Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 16:54:59 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./CdTe.save/ file Cd.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4D 4D renormalized file Te.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 5P renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 83 19 6 4483 507 86 Max 84 20 7 4486 528 89 Sum 3011 711 223 161431 18701 3151 bravais-lattice index = 14 lattice parameter (alat) = 7.7098 a.u. unit-cell volume = 592.1948 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 2 number of electrons = 36.00 number of Kohn-Sham states= 44 kinetic-energy cutoff = 38.0000 Ry charge density cutoff = 639.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.709754 celldm(2)= 1.000000 celldm(3)= 1.295153 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.067036 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.067036 0.997751 0.000000 ) a(3) = ( 0.000000 0.000000 1.295153 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.067187 -0.000000 ) b(2) = ( 0.000000 1.002255 -0.000000 ) b(3) = ( 0.000000 0.000000 0.772109 ) PseudoPot. # 1 for Cd read from file: /users/gautes/Pseudo/Cd.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 1d41bce1441572f114805845d9d822b0 Pseudo is Ultrasoft + core correction, Zval = 12.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1239 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Te read from file: /users/gautes/Pseudo/Te.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: d7fe42880ce6991a805b4693d1f2335c Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1245 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 Cd 12.00 112.41100 Cd( 1.00) Te 6.00 127.60000 Te( 1.00) 2 Sym. Ops., with inversion, found (note: 2 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 inversion cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 2) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group C_i (-1) there are 4 classes and 2 irreducible representations the character table: E -E i -i G_2+ 1.00 -1.00 1.00 -1.00 G_2- 1.00 -1.00 -1.00 1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E i 2 inversion -i -2 inversion E Cartesian axes number of k points= 426 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023474 k( 2) = ( 0.0088413 0.0094552 -0.0000000), wk = 0.0023474 k( 3) = ( 0.0176825 0.0189105 -0.0000000), wk = 0.0023474 k( 4) = ( 0.0265238 0.0283657 -0.0000000), wk = 0.0023474 k( 5) = ( 0.0353651 0.0378209 -0.0000000), wk = 0.0023474 k( 6) = ( 0.0442064 0.0472762 -0.0000000), wk = 0.0023474 k( 7) = ( 0.0530477 0.0567314 -0.0000000), wk = 0.0023474 k( 8) = ( 0.0618889 0.0661866 -0.0000000), wk = 0.0023474 k( 9) = ( 0.0707302 0.0756419 -0.0000000), wk = 0.0023474 k( 10) = ( 0.0795715 0.0850971 -0.0000000), wk = 0.0023474 k( 11) = ( 0.0884128 0.0945523 -0.0000000), wk = 0.0023474 k( 12) = ( 0.0972540 0.1040076 -0.0000000), wk = 0.0023474 k( 13) = ( 0.1060953 0.1134628 -0.0000000), wk = 0.0023474 k( 14) = ( 0.1149366 0.1229180 -0.0000000), wk = 0.0023474 k( 15) = ( 0.1237779 0.1323732 -0.0000000), wk = 0.0023474 k( 16) = ( 0.1326191 0.1418285 -0.0000000), wk = 0.0023474 k( 17) = ( 0.1414604 0.1512837 -0.0000000), wk = 0.0023474 k( 18) = ( 0.1503017 0.1607389 -0.0000000), wk = 0.0023474 k( 19) = ( 0.1591430 0.1701942 -0.0000000), wk = 0.0023474 k( 20) = ( 0.1679842 0.1796494 -0.0000000), wk = 0.0023474 k( 21) = ( 0.1768255 0.1891046 -0.0000000), wk = 0.0023474 k( 22) = ( 0.1856668 0.1985599 -0.0000000), wk = 0.0023474 k( 23) = ( 0.1945081 0.2080151 -0.0000000), wk = 0.0023474 k( 24) = ( 0.2033494 0.2174703 -0.0000000), wk = 0.0023474 k( 25) = ( 0.2121906 0.2269256 -0.0000000), wk = 0.0023474 k( 26) = ( 0.2210319 0.2363808 -0.0000000), wk = 0.0023474 k( 27) = ( 0.2298732 0.2458360 -0.0000000), wk = 0.0023474 k( 28) = ( 0.2387144 0.2552912 -0.0000000), wk = 0.0023474 k( 29) = ( 0.2475557 0.2647465 -0.0000000), wk = 0.0023474 k( 30) = ( 0.2563970 0.2742017 -0.0000000), wk = 0.0023474 k( 31) = ( 0.2652383 0.2836569 -0.0000000), wk = 0.0023474 k( 32) = ( 0.2740796 0.2931122 -0.0000000), wk = 0.0023474 k( 33) = ( 0.2829208 0.3025674 -0.0000000), wk = 0.0023474 k( 34) = ( 0.2917621 0.3120226 -0.0000000), wk = 0.0023474 k( 35) = ( 0.3006034 0.3214779 -0.0000000), wk = 0.0023474 k( 36) = ( 0.3094447 0.3309331 -0.0000000), wk = 0.0023474 k( 37) = ( 0.3182859 0.3403883 -0.0000000), wk = 0.0023474 k( 38) = ( 0.3271272 0.3498436 -0.0000000), wk = 0.0023474 k( 39) = ( 0.3359685 0.3592988 -0.0000000), wk = 0.0023474 k( 40) = ( 0.3448098 0.3687540 -0.0000000), wk = 0.0023474 k( 41) = ( 0.3536510 0.3782093 -0.0000000), wk = 0.0023474 k( 42) = ( 0.3624923 0.3876645 -0.0000000), wk = 0.0023474 k( 43) = ( 0.3713336 0.3971197 -0.0000000), wk = 0.0023474 k( 44) = ( 0.3801749 0.4065750 -0.0000000), wk = 0.0023474 k( 45) = ( 0.3890161 0.4160302 -0.0000000), wk = 0.0023474 k( 46) = ( 0.3978574 0.4254854 -0.0000000), wk = 0.0023474 k( 47) = ( 0.4066987 0.4349407 -0.0000000), wk = 0.0023474 k( 48) = ( 0.4155400 0.4443959 -0.0000000), wk = 0.0023474 k( 49) = ( 0.4243812 0.4538511 -0.0000000), wk = 0.0023474 k( 50) = ( 0.4332225 0.4633063 -0.0000000), wk = 0.0023474 k( 51) = ( 0.4420638 0.4727616 -0.0000000), wk = 0.0023474 k( 52) = ( 0.4509051 0.4822168 -0.0000000), wk = 0.0023474 k( 53) = ( 0.4597464 0.4916720 -0.0000000), wk = 0.0023474 k( 54) = ( 0.4685876 0.5011273 -0.0000000), wk = 0.0023474 k( 55) = ( 0.4685876 0.5011273 -0.0000000), wk = 0.0023474 k( 56) = ( 0.4559231 0.5011273 -0.0000000), wk = 0.0023474 k( 57) = ( 0.4432586 0.5011273 -0.0000000), wk = 0.0023474 k( 58) = ( 0.4305940 0.5011273 -0.0000000), wk = 0.0023474 k( 59) = ( 0.4179295 0.5011273 -0.0000000), wk = 0.0023474 k( 60) = ( 0.4052650 0.5011273 -0.0000000), wk = 0.0023474 k( 61) = ( 0.3926004 0.5011273 -0.0000000), wk = 0.0023474 k( 62) = ( 0.3799359 0.5011273 -0.0000000), wk = 0.0023474 k( 63) = ( 0.3672714 0.5011273 -0.0000000), wk = 0.0023474 k( 64) = ( 0.3546068 0.5011273 -0.0000000), wk = 0.0023474 k( 65) = ( 0.3419423 0.5011273 -0.0000000), wk = 0.0023474 k( 66) = ( 0.3292778 0.5011273 -0.0000000), wk = 0.0023474 k( 67) = ( 0.3166133 0.5011273 -0.0000000), wk = 0.0023474 k( 68) = ( 0.3039487 0.5011273 -0.0000000), wk = 0.0023474 k( 69) = ( 0.2912842 0.5011273 -0.0000000), wk = 0.0023474 k( 70) = ( 0.2786197 0.5011273 -0.0000000), wk = 0.0023474 k( 71) = ( 0.2659551 0.5011273 -0.0000000), wk = 0.0023474 k( 72) = ( 0.2532906 0.5011273 -0.0000000), wk = 0.0023474 k( 73) = ( 0.2406261 0.5011273 -0.0000000), wk = 0.0023474 k( 74) = ( 0.2279616 0.5011273 -0.0000000), wk = 0.0023474 k( 75) = ( 0.2152970 0.5011273 -0.0000000), wk = 0.0023474 k( 76) = ( 0.2026325 0.5011273 -0.0000000), wk = 0.0023474 k( 77) = ( 0.1899680 0.5011273 -0.0000000), wk = 0.0023474 k( 78) = ( 0.1773034 0.5011273 -0.0000000), wk = 0.0023474 k( 79) = ( 0.1646389 0.5011273 -0.0000000), wk = 0.0023474 k( 80) = ( 0.1519744 0.5011273 -0.0000000), wk = 0.0023474 k( 81) = ( 0.1393098 0.5011273 -0.0000000), wk = 0.0023474 k( 82) = ( 0.1266453 0.5011273 -0.0000000), wk = 0.0023474 k( 83) = ( 0.1139808 0.5011273 -0.0000000), wk = 0.0023474 k( 84) = ( 0.1013162 0.5011273 -0.0000000), wk = 0.0023474 k( 85) = ( 0.0886517 0.5011273 -0.0000000), wk = 0.0023474 k( 86) = ( 0.0759872 0.5011273 -0.0000000), wk = 0.0023474 k( 87) = ( 0.0633226 0.5011273 -0.0000000), wk = 0.0023474 k( 88) = ( 0.0506581 0.5011273 -0.0000000), wk = 0.0023474 k( 89) = ( 0.0379936 0.5011273 -0.0000000), wk = 0.0023474 k( 90) = ( 0.0253291 0.5011273 -0.0000000), wk = 0.0023474 k( 91) = ( 0.0126645 0.5011273 -0.0000000), wk = 0.0023474 k( 92) = ( 0.0000000 0.5011273 -0.0000000), wk = 0.0023474 k( 93) = ( 0.0000000 0.5011273 -0.0000000), wk = 0.0023474 k( 94) = ( 0.0000000 0.5011273 0.0128685), wk = 0.0023474 k( 95) = ( 0.0000000 0.5011273 0.0257370), wk = 0.0023474 k( 96) = ( 0.0000000 0.5011273 0.0386055), wk = 0.0023474 k( 97) = ( 0.0000000 0.5011273 0.0514740), wk = 0.0023474 k( 98) = ( 0.0000000 0.5011273 0.0643425), wk = 0.0023474 k( 99) = ( 0.0000000 0.5011273 0.0772109), wk = 0.0023474 k( 100) = ( 0.0000000 0.5011273 0.0900794), wk = 0.0023474 k( 101) = ( 0.0000000 0.5011273 0.1029479), wk = 0.0023474 k( 102) = ( 0.0000000 0.5011273 0.1158164), wk = 0.0023474 k( 103) = ( 0.0000000 0.5011273 0.1286849), wk = 0.0023474 k( 104) = ( 0.0000000 0.5011273 0.1415534), wk = 0.0023474 k( 105) = ( 0.0000000 0.5011273 0.1544219), wk = 0.0023474 k( 106) = ( 0.0000000 0.5011273 0.1672904), wk = 0.0023474 k( 107) = ( 0.0000000 0.5011273 0.1801589), wk = 0.0023474 k( 108) = ( 0.0000000 0.5011273 0.1930274), wk = 0.0023474 k( 109) = ( 0.0000000 0.5011273 0.2058959), wk = 0.0023474 k( 110) = ( 0.0000000 0.5011273 0.2187643), wk = 0.0023474 k( 111) = ( 0.0000000 0.5011273 0.2316328), wk = 0.0023474 k( 112) = ( 0.0000000 0.5011273 0.2445013), wk = 0.0023474 k( 113) = ( 0.0000000 0.5011273 0.2573698), wk = 0.0023474 k( 114) = ( 0.0000000 0.5011273 0.2702383), wk = 0.0023474 k( 115) = ( 0.0000000 0.5011273 0.2831068), wk = 0.0023474 k( 116) = ( 0.0000000 0.5011273 0.2959753), wk = 0.0023474 k( 117) = ( 0.0000000 0.5011273 0.3088438), wk = 0.0023474 k( 118) = ( 0.0000000 0.5011273 0.3217123), wk = 0.0023474 k( 119) = ( 0.0000000 0.5011273 0.3345808), wk = 0.0023474 k( 120) = ( 0.0000000 0.5011273 0.3474492), wk = 0.0023474 k( 121) = ( 0.0000000 0.5011273 0.3603177), wk = 0.0023474 k( 122) = ( 0.0000000 0.5011273 0.3731862), wk = 0.0023474 k( 123) = ( 0.0000000 0.5011273 0.3860547), wk = 0.0023474 k( 124) = ( 0.0000000 0.5011273 0.3860547), wk = 0.0023474 k( 125) = ( 0.0126645 0.5011273 0.3860547), wk = 0.0023474 k( 126) = ( 0.0253291 0.5011273 0.3860547), wk = 0.0023474 k( 127) = ( 0.0379936 0.5011273 0.3860547), wk = 0.0023474 k( 128) = ( 0.0506581 0.5011273 0.3860547), wk = 0.0023474 k( 129) = ( 0.0633226 0.5011273 0.3860547), wk = 0.0023474 k( 130) = ( 0.0759872 0.5011273 0.3860547), wk = 0.0023474 k( 131) = ( 0.0886517 0.5011273 0.3860547), wk = 0.0023474 k( 132) = ( 0.1013162 0.5011273 0.3860547), wk = 0.0023474 k( 133) = ( 0.1139808 0.5011273 0.3860547), wk = 0.0023474 k( 134) = ( 0.1266453 0.5011273 0.3860547), wk = 0.0023474 k( 135) = ( 0.1393098 0.5011273 0.3860547), wk = 0.0023474 k( 136) = ( 0.1519744 0.5011273 0.3860547), wk = 0.0023474 k( 137) = ( 0.1646389 0.5011273 0.3860547), wk = 0.0023474 k( 138) = ( 0.1773034 0.5011273 0.3860547), wk = 0.0023474 k( 139) = ( 0.1899680 0.5011273 0.3860547), wk = 0.0023474 k( 140) = ( 0.2026325 0.5011273 0.3860547), wk = 0.0023474 k( 141) = ( 0.2152970 0.5011273 0.3860547), wk = 0.0023474 k( 142) = ( 0.2279616 0.5011273 0.3860547), wk = 0.0023474 k( 143) = ( 0.2406261 0.5011273 0.3860547), wk = 0.0023474 k( 144) = ( 0.2532906 0.5011273 0.3860547), wk = 0.0023474 k( 145) = ( 0.2659551 0.5011273 0.3860547), wk = 0.0023474 k( 146) = ( 0.2786197 0.5011273 0.3860547), wk = 0.0023474 k( 147) = ( 0.2912842 0.5011273 0.3860547), wk = 0.0023474 k( 148) = ( 0.3039487 0.5011273 0.3860547), wk = 0.0023474 k( 149) = ( 0.3166133 0.5011273 0.3860547), wk = 0.0023474 k( 150) = ( 0.3292778 0.5011273 0.3860547), wk = 0.0023474 k( 151) = ( 0.3419423 0.5011273 0.3860547), wk = 0.0023474 k( 152) = ( 0.3546068 0.5011273 0.3860547), wk = 0.0023474 k( 153) = ( 0.3672714 0.5011273 0.3860547), wk = 0.0023474 k( 154) = ( 0.3799359 0.5011273 0.3860547), wk = 0.0023474 k( 155) = ( 0.3926004 0.5011273 0.3860547), wk = 0.0023474 k( 156) = ( 0.4052650 0.5011273 0.3860547), wk = 0.0023474 k( 157) = ( 0.4179295 0.5011273 0.3860547), wk = 0.0023474 k( 158) = ( 0.4305940 0.5011273 0.3860547), wk = 0.0023474 k( 159) = ( 0.4432586 0.5011273 0.3860547), wk = 0.0023474 k( 160) = ( 0.4559231 0.5011273 0.3860547), wk = 0.0023474 k( 161) = ( 0.4685876 0.5011273 0.3860547), wk = 0.0023474 k( 162) = ( 0.4685876 0.5011273 0.3860547), wk = 0.0023474 k( 163) = ( 0.4597464 0.4916720 0.3860547), wk = 0.0023474 k( 164) = ( 0.4509051 0.4822168 0.3860547), wk = 0.0023474 k( 165) = ( 0.4420638 0.4727616 0.3860547), wk = 0.0023474 k( 166) = ( 0.4332225 0.4633063 0.3860547), wk = 0.0023474 k( 167) = ( 0.4243812 0.4538511 0.3860547), wk = 0.0023474 k( 168) = ( 0.4155400 0.4443959 0.3860547), wk = 0.0023474 k( 169) = ( 0.4066987 0.4349407 0.3860547), wk = 0.0023474 k( 170) = ( 0.3978574 0.4254854 0.3860547), wk = 0.0023474 k( 171) = ( 0.3890161 0.4160302 0.3860547), wk = 0.0023474 k( 172) = ( 0.3801749 0.4065750 0.3860547), wk = 0.0023474 k( 173) = ( 0.3713336 0.3971197 0.3860547), wk = 0.0023474 k( 174) = ( 0.3624923 0.3876645 0.3860547), wk = 0.0023474 k( 175) = ( 0.3536510 0.3782093 0.3860547), wk = 0.0023474 k( 176) = ( 0.3448098 0.3687540 0.3860547), wk = 0.0023474 k( 177) = ( 0.3359685 0.3592988 0.3860547), wk = 0.0023474 k( 178) = ( 0.3271272 0.3498436 0.3860547), wk = 0.0023474 k( 179) = ( 0.3182859 0.3403883 0.3860547), wk = 0.0023474 k( 180) = ( 0.3094447 0.3309331 0.3860547), wk = 0.0023474 k( 181) = ( 0.3006034 0.3214779 0.3860547), wk = 0.0023474 k( 182) = ( 0.2917621 0.3120226 0.3860547), wk = 0.0023474 k( 183) = ( 0.2829208 0.3025674 0.3860547), wk = 0.0023474 k( 184) = ( 0.2740796 0.2931122 0.3860547), wk = 0.0023474 k( 185) = ( 0.2652383 0.2836569 0.3860547), wk = 0.0023474 k( 186) = ( 0.2563970 0.2742017 0.3860547), wk = 0.0023474 k( 187) = ( 0.2475557 0.2647465 0.3860547), wk = 0.0023474 k( 188) = ( 0.2387144 0.2552912 0.3860547), wk = 0.0023474 k( 189) = ( 0.2298732 0.2458360 0.3860547), wk = 0.0023474 k( 190) = ( 0.2210319 0.2363808 0.3860547), wk = 0.0023474 k( 191) = ( 0.2121906 0.2269256 0.3860547), wk = 0.0023474 k( 192) = ( 0.2033494 0.2174703 0.3860547), wk = 0.0023474 k( 193) = ( 0.1945081 0.2080151 0.3860547), wk = 0.0023474 k( 194) = ( 0.1856668 0.1985599 0.3860547), wk = 0.0023474 k( 195) = ( 0.1768255 0.1891046 0.3860547), wk = 0.0023474 k( 196) = ( 0.1679842 0.1796494 0.3860547), wk = 0.0023474 k( 197) = ( 0.1591430 0.1701942 0.3860547), wk = 0.0023474 k( 198) = ( 0.1503017 0.1607389 0.3860547), wk = 0.0023474 k( 199) = ( 0.1414604 0.1512837 0.3860547), wk = 0.0023474 k( 200) = ( 0.1326191 0.1418285 0.3860547), wk = 0.0023474 k( 201) = ( 0.1237779 0.1323732 0.3860547), wk = 0.0023474 k( 202) = ( 0.1149366 0.1229180 0.3860547), wk = 0.0023474 k( 203) = ( 0.1060953 0.1134628 0.3860547), wk = 0.0023474 k( 204) = ( 0.0972540 0.1040076 0.3860547), wk = 0.0023474 k( 205) = ( 0.0884128 0.0945523 0.3860547), wk = 0.0023474 k( 206) = ( 0.0795715 0.0850971 0.3860547), wk = 0.0023474 k( 207) = ( 0.0707302 0.0756419 0.3860547), wk = 0.0023474 k( 208) = ( 0.0618889 0.0661866 0.3860547), wk = 0.0023474 k( 209) = ( 0.0530477 0.0567314 0.3860547), wk = 0.0023474 k( 210) = ( 0.0442064 0.0472762 0.3860547), wk = 0.0023474 k( 211) = ( 0.0353651 0.0378209 0.3860547), wk = 0.0023474 k( 212) = ( 0.0265238 0.0283657 0.3860547), wk = 0.0023474 k( 213) = ( 0.0176825 0.0189105 0.3860547), wk = 0.0023474 k( 214) = ( 0.0088413 0.0094552 0.3860547), wk = 0.0023474 k( 215) = ( 0.0000000 0.0000000 0.3860547), wk = 0.0023474 k( 216) = ( 0.0000000 0.0000000 0.3860547), wk = 0.0023474 k( 217) = ( 0.0000000 0.0000000 0.3731862), wk = 0.0023474 k( 218) = ( 0.0000000 0.0000000 0.3603177), wk = 0.0023474 k( 219) = ( 0.0000000 0.0000000 0.3474492), wk = 0.0023474 k( 220) = ( 0.0000000 0.0000000 0.3345808), wk = 0.0023474 k( 221) = ( 0.0000000 0.0000000 0.3217123), wk = 0.0023474 k( 222) = ( 0.0000000 0.0000000 0.3088438), wk = 0.0023474 k( 223) = ( 0.0000000 0.0000000 0.2959753), wk = 0.0023474 k( 224) = ( 0.0000000 0.0000000 0.2831068), wk = 0.0023474 k( 225) = ( 0.0000000 0.0000000 0.2702383), wk = 0.0023474 k( 226) = ( 0.0000000 0.0000000 0.2573698), wk = 0.0023474 k( 227) = ( 0.0000000 0.0000000 0.2445013), wk = 0.0023474 k( 228) = ( 0.0000000 0.0000000 0.2316328), wk = 0.0023474 k( 229) = ( 0.0000000 0.0000000 0.2187643), wk = 0.0023474 k( 230) = ( 0.0000000 0.0000000 0.2058959), wk = 0.0023474 k( 231) = ( 0.0000000 0.0000000 0.1930274), wk = 0.0023474 k( 232) = ( 0.0000000 0.0000000 0.1801589), wk = 0.0023474 k( 233) = ( 0.0000000 0.0000000 0.1672904), wk = 0.0023474 k( 234) = ( 0.0000000 0.0000000 0.1544219), wk = 0.0023474 k( 235) = ( 0.0000000 0.0000000 0.1415534), wk = 0.0023474 k( 236) = ( 0.0000000 0.0000000 0.1286849), wk = 0.0023474 k( 237) = ( 0.0000000 0.0000000 0.1158164), wk = 0.0023474 k( 238) = ( 0.0000000 0.0000000 0.1029479), wk = 0.0023474 k( 239) = ( 0.0000000 0.0000000 0.0900794), wk = 0.0023474 k( 240) = ( 0.0000000 0.0000000 0.0772109), wk = 0.0023474 k( 241) = ( 0.0000000 0.0000000 0.0643425), wk = 0.0023474 k( 242) = ( 0.0000000 0.0000000 0.0514740), wk = 0.0023474 k( 243) = ( 0.0000000 0.0000000 0.0386055), wk = 0.0023474 k( 244) = ( 0.0000000 0.0000000 0.0257370), wk = 0.0023474 k( 245) = ( 0.0000000 0.0000000 0.0128685), wk = 0.0023474 k( 246) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023474 k( 247) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023474 k( 248) = ( -0.0094340 0.0088214 0.0000000), wk = 0.0023474 k( 249) = ( -0.0188679 0.0176428 0.0000000), wk = 0.0023474 k( 250) = ( -0.0283019 0.0264642 0.0000000), wk = 0.0023474 k( 251) = ( -0.0377359 0.0352856 0.0000000), wk = 0.0023474 k( 252) = ( -0.0471698 0.0441069 0.0000000), wk = 0.0023474 k( 253) = ( -0.0566038 0.0529283 0.0000000), wk = 0.0023474 k( 254) = ( -0.0660377 0.0617497 0.0000000), wk = 0.0023474 k( 255) = ( -0.0754717 0.0705711 0.0000000), wk = 0.0023474 k( 256) = ( -0.0849057 0.0793925 0.0000000), wk = 0.0023474 k( 257) = ( -0.0943396 0.0882139 0.0000000), wk = 0.0023474 k( 258) = ( -0.1037736 0.0970353 0.0000000), wk = 0.0023474 k( 259) = ( -0.1132076 0.1058567 0.0000000), wk = 0.0023474 k( 260) = ( -0.1226415 0.1146780 0.0000000), wk = 0.0023474 k( 261) = ( -0.1320755 0.1234994 0.0000000), wk = 0.0023474 k( 262) = ( -0.1415094 0.1323208 0.0000000), wk = 0.0023474 k( 263) = ( -0.1509434 0.1411422 0.0000000), wk = 0.0023474 k( 264) = ( -0.1603774 0.1499636 0.0000000), wk = 0.0023474 k( 265) = ( -0.1698113 0.1587850 0.0000000), wk = 0.0023474 k( 266) = ( -0.1792453 0.1676064 0.0000000), wk = 0.0023474 k( 267) = ( -0.1886792 0.1764278 0.0000000), wk = 0.0023474 k( 268) = ( -0.1981132 0.1852491 0.0000000), wk = 0.0023474 k( 269) = ( -0.2075472 0.1940705 0.0000000), wk = 0.0023474 k( 270) = ( -0.2169811 0.2028919 0.0000000), wk = 0.0023474 k( 271) = ( -0.2264151 0.2117133 0.0000000), wk = 0.0023474 k( 272) = ( -0.2358491 0.2205347 0.0000000), wk = 0.0023474 k( 273) = ( -0.2452830 0.2293561 0.0000000), wk = 0.0023474 k( 274) = ( -0.2547170 0.2381775 0.0000000), wk = 0.0023474 k( 275) = ( -0.2641509 0.2469989 0.0000000), wk = 0.0023474 k( 276) = ( -0.2735849 0.2558203 0.0000000), wk = 0.0023474 k( 277) = ( -0.2830189 0.2646416 0.0000000), wk = 0.0023474 k( 278) = ( -0.2924528 0.2734630 0.0000000), wk = 0.0023474 k( 279) = ( -0.3018868 0.2822844 0.0000000), wk = 0.0023474 k( 280) = ( -0.3113207 0.2911058 0.0000000), wk = 0.0023474 k( 281) = ( -0.3207547 0.2999272 0.0000000), wk = 0.0023474 k( 282) = ( -0.3301887 0.3087486 0.0000000), wk = 0.0023474 k( 283) = ( -0.3396226 0.3175700 0.0000000), wk = 0.0023474 k( 284) = ( -0.3490566 0.3263913 0.0000000), wk = 0.0023474 k( 285) = ( -0.3584906 0.3352127 0.0000000), wk = 0.0023474 k( 286) = ( -0.3679245 0.3440341 0.0000000), wk = 0.0023474 k( 287) = ( -0.3773585 0.3528555 0.0000000), wk = 0.0023474 k( 288) = ( -0.3867925 0.3616769 0.0000000), wk = 0.0023474 k( 289) = ( -0.3962264 0.3704983 0.0000000), wk = 0.0023474 k( 290) = ( -0.4056604 0.3793197 0.0000000), wk = 0.0023474 k( 291) = ( -0.4150943 0.3881411 0.0000000), wk = 0.0023474 k( 292) = ( -0.4245283 0.3969625 0.0000000), wk = 0.0023474 k( 293) = ( -0.4339623 0.4057838 0.0000000), wk = 0.0023474 k( 294) = ( -0.4433962 0.4146052 0.0000000), wk = 0.0023474 k( 295) = ( -0.4528302 0.4234266 0.0000000), wk = 0.0023474 k( 296) = ( -0.4622641 0.4322480 0.0000000), wk = 0.0023474 k( 297) = ( -0.4716981 0.4410694 0.0000000), wk = 0.0023474 k( 298) = ( -0.4811321 0.4498908 0.0000000), wk = 0.0023474 k( 299) = ( -0.4905660 0.4587122 0.0000000), wk = 0.0023474 k( 300) = ( -0.5000000 0.4675336 0.0000000), wk = 0.0023474 k( 301) = ( -0.5000000 0.4675336 0.0000000), wk = 0.0023474 k( 302) = ( -0.4921469 0.4759320 -0.0000000), wk = 0.0023474 k( 303) = ( -0.4842938 0.4843304 -0.0000000), wk = 0.0023474 k( 304) = ( -0.4764407 0.4927288 -0.0000000), wk = 0.0023474 k( 305) = ( -0.4685876 0.5011273 -0.0000000), wk = 0.0023474 k( 306) = ( -0.4685876 0.5011273 -0.0000000), wk = 0.0023474 k( 307) = ( -0.4685876 0.5011273 0.0128685), wk = 0.0023474 k( 308) = ( -0.4685876 0.5011273 0.0257370), wk = 0.0023474 k( 309) = ( -0.4685876 0.5011273 0.0386055), wk = 0.0023474 k( 310) = ( -0.4685876 0.5011273 0.0514740), wk = 0.0023474 k( 311) = ( -0.4685876 0.5011273 0.0643425), wk = 0.0023474 k( 312) = ( -0.4685876 0.5011273 0.0772109), wk = 0.0023474 k( 313) = ( -0.4685876 0.5011273 0.0900794), wk = 0.0023474 k( 314) = ( -0.4685876 0.5011273 0.1029479), wk = 0.0023474 k( 315) = ( -0.4685876 0.5011273 0.1158164), wk = 0.0023474 k( 316) = ( -0.4685876 0.5011273 0.1286849), wk = 0.0023474 k( 317) = ( -0.4685876 0.5011273 0.1415534), wk = 0.0023474 k( 318) = ( -0.4685876 0.5011273 0.1544219), wk = 0.0023474 k( 319) = ( -0.4685876 0.5011273 0.1672904), wk = 0.0023474 k( 320) = ( -0.4685876 0.5011273 0.1801589), wk = 0.0023474 k( 