.6785 10.6808 10.6945 10.7232 10.9012 10.9336 10.9702 10.9886 11.1358 11.1585 12.0179 12.0330 12.1033 12.1140 12.2158 12.2277 12.2437 12.2676 12.2995 12.3456 12.5937 12.6483 12.7608 12.7744 12.9545 13.0020 14.7330 14.7529 15.0055 15.0342 15.4249 15.4330 15.5371 15.5606 15.7453 15.7845 16.5269 16.5288 16.6046 16.6329 k = 0.0700 0.0700-0.0000 ( 2995 PWs) bands (ev): 0.1352 0.1352 4.9556 4.9611 5.4285 5.4314 6.0093 6.0176 7.7032 7.7157 8.1619 8.1668 8.4721 8.4855 9.0949 9.1134 9.5544 9.5687 9.9299 10.0007 10.2630 10.2758 10.3155 10.3370 10.3551 10.3682 10.6232 10.6248 10.6783 10.6799 10.6930 10.7207 10.9053 10.9364 10.9757 10.9917 11.1140 11.1402 12.0304 12.0490 12.1145 12.1255 12.2214 12.2318 12.2465 12.2676 12.2862 12.3335 12.6049 12.6584 12.7590 12.7719 12.9249 12.9703 14.8053 14.8256 15.0596 15.0888 15.4408 15.4586 15.5826 15.5838 15.7686 15.8062 16.4897 16.4946 16.5396 16.5679 k = 0.0600 0.0600-0.0000 ( 2987 PWs) bands (ev): 0.1166 0.1166 5.0343 5.0401 5.4491 5.4516 5.9413 5.9495 7.7431 7.7558 8.1348 8.1392 8.4144 8.4276 9.1711 9.1915 9.5660 9.5799 9.8925 9.9617 10.2693 10.2803 10.3069 10.3260 10.3399 10.3510 10.6315 10.6345 10.6778 10.6795 10.6913 10.7178 10.9109 10.9403 10.9805 10.9951 11.0923 11.1222 12.0433 12.0656 12.1240 12.1358 12.2247 12.2343 12.2486 12.2658 12.2744 12.3196 12.6179 12.6707 12.7574 12.7700 12.8968 12.9398 14.8804 14.9013 15.1128 15.1421 15.4454 15.4759 15.6138 15.6302 15.7876 15.8231 16.4522 16.4616 16.4821 16.5090 k = 0.0500 0.0500-0.0000 ( 2989 PWs) bands (ev): 0.1009 0.1009 5.1132 5.1191 5.4665 5.4687 5.8718 5.8798 7.7868 7.7996 8.1114 8.1153 8.3547 8.3677 9.2459 9.2685 9.5762 9.5898 9.8508 9.9172 10.2752 10.2840 10.3005 10.3163 10.3270 10.3361 10.6395 10.6438 10.6770 10.6795 10.6893 10.7146 10.9179 10.9452 10.9841 10.9991 11.0710 11.1045 12.0565 12.0827 12.1318 12.1447 12.2248 12.2323 12.2500 12.2603 12.2699 12.3050 12.6325 12.6851 12.7554 12.7691 12.8703 12.9106 14.9570 14.9784 15.1636 15.1925 15.4427 15.4813 15.6498 15.6771 15.8008 15.8332 16.4147 16.4301 16.4354 16.4584 k = 0.0400 0.0400-0.0000 ( 2989 PWs) bands (ev): 0.0880 0.0880 5.1920 5.1981 5.4808 5.4827 5.8007 5.8086 7.8340 7.8470 8.0920 8.0954 8.2940 8.3068 9.3189 9.3436 9.5848 9.5984 9.8050 9.8681 10.2804 10.2869 10.2961 10.3079 10.3166 10.3236 10.6471 10.6524 10.6761 10.6799 10.6868 10.7110 10.9265 10.9510 10.9860 11.0040 11.0503 11.0875 12.0703 12.1004 12.1376 12.1523 12.2183 12.2255 12.2518 12.2584 12.2687 12.2914 12.6483 12.7014 12.7526 12.7692 12.8458 12.8826 15.0333 15.0555 15.2104 15.2383 15.4328 15.4758 15.6885 15.7210 15.8074 15.8356 16.3812 16.3981 16.4026 16.4175 k = 0.0300 0.0300-0.0000 ( 2983 PWs) bands (ev): 0.0780 0.0780 5.2706 5.2769 5.4920 5.4935 5.7282 5.7360 7.8844 7.8975 8.0767 8.0796 8.2329 8.2455 9.3897 9.4162 9.5915 9.6057 9.7555 9.8151 10.2849 10.2889 10.2934 10.3013 10.3084 10.3137 10.6543 10.6600 10.6752 10.6810 10.6840 10.7069 10.9368 10.9576 10.9863 11.0097 11.0303 11.0717 12.0845 12.1185 12.1409 12.1586 12.2050 12.2175 12.2546 12.2591 12.2677 12.2804 12.6652 12.7194 12.7483 12.7704 12.8238 12.8557 15.1078 15.1307 15.2513 15.2774 15.4146 15.4597 15.7269 15.7591 15.8086 15.8310 16.3565 16.3700 16.3783 16.3862 k = 0.0200 0.0200-0.0000 ( 2969 PWs) bands (ev): 0.0708 0.0708 5.3488 5.3553 5.5000 5.5012 5.6544 5.6621 7.9375 7.9509 8.0655 8.0683 8.1721 8.1844 9.4580 9.4854 9.5958 9.6126 9.7025 9.7593 10.2883 10.2898 10.2922 10.2972 10.3025 10.3062 10.6609 10.6660 10.6744 10.6806 10.6834 10.7023 10.9487 10.9645 10.9850 11.0115 11.0165 11.0572 12.0990 12.1368 12.1409 12.1638 12.1913 12.2057 12.2576 12.2605 12.2665 12.2726 12.6828 12.7390 12.7414 12.7727 12.8053 12.8301 15.1786 15.2016 15.2834 15.3078 15.3872 15.4330 15.7619 15.7877 15.8074 15.8221 16.3417 16.3493 16.3598 16.3637 k = 0.0100 0.0100-0.0000 ( 2969 PWs) bands (ev): 0.0665 0.0665 5.4264 5.4330 5.5048 5.5059 5.5794 5.5870 7.9926 8.0067 8.0583 8.0618 8.1125 8.1239 9.5236 9.5472 9.5961 9.6221 9.6460 9.7020 10.2891 10.2896 10.2935 10.2957 10.2987 10.3006 10.6668 10.6698 10.6734 10.6766 10.6872 10.6973 10.9622 10.9712 10.9819 10.9937 11.0242 11.0444 12.1133 12.1361 12.1552 12.1684 12.1804 12.1905 12.2606 12.2621 12.2652 12.2674 12.7002 12.7309 12.7599 12.7763 12.7914 12.8055 15.2438 15.2634 15.3029 15.3304 15.3494 15.3964 15.7896 15.8014 15.8083 15.8127 16.3354 16.3367 16.3462 16.3490 k = 0.0000 0.0000 0.0000 ( 2969 PWs) bands (ev): 0.0651 0.0651 5.5033 5.5033 5.5034 5.5034 5.5140 5.5140 8.0450 8.0450 8.0645 8.0645 8.0645 8.0645 9.5863 9.5863 9.5863 9.5863 9.6499 9.6499 10.2891 10.2891 10.2965 10.2965 10.2965 10.2965 10.6720 10.6720 10.6720 10.6720 10.6921 10.6921 10.9772 10.9772 10.9772 10.9772 11.0334 11.0334 12.1263 12.1263 12.1733 12.1733 12.1733 12.1733 12.2637 12.2637 12.2637 12.2637 12.7168 12.7168 12.7821 12.7821 12.7821 12.7821 15.3013 15.3013 15.3013 15.3013 15.3568 15.3568 15.8058 15.8058 15.8058 15.8058 16.3369 16.3369 16.3369 16.3369 k = 0.0000 0.0000 0.0000 ( 2969 PWs) bands (ev): 0.0651 0.0651 5.5033 5.5033 5.5034 5.5034 5.5140 5.5140 8.0450 8.0450 8.0645 8.0645 8.0645 8.0645 9.5863 9.5863 9.5863 9.5863 9.6499 9.6499 10.2891 10.2891 10.2965 10.2965 10.2965 10.2965 10.6720 10.6720 10.6720 10.6720 10.6921 10.6921 10.9772 10.9772 10.9772 10.9772 11.0334 11.0334 12.1263 12.1263 12.1733 12.1733 12.1733 12.1733 12.2637 12.2637 12.2637 12.2637 12.7168 12.7168 12.7821 12.7821 12.7821 12.7821 15.3013 15.3013 15.3013 15.3013 15.3568 15.3568 15.8058 15.8058 15.8058 15.8058 16.3369 16.3369 16.3369 16.3369 k = 0.0082 0.0082 0.0082 ( 2969 PWs) bands (ev): 0.0665 0.0665 5.4266 5.4332 5.5038 5.5051 5.5802 5.5877 7.9922 8.0062 8.0587 8.0625 8.1123 8.1239 9.5232 9.5463 9.5975 9.6223 9.6455 9.7020 10.2892 10.2897 10.2938 10.2953 10.2989 10.3005 10.6668 10.6698 10.6734 10.6766 10.6872 10.6973 10.9622 10.9710 10.9821 10.9937 11.0241 11.0444 12.1132 12.1361 12.1549 12.1689 12.1801 12.1906 12.2609 12.2616 12.2655 12.2673 12.7002 12.7310 12.7597 12.7769 12.7910 12.8057 15.2434 15.2626 15.3039 15.3304 15.3492 15.3965 15.7949 15.7966 15.8098 15.8106 16.3341 16.3391 16.3423 16.3528 k = 0.0164 0.0164 0.0164 ( 2969 PWs) bands (ev): 0.0708 0.0708 5.3500 5.3567 5.4964 5.4979 5.6565 5.6640 7.9362 7.9494 8.0673 8.0707 8.1713 8.1840 9.4567 9.4831 9.5996 9.6142 9.7008 9.7588 10.2900 10.2910 10.2920 10.2955 10.3020 10.3058 10.6609 10.6659 10.6744 10.6806 10.6833 10.7024 10.9488 10.9639 10.9855 11.0116 11.0164 11.0573 12.0988 12.1361 12.1412 12.1652 12.1906 12.2055 12.2586 12.2591 12.2670 12.2725 12.6825 12.7385 12.7418 12.7740 12.8043 12.8302 15.1770 15.1994 15.2863 15.3083 15.3867 15.4325 15.7802 15.7818 15.8055 15.8113 16.3367 16.3454 16.3595 16.3659 k = 0.0246 0.0246 0.0246 ( 2981 PWs) bands (ev): 0.0781 0.0781 5.2740 5.2807 5.4842 5.4862 5.7320 5.7396 7.8821 7.8950 8.0808 8.0845 8.2309 8.2441 9.3868 9.4121 9.5988 9.6099 9.7517 9.8133 10.2911 10.2916 10.2929 10.2976 10.3056 10.3126 10.6543 10.6599 10.6753 10.6809 10.6840 10.7069 10.9369 10.9564 10.9873 11.0095 11.0306 11.0719 12.0840 12.1172 12.1419 12.1612 12.2041 12.2165 12.2561 12.2567 12.2685 12.2804 12.6649 12.7188 12.7493 12.7725 12.8219 12.8556 15.1042 15.1269 15.2556 15.2786 15.4142 15.4576 15.7573 15.7658 15.7929 15.8130 16.3410 16.3492 16.3882 16.3917 k = 0.0328 0.0328 0.0328 ( 2987 PWs) bands (ev): 0.0882 0.0882 5.1988 5.2054 5.4675 5.4701 5.8061 5.8137 7.8307 7.8433 8.0990 8.1034 8.2903 8.3040 9.3138 9.3370 9.5968 9.6063 9.7981 9.8639 10.2912 10.2938 10.2956 10.3021 10.3098 10.3215 10.6472 10.6523 10.6762 10.6798 10.6868 10.7110 10.9266 10.9490 10.9881 11.0034 11.0509 11.0879 12.0694 12.0985 12.1395 12.1564 12.2183 12.2226 12.2527 12.2553 12.2706 12.2914 12.6480 12.7008 12.7548 12.7721 12.8424 12.8816 15.0273 15.0503 15.2147 15.2402 15.4316 15.4688 15.7318 15.7407 15.7835 15.8162 16.3460 16.3540 16.4169 16.4288 k = 0.0410 0.0410 0.0410 ( 2993 PWs) bands (ev): 0.1011 0.1011 5.1245 5.1310 5.4467 5.4498 5.8781 5.8859 7.7830 7.7954 8.1216 8.1268 8.3490 8.3631 9.2380 9.2589 9.5937 9.6025 9.8395 9.9095 10.2919 10.2968 10.2989 10.3099 10.3143 10.3326 10.6397 10.6437 10.6771 10.6793 10.6891 10.7146 10.9180 10.9421 10.9878 10.9975 11.0720 11.1050 12.0551 12.0803 12.1350 12.1505 12.2243 12.2308 12.2488 12.2539 12.2744 12.3047 12.6324 12.6851 12.7591 12.7723 12.8648 12.9083 14.9485 14.9721 15.1658 15.1942 15.4379 15.4630 15.7087 15.7098 15.7813 15.8218 16.3519 16.3598 16.4498 16.4681 k = 0.0492 0.0492 0.0492 ( 2993 PWs) bands (ev): 0.1170 0.1170 5.0513 5.0578 5.4221 5.4257 5.9473 5.9552 7.7397 7.7519 8.1482 8.1542 8.4066 8.4212 9.1594 9.1781 9.5899 9.5983 9.8760 9.9492 10.2932 10.3004 10.3029 10.3190 10.3217 10.3463 10.6318 10.6343 10.6782 10.6793 10.6910 10.7178 10.9108 10.9359 10.9868 10.9919 11.0938 11.1231 12.0415 12.0625 12.1288 12.1434 12.2229 12.2393 12.2443 12.2523 12.2813 12.3188 12.6187 12.6720 12.7629 12.7731 12.8886 12.9357 14.8695 14.8942 15.1111 15.1423 15.4299 15.4384 15.6790 15.6968 15.7845 15.8299 16.3587 16.3664 16.4853 16.5087 k = 0.0574 0.0574 0.0574 ( 3002 PWs) bands (ev): 0.1357 0.1357 4.9794 4.9859 5.3942 5.3983 6.0128 6.0207 7.7018 7.7138 8.1778 8.1847 8.4628 8.4778 9.0783 9.0949 9.5854 9.5935 9.9071 9.9824 10.2948 10.3046 10.3074 10.3237 10.3380 10.3627 10.6236 10.6245 10.6792 10.6796 10.6926 10.7205 10.9051 10.9303 10.9851 10.9863 11.1162 11.1416 12.0284 12.0453 12.1211 12.1350 12.2195 12.2393 12.2427 12.2502 12.2915 12.3320 12.6073 12.6618 12.7663 12.7741 12.9132 12.9635 14.7916 14.8179 15.0524 15.0864 15.3968 15.4046 15.6593 15.6940 15.7919 15.8406 16.3663 16.3738 16.5225 16.5500 k = 0.0656 0.0656 0.0656 ( 2996 PWs) bands (ev): 0.1573 0.1573 4.9089 4.9153 5.3633 5.3679 6.0736 6.0815 7.6704 7.6823 8.2100 8.2176 8.5170 8.5325 8.9951 9.0097 9.5804 9.5884 9.9332 10.0089 10.2968 10.3094 10.3124 10.3285 10.3594 10.3819 10.6146 10.6155 10.6800 10.6805 10.6939 10.7231 10.9008 10.9257 10.9811 10.9832 11.1388 11.1604 12.0160 12.0288 12.1121 12.1253 12.2149 12.2337 12.2426 12.2475 12.3030 12.3434 12.5988 12.6550 12.7696 12.7754 12.9386 12.9920 14.7157 14.7440 14.9918 15.0283 15.3435 15.3628 15.6523 15.6990 15.8030 15.8539 16.3747 16.3819 16.5611 16.5920 k = 0.0738 0.0738 0.0738 ( 2996 PWs) bands (ev): 0.1818 0.1818 4.8399 4.8462 5.3300 5.3349 6.1285 6.1363 7.6467 7.6583 8.2437 8.2521 8.5691 8.5850 8.9097 8.9226 9.5751 9.5829 9.9545 10.0290 10.2989 10.3147 10.3177 10.3330 10.3853 10.4036 10.6047 10.6076 10.6806 10.6817 10.6951 10.7254 10.8978 10.9219 10.9760 10.9810 11.1614 11.1792 12.0042 12.0129 12.1018 12.1141 12.2090 12.2275 12.2400 12.2440 12.3138 12.3522 12.5936 12.6518 12.7726 12.7766 12.9644 13.0207 14.6427 14.6732 14.9308 14.9697 15.2835 15.3096 15.6553 15.7093 15.8173 15.8697 16.3838 16.3906 16.6007 16.6345 k = 0.0820 0.0820 0.0820 ( 3002 PWs) bands (ev): 0.2091 0.2091 4.7724 4.7787 5.2945 5.2998 6.1763 6.1839 7.6318 7.6429 8.2780 8.2873 8.6186 8.6349 8.8227 8.8338 9.5697 9.5771 9.9713 10.0434 10.3009 10.3205 10.3234 10.3372 10.4150 10.4273 10.5951 10.6001 10.6812 10.6831 10.6964 10.7277 10.8960 10.9189 10.9714 10.9789 11.1837 11.1977 11.9929 11.9975 12.0901 12.1016 12.2022 12.2206 12.2355 12.2397 12.3225 12.3581 12.5916 12.6519 12.7753 12.7778 12.9906 13.0498 14.5731 14.6062 14.8708 14.9120 15.2206 15.2505 15.6653 15.7232 15.8345 15.8880 16.3938 16.4001 16.6413 16.6776 k = 0.0902 0.0902 0.0902 ( 3002 PWs) bands (ev): 0.2392 0.2392 4.7066 4.7129 5.2573 5.2630 6.2161 6.2234 7.6266 7.6371 8.3121 8.3221 8.6652 8.6814 8.7348 8.7438 9.5645 9.5715 9.9844 10.0532 10.3028 10.3266 10.3293 10.3409 10.4474 10.4520 10.5860 10.5935 10.6818 10.6845 10.6980 10.7302 10.8953 10.9168 10.9673 