321) = ( -0.4685876 0.5011273 0.1930274), wk = 0.0023474 k( 322) = ( -0.4685876 0.5011273 0.2058959), wk = 0.0023474 k( 323) = ( -0.4685876 0.5011273 0.2187643), wk = 0.0023474 k( 324) = ( -0.4685876 0.5011273 0.2316328), wk = 0.0023474 k( 325) = ( -0.4685876 0.5011273 0.2445013), wk = 0.0023474 k( 326) = ( -0.4685876 0.5011273 0.2573698), wk = 0.0023474 k( 327) = ( -0.4685876 0.5011273 0.2702383), wk = 0.0023474 k( 328) = ( -0.4685876 0.5011273 0.2831068), wk = 0.0023474 k( 329) = ( -0.4685876 0.5011273 0.2959753), wk = 0.0023474 k( 330) = ( -0.4685876 0.5011273 0.3088438), wk = 0.0023474 k( 331) = ( -0.4685876 0.5011273 0.3217123), wk = 0.0023474 k( 332) = ( -0.4685876 0.5011273 0.3345808), wk = 0.0023474 k( 333) = ( -0.4685876 0.5011273 0.3474492), wk = 0.0023474 k( 334) = ( -0.4685876 0.5011273 0.3603177), wk = 0.0023474 k( 335) = ( -0.4685876 0.5011273 0.3731862), wk = 0.0023474 k( 336) = ( -0.4685876 0.5011273 0.3860547), wk = 0.0023474 k( 337) = ( -0.4685876 0.5011273 0.3860547), wk = 0.0023474 k( 338) = ( -0.4764407 0.4927288 0.3860547), wk = 0.0023474 k( 339) = ( -0.4842938 0.4843304 0.3860547), wk = 0.0023474 k( 340) = ( -0.4921469 0.4759320 0.3860547), wk = 0.0023474 k( 341) = ( -0.5000000 0.4675336 0.3860547), wk = 0.0023474 k( 342) = ( -0.5000000 0.4675336 0.3860547), wk = 0.0023474 k( 343) = ( -0.5000000 0.4675336 0.3731862), wk = 0.0023474 k( 344) = ( -0.5000000 0.4675336 0.3603177), wk = 0.0023474 k( 345) = ( -0.5000000 0.4675336 0.3474492), wk = 0.0023474 k( 346) = ( -0.5000000 0.4675336 0.3345808), wk = 0.0023474 k( 347) = ( -0.5000000 0.4675336 0.3217123), wk = 0.0023474 k( 348) = ( -0.5000000 0.4675336 0.3088438), wk = 0.0023474 k( 349) = ( -0.5000000 0.4675336 0.2959753), wk = 0.0023474 k( 350) = ( -0.5000000 0.4675336 0.2831068), wk = 0.0023474 k( 351) = ( -0.5000000 0.4675336 0.2702383), wk = 0.0023474 k( 352) = ( -0.5000000 0.4675336 0.2573698), wk = 0.0023474 k( 353) = ( -0.5000000 0.4675336 0.2445013), wk = 0.0023474 k( 354) = ( -0.5000000 0.4675336 0.2316328), wk = 0.0023474 k( 355) = ( -0.5000000 0.4675336 0.2187643), wk = 0.0023474 k( 356) = ( -0.5000000 0.4675336 0.2058959), wk = 0.0023474 k( 357) = ( -0.5000000 0.4675336 0.1930274), wk = 0.0023474 k( 358) = ( -0.5000000 0.4675336 0.1801589), wk = 0.0023474 k( 359) = ( -0.5000000 0.4675336 0.1672904), wk = 0.0023474 k( 360) = ( -0.5000000 0.4675336 0.1544219), wk = 0.0023474 k( 361) = ( -0.5000000 0.4675336 0.1415534), wk = 0.0023474 k( 362) = ( -0.5000000 0.4675336 0.1286849), wk = 0.0023474 k( 363) = ( -0.5000000 0.4675336 0.1158164), wk = 0.0023474 k( 364) = ( -0.5000000 0.4675336 0.1029479), wk = 0.0023474 k( 365) = ( -0.5000000 0.4675336 0.0900794), wk = 0.0023474 k( 366) = ( -0.5000000 0.4675336 0.0772109), wk = 0.0023474 k( 367) = ( -0.5000000 0.4675336 0.0643425), wk = 0.0023474 k( 368) = ( -0.5000000 0.4675336 0.0514740), wk = 0.0023474 k( 369) = ( -0.5000000 0.4675336 0.0386055), wk = 0.0023474 k( 370) = ( -0.5000000 0.4675336 0.0257370), wk = 0.0023474 k( 371) = ( -0.5000000 0.4675336 0.0128685), wk = 0.0023474 k( 372) = ( -0.5000000 0.4675336 0.0000000), wk = 0.0023474 k( 373) = ( 0.0000000 0.0000000 0.3860547), wk = 0.0023474 k( 374) = ( -0.0094340 0.0088214 0.3860547), wk = 0.0023474 k( 375) = ( -0.0188679 0.0176428 0.3860547), wk = 0.0023474 k( 376) = ( -0.0283019 0.0264642 0.3860547), wk = 0.0023474 k( 377) = ( -0.0377359 0.0352856 0.3860547), wk = 0.0023474 k( 378) = ( -0.0471698 0.0441069 0.3860547), wk = 0.0023474 k( 379) = ( -0.0566038 0.0529283 0.3860547), wk = 0.0023474 k( 380) = ( -0.0660377 0.0617497 0.3860547), wk = 0.0023474 k( 381) = ( -0.0754717 0.0705711 0.3860547), wk = 0.0023474 k( 382) = ( -0.0849057 0.0793925 0.3860547), wk = 0.0023474 k( 383) = ( -0.0943396 0.0882139 0.3860547), wk = 0.0023474 k( 384) = ( -0.1037736 0.0970353 0.3860547), wk = 0.0023474 k( 385) = ( -0.1132076 0.1058567 0.3860547), wk = 0.0023474 k( 386) = ( -0.1226415 0.1146780 0.3860547), wk = 0.0023474 k( 387) = ( -0.1320755 0.1234994 0.3860547), wk = 0.0023474 k( 388) = ( -0.1415094 0.1323208 0.3860547), wk = 0.0023474 k( 389) = ( -0.1509434 0.1411422 0.3860547), wk = 0.0023474 k( 390) = ( -0.1603774 0.1499636 0.3860547), wk = 0.0023474 k( 391) = ( -0.1698113 0.1587850 0.3860547), wk = 0.0023474 k( 392) = ( -0.1792453 0.1676064 0.3860547), wk = 0.0023474 k( 393) = ( -0.1886792 0.1764278 0.3860547), wk = 0.0023474 k( 394) = ( -0.1981132 0.1852491 0.3860547), wk = 0.0023474 k( 395) = ( -0.2075472 0.1940705 0.3860547), wk = 0.0023474 k( 396) = ( -0.2169811 0.2028919 0.3860547), wk = 0.0023474 k( 397) = ( -0.2264151 0.2117133 0.3860547), wk = 0.0023474 k( 398) = ( -0.2358491 0.2205347 0.3860547), wk = 0.0023474 k( 399) = ( -0.2452830 0.2293561 0.3860547), wk = 0.0023474 k( 400) = ( -0.2547170 0.2381775 0.3860547), wk = 0.0023474 k( 401) = ( -0.2641509 0.2469989 0.3860547), wk = 0.0023474 k( 402) = ( -0.2735849 0.2558203 0.3860547), wk = 0.0023474 k( 403) = ( -0.2830189 0.2646416 0.3860547), wk = 0.0023474 k( 404) = ( -0.2924528 0.2734630 0.3860547), wk = 0.0023474 k( 405) = ( -0.3018868 0.2822844 0.3860547), wk = 0.0023474 k( 406) = ( -0.3113207 0.2911058 0.3860547), wk = 0.0023474 k( 407) = ( -0.3207547 0.2999272 0.3860547), wk = 0.0023474 k( 408) = ( -0.3301887 0.3087486 0.3860547), wk = 0.0023474 k( 409) = ( -0.3396226 0.3175700 0.3860547), wk = 0.0023474 k( 410) = ( -0.3490566 0.3263913 0.3860547), wk = 0.0023474 k( 411) = ( -0.3584906 0.3352127 0.3860547), wk = 0.0023474 k( 412) = ( -0.3679245 0.3440341 0.3860547), wk = 0.0023474 k( 413) = ( -0.3773585 0.3528555 0.3860547), wk = 0.0023474 k( 414) = ( -0.3867925 0.3616769 0.3860547), wk = 0.0023474 k( 415) = ( -0.3962264 0.3704983 0.3860547), wk = 0.0023474 k( 416) = ( -0.4056604 0.3793197 0.3860547), wk = 0.0023474 k( 417) = ( -0.4150943 0.3881411 0.3860547), wk = 0.0023474 k( 418) = ( -0.4245283 0.3969625 0.3860547), wk = 0.0023474 k( 419) = ( -0.4339623 0.4057838 0.3860547), wk = 0.0023474 k( 420) = ( -0.4433962 0.4146052 0.3860547), wk = 0.0023474 k( 421) = ( -0.4528302 0.4234266 0.3860547), wk = 0.0023474 k( 422) = ( -0.4622641 0.4322480 0.3860547), wk = 0.0023474 k( 423) = ( -0.4716981 0.4410694 0.3860547), wk = 0.0023474 k( 424) = ( -0.4811321 0.4498908 0.3860547), wk = 0.0023474 k( 425) = ( -0.4905660 0.4587122 0.3860547), wk = 0.0023474 k( 426) = ( -0.5000000 0.4675336 0.3860547), wk = 0.0023474 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023474 k( 2) = ( 0.0088413 0.0088413 0.0000000), wk = 0.0023474 k( 3) = ( 0.0176825 0.0176826 0.0000000), wk = 0.0023474 k( 4) = ( 0.0265238 0.0265238 0.0000000), wk = 0.0023474 k( 5) = ( 0.0353651 0.0353651 0.0000000), wk = 0.0023474 k( 6) = ( 0.0442064 0.0442064 0.0000000), wk = 0.0023474 k( 7) = ( 0.0530477 0.0530477 0.0000000), wk = 0.0023474 k( 8) = ( 0.0618889 0.0618889 0.0000000), wk = 0.0023474 k( 9) = ( 0.0707302 0.0707302 0.0000000), wk = 0.0023474 k( 10) = ( 0.0795715 0.0795715 0.0000000), wk = 0.0023474 k( 11) = ( 0.0884128 0.0884128 0.0000000), wk = 0.0023474 k( 12) = ( 0.0972540 0.0972540 0.0000000), wk = 0.0023474 k( 13) = ( 0.1060953 0.1060953 0.0000000), wk = 0.0023474 k( 14) = ( 0.1149366 0.1149366 0.0000000), wk = 0.0023474 k( 15) = ( 0.1237779 0.1237779 0.0000000), wk = 0.0023474 k( 16) = ( 0.1326191 0.1326191 0.0000000), wk = 0.0023474 k( 17) = ( 0.1414604 0.1414604 0.0000000), wk = 0.0023474 k( 18) = ( 0.1503017 0.1503017 0.0000000), wk = 0.0023474 k( 19) = ( 0.1591430 0.1591430 -0.0000000), wk = 0.0023474 k( 20) = ( 0.1679842 0.1679842 0.0000000), wk = 0.0023474 k( 21) = ( 0.1768255 0.1768255 0.0000000), wk = 0.0023474 k( 22) = ( 0.1856668 0.1856668 -0.0000000), wk = 0.0023474 k( 23) = ( 0.1945081 0.1945081 0.0000000), wk = 0.0023474 k( 24) = ( 0.2033494 0.2033494 0.0000000), wk = 0.0023474 k( 25) = ( 0.2121906 0.2121906 0.0000000), wk = 0.0023474 k( 26) = ( 0.2210319 0.2210319 -0.0000000), wk = 0.0023474 k( 27) = ( 0.2298732 0.2298732 0.0000000), wk = 0.0023474 k( 28) = ( 0.2387144 0.2387145 0.0000000), wk = 0.0023474 k( 29) = ( 0.2475557 0.2475557 0.0000000), wk = 0.0023474 k( 30) = ( 0.2563970 0.2563970 0.0000000), wk = 0.0023474 k( 31) = ( 0.2652383 0.2652383 0.0000000), wk = 0.0023474 k( 32) = ( 0.2740796 0.2740796 0.0000000), wk = 0.0023474 k( 33) = ( 0.2829208 0.2829208 0.0000000), wk = 0.0023474 k( 34) = ( 0.2917621 0.2917621 0.0000000), wk = 0.0023474 k( 35) = ( 0.3006034 0.3006034 0.0000000), wk = 0.0023474 k( 36) = ( 0.3094447 0.3094447 0.0000000), wk = 0.0023474 k( 37) = ( 0.3182859 0.3182859 -0.0000000), wk = 0.0023474 k( 38) = ( 0.3271272 0.3271272 0.0000000), wk = 0.0023474 k( 39) = ( 0.3359685 0.3359685 0.0000000), wk = 0.0023474 k( 40) = ( 0.3448098 0.3448098 0.0000000), wk = 0.0023474 k( 41) = ( 0.3536510 0.3536510 0.0000000), wk = 0.0023474 k( 42) = ( 0.3624923 0.3624923 0.0000000), wk = 0.0023474 k( 43) = ( 0.3713336 0.3713336 0.0000000), wk = 0.0023474 k( 44) = ( 0.3801749 0.3801749 0.0000000), wk = 0.0023474 k( 45) = ( 0.3890161 0.3890161 0.0000000), wk = 0.0023474 k( 46) = ( 0.3978574 0.3978574 0.0000000), wk = 0.0023474 k( 47) = ( 0.4066987 0.4066987 0.0000000), wk = 0.0023474 k( 48) = ( 0.4155400 0.4155400 0.0000000), wk = 0.0023474 k( 49) = ( 0.4243812 0.4243813 0.0000000), wk = 0.0023474 k( 50) = ( 0.4332225 0.4332225 0.0000000), wk = 0.0023474 k( 51) = ( 0.4420638 0.4420638 -0.0000000), wk = 0.0023474 k( 52) = ( 0.4509051 0.4509051 0.0000000), wk = 0.0023474 k( 53) = ( 0.4597464 0.4597464 0.0000000), wk = 0.0023474 k( 54) = ( 0.4685876 0.4685876 0.0000000), wk = 0.0023474 k( 55) = ( 0.4685876 0.4685876 0.0000000), wk = 0.0023474 k( 56) = ( 0.4559231 0.4694366 -0.0000000), wk = 0.0023474 k( 57) = ( 0.4432586 0.4702856 0.0000000), wk = 0.0023474 k( 58) = ( 0.4305940 0.4711346 0.0000000), wk = 0.0023474 k( 59) = ( 0.4179295 0.4719836 -0.0000000), wk = 0.0023474 k( 60) = ( 0.4052650 0.4728325 0.0000000), wk = 0.0023474 k( 61) = ( 0.3926004 0.4736815 0.0000000), wk = 0.0023474 k( 62) = ( 0.3799359 0.4745305 0.0000000), wk = 0.0023474 k( 63) = ( 0.3672714 0.4753795 0.0000000), wk = 0.0023474 k( 64) = ( 0.3546068 0.4762285 0.0000000), wk = 0.0023474 k( 65) = ( 0.3419423 0.4770775 0.0000000), wk = 0.0023474 k( 66) = ( 0.3292778 0.4779264 0.0000000), wk = 0.0023474 k( 67) = ( 0.3166133 0.4787754 0.0000000), wk = 0.0023474 k( 68) = ( 0.3039487 0.4796244 0.0000000), wk = 0.0023474 k( 69) = ( 0.2912842 0.4804734 0.0000000), wk = 0.0023474 k( 70) = ( 0.2786197 0.4813224 -0.0000000), wk = 0.0023474 k( 71) = ( 0.2659551 0.4821714 0.0000000), wk = 0.0023474 k( 72) = ( 0.2532906 0.4830203 -0.0000000), wk = 0.0023474 k( 73) = ( 0.2406261 0.4838693 0.0000000), wk = 0.0023474 k( 74) = ( 0.2279616 0.4847183 0.0000000), wk = 0.0023474 k( 75) = ( 0.2152970 0.4855673 0.0000000), wk = 0.0023474 k( 76) = ( 0.2026325 0.4864163 0.0000000), wk = 0.0023474 k( 77) = ( 0.1899680 0.4872653 0.0000000), wk = 0.0023474 k( 78) = ( 0.1773034 0.4881142 0.0000000), wk = 0.0023474 k( 79) = ( 0.1646389 0.4889632 0.0000000), wk = 0.0023474 k( 80) = ( 0.1519744 0.4898122 0.0000000), wk = 0.0023474 k( 81) = ( 0.1393098 0.4906612 0.0000000), wk = 0.0023474 k( 82) = ( 0.1266453 0.4915102 0.0000000), wk = 0.0023474 k( 83) = ( 0.1139808 0.4923592 0.0000000), wk = 0.0023474 k( 84) = ( 0.1013162 0.4932081 0.0000000), wk = 0.0023474 k( 85) = ( 0.0886517 0.4940571 0.0000000), wk = 0.0023474 k( 86) = ( 0.0759872 0.4949061 0.0000000), wk = 0.0023474 k( 87) = ( 0.0633226 0.4957551 0.0000000), wk = 0.0023474 k( 88) = ( 0.0506581 0.4966041 0.0000000), wk = 0.0023474 k( 89) = ( 0.0379936 0.4974531 -0.0000000), wk = 0.0023474 k( 90) = ( 0.0253291 0.4983020 0.0000000), wk = 0.0023474 k( 91) = ( 0.0126645 0.4991510 0.0000000), wk = 0.0023474 k( 92) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0023474 k( 93) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0023474 k( 94) = ( 0.0000000 0.5000000 0.0166667), wk = 0.0023474 k( 95) = ( 0.0000000 0.5000000 0.0333333), wk = 0.0023474 k( 96) = ( 0.0000000 0.5000000 0.0500000), wk = 0.0023474 k( 97) = ( 0.0000000 0.5000000 0.0666667), wk = 0.0023474 k( 98) = ( 0.0000000 0.5000000 0.0833333), wk = 0.0023474 k( 99) = ( 0.0000000 0.5000000 0.1000000), wk = 0.0023474 k( 100) = ( 0.0000000 0.5000000 0.1166667), wk = 0.0023474 k( 101) = ( 0.0000000 0.5000000 0.1333333), wk = 0.0023474 k( 102) = ( 0.0000000 0.5000000 0.1500000), wk = 0.0023474 k( 103) = ( 0.0000000 0.5000000 0.1666667), wk = 0.0023474 k( 104) = ( 0.0000000 0.5000000 0.1833333), wk = 0.0023474 k( 105) = ( 0.0000000 0.5000000 0.2000000), wk = 0.0023474 k( 106) = ( 0.0000000 0.5000000 0.2166667), wk = 0.0023474 k( 107) = ( 0.0000000 0.5000000 0.2333333), wk = 0.0023474 k( 108) = ( 0.0000000 0.5000000 0.2500000), wk = 0.0023474 k( 109) = ( 0.0000000 0.5000000 0.2666667), wk = 0.0023474 k( 110) = ( 0.0000000 0.5000000 0.2833333), wk = 0.0023474 k( 111) = ( 0.0000000 0.5000000 0.3000000), wk = 0.0023474 k( 112) = ( 0.0000000 0.5000000 0.3166667), wk = 0.0023474 k( 113) = ( 0.0000000 0.5000000 0.3333333), wk = 0.0023474 k( 114) = ( 0.0000000 0.5000000 0.3500000), wk = 0.0023474 k( 115) = ( 0.0000000 0.5000000 0.3666667), wk = 0.0023474 k( 116) = ( 0.0000000 0.5000000 0.3833333), wk = 0.0023474 k( 117) = ( 0.0000000 0.5000000 0.4000000), wk = 0.0023474 k( 118) = ( 0.0000000 0.5000000 0.4166667), wk = 0.0023474 k( 119) = ( 0.0000000 0.5000000 0.4333333), wk = 0.0023474 k( 120) = ( 0.0000000 0.5000000 0.4500000), wk = 0.0023474 k( 121) = ( 0.0000000 0.5000000 0.4666667), wk = 0.0023474 k( 122) = ( 0.0000000 0.5000000 0.4833333), wk = 0.0023474 k( 123) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0023474 k( 124) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0023474 k( 125) = ( 0.0126645 0.4991510 0.5000000), wk = 0.0023474 k( 126) = ( 0.0253291 0.4983020 0.5000000), wk = 0.0023474 k( 127) = ( 0.0379936 0.4974531 0.5000000), wk = 0.0023474 k( 128) = ( 0.0506581 0.4966041 0.5000000), wk = 0.0023474 k( 129) = ( 0.0633226 0.4957551 0.5000000), wk = 0.0023474 k( 130) = ( 0.0759872 0.4949061 0.5000000), wk = 0.0023474 k( 131) = ( 0.0886517 0.4940571 0.5000000), wk = 0.0023474 k( 132) = ( 0.1013162 0.4932081 0.5000000), wk = 0.0023474 k( 133) = ( 0.1139808 0.4923592 0.5000000), wk = 0.0023474 k( 134) = ( 0.1266453 0.4915102 0.5000000), wk = 0.0023474 k( 135) = ( 0.1393098 0.4906612 0.5000000), wk = 0.0023474 k( 136) = ( 0.1519744 0.4898122 0.5000000), wk = 0.0023474 k( 137) = ( 0.1646389 0.4889632 0.5000000), wk = 0.0023474 k( 138) = ( 0.1773034 0.4881142 0.5000000), wk = 0.0023474 k( 139) = ( 0.1899680 0.4872653 0.5000000), wk = 0.0023474 k( 140) = ( 0.2026325 0.4864163 0.5000000), wk = 0.0023474 k( 141) = ( 0.2152970 0.4855673 0.5000000), wk = 0.0023474 k( 142) = ( 0.2279616 0.4847183 0.5000000), wk = 0.0023474 k( 143) = ( 0.2406261 0.4838693 0.5000000), wk = 0.0023474 k( 144) = ( 0.2532906 0.4830203 0.5000000), wk = 0.0023474 k( 145) = ( 0.2659551 0.4821714 0.5000000), wk = 0.0023474 k( 146) = ( 0.2786197 0.4813224 0.5000000), wk = 0.0023474 k( 147) = ( 0.2912842 0.4804734 0.5000000), wk = 0.0023474 k( 148) = ( 0.3039487 0.4796244 0.5000000), wk = 0.0023474 k( 149) = ( 0.3166133 0.4787754 0.5000000), wk = 0.0023474 k( 150) = ( 0.3292778 0.4779264 0.5000000), wk = 0.0023474 k( 151) = ( 0.3419423 0.4770775 0.5000000), wk = 0.0023474 k( 152) = ( 0.3546068 0.4762285 0.5000000), wk = 0.0023474 k( 153) = ( 0.3672714 0.4753795 0.5000000), wk = 0.0023474 k( 154) = ( 0.3799359 0.4745305 0.5000000), wk = 0.0023474 k( 155) = ( 0.3926004 0.4736815 0.5000000), wk = 0.0023474 k( 156) = ( 0.4052650 0.4728325 0.5000000), wk = 0.0023474 k( 157) = ( 0.4179295 0.4719836 0.5000000), wk = 0.0023474 k( 158) = ( 0.4305940 0.4711346 0.5000000), wk = 0.0023474 k( 159) = ( 0.4432586 0.4702856 0.5000000), wk = 0.0023474 k( 160) = ( 0.4559231 0.4694366 0.5000000), wk = 0.0023474 k( 161) = ( 0.4685876 0.4685876 0.5000000), wk = 0.0023474 k( 162) = ( 0.4685876 0.4685876 0.5000000), wk = 0.0023474 k( 163) = ( 0.4597464 0.4597464 0.5000000), wk = 0.0023474 k( 164) = ( 0.4509051 0.4509051 0.5000000), wk = 0.0023474 k( 165) = ( 0.4420638 0.4420638 0.5000000), wk = 0.0023474 k( 166) = ( 0.4332225 0.4332225 0.5000000), wk = 0.0023474 k( 167) = ( 0.4243812 0.4243813 0.5000000), wk = 0.0023474 k( 168) = ( 0.4155400 0.4155400 0.5000000), wk = 0.0023474 k( 169) = ( 0.4066987 0.4066987 0.5000000), wk = 0.0023474 k( 170) = ( 0.3978574 0.3978574 0.5000000), wk = 0.0023474 k( 171) = ( 0.3890161 0.3890161 0.5000000), wk = 0.0023474 k( 172) = ( 0.3801749 0.3801749 0.5000000), wk = 0.0023474 k( 173) = ( 0.3713336 0.3713336 0.5000000), wk = 0.0023474 k( 174) = ( 0.3624923 0.3624923 0.5000000), wk = 0.0023474 k( 175) = ( 0.3536510 0.3536510 0.5000000), wk = 0.0023474 k( 176) = ( 0.3448098 0.3448098 0.5000000), wk = 0.0023474 k( 177) = ( 0.3359685 0.3359685 0.5000000), wk = 0.0023474 k( 178) = ( 0.3271272 0.3271272 0.5000000), wk = 0.0023474 k( 179) = ( 0.3182859 0.3182859 0.5000000), wk = 0.0023474 k( 180) = ( 0.3094447 0.3094447 0.5000000), wk = 0.0023474 k( 181) = ( 0.3006034 0.3006034 0.5000000), wk = 0.0023474 k( 182) = ( 0.2917621 0.2917621 0.5000000), wk = 0.0023474 k( 183) = ( 0.2829208 0.2829208 0.5000000), wk = 0.0023474 k( 184) = ( 0.2740796 0.2740796 0.5000000), wk = 0.0023474 k( 185) = ( 0.2652383 0.2652383 0.5000000), wk = 0.0023474 k( 186) = ( 0.2563970 0.2563970 0.5000000), wk = 0.0023474 k( 187) = ( 0.2475557 0.2475557 0.5000000), wk = 0.0023474 k( 188) = ( 0.2387144 0.2387145 0.5000000), wk = 0.0023474 k( 189) = ( 0.2298732 0.2298732 0.5000000), wk = 0.0023474 k( 190) = ( 0.2210319 0.2210319 0.5000000), wk = 0.0023474 k( 191) = ( 0.2121906 0.2121906 0.5000000), wk = 0.0023474 k( 192) = ( 0.2033494 0.2033494 0.5000000), wk = 0.0023474 k( 193) = ( 0.1945081 0.1945081 0.5000000), wk = 0.0023474 k( 194) = ( 0.1856668 0.1856668 0.5000000), wk = 0.0023474 k( 195) = ( 0.1768255 0.1768255 0.5000000), wk = 0.0023474 k( 196) = ( 0.1679842 0.1679842 0.5000000), wk = 0.0023474 k( 197) = ( 0.1591430 0.1591430 0.5000000), wk = 0.0023474 k( 198) = ( 0.1503017 0.1503017 0.5000000), wk = 0.0023474 k( 199) = ( 0.1414604 0.1414604 0.5000000), wk = 0.0023474 k( 200) = ( 0.1326191 0.1326191 0.5000000), wk = 0.0023474 k( 201) = ( 0.1237779 0.1237779 0.5000000), wk = 0.0023474 k( 202) = ( 0.1149366 0.1149366 0.5000000), wk = 0.0023474 k( 203) = ( 0.1060953 0.1060953 0.5000000), wk = 0.0023474 k( 204) = ( 0.0972540 0.0972540 0.5000000), wk = 0.0023474 k( 205) = ( 0.0884128 0.0884128 0.5000000), wk = 0.0023474 k( 206) = ( 0.0795715 0.0795715 0.5000000), wk = 0.0023474 k( 207) = ( 0.0707302 0.0707302 0.5000000), wk = 0.0023474 k( 208) = ( 0.0618889 0.0618889 0.5000000), wk = 0.0023474 k( 209) = ( 0.0530477 0.0530477 0.5000000), wk = 0.0023474 k( 210) = ( 0.0442064 0.0442064 0.5000000), wk = 0.0023474 k( 211) = ( 0.0353651 0.0353651 0.5000000), wk = 0.0023474 k( 212) = ( 0.0265238 0.0265238 0.5000000), wk = 0.0023474 k( 213) = ( 0.0176825 0.0176826 0.5000000), wk = 0.0023474 k( 214) = ( 0.0088413 0.0088413 0.5000000), wk = 0.0023474 k( 215) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0023474 k( 216) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0023474 k( 217) = ( 0.0000000 0.0000000 0.4833333), wk = 0.0023474 k( 218) = ( 0.0000000 0.0000000 0.4666667), wk = 0.0023474 k( 219) = ( 0.0000000 0.0000000 0.4500000), wk = 0.0023474 k( 220) = ( 0.0000000 0.0000000 0.4333333), wk = 0.0023474 k( 221) = ( 0.0000000 0.0000000 0.4166667), wk = 0.0023474 k( 222) = ( 0.0000000 0.0000000 0.4000000), wk = 0.0023474 k( 223) = ( 0.0000000 0.0000000 0.3833333), wk = 0.0023474 k( 224) = ( 0.0000000 0.0000000 0.3666667), wk = 0.0023474 k( 225) = ( 0.0000000 0.0000000 0.3500000), wk = 0.0023474 k( 226) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0023474 k( 227) = ( 0.0000000 0.0000000 0.3166667), wk = 0.0023474 k( 228) = ( 0.0000000 0.0000000 0.3000000), wk = 0.0023474 k( 229) = ( 0.0000000 0.0000000 0.2833333), wk = 0.0023474 k( 230) = ( 0.0000000 0.0000000 0.2666667), wk = 0.0023474 k( 231) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0023474 k( 232) = ( 0.0000000 0.0000000 0.2333333), wk = 0.0023474 k( 233) = ( 0.0000000 0.0000000 0.2166667), wk = 0.0023474 k( 234) = ( 0.0000000 0.0000000 0.2000000), wk = 0.0023474 k( 235) = ( 0.0000000 0.0000000 0.1833333), wk = 0.0023474 k( 236) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0023474 k( 237) = ( 0.0000000 0.0000000 0.1500000), wk = 0.0023474 k( 238) = ( 0.0000000 0.0000000 0.1333333), wk = 0.0023474 k( 239) = ( 0.0000000 0.0000000 0.1166667), wk = 0.0023474 k( 240) = ( 0.0000000 0.0000000 0.1000000), wk = 0.0023474 k( 241) = ( 0.0000000 0.0000000 0.0833333), wk = 0.0023474 k( 242) = ( 0.0000000 0.0000000 0.0666667), wk = 0.0023474 k( 243) = ( 0.0000000 0.0000000 0.0500000), wk = 0.0023474 k( 244) = ( 0.0000000 0.0000000 0.0333333), wk = 0.0023474 k( 245) = ( 0.0000000 0.0000000 0.0166667), wk = 0.0023474 k( 246) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023474 k( 247) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023474 k( 248) = ( -0.0094340 0.0094340 0.0000000), wk = 0.0023474 k( 249) = ( -0.0188679 0.0188679 0.0000000), wk = 0.0023474 k( 250) = ( -0.0283019 0.0283019 -0.0000000), wk = 0.0023474 k( 251) = ( -0.0377359 0.0377359 -0.0000000), wk = 0.0023474 k( 