10.9770 11.2054 11.2156 11.9822 11.9829 12.0772 12.0877 12.1946 12.2131 12.2296 12.2347 12.3290 12.3611 12.5926 12.6548 12.7777 12.7787 13.0170 13.0791 14.5073 14.5433 14.8133 14.8565 15.1579 15.1899 15.6799 15.7398 15.8546 15.9086 16.4045 16.4103 16.6829 16.7214 k = 0.0984 0.0984 0.0984 ( 3026 PWs) bands (ev): 0.2722 0.2722 4.6425 4.6488 5.2188 5.2248 6.2470 6.2539 7.6316 7.6415 8.3447 8.3556 8.6437 8.6529 8.7085 8.7267 9.5596 9.5661 9.9941 10.0593 10.3041 10.3329 10.3353 10.3439 10.4763 10.4809 10.5777 10.5883 10.6821 10.6858 10.7003 10.7331 10.8955 10.9153 10.9639 10.9756 11.2262 11.2327 11.9689 11.9719 12.0629 12.0724 12.1861 12.2047 12.2222 12.2287 12.3331 12.3615 12.5959 12.6595 12.7792 12.7796 13.0435 13.1083 14.4458 14.4848 14.7592 14.8043 15.0977 15.1308 15.6980 15.7587 15.8773 15.9315 16.4159 16.4213 16.7255 16.7660 k = 0.1066 0.1066 0.1066 ( 3026 PWs) bands (ev): 0.3079 0.3080 4.5803 4.5865 5.1794 5.1857 6.2686 6.2749 7.6471 7.6561 8.3750 8.3864 8.5540 8.5618 8.7485 8.7668 9.5557 9.5614 10.0015 10.0630 10.3051 10.3394 10.3414 10.3463 10.4987 10.5143 10.5705 10.5854 10.6823 10.6872 10.7040 10.7372 10.8970 10.9149 10.9615 10.9751 11.2460 11.2489 11.9557 11.9621 12.0476 12.0560 12.1771 12.1956 12.2139 12.2220 12.3355 12.3602 12.6004 12.6648 12.7793 12.7811 13.0699 13.1374 14.3889 14.4311 14.7095 14.7563 15.0422 15.0760 15.7190 15.7797 15.9025 15.9568 16.4282 16.4330 16.7692 16.8116 k = 0.1148 0.1148 0.1148 ( 3020 PWs) bands (ev): 0.3465 0.3466 4.5199 4.5260 5.1393 5.1458 6.2809 6.2866 7.6723 7.6802 8.4018 8.4127 8.4644 8.4721 8.7846 8.8034 9.5531 9.5580 10.0070 10.0649 10.3055 10.3446 10.3476 10.3492 10.5167 10.5460 10.5647 10.5862 10.6824 10.6887 10.7101 10.7432 10.8994 10.9153 10.9603 10.9757 11.2637 11.2645 11.9432 11.9527 12.0311 12.0385 12.1676 12.1858 12.2045 12.2145 12.3365 12.3577 12.6048 12.6693 12.7789 12.7820 13.0959 13.1662 14.3370 14.3825 14.6651 14.7133 14.9933 15.0274 15.7425 15.8028 15.9303 15.9843 16.4413 16.4456 16.8142 16.8581 k = 0.1230 0.1230 0.1230 ( 3017 PWs) bands (ev): 0.3879 0.3880 4.4614 4.4675 5.0988 5.1056 6.2844 6.2894 7.7055 7.7121 8.3765 8.3789 8.4240 8.4396 8.8168 8.8360 9.5522 9.5561 10.0110 10.0655 10.3052 10.3455 10.3537 10.3552 10.5284 10.5606 10.5742 10.5910 10.6820 10.6902 10.7195 10.7523 10.9028 10.9164 10.9602 10.9774 11.2771 11.2813 11.9313 11.9434 12.0134 12.0201 12.1577 12.1753 12.1945 12.2061 12.3367 12.3545 12.6076 12.6718 12.7778 12.7822 13.1214 13.1942 14.2905 14.3392 14.6263 14.6758 14.9526 14.9868 15.7685 15.8279 15.9605 16.0140 16.4551 16.4589 16.8604 16.9059 k = 0.1311 0.1311 0.1311 ( 3023 PWs) bands (ev): 0.4321 0.4321 4.4049 4.4110 5.0583 5.0653 6.2801 6.2843 7.7434 7.7483 8.2928 8.2949 8.4406 8.4557 8.8446 8.8642 9.5533 9.5562 10.0140 10.0653 10.3039 10.3440 10.3596 10.3622 10.5343 10.5582 10.5969 10.5980 10.6812 10.6914 10.7330 10.7660 10.9071 10.9182 10.9616 10.9805 11.2887 11.2963 11.9200 11.9338 11.9946 12.0012 12.1476 12.1638 12.1839 12.1968 12.3364 12.3509 12.6077 12.6711 12.7759 12.7817 13.1460 13.2210 14.2498 14.3016 14.5938 14.6442 14.9216 14.9558 15.7967 15.8551 15.9931 16.0460 16.4696 16.4730 16.9080 16.9549 k = 0.1393 0.1393 0.1393 ( 3017 PWs) bands (ev): 0.4790 0.4791 4.3504 4.3564 5.0179 5.0251 6.2689 6.2725 7.7799 7.7826 8.2190 8.2192 8.4507 8.4662 8.8680 8.8880 9.5570 9.5588 10.0164 10.0646 10.3017 10.3407 10.3652 10.3694 10.5374 10.5579 10.6043 10.6132 10.6802 10.6925 10.7509 10.7852 10.9126 10.9207 10.9646 10.9851 11.2986 11.3093 11.9094 11.9236 11.9749 11.9824 12.1376 12.1518 12.1733 12.1869 12.3361 12.3475 12.6040 12.6663 12.7732 12.7804 13.1694 13.2464 14.2153 14.2699 14.5678 14.6188 14.9017 14.9356 15.8273 15.8844 16.0281 16.0803 16.4847 16.4876 16.9570 17.0053 k = 0.1475 0.1475 0.1475 ( 3029 PWs) bands (ev): 0.5287 0.5287 4.2979 4.3039 4.9779 4.9853 6.2521 6.2550 7.8022 7.8025 8.1637 8.1663 8.4535 8.4694 8.8866 8.9069 9.5632 9.5638 10.0183 10.0637 10.2984 10.3359 10.3704 10.3765 10.5395 10.5595 10.6082 10.6234 10.6789 10.6929 10.7721 10.8093 10.9191 10.9236 10.9692 10.9911 11.3064 11.3200 11.8993 11.9119 11.9542 11.9645 12.1277 12.1390 12.1627 12.1762 12.3357 12.3443 12.5957 12.6569 12.7696 12.7782 13.1911 13.2695 14.1876 14.2446 14.5481 14.5994 14.8938 14.9273 15.8603 15.9158 16.0655 16.1167 16.5000 16.5026 17.0075 17.0570 k = 0.1557 0.1557 0.1557 ( 3029 PWs) bands (ev): 0.5811 0.5812 4.2475 4.2534 4.9384 4.9460 6.2308 6.2331 7.7899 7.7931 8.1458 8.1511 8.4487 8.4649 8.9005 8.9210 9.5715 9.5720 10.0201 10.0629 10.2941 10.3297 10.3750 10.3832 10.5418 10.5631 10.6097 10.6289 10.6777 10.6929 10.7954 10.8372 10.9270 10.9272 10.9754 10.9987 11.3123 11.3285 11.8897 11.8976 11.9328 11.9488 12.1180 12.1255 12.1526 12.1650 12.3357 12.3416 12.5827 12.6425 12.7652 12.7753 13.2107 13.2900 14.1673 14.2260 14.5348 14.5862 14.8984 14.9313 15.8957 15.9495 16.1052 16.1554 16.5146 16.5170 17.0595 17.1103 k = 0.1639 0.1639 0.1639 ( 3026 PWs) bands (ev): 0.6362 0.6363 4.1991 4.2051 4.8997 4.9074 6.2060 6.2077 7.7412 7.7457 8.1705 8.1769 8.4361 8.4525 8.9093 8.9300 9.5814 9.5831 10.0220 10.0623 10.2890 10.3224 10.3791 10.3895 10.5448 10.5684 10.6095 10.6311 10.6766 10.6926 10.8193 10.8669 10.9312 10.9362 10.9831 11.0077 11.3163 11.3347 11.8802 11.8806 11.9107 11.9358 12.1086 12.1116 12.1430 12.1536 12.3359 12.3395 12.5648 12.6233 12.7600 12.7714 13.2279 13.3072 14.1550 14.2145 14.5273 14.5784 14.9159 14.9480 15.9335 15.9855 16.1472 16.1963 16.5266 16.5291 17.0087 17.0126 k = 0.1721 0.1721 0.1721 ( 3026 PWs) bands (ev): 0.6940 0.6941 4.1529 4.1589 4.8618 4.8697 6.1785 6.1798 7.6689 7.6735 8.2238 8.2302 8.4157 8.4323 8.9130 8.9337 9.5931 9.5959 10.0242 10.0620 10.2829 10.3141 10.3823 10.3951 10.5484 10.5754 10.6081 10.6310 10.6759 10.6920 10.8427 10.8971 10.9358 10.9471 10.9922 11.0180 11.3185 11.3388 11.8600 11.8720 11.8882 11.9255 12.0971 12.0992 12.1341 12.1422 12.3364 12.3380 12.5423 12.5995 12.7542 12.7668 13.2423 13.3206 14.1510 14.2105 14.5248 14.5753 14.9461 14.9772 15.9739 16.0238 16.1916 16.2394 16.5291 16.5323 16.8440 16.8497 k = 0.1803 0.1803 0.1803 ( 3034 PWs) bands (ev): 0.7545 0.7545 4.1089 4.1148 4.8250 4.8329 6.1491 6.1499 7.5849 7.5892 8.2918 8.2982 8.3878 8.4048 8.9114 8.9321 9.6057 9.6097 10.0267 10.0621 10.2762 10.3051 10.3846 10.3997 10.5524 10.5837 10.6062 10.6294 10.6759 10.6914 10.8643 10.9266 10.9409 10.9596 11.0024 11.0294 11.3192 11.3409 11.8379 11.8638 11.8653 11.9169 12.0821 12.0894 12.1260 12.1311 12.3372 12.3372 12.5158 12.5717 12.7477 12.7614 13.2534 13.3298 14.1556 14.2141 14.5261 14.5758 14.9885 15.0184 16.0170 16.0646 16.2383 16.2846 16.4981 16.5022 16.7220 16.7296 k = 0.1885 0.1885 0.1885 ( 3037 PWs) bands (ev): 0.8176 0.8176 4.0670 4.0729 4.7893 4.7974 6.1183 6.1187 7.4956 7.4995 8.3530 8.3586 8.3741 8.3794 8.9045 8.9250 9.6186 9.6235 10.0296 10.0626 10.2688 10.2954 10.3861 10.4032 10.5562 10.5933 10.6048 10.6267 10.6768 10.6911 10.8841 10.9467 10.9546 10.9737 11.0137 11.0417 11.3189 11.3415 11.8149 11.8424 11.8559 11.9094 12.0669 12.0788 12.1187 12.1212 12.3370 12.3383 12.4860 12.5408 12.7407 12.7554 13.2612 13.3346 14.1692 14.2256 14.5297 14.5782 15.0426 15.0711 16.0627 16.1079 16.2874 16.3309 16.4040 16.4049 16.6789 16.6857 k = 0.1967 0.1967 0.1967 ( 3037 PWs) bands (ev): 0.8833 0.8833 4.0273 4.0332 4.7548 4.7630 6.0866 6.0867 7.4037 7.4072 8.3118 8.3264 8.4512 8.4546 8.8923 8.9126 9.6305 9.6364 10.0331 10.0636 10.2611 10.2856 10.3866 10.4054 10.5591 10.6040 10.6048 10.6232 10.6789 10.6914 10.9016 10.9532 10.9803 10.9889 11.0257 11.0546 11.3182 11.3409 11.7915 11.8195 11.8484 11.9026 12.0515 12.0669 12.1122 12.1127 12.3376 12.3398 12.4540 12.5076 12.7332 12.7487 13.2655 13.3351 14.1914 14.2450 14.5333 14.5802 15.1074 15.1343 16.1113 16.1533 16.2732 16.2761 16.3388 16.3844 16.6826 16.6885 k = 0.2049 0.2049 0.2049 ( 3043 PWs) bands (ev): 0.9515 0.9516 3.9899 3.9957 4.7216 4.7299 6.0540 6.0542 7.3109 7.3141 8.2648 8.2795 8.5343 8.5376 8.8748 8.8947 9.6403 9.6471 10.0370 10.0652 10.2530 10.2756 10.3862 10.4063 10.5598 10.6073 10.6155 10.6190 10.6823 10.6922 10.9172 10.9603 11.0030 11.0042 11.0382 11.0677 11.3180 11.3398 11.7683 11.7969 11.8411 11.8959 12.0362 12.0535 12.1057 12.1062 12.3388 12.3411 12.4208 12.4730 12.7255 12.7414 13.2665 13.3317 14.2220 14.2721 14.5340 14.5790 15.1820 15.2071 16.1458 16.1494 16.1628 16.2060 16.3925 16.4359 16.7012 16.7069 k = 0.2131 0.2131 0.2131 ( 3043 PWs) bands (ev): 1.0223 1.0224 3.9547 3.9605 4.6899 4.6982 6.0210 6.0214 7.2183 7.2211 8.2127 8.2272 8.6191 8.6218 8.8521 8.8716 9.6470 9.6546 10.0415 10.0673 10.2448 10.2655 10.3852 10.4061 10.5582 10.6128 10.6142 10.6278 10.6871 10.6937 10.9313 10.9684 11.0188 11.0221 11.0513 11.0808 11.3193 11.3389 11.7457 11.7750 11.8341 11.8893 12.0210 12.0389 12.0999 12.1008 12.3404 12.3411 12.3887 12.4382 12.7175 12.7337 13.2644 13.3248 14.2605 14.3068 14.5284 14.5710 15.2654 15.2886 16.0366 16.0405 16.2175 16.2561 16.4486 16.4903 16.7263 16.7321 k = 0.2213 0.2213 0.2213 ( 3040 PWs) bands (ev): 1.0956 1.0957 3.9217 3.9275 4.6596 4.6680 5.9877 5.9883 7.1265 7.1290 8.1562 8.1703 8.7043 8.7061 8.8241 8.8436 9.6493 9.6575 10.0465 10.0699 10.2366 10.2556 10.3838 10.4049 10.5546 10.6090 10.6208 10.6404 10.6932 10.6959 10.9442 10.9773 11.0318 11.0369 11.0649 11.0936 11.3230 11.3390 11.7240 11.7539 11.8273 11.8825 12.0064 12.0235 12.0949 12.0957 12.3325 12.3413 12.3658 12.4048 12.7093 12.7255 13.2594 13.3149 14.3065 14.3486 14.5127 14.5525 15.3565 15.3776 15.9477 15.9537 16.2755 16.3110 16.5070 16.5471 16.7553 16.7614 k = 0.2295 0.2295 0.2295 ( 3034 PWs) bands (ev): 1.1714 1.1715 3.8910 3.8967 4.6308 4.6393 5.9542 5.9549 7.0361 7.0383 8.0958 8.1095 8.7853 8.7892 8.7912 8.8154 9.6462 9.6548 10.0521 10.0731 10.2285 10.2459 10.3825 10.4031 10.5497 10.6032 10.6306 10.6531 10.6986 10.7006 10.9559 10.9871 11.0426 11.0464 11.0789 11.1065 11.3298 11.3407 11.7035 11.7338 11.8206 11.8752 11.9923 12.0074 12.0903 12.0907 12.3068 12.3374 12.3612 12.3778 12.7011 12.7171 13.2519 13.3026 14.3593 14.3972 14.4836 14.5204 15.4544 15.4732 15.8850 15.8935 16.3369 16.3694 16.5678 16.6062 16.7874 16.7941 k = 0.2377 0.2377 0.2377 ( 3034 PWs) bands (ev): 1.2496 1.2496 3.8626 3.8683 4.6036 4.6122 5.9204 5.9211 6.9476 6.9496 8.0322 8.0454 8.7533 8.7688 8.8732 8.8770 9.6364 9.6453 10.0580 10.0767 10.2206 10.2365 10.3816 10.4012 10.5441 10.5971 10.6416 10.6656 10.7016 10.7091 10.9661 10.9979 11.0499 11.0513 11.0934 11.1201 11.3401 11.3446 11.6846 11.7150 11.8140 11.8674 11.9791 11.9910 12.0856 12.0858 12.2758 12.3186 12.3635 12.3675 12.6929 12.7085 13.2422 13.2882 14.4186 14.4392 14.4485 14.4766 15.5578 15.5743 15.8508 15.8620 16.4022 16.4314 16.6308 16.6677 16.8226 16.8297 k = 0.2459 0.2459 0.2459 ( 3031 PWs) bands (ev): 1.3301 1.3302 3.8364 3.8421 4.5780 4.5866 5.8861 5.8868 6.8618 6.8634 7.9658 7.9787 8.7108 8.7264 8.9560 8.9587 9.6191 9.6279 10.0645 10.0808 10.2129 10.2276 10.3815 10.3996 10.5379 10.5906 10.6534 10.6777 10.7047 10.7183 10.9741 11.0098 11.0478 11.0587 11.1084 11.1348 11.3511 11.3535 11.6674 11.6977 11.8076 11.8588 11.9670 11.9744 12.0800 12.0808 12.2452 12.2904 12.3677 12.3690 12.6848 12.6996 13.2307 13.2722 14.3797 14.4074 14.4840 14.5167 15.6657 15.6798 15.8450 15.8588 16.4714 16.4973 16.6962 16.7314 16.8606 16.8683 k = 0.2541 0.2541 0.2541 ( 3031 PWs) bands (ev): 1.4130 1.4131 3.8126 3.8183 4.5540 4.5627 5.8511 5.8517 6.7789 6.7803 7.8972 7.9097 8.6639 8.6789 9.0371 9.0392 9.5933 9.6019 10.0714 10.0854 10.2056 10.2190 10.3826 10.3988 10.5314 10.5838 10.6657 10.6889 10.7077 10.7281 10.9788 11.0229 11.0407 11.0660 11.1241 11.1505 11.3600 11.3694 