252) = ( -0.0471698 0.0471698 -0.0000000), wk = 0.0023474 k( 253) = ( -0.0566038 0.0566038 -0.0000000), wk = 0.0023474 k( 254) = ( -0.0660377 0.0660377 -0.0000000), wk = 0.0023474 k( 255) = ( -0.0754717 0.0754717 -0.0000000), wk = 0.0023474 k( 256) = ( -0.0849057 0.0849057 -0.0000000), wk = 0.0023474 k( 257) = ( -0.0943396 0.0943396 -0.0000000), wk = 0.0023474 k( 258) = ( -0.1037736 0.1037736 0.0000000), wk = 0.0023474 k( 259) = ( -0.1132076 0.1132076 0.0000000), wk = 0.0023474 k( 260) = ( -0.1226415 0.1226415 -0.0000000), wk = 0.0023474 k( 261) = ( -0.1320755 0.1320755 -0.0000000), wk = 0.0023474 k( 262) = ( -0.1415094 0.1415094 0.0000000), wk = 0.0023474 k( 263) = ( -0.1509434 0.1509434 -0.0000000), wk = 0.0023474 k( 264) = ( -0.1603774 0.1603774 -0.0000000), wk = 0.0023474 k( 265) = ( -0.1698113 0.1698113 -0.0000000), wk = 0.0023474 k( 266) = ( -0.1792453 0.1792453 0.0000000), wk = 0.0023474 k( 267) = ( -0.1886792 0.1886793 0.0000000), wk = 0.0023474 k( 268) = ( -0.1981132 0.1981132 -0.0000000), wk = 0.0023474 k( 269) = ( -0.2075472 0.2075472 -0.0000000), wk = 0.0023474 k( 270) = ( -0.2169811 0.2169811 -0.0000000), wk = 0.0023474 k( 271) = ( -0.2264151 0.2264151 -0.0000000), wk = 0.0023474 k( 272) = ( -0.2358491 0.2358491 -0.0000000), wk = 0.0023474 k( 273) = ( -0.2452830 0.2452830 -0.0000000), wk = 0.0023474 k( 274) = ( -0.2547170 0.2547170 -0.0000000), wk = 0.0023474 k( 275) = ( -0.2641509 0.2641509 -0.0000000), wk = 0.0023474 k( 276) = ( -0.2735849 0.2735849 -0.0000000), wk = 0.0023474 k( 277) = ( -0.2830189 0.2830189 -0.0000000), wk = 0.0023474 k( 278) = ( -0.2924528 0.2924528 -0.0000000), wk = 0.0023474 k( 279) = ( -0.3018868 0.3018868 -0.0000000), wk = 0.0023474 k( 280) = ( -0.3113207 0.3113208 0.0000000), wk = 0.0023474 k( 281) = ( -0.3207547 0.3207547 -0.0000000), wk = 0.0023474 k( 282) = ( -0.3301887 0.3301887 -0.0000000), wk = 0.0023474 k( 283) = ( -0.3396226 0.3396226 -0.0000000), wk = 0.0023474 k( 284) = ( -0.3490566 0.3490566 -0.0000000), wk = 0.0023474 k( 285) = ( -0.3584906 0.3584906 -0.0000000), wk = 0.0023474 k( 286) = ( -0.3679245 0.3679245 -0.0000000), wk = 0.0023474 k( 287) = ( -0.3773585 0.3773585 -0.0000000), wk = 0.0023474 k( 288) = ( -0.3867925 0.3867925 -0.0000000), wk = 0.0023474 k( 289) = ( -0.3962264 0.3962264 -0.0000000), wk = 0.0023474 k( 290) = ( -0.4056604 0.4056604 -0.0000000), wk = 0.0023474 k( 291) = ( -0.4150943 0.4150943 -0.0000000), wk = 0.0023474 k( 292) = ( -0.4245283 0.4245283 0.0000000), wk = 0.0023474 k( 293) = ( -0.4339623 0.4339623 -0.0000000), wk = 0.0023474 k( 294) = ( -0.4433962 0.4433962 -0.0000000), wk = 0.0023474 k( 295) = ( -0.4528302 0.4528302 -0.0000000), wk = 0.0023474 k( 296) = ( -0.4622641 0.4622642 -0.0000000), wk = 0.0023474 k( 297) = ( -0.4716981 0.4716981 0.0000000), wk = 0.0023474 k( 298) = ( -0.4811321 0.4811321 -0.0000000), wk = 0.0023474 k( 299) = ( -0.4905660 0.4905660 -0.0000000), wk = 0.0023474 k( 300) = ( -0.5000000 0.5000000 -0.0000000), wk = 0.0023474 k( 301) = ( -0.5000000 0.5000000 -0.0000000), wk = 0.0023474 k( 302) = ( -0.4921469 0.5078531 0.0000000), wk = 0.0023474 k( 303) = ( -0.4842938 0.5157062 -0.0000000), wk = 0.0023474 k( 304) = ( -0.4764407 0.5235593 -0.0000000), wk = 0.0023474 k( 305) = ( -0.4685876 0.5314124 0.0000000), wk = 0.0023474 k( 306) = ( -0.4685876 0.5314124 0.0000000), wk = 0.0023474 k( 307) = ( -0.4685876 0.5314124 0.0166667), wk = 0.0023474 k( 308) = ( -0.4685876 0.5314124 0.0333333), wk = 0.0023474 k( 309) = ( -0.4685876 0.5314124 0.0500000), wk = 0.0023474 k( 310) = ( -0.4685876 0.5314124 0.0666667), wk = 0.0023474 k( 311) = ( -0.4685876 0.5314124 0.0833333), wk = 0.0023474 k( 312) = ( -0.4685876 0.5314124 0.1000000), wk = 0.0023474 k( 313) = ( -0.4685876 0.5314124 0.1166667), wk = 0.0023474 k( 314) = ( -0.4685876 0.5314124 0.1333333), wk = 0.0023474 k( 315) = ( -0.4685876 0.5314124 0.1500000), wk = 0.0023474 k( 316) = ( -0.4685876 0.5314124 0.1666667), wk = 0.0023474 k( 317) = ( -0.4685876 0.5314124 0.1833333), wk = 0.0023474 k( 318) = ( -0.4685876 0.5314124 0.2000000), wk = 0.0023474 k( 319) = ( -0.4685876 0.5314124 0.2166667), wk = 0.0023474 k( 320) = ( -0.4685876 0.5314124 0.2333333), wk = 0.0023474 k( 321) = ( -0.4685876 0.5314124 0.2500000), wk = 0.0023474 k( 322) = ( -0.4685876 0.5314124 0.2666667), wk = 0.0023474 k( 323) = ( -0.4685876 0.5314124 0.2833333), wk = 0.0023474 k( 324) = ( -0.4685876 0.5314124 0.3000000), wk = 0.0023474 k( 325) = ( -0.4685876 0.5314124 0.3166667), wk = 0.0023474 k( 326) = ( -0.4685876 0.5314124 0.3333333), wk = 0.0023474 k( 327) = ( -0.4685876 0.5314124 0.3500000), wk = 0.0023474 k( 328) = ( -0.4685876 0.5314124 0.3666667), wk = 0.0023474 k( 329) = ( -0.4685876 0.5314124 0.3833333), wk = 0.0023474 k( 330) = ( -0.4685876 0.5314124 0.4000000), wk = 0.0023474 k( 331) = ( -0.4685876 0.5314124 0.4166667), wk = 0.0023474 k( 332) = ( -0.4685876 0.5314124 0.4333333), wk = 0.0023474 k( 333) = ( -0.4685876 0.5314124 0.4500000), wk = 0.0023474 k( 334) = ( -0.4685876 0.5314124 0.4666667), wk = 0.0023474 k( 335) = ( -0.4685876 0.5314124 0.4833333), wk = 0.0023474 k( 336) = ( -0.4685876 0.5314124 0.5000000), wk = 0.0023474 k( 337) = ( -0.4685876 0.5314124 0.5000000), wk = 0.0023474 k( 338) = ( -0.4764407 0.5235593 0.5000000), wk = 0.0023474 k( 339) = ( -0.4842938 0.5157062 0.5000000), wk = 0.0023474 k( 340) = ( -0.4921469 0.5078531 0.5000000), wk = 0.0023474 k( 341) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0023474 k( 342) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0023474 k( 343) = ( -0.5000000 0.5000000 0.4833333), wk = 0.0023474 k( 344) = ( -0.5000000 0.5000000 0.4666667), wk = 0.0023474 k( 345) = ( -0.5000000 0.5000000 0.4500000), wk = 0.0023474 k( 346) = ( -0.5000000 0.5000000 0.4333333), wk = 0.0023474 k( 347) = ( -0.5000000 0.5000000 0.4166667), wk = 0.0023474 k( 348) = ( -0.5000000 0.5000000 0.4000000), wk = 0.0023474 k( 349) = ( -0.5000000 0.5000000 0.3833333), wk = 0.0023474 k( 350) = ( -0.5000000 0.5000000 0.3666667), wk = 0.0023474 k( 351) = ( -0.5000000 0.5000000 0.3500000), wk = 0.0023474 k( 352) = ( -0.5000000 0.5000000 0.3333333), wk = 0.0023474 k( 353) = ( -0.5000000 0.5000000 0.3166667), wk = 0.0023474 k( 354) = ( -0.5000000 0.5000000 0.3000000), wk = 0.0023474 k( 355) = ( -0.5000000 0.5000000 0.2833333), wk = 0.0023474 k( 356) = ( -0.5000000 0.5000000 0.2666667), wk = 0.0023474 k( 357) = ( -0.5000000 0.5000000 0.2500000), wk = 0.0023474 k( 358) = ( -0.5000000 0.5000000 0.2333333), wk = 0.0023474 k( 359) = ( -0.5000000 0.5000000 0.2166667), wk = 0.0023474 k( 360) = ( -0.5000000 0.5000000 0.2000000), wk = 0.0023474 k( 361) = ( -0.5000000 0.5000000 0.1833333), wk = 0.0023474 k( 362) = ( -0.5000000 0.5000000 0.1666667), wk = 0.0023474 k( 363) = ( -0.5000000 0.5000000 0.1500000), wk = 0.0023474 k( 364) = ( -0.5000000 0.5000000 0.1333333), wk = 0.0023474 k( 365) = ( -0.5000000 0.5000000 0.1166667), wk = 0.0023474 k( 366) = ( -0.5000000 0.5000000 0.1000000), wk = 0.0023474 k( 367) = ( -0.5000000 0.5000000 0.0833333), wk = 0.0023474 k( 368) = ( -0.5000000 0.5000000 0.0666667), wk = 0.0023474 k( 369) = ( -0.5000000 0.5000000 0.0500000), wk = 0.0023474 k( 370) = ( -0.5000000 0.5000000 0.0333333), wk = 0.0023474 k( 371) = ( -0.5000000 0.5000000 0.0166667), wk = 0.0023474 k( 372) = ( -0.5000000 0.5000000 -0.0000000), wk = 0.0023474 k( 373) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0023474 k( 374) = ( -0.0094340 0.0094340 0.5000000), wk = 0.0023474 k( 375) = ( -0.0188679 0.0188679 0.5000000), wk = 0.0023474 k( 376) = ( -0.0283019 0.0283019 0.5000000), wk = 0.0023474 k( 377) = ( -0.0377359 0.0377359 0.5000000), wk = 0.0023474 k( 378) = ( -0.0471698 0.0471698 0.5000000), wk = 0.0023474 k( 379) = ( -0.0566038 0.0566038 0.5000000), wk = 0.0023474 k( 380) = ( -0.0660377 0.0660377 0.5000000), wk = 0.0023474 k( 381) = ( -0.0754717 0.0754717 0.5000000), wk = 0.0023474 k( 382) = ( -0.0849057 0.0849057 0.5000000), wk = 0.0023474 k( 383) = ( -0.0943396 0.0943396 0.5000000), wk = 0.0023474 k( 384) = ( -0.1037736 0.1037736 0.5000000), wk = 0.0023474 k( 385) = ( -0.1132076 0.1132076 0.5000000), wk = 0.0023474 k( 386) = ( -0.1226415 0.1226415 0.5000000), wk = 0.0023474 k( 387) = ( -0.1320755 0.1320755 0.5000000), wk = 0.0023474 k( 388) = ( -0.1415094 0.1415094 0.5000000), wk = 0.0023474 k( 389) = ( -0.1509434 0.1509434 0.5000000), wk = 0.0023474 k( 390) = ( -0.1603774 0.1603774 0.5000000), wk = 0.0023474 k( 391) = ( -0.1698113 0.1698113 0.5000000), wk = 0.0023474 k( 392) = ( -0.1792453 0.1792453 0.5000000), wk = 0.0023474 k( 393) = ( -0.1886792 0.1886793 0.5000000), wk = 0.0023474 k( 394) = ( -0.1981132 0.1981132 0.5000000), wk = 0.0023474 k( 395) = ( -0.2075472 0.2075472 0.5000000), wk = 0.0023474 k( 396) = ( -0.2169811 0.2169811 0.5000000), wk = 0.0023474 k( 397) = ( -0.2264151 0.2264151 0.5000000), wk = 0.0023474 k( 398) = ( -0.2358491 0.2358491 0.5000000), wk = 0.0023474 k( 399) = ( -0.2452830 0.2452830 0.5000000), wk = 0.0023474 k( 400) = ( -0.2547170 0.2547170 0.5000000), wk = 0.0023474 k( 401) = ( -0.2641509 0.2641509 0.5000000), wk = 0.0023474 k( 402) = ( -0.2735849 0.2735849 0.5000000), wk = 0.0023474 k( 403) = ( -0.2830189 0.2830189 0.5000000), wk = 0.0023474 k( 404) = ( -0.2924528 0.2924528 0.5000000), wk = 0.0023474 k( 405) = ( -0.3018868 0.3018868 0.5000000), wk = 0.0023474 k( 406) = ( -0.3113207 0.3113208 0.5000000), wk = 0.0023474 k( 407) = ( -0.3207547 0.3207547 0.5000000), wk = 0.0023474 k( 408) = ( -0.3301887 0.3301887 0.5000000), wk = 0.0023474 k( 409) = ( -0.3396226 0.3396226 0.5000000), wk = 0.0023474 k( 410) = ( -0.3490566 0.3490566 0.5000000), wk = 0.0023474 k( 411) = ( -0.3584906 0.3584906 0.5000000), wk = 0.0023474 k( 412) = ( -0.3679245 0.3679245 0.5000000), wk = 0.0023474 k( 413) = ( -0.3773585 0.3773585 0.5000000), wk = 0.0023474 k( 414) = ( -0.3867925 0.3867925 0.5000000), wk = 0.0023474 k( 415) = ( -0.3962264 0.3962264 0.5000000), wk = 0.0023474 k( 416) = ( -0.4056604 0.4056604 0.5000000), wk = 0.0023474 k( 417) = ( -0.4150943 0.4150943 0.5000000), wk = 0.0023474 k( 418) = ( -0.4245283 0.4245283 0.5000000), wk = 0.0023474 k( 419) = ( -0.4339623 0.4339623 0.5000000), wk = 0.0023474 k( 420) = ( -0.4433962 0.4433962 0.5000000), wk = 0.0023474 k( 421) = ( -0.4528302 0.4528302 0.5000000), wk = 0.0023474 k( 422) = ( -0.4622641 0.4622642 0.5000000), wk = 0.0023474 k( 423) = ( -0.4716981 0.4716981 0.5000000), wk = 0.0023474 k( 424) = ( -0.4811321 0.4811321 0.5000000), wk = 0.0023474 k( 425) = ( -0.4905660 0.4905660 0.5000000), wk = 0.0023474 k( 426) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0023474 Dense grid: 161431 G-vectors FFT dimensions: ( 64, 64, 81) Smooth grid: 18701 G-vectors FFT dimensions: ( 32, 32, 40) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.09 Mb ( 136, 44) NL pseudopotentials 0.14 Mb ( 68, 136) Each V/rho on FFT grid 0.19 Mb ( 12288) Each G-vector array 0.03 Mb ( 4486) G-vector shells 0.02 Mb ( 2266) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.37 Mb ( 136, 176) Each subspace H/S matrix 0.03 Mb ( 44, 44) Each matrix 0.18 Mb ( 136, 2, 44) The potential is recalculated from file : ./CdTe.save/charge-density.dat Starting wfc are 52 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.5 secs Computing kpt #: 2 total cpu time spent up to now is 3.9 secs Computing kpt #: 3 total cpu time spent up to now is 4.2 secs Computing kpt #: 4 total cpu time spent up to now is 4.5 secs Computing kpt #: 5 total cpu time spent up to now is 4.8 secs Computing kpt #: 6 total cpu time spent up to now is 5.1 secs Computing kpt #: 7 total cpu time spent up to now is 5.4 secs Computing kpt #: 8 total cpu time spent up to now is 5.7 secs Computing kpt #: 9 total cpu time spent up to now is 6.0 secs Computing kpt #: 10 total cpu time spent up to now is 6.3 secs Computing kpt #: 11 total cpu time spent up to now is 6.6 secs Computing kpt #: 12 total cpu time spent up to now is 6.8 secs Computing kpt #: 13 total cpu time spent up to now is 7.1 secs Computing kpt #: 14 total cpu time spent up to now is 7.4 secs Computing kpt #: 15 total cpu time spent up to now is 7.7 secs Computing kpt #: 16 total cpu time spent up to now is 8.0 secs Computing kpt #: 17 total cpu time spent up to now is 8.3 secs Computing kpt #: 18 total cpu time spent up to now is 8.6 secs Computing kpt #: 19 total cpu time spent up to now is 8.9 secs Computing kpt #: 20 total cpu time spent up to now is 9.2 secs Computing kpt #: 21 total cpu time spent up to now is 9.5 secs Computing kpt #: 22 total cpu time spent up to now is 9.8 secs Computing kpt #: 23 total cpu time spent up to now is 10.1 secs Computing kpt #: 24 total cpu time spent up to now is 10.4 secs Computing kpt #: 25 total cpu time spent up to now is 10.8 secs Computing kpt #: 26 total cpu time spent up to now is 11.1 secs Computing kpt #: 27 total cpu time spent up to now is 11.5 secs Computing kpt #: 28 total cpu time spent up to now is 11.8 secs Computing kpt #: 29 total cpu time spent up to now is 12.2 secs Computing kpt #: 30 total cpu time spent up to now is 12.5 secs Computing kpt #: 31 total cpu time spent up to now is 12.8 secs Computing kpt #: 32 total cpu time spent up to now is 13.2 secs Computing kpt #: 33 total cpu time spent up to now is 13.5 secs Computing kpt #: 34 total cpu time spent up to now is 13.8 secs Computing kpt #: 35 total cpu time spent up to now is 14.1 secs Computing kpt #: 36 total cpu time spent up to now is 14.5 secs Computing kpt #: 37 total cpu time spent up to now is 14.9 secs Computing kpt #: 38 total cpu time spent up to now is 15.2 secs Computing kpt #: 39 total cpu time spent up to now is 15.5 secs Computing kpt #: 40 total cpu time spent up to now is 15.9 secs Computing kpt #: 41 total cpu time spent up to now is 16.2 secs Computing kpt #: 42 total cpu time spent up to now is 16.5 secs Computing kpt #: 43 total cpu time spent up to now is 16.8 secs Computing kpt #: 44 total cpu time spent up to now is 17.1 secs Computing kpt #: 45 total cpu time spent up to now is 17.3 secs Computing kpt #: 46 total cpu time spent up to now is 17.6 secs Computing kpt #: 47 total cpu time spent up to now is 17.9 secs Computing kpt #: 48 total cpu time spent up to now is 18.2 secs Computing kpt #: 49 total cpu time spent up to now is 18.4 secs Computing kpt #: 50 total cpu time spent up to now is 18.7 secs Computing kpt #: 51 total cpu time spent up to now is 19.0 secs Computing kpt #: 52 total cpu time spent up to now is 19.2 secs Computing kpt #: 53 total cpu time spent up to now is 19.5 secs Computing kpt #: 54 total cpu time spent up to now is 19.8 secs Computing kpt #: 55 total cpu time spent up to now is 20.0 secs Computing kpt #: 56 total cpu time spent up to now is 20.3 secs Computing kpt #: 57 total cpu time spent up to now is 20.6 secs Computing kpt #: 58 total cpu time spent up to now is 20.8 secs Computing kpt #: 59 total cpu time spent up to now is 21.1 secs Computing kpt #: 60 total cpu time spent up to now is 21.4 secs Computing kpt #: 61 total cpu time spent up to now is 21.7 secs Computing kpt #: 62 total cpu time spent up to now is 21.9 secs Computing kpt #: 63 total cpu time spent up to now is 22.2 secs Computing kpt #: 64 total cpu time spent up to now is 22.5 secs Computing kpt #: 65 total cpu time spent up to now is 22.8 secs Computing kpt #: 66 total cpu time spent up to now is 23.1 secs Computing kpt #: 67 total cpu time spent up to now is 23.4 secs Computing kpt #: 68 total cpu time spent up to now is 23.7 secs Computing kpt #: 69 total cpu time spent up to now is 24.0 secs Computing kpt #: 70 total cpu time spent up to now is 24.3 secs Computing kpt #: 71 total cpu time spent up to now is 24.7 secs Computing kpt #: 72 total cpu time spent up to now is 25.0 secs Computing kpt #: 73 total cpu time spent up to now is 25.3 secs Computing kpt #: 74 total cpu time spent up to now is 25.6 secs Computing kpt #: 75 total cpu time spent up to now is 25.9 secs Computing kpt #: 76 total cpu time spent up to now is 26.2 secs Computing kpt #: 77 total cpu time spent up to now is 26.5 secs Computing kpt #: 78 total cpu time spent up to now is 26.8 secs Computing kpt #: 79 total cpu time spent up to now is 27.1 secs Computing kpt #: 80 total cpu time spent up to now is 27.4 secs Computing kpt #: 81 total cpu time spent up to now is 27.7 secs Computing kpt #: 82 total cpu time spent up to now is 28.0 secs Computing kpt #: 83 total cpu time spent up to now is 28.3 secs Computing kpt #: 84 total cpu time spent up to now is 28.8 secs Computing kpt #: 85 total cpu time spent up to now is 29.3 secs Computing kpt #: 86 total cpu time spent up to now is 29.8 secs Computing kpt #: 87 total cpu time spent up to now is 30.3 secs Computing kpt #: 88 total cpu time spent up to now is 30.8 secs Computing kpt #: 89 total cpu time spent up to now is 31.3 secs Computing kpt #: 90 total cpu time spent up to now is 31.8 secs Computing kpt #: 91 total cpu time spent up to now is 32.2 secs Computing kpt #: 92 total cpu time spent up to now is 32.7 secs Computing kpt #: 93 total cpu time spent up to now is 33.2 secs Computing kpt #: 94 total cpu time spent up to now is 33.6 secs Computing kpt #: 95 total cpu time spent up to now is 34.0 secs Computing kpt #: 96 total cpu time spent up to now is 34.4 secs Computing kpt #: 97 total cpu time spent up to now is 34.8 secs Computing kpt #: 98 total cpu time spent up to now is 35.2 secs Computing kpt #: 99 total cpu time spent up to now is 35.5 secs Computing kpt #: 100 total cpu time spent up to now is 35.9 secs Computing kpt #: 101 total cpu time spent up to now is 36.2 secs Computing kpt #: 102 total cpu time spent up to now is 36.6 secs Computing kpt #: 103 total cpu time spent up to now is 36.9 secs Computing kpt #: 104 total cpu time spent up to now is 37.2 secs Computing kpt #: 105 total cpu time spent up to now is 37.5 secs Computing kpt #: 106 total cpu time spent up to now is 37.8 secs Computing kpt #: 107 total cpu time spent up to now is 38.1 secs Computing kpt #: 108 total cpu time spent up to now is 38.4 secs Computing kpt #: 109 total cpu time spent up to now is 38.8 secs Computing kpt #: 110 total cpu time spent up to now is 39.2 secs Computing kpt #: 111 total cpu time spent up to now is 39.6 secs Computing kpt #: 112 total cpu time spent up to now is 40.0 secs Computing kpt #: 113 total cpu time spent up to now is 40.4 secs Computing kpt #: 114 total cpu time spent up to now is 40.9 secs Computing kpt #: 115 total cpu time spent up to now is 41.4 secs Computing kpt #: 116 total cpu time spent up to now is 41.8 secs Computing kpt #: 117 total cpu time spent up to now is 42.3 secs Computing kpt #: 118 total cpu time spent up to now is 42.8 secs Computing kpt #: 119 total cpu time spent up to now is 43.3 secs Computing kpt #: 120 total cpu time spent up to now is 43.7 secs Computing kpt #: 121 total cpu time spent up to now is 44.1 secs Computing kpt #: 122 total cpu time spent up to now is 44.5 secs Computing kpt #: 123 total cpu time spent up to now is 44.8 secs Computing kpt #: 124 total cpu time spent up to now is 45.2 secs Computing kpt #: 125 total cpu time spent up to now is 45.5 secs Computing kpt #: 126 total cpu time spent up to now is 45.9 secs Computing kpt #: 127 total cpu time spent up to now is 46.2 secs Computing kpt #: 128 total cpu time spent up to now is 46.6 secs Computing kpt #: 129 total cpu time spent up to now is 46.9 secs Computing kpt #: 130 total cpu time spent up to now is 47.2 secs Computing kpt #: 131 total cpu time spent up to now is 47.6 secs Computing kpt #: 132 total cpu time spent up to now is 47.9 secs Computing kpt #: 133 total cpu time spent up to now is 48.3 secs Computing kpt #: 134 total cpu time spent up to now is 48.6 secs Computing kpt #: 135 total cpu time spent up to now is 49.0 secs Computing kpt #: 136 total cpu time spent up to now is 49.3 secs Computing kpt #: 137 total cpu time spent up to now is 49.6 secs Computing kpt #: 138 total cpu time spent up to now is 50.0 secs Computing kpt #: 139 total cpu time spent up to now is 50.3 secs Computing kpt #: 140 total cpu time spent up to now is 50.7 secs Computing kpt #: 141 total cpu time spent up to now is 51.0 secs Computing kpt #: 142 total cpu time spent up to now is 51.3 secs Computing kpt #: 143 total cpu time spent up to now is 51.6 secs Computing kpt #: 144 total cpu time spent up to now is 51.9 secs Computing kpt #: 145 total cpu time spent up to now is 52.2 secs Computing kpt #: 146 total cpu time spent up to now is 52.5 secs Computing kpt #: 147 total cpu time spent up to now is 52.8 secs Computing kpt #: 148 total cpu time spent up to now is 53.1 secs Computing kpt #: 149 total cpu time spent up to now is 53.4 secs Computing kpt #: 150 total cpu time spent up to now is 53.7 secs Computing kpt #: 151 total cpu time spent up to now is 54.0 secs Computing kpt #: 152 total cpu time spent up to now is 54.3 secs Computing kpt #: 153 total cpu time spent up to now is 54.6 secs Computing kpt #: 154 total cpu time spent up to now is 54.9 secs Computing kpt #: 155 total cpu time spent up to now is 55.2 secs Computing kpt #: 156 total cpu time spent up to now is 55.5 secs Computing kpt #: 157 total cpu