11.6522 11.6820 11.8012 11.8495 11.9560 11.9580 12.0736 12.0753 12.2163 12.2612 12.3728 12.3739 12.6767 12.6906 13.2176 13.2551 14.3074 14.3327 14.5551 14.5839 15.7772 15.7889 15.8654 15.8812 16.5450 16.5675 16.7639 16.7975 16.9017 16.9100 k = 0.2623 0.2623 0.2623 ( 3019 PWs) bands (ev): 1.4981 1.4983 3.7911 3.7967 4.5317 4.5404 5.8150 5.8156 6.6999 6.7009 7.8269 7.8390 8.6129 8.6273 9.1161 9.1178 9.5587 9.5668 10.0787 10.0906 10.1987 10.2109 10.3851 10.3992 10.5248 10.5768 10.6782 10.6991 10.7104 10.7383 10.9793 11.0298 11.0374 11.0751 11.1406 11.1674 11.3712 11.3872 11.6391 11.6682 11.7949 11.8396 11.9419 11.9464 12.0664 12.0691 12.1899 12.2335 12.3785 12.3803 12.6689 12.6816 13.2032 13.2369 14.2257 14.2487 14.6317 14.6575 15.8902 15.9003 15.9092 15.9256 16.6232 16.6422 16.8339 16.8657 16.9460 16.9549 k = 0.2705 0.2705 0.2705 ( 3019 PWs) bands (ev): 1.5855 1.5856 3.7718 3.7775 4.5110 4.5197 5.7774 5.7779 6.6251 6.6258 7.7552 7.7670 8.5580 8.5718 9.1926 9.1940 9.5146 9.5221 10.0863 10.0961 10.1923 10.2034 10.3889 10.4007 10.5182 10.5696 10.6907 10.7079 10.7126 10.7484 10.9749 11.0160 11.0532 11.0868 11.1579 11.1851 11.3841 11.4061 11.6282 11.6562 11.7885 11.8290 11.9262 11.9379 12.0580 12.0620 12.1664 12.2077 12.3846 12.3875 12.6612 12.6726 13.1877 13.2181 14.1380 14.1592 14.7137 14.7367 15.9686 15.9880 16.0075 16.0131 16.7065 16.7220 16.9061 16.9362 16.9939 17.0035 k = 0.2787 0.2787 0.2787 ( 3025 PWs) bands (ev): 1.6750 1.6751 3.7549 3.7605 4.4919 4.5007 5.7379 5.7381 6.5554 6.5557 7.6826 7.6941 8.4996 8.5127 9.2663 9.2676 9.4613 9.4678 10.0942 10.1020 10.1864 10.1965 10.3940 10.4036 10.5115 10.5621 10.7030 10.7142 10.7153 10.7582 10.9662 11.0001 11.0705 11.1013 11.1761 11.2038 11.3984 11.4256 11.6196 11.6461 11.7821 11.8180 11.9111 11.9304 12.0481 12.0538 12.1459 12.1844 12.3910 12.3952 12.6536 12.6636 13.1712 13.1985 14.0473 14.0672 14.8008 14.8215 16.0451 16.0649 16.1229 16.1263 16.7952 16.8071 16.9805 17.0087 17.0457 17.0560 k = 0.2869 0.2869 0.2869 ( 3016 PWs) bands (ev): 1.7665 1.7667 3.7404 3.7459 4.4745 4.4833 5.6959 5.6959 6.4913 6.4914 7.6095 7.6207 8.4382 8.4506 9.3358 9.3384 9.4000 9.4041 10.1024 10.1084 10.1811 10.1902 10.4004 10.4077 10.5049 10.5545 10.7148 10.7152 10.7211 10.7674 10.9542 10.9827 11.0896 11.1184 11.1954 11.2235 11.4138 11.4455 11.6131 11.6379 11.7757 11.8069 11.8968 11.9241 12.0371 12.0447 12.1285 12.1635 12.3978 12.4033 12.6464 12.6548 13.1541 13.1787 13.9561 13.9750 14.8930 14.9116 16.1331 16.1532 16.2379 16.2389 16.8895 16.8980 17.0571 17.0832 17.1019 17.1131 k = 0.2951 0.2951 0.2951 ( 3034 PWs) bands (ev): 1.8600 1.8602 3.7281 3.7336 4.4587 4.4675 5.6507 5.6511 6.4331 6.4337 7.5362 7.5471 8.3738 8.3856 9.3233 9.3313 9.4061 9.4084 10.1109 10.1151 10.1764 10.1845 10.4076 10.4129 10.4982 10.5466 10.7154 10.7254 10.7258 10.7757 10.9396 10.9641 11.1101 11.1376 11.2156 11.2439 11.4296 11.4651 11.6086 11.6314 11.7693 11.7959 11.8832 11.9183 12.0251 12.0345 12.1136 12.1448 12.4045 12.4116 12.6395 12.6461 13.1363 13.1585 13.8659 13.8842 14.9902 15.0070 16.2302 16.2502 16.3503 16.3514 16.9894 16.9947 17.1359 17.1590 17.1632 17.1761 k = 0.3033 0.3033 0.3033 ( 3034 PWs) bands (ev): 1.9554 1.9556 3.7182 3.7237 4.4445 4.4533 5.6024 5.6030 6.3817 6.3828 7.4630 7.4737 8.3070 8.3182 9.2438 9.2499 9.4708 9.4723 10.1198 10.1224 10.1724 10.1796 10.4156 10.4191 10.4915 10.5386 10.7151 10.7282 10.7360 10.7828 10.9232 10.9447 11.1324 11.1588 11.2368 11.2651 11.4458 11.4846 11.6064 11.6270 11.7631 11.7854 11.8707 11.9132 12.0128 12.0237 12.1008 12.1283 12.4115 12.4200 12.6329 12.6377 13.1179 13.1380 13.7782 13.7961 15.0925 15.1075 16.3339 16.3538 16.4599 16.4627 17.0949 17.0973 17.2168 17.2303 17.2344 17.2470 k = 0.3115 0.3115 0.3115 ( 3034 PWs) bands (ev): 2.0526 2.0528 3.7107 3.7161 4.4319 4.4406 5.5506 5.5516 6.3374 6.3389 7.3904 7.4009 8.2382 8.2488 9.1553 9.1606 9.5324 9.5340 10.1288 10.1301 10.1691 10.1753 10.4241 10.4260 10.4848 10.5305 10.7140 10.7297 10.7450 10.7887 10.9056 10.9249 11.1564 11.1816 11.2588 11.2870 11.4621 11.5036 11.6060 11.6245 11.7570 11.7757 11.8591 11.9087 12.0008 12.0126 12.0895 12.1136 12.4185 12.4285 12.6266 12.6295 13.0991 13.1173 13.6934 13.7113 15.1996 15.2131 16.4421 16.4617 16.5674 16.5713 17.2053 17.2054 17.2998 17.3042 17.3106 17.3257 k = 0.3197 0.3197 0.3197 ( 3034 PWs) bands (ev): 2.1514 2.1517 3.7055 3.7109 4.4207 4.4295 5.4954 5.4968 6.3002 6.3021 7.3185 7.3288 8.1675 8.1776 9.0593 9.0641 9.5907 9.5927 10.1380 10.1382 10.1666 10.1719 10.4327 10.4335 10.4781 10.5223 10.7124 10.7300 10.7527 10.7930 10.8870 10.9046 11.1820 11.2061 11.2818 11.3097 11.4784 11.5219 11.6073 11.6236 11.7512 11.7668 11.8487 11.9045 11.9894 12.0014 12.0790 12.1002 12.4255 12.4370 12.6206 12.6216 13.0799 13.0964 13.6124 13.6302 15.3115 15.3237 16.5527 16.5720 16.6728 16.6774 17.3179 17.3199 17.3851 17.3860 17.3919 17.4086 k = 0.3279 0.3279 0.3279 ( 3025 PWs) bands (ev): 2.2518 2.2521 3.7026 3.7080 4.4110 4.4197 5.4372 5.4389 6.2700 6.2723 7.2478 7.2579 8.0955 8.1051 8.9567 8.9610 9.6459 9.6482 10.1468 10.1471 10.1654 10.1692 10.4413 10.4414 10.4713 10.5141 10.7103 10.7292 10.7589 10.7958 10.8678 10.8842 11.2090 11.2319 11.3055 11.3330 11.4944 11.5394 11.6102 11.6246 11.7458 11.7591 11.8393 11.9006 11.9791 11.9906 12.0692 12.0878 12.4325 12.4454 12.6142 12.6151 13.0603 13.0755 13.5352 13.5532 15.4283 15.4392 16.6638 16.6829 16.7762 16.7808 17.4336 17.4368 17.4732 17.4773 17.4798 17.4952 k = 0.3361 0.3361 0.3361 ( 3025 PWs) bands (ev): 2.3535 2.3539 3.7020 3.7074 4.4026 4.4113 5.3763 5.3783 6.2464 6.2491 7.1785 7.1884 8.0223 8.0314 8.8482 8.8522 9.6980 9.7007 10.1547 10.1558 10.1666 10.1673 10.4494 10.4498 10.4643 10.5058 10.7076 10.7273 10.7634 10.7969 10.8482 10.8636 11.2371 11.2589 11.3297 11.3565 11.5101 11.5559 11.6145 11.6272 11.7409 11.7526 11.8307 11.8969 11.9698 11.9801 12.0596 12.0761 12.4394 12.4538 12.6071 12.6100 13.0405 13.0544 13.4619 13.4801 15.5497 15.5595 16.7736 16.7926 16.8779 16.8821 17.5486 17.5503 17.5704 17.5715 17.5799 17.5888 k = 0.3443 0.3443 0.3443 ( 3028 PWs) bands (ev): 2.4565 2.4569 3.7038 3.7091 4.3956 4.4042 5.3132 5.3154 6.2291 6.2322 7.1109 7.1206 7.9483 7.9570 8.7347 8.7383 9.7470 9.7501 10.1583 10.1651 10.1660 10.1726 10.4571 10.4574 10.4576 10.4980 10.7044 10.7246 10.7661 10.7963 10.8283 10.8429 11.2661 11.2868 11.3543 11.3803 11.5253 11.5713 11.6199 11.6315 11.7367 11.7475 11.8231 11.8933 11.9616 11.9703 12.0501 12.0649 12.4463 12.4620 12.6005 12.6052 13.0204 13.0333 13.3924 13.4109 15.6757 15.6845 16.8808 16.8998 16.9782 16.9817 17.6444 17.6622 17.6677 17.6862 17.6934 17.6949 k = 0.3525 0.3525 0.3525 ( 3034 PWs) bands (ev): 2.5606 2.5610 3.7080 3.7133 4.3896 4.3982 5.2484 5.2509 6.2177 6.2210 7.0453 7.0549 7.8737 7.8821 8.6168 8.6202 9.7932 9.7966 10.1596 10.1656 10.1748 10.1819 10.4497 10.4630 10.4658 10.4916 10.7008 10.7211 10.7668 10.7939 10.8086 10.8223 11.2958 11.3155 11.3792 11.4042 11.5400 11.5852 11.6263 11.6376 11.7332 11.7437 11.8163 11.8897 11.9546 11.9611 12.0405 12.0539 12.4532 12.4701 12.5944 12.6009 13.0001 13.0122 13.3268 13.3456 15.8062 15.8140 16.9843 17.0036 17.0776 17.0799 17.7367 17.7525 17.7891 17.8065 17.8128 17.8134 k = 0.3607 0.3607 0.3607 ( 3034 PWs) bands (ev): 2.6654 2.6659 3.7145 3.7197 4.3848 4.3933 5.1825 5.1852 6.2116 6.2152 6.9820 6.9914 7.7989 7.8070 8.4955 8.4986 9.8365 9.8403 10.1610 10.1660 10.1848 10.1923 10.4420 10.4638 10.4740 10.4897 10.6967 10.7169 10.7650 10.7897 10.7900 10.8018 11.3261 11.3448 11.4044 11.4282 11.5542 11.5976 11.6335 11.6456 11.7306 11.7415 11.8102 11.8863 11.9486 11.9527 12.0309 12.0430 12.4601 12.4782 12.5889 12.5971 12.9795 12.9910 13.2648 13.2840 15.9410 15.9480 17.0839 17.1036 17.1764 17.1772 17.8293 17.8435 17.9148 17.9259 17.9377 17.9409 k = 0.3689 0.3689 0.3689 ( 3034 PWs) bands (ev): 2.7708 2.7714 3.7233 3.7285 4.3808 4.3892 5.1159 5.1188 6.2104 6.2143 6.9213 6.9306 7.7241 7.7318 8.3714 8.3744 9.8772 9.8814 10.1628 10.1672 10.1952 10.2031 10.4342 10.4586 10.4822 10.4933 10.6922 10.7122 10.7582 10.7743 10.7818 10.7845 11.3564 11.3744 11.4296 11.4520 11.5678 11.6085 11.6413 11.6551 11.7291 11.7408 11.8048 11.8829 11.9436 11.9450 12.0211 12.0322 12.4670 12.4862 12.5839 12.5937 12.9589 12.9698 13.2063 13.2257 16.0801 16.0862 17.1796 17.1997 17.2739 17.2747 17.9225 17.9351 18.0377 18.0427 18.0713 18.0780 k = 0.3770 0.3770 0.3770 ( 3040 PWs) bands (ev): 2.8766 2.8772 3.7344 3.7395 4.3775 4.3858 5.0490 5.0521 6.2139 6.2179 6.8636 6.8728 7.6494 7.6570 8.2453 8.2482 9.9154 9.9199 10.1651 10.1691 10.2057 10.2140 10.4260 10.4501 10.4902 10.4996 10.6873 10.7071 10.7435 10.7621 10.7655 10.7775 11.3866 11.4040 11.4546 11.4755 11.5807 11.6181 11.6496 11.6658 11.7286 11.7417 11.8000 11.8795 11.9379 11.9394 12.0112 12.0214 12.4740 12.4942 12.5796 12.5908 12.9382 12.9487 13.1511 13.1708 16.2232 16.2284 17.2718 17.2926 17.3702 17.3728 18.0161 18.0271 18.1533 18.1554 18.2158 18.2224 k = 0.3852 0.3852 0.3852 ( 3034 PWs) bands (ev): 2.9823 2.9830 3.7479 3.7530 4.3747 4.3829 4.9823 4.9856 6.2215 6.2257 6.8093 6.8183 7.5753 7.5826 8.1181 8.1210 9.9513 9.9563 10.1682 10.1718 10.2165 10.2251 10.4176 10.4405 10.4982 10.5066 10.6820 10.7015 10.7256 10.7430 10.7587 10.7692 11.4165 11.4335 11.4795 11.4985 11.5931 11.6268 11.6585 11.6774 11.7292 11.7440 11.7959 11.8762 11.9314 11.9359 12.0011 12.0106 12.4813 12.5023 12.5760 12.5886 12.9175 12.9278 13.0990 13.1190 16.3701 16.3745 17.3611 17.3826 17.4663 17.4709 18.1097 18.1191 18.2623 18.2629 18.3673 18.3720 k = 0.3934 0.3934 0.3934 ( 3034 PWs) bands (ev): 3.0877 3.0885 3.7636 3.7687 4.3723 4.3803 4.9160 4.9194 6.2332 6.2375 6.7586 6.7675 7.5017 7.5088 7.9905 7.9933 9.9851 9.9904 10.1720 10.1753 10.2274 10.2361 10.4088 10.4302 10.5060 10.5139 10.6761 10.6956 10.7073 10.7247 10.7513 10.7596 11.4456 11.4625 11.5039 11.5209 11.6047 11.6348 11.6676 11.6893 11.7309 11.7477 11.7922 11.8728 11.9253 11.9327 11.9909 11.9996 12.4887 12.5105 12.5730 12.5868 12.8966 12.9068 13.0498 13.0700 16.5206 16.5242 17.4482 17.4704 17.5622 17.5690 18.2029 18.2108 18.3641 18.3647 18.5222 18.5234 k = 0.4016 0.4016 0.4016 ( 3034 PWs) bands (ev): 3.1923 3.1932 3.7817 3.7867 4.3698 4.3777 4.8504 4.8539 6.2485 6.2530 6.7120 6.7208 7.4290 7.4359 7.8633 7.8661 10.0169 10.0226 10.1765 10.1796 10.2382 10.2470 10.3997 10.4194 10.5137 10.5212 10.6694 10.6894 10.6895 10.7075 10.7428 10.7488 11.4739 11.4909 11.5278 11.5426 11.6158 11.6423 11.6771 11.7013 11.7336 11.7526 11.7890 11.8695 11.9195 11.9297 11.9805 11.9886 12.4965 12.5189 12.5709 12.5858 12.8758 12.8860 13.0035 13.0238 16.6744 16.6772 17.5337 17.5565 17.6581 17.6671 18.2951 18.3014 18.4584 18.4598 18.6716 18.6757 k = 0.4098 0.4098 0.4098 ( 3034 PWs) bands (ev): 3.2957 3.2967 3.8021 3.8070 4.3670 4.3748 4.7858 4.7893 6.2674 6.2721 6.6700 6.6786 7.3573 7.3640 7.7372 7.7401 10.0469 10.0528 10.1816 10.1845 10.2489 10.2576 10.3904 10.4083 10.5213 10.5284 10.6616 10.6724 10.6829 10.6920 10.7332 10.7372 11.5012 11.5183 11.5508 11.5633 11.6261 11.6494 11.6871 11.7132 11.7372 11.7585 11.7864 11.8661 11.9139 11.9266 11.9700 11.9775 12.5047 12.5276 12.5696 12.5854 12.8550 12.8653 12.9599 12.9802 16.8312 16.8331 17.6179 17.6415 17.7538 17.7651 18.3855 18.3902 18.5452 18.5471 18.8066 18.8191 k = 0.4180 0.4180 0.4180 ( 3040 PWs) bands (ev): 3.3973 3.3985 3.8247 3.8296 4.3636 4.3712 4.7222 4.7258 6.2897 6.2944 6.6331 6.6415 7.2868 7.2933 7.6131 7.6160 10.0751 10.0813 10.1874 10.1902 10.2592 10.2676 10.3807 10.3968 10.5288 10.5355 10.6522 10.6563 10.6763 10.6787 10.7227 10.7247 11.5270 11.5444 11.5727 11.5829 11.6359 11.6560 11.6975 11.7248 11.7418 11.7653 11.7844 11.8627 11.9083 11.9233 11.9593 11.9662 12.5133 12.5366 12.5692 12.5858 12.8343 12.8447 12.9188 12.9392 16.9907 16.9918 17.7012 17.7256 17.8493 17.8629 18.4732 18.4765 18.6241 18.6264 18.9099 18.9339 k = 0.4262 0.4262 0.4262 ( 3052 PWs) bands (ev): 3.4965 3.4980 3.8496 3.8545 4.3591 4.3665 4.6598 4.6636 6.3152 6.3200 6.6017 6.6099 7.2175 7.2239 7.4918 7.4949 10.1016 10.1080 10.1938 10.1965 10.2688 10.2767 10.3706 10.3851 10.5361 10.5425 10.6411 10.6413 10.6678 10.6693 10.7113 10.7115 11.5514 11.5689 11.5930 11.6012 11.6450 11.6620 11.7086 11.7360 11.7471 11.7728 11.7831 11.8593 11.9026 11.9195 11.9487 11.9547 12.5225 12.5460 12.5697 12.5870 12.8136 12.8244 12.8804 12.9007 17.1525 17.1526 17.7840 17.8092 17.9442 17.9602 18.5574 18.5592 18.6951 18.6976 18.9616 18.9950 k = 0.4344 0.4344 0.4344 ( 3049 PWs) bands (ev): 3.5928 3.5945 3.8768 3.8816 4.3531 4.3602 4.5989 4.6028 6.3438 6.3487 6.5764 6.5845 7.1497 7.1560 7.3742 7.3774 10.1267 10.1333 10.2008 10.2035 10.2778 10.2849 10.3604 10.3734 10.5434 10.5496 10.6280 10.6295 10.6589 10.6623 10.6981 10.6993 11.5743 11.5916 11.6115 11.6181 11.6535 11.6676 11.7205 11.7468 11.7533 11.7808 11.7828 11.8561 11.8968 11.9152 11.9381 11.9433 12.5324 12.5560 12.5714 12.5893 12.7933 12.8044 12.8444 12.8645 17.3151 17.3162 17.8662 17.8922 18.0383 18.0568 18.6367 18.6373 18.7581 18.7604 18.9642 19.0006 k = 0.4426 0.4426 0.4426 ( 3061 PWs) bands (ev): 3.6854 3.6873 3.9062 3.9110 4.3450 4.3519 4.5395 4.5435 6.3753 6.3804 6.5580 6.5658 7.0835 7.0896 7.2611 7.2644 10.1503 10.1571 10.2083 10.2111 10.2854 10.2915 10.3500 10.3614 10.5506 10.5565 10.6165 10.6183 10.6511 10.6552 10.6843 10.6868 11.5953 11.6119 11.6278 11.6332 11.6614 11.6726 11.7331 11.7570 11.7601 11.7835 11.7892 11.8530 11.8906 11.9100 11.9276 11.9317 12.5429 12.5665 12.5742 12.5926 12.7732 12.7846 12.8107 12.8306 17.4788 17.4811 17.9480 17.9748 18.1310 18.1522 18.7096 18.7101 18.8133 18.8150 18.9367 18.9733 k = 0.4508 0.4508 0.4508 ( 3061 PWs) bands (ev): 3.7736 3.7757 3.9379 3.9426 4.3342 4.3408 4.4818 4.4858 6.4098 6.4149 6.5470 6.5545 7.0189 7.0249 7.1535 7.1570 10.1725 10.1794 10.2165 10.2194 10.2916 10.2964 10.3394 10.3495 10.5577 10.5634 10.6073 10.6085 10.6437 10.6480 10.6707 10.6741 11.6145 11.6295 11.6418 11.6466 11.6686 11.6769 11.7464 11.7666 11.7676 11.7857 11.7978 11.8502 11.8842 11.9038 11.9174 11.9200 12.5542 12.5777 12.5782 12.5972 12.7535 12.7653 12.7797 12.7991 17.6428 17.6466 18.0293 18.0570 18.2217 18.2455 18.7749 18.7764 18.8604 18.8607 18.8931 18.9303 k = 0.4590 0.4590 0.4590 ( 3061 PWs) bands (ev): 3.8566 3.8590 3.9717 3.9764 4.3200 4.3263 4.4257 4.4298 6.4470 6.4523 6.5441 6.5514 6.9561 6.9621 7.0523 7.0561 10.1934 10.2002 10.2250 10.2282 10.2958 10.2992 10.3287 10.3375 10.5648 10.5703 10.6005 10.6007 10.6367 10.6407 10.6574 10.6614 11.6316 11.6441 11.6535 11.6579 11.6748 11.6805 11.7598 11.7753 11.7759 11.7895 11.8066 11.8479 11.8775 11.8965 11.9075 11.9082 12.5661 12.5836 12.5895 12.6032 12.7342 12.7464 12.7512 12.7700 17.8062 17.8118 18.1101 18.1386 18.3091 18.3358 18.8313 18.8344 18.8409 18.8672 18.9005 18.9085 k = 0.4672 0.4672 0.4672 ( 3061 PWs) bands (ev): 3.9337 3.9365 4.0078 4.0124 4.3018 4.3078 4.3714 4.3756 6.4870 6.4923 6.5500 6.5570 6.8953 6.9011 6.9584 6.9625 10.2127 10.2195 10.2341 10.2375 10.2978 10.2995 10.3180 10.3255 10.5718 10.5770 10.5954 10.5964 10.6298 10.6333 10.6447 10.6490 11.6464 11.6559 11.6630 11.6672 11.6797 11.6831 11.7727 11.7830 11.7849 11.7946 11.8155 11.8463 11.8706 11.8884 11.8963 11.8978 12.5787 12.5904 12.6021 12.6108 12.7155 12.7252 12.7279 12.7433 17.9675 17.9754 18.1900 18.2195 18.3914 18.4211 18.7803 18.8107 18.8810 18.8832 18.9326 18.9360 k = 0.4754 0.4754 0.4754 ( 3049 PWs) bands (ev): 4.0043 4.0075 4.0460 4.0505 4.2787 4.2843 4.3190 4.3233 6.5296 6.5350 6.5653 6.5720 6.8364 6.8421 6.8728 6.8772 10.2306 10.2371 10.2436 10.2474 10.2971 10.2973 10.3074 10.3137 10.5786 10.5834 10.5933 10.5953 10.6232 10.6258 10.6333 10.6371 11.6590 11.6652 11.6705 11.6743 11.6829 11.6848 11.7841 11.7896 11.7946 11.8007 11.8250 11.8459 11.8640 11.8799 11.8846 11.8880 12.5918 12.5986 12.6154 12.6201 12.6976 12.7021 12.7100 12.7189 18.1242 18.1355 18.2690 18.2997 18.4648 18.4975 18.7165 18.7463 18.9202 18.9224 18.9570 18.9590 k = 0.4836 0.4836 0.4836 ( 3034 PWs) bands (ev): 4.0680 4.0715 4.0864 4.0908 4.2500 4.2553 4.2685 4.2729 6.5747 6.5803 6.5906 6.5970 6.7797 6.7853 6.7963 6.8009 10.2469 10.2529 10.2534 10.2578 10.2921 10.2938 10.2969 10.3020 10.5853 10.5884 10.5953 10.5970 10.6167 10.6179 10.6235 10.6260 11.6691 11.6724 11.6760 11.6790 11.6843 11.6854 11.7929 11.7949 11.8043 11.8071 11.8349 11.8472 11.8581 11.8714 11.8733 11.8778 12.6051 12.6080 12.6296 12.6313 12.6810 12.6820 12.6927 12.6969 18.2719 18.2884 18.3464 18.3787 18.5215 18.5562 18.6495 18.6778 18.9497 18.9516 18.9734 18.9744 k = 0.4918 0.4918 0.4918 ( 3016 PWs) bands (ev): 4.1244 4.1281 4.1288 4.1331 4.2151 4.2199 4.2201 4.2245 6.6222 6.6261 6.6280 6.6323 6.7252 6.7295 6.7306 6.7344 10.2612 10.2631 10.2669 10.2685 10.2847 10.2868 10.2877 10.2905 10.5911 10.5918 10.6009 10.6013 10.6110 10.6110 10.6153 10.6163 11.6766 11.6778 11.6798 11.6815 11.6838 11.6844 11.7982 11.7984 11.8120 11.8125 11.8454 11.8508 11.8548 11.8633 11.8634 11.8672 12.6170 12.6175 12.6443 12.6445 12.6664 12.6669 12.6760 12.6772 18.4004 18.4206 18.4266 18.4564 18.5455 18.5771 18.5815 18.6063 18.9696 18.9709 18.9815 18.9816 k = 0.5000 0.5000 0.5000 ( 3016 PWs) bands (ev): 4.1733 4.1733 4.1734 4.1734 4.1734 4.1734 4.1821 4.1821 6.6670 6.6670 6.6781 6.6781 6.6781 6.6781 6.6781 6.6781 10.2700 10.2700 10.2789 10.2789 10.2790 10.2790 10.2790 10.2790 10.5938 10.5938 10.6078 10.6078 10.6078 10.6078 10.6078 10.6078 11.6816 11.6816 11.6816 11.6816 11.6816 11.6816 11.7997 11.7997 11.8149 11.8149 11.8563 11.8563 11.8563 11.8563 11.8563 11.8563 12.6226 12.6226 12.6598 12.6598 12.6598 12.6598 12.6598 12.6598 18.4721 18.4721 18.5323 18.5323 18.5324 18.5324 18.5324 18.5324 18.9802 18.9802 18.9803 18.9805 k = 0.5000 0.5000 0.5000 ( 3016 PWs) bands (ev): 4.1733 4.1733 4.1734 4.1734 4.1734 4.1734 4.1821 4.1821 6.6670 6.6670 6.6781 6.6781 6.6781 6.6781 6.6781 6.6781 10.2700 10.2700 10.2789 10.2789 10.2790 10.2790 10.2790 10.2790 10.5938 10.5938 10.6078 10.6078 10.6078 10.6078 10.6078 10.6078 11.6816 11.6816 11.6816 11.6816 11.6816 11.6816 11.7997 11.7997 11.8149 11.8149 11.8563 11.8563 11.8563 11.8563 11.8563 11.8563 12.6226 12.6226 12.6598 12.6598 12.6598 12.6598 12.6598 12.6598 18.4721 18.4721 18.5323 18.5323 18.5324 18.5324 18.5324 18.5324 18.9802 18.9802 18.9803 18.9805 k = 0.4900 0.5000 0.4900 ( 3016 PWs) bands (ev): 4.1268 4.1268 4.1308 4.1308 4.2174 4.2174 4.2221 4.2222 6.6243 6.6243 6.6303 6.6303 6.7272 6.7272 6.7323 6.7323 10.2621 10.2621 10.2678 10.2678 10.2855 10.2855 10.2894 10.2894 10.5915 10.5915 10.6011 10.6011 10.6110 10.6110 10.6157 10.6158 11.6771 11.6772 11.6807 11.6807 11.6841 11.6842 11.7983 11.7983 11.8123 11.8123 11.8473 11.8473 11.8589 11.8590 11.8661 11.8662 12.6173 12.6173 12.6444 12.6445 12.6665 12.6666 12.6765 12.6766 18.4102 18.4102 18.4402 18.4403 18.5645 18.5646 18.5919 18.5920 18.9748 18.9749 18.9779 18.9779 k = 0.4800 0.5000 0.4800 ( 3040 PWs) bands (ev): 4.0774 4.0775 4.0813 4.0814 4.2591 4.2591 4.2638 4.2639 6.5829 6.5829 6.5888 6.5889 6.7876 6.7876 6.7927 6.7927 10.2497 10.2498 10.2556 10.2557 10.2936 10.2937 10.2988 10.2988 10.5871 10.5871 10.5956 10.5956 10.6176 10.6176 10.6246 10.6246 11.6705 11.6705 11.6778 11.6778 11.6847 11.6848 11.7937 11.7937 11.8059 11.8059 11.8395 11.8395 11.8653 11.8653 11.8763 11.8763 12.6066 12.6067 12.6305 12.6305 12.6812 12.6813 12.6946 12.6947 18.3047 18.3048 18.3262 18.3262 18.5888 18.5888 18.6176 18.6177 18.9651 18.9651 18.9704 18.9705 k = 0.4700 0.5000 0.4700 ( 3044 PWs) bands (ev): 4.0253 4.0253 4.0290 4.0290 4.2988 4.2988 4.3036 4.3036 6.5477 6.5477 6.5537 6.5537 6.8542 6.8542 6.8591 6.8592 10.2361 10.2362 10.2428 10.2429 10.3009 10.3009 10.3074 10.3074 10.5828 10.5829 10.5916 10.5917 10.6259 10.6260 10.6345 10.6346 11.6619 11.6620 11.6731 11.6731 11.6837 11.6837 11.7860 11.7860 11.7984 11.7984 11.8334 11.8335 11.8735 11.8736 11.8867 11.8867 12.5954 12.5955 12.6180 12.6180 12.6995 12.6995 12.7143 12.7143 18.1830 18.1831 18.1994 18.1994 18.5931 18.5931 18.6191 18.6192 18.9500 18.9501 18.9576 18.9577 k = 0.4600 0.5000 0.4600 ( 3052 PWs) bands (ev): 3.9704 3.9704 3.9738 3.9739 4.3368 4.3368 4.3417 4.3417 6.5187 6.5187 6.5247 6.5248 6.9266 6.9267 6.9314 6.9315 10.2215 10.2215 10.2291 10.2292 10.3069 10.3069 10.3149 10.3150 10.5792 10.5793 10.5890 10.5890 10.6353 10.6353 10.6453 10.6454 11.6513 11.6513 11.6663 11.6664 11.6810 11.6810 11.7759 11.7759 11.7907 11.7907 11.8288 11.8288 11.8825 11.8825 11.8969 11.8970 12.5848 12.5848 12.6067 12.6068 12.7198 12.7198 12.7353 12.7354 18.0520 18.0521 18.0652 18.0652 18.5825 18.5826 18.6051 18.6052 18.9303 18.9303 18.9398 18.9399 k = 0.4500 0.5000 0.4500 ( 3052 PWs) bands (ev): 3.9127 3.9127 3.9159 3.9160 4.3736 4.3736 4.3785 4.3785 6.4957 6.4957 6.5017 6.5018 7.0046 7.0046 7.0092 7.0093 10.2061 10.2061 10.2146 10.2147 10.3118 10.3118 10.3214 10.3214 10.5765 10.5765 10.5877 10.5877 10.6455 10.6456 10.6569 10.6569 11.6387 11.6387 11.6575 11.6575 11.6769 11.6769 11.7642 11.7642 11.7832 11.7832 11.8252 11.8253 11.8917 11.8917 11.9070 11.9071 12.5751 12.5752 12.5969 12.5969 12.7419 12.7419 12.7578 12.7579 17.9153 17.9154 17.9266 17.9266 18.5600 18.5600 18.5796 18.5797 18.9066 18.9066 18.9176 18.9177 k = 0.4400 0.5000 0.4400 ( 3052 PWs) bands (ev): 3.8524 3.8524 3.8554 3.8555 4.4094 4.4094 4.4143 4.4143 6.4784 6.4784 6.4845 6.4845 7.0876 7.0877 7.0922 7.0922 10.1898 10.1899 10.1993 10.1994 10.3156 10.3156 10.3266 10.3267 10.5747 10.5748 10.5876 10.5876 10.6564 10.6565 10.6691 10.6691 11.6241 11.6242 11.6464 11.6464 11.6715 11.6715 11.7515 11.7515 11.7761 11.7762 11.8223 11.8223 11.9009 11.9009 11.9169 11.9169 12.5664 12.5665 12.5882 12.5882 12.7655 12.7655 12.7817 12.7818 17.7750 17.7750 17.7854 17.7854 18.5267 18.5267 18.5437 18.5438 18.8797 18.8797 18.8918 18.8918 k = 0.4300 0.5000 0.4300 ( 3052 PWs) bands (ev): 3.7898 3.7898 3.7926 3.7926 4.4446 4.4447 4.4496 4.4496 6.4666 6.4666 6.4727 6.4727 7.1754 7.1754 7.1798 7.1798 10.1728 10.1729 10.1832 10.1833 10.3184 10.3184 10.3308 10.3309 10.5739 10.5739 10.5886 10.5886 10.6679 10.6679 10.6818 10.6818 11.6078 11.6078 11.6333 11.6333 11.6648 11.6649 11.7381 11.7381 11.7697 11.7697 11.8197 11.8197 11.9101 11.9101 11.9264 11.9264 12.5587 12.5587 12.5807 12.5807 12.7905 12.7905 12.8070 12.8071 17.6325 17.6326 17.6427 17.6428 18.4827 18.4827 18.4976 18.4976 18.8503 18.8503 18.8629 18.8629 k = 0.4200 0.5000 0.4200 ( 3040 PWs) bands (ev): 3.7250 3.7251 3.7276 3.7276 4.4797 4.4797 4.4846 4.4846 6.4600 6.4600 6.4660 6.4660 7.2673 7.2674 7.2716 7.2716 10.1551 10.1552 10.1664 10.1664 10.3203 10.3203 10.3341 10.3341 10.5739 10.5739 10.5906 10.5907 10.6798 10.6798 10.6948 10.6949 11.5900 11.5900 11.6182 11.6182 11.6572 11.6572 11.7244 11.7244 11.7641 11.7641 11.8173 11.8173 11.9193 11.9193 11.9358 11.9358 12.5519 12.5520 12.5742 12.5742 12.8170 12.8171 12.8338 12.8338 17.4889 17.4889 17.4995 17.4995 18.4278 18.4279 18.4410 18.4410 18.8189 18.8189 18.8315 18.8315 k = 0.4100 0.5000 0.4100 ( 3040 PWs) bands (ev): 3.6585 3.6585 3.6608 3.6609 4.5148 4.5148 4.5197 4.5197 6.4583 6.4583 6.4642 6.4643 7.3630 7.3631 7.3672 7.3673 10.1366 10.1366 10.1486 10.1486 10.3213 10.3214 10.3363 10.3363 10.5747 10.5747 10.5934 10.5935 10.6920 10.6920 10.7081 10.7081 11.5706 11.5706 11.6013 11.6013 11.6486 