time spent up to now is 55.8 secs Computing kpt #: 158 total cpu time spent up to now is 56.1 secs Computing kpt #: 159 total cpu time spent up to now is 56.4 secs Computing kpt #: 160 total cpu time spent up to now is 56.8 secs Computing kpt #: 161 total cpu time spent up to now is 57.1 secs Computing kpt #: 162 total cpu time spent up to now is 57.4 secs Computing kpt #: 163 total cpu time spent up to now is 57.7 secs Computing kpt #: 164 total cpu time spent up to now is 58.0 secs Computing kpt #: 165 total cpu time spent up to now is 58.3 secs Computing kpt #: 166 total cpu time spent up to now is 58.7 secs Computing kpt #: 167 total cpu time spent up to now is 59.0 secs Computing kpt #: 168 total cpu time spent up to now is 59.3 secs Computing kpt #: 169 total cpu time spent up to now is 59.6 secs Computing kpt #: 170 total cpu time spent up to now is 59.9 secs Computing kpt #: 171 total cpu time spent up to now is 60.2 secs Computing kpt #: 172 total cpu time spent up to now is 60.5 secs Computing kpt #: 173 total cpu time spent up to now is 60.8 secs Computing kpt #: 174 total cpu time spent up to now is 61.0 secs Computing kpt #: 175 total cpu time spent up to now is 61.3 secs Computing kpt #: 176 total cpu time spent up to now is 61.7 secs Computing kpt #: 177 total cpu time spent up to now is 62.0 secs Computing kpt #: 178 total cpu time spent up to now is 62.3 secs Computing kpt #: 179 total cpu time spent up to now is 62.5 secs Computing kpt #: 180 total cpu time spent up to now is 62.9 secs Computing kpt #: 181 total cpu time spent up to now is 63.2 secs Computing kpt #: 182 total cpu time spent up to now is 63.6 secs Computing kpt #: 183 total cpu time spent up to now is 63.9 secs Computing kpt #: 184 total cpu time spent up to now is 64.3 secs Computing kpt #: 185 total cpu time spent up to now is 64.7 secs Computing kpt #: 186 total cpu time spent up to now is 65.1 secs Computing kpt #: 187 total cpu time spent up to now is 65.6 secs Computing kpt #: 188 total cpu time spent up to now is 66.0 secs Computing kpt #: 189 total cpu time spent up to now is 66.4 secs Computing kpt #: 190 total cpu time spent up to now is 66.9 secs Computing kpt #: 191 total cpu time spent up to now is 67.2 secs Computing kpt #: 192 total cpu time spent up to now is 67.6 secs Computing kpt #: 193 total cpu time spent up to now is 68.0 secs Computing kpt #: 194 total cpu time spent up to now is 68.4 secs Computing kpt #: 195 total cpu time spent up to now is 68.8 secs Computing kpt #: 196 total cpu time spent up to now is 69.3 secs Computing kpt #: 197 total cpu time spent up to now is 69.8 secs Computing kpt #: 198 total cpu time spent up to now is 70.2 secs Computing kpt #: 199 total cpu time spent up to now is 70.6 secs Computing kpt #: 200 total cpu time spent up to now is 71.0 secs Computing kpt #: 201 total cpu time spent up to now is 71.3 secs Computing kpt #: 202 total cpu time spent up to now is 71.6 secs Computing kpt #: 203 total cpu time spent up to now is 71.9 secs Computing kpt #: 204 total cpu time spent up to now is 72.2 secs Computing kpt #: 205 total cpu time spent up to now is 72.5 secs Computing kpt #: 206 total cpu time spent up to now is 72.7 secs Computing kpt #: 207 total cpu time spent up to now is 73.0 secs Computing kpt #: 208 total cpu time spent up to now is 73.3 secs Computing kpt #: 209 total cpu time spent up to now is 73.6 secs Computing kpt #: 210 total cpu time spent up to now is 73.9 secs Computing kpt #: 211 total cpu time spent up to now is 74.2 secs Computing kpt #: 212 total cpu time spent up to now is 74.5 secs Computing kpt #: 213 total cpu time spent up to now is 74.8 secs Computing kpt #: 214 total cpu time spent up to now is 75.1 secs Computing kpt #: 215 total cpu time spent up to now is 75.4 secs Computing kpt #: 216 total cpu time spent up to now is 75.8 secs Computing kpt #: 217 total cpu time spent up to now is 76.1 secs Computing kpt #: 218 total cpu time spent up to now is 76.4 secs Computing kpt #: 219 total cpu time spent up to now is 76.7 secs Computing kpt #: 220 total cpu time spent up to now is 77.0 secs Computing kpt #: 221 total cpu time spent up to now is 77.3 secs Computing kpt #: 222 total cpu time spent up to now is 77.7 secs Computing kpt #: 223 total cpu time spent up to now is 78.0 secs Computing kpt #: 224 total cpu time spent up to now is 78.3 secs Computing kpt #: 225 total cpu time spent up to now is 78.6 secs Computing kpt #: 226 total cpu time spent up to now is 78.9 secs Computing kpt #: 227 total cpu time spent up to now is 79.2 secs Computing kpt #: 228 total cpu time spent up to now is 79.6 secs Computing kpt #: 229 total cpu time spent up to now is 79.9 secs Computing kpt #: 230 total cpu time spent up to now is 80.2 secs Computing kpt #: 231 total cpu time spent up to now is 80.6 secs Computing kpt #: 232 total cpu time spent up to now is 80.9 secs Computing kpt #: 233 total cpu time spent up to now is 81.3 secs Computing kpt #: 234 total cpu time spent up to now is 81.7 secs Computing kpt #: 235 total cpu time spent up to now is 82.0 secs Computing kpt #: 236 total cpu time spent up to now is 82.4 secs Computing kpt #: 237 total cpu time spent up to now is 82.8 secs Computing kpt #: 238 total cpu time spent up to now is 83.1 secs Computing kpt #: 239 total cpu time spent up to now is 83.4 secs Computing kpt #: 240 total cpu time spent up to now is 83.7 secs Computing kpt #: 241 total cpu time spent up to now is 84.0 secs Computing kpt #: 242 total cpu time spent up to now is 84.3 secs Computing kpt #: 243 total cpu time spent up to now is 84.6 secs Computing kpt #: 244 total cpu time spent up to now is 84.9 secs Computing kpt #: 245 total cpu time spent up to now is 85.2 secs Computing kpt #: 246 total cpu time spent up to now is 85.5 secs Computing kpt #: 247 total cpu time spent up to now is 85.8 secs Computing kpt #: 248 total cpu time spent up to now is 86.1 secs Computing kpt #: 249 total cpu time spent up to now is 86.4 secs Computing kpt #: 250 total cpu time spent up to now is 86.7 secs Computing kpt #: 251 total cpu time spent up to now is 87.0 secs Computing kpt #: 252 total cpu time spent up to now is 87.4 secs Computing kpt #: 253 total cpu time spent up to now is 87.7 secs Computing kpt #: 254 total cpu time spent up to now is 88.1 secs Computing kpt #: 255 total cpu time spent up to now is 88.4 secs Computing kpt #: 256 total cpu time spent up to now is 88.7 secs Computing kpt #: 257 total cpu time spent up to now is 89.0 secs Computing kpt #: 258 total cpu time spent up to now is 89.4 secs Computing kpt #: 259 total cpu time spent up to now is 89.7 secs Computing kpt #: 260 total cpu time spent up to now is 90.0 secs Computing kpt #: 261 total cpu time spent up to now is 90.4 secs Computing kpt #: 262 total cpu time spent up to now is 90.7 secs Computing kpt #: 263 total cpu time spent up to now is 91.1 secs Computing kpt #: 264 total cpu time spent up to now is 91.4 secs Computing kpt #: 265 total cpu time spent up to now is 91.8 secs Computing kpt #: 266 total cpu time spent up to now is 92.2 secs Computing kpt #: 267 total cpu time spent up to now is 92.5 secs Computing kpt #: 268 total cpu time spent up to now is 92.9 secs Computing kpt #: 269 total cpu time spent up to now is 93.2 secs Computing kpt #: 270 total cpu time spent up to now is 93.6 secs Computing kpt #: 271 total cpu time spent up to now is 93.9 secs Computing kpt #: 272 total cpu time spent up to now is 94.2 secs Computing kpt #: 273 total cpu time spent up to now is 94.6 secs Computing kpt #: 274 total cpu time spent up to now is 94.9 secs Computing kpt #: 275 total cpu time spent up to now is 95.3 secs Computing kpt #: 276 total cpu time spent up to now is 95.6 secs Computing kpt #: 277 total cpu time spent up to now is 96.0 secs Computing kpt #: 278 total cpu time spent up to now is 96.3 secs Computing kpt #: 279 total cpu time spent up to now is 96.6 secs Computing kpt #: 280 total cpu time spent up to now is 97.0 secs Computing kpt #: 281 total cpu time spent up to now is 97.3 secs Computing kpt #: 282 total cpu time spent up to now is 97.7 secs Computing kpt #: 283 total cpu time spent up to now is 98.0 secs Computing kpt #: 284 total cpu time spent up to now is 98.3 secs Computing kpt #: 285 total cpu time spent up to now is 98.6 secs Computing kpt #: 286 total cpu time spent up to now is 98.9 secs Computing kpt #: 287 total cpu time spent up to now is 99.1 secs Computing kpt #: 288 total cpu time spent up to now is 99.4 secs Computing kpt #: 289 total cpu time spent up to now is 99.7 secs Computing kpt #: 290 total cpu time spent up to now is 100.0 secs Computing kpt #: 291 total cpu time spent up to now is 100.2 secs Computing kpt #: 292 total cpu time spent up to now is 100.5 secs Computing kpt #: 293 total cpu time spent up to now is 100.8 secs Computing kpt #: 294 total cpu time spent up to now is 101.0 secs Computing kpt #: 295 total cpu time spent up to now is 101.3 secs Computing kpt #: 296 total cpu time spent up to now is 101.6 secs Computing kpt #: 297 total cpu time spent up to now is 101.8 secs Computing kpt #: 298 total cpu time spent up to now is 102.1 secs Computing kpt #: 299 total cpu time spent up to now is 102.3 secs Computing kpt #: 300 total cpu time spent up to now is 102.6 secs Computing kpt #: 301 total cpu time spent up to now is 102.9 secs Computing kpt #: 302 total cpu time spent up to now is 103.1 secs Computing kpt #: 303 total cpu time spent up to now is 103.4 secs Computing kpt #: 304 total cpu time spent up to now is 103.6 secs Computing kpt #: 305 total cpu time spent up to now is 103.9 secs Computing kpt #: 306 total cpu time spent up to now is 104.2 secs Computing kpt #: 307 total cpu time spent up to now is 104.4 secs Computing kpt #: 308 total cpu time spent up to now is 104.7 secs Computing kpt #: 309 total cpu time spent up to now is 104.9 secs Computing kpt #: 310 total cpu time spent up to now is 105.2 secs Computing kpt #: 311 total cpu time spent up to now is 105.5 secs Computing kpt #: 312 total cpu time spent up to now is 105.7 secs Computing kpt #: 313 total cpu time spent up to now is 106.0 secs Computing kpt #: 314 total cpu time spent up to now is 106.3 secs Computing kpt #: 315 total cpu time spent up to now is 106.6 secs Computing kpt #: 316 total cpu time spent up to now is 106.8 secs Computing kpt #: 317 total cpu time spent up to now is 107.1 secs Computing kpt #: 318 total cpu time spent up to now is 107.4 secs Computing kpt #: 319 total cpu time spent up to now is 107.7 secs Computing kpt #: 320 total cpu time spent up to now is 107.9 secs Computing kpt #: 321 total cpu time spent up to now is 108.2 secs Computing kpt #: 322 total cpu time spent up to now is 108.5 secs Computing kpt #: 323 total cpu time spent up to now is 108.8 secs Computing kpt #: 324 total cpu time spent up to now is 109.1 secs Computing kpt #: 325 total cpu time spent up to now is 109.4 secs Computing kpt #: 326 total cpu time spent up to now is 109.7 secs Computing kpt #: 327 total cpu time spent up to now is 110.1 secs Computing kpt #: 328 total cpu time spent up to now is 110.5 secs Computing kpt #: 329 total cpu time spent up to now is 110.8 secs Computing kpt #: 330 total cpu time spent up to now is 111.2 secs Computing kpt #: 331 total cpu time spent up to now is 111.5 secs Computing kpt #: 332 total cpu time spent up to now is 111.8 secs Computing kpt #: 333 total cpu time spent up to now is 112.1 secs Computing kpt #: 334 total cpu time spent up to now is 112.5 secs Computing kpt #: 335 total cpu time spent up to now is 112.8 secs Computing kpt #: 336 total cpu time spent up to now is 113.1 secs Computing kpt #: 337 total cpu time spent up to now is 113.4 secs Computing kpt #: 338 total cpu time spent up to now is 113.7 secs Computing kpt #: 339 total cpu time spent up to now is 114.1 secs Computing kpt #: 340 total cpu time spent up to now is 114.4 secs Computing kpt #: 341 total cpu time spent up to now is 114.7 secs Computing kpt #: 342 total cpu time spent up to now is 115.0 secs Computing kpt #: 343 total cpu time spent up to now is 115.3 secs Computing kpt #: 344 total cpu time spent up to now is 115.7 secs Computing kpt #: 345 total cpu time spent up to now is 116.0 secs Computing kpt #: 346 total cpu time spent up to now is 116.4 secs Computing kpt #: 347 total cpu time spent up to now is 116.8 secs Computing kpt #: 348 total cpu time spent up to now is 117.2 secs Computing kpt #: 349 total cpu time spent up to now is 117.6 secs Computing kpt #: 350 total cpu time spent up to now is 117.9 secs Computing kpt #: 351 total cpu time spent up to now is 118.3 secs Computing kpt #: 352 total cpu time spent up to now is 118.6 secs Computing kpt #: 353 total cpu time spent up to now is 118.9 secs Computing kpt #: 354 total cpu time spent up to now is 119.2 secs Computing kpt #: 355 total cpu time spent up to now is 119.5 secs Computing kpt #: 356 total cpu time spent up to now is 119.8 secs Computing kpt #: 357 total cpu time spent up to now is 120.1 secs Computing kpt #: 358 total cpu time spent up to now is 120.4 secs Computing kpt #: 359 total cpu time spent up to now is 120.6 secs Computing kpt #: 360 total cpu time spent up to now is 120.9 secs Computing kpt #: 361 total cpu time spent up to now is 121.2 secs Computing kpt #: 362 total cpu time spent up to now is 121.5 secs Computing kpt #: 363 total cpu time spent up to now is 121.7 secs Computing kpt #: 364 total cpu time spent up to now is 122.0 secs Computing kpt #: 365 total cpu time spent up to now is 122.3 secs Computing kpt #: 366 total cpu time spent up to now is 122.5 secs Computing kpt #: 367 total cpu time spent up to now is 122.8 secs Computing kpt #: 368 total cpu time spent up to now is 123.1 secs Computing kpt #: 369 total cpu time spent up to now is 123.3 secs Computing kpt #: 370 total cpu time spent up to now is 123.6 secs Computing kpt #: 371 total cpu time spent up to now is 123.9 secs Computing kpt #: 372 total cpu time spent up to now is 124.1 secs Computing kpt #: 373 total cpu time spent up to now is 124.4 secs Computing kpt #: 374 total cpu time spent up to now is 124.7 secs Computing kpt #: 375 total cpu time spent up to now is 125.0 secs Computing kpt #: 376 total cpu time spent up to now is 125.3 secs Computing kpt #: 377 total cpu time spent up to now is 125.6 secs Computing kpt #: 378 total cpu time spent up to now is 126.0 secs Computing kpt #: 379 total cpu time spent up to now is 126.3 secs Computing kpt #: 380 total cpu time spent up to now is 126.6 secs Computing kpt #: 381 total cpu time spent up to now is 127.0 secs Computing kpt #: 382 total cpu time spent up to now is 127.4 secs Computing kpt #: 383 total cpu time spent up to now is 127.7 secs Computing kpt #: 384 total cpu time spent up to now is 128.0 secs Computing kpt #: 385 total cpu time spent up to now is 128.3 secs Computing kpt #: 386 total cpu time spent up to now is 128.6 secs Computing kpt #: 387 total cpu time spent up to now is 128.9 secs Computing kpt #: 388 total cpu time spent up to now is 129.2 secs Computing kpt #: 389 total cpu time spent up to now is 129.5 secs Computing kpt #: 390 total cpu time spent up to now is 129.8 secs Computing kpt #: 391 total cpu time spent up to now is 130.1 secs Computing kpt #: 392 total cpu time spent up to now is 130.3 secs Computing kpt #: 393 total cpu time spent up to now is 130.6 secs Computing kpt #: 394 total cpu time spent up to now is 130.9 secs Computing kpt #: 395 total cpu time spent up to now is 131.2 secs Computing kpt #: 396 total cpu time spent up to now is 131.5 secs Computing kpt #: 397 total cpu time spent up to now is 131.8 secs Computing kpt #: 398 total cpu time spent up to now is 132.1 secs Computing kpt #: 399 total cpu time spent up to now is 132.4 secs Computing kpt #: 400 total cpu time spent up to now is 132.6 secs Computing kpt #: 401 total cpu time spent up to now is 132.9 secs Computing kpt #: 402 total cpu time spent up to now is 133.3 secs Computing kpt #: 403 total cpu time spent up to now is 133.6 secs Computing kpt #: 404 total cpu time spent up to now is 134.0 secs Computing kpt #: 405 total cpu time spent up to now is 134.3 secs Computing kpt #: 406 total cpu time spent up to now is 134.7 secs Computing kpt #: 407 total cpu time spent up to now is 135.0 secs Computing kpt #: 408 total cpu time spent up to now is 135.3 secs Computing kpt #: 409 total cpu time spent up to now is 135.6 secs Computing kpt #: 410 total cpu time spent up to now is 135.9 secs Computing kpt #: 411 total cpu time spent up to now is 136.2 secs Computing kpt #: 412 total cpu time spent up to now is 136.5 secs Computing kpt #: 413 total cpu time spent up to now is 136.8 secs Computing kpt #: 414 total cpu time spent up to now is 137.1 secs Computing kpt #: 415 total cpu time spent up to now is 137.4 secs Computing kpt #: 416 total cpu time spent up to now is 137.7 secs Computing kpt #: 417 total cpu time spent up to now is 138.1 secs Computing kpt #: 418 total cpu time spent up to now is 138.4 secs Computing kpt #: 419 total cpu time spent up to now is 138.7 secs Computing kpt #: 420 total cpu time spent up to now is 139.0 secs Computing kpt #: 421 total cpu time spent up to now is 139.3 secs Computing kpt #: 422 total cpu time spent up to now is 139.6 secs Computing kpt #: 423 total cpu time spent up to now is 139.9 secs Computing kpt #: 424 total cpu time spent up to now is 140.3 secs Computing kpt #: 425 total cpu time spent up to now is 140.6 secs Computing kpt #: 426 total cpu time spent up to now is 140.9 secs ethr = 2.78E-08, avg # of iterations = 20.7 total cpu time spent up to now is 140.9 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2347 PWs) bands (ev): -2.2589 -2.2589 -0.4206 -0.4206 1.7951 1.7951 1.8214 1.8214 1.8427 1.8427 2.2417 2.2417 2.3928 2.3928 2.4700 2.4700 2.5492 2.5492 2.6236 2.6236 2.6879 2.6879 3.8598 3.8598 5.6052 5.6052 7.9152 7.9152 8.4179 8.4179 9.0793 9.0793 9.7213 9.7213 11.4637 11.4637 12.0643 12.0643 12.6629 12.6629 15.2974 15.2974 16.5454 16.5454 k = 0.0088 0.0095-0.0000 ( 2343 PWs) bands (ev): -2.2577 -2.2577 -0.4199 -0.4199 1.7949 1.7949 1.8210 1.8210 1.8429 1.8429 2.2414 2.2414 2.3924 2.3924 2.4702 2.4702 2.5491 2.5491 2.6236 2.6236 2.6878 2.6878 3.8579 3.8579 5.6071 5.6071 7.9075 7.9075 8.3990 8.3990 9.0995 9.0995 9.7252 9.7252 11.4619 11.4619 12.0641 12.0641 12.6691 12.6691 15.2994 15.2994 16.5364 16.5364 k = 0.0177 0.0189-0.0000 ( 2345 PWs) bands (ev): -2.2539 -2.2539 -0.4180 -0.4180 1.7943 1.7943 1.8199 1.8199 1.8435 1.8435 2.2404 2.2404 2.3911 2.3911 2.4708 2.4708 2.5489 2.5489 2.6238 2.6238 2.6874 2.6874 3.8521 3.8521 5.6129 5.6129 7.8848 7.8848 8.3481 8.3481 9.1541 9.1541 9.7364 9.7364 11.4565 11.4565 12.0638 12.0638 12.6876 12.6876 15.3054 15.3054 16.5098 16.5098 k = 0.0265 0.0284-0.0000 ( 2355 PWs) bands (ev): -2.2475 -2.2475 -0.4149 -0.4149 1.7933 1.7933 1.8182 1.8182 1.8443 1.8443 2.2387 2.2387 2.3889 2.3889 2.4718 2.4718 2.5486 2.5486 2.6240 2.6240 2.6868 2.6868 3.8427 3.8427 5.6224 5.6224 7.8485 7.8485 8.2767 8.2767 9.2307 9.2307 9.7538 9.7538 11.4476 11.4476 12.0636 12.0636 12.7187 12.7187 15.3152 15.3152 16.4670 16.4670 k = 0.0354 0.0378-0.0000 ( 2355 PWs) bands (ev): -2.2387 -2.2387 -0.4106 -0.4106 1.7918 1.7918 1.8161 1.8161 1.8452 1.8452 2.2364 2.2364 2.3860 2.3860 2.4731 2.4731 2.5481 2.5481 2.6243 2.6243 2.6859 2.6859 3.8297 3.8297 5.6357 5.6357 7.8005 7.8005 8.1940 8.1940 9.3187 9.3187 9.7762 9.7762 11.4353 11.4353 12.0644 12.0644 12.7625 12.7625 15.3284 15.3284 16.4099 16.4099 k = 0.0442 0.0473-0.0000 ( 2349 PWs) bands (ev): -2.2273 -2.2273 -0.4051 -0.4051 1.7898 1.7898 1.8139 1.8139 1.8460 1.8460 2.2335 2.2335 2.3823 2.3823 2.4747 2.4747 2.5475 2.5475 2.6247 2.6247 2.6849 2.6849 3.8132 3.8132 5.6527 5.6527 7.7427 7.7427 8.1059 8.1059 9.4103 9.4103 9.8024 9.8024 11.4198 11.4198 12.0673 12.0673 12.8193 12.8193 15.3447 15.3447 16.3407 16.3407 k = 0.0530 0.0567-0.0000 ( 2345 PWs) bands (ev): -2.2135 -2.2135 -0.3986 -0.3986 1.7873 1.7873 1.8115 1.8115 1.8467 1.8467 2.2300 2.2300 2.3781 2.3781 2.4765 2.4765 2.5468 2.5468 2.6251 2.6251 2.6836 2.6836 3.7935 3.7935 5.6734 5.6734 7.6772 7.6772 8.0161 8.0161 9.4985 9.4985 9.8325 9.8325 11.4011 11.4011 12.0738 12.0738 12.8893 12.8893 15.3634 15.3634 16.2617 16.2617 k = 0.0619 0.0662-0.0000 ( 2343 PWs) bands (ev): -2.1973 -2.1973 -0.3910 -0.3910 1.7844 1.7844 1.8090 1.8090 1.8471 1.8471 2.2260 2.2260 2.3734 2.3734 2.4784 2.4784 2.5459 2.5459 2.6257 2.6257 2.6821 2.6821 3.7708 3.7708 5.6975 5.6975 7.6052 7.6052 7.9269 7.9269 9.5762 9.5762 9.8681 9.8681 11.3795 11.3795 12.0856 12.0856 12.9724 12.9724 15.3837 15.3837 16.1748 16.1748 k = 0.0707 0.0756-0.0000 ( 2343 PWs) bands (ev): -2.1787 -2.1787 -0.3824 -0.3824 1.7810 1.7810 1.8066 1.8066 1.8474 1.8474 2.2215 2.2215 2.3682 2.3682 2.4803 2.4803 2.5449 2.5449 2.6263 2.6263 2.6805 2.6805 3.7454 3.7454 5.7252 5.7252 7.5280 7.5280 7.8402 7.8402 9.6363 9.6363 9.9118 9.9118 11.3549 11.3549 12.1049 12.1049 13.0686 13.0686 15.4046 15.4046 16.0820 16.0820 k = 0.0796 0.0851-0.0000 ( 2347 PWs) bands (ev): -2.1577 -2.1577 -0.3730 -0.3730 1.7771 1.7771 1.8042 1.8042 1.8474 1.8474 2.2165 2.2165 2.3627 2.3627 2.4823 2.4823 2.5439 2.5439 2.6270 2.6270 2.6788 2.6788 3.7176 3.7176 5.7561 5.7561 7.4464 7.4464 7.7574 7.7574 9.6745 9.6745 9.9639 9.9639 11.3272 11.3272 12.1343 12.1343 13.1777 13.1777 15.4247 15.4247 15.9848 15.9848 k = 0.0884 0.0946-0.0000 ( 2345 PWs) bands (ev): -2.1344 -2.1344 -0.3629 -0.3629 1.7730 1.7730 1.8017 1.8017 1.8472 1.8472 2.2112 2.2112 2.3570 2.3570 2.4841 2.4841 2.5429 2.5429 2.6278 2.6278 2.6769 2.6769 3.6879 3.6879 5.7902 5.7902 7.3611 7.3611 7.6795 7.6795 9.6920 9.6920 10.0200 10.0200 11.2965 11.2965 12.1761 12.1761 13.2991 13.2991 15.4422 15.4422 15.8844 15.8844 k = 0.0973 0.1040-0.0000 ( 2341 PWs) bands (ev): -2.1090 -2.1090 -0.3522 -0.3522 1.7686 1.7686 1.7993 1.7993 1.8466 1.8466 2.2055 2.2055 2.3513 2.3513 2.4856 2.4856 2.5419 2.5419 2.6286 2.6286 2.6750 2.6750 3.6565 3.6565 5.8274 5.8274 7.2729 7.2729 7.6072 7.6072 9.6931 9.6931 10.0736 10.0736 11.2626 11.2626 12.2327 12.2327 13.4322 13.4322 15.4547 15.4547 15.7820 15.7820 k = 0.1061 0.1135-0.0000 ( 2345 PWs) bands (ev): -2.0814 -2.0814 -0.3411 -0.3411 1.7640 1.7640 1.7967 1.7967 1.8459 1.8459 2.1996 2.1996 2.3455 2.3455 2.4869 2.4869 2.5411 2.5411 2.6294 2.6294 2.6731 2.6731 3.6238 3.6238 5.8674 5.8674 7.1826 7.1826 7.5406 7.5406 9.6813 9.6813 10.1194 10.1194 11.2253 11.2253 12.3057 12.3057 13.5762 13.5762 15.4588 15.4588 15.6787 15.6787 k = 0.1149 0.1229-0.0000 ( 2343 PWs) bands (ev): -2.0517 -2.0517 -0.3296 -0.3296 1.7593 1.7593 1.7941 1.7941 1.8449 1.8449 2.1933 2.1933 2.3399 2.3399 2.4877 2.4877 2.5405 2.5405 2.6301 2.6301 2.6712 2.6712 3.5903 3.5903 5.9102 5.9102 7.0910 7.0910 7.4796 7.4796 9.6592 9.6592 10.1544 10.1544 11.1847 11.1847 12.3962 12.3962 13.7302 13.7302 15.4499 15.4499 15.5759 15.5759 k = 0.1238 0.1324-0.0000 ( 2343 PWs) bands (ev): -2.0201 -2.0201 -0.3180 -0.3180 1.7547 1.7547 1.7914 1.7914 1.8437 1.8437 2.1869 2.1869 2.3346 2.3346 2.4879 2.4879 2.5403 2.5403 2.6307 2.6307 2.6695 2.6695 3.5564 3.5564 5.9554 5.9554 6.9992 6.9992 7.4242 7.4242 9.6284 9.6284 10.1774 10.1774 11.1407 11.1407 12.5040 12.5040 13.8932 13.8932 15.4192 15.4192 15.4777 15.4777 k = 0.1326 0.1418-0.0000 ( 2343 PWs) bands (ev): -1.9865 -1.9865 -0.3064 -0.3064 1.7501 1.7501 1.7885 1.7885 1.8423 1.8423 2.1804 2.1804 2.3296 2.3296 2.4876 2.4876 2.5404 2.5404 2.6311 2.6311 2.6680 2.6680 3.5224 3.5224 6.0028 6.0028 6.9078 6.9078 7.3741 7.3741 9.5902 9.5902 10.1886 10.1886 11.0935 11.0935 12.6285 12.6285 14.0639 14.0639 15.3481 15.3481 15.3982 15.3982 k = 0.1415 0.1513-0.0000 ( 2337 PWs) bands (ev): -1.9513 -1.9513 -0.2950 -0.2950 1.7458 1.7458 1.7856 1.7856 1.8408 1.8408 2.1738 2.1738 2.3250 2.3250 2.4868 2.4868 2.5408 2.5408 2.6311 2.6311 2.6669 2.6669 3.4888 3.4888 6.0519 6.0519 6.8178 6.8178 7.3289 7.3289 9.5454 9.5454 10.1886 10.1886 11.0433 11.0433 12.7682 12.7682 14.2404 14.2404 15.2506 15.2506 15.3200 15.3200 k = 0.1503 0.1607-0.0000 ( 2337 PWs) bands (ev): -1.9144 -1.9144 -0.2841 -0.2841 1.7418 1.7418 1.7825 1.7825 1.8392 1.8392 2.1672 2.1672 2.3210 2.3210 2.4854 2.4854 2.5416 2.5416 2.6308 2.6308 2.6663 2.6663 3.4559 3.4559 6.1021 6.1021 6.7302 6.7302 7.2885 7.2885 9.4949 9.4949 10.1787 10.1787 10.9903 10.9903 12.9215 12.9215 14.4188 14.4188 15.1490 15.1490 15.2216 15.2216 k = 0.1591 0.1702-0.0000 ( 2341 PWs) bands (ev): -1.8760 -1.8760 -0.2738 -0.2738 1.7382 1.7382 1.7794 1.7794 1.8375 1.8375 2.1607 2.1607 2.3176 2.3176 2.4836 2.4836 2.5426 2.5426 2.6301 2.6301 2.6663 2.6663 3.4241 3.4241 6.1523 6.1523 6.6462 6.6462 7.2526 7.2526 9.4393 9.4393 10.1604 10.1604 10.9350 10.9350 13.0863 13.0863 14.5876 14.5876 15.0479 15.0479 15.1105 15.1105 k = 0.1680 0.1796-0.0000 ( 2340 PWs) bands (ev): -1.8363 -1.8363 -0.2643 -0.2643 1.7353 1.7353 1.7762 1.7762 1.8358 1.8358 2.1544 2.1544 2.3148 2.3148 2.4815 2.4815 2.5437 2.5437 2.6289 2.6289 2.6670 2.6670 3.3936 3.3936 6.1997 6.1997 6.5688 6.5688 7.2211 7.2211 9.3792 9.3792 10.1350 10.1350 10.8776 10.8776 13.2608 13.2608 14.6897 14.6897 14.9567 14.9567 15.0379 15.0379 k = 0.1768 0.1891-0.0000 ( 2352 PWs) bands (ev): -1.7954 -1.7954 -0.2559 -0.2559 1.7330 1.7330 1.7730 1.7730 1.8341 1.8341 2.1483 2.1483 2.3128 2.3128 2.4792 2.4792 2.5448 2.5448 2.6275 2.6275 2.6683 2.6683 3.3648 3.3648 6.2375 6.2375 6.5047 6.5047 7.1939 7.1939 9.3152 9.3152 10.1037 10.1037 10.8185 10.8185 13.4429 13.4429 14.6167 14.6167 14.8643 14.8643 15.1284 15.1284 k = 0.1857 0.1986-0.0000 ( 2358 PWs) bands (ev): -1.7535 -1.7535 -0.2487 -0.2487 1.7317 1.7317 1.7699 1.7699 1.8326 1.8326 2.1426 2.1426 2.3115 2.3115 2.4769 2.4769 2.5458 2.5458 2.6259 2.6259 2.6702 2.6702 3.3378 3.3378 6.2487 6.2487 6.4710 6.4710 7.1709 7.1709 9.2475 9.2475 10.0676 10.0676 10.7579 10.7579 13.6305 13.6305 14.4482 14.4482 14.7700 14.7700 15.3086 15.3086 k = 0.1945 0.2080-0.0000 ( 2354 PWs) bands (ev): -1.7108 -1.7108 -0.2429 -0.2429 1.7314 1.7314 1.7669 1.7669 1.8311 1.8311 2.1373 2.1373 2.3109 2.3109 2.4746 2.4746 2.5464 2.5464 2.6243 2.6243 2.6726 2.6726 3.3129 3.3129 6.2185 6.2185 6.4824 6.4824 7.1521 7.1521 9.1767 9.1767 10.0276 10.0276 10.6962 10.6962 13.8206 13.8206 14.2513 14.2513 14.6788 14.6788 15.5112 15.5112 k = 0.2033 0.2175-0.0000 ( 2352 PWs) bands (ev): -1.6674 -1.6674 -0.2387 -0.2387 1.7324 1.7324 1.7641 1.7641 1.8298 1.8298 2.1326 2.1326 2.3112 2.3112 2.4726 2.4726 2.5467 2.5467 2.6230 2.6230 2.6755 2.6755 3.2901 3.2901 6.1617 6.1617 6.5238 6.5238 7.1374 7.1374 9.1029 9.1029 9.9846 9.9846 10.6338 10.6338 13.9925 13.9925 14.0593 14.0593 14.5929 14.5929 15.7224 15.7224 k = 0.2122 0.2269-0.0000 ( 2352 PWs) bands (ev): -1.6237 -1.6237 -0.2362 -0.2362 1.7348 1.7348 1.7615 1.7615 1.8287 1.8287 2.1284 2.1284 2.3122 2.3122 2.4708 2.4708 2.5465 2.5465 2.6221 2.6221 2.6788 2.6788 3.2695 3.2695 6.0957 6.0957 6.5776 6.5776 7.1270 7.1270 9.0264 9.0264 9.9392 9.9392 10.5708 10.5708 13.8192 13.8192 14.1961 14.1961 14.5191 14.5191 15.9379 15.9379 k = 0.2210 0.2364-0.0000 ( 2352 PWs) bands (ev): -1.5798 -1.5798 -0.2356 -0.2356 1.7388 1.7388 1.7594 1.7594 1.8279 1.8279 2.1249 2.1249 2.3140 2.3140 2.4696 2.4696 2.5456 2.5456 2.6218 2.6218 2.6824 2.6824 3.2513 3.2513 6.0273 6.0273 6.6364 6.6364 7.1211 7.1211 8.9473 8.9473 9.8920 9.8920 10.5075 10.5075 13.6008 13.6008 14.3140 14.3140 14.5049 14.5049 16.1553 16.1553 k = 0.2299 0.2458-0.0000 ( 2352 PWs) bands (ev): -1.5360 -1.5360 -0.2369 -0.2369 1.7446 1.7446 1.7576 1.7576 1.8274 1.8274 2.1221 2.1221 2.3165 2.3165 2.4688 2.4688 2.5442 2.5442 2.6221 2.6221 2.6863 2.6863 3.2353 3.2353 5.9590 5.9590 6.6973 6.6973 7.1200 7.1200 8.8658 8.8658 9.8434 9.8434 10.4443 10.4443 13.3809 13.3809 14.2898 14.2898 14.6271 14.6271 16.3724 16.3724 k = 0.2387 0.2553-0.0000 ( 2352 PWs) bands (ev): -1.4924 -1.4924 -0.2402 -0.2402 1.7521 1.7521 1.7566 1.7566 1.8271 1.8271 2.1200 2.1200 2.3198 2.3198 2.4688 2.4688 2.5423 2.5423 2.6231 2.6231 2.6905 2.6905 3.2217 3.2217 5.8921 5.8921 6.7584 6.7584 7.1244 7.1244 8.7819 8.7819 9.7940 9.7940 10.3812 10.3812 13.1619 13.1619 14.2224 14.2224 14.7783 14.7783 16.5864 16.5864 k = 0.2476 0.2647-0.0000 ( 2352 PWs) bands (ev): -1.4495 -1.4495 -0.2455 -0.2455 1.7548 1.7548 1.7629 1.7629 1.8274 1.8274 2.1187 2.1187 2.3237 2.3237 2.4695 2.4695 2.5399 2.5399 2.6249 2.6249 2.6949 2.6949 3.2103 3.2103 5.8269 5.8269 6.8180 6.8180 7.1352 7.1352 8.6957 8.6957 9.7441 9.7441 10.3184 10.3184 12.9451 12.9451 14.1501 14.1501 14.9086 14.9086 16.7872 16.7872 k = 0.2564 0.2742-0.0000 ( 2352 PWs) bands (ev): -1.4073 -1.4073 -0.2528 -0.2528 1.7545 1.7545 1.7747 1.7747 1.8282 1.8282 2.1183 2.1183 2.3283 2.3283 2.4711 2.4711 2.5371 2.5371 2.6273 2.6273 2.6995 2.6995 3.2012 3.2012 5.7637 5.7637 6.8744 6.8744 7.1535 7.1535 8.6071 8.6071 9.6940 9.6940 10.2563 10.2563 12.7317 12.7317 14.0786 14.0786 14.9967 14.9967 16.8650 16.8650 k = 0.2652 0.2837-0.0000 ( 2348 PWs) bands (ev): -1.3662 -1.3662 -0.2620 -0.2620 1.7544 1.7544 1.7885 1.7885 1.8301 1.8301 2.1187 2.1187 2.3335 2.3335 2.4737 2.4737 2.5342 2.5342 2.6304 2.6304 2.7043 2.7043 3.1941 3.1941 5.7027 5.7027 6.9260 6.9260 7.1809 7.1809 8.5160 8.5160 9.6440 9.6440 10.1950 10.1950 12.5225 12.5225 14.0094 14.0094 15.0256 15.0256 16.8506 16.8506 k = 0.2741 0.2931-0.0000 ( 2348 PWs) bands (ev): -1.3263 -1.3263 -0.2730 -0.2730 1.7548 1.7548 1.8025 1.8025 1.8347 1.8347 2.1200 2.1200 2.3392 2.3392 2.4774 2.4774 2.5311 2.5311 2.6342 2.6342 2.7093 2.7093 3.1892 3.1892 5.6439 5.6439 6.9716 6.9716 7.2181 7.2181 8.4225 8.4225 9.5943 9.5943 10.1345 10.1345 12.3183 12.3183 13.9430 13.9430 14.9880 14.9880 16.8945 16.8945 k = 0.2829 0.3026-0.0000 ( 2340 PWs) bands (ev): -1.2880 -1.2880 -0.2857 -0.2857 1.7554 1.7554 1.8133 1.8133 1.8455 1.8455 2.1221 2.1221 2.3453 2.3453 2.4821 2.4821 2.5282 2.5282 2.6387 2.6387 2.7144 2.7144 3.1863 3.1863 5.5873 5.5873 7.0113 7.0113 7.2648 7.2648 8.3263 8.3263 9.5452 9.5452 10.0751 10.0751 12.1198 12.1198 13.8797 13.8797 14.8909 14.8909 17.0006 17.0006 k = 0.2918 0.3120-0.0000 ( 2346 PWs) bands (ev): -1.2513 -1.2513 -0.3000 -0.3000 1.7564 1.7564 1.8190 1.8190 1.8642 1.8642 2.1252 2.1252 2.3519 2.3519 2.4877 2.4877 2.5258 2.5258 2.6439 2.6439 2.7196 2.7196 3.1852 3.1852 5.5331 5.5331 7.0466 7.0466 7.3190 7.3190 8.2275 8.2275 9.4969 9.4969 10.0170 10.0170 11.9277 11.9277 13.8197 13.8197 14.7496 14.7496 17.1551 17.1551 k = 0.3006 0.3215-0.0000 ( 2346 PWs) bands (ev): -1.2166 -1.2166 -0.3156 -0.3156 1.7576 1.7576 1.8219 1.8219 1.8884 1.8884 2.1291 2.1291 2.3589 2.3589 2.4937 2.4937 2.5244 2.5244 2.6500 2.6500 2.7249 2.7249 3.1860 3.1860 5.4813 5.4813 7.0794 7.0794 7.3786 7.3786 8.1260 8.1260 9.4495 9.4495 9.9601 9.9601 11.7426 11.7426 13.7633 13.7633 14.5794 14.5794 17.3434 17.3434 k = 0.3094 0.3309-0.0000 ( 2342 PWs) bands (ev): -1.1838 -1.1838 -0.3323 -0.3323 1.7589 1.7589 1.8238 1.8238 1.9157 1.9157 2.1341 2.1341 2.3661 2.3661 2.4988 2.4988 2.5255 2.5255 2.6571 2.6571 2.7302 2.7302 3.1886 3.1886 5.4318 5.4318 7.1115 7.1115 7.4415 7.4415 8.0220 8.0220 9.4032 9.4032 9.9047 9.9047 11.5650 11.5650 13.7104 13.7104 14.3913 14.3913 17.5544 17.5544 k = 0.3183 0.3404-0.0000 ( 2342 PWs) bands (ev): -1.1532 -1.1532 -0.3500 -0.3500 1.7605 1.7605 1.8252 1.8252 1.9452 1.9452 2.1401 2.1401 2.3737 2.3737 2.5014 2.5014 2.5308 2.5308 2.6658 2.6658 2.7356 2.7356 3.1927 3.1927 5.3847 5.3847 7.1437 7.1437 7.5059 7.5059 7.9159 7.9159 9.3582 9.3582 9.8509 9.8509 11.3954 11.3954 13.6613 13.6613 14.1927 14.1927 17.4863 17.4863 k = 0.3271 0.3498-0.0000 ( 2338 PWs) bands (ev): -1.1249 -1.1249 -0.3685 -0.3685 1.7621 1.7621 1.8264 1.8264 1.9758 1.9758 2.1473 2.1473 2.3814 2.3814 2.5012 2.5012 2.5403 2.5403 2.6766 2.6766 2.7409 2.7409 3.1983 3.1983 5.3401 5.3401 7.1760 7.1760 7.5701 7.5701 7.8091 7.8091 9.3145 9.3145 9.7987 9.7987 11.2342 11.2342 13.6159 13.6159 13.9887 13.9887 17.3184 17.3184 k = 0.3360 0.3593-0.0000 ( 2330 PWs) bands (ev): -1.0988 -1.0988 -0.3875 -0.3875 1.7638 1.7638 1.8275 1.8275 2.0064 2.0064 2.1559 2.1559 2.3894 2.3894 2.4996 2.4996 2.5524 2.5524 2.6903 2.6903 2.7463 2.7463 3.2053 3.2053 5.2981 5.2981 7.2074 7.2074 7.6257 7.6257 7.7108 7.7108 9.2725 9.2725 9.7482 9.7482 11.0817 11.0817 13.5743 13.5743 13.7824 13.7824 17.1538 17.1538 k = 0.3448 0.3688-0.0000 ( 2324 PWs) bands (ev): -1.0750 -1.0750 -0.4068 -0.4068 1.7657 1.7657 1.8283 1.8283 2.0356 2.0356 2.1664 2.1664 2.3974 2.3974 2.4975 2.4975 2.5655 2.5655 2.7082 2.7082 2.7516 2.7516 3.2135 3.2135 5.2586 5.2586 7.2335 7.2335 7.5831 7.5831 7.7145 7.7145 9.2321 9.2321 9.6994 9.6994 10.9382 10.9382 13.5349 13.5349 13.5776 13.5776 16.9935 16.9935 k = 0.3537 0.3782-0.0000 ( 2320 PWs) bands (ev): -1.0535 -1.0535 -0.4261 -0.4261 1.7675 1.7675 1.8290 1.8290 2.0622 2.0622 2.1790 2.1790 2.4055 2.4055 2.4952 2.4952 2.5786 2.5786 2.7316 2.7316 2.7571 2.7571 3.2227 3.2227 5.2218 5.2218 7.2408 7.2408 7.5020 7.5020 7.7742 7.7742 9.1934 9.1934 9.6525 9.6525 10.8039 10.8039 13.3697 13.3697 13.5043 13.5043 16.8377 16.8377 k = 0.3625 0.3877-0.0000 ( 2318 PWs) bands (ev): -1.0341 -1.0341 -0.4454 -0.4454 1.7694 1.7694 1.8296 1.8296 2.0850 2.0850 2.1938 2.1938 2.4136 2.4136 2.4929 2.4929 2.5907 2.5907 2.7578 2.7578 2.7667 2.7667 3.2327 3.2327 5.1878 5.1878 7.2004 7.2004 7.4649 7.4649 7.8358 7.8358 9.1567 9.1567 9.6075 9.6075 10.6790 10.6790 13.1680 13.1680 13.4744 13.4744 16.6870 16.6870 k = 0.3713 0.3971-0.0000 ( 2326 PWs) bands (ev): -1.0169 -1.0169 -0.4644 -0.4644 1.7714 1.7714 1.8300 1.8300 2.1036 2.1036 2.2105 2.2105 2.4214 2.4214 2.4907 2.4907 2.6011 2.6011 2.7658 2.7658 2.8024 2.8024 3.2434 3.2434 5.1569 5.1569 7.1090 7.1090 7.4781 7.4781 7.8962 7.8962 9.1220 9.1220 9.5643 9.5643 10.5633 10.5633 12.9701 12.9701 13.4486 13.4486 16.5416 16.5416 k = 0.3802 0.4066-0.0000 ( 2330 PWs) bands (ev): -1.0016 -1.0016 -0.4830 -0.4830 1.7733 1.7733 1.8302 1.8302 2.1185 2.1185 2.2281 2.2281 2.4291 2.4291 2.4886 2.4886 2.6098 2.6098 2.7707 2.7707 2.8490 2.8490 3.2546 3.2546 5.1291 5.1291 6.9930 6.9930 7.5161 7.5161 7.9544 7.9544 9.0895 9.0895 9.5230 9.5230 10.4569 10.4569 12.7770 12.7770 13.4268 13.4268 16.4019 16.4019 k = 0.3890 0.4160-0.0000 ( 2340 PWs) bands (ev): -0.9883 -0.9883 -0.5008 -0.5008 1.7753 1.7753 1.8303 1.8303 2.1304 2.1304 2.2454 2.2454 2.4364 2.4364 2.4866 2.4866 2.6170 2.6170 2.7754 2.7754 2.9032 2.9032 3.2660 3.2660 5.1048 5.1048 6.8667 6.8667 7.5649 7.5649 8.0100 8.0100 9.0594 9.0594 9.4836 9.4836 10.3596 10.3596 12.5899 12.5899 13.4088 13.4088 16.2685 16.2685 k = 0.3979 0.4255-0.0000 ( 2332 PWs) bands (ev): -0.9767 -0.9767 -0.5179 -0.5179 1.7773 1.7773 1.8302 1.8302 2.1401 2.1401 2.2616 2.2616 2.4432 2.4432 2.4848 2.4848 2.6228 2.6228 2.7797 2.7797 2.9642 2.9642 3.2774 3.2774 5.0842 5.0842 6.7354 6.7354 7.6195 7.6195 8.0625 8.0625 9.0317 9.0317 9.4461 9.4461 10.2712 10.2712 12.4096 12.4096 13.3945 13.3945 16.1416 16.1416 k = 0.4067 0.4349-0.0000 ( 2332 PWs) bands (ev): -0.9667 -0.9667 -0.5341 -0.5341 1.7792 1.7792 1.8300 1.8300 2.1483 2.1483 2.2762 2.2762 2.4495 2.4495 2.4831 2.4831 2.6275 2.6275 2.7837 2.7837 3.0304 3.0304 3.2887 3.2887 5.0678 5.0678 6.6013 6.6013 7.6778 7.6778 8.1113 8.1113 9.0066 9.0066 9.4105 9.4105 10.1915 10.1915 12.2370 12.2370 13.3837 13.3837 16.0217 16.0217 k = 0.4155 0.4444-0.0000 ( 2332 PWs) bands (ev): -0.9582 -0.9582 -0.5492 -0.5492 1.7811 1.7811 1.8297 1.8297 2.1554 2.1554 2.2892 2.2892 2.4552 2.4552 2.4817 2.4817 2.6313 2.6313 2.7875 2.7875 3.1005 3.1005 3.2997 3.2997 5.0560 5.0560 6.4662 6.4662 7.7385 7.7385 8.1560 8.1560 8.9845 8.9845 9.3766 9.3766 10.1202 10.1202 12.0733 12.0733 13.3760 13.3760 15.9095 15.9095 k = 0.4244 0.4539-0.0000 ( 2332 PWs) bands (ev): -0.9510 -0.9510 -0.5631 -0.5631 1.7830 1.7830 1.8292 1.8292 2.1615 2.1615 2.3006 2.3006 2.4602 2.4602 2.4804 2.4804 2.6345 2.6345 2.7910 2.7910 3.1727 3.1727 3.3102 3.3102 5.0494 5.0494 6.3311 6.3311 7.8006 7.8006 8.1961 8.1961 8.9655 8.9655 9.3445 9.3445 10.0570 10.0570 11.9196 11.9196 13.3713 13.3713 15.8055 15.8055 k = 0.4332 0.4633-0.0000 ( 2332 PWs) bands (ev): -0.9450 -0.9450 -0.5757 -0.5757 1.7848 1.7848 1.8287 1.8287 2.1668 2.1668 2.3103 2.3103 2.4646 2.4646 2.4794 2.4794 2.6371 2.6371 2.7942 2.7942 3.2450 3.2450 3.3203 3.3203 5.0488 5.0488 6.1972 6.1972 7.8630 7.8630 8.2308 8.2308 8.9499 8.9499 9.3143 9.3143 10.0017 10.0017 11.7771 11.7771 13.3690 13.3690 15.7103 15.7103 k = 0.4421 0.4728-0.0000 ( 2334 PWs) bands (ev): -0.9400 -0.9400 -0.5870 -0.5870 1.7865 1.7865 1.8281 1.8281 2.1713 2.1713 2.3186 2.3186 2.4682 2.4682 2.4788 2.4788 2.6392 2.6392 2.7970 2.7970 3.3122 3.3122 3.3331 3.3331 5.0550 5.0550 6.0657 6.0657 7.9248 7.9248 8.2596 8.2596 8.9379 8.9379 9.2858 9.2858 9.9540 9.9540 11.6473 11.6473 13.3688 13.3688 15.6247 15.6247 k = 0.4509 0.4822-0.0000 ( 2320 PWs) bands (ev): -0.9359 -0.9359 -0.5968 -0.5968 1.7881 1.7881 1.8275 1.8275 2.1752 2.1752 2.3256 2.3256 2.4707 2.4707 2.4788 2.4788 2.6408 2.6408 2.7994 2.7994 3.3341 3.3341 3.3865 3.3865 5.0689 5.0689 5.9377 5.9377 7.9846 7.9846 8.2819 8.2819 8.9296 8.9296 9.2593 9.2593 9.9135 9.9135 11.5315 11.5315 13.3701 13.3701 15.5493 15.5493 k = 0.4597 0.4917-0.0000 ( 2324 PWs) bands (ev): -0.9327 -0.9327 -0.6051 -0.6051 1.7895 1.7895 1.8269 1.8269 2.1784 2.1784 2.3313 2.3313 2.4721 2.4721 2.4794 2.4794 2.6421 2.6421 2.8015 2.8015 3.3416 3.3416 3.4473 3.4473 5.0916 5.0916 5.8146 5.8146 8.0413 8.0413 8.2971 8.2971 8.9250 8.9250 9.2350 9.2350 9.8801 9.8801 11.4314 11.4314 13.3724 13.3724 15.4848 15.4848 k = 0.4686 0.5011-0.0000 ( 2324 PWs) bands (ev): -0.9303 -0.9303 -0.6118 -0.6118 1.7907 1.7907 1.8264 1.8264 2.1810 2.1810 2.3358 2.3358 2.4726 2.4726 2.4806 2.4806 2.6431 2.6431 2.8032 2.8032 3.3472 3.3472 3.5003 3.5003 5.1239 5.1239 5.6977 5.6977 8.0935 8.0935 8.3048 8.3048 8.9236 8.9236 9.2135 9.2135 9.8536 9.8536 11.3485 11.3485 13.3751 13.3751 15.4320 15.4320 k = 0.4686 0.5011-0.0000 ( 2324 PWs) bands (ev): -0.9303 -0.9303 -0.6118 -0.6118 1.7907 1.7907 1.8264 1.8264 2.1810 2.1810 2.3358 2.3358 2.4726 2.4726 2.4806 2.4806 2.6431 2.6431 2.8032 2.8032 3.3472 3.3472 3.5003 3.5003 5.1239 5.1239 5.6977 5.6977 8.0935 8.0935 8.3048 8.3048 8.9236 8.9236 9.2135 9.2135 9.8536 9.8536 11.3485 11.3485 13.3751 13.3751 15.4320 15.4320 k = 0.4559 0.5011-0.0000 ( 2326 PWs) bands (ev): -0.9322 -0.9322 -0.6072 -0.6072 1.7899 1.7899 1.8267 1.8267 2.1789 2.1789 2.3327 2.3327 2.4715 2.4715 2.4804 2.4804 2.6424 2.6424 2.8019 2.8019 3.3383 3.3383 3.4682 3.4682 5.1049 5.1049 5.7768 5.7768 8.0590 8.0590 8.2997 8.2997 8.9231 8.9231 9.2240 9.2240 9.8771 9.8771 11.4040 11.4040 13.3772 13.3772 15.4665 15.4665 k = 0.4433 0.5011-0.0000 ( 2326 PWs) bands (ev): -0.9350 -0.9350 -0.6016 -0.6016 1.7890 1.7890 1.8271 1.8271 2.1757 2.1757 2.3288 2.3288 2.4690 2.4690 2.4810 2.4810 2.6412 2.6412 2.8001 2.8001 3.3182 3.3182 3.4370 3.4370 5.0977 5.0977 5.8620 5.8620 8.0220 8.0220 8.2907 8.2907 8.9205 8.9205 9.2284 9.2284 9.9173 9.9173 11.4712 11.4712 13.3870 13.3870 15.5076 15.5076 k = 0.4306 0.5011-0.0000 ( 2325 PWs) bands (ev): -0.9385 -0.9385 -0.5950 -0.5950 1.7881 1.7881 1.8275 1.8275 2.1714 2.1714 2.3239 2.3239 2.4658 2.4658 2.4816 2.4816 2.6396 2.6396 2.7976 2.7976 3.2882 3.2882 3.4065 3.4065 5.1017 5.1017 5.9527 5.9527 7.9840 7.9840 8.2793 8.2793 8.9147 8.9147 9.2265 9.2265 9.9743 9.9743 11.5490 11.5490 13.4047 13.4047 15.5550 15.5550 k = 0.4179 0.5011-0.0000 ( 2324 PWs) bands (ev): -0.9428 -0.9428 -0.5875 -0.5875 1.7871 1.7871 1.8278 1.8278 2.1658 2.1658 2.3181 2.3181 2.4622 2.4622 2.4822 2.4822 2.6375 2.6375 2.7945 2.7945 3.2512 3.2512 3.3754 3.3754 5.1157 5.1157 6.0479 6.0479 7.9462 7.9462 8.2666 8.2666 8.9053 8.9053 9.2190 9.2190 10.0468 10.0468 11.6364 11.6364 13.4302 13.4302 15.6087 15.6087 k = 0.4053 0.5011-0.0000 ( 2326 PWs) bands (ev): -0.9477 -0.9477 -0.5793 -0.5793 1.7861 1.7861 1.8281 1.8281 2.1591 2.1591 2.3112 2.3112 2.4585 2.4585 2.4825 2.4825 2.6350 2.6350 2.7908 2.7908 3.2099 3.2099 3.3425 3.3425 5.1384 5.1384 6.1469 6.1469 7.9100 7.9100 8.2534 8.2534 8.8927 8.8927 9.2069 9.2069 10.1333 10.1333 11.7326 11.7326 13.4635 13.4635 15.6684 15.6684 k = 0.3926 0.5011-0.0000 ( 2324 PWs) bands (ev): -0.9530 -0.9530 -0.5704 -0.5704 1.7850 1.7850 1.8283 1.8283 2.1512 2.1512 2.3031 2.3031 2.4545 2.4545 2.4826 2.4826 2.6321 2.6321 2.7864 2.7864 3.1665 3.1665 3.3076 3.3076 5.1681 5.1681 6.2488 6.2488 7.8766 7.8766 8.2403 8.2403 8.8775 8.8775 9.1911 9.1911 10.2318 10.2318 11.8367 11.8367 13.5044 13.5044 15.7339 15.7339 k = 0.3799 0.5011-0.0000 ( 2322 PWs) bands (ev): -0.9587 -0.9587 -0.5610 -0.5610 1.7839 1.7839 1.8284 1.8284 2.1421 2.1421 2.2939 2.2939 2.4502 2.4502 2.4825 2.4825 2.6286 2.6286 2.7813 2.7813 3.1223 3.1223 3.2710 3.2710 5.2032 5.2032 6.3528 6.3528 7.8473 7.8473 8.2276 8.2276 8.8608 8.8608 9.1724 9.1724 10.3406 10.3406 11.9479 11.9479 13.5528 13.5528 15.8052 15.8052 k = 0.3673 0.5011-0.0000 ( 2322 PWs) bands (ev): -0.9648 -0.9648 -0.5511 -0.5511 1.7827 1.7827 1.8284 1.8284 2.1318 2.1318 2.2835 2.2835 2.4458 2.4458 2.4824 2.4824 2.6247 2.6247 2.7755 2.7755 3.0783 3.0783 3.2333 3.2333 5.2419 5.2419 6.4580 6.4580 7.8232 7.8232 8.2156 8.2156 8.8438 8.8438 9.1517 9.1517 10.4581 10.4581 12.0656 12.0656 13.6084 13.6084 15.8821 15.8821 k = 0.3546 0.5011-0.0000 ( 2324 PWs) bands (ev): -0.9710 -0.9710 -0.5409 -0.5409 1.7816 1.7816 1.8282 1.8282 2.1204 2.1204 2.2718 2.2718 2.4410 2.4410 2.4823 2.4823 2.6203 2.6203 2.7690 2.7690 3.0353 3.0353 3.1954 3.1954 5.2826 5.2826 6.5637 6.5637 7.8053 7.8053 8.2046 8.2046 8.8276 8.8276 9.1296 9.1296 10.5832 10.5832 12.1892 12.1892 13.6711 13.6711 15.9643 15.9643 k = 0.3419 0.5011-0.0000 ( 2324 PWs) bands (ev): -0.9774 -0.9774 -0.5304 -0.5304 1.7804 1.7804 1.8278 1.8278 2.1078 2.1078 2.2588 2.2588 2.4358 2.4358 2.4822 2.4822 2.6154 2.6154 2.7617 2.7617 2.9937 2.9937 3.1580 3.1580 5.3237 5.3237 6.6687 6.6687 7.7944 7.7944 8.1950 8.1950 8.8132 8.8132 9.1070 9.1070 10.7148 10.7148 12.3181 12.3181 13.7406 13.7406 16.0517 16.0517 k = 0.3293 0.5011-0.0000 ( 2330 PWs) bands (ev): -0.9839 -0.9839 -0.5197 -0.5197 1.7791 1.7791 1.8272 1.8272 2.0941 2.0941 2.2445 2.2445 2.4301 2.4301 2.4823 2.4823 2.6100 2.6100 2.7535 2.7535 2.9539 2.9539 3.1218 3.1218 5.3639 5.3639 6.7719 6.7719 7.7913 7.7913 8.1868 8.1868 8.8015 8.8015 9.0848 9.0848 10.8522 10.8522 12.4518 12.4518 13.8166 13.8166 16.1441 16.1441 k = 0.3166 0.5011-0.0000 ( 2332 PWs) bands (ev): -0.9905 -0.9905 -0.5089 -0.5089 1.7778 1.7778 1.8264 1.8264 2.0795 2.0795 2.2288 2.2288 2.4238 2.4238 2.4826 2.4826 