11.6486 11.7103 11.7103 11.7592 11.7592 11.8150 11.8150 11.9284 11.9284 11.9448 11.9448 12.5459 12.5460 12.5685 12.5686 12.8448 12.8448 12.8618 12.8618 17.3449 17.3449 17.3562 17.3562 18.3617 18.3618 18.3738 18.3738 18.7857 18.7857 18.7981 18.7981 k = 0.4000 0.5000 0.4000 ( 3032 PWs) bands (ev): 3.5904 3.5904 3.5926 3.5926 4.5503 4.5503 4.5551 4.5551 6.4612 6.4612 6.4670 6.4670 7.4620 7.4620 7.4661 7.4661 10.1173 10.1173 10.1301 10.1301 10.3218 10.3218 10.3377 10.3378 10.5763 10.5763 10.5970 10.5970 10.7043 10.7043 10.7214 10.7214 11.5500 11.5500 11.5828 11.5828 11.6392 11.6392 11.6961 11.6961 11.7549 11.7550 11.8128 11.8128 11.9375 11.9375 11.9537 11.9537 12.5407 12.5408 12.5638 12.5638 12.8739 12.8740 12.8912 12.8912 17.2011 17.2011 17.2133 17.2133 18.2843 18.2844 18.2961 18.2962 18.7508 18.7508 18.7628 18.7628 k = 0.3900 0.5000 0.3900 ( 3028 PWs) bands (ev): 3.5211 3.5212 3.5231 3.5232 4.5864 4.5864 4.5911 4.5912 6.4683 6.4684 6.4741 6.4741 7.5637 7.5637 7.5678 7.5678 10.0970 10.0971 10.1106 10.1106 10.3218 10.3218 10.3385 10.3385 10.5784 10.5784 10.6011 10.6012 10.7166 10.7166 10.7346 10.7346 11.5283 11.5283 11.5630 11.5630 11.6291 11.6291 11.6819 11.6819 11.7513 11.7513 11.8107 11.8107 11.9465 11.9465 11.9624 11.9624 12.5361 12.5362 12.5597 12.5597 12.9044 12.9044 12.9220 12.9220 17.0581 17.0582 17.0714 17.0714 18.1959 18.1959 18.2083 18.2083 18.7141 18.7141 18.7258 18.7258 k = 0.3800 0.5000 0.3800 ( 3032 PWs) bands (ev): 3.4510 3.4511 3.4528 3.4529 4.6233 4.6233 4.6280 4.6280 6.4796 6.4796 6.4852 6.4852 7.6675 7.6676 7.6717 7.6717 10.0759 10.0759 10.0901 10.0901 10.3212 10.3213 10.3387 10.3387 10.5809 10.5809 10.6057 10.6057 10.7288 10.7288 10.7475 10.7476 11.5057 11.5057 11.5420 11.5420 11.6184 11.6184 11.6678 11.6678 11.7482 11.7482 11.8086 11.8087 11.9555 11.9555 11.9710 11.9710 12.5321 12.5321 12.5561 12.5561 12.9362 12.9362 12.9541 12.9541 16.9164 16.9164 16.9308 16.9308 18.0972 18.0972 18.1106 18.1106 18.6756 18.6756 18.6871 18.6872 k = 0.3700 0.5000 0.3700 ( 3034 PWs) bands (ev): 3.3803 3.3804 3.3820 3.3820 4.6612 4.6612 4.6658 4.6659 6.4945 6.4946 6.5001 6.5001 7.7731 7.7732 7.7773 7.7773 10.0537 10.0537 10.0685 10.0685 10.3205 10.3205 10.3384 10.3384 10.5838 10.5838 10.6105 10.6105 10.7407 10.7408 10.7601 10.7602 11.4824 11.4825 11.5201 11.5201 11.6073 11.6073 11.6539 11.6540 11.7457 11.7457 11.8068 11.8068 11.9645 11.9645 11.9796 11.9797 12.5285 12.5286 12.5530 12.5530 12.9694 12.9695 12.9877 12.9877 16.7763 16.7763 16.7918 16.7918 17.9891 17.9891 18.0038 18.0039 18.6353 18.6353 18.6470 18.6470 k = 0.3600 0.5000 0.3600 ( 3034 PWs) bands (ev): 3.3093 3.3094 3.3109 3.3109 4.7002 4.7002 4.7049 4.7049 6.5131 6.5131 6.5185 6.5186 7.8799 7.8800 7.8842 7.8842 10.0304 10.0305 10.0459 10.0459 10.3196 10.3196 10.3379 10.3379 10.5869 10.5869 10.6155 10.6156 10.7523 10.7523 10.7722 10.7722 11.4587 11.4587 11.4974 11.4975 11.5958 11.5959 11.6405 11.6405 11.7437 11.7437 11.8051 11.8051 11.9736 11.9736 11.9884 11.9884 12.5253 12.5254 12.5503 12.5503 13.0041 13.0041 13.0228 13.0228 16.6381 16.6381 16.6548 16.6548 17.8730 17.8730 17.8890 17.8890 18.5933 18.5933 18.6054 18.6054 k = 0.3500 0.5000 0.3500 ( 3022 PWs) bands (ev): 3.2383 3.2384 3.2398 3.2398 4.7405 4.7405 4.7452 4.7452 6.5350 6.5350 6.5403 6.5403 7.9874 7.9874 7.9918 7.9918 10.0061 10.0061 10.0221 10.0221 10.3187 10.3188 10.3374 10.3374 10.5901 10.5901 10.6207 10.6207 10.7634 10.7634 10.7837 10.7837 11.4347 11.4347 11.4744 11.4744 11.5842 11.5843 11.6277 11.6277 11.7423 11.7423 11.8038 11.8038 11.9828 11.9829 11.9974 11.9974 12.5225 12.5225 12.5479 12.5479 13.0404 13.0404 13.0596 13.0596 16.5022 16.5022 16.5201 16.5201 17.7501 17.7501 17.7672 17.7673 18.5499 18.5499 18.5625 18.5625 k = 0.3400 0.5000 0.3400 ( 3018 PWs) bands (ev): 3.1676 3.1676 3.1689 3.1689 4.7822 4.7822 4.7868 4.7869 6.5600 6.5600 6.5652 6.5652 8.0949 8.0949 8.0995 8.0996 9.9804 9.9804 9.9969 9.9969 10.3179 10.3179 10.3367 10.3367 10.5933 10.5934 10.6258 10.6258 10.7739 10.7739 10.7944 10.7945 11.4105 11.4105 11.4509 11.4509 11.5725 11.5725 11.6154 11.6155 11.7414 11.7414 11.8027 11.8027 11.9921 11.9921 12.0066 12.0066 12.5198 12.5198 12.5456 12.5456 13.0783 13.0783 13.0979 13.0980 16.3688 16.3689 16.3879 16.3879 17.6218 17.6218 17.6399 17.6399 18.5053 18.5053 18.5185 18.5186 k = 0.3300 0.5000 0.3300 ( 3032 PWs) bands (ev): 3.0973 3.0973 3.0985 3.0985 4.8253 4.8254 4.8299 4.8300 6.5879 6.5880 6.5930 6.5930 8.2019 8.2020 8.2069 8.2069 9.9531 9.9532 9.9701 9.9701 10.3171 10.3171 10.3360 10.3360 10.5964 10.5964 10.6306 10.6306 10.7835 10.7835 10.8042 10.8042 11.3863 11.3863 11.4271 11.4271 11.5605 11.5606 11.6038 11.6038 11.7410 11.7410 11.8019 11.8020 12.0013 12.0013 12.0161 12.0161 12.5171 12.5172 12.5434 12.5434 13.1179 13.1179 13.1380 13.1380 16.2383 16.2383 16.2585 16.2585 17.4893 17.4893 17.5081 17.5081 18.4597 18.4598 18.4737 18.4737 k = 0.3200 0.5000 0.3200 ( 3032 PWs) bands (ev): 3.0277 3.0277 3.0288 3.0289 4.8700 4.8700 4.8746 4.8746 6.6187 6.6187 6.6236 6.6237 8.3080 8.3081 8.3133 8.3133 9.9245 9.9245 9.9419 9.9419 10.3166 10.3166 10.3356 10.3356 10.5993 10.5993 10.6352 10.6352 10.7925 10.7925 10.8131 10.8132 11.3623 11.3623 11.4034 11.4034 11.5487 11.5488 11.5930 11.5930 11.7414 11.7414 11.8018 11.8018 12.0108 12.0108 12.0261 12.0261 12.5146 12.5146 12.5412 12.5412 13.1593 13.1594 13.1800 13.1800 16.1109 16.1109 16.1322 16.1322 17.3539 17.3539 17.3733 17.3733 18.4135 18.4136 18.4282 18.4283 k = 0.3100 0.5000 0.3100 ( 3036 PWs) bands (ev): 2.9590 2.9590 2.9600 2.9601 4.9162 4.9162 4.9208 4.9208 6.6520 6.6520 6.6568 6.6569 8.4125 8.4125 8.4182 8.4182 9.8941 9.8941 9.9119 9.9119 10.3163 10.3163 10.3354 10.3354 10.6020 10.6020 10.6394 10.6394 10.8006 10.8007 10.8212 10.8212 11.3386 11.3386 11.3797 11.3797 11.5370 11.5371 11.5829 11.5829 11.7426 11.7426 11.8022 11.8023 12.0203 12.0203 12.0365 12.0366 12.5120 12.5120 12.5389 12.5389 13.2028 13.2028 13.2240 13.2240 15.9867 15.9867 16.0092 16.0092 17.2167 17.2167 17.2365 17.2365 18.3670 18.3670 18.3824 18.3824 k = 0.3000 0.5000 0.3000 ( 3040 PWs) bands (ev): 2.8913 2.8913 2.8923 2.8923 4.9640 4.9640 4.9686 4.9686 6.6878 6.6878 6.6925 6.6925 8.5148 8.5149 8.5210 8.5211 9.8621 9.8621 9.8802 9.8802 10.3163 10.3163 10.3355 10.3355 10.6043 10.6043 10.6431 10.6431 10.8079 10.8080 10.8282 10.8283 11.3155 11.3155 11.3563 11.3563 11.5255 11.5256 11.5735 11.5735 11.7445 11.7445 11.8034 11.8034 12.0300 12.0300 12.0475 12.0475 12.5092 12.5092 12.5365 12.5365 13.2484 13.2484 13.2701 13.2701 15.8661 15.8661 15.8897 15.8897 17.0788 17.0788 17.0990 17.0990 18.3202 18.3203 18.3364 18.3364 k = 0.2900 0.5000 0.2900 ( 3036 PWs) bands (ev): 2.8248 2.8249 2.8257 2.8258 5.0134 5.0134 5.0180 5.0181 6.7259 6.7259 6.7304 6.7304 8.6144 8.6144 8.6212 8.6213 9.8282 9.8283 9.8467 9.8467 10.3167 10.3167 10.3359 10.3359 10.6064 10.6064 10.6462 10.6463 10.8144 10.8145 10.8344 10.8344 11.2931 11.2931 11.3334 11.3335 11.5143 11.5144 11.5648 11.5648 11.7474 11.7474 11.8054 11.8055 12.0400 12.0400 12.0590 12.0590 12.5063 12.5063 12.5339 12.5339 13.2962 13.2962 13.3185 13.3185 15.7492 15.7492 15.7739 15.7740 16.9412 16.9412 16.9616 16.9616 18.2736 18.2736 18.2904 18.2904 k = 0.2800 0.5000 0.2800 ( 3040 PWs) bands (ev): 2.7597 2.7597 2.7606 2.7606 5.0644 5.0644 5.0690 5.0691 6.7661 6.7661 6.7705 6.7705 8.7105 8.7106 8.7181 8.7181 9.7926 9.7926 9.8113 9.8113 10.3175 10.3175 10.3367 10.3367 10.6080 10.6080 10.6487 10.6487 10.8200 10.8201 10.8396 10.8396 11.2714 11.2715 11.3111 11.3111 11.5033 11.5033 11.5565 11.5565 11.7513 11.7513 11.8083 11.8084 12.0501 12.0502 12.0710 12.0711 12.5030 12.5031 12.5310 12.5310 13.3463 13.3463 13.3692 13.3692 15.6362 15.6362 15.6621 15.6621 16.8049 16.8049 16.8255 16.8255 18.2271 18.2272 18.2445 18.2446 k = 0.2700 0.5000 0.2700 ( 3036 PWs) bands (ev): 2.6961 2.6961 2.6969 2.6969 5.1170 5.1170 5.1217 5.1217 6.8083 6.8083 6.8126 6.8126 8.8026 8.8027 8.8110 8.8111 9.7551 9.7552 9.7741 9.7741 10.3186 10.3186 10.3379 10.3380 10.6094 10.6094 10.6504 10.6504 10.8249 10.8249 10.8441 10.8441 11.2508 11.2508 11.2896 11.2896 11.4926 11.4926 11.5487 11.5488 11.7562 11.7562 11.8123 11.8123 12.0606 12.0606 12.0836 12.0836 12.4995 12.4995 12.5278 12.5278 13.3988 13.3988 13.4222 13.4222 15.5274 15.5274 15.5544 15.5544 16.6707 16.6707 16.6914 16.6914 18.1811 18.1811 18.1990 18.1991 k = 0.2600 0.5000 0.2600 ( 3036 PWs) bands (ev): 2.6340 2.6341 2.6348 2.6348 5.1712 5.1712 5.1759 5.1759 6.8524 6.8524 6.8564 6.8565 8.8900 8.8900 8.8994 8.8994 9.7161 9.7161 9.7352 9.7352 10.3200 10.3200 10.3396 10.3396 10.6103 10.6104 10.6512 10.6513 10.8289 10.8289 10.8477 10.8477 11.2312 11.2313 11.2688 11.2689 11.4821 11.4821 11.5412 11.5413 11.7622 11.7622 11.8172 11.8173 12.0713 12.0713 12.0966 12.0967 12.4955 12.4955 12.5242 12.5242 13.4536 13.4537 13.4776 13.4776 15.4228 15.4228 15.4509 15.4509 16.5396 16.5396 16.5604 16.5604 18.1355 18.1355 18.1539 18.1540 k = 0.2500 0.5000 0.2500 ( 3050 PWs) bands (ev): 2.5737 2.5737 2.5744 2.5745 5.2269 5.2269 5.2316 5.2317 6.8981 6.8981 6.9020 6.9020 8.9717 8.9717 8.9821 8.9822 9.6756 9.6757 9.6950 9.6950 10.3218 10.3218 10.3415 10.3415 10.6109 10.6109 10.6513 10.6513 10.8321 10.8321 10.8504 10.8505 11.2127 11.2127 11.2489 11.2489 11.4717 11.4717 11.5337 11.5338 11.7692 11.7692 11.8232 11.8232 12.0823 12.0823 12.1101 12.1101 12.4911 12.4911 12.5202 12.5202 13.5106 13.5106 13.5350 13.5350 15.3227 15.3227 15.3520 15.3520 16.4126 16.4126 16.4334 16.4335 18.0905 18.0905 18.1093 18.1094 k = 0.2400 0.5000 0.2400 ( 3034 PWs) bands (ev): 2.5152 2.5152 2.5159 2.5159 5.2842 5.2842 5.2889 5.2889 6.9453 6.9454 6.9490 6.9491 9.0468 9.0469 9.0584 9.0585 9.6348 9.6348 9.6543 9.6543 10.3239 10.3239 10.3440 10.3440 10.6113 10.6113 10.6507 10.6507 10.8346 10.8347 10.8526 10.8526 11.1956 11.1957 11.2303 11.2303 11.4616 11.4616 11.5264 11.5265 11.7774 11.7774 11.8304 11.8304 12.0938 12.0938 12.1242 12.1242 12.4863 12.4863 12.5158 12.5159 13.5695 13.5696 13.5945 13.5945 15.2272 15.2272 15.2578 15.2578 16.2906 16.2906 16.3115 16.3115 18.0462 18.0462 18.0653 18.0654 k = 0.2300 0.5000 0.2300 ( 3022 PWs) bands (ev): 2.4585 2.4586 2.4592 2.4592 5.3429 5.3429 5.3477 5.3477 6.9939 6.9939 6.9974 6.9974 9.1138 9.1138 9.1265 9.1266 9.5945 9.5945 9.6142 9.6142 10.3263 10.3264 10.3468 10.3468 10.6114 10.6114 10.6494 10.6494 10.8365 10.8365 10.8539 10.8539 11.1799 11.1800 11.2129 11.2129 11.4516 11.4516 11.5190 11.5191 11.7866 11.7866 11.8385 11.8385 12.1056 12.1056 12.1386 12.1387 12.4810 12.4810 12.5110 12.5111 13.6299 13.6299 13.6552 13.6553 15.1365 15.1365 15.1685 15.1685 16.1749 16.1749 16.1958 16.1958 18.0027 18.0027 18.0221 18.0221 k = 0.2200 0.5000 0.2200 ( 3014 PWs) bands (ev): 2.4039 2.4039 2.4045 2.4045 5.4030 5.4030 5.4078 5.4078 7.0436 7.0436 7.0469 7.0469 9.1700 9.1700 9.1837 9.1838 9.5574 9.5574 9.5771 9.5771 10.3289 10.3289 10.3498 10.3498 10.6112 10.6112 10.6474 10.6474 10.8374 10.8375 10.8544 10.8544 11.1657 11.1657 11.1967 11.1967 11.4416 11.4416 11.5115 11.5115 11.7967 11.7967 11.8476 11.8476 12.1177 12.1177 12.1535 12.1535 12.4751 12.4752 12.5057 12.5057 13.6909 13.6909 13.7167 13.7167 15.0508 15.0509 15.0842 15.0843 16.0667 16.0667 16.0876 16.0876 17.9600 17.9600 17.9795 17.9796 k = 0.2100 0.5000 0.2100 ( 3014 PWs) bands (ev): 2.3512 2.3513 2.3518 2.3519 5.4644 5.4644 5.4693 5.4693 7.0941 7.0942 7.0973 7.0973 9.2110 9.2110 9.2250 9.2250 9.5285 9.5285 9.5474 9.5474 10.3315 10.3315 10.3531 10.3531 10.6106 10.6107 10.6448 10.6448 10.8376 10.8376 10.8539 10.8539 11.1529 11.1530 11.1819 11.1819 11.4316 11.4317 11.5037 11.5037 11.8075 11.8075 11.8575 11.8575 12.1301 12.1301 12.1686 12.1687 12.4687 12.4688 12.4998 12.4998 13.7514 13.7514 13.7775 13.7776 14.9703 14.9703 15.0053 15.0053 15.9676 15.9676 15.9885 15.9885 17.9183 17.9183 17.9379 17.9379 k = 0.2000 0.5000 0.2000 ( 3014 PWs) bands (ev): 2.3007 2.3007 2.3013 2.3013 5.5271 5.5271 5.5319 5.5320 7.1454 7.1454 7.1484 7.1484 9.2304 9.2305 9.2432 9.2432 9.5149 9.5149 9.5318 9.5318 10.3342 10.3342 10.3565 10.3565 10.6098 10.6098 10.6418 10.6418 10.8368 10.8369 10.8524 10.8524 11.1416 11.1417 11.1684 11.1685 11.4217 11.4217 11.4957 11.4957 11.8191 11.8191 11.8680 11.8681 12.1428 12.1428 12.1841 12.1841 12.4618 12.4619 12.4935 12.4935 13.8100 13.8100 13.8364 13.8365 14.8950 14.8950 14.9318 14.9318 15.8795 15.8795 15.9004 15.9004 17.8777 17.8777 17.8972 17.8972 k = 0.1900 0.5000 0.1900 ( 3010 PWs) bands (ev): 2.2523 2.2524 2.2529 2.2529 5.5909 5.5909 5.5958 5.5958 7.1971 7.1971 7.1999 7.1999 9.2238 9.2238 9.2344 9.2344 9.5208 9.5209 9.5351 9.5351 10.3369 10.3369 10.3600 10.3600 10.6085 10.6085 10.6383 10.6384 10.8353 10.8353 10.8499 10.8499 11.1318 11.1318 11.1564 11.1564 11.4118 11.4118 11.4875 11.4876 11.8311 11.8312 11.8792 11.8792 12.1558 12.1559 12.1999 12.1999 12.4545 12.4545 12.4867 12.4867 13.8649 13.8649 13.8914 13.8914 14.8251 14.8251 14.8640 14.8640 15.8047 15.8048 15.8255 15.8256 17.8382 17.8382 17.8576 17.8577 k = 0.1800 0.5000 0.1800 ( 3010 PWs) bands (ev): 2.2062 2.2062 2.2067 2.2068 5.6557 5.6557 5.6606 5.6606 7.2488 7.2489 7.2516 7.2516 9.1944 9.1944 9.2038 9.2038 9.5413 9.5414 9.5543 9.5543 10.3395 10.3395 10.3636 10.3636 10.6067 10.6068 10.6346 10.6346 10.8328 10.8328 10.8462 10.8463 11.1233 11.1233 11.1458 11.1458 11.4020 11.4020 11.4792 11.4793 11.8435 11.8435 11.8908 11.8908 12.1691 12.1692 12.2158 12.2158 12.4467 12.4467 12.4794 12.4795 13.9138 13.9138 13.9401 13.9401 14.7606 14.7606 14.8017 14.8017 15.7459 15.7459 15.7665 15.7665 17.8000 17.8000 17.8193 17.8193 k = 0.1700 0.5000 0.1700 ( 3018 PWs) bands (ev): 2.1623 2.1624 2.1628 2.1629 5.7213 5.7213 5.7263 5.7263 7.3004 7.3004 7.3031 7.3032 9.1503 9.1503 9.1597 9.1598 9.5686 9.5686 9.5817 9.5817 10.3419 10.3419 10.3670 10.3670 10.6044 10.6044 10.6304 10.6305 10.8295 10.8295 10.8414 10.8415 11.1160 11.1160 11.1364 11.1364 11.3923 11.3923 11.4708 11.4708 11.8560 11.8560 11.9026 11.9026 12.1827 12.1827 12.2318 12.2318 12.4386 12.4386 12.4718 12.4718 13.9543 13.9543 13.9802 13.9802 14.7013 14.7013 14.7446 14.7446 15.7058 15.7058 15.7261 15.7261 17.7632 17.7632 17.7822 17.7822 k = 0.1600 0.5000 0.1600 ( 3018 PWs) bands (ev): 2.1207 2.1208 2.1212 2.1213 5.7877 5.7877 5.7927 5.7927 7.3513 7.3514 7.3542 7.3542 9.0981 9.0981 9.1080 9.1080 9.5977 9.5977 9.6116 9.6116 10.3442 10.3442 10.3703 10.3703 10.6014 10.6014 10.6260 10.6261 10.8254 10.8255 10.8357 10.8357 11.1097 11.1097 11.1281 11.1282 11.3828 11.3828 11.4625 11.4625 11.8685 11.8685 11.9145 11.9145 12.1965 12.1966 12.2479 12.2480 12.4303 12.4303 12.4639 12.4639 13.9844 13.9844 14.0095 14.0095 14.6468 14.6468 14.6923 14.6923 15.6874 15.6874 15.7071 15.7071 17.7278 17.7278 17.7466 17.7466 k = 0.1500 0.5000 0.1500 ( 3000 PWs) bands (ev): 2.0815 2.0816 2.0820 2.0820 5.8546 5.8546 5.8596 5.8596 7.4013 7.4013 7.4044 7.4044 9.0415 9.0415 9.0518 9.0518 9.6262 9.6262 9.6409 9.6410 10.3463 10.3463 10.3733 10.3733 10.5979 10.5979 10.6213 10.6214 10.8208 10.8208 10.8290 10.8291 11.1042 11.1043 11.1210 11.1210 11.3737 11.3737 11.4544 11.4544 11.8810 11.8810 11.9265 11.9265 12.2107 12.2107 12.2641 12.2642 12.4220 12.4220 12.4559 12.4559 14.0028 14.0028 14.0269 14.0269 14.5965 14.5965 14.6439 14.6439 15.6926 15.6926 15.7115 15.7115 17.6940 17.6941 17.7125 17.7125 k = 0.1400 0.5000 0.1400 ( 3004 PWs) bands (ev): 2.0447 2.0447 2.0451 2.0451 5.9217 5.9217 5.9268 5.9268 7.4498 7.4498 7.4532 7.4533 8.9825 8.9825 8.9931 8.9931 9.6528 9.6528 9.6682 9.6683 10.3480 10.3480 10.3758 10.3758 10.5936 10.5936 10.6162 10.6163 10.8154 10.8154 10.8216 10.8216 11.0993 11.0993 11.1147 11.1147 11.3649 11.3649 11.4464 11.4464 11.8930 11.8930 11.9382 11.9382 12.2249 12.2249 12.2799 12.2799 12.4136 12.4136 12.4478 12.4478 14.0094 14.0094 14.0321 14.0322 14.5494 14.5495 14.5983 14.5983 15.7224 15.7224 15.7400 15.7401 17.6620 17.6620 17.6801 17.6802 k = 0.1300 0.5000 0.1300 ( 3000 PWs) bands (ev): 2.0103 2.0103 2.0106 2.0107 5.9889 5.9889 5.9940 5.9940 7.4962 7.4963 7.5002 7.5003 8.9226 8.9226 8.9335 8.9335 9.6771 9.6772 9.6931 9.6932 10.3493 10.3494 10.3778 10.3778 10.5887 10.5888 10.6108 10.6108 10.8092 10.8093 10.8138 10.8138 11.0948 11.0948 11.1091 11.1091 11.3565 11.3566 11.4388 11.4388 11.9047 11.9047 11.9496 11.9497 12.2391 12.2391 12.2952 12.2952 12.4056 12.4056 12.4398 12.4398 14.0054 14.0054 14.0267 14.0267 14.5050 14.5051 14.5548 14.5548 15.7760 15.7760 15.7923 15.7923 17.6317 17.6317 17.6495 17.6496 k = 0.1200 0.5000 0.1200 ( 3008 PWs) bands (ev): 1.9783 1.9783 1.9786 1.9787 6.0557 6.0557 6.0609 6.0609 7.5402 7.5402 7.5448 7.5448 8.8629 8.8629 8.8741 8.8741 9.6991 9.6991 9.7155 9.7155 10.3502 10.3502 10.3789 10.3789 10.5835 10.5835 10.6050 10.6050 10.8017 10.8017 10.8064 10.8064 11.0904 11.0905 11.1041 11.1041 11.3486 11.3487 11.4315 11.4315 11.9157 11.9157 11.9606 11.9606 12.2531 12.2531 12.3094 12.3094 12.3982 12.3982 12.4323 12.4323 13.9926 13.9926 14.0125 14.0126 14.4628 14.4628 14.5130 14.5130 15.8514 15.8514 15.8664 15.8664 17.6032 17.6032 17.6208 17.6208 k = 0.1100 0.5000 0.1100 ( 3004 PWs) bands (ev): 1.9488 1.9488 1.9491 1.9491 6.1219 6.1219 6.1272 6.1272 7.5809 7.5809 7.5862 7.5863 8.8045 8.8045 8.8159 8.8159 9.7187 9.7187 9.7353 9.7353 10.3505 10.3505 10.3792 10.3792 10.5781 10.5781 10.5991 10.5991 10.7929 10.7929 10.7996 10.7996 11.0863 11.0864 11.0996 11.0997 11.3414 11.3414 11.4248 11.4248 11.9262 11.9262 11.9711 11.9712 12.2668 12.2669 12.3219 12.3219 12.3920 12.3920 12.4257 12.4258 13.9733 13.9733 13.9920 13.9920 14.4227 14.4227 14.4731 14.4731 15.9458 15.9459 15.9596 15.9596 17.5767 17.5767 17.5940 17.5941 k = 0.1000 0.5000 0.1000 ( 3004 PWs) bands (ev): 1.9217 1.9218 1.9221 1.9221 6.1869 6.1869 6.1923 6.1923 7.6178 7.6178 7.6239 7.6239 8.7483 8.7483 8.7599 8.7599 9.7361 9.7361 9.7527 9.7528 10.3501 10.3502 10.3783 10.3783 10.5728 10.5728 10.5932 10.5932 10.7834 10.7834 10.7930 10.7930 11.0824 11.0824 11.0956 11.0957 11.3348 11.3348 11.4186 11.4186 11.9360 11.9360 11.9811 11.9811 12.2799 12.2800 12.3315 12.3316 12.3874 12.3874 12.4209 12.4209 13.9497 13.9498 13.9673 13.9673 14.3850 14.3851 14.4353 14.4354 16.0563 16.0563 16.0691 16.0691 17.5521 17.5521 17.5693 17.5693 k = 0.0900 0.5000 0.0900 ( 3006 PWs) bands (ev): 1.8972 1.8973 1.8975 1.8976 6.2502 6.2502 6.2558 6.2558 7.6502 7.6502 7.6571 7.6571 8.6954 8.6954 8.7073 8.7073 9.7514 9.7515 9.7680 9.7680 10.3491 10.3491 10.3762 10.3763 10.5677 10.5677 10.5875 10.5876 10.7736 10.7737 10.7864 10.7865 11.0787 11.0787 11.0920 11.0920 11.3288 11.3288 11.4129 11.4129 11.9450 11.9450 11.9903 11.9903 12.2920 12.2921 12.3372 12.3372 12.3846 12.3847 12.4189 12.4190 13.9238 13.9238 13.9402 13.9402 14.3502 14.3502 14.4003 14.4003 16.1796 16.1797 16.1918 16.1918 17.5296 17.5296 17.5466 17.5467 k = 0.0800 0.5000 0.0800 ( 3006 PWs) bands (ev): 1.8753 1.8753 1.8755 1.8756 6.3112 6.3112 6.3170 6.3170 7.6775 7.6775 7.6852 7.6852 8.6468 8.6468 8.6588 8.6588 9.7649 9.7649 9.7812 9.7813 10.3473 10.3473 10.3729 10.3729 10.5632 10.5632 10.5825 10.5825 10.7639 10.7639 10.7799 10.7799 11.0753 11.0753 11.0887 11.0888 11.3234 11.3234 11.4078 11.4078 11.9532 11.9532 11.9989 11.9989 12.3025 12.3025 12.3391 12.3391 12.3829 12.3830 12.4210 12.4211 13.8971 13.8971 13.9124 13.9124 14.3185 14.3185 14.3683 14.3683 16.3131 16.3132 16.3249 16.3249 17.5091 17.5091 17.5261 17.5261 k = 0.0700 0.5000 0.0700 ( 2998 PWs) bands (ev): 1.8558 1.8559 1.8561 1.8561 6.3691 6.3691 6.3751 6.3751 7.6991 7.6991 7.7076 7.7076 8.6035 8.6035 8.6156 8.6156 9.7767 9.7767 9.7927 9.7927 10.3450 10.3450 10.3685 10.3685 10.5594 10.5594 10.5783 10.5783 10.7545 10.7545 10.7736 10.7736 11.0723 11.0723 11.0858 11.0858 11.3188 11.3188 11.4034 11.4035 11.9607 11.9607 12.0067 12.0068 12.3105 12.3105 12.3389 12.3389 12.3815 12.3815 12.4269 12.4269 13.8709 13.8709 13.8850 13.8850 14.2902 14.2903 14.3397 14.3398 16.4540 16.4540 16.4658 16.4658 17.4906 17.4907 17.5077 17.5077 k = 0.0600 0.5000 0.0600 ( 2998 PWs) bands (ev): 1.8390 1.8390 1.8392 1.8393 6.4229 6.4229 6.4291 6.4291 7.7150 7.7150 7.7242 7.7242 8.5663 8.5663 8.5783 8.5783 9.7867 9.7867 9.8024 9.8024 10.3421 10.3421 10.3630 10.3630 10.5562 10.5562 10.5751 10.5751 10.7455 10.7455 10.7675 10.7675 11.0698 11.0698 11.0832 11.0832 11.3147 11.3147 11.3996 11.3996 11.9672 11.9672 12.0137 12.0137 12.3149 12.3149 12.3385 12.3385 12.3808 12.3808 12.4349 12.4349 13.8463 13.8463 13.8592 13.8592 14.2657 14.2657 14.3148 14.3148 16.5995 16.5996 16.6117 16.6117 17.4741 17.4742 17.4914 17.4914 k = 0.0500 0.5000 0.0500 ( 3002 PWs) bands (ev): 1.8247 1.8247 1.8249 1.8250 6.4716 6.4717 6.4781 6.4781 7.7253 7.7253 7.7350 7.7350 8.5356 8.5356 8.5474 8.5474 9.7952 9.7952 9.8104 9.8104 10.3389 10.3389 10.3569 10.3569 10.5537 10.5537 10.5729 10.5729 10.7371 10.7371 10.7618 10.7618 11.0677 11.0677 11.0809 11.0809 11.3113 11.3113 11.3963 11.3963 11.9728 11.9728 12.0198 12.0198 12.3157 12.3157 12.3387 12.3387 12.3814 12.3814 12.4433 12.4433 13.8241 13.8241 13.8357 13.8358 14.2449 14.2449 14.2937 14.2937 16.7466 16.7467 16.7596 16.7596 17.4593 17.4594 17.4771 17.4771 k = 0.0400 0.5000 0.0400 ( 2998 PWs) bands (ev): 1.8130 1.8130 1.8132 1.8132 6.5141 6.5141 6.5209 6.5209 7.7308 7.7308 7.7409 7.7409 8.5116 8.5116 8.5230 8.5230 9.8021 9.8022 9.8170 9.8170 10.3358 10.3359 10.3507 10.3507 10.5518 10.5518 10.5716 10.5717 10.7298 10.7298 10.7568 10.7568 11.0661 11.0662 11.0789 11.0789 11.3085 11.3085 11.3937 11.3937 11.9775 11.9775 12.0249 12.0249 12.3144 12.3144 12.3387 12.3387 12.3836 12.3836 12.4513 12.4513 13.8050 13.8051 13.8155 13.8155 14.2279 14.2279 14.2764 14.2764 16.8916 16.8917 16.9059 16.9059 17.4459 17.4460 17.4644 17.4645 k = 0.0300 0.5000 0.0300 ( 2994 PWs) bands (ev): 1.8039 1.8039 1.8041 1.8041 6.5490 6.5490 6.5560 6.5560 7.7328 7.7328 7.7430 7.7430 8.4939 8.4939 8.5048 8.5048 9.8076 9.8076 9.8221 9.8221 10.3333 10.3333 10.3449 10.3449 10.5505 10.5505 10.5712 10.5712 10.7237 10.7237 10.7527 10.7527 11.0650 11.0650 11.0773 11.0773 11.3063 11.3063 11.3916 11.3916 11.9812 11.9812 12.0289 12.0289 12.3125 12.3125 12.3381 12.3381 12.3865 12.3865 12.4581 12.4581 13.7897 13.7897 13.7991 13.7991 14.2148 14.2148 14.2630 14.2630 17.0295 17.0296 17.0457 17.0457 17.4331 17.4331 17.4525 17.4526 k = 0.0200 0.5000 0.0200 ( 3000 PWs) bands (ev): 1.7974 1.7974 1.7976 1.7976 6.5751 6.5751 6.5822 6.5823 7.7326 7.7326 7.7430 7.7430 8.4820 8.4820 8.4924 8.4924 9.8115 9.8115 9.8257 9.8257 10.3315 10.3315 10.3398 10.3398 10.5496 10.5496 10.5711 10.5711 10.7191 10.7191 10.7495 10.7495 11.0642 11.0642 11.0761 11.0761 11.3047 11.3047 11.3901 11.3901 11.9837 11.9837 12.0318 12.0318 12.3107 12.3107 12.3373 12.3373 12.3892 12.3892 12.4632 12.4632 13.7785 13.7785 13.7869 13.7870 14.2054 14.2054 14.2534 14.2534 17.1531 17.1531 17.1720 17.1720 17.4190 17.4191 17.4393 17.4394 k = 0.0100 0.5000 0.0100 ( 3018 PWs) bands (ev): 1.7935 1.7935 1.7937 1.7937 6.5912 6.5912 6.5985 6.5985 7.7317 7.7318 7.7421 7.7421 8.4752 8.4752 8.4853 8.4853 9.8138 9.8138 9.8278 9.8278 10.3306 10.3306 10.3361 10.3361 10.5491 10.5491 10.5711 10.5711 10.7162 10.7162 10.7475 10.7475 11.0637 11.0637 11.0753 11.0753 11.3037 11.3037 11.3892 11.3892 11.9852 11.9852 12.0335 12.0335 12.3094 12.3094 12.3365 12.3365 