2.6041 2.6041 2.7446 2.7446 2.9163 2.9163 3.0875 3.0875 5.4020 5.4020 6.8722 6.8722 7.7965 7.7965 8.1805 8.1805 8.7928 8.7928 9.0644 9.0644 10.9947 10.9947 12.5899 12.5899 13.8988 13.8988 16.2413 16.2413 k = 0.3039 0.5011-0.0000 ( 2331 PWs) bands (ev): -0.9970 -0.9970 -0.4981 -0.4981 1.7765 1.7765 1.8253 1.8253 2.0639 2.0639 2.2118 2.2118 2.4168 2.4168 2.4831 2.4831 2.5978 2.5978 2.7350 2.7350 2.8811 2.8811 3.0554 3.0554 5.4369 5.4369 6.9681 6.9681 7.8102 7.8102 8.1764 8.1764 8.7869 8.7869 9.0482 9.0482 11.1418 11.1418 12.7317 12.7317 13.9870 13.9870 16.3431 16.3431 k = 0.2913 0.5011-0.0000 ( 2334 PWs) bands (ev): -1.0035 -1.0035 -0.4872 -0.4872 1.7751 1.7751 1.8238 1.8238 2.0477 2.0477 2.1936 2.1936 2.4090 2.4090 2.4839 2.4839 2.5911 2.5911 2.7247 2.7247 2.8485 2.8485 3.0260 3.0260 5.4679 5.4679 7.0581 7.0581 7.8323 7.8323 8.1752 8.1752 8.7824 8.7824 9.0392 9.0392 11.2929 11.2929 12.8768 12.8768 14.0808 14.0808 16.4491 16.4491 k = 0.2786 0.5011-0.0000 ( 2337 PWs) bands (ev): -1.0100 -1.0100 -0.4764 -0.4764 1.7736 1.7736 1.8221 1.8221 2.0308 2.0308 2.1743 2.1743 2.4004 2.4004 2.4851 2.4851 2.5841 2.5841 2.7138 2.7138 2.8186 2.8186 2.9993 2.9993 5.4944 5.4944 7.1407 7.1407 7.8621 7.8621 8.1779 8.1779 8.7767 8.7767 9.0418 9.0418 11.4477 11.4477 13.0244 13.0244 14.1799 14.1799 16.5589 16.5589 k = 0.2660 0.5011-0.0000 ( 2338 PWs) bands (ev): -1.0163 -1.0163 -0.4657 -0.4657 1.7720 1.7720 1.8199 1.8199 2.0135 2.0135 2.1539 2.1539 2.3910 2.3910 2.4865 2.4865 2.5768 2.5768 2.7025 2.7025 2.7915 2.7915 2.9753 2.9753 5.5163 5.5163 7.2144 7.2144 7.8977 7.8977 8.1865 8.1865 8.7673 8.7673 9.0603 9.0603 11.6056 11.6056 13.1738 13.1738 14.2842 14.2842 16.6703 16.6703 k = 0.2533 0.5011-0.0000 ( 2342 PWs) bands (ev): -1.0225 -1.0225 -0.4552 -0.4552 1.7704 1.7704 1.8173 1.8173 1.9961 1.9961 2.1327 2.1327 2.3808 2.3808 2.4883 2.4883 2.5693 2.5693 2.6910 2.6910 2.7671 2.7671 2.9541 2.9541 5.5335 5.5335 7.2782 7.2782 7.9358 7.9358 8.2042 8.2042 8.7526 8.7526 9.0972 9.0972 11.7662 11.7662 13.3241 13.3241 14.3932 14.3932 16.7284 16.7284 k = 0.2406 0.5011-0.0000 ( 2339 PWs) bands (ev): -1.0285 -1.0285 -0.4449 -0.4449 1.7686 1.7686 1.8142 1.8142 1.9787 1.9787 2.1109 2.1109 2.3699 2.3699 2.4903 2.4903 2.5618 2.5618 2.6795 2.6795 2.7454 2.7454 2.9352 2.9352 5.5461 5.5461 7.3317 7.3317 7.9710 7.9710 8.2357 8.2357 8.7335 8.7335 9.1526 9.1526 11.9290 11.9290 13.4737 13.4737 14.5068 14.5068 16.5300 16.5300 k = 0.2280 0.5011-0.0000 ( 2339 PWs) bands (ev): -1.0343 -1.0343 -0.4348 -0.4348 1.7666 1.7666 1.8105 1.8105 1.9616 1.9616 2.0888 2.0888 2.3586 2.3586 2.4926 2.4926 2.5541 2.5541 2.6681 2.6681 2.7263 2.7263 2.9186 2.9186 5.5546 5.5546 7.3751 7.3751 7.9983 7.9983 8.2849 8.2849 8.7117 8.7117 9.2251 9.2251 12.0936 12.0936 13.6206 13.6206 14.6245 14.6245 16.3149 16.3149 k = 0.2153 0.5011-0.0000 ( 2339 PWs) bands (ev): -1.0400 -1.0400 -0.4251 -0.4251 1.7644 1.7644 1.8061 1.8061 1.9450 1.9450 2.0667 2.0667 2.3469 2.3469 2.4950 2.4950 2.5465 2.5465 2.6570 2.6570 2.7097 2.7097 2.9039 2.9039 5.5594 5.5594 7.4093 7.4093 8.0159 8.0159 8.3510 8.3510 8.6901 8.6901 9.3127 9.3127 12.2592 12.2592 13.7617 13.7617 14.7462 14.7462 16.1098 16.1098 k = 0.2026 0.5011-0.0000 ( 2338 PWs) bands (ev): -1.0454 -1.0454 -0.4156 -0.4156 1.7620 1.7620 1.8010 1.8010 1.9291 1.9291 2.0448 2.0448 2.3351 2.3351 2.4976 2.4976 2.5388 2.5388 2.6465 2.6465 2.6952 2.6952 2.8909 2.8909 5.5610 5.5610 7.4354 7.4354 8.0259 8.0259 8.4272 8.4272 8.6736 8.6736 9.4134 9.4134 12.4252 12.4252 13.8923 13.8923 14.8714 14.8714 15.9212 15.9212 k = 0.1900 0.5011-0.0000 ( 2342 PWs) bands (ev): -1.0505 -1.0505 -0.4066 -0.4066 1.7593 1.7593 1.7953 1.7953 1.9142 1.9142 2.0236 2.0236 2.3233 2.3233 2.5000 2.5000 2.5313 2.5313 2.6367 2.6367 2.6828 2.6828 2.8793 2.8793 5.5598 5.5598 7.4548 7.4548 8.0308 8.0308 8.4960 8.4960 8.6768 8.6768 9.5251 9.5251 12.5905 12.5905 14.0046 14.0046 14.9996 14.9996 15.7575 15.7575 k = 0.1773 0.5011-0.0000 ( 2342 PWs) bands (ev): -1.0554 -1.0554 -0.3979 -0.3979 1.7562 1.7562 1.7889 1.7889 1.9002 1.9002 2.0033 2.0033 2.3117 2.3117 2.5021 2.5021 2.5242 2.5242 2.6278 2.6278 2.6720 2.6720 2.8689 2.8689 5.5566 5.5566 7.4688 7.4688 8.0328 8.0328 8.5262 8.5262 8.7281 8.7281 9.6460 9.6460 12.7538 12.7538 14.0872 14.0872 15.1301 15.1301 15.6311 15.6311 k = 0.1646 0.5011-0.0000 ( 2340 PWs) bands (ev): -1.0600 -1.0600 -0.3898 -0.3898 1.7525 1.7525 1.7821 1.7821 1.8872 1.8872 1.9844 1.9844 2.3006 2.3006 2.5026 2.5026 2.5187 2.5187 2.6198 2.6198 2.6628 2.6628 2.8596 2.8596 5.5516 5.5516 7.4786 7.4786 8.0330 8.0330 8.5202 8.5202 8.8234 8.8234 9.7743 9.7743 12.9134 12.9134 14.1263 14.1263 15.2611 15.2611 15.5576 15.5576 k = 0.1520 0.5011-0.0000 ( 2344 PWs) bands (ev): -1.0643 -1.0643 -0.3820 -0.3820 1.7482 1.7482 1.7751 1.7751 1.8751 1.8751 1.9671 1.9671 2.2899 2.2899 2.4997 2.4997 2.5167 2.5167 2.6127 2.6127 2.6549 2.6549 2.8511 2.8511 5.5455 5.5455 7.4850 7.4850 8.0323 8.0323 8.5014 8.5014 8.9379 8.9379 9.9082 9.9082 13.0667 13.0667 14.1122 14.1122 15.3878 15.3878 15.5512 15.5512 k = 0.1393 0.5011-0.0000 ( 2338 PWs) bands (ev): -1.0684 -1.0684 -0.3748 -0.3748 1.7430 1.7430 1.7684 1.7684 1.8637 1.8637 1.9518 1.9518 2.2798 2.2798 2.4939 2.4939 2.5178 2.5178 2.6064 2.6064 2.6481 2.6481 2.8435 2.8435 5.5386 5.5386 7.4889 7.4889 8.0312 8.0312 8.4788 8.4788 9.0611 9.0611 10.0460 10.0460 13.2096 13.2096 14.0478 14.0478 15.5003 15.5003 15.6180 15.6180 k = 0.1266 0.5011-0.0000 ( 2340 PWs) bands (ev): -1.0721 -1.0721 -0.3681 -0.3681 1.7370 1.7370 1.7622 1.7622 1.8529 1.8529 1.9386 1.9386 2.2704 2.2704 2.4870 2.4870 2.5202 2.5202 2.6009 2.6009 2.6425 2.6425 2.8366 2.8366 5.5312 5.5312 7.4910 7.4910 8.0301 8.0301 8.4555 8.4555 9.1886 9.1886 10.1861 10.1861 13.3357 13.3357 13.9492 13.9492 15.5993 15.5993 15.7370 15.7370 k = 0.1140 0.5011-0.0000 ( 2342 PWs) bands (ev): -1.0755 -1.0755 -0.3620 -0.3620 1.7304 1.7304 1.7565 1.7565 1.8427 1.8427 1.9276 1.9276 2.2617 2.2617 2.4801 2.4801 2.5229 2.5229 2.5960 2.5960 2.6379 2.6379 2.8303 2.8303 5.5238 5.5238 7.4917 7.4917 8.0291 8.0291 8.4327 8.4327 9.3179 9.3179 10.3268 10.3268 13.4313 13.4313 13.8408 13.8408 15.6708 15.6708 15.8708 15.8708 k = 0.1013 0.5011-0.0000 ( 2344 PWs) bands (ev): -1.0785 -1.0785 -0.3565 -0.3565 1.7235 1.7235 1.7512 1.7512 1.8333 1.8333 1.9187 1.9187 2.2539 2.2539 2.4735 2.4735 2.5258 2.5258 2.5915 2.5915 2.6342 2.6342 2.8247 2.8247 5.5165 5.5165 7.4915 7.4915 8.0285 8.0285 8.4110 8.4110 9.4468 9.4468 10.4660 10.4660 13.4634 13.4634 13.7620 13.7620 15.6603 15.6603 15.9691 15.9691 k = 0.0887 0.5011-0.0000 ( 2334 PWs) bands (ev): -1.0812 -1.0812 -0.3516 -0.3516 1.7168 1.7168 1.7463 1.7463 1.8246 1.8246 1.9116 1.9116 2.2469 2.2469 2.4674 2.4674 2.5287 2.5287 2.5873 2.5873 2.6313 2.6313 2.8197 2.8197 5.5095 5.5095 7.4907 7.4907 8.0281 8.0281 8.3910 8.3910 9.5731 9.5731 10.6016 10.6016 13.4014 13.4014 13.7469 13.7469 15.6206 15.6206 16.0889 16.0889 k = 0.0760 0.5011-0.0000 ( 2330 PWs) bands (ev): -1.0836 -1.0836 -0.3473 -0.3473 1.7106 1.7106 1.7416 1.7416 1.8171 1.8171 1.9060 1.9060 2.2408 2.2408 2.4619 2.4619 2.5316 2.5316 2.5834 2.5834 2.6291 2.6291 2.8154 2.8154 5.5032 5.5032 7.4895 7.4895 8.0281 8.0281 8.3729 8.3729 9.6941 9.6941 10.7309 10.7309 13.2887 13.2887 13.7551 13.7551 15.6063 15.6063 16.2214 16.2214 k = 0.0633 0.5011-0.0000 ( 2331 PWs) bands (ev): -1.0856 -1.0856 -0.3436 -0.3436 1.7051 1.7051 1.7371 1.7371 1.8107 1.8107 1.9017 1.9017 2.2355 2.2355 2.4572 2.4572 2.5343 2.5343 2.5799 2.5799 2.6276 2.6276 2.8116 2.8116 5.4976 5.4976 7.4883 7.4883 8.0283 8.0283 8.3570 8.3570 9.8070 9.8070 10.8508 10.8508 13.1679 13.1679 13.7508 13.7508 15.6293 15.6293 16.3527 16.3527 k = 0.0507 0.5011-0.0000 ( 2333 PWs) bands (ev): -1.0873 -1.0873 -0.3406 -0.3406 1.7004 1.7004 1.7331 1.7331 1.8055 1.8055 1.8984 1.8984 2.2312 2.2312 2.4532 2.4532 2.5368 2.5368 2.5766 2.5766 2.6265 2.6265 2.8085 2.8085 5.4928 5.4928 7.4870 7.4870 8.0287 8.0287 8.3436 8.3436 9.9082 9.9082 10.9577 10.9577 13.0552 13.0552 13.7294 13.7294 15.6862 15.6862 16.4762 16.4762 k = 0.0380 0.5011-0.0000 ( 2332 PWs) bands (ev): -1.0886 -1.0886 -0.3382 -0.3382 1.6968 1.6968 1.7296 1.7296 1.8016 1.8016 1.8961 1.8961 2.2279 2.2279 2.4500 2.4500 2.5391 2.5391 2.5738 2.5738 2.6258 2.6258 2.8061 2.8061 5.4890 5.4890 7.4859 7.4859 8.0292 8.0292 8.3328 8.3328 9.9937 9.9937 11.0475 11.0475 12.9593 12.9593 13.6979 13.6979 15.7666 15.7666 16.5861 16.5861 k = 0.0253 0.5011-0.0000 ( 2328 PWs) bands (ev): -1.0895 -1.0895 -0.3365 -0.3365 1.6942 1.6942 1.7270 1.7270 1.7989 1.7989 1.8945 1.8945 2.2254 2.2254 2.4477 2.4477 2.5410 2.5410 2.5715 2.5715 2.6254 2.6254 2.8043 2.8043 5.4862 5.4862 7.4851 7.4851 8.0297 8.0297 8.3250 8.3250 10.0590 10.0590 11.1157 11.1157 12.8860 12.8860 13.6659 13.6659 15.8546 15.8546 16.6752 16.6752 k = 0.0127 0.5011-0.0000 ( 2324 PWs) bands (ev): -1.0901 -1.0901 -0.3355 -0.3355 1.6926 1.6926 1.7253 1.7253 1.7973 1.7973 1.8936 1.8936 2.2240 2.2240 2.4463 2.4463 2.5422 2.5422 2.5700 2.5700 2.6252 2.6252 2.8033 2.8033 5.4845 5.4845 7.4846 7.4846 8.0300 8.0300 8.3202 8.3202 10.1002 10.1002 11.1586 11.1586 12.8400 12.8400 13.6426 13.6426 15.9273 15.9273 16.7361 16.7362 k = 0.0000 0.5011-0.0000 ( 2322 PWs) bands (ev): -1.0902 -1.0902 -0.3351 -0.3351 1.6921 1.6921 1.7247 1.7247 1.7968 1.7968 1.8933 1.8933 2.2235 2.2235 2.4459 2.4459 2.5427 2.5427 2.5695 2.5695 2.6251 2.6251 2.8029 2.8029 5.4840 5.4840 7.4844 7.4844 8.0301 8.0301 8.3186 8.3186 10.1143 10.1143 11.1732 11.1732 12.8243 12.8243 13.6342 13.6342 15.9567 15.9567 16.7630 16.7630 k = 0.0000 0.5011-0.0000 ( 2322 PWs) bands (ev): -1.0902 -1.0902 -0.3351 -0.3351 1.6921 1.6921 1.7247 1.7247 1.7968 1.7968 1.8933 1.8933 2.2235 2.2235 2.4459 2.4459 2.5427 2.5427 2.5695 2.5695 2.6251 2.6251 2.8029 2.8029 5.4840 5.4840 7.4844 7.4844 8.0301 8.0301 8.3186 8.3186 10.1143 10.1143 11.1732 11.1732 12.8243 12.8243 13.6342 13.6342 15.9567 15.9567 16.7630 16.7630 k = 0.0000 0.5011 0.0129 ( 2324 PWs) bands (ev): -1.0893 -1.0893 -0.3347 -0.3347 1.6921 1.6921 1.7247 1.7247 1.7963 1.7963 1.8935 1.8935 2.2230 2.2230 2.4457 2.4457 2.5421 2.5421 2.5696 2.5696 2.6252 2.6252 2.8033 2.8033 5.4800 5.4800 7.4530 7.4530 8.0304 8.0304 8.3583 8.3583 10.1154 10.1154 11.1729 11.1729 12.8276 12.8276 13.6364 13.6364 15.9491 15.9491 16.6187 16.6187 k = 0.0000 0.5011 0.0257 ( 2330 PWs) bands (ev): -1.0866 -1.0866 -0.3333 -0.3333 1.6923 1.6923 1.7248 1.7248 1.7948 1.7948 1.8943 1.8943 2.2216 2.2216 2.4452 2.4452 2.5405 2.5405 2.5700 2.5700 2.6255 2.6255 2.8043 2.8043 5.4684 5.4684 7.3693 7.3693 8.0391 8.0391 8.4585 8.4585 10.1188 10.1188 11.1720 11.1720 12.8376 12.8376 13.6430 13.6430 15.9264 15.9264 16.4625 16.4625 k = 0.0000 0.5011 0.0386 ( 2336 PWs) bands (ev): -1.0822 -1.0822 -0.3311 -0.3311 1.6925 1.6925 1.7249 1.7249 1.7924 1.7924 1.8955 1.8955 2.2192 2.2192 2.4444 2.4444 2.5379 2.5379 2.5707 2.5707 2.6258 2.6258 2.8059 2.8059 5.4495 5.4495 7.2537 7.2537 8.0629 8.0629 8.5917 8.5917 10.1244 10.1244 11.1705 11.1705 12.8543 12.8543 13.6541 13.6541 15.8891 15.8891 16.3084 16.3084 k = 0.0000 0.5011 0.0515 ( 2338 PWs) bands (ev): -1.0759 -1.0759 -0.3280 -0.3280 1.6927 1.6927 1.7250 1.7250 1.7892 1.7892 1.8971 1.8971 2.2160 2.2160 2.4432 2.4432 2.5347 2.5347 2.5715 2.5715 2.6263 2.6263 2.8080 2.8080 5.4239 5.4239 7.1215 7.1215 8.1014 8.1014 8.7422 8.7422 10.1323 10.1323 11.1684 11.1684 12.8775 12.8775 13.6696 13.6696 15.8372 15.8372 16.1593 16.1593 k = 0.0000 0.5011 0.0643 ( 2340 PWs) bands (ev): -1.0678 -1.0678 -0.3241 -0.3241 1.6930 1.6930 1.7252 1.7252 1.7852 1.7852 1.8990 1.8990 2.2121 2.2121 2.4417 2.4417 2.5310 2.5310 2.5725 2.5725 2.6269 2.6269 2.8105 2.8105 5.3925 5.3925 6.9813 6.9813 8.1527 8.1527 8.9021 8.9021 10.1429 10.1429 11.1656 11.1656 12.9074 12.9074 13.6897 13.6897 15.7685 15.7685 16.0201 16.0201 k = 0.0000 0.5011 0.0772 ( 2336 PWs) bands (ev): -1.0581 -1.0581 -0.3196 -0.3196 1.6930 1.6930 1.7254 1.7254 1.7804 1.7804 1.9012 1.9012 2.2076 2.2076 2.4397 2.4397 2.5270 2.5270 2.5737 2.5737 2.6275 2.6275 2.8130 2.8130 5.3561 5.3561 6.8379 6.8379 8.2150 8.2150 9.0667 9.0667 10.1562 10.1562 11.1622 11.1622 12.9437 12.9437 13.7141 13.7141 15.6782 15.6782 15.8983 15.8983 k = 0.0000 0.5011 0.0901 ( 2336 PWs) bands (ev): -1.0466 -1.0466 -0.3146 -0.3146 1.6929 1.6929 1.7258 1.7258 1.7752 1.7752 1.9035 1.9035 2.2027 2.2027 2.4374 2.4374 2.5231 2.5231 2.5750 2.5750 2.6281 2.6281 2.8155 2.8155 5.3157 5.3157 6.6941 6.6941 8.2870 8.2870 9.2332 9.2332 10.1728 10.1728 11.1581 11.1581 12.9865 12.9865 13.7431 13.7431 15.5640 15.5640 15.7987 15.7987 k = 0.0000 0.5011 0.1029 ( 2334 PWs) bands (ev): -1.0334 -1.0334 -0.3092 -0.3092 1.6924 1.6924 1.7263 1.7263 1.7696 1.7696 1.9060 1.9060 2.1976 2.1976 2.4345 2.4345 2.5193 2.5193 2.5765 2.5765 2.6286 2.6286 2.8178 2.8178 5.2721 5.2721 6.5514 6.5514 8.3673 8.3673 9.3989 9.3989 10.1936 10.1936 11.1533 11.1533 13.0357 13.0357 13.7764 13.7764 15.4330 15.4330 15.7165 15.7165 k = 0.0000 0.5011 0.1158 ( 2336 PWs) bands (ev): -1.0186 -1.0186 -0.3035 -0.3035 1.6913 1.6913 1.7269 1.7269 1.7639 1.7639 1.9084 1.9084 2.1924 2.1924 2.4312 2.4312 2.5159 2.5159 2.5782 2.5782 2.6291 2.6291 2.8198 2.8198 5.2263 5.2263 6.4110 6.4110 8.4549 8.4549 9.5610 9.5610 10.2197 10.2197 11.1480 11.1480 13.0910 13.0910 13.8141 13.8141 15.2946 15.2946 15.6445 15.6445 k = 0.0000 0.5011 0.1287 ( 2336 PWs) bands (ev): -1.0021 -1.0021 -0.2978 -0.2978 1.6896 1.6896 1.7276 1.7276 1.7584 1.7584 1.9108 1.9108 2.1874 2.1874 2.4273 2.4273 2.5131 2.5131 2.5800 2.5800 2.6296 2.6296 2.8213 2.8213 5.1789 5.1789 6.2735 6.2735 8.5489 8.5489 9.7156 9.7156 10.2539 10.2539 11.1424 11.1424 13.1523 13.1523 13.8558 13.8558 15.1549 15.1549 15.5787 15.5787 k = 0.0000 0.5011 0.1416 ( 2336 PWs) bands (ev): -0.9841 -0.9841 -0.2923 -0.2923 1.6870 1.6870 1.7283 1.7283 1.7534 1.7534 1.9130 1.9130 2.1826 2.1826 2.4228 2.4228 2.5109 2.5109 2.5821 2.5821 2.6299 2.6299 2.8223 2.8223 5.1307 5.1307 6.1396 6.1396 8.6485 8.6485 9.8569 9.8569 10.3005 10.3005 11.1367 11.1367 13.2194 13.2194 13.9009 13.9009 15.0175 15.0175 15.5179 15.5179 k = 0.0000 0.5011 0.1544 ( 2334 PWs) bands (ev): -0.9646 -0.9646 -0.2871 -0.2871 1.6836 1.6836 1.7290 1.7290 1.7493 1.7493 1.9149 1.9149 2.1783 2.1783 2.4176 2.4176 2.5095 2.5095 2.5843 2.5843 2.6302 2.6302 2.8225 2.8225 5.0824 5.0824 6.0097 6.0097 8.7527 8.7527 9.9768 9.9768 10.3656 10.3656 11.1315 11.1315 13.2919 13.2919 13.9485 13.9485 14.8853 14.8853 15.4616 15.4616 k = 0.0000 0.5011 0.1673 ( 2342 PWs) bands (ev): -0.9437 -0.9437 -0.2825 -0.2825 1.6793 1.6793 1.7293 1.7293 1.7465 1.7465 1.9164 1.9164 2.1746 2.1746 2.4117 2.4117 2.5091 2.5091 2.5867 2.5867 2.6303 2.6303 2.8220 2.8220 5.0345 5.0345 5.8842 5.8842 8.8610 8.8610 10.0696 10.0696 10.4528 10.4528 11.1280 11.1280 13.3696 13.3696 13.9964 13.9964 14.7618 14.7618 15.4101 15.4101 k = 0.0000 0.5011 0.1802 ( 2344 PWs) bands (ev): -0.9214 -0.9214 -0.2787 -0.2787 1.6745 1.6745 1.7289 1.7289 1.7453 1.7453 1.9175 1.9175 2.1716 2.1716 2.4051 2.4051 2.5096 2.5096 2.5893 2.5893 2.6303 2.6303 2.8207 2.8207 4.9875 4.9875 5.7635 5.7635 8.9725 8.9725 10.1377 10.1377 10.5563 10.5563 11.1281 11.1281 13.4518 13.4518 14.0399 14.0399 14.6530 14.6530 15.3637 15.3637 k = 0.0000 0.5011 0.1930 ( 2340 PWs) bands (ev): -0.8977 -0.8977 -0.2760 -0.2760 1.6693 1.6693 1.7280 1.7280 1.7454 1.7454 1.9180 1.9180 2.1693 2.1693 2.3977 2.3977 2.5111 2.5111 2.5920 2.5920 2.6302 2.6302 2.8186 2.8186 4.9419 4.9419 5.6478 5.6478 9.0868 9.0868 10.1896 10.1896 10.6622 10.6622 11.1357 11.1357 13.5380 13.5380 14.0699 14.0699 14.5692 14.5692 15.3227 15.3227 k = 0.0000 0.5011 0.2059 ( 2340 PWs) bands (ev): -0.8729 -0.8729 -0.2747 -0.2747 1.6643 1.6643 1.7268 1.7268 1.7467 1.7467 1.9180 1.9180 2.1677 2.1677 2.3895 2.3895 2.5136 2.5136 2.5948 2.5948 2.6300 2.6300 2.8156 2.8156 4.8981 4.8981 5.5375 5.5375 9.2032 9.2032 10.2329 10.2329 10.7550 10.7550 11.1572 11.1572 13.6273 13.6273 14.0717 14.0717 14.5263 14.5263 15.2876 15.2876 k = 0.0000 0.5011 0.2188 ( 2336 PWs) bands (ev): -0.8469 -0.8469 -0.2748 -0.2748 1.6598 1.6598 1.7254 1.7254 1.7487 1.7487 1.9172 1.9172 2.1670 2.1670 2.3805 2.3805 2.5172 2.5172 2.5978 2.5978 2.6297 2.6297 2.8116 2.8116 4.8565 4.8565 5.4329 5.4329 9.3209 9.3209 10.2720 10.2720 10.8213 10.8213 11.1994 11.1994 13.7187 13.7187 14.0379 14.0379 14.5331 14.5331 15.2588 15.2588 k = 0.0000 0.5011 0.2316 ( 2340 PWs) bands (ev): -0.8199 -0.8199 -0.2768 -0.2768 1.6561 1.6561 1.7240 1.7240 1.7511 1.7511 1.9157 1.9157 2.1670 2.1670 2.3708 2.3708 2.5217 2.5217 2.6008 2.6008 2.6294 2.6294 2.8067 2.8067 4.8174 4.8174 5.3341 5.3341 9.4394 9.4394 10.3095 10.3095 10.8571 10.8571 11.2618 11.2618 13.8103 13.8103 13.9803 13.9803 14.5792 14.5792 15.2365 15.2365 k = 0.0000 0.5011 0.2445 ( 2342 PWs) bands (ev): -0.7920 -0.7920 -0.2807 -0.2807 1.6535 1.6535 1.7226 1.7226 1.7541 1.7541 1.9133 1.9133 2.1679 2.1679 2.3604 2.3604 2.5272 2.5272 2.6038 2.6038 2.6292 2.6292 2.8010 2.8010 4.7812 4.7812 5.2414 5.2414 9.5578 9.5578 10.3467 10.3467 10.8694 10.8694 11.3335 11.3335 13.8923 13.8923 13.9244 13.9244 14.6485 14.6485 15.2210 15.2210 k = 0.0000 0.5011 0.2574 ( 2348 PWs) bands (ev): -0.7633 -0.7633 -0.2867 -0.2867 1.6521 1.6521 1.7211 1.7211 1.7574 1.7574 1.9100 1.9100 2.1695 2.1695 2.3493 2.3493 2.5334 2.5334 2.6067 2.6067 2.6293 2.6293 2.7943 2.7943 4.7481 4.7481 5.1550 5.1550 9.6752 9.6752 10.3847 10.3847 10.8677 10.8677 11.4021 11.4021 13.8518 13.8518 13.9922 13.9922 14.7297 14.7297 15.2120 15.2120 k = 0.0000 0.5011 0.2702 ( 2348 PWs) bands (ev): -0.7339 -0.7339 -0.2949 -0.2949 1.6522 1.6522 1.7194 1.7194 1.7612 1.7612 1.9058 1.9058 2.1718 2.1718 2.3377 2.3377 2.5403 2.5403 2.6093 2.6093 2.6299 2.6299 2.7867 2.7867 4.7186 4.7186 5.0751 5.0751 9.7905 9.7905 10.4240 10.4240 10.8583 10.8583 11.4586 11.4586 13.8039 13.8039 14.0724 14.0724 14.8155 14.8155 15.2079 15.2079 k = 0.0000 0.5011 0.2831 ( 2346 PWs) bands (ev): -0.7041 -0.7041 -0.3055 -0.3055 1.6536 1.6536 1.7177 1.7177 1.7654 1.7654 1.9006 1.9006 2.1750 2.1750 2.3256 2.3256 2.5477 2.5477 2.6111 2.6111 2.6315 2.6315 2.7784 2.7784 4.6928 4.6928 5.0018 5.0018 9.9023 9.9023 10.4648 10.4648 10.8454 10.8454 11.4974 11.4974 13.7713 13.7713 14.1424 14.1424 14.8994 14.8994 15.2051 15.2051 k = 0.0000 0.5011 0.2960 ( 2346 PWs) bands (ev): -0.6738 -0.6738 -0.3183 -0.3183 1.6564 1.6564 1.7157 1.7157 1.7703 1.7703 1.8943 1.8943 2.1789 2.1789 2.3132 2.3132 2.5554 2.5554 2.6120 2.6120 2.6344 2.6344 2.7692 2.7692 4.6711 4.6711 4.9351 4.9351 10.0089 10.0089 10.5066 10.5066 10.8325 10.8325 11.5154 11.5154 13.7565 13.7565 14.1976 14.1976 14.9747 14.9747 15.1976 15.1976 k = 0.0000 0.5011 0.3088 ( 2356 PWs) bands (ev): -0.6433 -0.6433 -0.3335 -0.3335 1.6602 1.6602 1.7135 1.7135 1.7760 1.7760 1.8869 1.8869 2.1837 2.1837 2.3006 2.3006 2.5630 2.5630 2.6119 2.6119 2.6390 2.6390 2.7593 2.7593 4.6538 4.6538 4.8752 4.8752 10.1083 10.1083 10.5471 10.5471 10.8243 10.8243 11.5117 11.5117 13.7601 13.7601 14.2335 14.2335 15.0347 15.0347 15.1834 15.1834 k = 0.0000 0.5011 0.3217 ( 2350 PWs) bands (ev): -0.6128 -0.6128 -0.3509 -0.3509 1.6650 1.6650 1.7110 1.7110 1.7824 1.7824 1.8786 1.8786 2.1892 2.1892 2.2880 2.2880 2.5705 2.5705 2.6110 2.6110 2.6449 2.6449 2.7489 2.7489 4.6410 4.6410 4.8220 4.8220 10.1988 10.1988 10.5801 10.5801 10.8287 10.8287 11.4870 11.4870 13.7811 13.7811 14.2474 14.2474 15.0737 15.0737 15.1689 15.1689 k = 0.0000 0.5011 0.3346 ( 2350 PWs) bands (ev): -0.5825 -0.5825 -0.3704 -0.3704 1.6703 1.6703 1.7081 1.7081 1.7897 1.7897 1.8694 1.8694 2.1957 2.1957 2.2755 2.2755 2.5774 2.5774 2.6094 2.6094 2.6522 2.6522 2.7379 2.7379 4.6332 4.6332 4.7756 4.7756 10.2790 10.2790 10.5962 10.5962 10.8560 10.8560 11.4436 11.4436 13.8172 13.8172 14.2389 14.2389 15.0913 15.0913 15.1610 15.1610 k = 0.0000 0.5011 0.3474 ( 2352 PWs) bands (ev): -0.5525 -0.5525 -0.3920 -0.3920 1.6760 1.6760 1.7048 1.7048 1.7980 1.7980 1.8594 1.8594 2.2029 2.2029 2.2633 2.2633 2.5836 2.5836 2.6074 2.6074 2.6608 2.6608 2.7265 2.7265 4.6305 4.6305 4.7359 4.7359 10.3486 10.3486 10.5919 10.5919 10.9090 10.9090 11.3846 11.3846 13.8654 13.8654 14.2103 14.2103 15.0976 15.0976 15.1562 15.1562 k = 0.0000 0.5011 0.3603 ( 2352 PWs) bands (ev): -0.5231 -0.5231 -0.4153 -0.4153 1.6816 1.6816 1.7011 1.7011 1.8071 1.8071 1.8489 1.8489 2.2111 2.2111 2.2516 2.2516 2.5892 2.5892 2.6048 2.6048 2.6704 2.6704 2.7150 2.7150 4.6332 4.6332 4.7028 4.7028 10.4085 10.4085 10.5720 10.5720 10.9807 10.9807 11.3133 11.3133 13.9224 13.9224 14.1658 14.1658 15.1034 15.1034 15.1485 15.1485 k = 0.0000 0.5011 0.3732 ( 2354 PWs) bands (ev): -0.4944 -0.4944 -0.4404 -0.4404 1.6871 1.6871 1.6969 1.6969 1.8170 1.8170 1.8382 1.8382 2.2201 2.2201 2.2404 2.2404 2.5940 2.5940 2.6018 2.6018 2.6808 2.6808 2.7033 2.7033 4.6416 4.6416 4.6762 4.6762 10.4601 10.4601 10.5420 10.5420 11.0627 11.0627 11.2334 11.2334 13.9846 13.9846 14.1103 14.1103 15.1125 15.1125 15.1372 15.1372 k = 0.0000 0.5011 0.3861 ( 2344 PWs) bands (ev): -0.4668 -0.4668 -0.4668 -0.4668 1.6922 1.6922 1.6922 1.6922 1.8274 1.8274 1.8274 1.8274 2.2299 2.2299 2.2299 2.2299 2.5982 2.5982 2.5982 2.5982 2.6919 2.6919 2.6919 2.6919 4.6558 4.6558 4.6558 4.6558 10.5044 10.5044 10.5044 10.5044 11.1486 11.1486 11.1486 11.1486 14.0485 14.0485 14.0486 14.0486 15.1244 15.1244 15.1244 15.1244 k = 0.0000 0.5011 0.3861 ( 2344 PWs) bands (ev): -0.4668 -0.4668 -0.4668 -0.4668 1.6922 1.6922 1.6922 1.6922 