12.3910 12.3910 12.4663 12.4663 13.7716 13.7716 13.7794 13.7794 14.1997 14.1997 14.2476 14.2476 17.2507 17.2507 17.2733 17.2733 17.4018 17.4018 17.4202 17.4202 k = 0.0000 0.5000-0.0000 ( 3026 PWs) bands (ev): 1.7922 1.7922 1.7924 1.7924 6.5966 6.5966 6.6040 6.6040 7.7313 7.7313 7.7417 7.7417 8.4730 8.4730 8.4829 8.4829 9.8146 9.8146 9.8285 9.8285 10.3305 10.3305 10.3347 10.3347 10.5489 10.5489 10.5710 10.5710 10.7151 10.7151 10.7468 10.7468 11.0636 11.0636 11.0750 11.0750 11.3034 11.3034 11.3888 11.3888 11.9857 11.9857 12.0341 12.0341 12.3089 12.3089 12.3362 12.3362 12.3916 12.3916 12.4673 12.4673 13.7693 13.7693 13.7769 13.7769 14.1978 14.1978 14.2457 14.2457 17.2961 17.2961 17.3206 17.3206 17.3931 17.3931 17.3982 17.3982 k = 0.5000 0.5000-0.0000 ( 3016 PWs) bands (ev): 2.9754 2.9754 2.9755 2.9755 4.0415 4.0415 4.0416 4.0416 8.5341 8.5341 8.5341 8.5341 9.0550 9.0550 9.0550 9.0550 9.2603 9.2603 9.2603 9.2603 9.9002 9.9002 9.9002 9.9002 10.7254 10.7254 10.7255 10.7255 11.0518 11.0518 11.0519 11.0519 11.3506 11.3506 11.3506 11.3506 11.4289 11.4289 11.4289 11.4289 11.6338 11.6338 11.6338 11.6338 12.0655 12.0655 12.0656 12.0656 12.8996 12.8996 12.8996 12.8996 13.4087 13.4087 13.4087 13.4087 14.7638 14.7638 14.7638 14.7638 15.2853 15.2853 15.2854 15.2854 18.1091 18.1091 18.1091 18.1091 k = 0.5000 0.5000 0.0143 ( 3032 PWs) bands (ev): 2.9766 2.9766 2.9767 2.9767 4.0425 4.0425 4.0426 4.0427 8.5185 8.5186 8.5197 8.5198 9.0509 9.0509 9.0518 9.0519 9.2721 9.2721 9.2739 9.2739 9.9004 9.9004 9.9008 9.9009 10.7248 10.7249 10.7252 10.7252 11.0476 11.0476 11.0540 11.0540 11.3481 11.3482 11.3537 11.3538 11.4262 11.4262 11.4319 11.4319 11.6314 11.6314 11.6360 11.6360 12.0650 12.0650 12.0655 12.0656 12.8968 12.8968 12.8972 12.8972 13.4067 13.4068 13.4069 13.4069 14.7687 14.7687 14.7696 14.7696 15.2937 15.2938 15.2940 15.2941 18.1109 18.1109 18.1111 18.1111 k = 0.5000 0.5000 0.0286 ( 3032 PWs) bands (ev): 2.9801 2.9801 2.9802 2.9803 4.0455 4.0456 4.0458 4.0458 8.4764 8.4764 8.4785 8.4785 9.0397 9.0397 9.0414 9.0415 9.3067 9.3067 9.3100 9.3100 9.9016 9.9017 9.9024 9.9025 10.7235 10.7235 10.7241 10.7242 11.0417 11.0418 11.0543 11.0543 11.3467 11.3468 11.3577 11.3577 11.4241 11.4241 11.4356 11.4356 11.6292 11.6292 11.6383 11.6383 12.0642 12.0643 12.0653 12.0653 12.8893 12.8893 12.8901 12.8901 13.4013 13.4013 13.4016 13.4016 14.7844 14.7844 14.7860 14.7860 15.3192 15.3193 15.3198 15.3199 18.1164 18.1164 18.1168 18.1168 k = 0.5000 0.5000 0.0429 ( 3032 PWs) bands (ev): 2.9859 2.9860 2.9862 2.9862 4.0505 4.0506 4.0510 4.0511 8.4139 8.4139 8.4166 8.4167 9.0213 9.0214 9.0237 9.0238 9.3577 9.3577 9.3622 9.3622 9.9038 9.9039 9.9050 9.9050 10.7214 10.7214 10.7223 10.7223 11.0343 11.0344 11.0525 11.0526 11.3465 11.3466 11.3623 11.3623 11.4226 11.4226 11.4399 11.4399 11.6271 11.6271 11.6406 11.6406 12.0631 12.0632 12.0647 12.0648 12.8775 12.8775 12.8786 12.8786 13.3925 13.3925 13.3929 13.3930 14.8105 14.8105 14.8129 14.8129 15.3610 15.3611 15.3620 15.3621 18.1256 18.1256 18.1262 18.1262 k = 0.5000 0.5000 0.0571 ( 3036 PWs) bands (ev): 2.9941 2.9941 2.9945 2.9945 4.0576 4.0577 4.0582 4.0583 8.3375 8.3375 8.3406 8.3406 8.9959 8.9959 8.9988 8.9989 9.4188 9.4188 9.4242 9.4242 9.9070 9.9070 9.9084 9.9085 10.7185 10.7185 10.7195 10.7195 11.0255 11.0255 11.0488 11.0489 11.3474 11.3475 11.3673 11.3673 11.4216 11.4217 11.4448 11.4448 11.6253 11.6253 11.6430 11.6430 12.0616 12.0617 12.0637 12.0638 12.8620 12.8620 12.8633 12.8633 13.3806 13.3807 13.3811 13.3812 14.8468 14.8468 14.8499 14.8499 15.4182 15.4183 15.4195 15.4196 18.1385 18.1385 18.1393 18.1393 k = 0.5000 0.5000 0.0714 ( 3028 PWs) bands (ev): 3.0046 3.0047 3.0051 3.0051 4.0666 4.0667 4.0674 4.0675 8.2518 8.2518 8.2552 8.2552 8.9636 8.9636 8.9671 8.9671 9.4854 9.4854 9.4914 9.4914 9.9112 9.9112 9.9128 9.9129 10.7149 10.7149 10.7159 10.7160 11.0155 11.0155 11.0432 11.0432 11.3496 11.3497 11.3728 11.3728 11.4215 11.4216 11.4505 11.4505 11.6239 11.6239 11.6455 11.6456 12.0598 12.0599 12.0625 12.0626 12.8437 12.8437 12.8452 12.8452 13.3661 13.3661 13.3666 13.3667 14.8928 14.8929 14.8966 14.8966 15.4896 15.4897 15.4912 15.4913 18.1551 18.1551 18.1561 18.1561 k = 0.5000 0.5000 0.0857 ( 3044 PWs) bands (ev): 3.0175 3.0175 3.0180 3.0181 4.0776 4.0777 4.0785 4.0786 8.1599 8.1600 8.1634 8.1635 8.9246 8.9246 8.9284 8.9285 9.5539 9.5539 9.5606 9.5606 9.9162 9.9162 9.9180 9.9180 10.7104 10.7105 10.7114 10.7114 11.0043 11.0044 11.0356 11.0357 11.3529 11.3530 11.3786 11.3786 11.4221 11.4222 11.4568 11.4568 11.6228 11.6229 11.6481 11.6481 12.0576 12.0577 12.0608 12.0609 12.8234 12.8234 12.8250 12.8250 13.3490 13.3491 13.3495 13.3495 14.9481 14.9482 14.9525 14.9525 15.5738 15.5739 15.5757 15.5758 18.1753 18.1753 18.1766 18.1766 k = 0.5000 0.5000 0.1000 ( 3036 PWs) bands (ev): 3.0327 3.0327 3.0333 3.0333 4.0904 4.0905 4.0915 4.0915 8.0641 8.0641 8.0677 8.0678 8.8792 8.8792 8.8833 8.8834 9.6226 9.6226 9.6299 9.6299 9.9222 9.9223 9.9240 9.9241 10.7054 10.7054 10.7060 10.7061 10.9923 10.9923 11.0264 11.0265 11.3574 11.3575 11.3850 11.3850 11.4239 11.4239 11.4640 11.4640 11.6226 11.6226 11.6511 11.6511 12.0552 12.0553 12.0589 12.0590 12.8019 12.8020 12.8035 12.8035 13.3301 13.3301 13.3305 13.3305 15.0124 15.0124 15.0172 15.0172 15.6694 15.6694 15.6716 15.6717 18.1991 18.1991 18.2006 18.2006 k = 0.5000 0.5000 0.1143 ( 3044 PWs) bands (ev): 3.0501 3.0502 3.0509 3.0509 4.1050 4.1050 4.1062 4.1063 7.9657 7.9658 7.9694 7.9694 8.8276 8.8277 8.8320 8.8321 9.6899 9.6899 9.6978 9.6978 9.9291 9.9292 9.9309 9.9309 10.6995 10.6995 10.6998 10.6998 10.9792 10.9793 11.0156 11.0156 11.3629 11.3630 11.3918 11.3919 11.4266 11.4267 11.4718 11.4718 11.6230 11.6230 11.6544 11.6544 12.0524 12.0525 12.0566 12.0567 12.7800 12.7800 12.7814 12.7815 13.3094 13.3095 13.3096 13.3097 15.0850 15.0850 15.0903 15.0903 15.7748 15.7749 15.7774 15.7775 18.2265 18.2265 18.2282 18.2282 k = 0.5000 0.5000 0.1286 ( 3044 PWs) bands (ev): 3.0699 3.0699 3.0707 3.0707 4.1212 4.1213 4.1226 4.1227 7.8659 7.8659 7.8696 7.8696 8.7703 8.7704 8.7749 8.7749 9.7547 9.7547 9.7633 9.7633 9.9372 9.9372 9.9386 9.9387 10.6928 10.6928 10.6930 10.6930 10.9656 10.9657 11.0035 11.0035 11.3695 11.3695 11.3994 11.3994 11.4306 11.4306 11.4804 11.4805 11.6242 11.6243 11.6581 11.6582 12.0493 12.0493 12.0540 12.0541 12.7581 12.7581 12.7594 12.7594 13.2874 13.2874 13.2874 13.2875 15.1655 15.1655 15.1712 15.1712 15.8889 15.8890 15.8918 15.8919 18.2573 18.2573 18.2593 18.2593 k = 0.5000 0.5000 0.1429 ( 3044 PWs) bands (ev): 3.0919 3.0919 3.0928 3.0928 4.1390 4.1391 4.1406 4.1406 7.7654 7.7654 7.7692 7.7692 8.7076 8.7076 8.7122 8.7123 9.8162 9.8162 9.8257 9.8257 9.9464 9.9464 9.9473 9.9474 10.6852 10.6852 10.6859 10.6859 10.9513 10.9514 10.9902 10.9902 11.3770 11.3770 11.4076 11.4076 11.4359 11.4359 11.4898 11.4898 11.6264 11.6264 11.6623 11.6624 12.0458 12.0458 12.0510 12.0510 12.7368 12.7368 12.7377 12.7378 13.2640 13.2640 13.2644 13.2644 15.2536 15.2536 15.2597 15.2597 16.0102 16.0103 16.0135 16.0136 18.2916 18.2916 18.2938 18.2938 k = 0.5000 0.5000 0.1571 ( 3044 PWs) bands (ev): 3.1161 3.1162 3.1171 3.1172 4.1582 4.1583 4.1600 4.1600 7.6649 7.6649 7.6688 7.6688 8.6398 8.6399 8.6445 8.6446 9.8733 9.8733 9.8840 9.8840 9.9574 9.9574 9.9575 9.9575 10.6770 10.6770 10.6784 10.6784 10.9366 10.9366 10.9759 10.9759 11.3854 11.3854 11.4167 11.4167 11.4425 11.4425 11.4998 11.4998 11.6295 11.6295 11.6670 11.6670 12.0419 12.0420 12.0476 12.0477 12.7163 12.7163 12.7169 12.7169 13.2396 13.2397 13.2404 13.2404 15.3489 15.3489 15.3552 15.3553 16.1375 16.1376 16.1413 16.1414 18.3292 18.3292 18.3317 18.3317 k = 0.5000 0.5000 0.1714 ( 3036 PWs) bands (ev): 3.1426 3.1426 3.1437 3.1437 4.1786 4.1787 4.1806 4.1807 7.5651 7.5651 7.5690 7.5691 8.5675 8.5675 8.5722 8.5723 9.9230 9.9230 9.9356 9.9356 9.9712 9.9712 9.9730 9.9730 10.6685 10.6685 10.6706 10.6706 10.9214 10.9214 10.9607 10.9608 11.3947 11.3947 11.4266 11.4267 11.4504 11.4505 11.5105 11.5105 11.6336 11.6337 11.6723 11.6724 12.0376 12.0377 12.0437 12.0438 12.6970 12.6971 12.6971 12.6971 13.2146 13.2146 13.2158 13.2158 15.4508 15.4509 15.4575 15.4575 16.2698 16.2698 16.2740 16.2741 18.3701 18.3701 18.3729 18.3729 k = 0.5000 0.5000 0.1857 ( 3052 PWs) bands (ev): 3.1712 3.1712 3.1724 3.1724 4.2001 4.2002 4.2023 4.2023 7.4664 7.4665 7.4705 7.4705 8.4910 8.4910 8.4957 8.4957 9.9569 9.9569 9.9670 9.9670 10.0010 10.0010 10.0017 10.0017 10.6596 10.6596 10.6623 10.6623 10.9057 10.9057 10.9447 10.9447 11.4048 11.4048 11.4373 11.4373 11.4595 11.4595 11.5217 11.5217 11.6385 11.6385 11.6780 11.6780 12.0330 12.0331 12.0395 12.0396 12.6784 12.6784 12.6789 12.6789 13.1887 13.1888 13.1904 13.1905 15.5591 15.5592 15.5661 15.5661 16.4057 16.4058 16.4106 16.4106 18.4140 18.4140 18.4171 18.4171 k = 0.5000 0.5000 0.2000 ( 3052 PWs) bands (ev): 3.2019 3.2020 3.2032 3.2033 4.2225 4.2225 4.2248 4.2249 7.3694 7.3695 7.3736 7.3736 8.4109 8.4109 8.4155 8.4156 9.9755 9.9755 9.9818 9.9819 10.0410 10.0410 10.0454 10.0454 10.6507 10.6507 10.6541 10.6541 10.8898 10.8898 10.9282 10.9282 11.4158 11.4158 11.4490 11.4490 11.4697 11.4697 11.5335 11.5335 11.6444 11.6444 11.6842 11.6842 12.0281 12.0281 12.0350 12.0350 12.6610 12.6611 12.6622 12.6622 13.1625 13.1625 13.1647 13.1647 15.6734 15.6734 15.6806 15.6806 16.5445 16.5446 16.5499 16.5500 18.4610 18.4610 18.4644 18.4644 k = 0.5000 0.5000 0.2143 ( 3052 PWs) bands (ev): 3.2348 3.2348 3.2362 3.2362 4.2453 4.2454 4.2479 4.2479 7.2747 7.2747 7.2789 7.2790 8.3276 8.3276 8.3322 8.3322 9.9897 9.9897 9.9944 9.9945 10.0819 10.0819 10.0877 10.0878 10.6418 10.6419 10.6459 10.6459 10.8737 10.8737 10.9112 10.9112 11.4276 11.4276 11.4614 11.4614 11.4810 11.4811 11.5459 11.5459 11.6511 11.6511 11.6908 11.6909 12.0228 12.0228 12.0300 12.0301 12.6450 12.6450 12.6470 12.6470 13.1358 13.1358 13.1386 13.1387 15.7933 15.7933 15.8007 15.8007 16.6850 16.6850 16.6910 16.6911 18.5106 18.5106 18.5144 18.5144 k = 0.5000 0.5000 0.2286 ( 3052 PWs) bands (ev): 3.2696 3.2697 3.2712 3.2712 4.2685 4.2685 4.2712 4.2713 7.1826 7.1826 7.1870 7.1870 8.2416 8.2416 8.2461 8.2462 10.0032 10.0032 10.0069 10.0070 10.1201 10.1201 10.1265 10.1265 10.6332 10.6332 10.6378 10.6378 10.8574 10.8575 10.8938 10.8938 11.4403 11.4403 11.4746 11.4746 11.4933 11.4933 11.5588 11.5588 11.6586 11.6587 11.6979 11.6980 12.0171 12.0171 12.0246 12.0247 12.6304 12.6304 12.6332 12.6333 13.1088 13.1089 13.1123 13.1123 15.9182 15.9183 15.9259 15.9260 16.8262 16.8263 16.8330 16.8331 18.5628 18.5628 18.5670 18.5670 k = 0.5000 0.5000 0.2429 ( 3036 PWs) bands (ev): 3.3065 3.3066 3.3081 3.3082 4.2916 4.2916 4.2945 4.2946 7.0937 7.0938 7.0983 7.0983 8.1533 8.1534 8.1578 8.1579 10.0167 10.0168 10.0198 10.0199 10.1547 10.1548 10.1614 10.1615 10.6248 10.6248 10.6300 10.6300 10.8412 10.8412 10.8761 10.8762 11.4537 11.4538 11.4885 11.4886 11.5064 11.5064 11.5723 11.5723 11.6671 11.6671 11.7056 11.7056 12.0111 12.0111 12.0189 12.0190 12.6172 12.6172 12.6210 12.6210 13.0817 13.0818 13.0859 13.0859 16.0480 16.0480 16.0559 16.0559 16.9673 16.9674 16.9749 16.9749 18.6172 18.6172 18.6219 18.6219 k = 0.5000 0.5000 0.2571 ( 3032 PWs) bands (ev): 3.3453 3.3453 3.3470 3.3471 4.3141 4.3142 4.3174 4.3174 7.0087 7.0087 7.0134 7.0134 8.0633 8.0634 8.0678 8.0678 10.0305 10.0306 10.0330 10.0331 10.1857 10.1857 10.1924 10.1924 10.6168 10.6169 10.6225 10.6225 10.8247 10.8248 10.8582 10.8582 11.4678 11.4678 11.5029 11.5029 11.5202 11.5202 11.5862 11.5862 11.6761 11.6761 11.7134 11.7135 12.0047 12.0047 12.0128 12.0128 12.6053 12.6053 12.6102 12.6102 13.0544 13.0544 13.0592 13.0593 16.1819 16.1820 16.1902 16.1902 17.1073 17.1074 17.1157 17.1158 18.6733 18.6733 18.6786 18.6786 k = 0.5000 0.5000 0.2714 ( 3032 PWs) bands (ev): 3.3859 3.3860 3.3878 3.3878 4.3358 4.3358 4.3392 4.3393 6.9279 6.9280 6.9328 6.9329 7.9720 7.9720 7.9764 7.9764 10.0446 10.0447 10.0466 10.0467 10.2130 10.2130 10.2195 10.2195 10.6094 10.6094 10.6154 10.6155 10.8084 10.8084 10.8402 10.8402 11.4824 11.4824 11.5176 11.5176 11.5343 11.5343 11.6003 11.6004 11.6856 11.6857 11.7215 11.7216 11.9978 11.9979 12.0061 12.0061 12.5948 12.5948 12.6008 12.6008 13.0270 13.0270 13.0326 13.0326 16.3197 16.3197 16.3282 16.3283 17.2454 17.2455 17.2548 17.2549 18.7306 18.7306 18.7365 18.7365 k = 0.5000 0.5000 0.2857 ( 3036 PWs) bands (ev): 3.4283 3.4284 3.4303 3.4304 4.3560 4.3561 4.3597 4.3598 6.8522 6.8522 6.8573 6.8573 7.8798 7.8798 7.8841 7.8842 10.0591 10.0591 10.0606 10.0606 10.2367 10.2368 10.2428 10.2429 10.6025 10.6026 10.6089 10.6089 10.7921 10.7921 10.8221 10.8221 11.4973 11.4973 11.5324 11.5324 11.5488 11.5488 11.6147 11.6147 11.6957 11.6957 11.7298 11.7299 11.9905 11.9905 11.9989 11.9990 12.5857 12.5857 12.5928 12.5929 12.9995 12.9996 13.0059 13.0060 16.4608 16.4608 16.4696 16.4697 17.3807 17.3808 17.3911 17.3912 18.7883 18.7884 18.7950 18.7950 k = 0.5000 0.5000 0.3000 ( 3036 PWs) bands (ev): 3.4724 3.4725 3.4746 3.4746 4.3742 4.3743 4.3782 4.3782 6.7821 6.7821 6.7874 6.7874 7.7871 7.7871 7.7914 7.7915 10.0739 10.0739 10.0749 10.0749 10.2571 10.2571 10.2627 10.2627 10.5964 10.5964 10.6030 10.6030 10.7759 10.7759 10.8040 10.8041 11.5126 11.5126 11.5473 11.5473 11.5635 11.5635 11.6294 11.6294 11.7061 11.7061 11.7383 11.7383 11.9828 11.9829 11.9914 11.9914 12.5780 12.5780 12.5864 12.5864 12.9722 12.9722 12.9794 12.9794 16.6047 16.6047 16.6139 16.6139 17.5124 17.5125 17.5240 17.5241 18.8454 18.8454 18.8530 18.8530 k = 0.5000 0.5000 0.3143 ( 3044 PWs) bands (ev): 3.5181 3.5182 3.5204 3.5204 4.3899 4.3899 4.3940 4.3941 6.7183 6.7184 6.7238 6.7238 7.6943 7.6944 7.6987 7.6987 10.0889 10.0890 10.0894 10.0895 10.2741 10.2742 10.2791 10.2791 10.5909 10.5909 10.5977 10.5977 10.7599 10.7599 10.7861 10.7861 11.5280 11.5280 11.5621 11.5621 11.5781 11.5781 11.6442 11.6442 11.7167 11.7167 11.7467 11.7468 11.9747 11.9747 11.9833 11.9834 12.5717 12.5717 12.5814 12.5814 12.9449 12.9449 12.9529 12.9529 16.7508 16.7508 16.7604 16.7604 17.6399 17.6400 17.6527 17.6528 18.9005 18.9006 18.9091 18.9092 k = 0.5000 0.5000 0.3286 ( 3040 PWs) bands (ev): 3.5653 3.5653 3.5677 3.5677 4.4023 4.4024 4.4067 4.4068 6.6616 6.6616 6.6672 6.6672 7.6020 7.6020 7.6064 7.6064 10.1043 10.1043 10.1043 10.1043 10.2883 10.2883 10.2925 10.2925 10.5862 10.5862 10.5931 10.5932 10.7442 10.7442 10.7684 10.7684 11.5435 11.5435 11.5767 11.5767 11.5927 11.5927 11.6592 11.6592 11.7274 11.7274 11.7553 11.7553 11.9662 11.9663 11.9750 11.9750 12.5669 12.5669 12.5779 12.5779 12.9179 12.9179 12.9267 12.9267 16.8986 16.8986 16.9086 16.9086 17.7624 17.7625 17.7766 17.7767 18.9520 18.9520 18.9618 18.9618 k = 0.5000 0.5000 0.3429 ( 3040 PWs) bands (ev): 3.6138 3.6138 3.6163 3.6163 4.4110 4.4110 4.4156 4.4156 6.6126 6.6126 6.6184 6.6184 7.5104 7.5105 7.5148 7.5148 10.1193 10.1193 10.1198 10.1199 10.2995 10.2995 10.3029 10.3029 10.5824 10.5824 10.5893 10.5894 10.7288 10.7289 10.7510 10.7510 11.5589 11.5590 11.5909 11.5909 11.6069 11.6069 11.6741 11.6741 11.7380 11.7380 11.7637 11.7638 11.9574 11.9574 11.9662 11.9662 12.5636 12.5636 12.5759 12.5759 12.8911 12.8912 12.9008 12.9009 17.0474 17.0474 17.0579 17.0579 17.8795 17.8796 17.8951 17.8952 18.9979 18.9979 19.0090 19.0090 k = 0.5000 0.5000 0.3571 ( 3040 PWs) bands (ev): 3.6635 3.6635 3.6661 3.6662 4.4152 4.4153 4.4200 4.4200 6.5719 6.5719 6.5778 6.5779 7.4200 7.4201 7.4244 7.4245 10.1344 10.1344 10.1355 10.1355 10.3080 10.3080 10.3105 10.3105 10.5793 10.5793 10.5863 10.5863 10.7139 10.7139 10.7340 10.7341 11.5742 11.5742 11.6045 11.6045 11.6205 11.6205 11.6890 11.6891 11.7483 11.7483 11.7721 11.7721 11.9482 11.9482 11.9570 11.9570 12.5619 12.5619 12.5755 12.5755 12.8648 12.8648 12.8753 12.8754 17.1966 17.1966 17.2076 17.2077 17.9906 17.9907 18.0078 18.0079 19.0361 19.0362 19.0486 19.0486 k = 0.5000 0.5000 0.3714 ( 3048 PWs) bands (ev): 3.7142 3.7142 3.7170 3.7170 4.4145 4.4146 4.4195 4.4195 6.5401 6.5402 6.5462 6.5462 7.3312 7.3312 7.3356 7.3357 10.1496 10.1496 10.1512 10.1512 10.3140 10.3141 10.3155 10.3156 10.5771 10.5771 10.5841 10.5841 10.6993 10.6994 10.7175 10.7175 11.5890 11.5890 11.6174 11.6174 11.6333 11.6334 11.7038 11.7038 11.7581 11.7582 11.7802 11.7803 11.9385 11.9386 11.9474 11.9474 12.5617 12.5617 12.5766 12.5766 12.8388 12.8389 12.8502 12.8502 17.3455 17.3455 17.3572 17.3572 18.0953 18.0954 18.1141 18.1142 19.0650 19.0650 19.0786 19.0787 k = 0.5000 0.5000 0.3857 ( 3056 PWs) bands (ev): 3.7657 3.7658 3.7687 3.7687 4.4085 4.4086 4.4136 4.4136 6.5178 6.5178 6.5239 6.5239 7.2443 7.2443 7.2488 7.2489 10.1647 10.1647 10.1668 10.1669 10.3177 10.3177 10.3182 10.3183 10.5758 10.5758 10.5827 10.5828 10.6854 10.6854 10.7016 10.7017 11.6033 11.6034 11.6295 11.6295 11.6452 11.6452 11.7184 11.7184 11.7674 11.7674 11.7883 11.7883 11.9286 11.9286 11.9376 11.9376 12.5632 12.5632 12.5793 12.5793 12.8134 12.8135 12.8255 12.8256 17.4933 17.4934 17.5058 17.5058 18.1931 18.1932 18.2138 18.2139 19.0834 19.0834 19.0979 19.0980 k = 0.5000 0.5000 0.4000 ( 3064 PWs) bands (ev): 3.8179 3.8179 3.8210 3.8210 4.3970 4.3970 4.4021 4.4021 6.5050 6.5050 6.5112 6.5112 7.1598 7.1598 7.1644 7.1644 10.1797 10.1797 10.1824 10.1824 10.3187 10.3187 10.3191 10.3191 10.5754 10.5754 10.5823 10.5823 10.6720 10.6720 10.6864 10.6865 11.6170 11.6171 11.6407 11.6407 11.6559 11.6559 11.7326 11.7326 11.7759 11.7759 11.7962 11.7963 11.9184 11.9184 11.9274 11.9275 12.5663 12.5664 12.5836 12.5837 12.7888 12.7888 12.8016 12.8016 17.6394 17.6395 17.6527 17.6528 18.2837 18.2838 18.3064 18.3065 19.0912 19.0912 19.1062 19.1062 k = 0.5000 0.5000 0.4143 ( 3056 PWs) bands (ev): 3.8703 3.8704 3.8736 3.8737 4.3798 4.3798 4.3849 4.3849 6.5020 6.5021 6.5082 6.5083 7.0780 7.0781 7.0827 7.0828 10.1947 10.1947 10.1978 10.1979 10.3173 10.3173 10.3185 10.3186 10.5760 10.5761 10.5829 10.5829 10.6594 10.6595 10.6721 10.6722 11.6300 11.6300 11.6509 11.6509 11.6653 11.6653 11.7466 11.7466 11.7837 11.7837 11.8042 11.8043 11.9080 11.9080 11.9172 11.9173 12.5713 12.5713 12.5897 12.5897 12.7650 12.7650 12.7784 12.7784 17.7829 17.7829 17.7973 17.7973 18.3664 18.3665 18.3912 18.3913 19.0891 19.0891 19.1039 19.1040 k = 0.5000 0.5000 0.4286 ( 3056 PWs) bands (ev): 3.9229 3.9229 3.9263 3.9264 4.3570 4.3570 4.3621 4.3621 6.5087 6.5087 6.5148 6.5149 6.9995 6.9996 7.0043 7.0043 10.2092 10.2093 10.2129 10.2129 10.3140 10.3140 10.3160 10.3161 10.5775 10.5775 10.5844 10.5844 10.6476 10.6477 10.6587 10.6587 11.6420 11.6421 11.6598 11.6598 11.6729 11.6730 11.7600 11.7600 11.7905 11.7905 11.8122 11.8123 11.8974 11.8975 11.9069 11.9069 12.5778 12.5779 12.5973 12.5974 12.7421 12.7421 12.7560 12.7560 17.9227 17.9227 17.9384 17.9385 18.4400 18.4401 18.4673 18.4673 19.0783 19.0784 19.0925 19.0925 k = 0.5000 0.5000 0.4429 ( 3056 PWs) bands (ev): 3.9752 3.9752 3.9788 3.9788 4.3289 4.3290 4.3340 4.3340 6.5247 6.5247 6.5308 6.5308 6.9247 6.9247 6.9296 6.9296 10.2234 10.2234 10.2275 10.2275 10.3089 10.3090 10.3117 10.3117 10.5799 10.5799 10.5869 10.5869 10.6367 10.6367 10.6463 10.6463 11.6529 11.6529 11.6673 11.6673 11.6788 11.6788 11.7726 11.7726 11.7964 11.7964 11.8204 11.8204 11.8869 11.8869 11.8965 11.8965 12.5861 12.5861 12.6066 12.6067 12.7204 12.7204 12.7345 12.7345 18.0576 18.0577 18.0752 18.0753 18.5024 18.5025 18.5323 18.5324 19.0607 19.0607 19.0732 19.0733 k = 0.5000 0.5000 0.4571 ( 3048 PWs) bands (ev): 4.0268 4.0268 4.0306 4.0306 4.2960 4.2961 4.3009 4.3010 6.5496 6.5496 6.5557 6.5557 6.8541 6.8541 6.8591 6.8591 10.2371 10.2371 10.2416 10.2416 10.3025 10.3025 10.3057 10.3058 10.5831 10.5832 10.5905 10.5905 10.6268 10.6268 10.6350 10.6350 11.6625 11.6625 11.6734 11.6734 11.6826 11.6827 11.7840 11.7840 11.8017 11.8017 11.8288 11.8288 11.8766 11.8766 11.8862 11.8862 12.5958 12.5958 12.6176 12.6176 12.7001 12.7001 12.7140 12.7141 18.1861 18.1862 18.2062 18.2063 18.5493 18.5494 18.5818 18.5819 19.0382 19.0382 19.0477 19.0478 k = 0.5000 0.5000 0.4714 ( 3036 PWs) bands (ev): 4.0774 4.0774 4.0813 4.0813 4.2587 4.2588 4.2636 4.2636 6.5829 6.5830 6.5889 6.5889 6.7882 6.7882 6.7933 6.7933 10.2501 10.2501 10.2549 10.2549 10.2946 10.2946 10.2982 10.2982 10.5871 10.5871 10.5951 10.5951 10.6181 10.6181 10.6248 10.6248 11.6707 11.6707 11.6779 11.6779 11.6844 11.6845 11.7930 11.7930 11.8070 11.8070 11.8376 11.8376 11.8670 11.8671 11.8760 11.8760 12.6066 12.6066 12.6302 12.6302 12.6818 12.6818 12.6948 12.6948 18.3054 18.3054 18.3293 18.3293 18.5726 18.5727 18.6062 18.6062 19.0135 19.0135 19.0153 19.0153 k = 0.5000 0.5000 0.4857 ( 3016 PWs) bands (ev): 4.1264 4.1264 4.1304 4.1304 4.2176 4.2177 4.2224 4.2225 6.6239 6.6240 6.6299 6.6300 6.7276 6.7277 6.7327 6.7328 10.2621 10.2621 10.2675 10.2675 10.2858 10.2858 10.2893 10.2893 10.5915 10.5915 10.6010 10.6010 10.6111 10.6112 10.6158 10.6158 11.6771 11.6771 11.6807 11.6807 11.6841 11.6841 11.7982 11.7982 11.8124 11.8124 11.8468 11.8469 11.8595 11.8595 11.8661 11.8661 12.6172 12.6172 12.6443 12.6443 12.6667 12.6667 12.6766 12.6767 18.4097 18.4097 18.4405 18.4406 18.5622 18.5623 18.5914 18.5915 18.9837 18.9838 18.9900 18.9900 k = 0.5000 0.5000 0.5000 ( 3016 PWs) bands (ev): 4.1733 4.1733 4.1734 4.1734 4.1734 4.1734 4.1821 4.1821 6.6670 6.6670 6.6781 6.6781 6.6781 6.6781 6.6781 6.6781 10.2700 10.2700 10.2789 10.2789 10.2790 10.2790 10.2790 10.2790 10.5938 10.5938 10.6078 10.6078 10.6078 10.6078 10.6078 10.6078 11.6816 11.6816 11.6816 11.6816 11.6816 11.6816 11.7997 11.7997 11.8149 11.8149 11.8563 11.8563 11.8563 11.8563 11.8563 11.8563 12.6226 12.6226 12.6598 12.6598 12.6598 12.6598 12.6598 12.6598 18.4721 18.4721 18.5323 18.5323 18.5324 18.5324 18.5324 18.5324 18.9802 18.9802 18.9803 18.9806 Writing output data file SiNi.save init_run : 0.92s CPU 0.52s WALL ( 1 calls) electrons : 426.29s CPU 355.21s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.10s CPU 0.07s WALL ( 1 calls) Called by electrons: c_bands : 426.28s CPU 355.20s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.00s WALL ( 1 calls) newd : 0.46s CPU 0.24s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.22s CPU 0.26s WALL ( 272 calls) cegterg : 365.49s CPU 320.54s WALL ( 534 calls) Called by sum_band: Called by *egterg: h_psi : 237.95s CPU 184.95s WALL ( 8437 calls) s_psi : 21.15s CPU 16.28s WALL ( 8437 calls) g_psi : 0.16s CPU 0.12s WALL ( 7631 calls) cdiaghg : 135.05s CPU 125.69s WALL ( 7903 calls) cegterg:over : 11.30s CPU 10.38s WALL ( 7631 calls) cegterg:upda : 5.40s CPU 4.83s WALL ( 7631 calls) cegterg:last : 2.95s CPU 3.12s WALL ( 1350 calls) cdiaghg:chol : 5.49s CPU 5.23s WALL ( 7903 calls) cdiaghg:inve : 3.55s CPU 3.44s WALL ( 7903 calls) cdiaghg:para : 7.14s CPU 6.97s WALL ( 15806 calls) Called by h_psi: h_psi:vloc : 199.29s CPU 154.56s WALL ( 8437 calls) h_psi:vnl : 38.50s CPU 30.26s WALL ( 8437 calls) add_vuspsi : 22.95s CPU 17.36s WALL ( 8437 calls) General routines calbec : 15.53s CPU 12.87s WALL ( 8437 calls) fft : 0.09s CPU 0.04s WALL ( 19 calls) ffts : 0.03s CPU 0.02s WALL ( 4 calls) fftw : 194.86s CPU 151.06s WALL ( 1110816 calls) interpolate : 0.04s CPU 0.02s WALL ( 4 calls) davcio : 0.24s CPU 0.36s WALL ( 544 calls) Parallel routines fft_scatter : 125.50s CPU 105.38s WALL ( 1110839 calls) PWSCF : 7m33.88s CPU 6m38.94s WALL This run was terminated on: 16:48:51 28Mar2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=