1.8274 1.8274 1.8274 1.8274 2.2299 2.2299 2.2299 2.2299 2.5982 2.5982 2.5982 2.5982 2.6919 2.6919 2.6919 2.6919 4.6558 4.6558 4.6558 4.6558 10.5044 10.5044 10.5044 10.5044 11.1486 11.1486 11.1486 11.1486 14.0485 14.0485 14.0486 14.0486 15.1244 15.1244 15.1244 15.1244 k = 0.0127 0.5011 0.3861 ( 2350 PWs) bands (ev): -0.4672 -0.4672 -0.4668 -0.4668 1.6909 1.6909 1.6940 1.6940 1.8269 1.8269 1.8292 1.8292 2.2295 2.2295 2.2316 2.2316 2.5973 2.5973 2.5994 2.5994 2.6903 2.6903 2.6941 2.6941 4.6565 4.6565 4.6571 4.6571 10.4591 10.4591 10.5144 10.5144 11.1144 11.1144 11.1902 11.1902 14.0294 14.0294 14.0719 14.0719 15.1092 15.1092 15.1371 15.1371 k = 0.0253 0.5011 0.3861 ( 2348 PWs) bands (ev): -0.4681 -0.4681 -0.4673 -0.4673 1.6900 1.6900 1.6962 1.6962 1.8277 1.8277 1.8323 1.8323 2.2305 2.2305 2.2346 2.2346 2.5967 2.5967 2.6009 2.6009 2.6894 2.6894 2.6970 2.6970 4.6592 4.6592 4.6604 4.6604 10.3864 10.3864 10.4848 10.4848 11.0928 11.0928 11.2308 11.2308 14.0154 14.0154 14.0976 14.0976 15.0945 15.0945 15.1471 15.1471 k = 0.0380 0.5011 0.3861 ( 2354 PWs) bands (ev): -0.4694 -0.4694 -0.4682 -0.4682 1.6897 1.6897 1.6986 1.6986 1.8298 1.8298 1.8366 1.8366 2.2328 2.2328 2.2391 2.2391 2.5965 2.5965 2.6028 2.6028 2.6891 2.6891 2.7006 2.7006 4.6639 4.6639 4.6656 4.6656 10.2935 10.2935 10.4185 10.4185 11.0814 11.0814 11.2630 11.2630 14.0071 14.0071 14.1233 14.1233 15.0854 15.0854 15.1566 15.1566 k = 0.0507 0.5011 0.3861 ( 2352 PWs) bands (ev): -0.4712 -0.4712 -0.4696 -0.4696 1.6899 1.6899 1.7014 1.7014 1.8333 1.8333 1.8420 1.8420 2.2363 2.2363 2.2449 2.2449 2.5968 2.5968 2.6048 2.6048 2.6896 2.6896 2.7049 2.7049 4.6707 4.6707 4.6729 4.6729 10.1855 10.1855 10.3241 10.3241 11.0726 11.0726 11.2816 11.2816 14.0042 14.0042 14.1459 14.1459 15.0875 15.0875 15.1695 15.1695 k = 0.0633 0.5011 0.3861 ( 2352 PWs) bands (ev): -0.4733 -0.4733 -0.4714 -0.4714 1.6905 1.6905 1.7042 1.7042 1.8382 1.8382 1.8487 1.8487 2.2409 2.2409 2.2521 2.2521 2.5974 2.5974 2.6071 2.6071 2.6909 2.6909 2.7099 2.7099 4.6795 4.6795 4.6822 4.6822 10.0662 10.0662 10.2101 10.2101 11.0589 11.0589 11.2835 11.2835 14.0060 14.0060 14.1628 14.1628 15.1059 15.1059 15.1898 15.1898 k = 0.0760 0.5011 0.3861 ( 2350 PWs) bands (ev): -0.4759 -0.4759 -0.4736 -0.4736 1.6916 1.6916 1.7071 1.7071 1.8446 1.8446 1.8564 1.8564 2.2465 2.2465 2.2606 2.2606 2.5984 2.5984 2.6097 2.6097 2.6930 2.6930 2.7158 2.7158 4.6903 4.6903 4.6935 4.6935 9.9383 9.9383 10.0827 10.0827 11.0354 11.0354 11.2672 11.2672 14.0113 14.0113 14.1726 14.1726 15.1439 15.1439 15.2207 15.2207 k = 0.0887 0.5011 0.3861 ( 2352 PWs) bands (ev): -0.4788 -0.4788 -0.4762 -0.4762 1.6931 1.6931 1.7099 1.7099 1.8523 1.8523 1.8653 1.8653 2.2530 2.2530 2.2702 2.2702 2.5999 2.5999 2.6124 2.6124 2.6962 2.6962 2.7227 2.7227 4.7033 4.7033 4.7068 4.7068 9.8037 9.8037 9.9462 9.9462 10.9995 10.9995 11.2324 11.2324 14.0190 14.0190 14.1752 14.1752 15.2018 15.2018 15.2642 15.2642 k = 0.1013 0.5011 0.3861 ( 2352 PWs) bands (ev): -0.4821 -0.4821 -0.4792 -0.4792 1.6950 1.6950 1.7127 1.7127 1.8614 1.8614 1.8753 1.8753 2.2603 2.2603 2.2810 2.2810 2.6019 2.6019 2.6154 2.6154 2.7005 2.7005 2.7306 2.7306 4.7184 4.7184 4.7223 4.7223 9.6641 9.6641 9.8033 9.8033 10.9501 10.9501 11.1798 11.1798 14.0280 14.0280 14.1721 14.1721 15.2779 15.2779 15.3208 15.3208 k = 0.1140 0.5011 0.3861 ( 2354 PWs) bands (ev): -0.4857 -0.4857 -0.4825 -0.4825 1.6971 1.6971 1.7153 1.7153 1.8717 1.8717 1.8863 1.8863 2.2682 2.2682 2.2926 2.2926 2.6043 2.6043 2.6185 2.6185 2.7062 2.7062 2.7398 2.7398 4.7357 4.7357 4.7398 4.7398 9.5208 9.5208 9.6562 9.6562 10.8871 10.8871 11.1107 11.1107 14.0375 14.0375 14.1654 14.1654 15.3685 15.3685 15.3897 15.3897 k = 0.1266 0.5011 0.3861 ( 2356 PWs) bands (ev): -0.4896 -0.4896 -0.4862 -0.4862 1.6995 1.6995 1.7178 1.7178 1.8831 1.8831 1.8982 1.8982 2.2767 2.2767 2.3051 2.3051 2.6071 2.6071 2.6217 2.6217 2.7133 2.7133 2.7504 2.7504 4.7552 4.7552 4.7596 4.7596 9.3748 9.3748 9.5062 9.5062 10.8113 10.8113 11.0268 11.0268 14.0472 14.0472 14.1571 14.1571 15.4689 15.4689 15.4696 15.4696 k = 0.1393 0.5011 0.3861 ( 2354 PWs) bands (ev): -0.4937 -0.4937 -0.4901 -0.4901 1.7020 1.7020 1.7202 1.7202 1.8956 1.8956 1.9110 1.9110 2.2855 2.2855 2.3181 2.3181 2.6103 2.6103 2.6251 2.6251 2.7222 2.7222 2.7625 2.7625 4.7770 4.7770 4.7815 4.7815 9.2270 9.2270 9.3545 9.3545 10.7238 10.7238 10.9301 10.9301 14.0569 14.0569 14.1488 14.1488 15.5555 15.5555 15.5767 15.5767 k = 0.1520 0.5011 0.3861 ( 2352 PWs) bands (ev): -0.4981 -0.4981 -0.4943 -0.4943 1.7047 1.7047 1.7224 1.7224 1.9089 1.9089 1.9246 1.9246 2.2945 2.2945 2.3315 2.3315 2.6139 2.6139 2.6285 2.6285 2.7331 2.7331 2.7764 2.7764 4.8011 4.8011 4.8056 4.8056 9.0782 9.0782 9.2020 9.2020 10.6256 10.6256 10.8223 10.8223 14.0665 14.0665 14.1417 14.1417 15.6467 15.6467 15.6858 15.6858 k = 0.1646 0.5011 0.3861 ( 2348 PWs) bands (ev): -0.5027 -0.5027 -0.4987 -0.4987 1.7075 1.7075 1.7245 1.7245 1.9230 1.9230 1.9389 1.9389 2.3035 2.3035 2.3449 2.3449 2.6177 2.6177 2.6321 2.6321 2.7461 2.7461 2.7922 2.7922 4.8276 4.8276 4.8320 4.8320 8.9290 8.9290 9.0494 9.0494 10.5183 10.5183 10.7053 10.7053 14.0763 14.0763 14.1363 14.1363 15.7396 15.7396 15.7935 15.7935 k = 0.1773 0.5011 0.3861 ( 2344 PWs) bands (ev): -0.5074 -0.5074 -0.5034 -0.5034 1.7103 1.7103 1.7265 1.7265 1.9376 1.9376 1.9537 1.9537 2.3125 2.3125 2.3582 2.3582 2.6218 2.6218 2.6357 2.6357 2.7616 2.7616 2.8102 2.8102 4.8565 4.8565 4.8607 4.8607 8.7799 8.7799 8.8973 8.8973 10.4030 10.4030 10.5808 10.5808 14.0864 14.0864 14.1330 14.1330 15.8319 15.8319 15.8969 15.8970 k = 0.1900 0.5011 0.3861 ( 2344 PWs) bands (ev): -0.5123 -0.5123 -0.5081 -0.5081 1.7131 1.7131 1.7283 1.7283 1.9527 1.9527 1.9689 1.9689 2.3213 2.3213 2.3710 2.3710 2.6260 2.6260 2.6394 2.6394 2.7798 2.7798 2.8304 2.8304 4.8879 4.8879 4.8917 4.8917 8.6315 8.6315 8.7462 8.7462 10.2812 10.2812 10.4501 10.4501 14.0967 14.0967 14.1319 14.1319 15.9220 15.9220 15.9948 15.9948 k = 0.2026 0.5011 0.3861 ( 2342 PWs) bands (ev): -0.5173 -0.5173 -0.5130 -0.5130 1.7159 1.7159 1.7301 1.7301 1.9680 1.9680 1.9845 1.9845 2.3299 2.3299 2.3832 2.3832 2.6303 2.6303 2.6432 2.6432 2.8008 2.8008 2.8530 2.8530 4.9218 4.9218 4.9252 4.9252 8.4842 8.4842 8.5966 8.5966 10.1538 10.1538 10.3146 10.3146 14.1075 14.1075 14.1329 14.1329 16.0092 16.0092 16.0867 16.0867 k = 0.2153 0.5011 0.3861 ( 2340 PWs) bands (ev): -0.5223 -0.5223 -0.5180 -0.5180 1.7187 1.7187 1.7318 1.7318 1.9834 1.9834 2.0002 2.0002 2.3382 2.3382 2.3946 2.3946 2.6347 2.6347 2.6469 2.6469 2.8247 2.8247 2.8780 2.8780 4.9583 4.9583 4.9610 4.9610 8.3384 8.3384 8.4488 8.4488 10.0221 10.0221 10.1753 10.1753 14.1188 14.1188 14.1358 14.1358 16.0931 16.0931 16.1730 16.1730 k = 0.2280 0.5011 0.3861 ( 2342 PWs) bands (ev): -0.5274 -0.5274 -0.5231 -0.5231 1.7215 1.7215 1.7334 1.7334 1.9989 1.9989 2.0159 2.0159 2.3461 2.3461 2.4050 2.4050 2.6391 2.6391 2.6508 2.6508 2.8515 2.8515 2.9054 2.9054 4.9974 4.9974 4.9993 4.9993 8.1945 8.1945 8.3034 8.3034 9.8869 9.8869 10.0333 10.0333 14.1304 14.1304 14.1405 14.1405 16.1741 16.1741 16.2545 16.2545 k = 0.2406 0.5011 0.3861 ( 2344 PWs) bands (ev): -0.5325 -0.5325 -0.5282 -0.5282 1.7241 1.7241 1.7350 1.7350 2.0143 2.0143 2.0315 2.0315 2.3537 2.3537 2.4144 2.4144 2.6435 2.6435 2.6546 2.6546 2.8812 2.8812 2.9352 2.9352 5.0392 5.0392 5.0400 5.0400 8.0528 8.0528 8.1605 8.1605 9.7491 9.7491 9.8893 9.8893 14.1424 14.1424 14.1468 14.1468 16.2525 16.2525 16.3324 16.3324 k = 0.2533 0.5011 0.3861 ( 2340 PWs) bands (ev): -0.5376 -0.5376 -0.5333 -0.5333 1.7267 1.7267 1.7365 1.7365 2.0294 2.0294 2.0468 2.0468 2.3609 2.3609 2.4228 2.4228 2.6478 2.6478 2.6585 2.6585 2.9136 2.9136 2.9672 2.9672 5.0831 5.0831 5.0836 5.0836 7.9137 7.9137 8.0207 8.0207 9.6095 9.6095 9.7440 9.7440 14.1544 14.1544 14.1548 14.1548 16.3291 16.3291 16.4076 16.4076 k = 0.2660 0.5011 0.3861 ( 2342 PWs) bands (ev): -0.5426 -0.5426 -0.5384 -0.5384 1.7292 1.7292 1.7379 1.7379 2.0442 2.0442 2.0618 2.0618 2.3679 2.3679 2.4302 2.4302 2.6520 2.6520 2.6624 2.6624 2.9486 2.9486 3.0014 3.0014 5.1287 5.1287 5.1308 5.1308 7.7775 7.7775 7.8843 7.8843 9.4686 9.4686 9.5982 9.5982 14.1630 14.1630 14.1672 14.1672 16.4041 16.4041 16.4809 16.4809 k = 0.2786 0.5011 0.3861 ( 2342 PWs) bands (ev): -0.5476 -0.5476 -0.5435 -0.5435 1.7316 1.7316 1.7393 1.7393 2.0586 2.0586 2.0762 2.0762 2.3745 2.3745 2.4367 2.4367 2.6562 2.6562 2.6663 2.6663 2.9859 2.9859 3.0375 3.0375 5.1766 5.1766 5.1806 5.1806 7.6445 7.6445 7.7516 7.7516 9.3271 9.3271 9.4523 9.4523 14.1725 14.1725 14.1798 14.1798 16.4783 16.4783 16.5530 16.5530 k = 0.2913 0.5011 0.3861 ( 2342 PWs) bands (ev): -0.5525 -0.5525 -0.5484 -0.5484 1.7339 1.7339 1.7406 1.7406 2.0726 2.0726 2.0901 2.0901 2.3809 2.3809 2.4423 2.4423 2.6603 2.6603 2.6702 2.6702 3.0252 3.0252 3.0754 3.0754 5.2268 5.2268 5.2331 5.2331 7.5152 7.5152 7.6231 7.6231 9.1855 9.1855 9.3068 9.3068 14.1825 14.1825 14.1923 14.1923 16.5518 16.5518 16.6243 16.6243 k = 0.3039 0.5011 0.3861 ( 2340 PWs) bands (ev): -0.5572 -0.5572 -0.5533 -0.5533 1.7360 1.7360 1.7418 1.7418 2.0859 2.0859 2.1033 2.1033 2.3870 2.3870 2.4472 2.4472 2.6644 2.6644 2.6740 2.6740 3.0662 3.0662 3.1147 3.1147 5.2792 5.2792 5.2883 5.2883 7.3899 7.3899 7.4993 7.4993 9.0443 9.0443 9.1622 9.1622 14.1930 14.1930 14.2047 14.2047 16.6249 16.6249 16.6952 16.6952 k = 0.3166 0.5011 0.3861 ( 2338 PWs) bands (ev): -0.5618 -0.5618 -0.5580 -0.5580 1.7380 1.7380 1.7430 1.7430 2.0986 2.0986 2.1157 2.1157 2.3930 2.3930 2.4513 2.4513 2.6683 2.6683 2.6778 2.6778 3.1086 3.1086 3.1552 3.1552 5.3335 5.3335 5.3459 5.3459 7.2690 7.2690 7.3806 7.3806 8.9039 8.9039 9.0189 9.0189 14.2036 14.2036 14.2167 14.2167 16.6979 16.6979 16.7660 16.7660 k = 0.3293 0.5011 0.3861 ( 2340 PWs) bands (ev): -0.5663 -0.5663 -0.5626 -0.5626 1.7399 1.7399 1.7441 1.7441 2.1107 2.1107 2.1273 2.1273 2.3987 2.3987 2.4548 2.4548 2.6721 2.6721 2.6815 2.6815 3.1519 3.1519 3.1965 3.1965 5.3896 5.3896 5.4059 5.4059 7.1531 7.1531 7.2678 7.2678 8.7646 8.7646 8.8773 8.8773 14.2142 14.2142 14.2282 14.2282 16.7708 16.7708 16.8366 16.8366 k = 0.3419 0.5011 0.3861 ( 2344 PWs) bands (ev): -0.5706 -0.5706 -0.5671 -0.5671 1.7416 1.7416 1.7452 1.7452 2.1220 2.1220 2.1380 2.1380 2.4042 2.4042 2.4578 2.4578 2.6759 2.6759 2.6850 2.6850 3.1958 3.1958 3.2383 3.2383 5.4470 5.4470 5.4680 5.4680 7.0427 7.0427 7.1615 7.1615 8.6270 8.6270 8.7376 8.7376 14.2245 14.2245 14.2391 14.2391 16.8436 16.8436 16.9072 16.9072 k = 0.3546 0.5011 0.3861 ( 2344 PWs) bands (ev): -0.5746 -0.5746 -0.5714 -0.5714 1.7432 1.7432 1.7462 1.7462 2.1325 2.1325 2.1479 2.1479 2.4096 2.4096 2.4602 2.4602 2.6794 2.6794 2.6884 2.6884 3.2397 3.2397 3.2800 3.2800 5.5052 5.5052 5.5319 5.5319 6.9386 6.9386 7.0625 7.0625 8.4912 8.4912 8.6003 8.6003 14.2344 14.2344 14.2493 14.2493 16.9163 16.9163 16.9776 16.9776 k = 0.3673 0.5011 0.3861 ( 2348 PWs) bands (ev): -0.5785 -0.5785 -0.5754 -0.5754 1.7447 1.7447 1.7471 1.7471 2.1423 2.1423 2.1568 2.1568 2.4147 2.4147 2.4622 2.4622 2.6829 2.6829 2.6917 2.6917 3.2833 3.2833 3.3213 3.3213 5.5636 5.5636 5.5970 5.5970 6.8416 6.8416 6.9721 6.9721 8.3577 8.3577 8.4657 8.4657 14.2437 14.2437 14.2585 14.2585 16.9888 16.9888 17.0477 17.0477 k = 0.3799 0.5011 0.3861 ( 2348 PWs) bands (ev): -0.5822 -0.5822 -0.5793 -0.5793 1.7460 1.7460 1.7480 1.7480 2.1513 2.1513 2.1648 2.1648 2.4196 2.4196 2.4638 2.4638 2.6862 2.6862 2.6947 2.6947 3.3259 3.3259 3.3616 3.3616 5.6212 5.6212 5.6626 5.6626 6.7529 6.7529 6.8915 6.8915 8.2268 8.2268 8.3341 8.3341 14.2521 14.2521 14.2666 14.2666 17.0608 17.0608 17.1172 17.1172 k = 0.3926 0.5011 0.3861 ( 2346 PWs) bands (ev): -0.5856 -0.5856 -0.5829 -0.5829 1.7472 1.7472 1.7488 1.7488 2.1594 2.1594 2.1718 2.1718 2.4243 2.4243 2.4650 2.4650 2.6893 2.6893 2.6974 2.6974 3.3670 3.3670 3.4003 3.4003 5.6767 5.6767 5.7273 5.7273 6.6740 6.6740 6.8224 6.8224 8.0990 8.0990 8.2060 8.2060 14.2596 14.2596 14.2736 14.2736 17.1320 17.1320 17.1858 17.1858 k = 0.4053 0.5011 0.3861 ( 2344 PWs) bands (ev): -0.5888 -0.5888 -0.5863 -0.5863 1.7483 1.7483 1.7495 1.7495 2.1667 2.1667 2.1780 2.1780 2.4288 2.4288 2.4658 2.4658 2.6923 2.6923 2.6999 2.6999 3.4060 3.4060 3.4368 3.4368 5.7286 5.7286 5.7894 5.7894 6.6072 6.6072 6.7666 6.7666 7.9746 7.9746 8.0818 8.0818 14.2660 14.2660 14.2792 14.2792 17.2020 17.2020 17.2531 17.2531 k = 0.4179 0.5011 0.3861 ( 2344 PWs) bands (ev): -0.5917 -0.5917 -0.5894 -0.5894 1.7492 1.7492 1.7501 1.7501 2.1732 2.1732 2.1833 2.1833 2.4329 2.4329 2.4663 2.4663 2.6949 2.6949 2.7021 2.7021 3.4422 3.4422 3.4706 3.4706 5.7750 5.7750 5.8460 5.8460 6.5555 6.5555 6.7264 6.7264 7.8542 7.8542 7.9620 7.9620 14.2712 14.2712 14.2834 14.2834 17.2704 17.2704 17.3184 17.3184 k = 0.4306 0.5011 0.3861 ( 2344 PWs) bands (ev): -0.5944 -0.5944 -0.5923 -0.5923 1.7500 1.7500 1.7507 1.7507 2.1789 2.1789 2.1877 2.1877 2.4368 2.4368 2.4665 2.4665 2.6974 2.6974 2.7040 2.7040 3.4750 3.4750 3.5008 3.5008 5.8140 5.8140 5.8933 5.8933 6.5230 6.5230 6.7036 6.7036 7.7384 7.7384 7.8472 7.8472 14.2749 14.2749 14.2861 14.2861 17.3364 17.3364 17.3811 17.3811 k = 0.4433 0.5011 0.3861 ( 2342 PWs) bands (ev): -0.5968 -0.5968 -0.5950 -0.5950 1.7507 1.7507 1.7512 1.7512 2.1837 2.1837 2.1913 2.1913 2.4404 2.4404 2.4664 2.4664 2.6996 2.6996 2.7055 2.7055 3.5038 3.5038 3.5268 3.5268 5.8444 5.8444 5.9272 5.9272 6.5134 6.5134 6.6995 6.6995 7.6281 7.6281 7.7382 7.7382 14.2772 14.2772 14.2872 14.2872 17.3994 17.3994 17.4403 17.4403 k = 0.4559 0.5011 0.3861 ( 2350 PWs) bands (ev): -0.5989 -0.5989 -0.5973 -0.5973 1.7513 1.7513 1.7516 1.7516 2.1876 2.1876 2.1941 2.1941 2.4436 2.4436 2.4660 2.4660 2.7014 2.7014 2.7066 2.7066 3.5279 3.5279 3.5481 3.5481 5.8660 5.8660 5.9457 5.9457 6.5288 6.5288 6.7140 6.7140 7.5244 7.5244 7.6359 7.6359 14.2779 14.2779 14.2866 14.2866 17.4582 17.4582 17.4950 17.4950 k = 0.4686 0.5011 0.3861 ( 2348 PWs) bands (ev): -0.6008 -0.6008 -0.5994 -0.5994 1.7517 1.7517 1.7520 1.7520 2.1907 2.1907 2.1960 2.1960 2.4465 2.4465 2.4653 2.4653 2.7030 2.7030 2.7074 2.7074 3.5467 3.5467 3.5641 3.5641 5.8796 5.8796 5.9502 5.9502 6.5668 6.5668 6.7446 6.7446 7.4294 7.4294 7.5419 7.5419 14.2769 14.2769 14.2843 14.2843 17.5118 17.5118 17.5439 17.5439 k = 0.4686 0.5011 0.3861 ( 2348 PWs) bands (ev): -0.6008 -0.6008 -0.5994 -0.5994 1.7517 1.7517 1.7520 1.7520 2.1907 2.1907 2.1960 2.1960 2.4465 2.4465 2.4653 2.4653 2.7030 2.7030 2.7074 2.7074 3.5467 3.5467 3.5641 3.5641 5.8796 5.8796 5.9502 5.9502 6.5668 6.5668 6.7446 6.7446 7.4294 7.4294 7.5419 7.5419 14.2769 14.2769 14.2843 14.2843 17.5118 17.5118 17.5439 17.5439 k = 0.4597 0.4917 0.3861 ( 2348 PWs) bands (ev): -0.5979 -0.5979 -0.5962 -0.5962 1.7510 1.7510 1.7515 1.7515 2.1862 2.1862 2.1933 2.1933 2.4422 2.4422 2.4664 2.4664 2.7007 2.7007 2.7063 2.7063 3.5200 3.5200 3.5416 3.5416 5.8637 5.8637 5.9500 5.9500 6.5015 6.5015 6.6923 6.6923 7.5695 7.5695 7.6803 7.6803 14.2800 14.2800 14.2895 14.2895 17.4314 17.4314 17.4704 17.4704 k = 0.4509 0.4822 0.3861 ( 2348 PWs) bands (ev): -0.5943 -0.5943 -0.5923 -0.5923 1.7502 1.7502 1.7508 1.7508 2.1806 2.1806 2.1899 2.1899 2.4373 2.4373 2.4672 2.4672 2.6981 2.6981 2.7049 2.7049 3.4880 3.4880 3.5135 3.5135 5.8469 5.8469 5.9451 5.9451 6.4496 6.4496 6.6491 6.6491 7.7186 7.7186 7.8270 7.8270 14.2839 14.2839 14.2954 14.2954 17.3440 17.3440 17.3892 17.3892 k = 0.4421 0.4728 0.3861 ( 2348 PWs) bands (ev): -0.5902 -0.5902 -0.5878 -0.5878 1.7491 1.7491 1.7501 1.7501 2.1739 2.1739 2.1857 2.1857 2.4320 2.4320 2.4677 2.4677 2.6952 2.6952 2.7030 2.7030 3.4515 3.4515 3.4804 3.4804 5.8296 5.8296 5.9349 5.9349 6.4123 6.4123 6.6160 6.6160 7.8748 7.8748 7.9810 7.9810 14.2885 14.2885 14.3019 14.3019 17.2529 17.2529 17.3038 17.3038 k = 0.4332 0.4633 0.3861 ( 2344 PWs) bands (ev): -0.5856 -0.5856 -0.5829 -0.5829 1.7478 1.7478 1.7492 1.7492 2.1661 2.1661 2.1807 2.1807 2.4261 2.4261 2.4678 2.4678 2.6920 2.6920 2.7008 2.7008 3.4109 3.4109 3.4429 3.4429 5.8126 5.8126 5.9197 5.9197 6.3895 6.3895 6.5928 6.5928 8.0369 8.0369 8.1412 8.1412 14.2935 14.2935 14.3088 14.3088 17.1606 17.1606 17.2167 17.2167 k = 0.4244 0.4539 0.3861 ( 2342 PWs) bands (ev): -0.5807 -0.5807 -0.5777 -0.5777 1.7463 1.7463 1.7482 1.7482 2.1572 2.1572 2.1751 2.1751 2.4196 2.4196 2.4676 2.4676 2.6884 2.6884 2.6982 2.6982 3.3669 3.3669 3.4015 3.4015 5.7963 5.7963 5.9006 5.9006 6.3802 6.3802 6.5792 6.5792 8.2040 8.2040 8.3069 8.3069 14.2988 14.2988 14.3160 14.3160 17.0690 17.0690 17.1302 17.1302 k = 0.4155 0.4444 0.3861 ( 2338 PWs) bands (ev): -0.5755 -0.5755 -0.5722 -0.5722 1.7446 1.7446 1.7471 1.7471 2.1470 2.1470 2.1689 2.1689 2.4124 2.4124 2.4670 2.4670 2.6846 2.6846 2.6954 2.6954 3.3203 3.3203 3.3572 3.3572 5.7813 5.7813 5.8795 5.8795 6.3824 6.3824 6.5743 6.5743 8.3755 8.3755 8.4775 8.4775 14.3041 14.3041 14.3230 14.3230 16.9796 16.9796 17.0455 17.0455 k = 0.4067 0.4349 0.3861 ( 2340 PWs) bands (ev): -0.5703 -0.5703 -0.5668 -0.5668 1.7426 1.7426 1.7459 1.7459 2.1356 2.1356 2.1620 2.1620 2.4046 2.4046 2.4661 2.4661 2.6804 2.6804 2.6922 2.6922 3.2720 3.2720 3.3108 3.3108 5.7683 5.7683 5.8582 5.8582 6.3940 6.3940 6.5774 6.5774 8.5507 8.5507 8.6523 8.6523 14.3093 14.3093 14.3298 14.3298 16.8935 16.8935 16.9641 16.9641 k = 0.3979 0.4255 0.3861 ( 2340 PWs) bands (ev): -0.5651 -0.5651 -0.5614 -0.5614 1.7404 1.7404 1.7446 1.7446 2.1230 2.1230 2.1546 2.1546 2.3962 2.3962 2.4649 2.4649 2.6760 2.6760 2.6888 2.6888 3.2227 3.2227 3.2630 3.2630 5.7575 5.7575 5.8382 5.8382 6.4133 6.4133 6.5876 6.5876 8.7289 8.7289 8.8306 8.8306 14.3142 14.3142 14.3360 14.3360 16.8118 16.8118 16.8870 16.8870 k = 0.3890 0.4160 0.3861 ( 2348 PWs) bands (ev): -0.5602 -0.5602 -0.5563 -0.5563 1.7380 1.7380 1.7431 1.7431 2.1091 2.1091 2.1465 2.1465 2.3870 2.3870 2.4634 2.4634 2.6712 2.6712 2.6852 2.6852 3.1732 3.1732 3.2149 3.2149 5.7493 5.7493 5.8206 5.8206 6.4387 6.4387 6.6044 6.6044 8.9097 8.9097 9.0120 9.0120 14.3186 14.3186 14.3414 14.3414 16.7352 16.7352 16.8149 16.8149 k = 0.3802 0.4066 0.3861 ( 2352 PWs) bands (ev): -0.5558 -0.5558 -0.5518 -0.5518 1.7353 1.7353 1.7416 1.7416 2.0939 2.0939 2.1380 2.1380 2.3772 2.3772 2.4616 2.4616 2.6661 2.6661 2.6814 2.6814 3.1243 3.1243 3.1674 3.1674 5.7438 5.7438 5.8059 5.8059 6.4693 6.4693 6.6269 6.6269 9.0922 9.0922 9.1958 9.1958 14.3224 14.3224 14.3459 14.3459 16.6644 16.6644 16.7486 16.7486 k = 0.3713 0.3971 0.3861 ( 2352 PWs) bands (ev): -0.5520 -0.5520 -0.5479 -0.5479 1.7324 1.7324 1.7398 1.7398 2.0775 2.0775 2.1289 2.1289 2.3667 2.3667 2.4595 2.4595 2.6607 2.6607 2.6774 2.6774 3.0768 3.0768 3.1211 3.1211 5.7411 5.7411 5.7946 5.7946 6.5043 6.5043 6.6547 6.6547 9.2760 9.2760 9.3812 9.3812 14.3255 14.3255 14.3493 14.3493 16.6001 16.6001 16.6886 16.6886 k = 0.3625 0.3877 0.3861 ( 2344 PWs) bands (ev): -0.5491 -0.5491 -0.5449 -0.5449 1.7293 1.7293 1.7380 1.7380 2.0599 2.0599 2.1193 2.1193 2.3555 2.3555 2.4572 2.4572 2.6549 2.6549 2.6732 2.6732 3.0314 3.0314 3.0769 3.0769 5.7411 5.7411 5.7868 5.7868 6.5431 6.5431 6.6874 6.6874 9.4602 9.4602 9.5676 9.5676 14.3280 14.3280 14.3517 14.3517 16.5426 16.5426 16.6354 16.6354 k = 0.3537 0.3782 0.3861 ( 2340 PWs) bands (ev): -0.5472 -0.5472 -0.5431 -0.5431 1.7261 1.7261 1.7359 1.7359 2.0414 2.0414 2.1093 2.1093 2.3438 2.3438 2.4547 2.4547 2.6488 2.6488 2.6689 2.6689 2.9885 2.9885 3.0353 3.0353 5.7440 5.7440 5.7825 5.7825 6.5854 6.5854 6.7244 6.7244 9.6442 9.6442 9.7543 9.7543 14.3302 14.3302 14.3531 14.3531 16.4922 16.4922 16.5892 16.5892 k = 0.3448 0.3688 0.3861 ( 2336 PWs) bands (ev): -0.5467 -0.5467 -0.5426 -0.5426 1.7227 1.7227 1.7337 1.7337 2.0221 2.0221 2.0989 2.0989 2.3317 2.3317 2.4520 2.4520 2.6424 2.6424 2.6644 2.6644 2.9486 2.9486 2.9970 2.9970 5.7495 5.7495 5.7816 5.7816 6.6309 6.6309 6.7655 6.7655 9.8268 9.8268 9.9403 9.9403 14.3324 14.3324 14.3539 14.3539 16.4491 16.4491 16.5504 16.5504 k = 0.3360 0.3593 0.3861 ( 2332 PWs) bands (ev): -0.5477 -0.5477 -0.5437 -0.5437 1.7192 1.7192 1.7312 1.7312 2.0024 2.0024 2.0882 2.0882 2.3194 2.3194 2.4494 2.4494 2.6357 2.6357 2.6598 2.6598 2.9120 2.9120 2.9621 2.9621 5.7576 5.7576 5.7841 5.7841 6.6791 6.6791 6.8104 6.8104 10.0073 10.0073 10.1247 10.1247 14.3351 14.3351 14.3546 14.3546 16.4132 16.4132 16.5187 16.5187 k = 0.3271 0.3498 0.3861 ( 2336 PWs) bands (ev): -0.5504 -0.5504 -0.5466 -0.5466 1.7158 1.7158 1.7286 1.7286 1.9825 1.9825 2.0772 2.0772 2.3070 2.3070 2.4467 2.4467 2.6288 2.6288 2.6551 2.6551 2.8789 2.8789 2.9308 2.9308 5.7683 5.7683 5.7899 5.7899 6.7301 6.7301 6.8587 6.8587 10.1844 10.1844 10.3064 10.3064 14.3394 14.3394 14.3561 14.3561 16.3842 16.3842 16.4940 16.4940 k = 0.3183 0.3404 0.3861 ( 2338 PWs) bands (ev): -0.5550 -0.5550 -0.5514 -0.5514 1.7125 1.7125 1.7257 1.7257 1.9628 1.9628 2.0661 2.0661 2.2948 2.2948 2.4443 2.4443 2.6218 2.6218 2.6502 2.6502 2.8493 2.8493 2.9032 2.9032 5.7816 5.7816 5.7989 5.7989 6.7834 6.7834 6.9102 6.9102 10.3568 10.3568 10.4839 10.4839 14.3461 14.3461 14.3595 14.3595 16.3617 16.3617 16.4761 16.4761 k = 0.3094 0.3309 0.3861 ( 2342 PWs) bands (ev): -0.5616 -0.5616 -0.5584 -0.5584 1.7095 1.7095 1.7226 1.7226 1.9438 1.9438 2.0549 2.0549 2.2831 2.2831 2.4420 2.4420 2.6147 2.6147 2.6452 2.6452 2.8231 2.8231 2.8791 2.8791 5.7974 5.7974 5.8111 5.8111 6.8390 6.8390 6.9647 6.9647 10.5231 10.5231 10.6560 10.6560 14.3567 14.3567 14.3662 14.3662 16.3450 16.3450 16.4643 16.4643 k = 0.3006 0.3215 0.3861 ( 2346 PWs) bands (ev): -0.5705 -0.5705 -0.5676 -0.5676 1.7069 1.7069 1.7193 1.7193 1.9258 1.9258 2.0439 2.0439 2.2720 2.2720 2.4401 2.4401 2.6077 2.6077 2.6400 2.6400 2.8003 2.8003 2.8583 2.8583 5.8157 5.8157 5.8264 5.8264 6.8966 6.8966 7.0220 7.0220 10.6815 10.6815 10.8207 10.8207 14.3728 14.3728 14.3778 14.3778 16.3330 16.3330 16.4579 16.4579 k = 0.2918 0.3120 0.3861 ( 2350 PWs) bands (ev): -0.5817 -0.5817 -0.5791 -0.5791 1.7048 1.7048 1.7158 1.7158 1.9091 1.9091 2.0330 2.0330 2.2618 2.2618 2.4386 2.4386 2.6008 2.6008 2.6346 2.6346 2.7805 2.7805 2.8404 2.8404 5.8365 5.8365 5.8447 5.8447 6.9561 6.9561 7.0817 7.0817 10.8304 10.8304 10.9763 10.9763 14.3961 14.3961 14.3963 14.3963 16.3245 16.3245 16.4560 16.4560 k = 0.2829 0.3026 0.3861 ( 2346 PWs) bands (ev): -0.5952 -0.5952 -0.5930 -0.5930 1.7035 1.7035 1.7124 1.7124 1.8941 1.8941 2.0225 2.0225 2.2527 2.2527 2.4377 2.4377 2.5943 2.5943 2.6292 2.6292 2.7635 2.7635 2.8250 2.8250 5.8598 5.8598 5.8661 5.8661 7.0173 7.0173 7.1438 7.1438 10.9676 10.9676 11.1206 11.1206 14.4240 14.4240 14.4286 14.4286 16.3179 16.3179 16.4575 16.4575 k = 0.2741 0.2931 0.3861 ( 2344 PWs) bands (ev): -0.6111 -0.6111 -0.6093 -0.6093 1.7029 1.7029 1.7090 1.7090 1.8808 1.8808 2.0125 2.0125 2.2447 2.2447 2.4373 2.4373 2.5882 2.5882 2.6236 2.6236 2.7491 2.7491 2.8120 2.8120 5.8857 5.8857 5.8906 5.8906 7.0801 7.0801 7.2080 7.2080 11.0913 11.0913 11.2515 11.2515 14.4629 14.4629 14.4720 14.4720 16.3109 16.3109 16.4605 16.4605 k = 0.2652 0.2837 0.3861 ( 2348 PWs) bands (ev): -0.6293 -0.6293 -0.6280 -0.6280 1.7033 1.7033 1.7060 1.7060 1.8694 1.8694 2.0029 2.0029 2.2380 2.2380 2.4376 2.4376 2.5825 2.5825 2.6180 2.6180 2.7369 2.7369 2.8008 2.8008 5.9143 5.9143 5.9183 5.9183 7.1441 7.1441 7.2741 7.2741 11.1997 11.1997 11.3669 11.3669 14.5154 14.5154 14.5283 14.5283 16.3000 16.3000 16.4628 16.4628 k = 0.2564 0.2742 0.3861 ( 2350 PWs) bands (ev): -0.6498 -0.6498 -0.6489 -0.6489 1.7034 1.7034 1.7047 1.7047 1.8597 1.8597 1.9940 1.9940 2.2326 2.2326 2.4385 2.4385 2.5774 2.5774 2.6124 2.6124 2.7267 2.7267 2.7912 2.7912 5.9455 5.9455 5.9491 5.9491 7.2094 7.2094 7.3419 7.3419 11.2910 11.2910 11.4650 11.4650 14.5831 14.5831 14.5988 14.5988 16.2795 16.2795 16.4593 16.4593 k = 0.2476 0.2647 0.3861 ( 2342 PWs) bands (ev): -0.6724 -0.6724 -0.6718 -0.6718 1.7014 1.7014 1.7071 1.7071 1.8517 1.8517 1.9856 1.9856 2.2286 2.2286 2.4401 2.4401 2.5728 2.5728 2.6070 2.6070 2.7180 2.7180 2.7830 2.7830 5.9796 5.9796 5.9831 5.9831 7.2756 7.2756 7.4112 7.4112 11.3643 11.3643 11.5443 11.5443 14.6673 14.6673 14.6843 14.6843 16.2399 16.2399 16.4372 16.4372 k = 0.2387 0.2553 0.3861 ( 2334 PWs) bands (ev): -0.6969 -0.6969 -0.6967 -0.6967 1.7003 1.7003 1.7106 1.7106 1.8452 1.8452 1.9778 1.9778 2.2260 2.2260 2.4423 2.4423 2.5687 2.5687 2.6017 2.6017 2.7108 2.7108 2.7760 2.7760 6.0165 6.0165 6.0205 6.0205 7.3425 7.3425 7.4819 7.4819 11.4189 11.4189 11.6041 11.6041 14.7688 14.7688 14.7851 14.7851 16.1673 16.1673 16.3627 16.3627 k = 0.2299 0.2458 0.3861 ( 2334 PWs) bands (ev): -0.7233 -0.7233 -0.7232 -0.7232 1.7001 1.7001 1.7150 1.7150 1.8400 1.8400 1.9706 1.9706 2.2249 2.2249 2.4452 2.4452 2.5652 2.5652 2.5967 2.5967 2.7047 2.7047 2.7699 2.7699 6.0564 6.0564 6.0613 6.0613 7.4101 7.4101 7.5538 7.5538 11.4546 11.4546 11.6444 11.6444 14.8872 14.8872 14.9006 14.9006 16.0535 16.0535 16.2168 16.2168 k = 0.2210 0.2364 0.3861 ( 2338 PWs) bands (ev): -0.7514 -0.7514 -0.7509 -0.7509 1.7010 1.7010 1.7204 1.7204 1.8361 1.8361 1.9639 1.9639 2.2251 2.2251 2.4485 2.4485 2.5622 2.5622 2.5921 2.5921 2.6996 2.6996 2.7646 2.7646 6.0993 6.0993 6.1055 6.1055 7.4779 7.4779 7.6266 7.6266 11.4720 11.4720 11.6655 11.6655 15.0213 15.0213 15.0293 15.0293 15.9070 15.9070 16.0381 16.0381 k = 0.2122 0.2269 0.3861 ( 2334 PWs) bands (ev): -0.7807 -0.7807 -0.7800 -0.7800 1.7028 1.7028 1.7264 1.7264 1.8331 1.8331 1.9576 1.9576 2.2268 2.2268 2.4523 2.4523 2.5598 2.5598 2.5880 2.5880 2.6952 2.6952 2.7600 2.7600 6.1453 6.1453 6.1534 6.1534 7.5460 7.5460 7.7002 7.7002 11.4719 11.4719 11.6686 11.6686 15.1681 15.1681 15.1687 15.1687 15.7446 15.7446 15.8536 15.8536 k = 0.2033 0.2175 0.3861 ( 2330 PWs) bands (ev): -0.8110 -0.8110 -0.8100 -0.8100 1.7056 1.7056 1.7331 1.7331 1.8309 1.8309 1.9518 1.9518 2.2298 2.2298 2.4564 2.4564 2.5579 2.5579 2.5843 2.5843 2.6916 2.6916 2.7560 2.7560 6.1946 6.1946 6.2049 6.2049 7.6139 7.6139 7.7744 7.7744 11.4555 11.4555 11.6550 11.6550 15.3094 15.3094 15.3208 15.3208 15.5837 15.5837 15.6773 15.6773 k = 0.1945 0.2080 0.3861 ( 2330 PWs) bands (ev): -0.8420 -0.8420 -0.8408 -0.8408 1.7093 1.7093 1.7402 1.7402 1.8295 1.8295 1.9464 1.9464 2.2341 2.2341 2.4606 2.4606 2.5564 2.5564 2.5814 2.5814 2.6885 2.6885 2.7525 2.7525 6.2472 6.2472 6.2601 6.2601 7.6815 7.6815 7.8490 7.8490 11.4238 11.4238 11.6262 11.6262 15.3617 15.3617 15.3936 15.3936 15.5443 15.5443 15.5685 15.5685 k = 0.1857 0.1986 0.3861 ( 2342 PWs) bands (ev): -0.8734 -0.8734 -0.8721 -0.8721 1.7139 1.7139 1.7477 1.7477 1.8288 1.8288 1.9413 1.9413 2.2396 2.2396 2.4647 2.4647 2.5555 2.5555 2.5792 2.5792 2.6860 2.6860 2.7495 2.7495 6.3031 6.3031 6.3192 6.3192 7.7486 7.7486 7.9237 7.9237 11.3782 11.3782 11.5834 11.5834 15.2139 15.2139 15.2759 15.2759 15.6687 15.6687 15.7039 15.7039 k = 0.1768 0.1891 0.3861 ( 2346 PWs) bands (ev): -0.9050 -0.9050 -0.9035 -0.9035 1.7191 1.7191 1.7553 1.7553 1.8285 1.8285 1.9365 1.9365 2.2462 2.2462 2.4686 2.4686 2.5550 2.5550 2.5778 2.5778 2.6838 2.6838 2.7468 2.7468 6.3624 6.3624 6.3821 6.3821 7.8148 7.8148 7.9985 7.9985 11.3199 11.3199 11.5282 11.5282 15.0545 15.0545 15.1159 15.1159 15.8119 15.8119 15.8824 15.8824 k = 0.1680 0.1796 0.3861 ( 2348 PWs) bands (ev): -0.9365 -0.9365 -0.9349 -0.9349 1.7248 1.7248 1.7629 1.7629 1.8288 1.8288 1.9318 1.9318 2.2539 2.2539 2.4719 2.4719 2.5549 2.5549 2.5774 2.5774 2.6821 2.6821 2.7445 2.7445 6.4251 6.4251 6.4489 6.4489 7.8800 7.8800 8.0731 8.0731 11.2498 11.2498 11.4616 11.4616 14.8995 14.8995 14.9580 14.9580 15.9415 15.9415 16.0506 16.0506 k = 0.1591 0.1702 0.3861 ( 2350 PWs) bands (ev): -0.9677 -0.9677 -0.9660 -0.9660 1.7310 1.7310 1.7703 1.7703 1.8294 1.8294 1.9274 1.9274 2.2624 2.2624 2.4746 2.4746 2.5552 2.5552 2.5781 2.5781 2.6808 2.6808 2.7425 2.7425 6.4913 6.4913 6.5197 6.5197 7.9438 7.9438 8.1474 8.1474 11.1691 11.1691 11.3849 11.3849 14.7515 14.7515 14.8070 14.8070 16.0344 16.0344 16.1537 16.1537 k = 0.1503 0.1607 0.3861 ( 2342 PWs) bands (ev): -0.9983 -0.9983 -0.9967 -0.9967 1.7375 1.7375 1.7776 1.7776 1.8303 1.8303 1.9232 1.9232 2.2717 2.2717 2.4765 2.4765 2.5560 2.5560 2.5797 2.5797 2.6798 2.6798 2.7407 2.7407 6.5608 6.5608 6.5944 6.5944 8.0059 8.0059 8.2211 8.2211 11.0787 11.0787 11.2991 11.2991 14.6116 14.6116 14.6643 14.6643 16.0772 16.0772 16.1563 16.1563 k = 0.1415 0.1513 0.3861 ( 2342 PWs) bands (ev): -1.0282 -1.0282 -1.0265 -1.0265 1.7443 1.7443 1.7846 1.7846 1.8316 1.8316 1.9191 1.9191 2.2815 2.2815 2.4775 2.4775 2.5571 2.5571 2.5821 2.5821 2.6792 2.6792 2.7391 2.7391 6.6337 6.6337 6.6729 6.6729 8.0662 8.0662 8.2941 8.2941 10.9793 10.9793 11.2051 11.2051 14.4805 14.4805 14.5306 14.5306 16.0778 16.0778 16.1199 16.1199 k = 0.1326 0.1418 0.3861 ( 2336 PWs) bands (ev): -1.0571 -1.0571 -1.0555 -1.0555 1.7511 1.7511 1.7912 1.7912 1.8330 1.8330 1.9150 1.9150 2.2918 2.2918 2.4776 2.4776 2.5585 2.5585 2.5853 2.5853 2.6789 2.6789 2.7377 2.7377 6.7098 6.7098 6.7552 6.7552 8.1242 8.1242 8.3662 8.3662 10.8720 10.8720 11.1038 11.1038 14.3586 14.3586 14.4062 14.4062 16.0526 16.0526 16.0723 16.0723 k = 0.1238 0.1324 0.3861 ( 2332 PWs) bands (ev): -1.0850 -1.0850 -1.0833 -1.0833 1.7580 1.7580 1.7973 1.7973 1.8347 1.8347 1.9111 1.9111 2.3023 2.3023 2.4769 2.4769 2.5603 2.5603 2.5890 2.5890 2.6791 2.6791 2.7364 2.7364 6.7889 6.7889 6.8411 6.8411 8.1798 8.1798 8.4373 8.4373 10.7575 10.7575 10.9962 10.9962 14.2461 14.2461 14.2912 14.2912 16.0138 16.0138 16.0202 16.0202 k = 0.1149 0.1229 0.3861 ( 2336 PWs) bands (ev): -1.1115 -1.1115 -1.1099 -1.1099 1.7648 1.7648 1.8031 1.8031 1.8365 1.8365 1.9072 1.9072 2.3130 2.3130 2.4756 2.4756 2.5623 2.5623 2.5928 2.5928 2.6797 2.6797 2.7353 2.7353 6.8708 6.8708 6.9303 6.9303 8.2327 8.2327 8.5073 8.5073 10.6367 10.6367 10.8833 10.8833 14.1431 14.1431 14.1856 14.1856 15.9665 15.9665 15.9677 15.9677 k = 0.1061 0.1135 0.3861 ( 2336 PWs) bands (ev): -1.1366 -1.1366 -1.1351 -1.1351 1.7715 1.7715 1.8084 1.8084 1.8384 1.8384 1.9034 1.9034 2.3236 2.3236 2.4736 2.4736 2.5647 2.5647 2.5966 2.5966 2.6808 2.6808 2.7342 2.7342 6.9552 6.9552 7.0226 7.0226 8.2826 8.2826 8.5760 8.5760 10.5105 10.5105 10.7661 10.7661 14.0494 14.0494 14.0894 14.0894 15.9126 15.9126 15.9182 15.9182 k = 0.0973 0.1040 0.3861 ( 2346 PWs) bands (ev): -1.1601 -1.1601 -1.1587 -1.1587 1.7780 1.7780 1.8132 1.8132 1.8404 1.8404 1.8996 1.8996 2.3341 2.3341 2.4712 2.4712 2.5673 2.5673 2.6001 2.6001 2.6824 2.6824 2.7332 2.7332 7.0416 7.0416 7.1175 7.1175 8.3295 8.3295 8.6435 8.6435 10.3798 10.3798 10.6455 10.6455 13.9649 13.9649 14.0023 14.0023 15.8597 15.8597 15.8677 15.8677 k = 0.0884 0.0946 0.3861 ( 2342 PWs) bands (ev): -1.1820 -1.1820 -1.1807 -1.1807 1.7844 1.7844 1.8175 1.8175 1.8425 1.8425 1.8959 1.8959 2.3444 2.3444 2.4684 2.4684 2.5701 2.5701 2.6031 2.6031 2.6845 2.6845 2.7322 2.7322 7.1297 7.1297 7.2143 7.2143 8.3733 8.3733 8.7097 8.7097 10.2455 10.2455 10.5228 10.5228 13.8894 13.8894 13.9240 13.9240 15.8086 15.8086 15.8178 15.8178 k = 0.0796 0.0851 0.3861 ( 2334 PWs) bands (ev): -1.2020 -1.2020 -1.2008 -1.2008 1.7905 1.7905 1.8212 1.8212 1.8445 1.8445 1.8922 1.8922 2.3543 2.3543 2.4652 2.4652 2.5731 2.5731 2.6055 2.6055 2.6870 2.6870 2.7312 2.7312 7.2187 7.2187 7.3122 7.3122 8.4142 8.4142 8.7747 8.7747 10.1085 10.1085 10.3989 10.3989 13.8226 13.8226 13.8542 13.8542 15.7602 15.7602 15.7696 15.7696 k = 0.0707 0.0756 0.3861 ( 2342 PWs) bands (ev): -1.2202 -1.2202 -1.2191 -1.2191 1.7963 1.7963 1.8245 1.8245 1.8466 1.8466 1.8886 1.8886 2.3638 2.3638 2.4617 2.4617 2.5762 2.5762 2.6072 2.6072 2.6900 2.6900 2.7302 2.7302 7.3079 7.3079 7.4099 7.4099 8.4526 8.4526 8.8386 8.8386 9.9700 9.9700 10.2751 10.2751 13.7642 13.7642 13.7927 13.7927 15.7151 15.7151 15.7243 15.7243 k = 0.0619 0.0662 0.3861 ( 2350 PWs) bands (ev): -1.2364 -1.2364 -1.2354 -1.2354 1.8018 1.8018 1.8272 1.8272 1.8487 1.8487 1.8850 1.8850 2.3729 2.3729 2.4579 2.4579 2.5794 2.5794 2.6083 2.6083 2.6932 2.6932 2.7290 2.7290 7.3962 7.3962 7.5057 7.5057 8.4894 8.4894 8.9016 8.9016 9.8311 9.8311 10.1525 10.1525 13.7138 13.7138 13.7391 13.7391 15.6739 15.6739 15.6825 15.6825 k = 0.0530 0.0567 0.3861 ( 2350 PWs) bands (ev): -1.2506 -1.2506 -1.2497 -1.2497 1.8071 1.8071 1.8294 1.8294 1.8507 1.8507 1.8815 1.8815 2.3816 2.3816 2.4539 2.4539 2.5826 2.5826 2.6087 2.6087 2.6966 2.6966 2.7278 2.7278 7.4825 7.4825 7.5971 7.5971 8.5261 8.5261 8.9638 8.9638 9.6930 9.6930 10.0323 10.0323 13.6711 13.6711 13.6931 13.6931 15.6372 15.6372 15.6448 15.6448 k = 0.0442 0.0473 0.3861 ( 2362 PWs) bands (ev): -1.2626 -1.2626 -1.2619 -1.2619 1.8119 1.8119 1.8310 1.8310 1.8528 1.8528 1.8781 1.8781 2.3898 2.3898 2.4496 2.4496 2.5859 2.5859 2.6085 2.6085 2.7002 2.7002 2.7263 2.7263 7.5651 7.5651 7.6809 7.6809 8.5652 8.5652 9.0250 9.0250 9.5580 9.5580 9.9157 9.9157 13.6358 13.6358 13.6544 13.6544 15.6054 15.6054 15.6120 15.6120 k = 0.0354 0.0378 0.3861 ( 2366 PWs) bands (ev): -1.2726 -1.2726 -1.2720 -1.2720 1.8164 1.8164 1.8320 1.8320 1.8548 1.8548 1.8748 1.8748 2.3975 2.3975 2.4450 2.4450 2.5891 2.5891 2.6077 2.6077 2.7037 2.7037 2.7248 2.7248 7.6423 7.6423 7.7528 7.7528 8.6098 8.6098 9.0830 9.0830 9.4299 9.4299 9.8037 9.8037 13.6077 13.6077 13.6227 13.6227 15.5790 15.5790 15.5844 15.5844 k = 0.0265 0.0284 0.3861 ( 2366 PWs) bands (ev): -1.2803 -1.2803 -1.2799 -1.2799 1.8205 1.8205 1.8323 1.8323 1.8568 1.8568 1.8717 1.8717 2.4048 2.4048 2.4402 2.4402 2.5922 2.5922 2.6065 2.6065 2.7071 2.7071 2.7230 2.7230 7.7118 7.7118 7.8082 7.8082 8.6638 8.6638 9.1252 9.1252 9.3240 9.3240 9.6973 9.6973 13.5866 13.5866 13.5979 13.5979 15.5583 15.5583 15.5623 15.5623 k = 0.0177 0.0189 0.3861 ( 2370 PWs) bands (ev): -1.2859 -1.2859 -1.2856 -1.2856 1.8240 1.8240 1.8320 1.8320 1.8589 1.8589 1.8687 1.8687 2.4116 2.4116 2.4352 2.4352 2.5952 2.5952 2.6049 2.6049 2.7103 2.7103 2.7209 2.7209 7.7711 7.7711 7.8432 7.8432 8.7303 8.7303 9.0978 9.0978 9.2965 9.2965 9.5975 9.5975 13.5721 13.5721 13.5797 13.5797 15.5434 15.5434 15.5462 15.5462 k = 0.0088 0.0095 0.3861 ( 2370 PWs) bands (ev): -1.2892 -1.2892 -1.2890 -1.2890 1.8270 1.8270 1.8310 1.8310 1.8611 1.8611 1.8660 1.8660 2.4180 2.4180 2.4298 2.4298 2.5980 2.5980 2.6029 2.6029 2.7133 2.7133 2.7186 2.7186 7.8170 7.8170 7.8558 7.8558 8.8107 8.8107 9.0048 9.0048 9.3469 9.3469 9.5050 9.5050 13.5643 13.5643 13.5681 13.5681 15.5347 15.5347 15.5361 15.5361 k = 0.0000 0.0000 0.3861 ( 2368 PWs) bands (ev): -1.2902 -1.2902 -1.2902 -1.2902 1.8293 1.8293 1.8293 1.8293 1.8634 1.8634 1.8634 1.8634 2.4241 2.4241 2.4241 2.4241 2.6006 2.6006 2.6006 2.6006 2.7161 2.7161 2.7161 2.7161 7.8462 7.8462 7.8462 7.8462 8.9038 8.9038 8.9038 8.9038 9.4206 9.4206 9.4206 9.4206 13.5630 13.5630 13.5630 13.5630 15.5323 15.5323 15.5323 15.5323 k = 0.0000 0.0000 0.3861 ( 2368 PWs) bands (ev): -1.2902 -1.2902 -1.2902 -1.2902 1.8293 1.8293 1.8293 1.8293 1.8634 1.8634 1.8634 1.8634 2.4241 2.4241 2.4241 2.4241 2.6006 2.6006 2.6006 2.6006 2.7161 2.7161 2.7161 2.7161 7.8462 7.8462 7.8462 7.8462 8.9038 8.9038 8.9038 8.9038 9.4206 9.4206 9.4206 9.4206 13.5630 13.5630 13.5630 13.5630 15.5323 15.5323 15.5323 15.5323 k = 0.0000 0.0000 0.3732 ( 2372 PWs) bands (ev): -1.3420 -1.3420 -1.2386 -1.2386 1.8247 1.8247 1.8318 1.8318 1.8537 1.8537 1.8771 1.8771 2.4174 2.4174 2.4313 2.4313 2.5946 2.5946 2.6064 2.6064 2.7110 2.7110 2.7213 2.7213 7.7717 7.7717 7.9190 7.9190 8.8656 8.8656 8.9442 8.9442 9.3672 9.3672 9.4763 9.4763 13.3695 13.3695 13.7546 13.7546 15.4896 15.4896 15.5785 15.5785 k = 0.0000 0.0000 0.3603 ( 2364 PWs) bands (ev): -1.3938 -1.3938 -1.1872 -1.1872 1.8175 1.8175 1.8331 1.8331 1.8481 1.8481 1.8937 1.8937 2.4113 2.4113 2.4391 2.4391 2.5885 2.5885 2.6123 2.6123 2.7060 2.7060 2.7264 2.7264 7.6960 7.6960 7.9888 7.9888 8.8307 8.8307 8.9857 8.9857 9.3170 9.3170 9.5335 9.5335 13.1764 13.1764 13.9417 13.9417 15.4503 15.4503 15.6282 15.6282 k = 0.0000 0.0000 0.3474 ( 2366 PWs) bands (ev): -1.4453 -1.4453 -1.1365 -1.1365 1.8091 1.8091 1.8338 1.8338 1.8455 1.8455 1.9123 1.9123 2.4058 2.4058 2.4475 2.4475 2.5824 2.5824 2.6182 2.6182 2.7014 2.7014 2.7313 2.7313 7.6195 7.6195 8.0542 8.0542 8.8003 8.8003 9.0267 9.0267 9.2721 9.2721 9.5915 9.5915 12.9854 12.9854 14.1212 14.1212 15.4145 15.4145 15.6814 15.6814 k = 0.0000 0.0000 0.3346 ( 2370 PWs) bands (ev): -1.4964 -1.4964 -1.0864 -1.0864 1.8009 1.8009 1.8342 1.8342 1.8444 1.8444 1.9327 1.9327 2.4010 2.4010 2.4563 2.4563 2.5761 2.5761 2.6241 2.6241 2.6975 2.6975 2.7359 2.7359 7.5426 7.5426 8.1132 8.1132 8.7759 8.7759 9.0633 9.0633 9.2369 9.2369 9.6495 9.6495 12.7984 12.7984 14.2891 14.2891 15.3822 15.3822 15.7381 15.7381 k = 0.0000 0.0000 0.3217 ( 2370 PWs) bands (ev): -1.5468 -1.5468 -1.0374 -1.0374 1.7935 1.7935 1.8345 1.8345 1.8439 1.8439 1.9544 1.9544 2.3967 2.3967 2.4655 2.4655 2.5697 2.5697 2.6299 2.6299 2.6950 2.6950 2.7402 2.7402 7.4654 7.4654 8.1630 8.1630 8.7590 8.7590 9.0853 9.0853 9.2227 9.2227 9.7067 9.7067 12.6170 12.6170 14.4409 14.4409 15.3533 15.3533 15.7983 15.7983 k = 0.0000 0.0000 0.3088 ( 2366 PWs) bands (ev): -1.5965 -1.5965 -0.9895 -0.9895 1.7871 1.7871 1.8347 1.8347 1.8439 1.8439 1.9771 1.9771 2.3932 2.3932 2.4750 2.4750 2.5633 2.5633 2.6351 2.6351 2.6947 2.6947 2.7441 2.7441 7.3879 7.3879 8.2011 8.2011 8.7505 8.7505 9.0827 9.0827 9.2411 9.2411 9.7623 9.7623 12.4430 12.4430 14.5712 14.5712 15.3278 15.3278 15.8618 15.8618 k = 0.0000 0.0000 0.2960 ( 2360 PWs) bands (ev): -1.6452 -1.6452 -0.9429 -0.9429 1.7819 1.7819 1.8348 1.8348 1.8440 1.8440 2.0003 2.0003 2.3903 2.3903 2.4845 2.4845 2.5571 2.5571 2.6389 2.6389 2.6983 2.6983 2.7474 2.7474 7.3100 7.3100 8.2254 8.2254 8.7496 8.7496 9.0676 9.0676 9.2828 9.2828 9.8149 9.8149 12.2780 12.2780 14.6751 14.6751 15.3058 15.3058 15.9288 15.9288 k = 0.0000 0.0000 0.2831 ( 2364 PWs) bands (ev): -1.6928 -1.6928 -0.8979 -0.8979 1.7777 1.7777 1.8349 1.8349 1.8443 1.8443 2.0236 2.0236 2.3882 2.3882 2.4937 2.4937 2.5510 2.5510 2.6403 2.6403 2.7074 2.7074 2.7503 2.7503 7.2318 7.2318 8.2360 8.2360 8.7524 8.7524 9.0556 9.0556 9.3360 9.3360 9.8633 9.8633 12.1241 12.1241 14.7483 14.7483 15.2870 15.2870 15.9992 15.9992 k = 0.0000 0.0000 0.2702 ( 2358 PWs) bands (ev): -1.7391 -1.7391 -0.8545 -0.8545 1.7746 1.7746 1.8349 1.8349 1.8445 1.8445 2.0464 2.0464 2.3869 2.3869 2.5022 2.5022 2.5453 2.5453 2.6394 2.6394 2.7229 2.7229 2.7527 2.7527 7.1530 7.1530 8.2347 8.2347 8.7529 8.7529 9.0548 9.0548 9.3967 9.3967 9.9056 9.9056 11.9834 11.9834 14.7887 14.7887 15.2715 15.2715 16.0729 16.0729 k = 0.0000 0.0000 0.2574 ( 2358 PWs) bands (ev): -1.7840 -1.7840 -0.8130 -0.8130 1.7725 1.7725 1.8350 1.8350 1.8448 1.8448 2.0683 2.0683 2.3863 2.3863 2.5094 2.5094 2.5404 2.5404 2.6367 2.6367 2.7439 2.7439 2.7555 2.7555 7.0735 7.0735 8.2244 8.2244 8.7462 8.7462 9.0678 9.0678 9.4640 9.4640 9.9401 9.9401 11.8584 11.8584 14.7967 14.7967 15.2589 15.2589 16.1499 16.1499 k = 0.0000 0.0000 0.2445 ( 2358 PWs) bands (ev): -1.8275 -1.8275 -0.7733 -0.7733 1.7711 1.7711 1.8350 1.8350 1.8450 1.8450 2.0889 2.0889 2.3863 2.3863 2.5141 2.5141 2.5373 2.5373 2.6330 2.6330 2.7535 2.7535 2.7759 2.7759 6.9931 6.9931 8.2079 8.2079 8.7315 8.7315 9.0922 9.0922 9.5380 9.5380 9.9648 9.9648 11.7516 11.7516 14.7749 14.7749 15.2489 15.2489 16.2301 16.2301 k = 0.0000 0.0000 0.2316 ( 2358 PWs) bands (ev): -1.8693 -1.8693 -0.7357 -0.7357 1.7705 1.7705 1.8349 1.8349 1.8451 1.8451 2.1078 2.1078 2.3871 2.3871 2.5151 2.5151 2.5373 2.5373 2.6285 2.6285 2.7542 2.7542 2.8112 2.8112 6.9118 6.9118 8.1876 8.1876 8.7107 8.7107 9.1234 9.1234 9.6189 9.6189 9.9779 9.9779 11.6651 11.6651 14.7274 14.7274 15.2413 15.2413 16.3134 16.3134 k = 0.0000 0.0000 0.2188 ( 2346 PWs) bands (ev): -1.9094 -1.9094 -0.7002 -0.7002 1.7706 1.7706 1.8347 1.8347 1.8452 1.8452 2.1248 2.1248 2.3883 2.3883 2.5127 2.5127 2.5399 2.5399 2.6238 2.6238 2.7539 2.7539 2.8536 2.8536 6.8293 6.8293 8.1650 8.1650 8.6865 8.6865 9.1564 9.1564 9.7065 9.7065 9.9786 9.9786 11.6006 11.6006 14.6581 14.6581 15.2360 15.2360 16.3999 16.3999 k = 0.0000 0.0000 0.2059 ( 2338 PWs) bands (ev): -1.9477 -1.9477 -0.6669 -0.6669 1.7712 1.7712 1.8345 1.8345 1.8452 1.8452 2.1399 2.1399 2.3899 2.3899 2.5089 2.5089 2.5435 2.5435 2.6189 2.6189 2.7528 2.7528 2.9026 2.9026 6.7456 6.7456 8.1413 8.1413 8.6607 8.6607 9.1881 9.1881 9.7995 9.7995 9.9680 9.9680 11.5585 11.5585 14.5709 14.5709 15.2329 15.2329 16.4892 16.4892 k = 0.0000 0.0000 0.1930 ( 2342 PWs) bands (ev): -1.9840 -1.9840 -0.6357 -0.6357 1.7723 1.7723 1.8341 1.8341 1.8451 1.8451 2.1532 2.1532 2.3918 2.3918 2.5045 2.5045 2.5473 2.5473 2.6139 2.6139 2.7510 2.7510 2.9577 2.9577 6.6606 6.6606 8.1174 8.1174 8.6346 8.6346 9.2161 9.2161 9.8876 9.8876 9.9577 9.9577 11.5377 11.5377 14.4692 14.4692 15.2318 15.2318 16.5813 16.5813 k = 0.0000 0.0000 0.1802 ( 2340 PWs) bands (ev): -2.0184 -2.0184 -0.6068 -0.6068 1.7738 1.7738 1.8336 1.8336 1.8450 1.8450 2.1649 2.1649 2.3938 2.3938 2.5001 2.5001 2.5509 2.5509 2.6091 2.6091 2.7486 2.7486 3.0183 3.0183 6.5742 6.5742 8.0939 8.0939 8.6088 8.6088 9.2388 9.2388 9.8969 9.8969 10.0239 10.0239 11.5361 11.5361 14.3558 14.3558 15.2326 15.2326 16.6759 16.6759 k = 0.0000 0.0000 0.1673 ( 2338 PWs) bands (ev): -2.0507 -2.0507 -0.5801 -0.5801 1.7755 1.7755 1.8330 1.8330 1.8448 1.8448 2.1752 2.1752 2.3956 2.3956 2.4958 2.4958 2.5544 2.5544 2.6046 2.6046 2.7455 2.7455 3.0840 3.0840 6.4867 6.4867 8.0710 8.0710 8.5840 8.5840 9.2550 9.2550 9.8647 9.8647 10.1322 10.1322 11.5504 11.5504 14.2331 14.2331 15.2350 15.2350 16.7723 16.7723 k = 0.0000 0.0000 0.1544 ( 2337 PWs) bands (ev): -2.0808 -2.0808 -0.5557 -0.5557 1.7775 1.7775 1.8321 1.8321 1.8446 1.8446 2.1843 2.1843 2.3973 2.3973 2.4918 2.4918 2.5575 2.5575 2.6006 2.6006 2.7419 2.7419 3.1538 3.1538 6.3982 6.3982 8.0493 8.0493 8.5605 8.5605 9.2635 9.2635 9.8289 9.8289 10.2481 10.2481 11.5773 11.5773 14.1029 14.1029 15.2389 15.2389 16.8688 16.8688 k = 0.0000 0.0000 0.1416 ( 2343 PWs) bands (ev): -2.1087 -2.1087 -0.5334 -0.5334 1.7796 1.7796 1.8312 1.8312 1.8444 1.8444 2.1926 2.1926 2.3986 2.3986 2.4879 2.4879 2.5602 2.5602 2.5973 2.5973 2.7377 2.7377 3.2270 3.2270 6.3090 6.3090 8.0287 8.0287 8.5384 8.5384 9.2637 9.2637 9.7957 9.7957 10.3685 10.3685 11.6136 11.6136 13.9670 13.9670 15.2438 15.2438 16.9561 16.9561 k = 0.0000 0.0000 0.1287 ( 2345 PWs) bands (ev): -2.1344 -2.1344 -0.5132 -0.5132 1.7817 1.7817 1.8301 1.8301 1.8442 1.8442 2.2001 2.2001 2.3995 2.3995 2.4844 2.4844 2.5620 2.5620 2.5953 2.5953 2.7331 2.7331 3.3026 3.3026 6.2197 6.2197 8.0096 8.0096 8.5180 8.5180 9.2555 9.2555 9.7680 9.7680 10.4919 10.4919 11.6563 11.6563 13.8269 13.8269 15.2497 15.2497 16.9721 16.9721 k = 0.0000 0.0000 0.1158 ( 2353 PWs) bands (ev): -2.1578 -2.1578 -0.4952 -0.4952 1.7839 1.7839 1.8289 1.8289 1.8439 1.8439 2.2070 2.2070 2.3999 2.3999 2.4812 2.4812 2.5625 2.5625 2.5950 2.5950 2.7280 2.7280 3.3797 3.3797 6.1309 6.1309 7.9921 7.9921 8.4993 8.4993 9.2398 9.2398 9.7473 9.7473 10.6174 10.6174 11.7030 11.7030 13.6839 13.6839 15.2561 15.2561 16.9161 16.9161 k = 0.0000 0.0000 0.1029 ( 2357 PWs) bands (ev): -2.1788 -2.1788 -0.4792 -0.4792 1.7859 1.7859 1.8276 1.8276 1.8437 1.8437 2.2133 2.2133 2.3999 2.3999 2.4784 2.4784 2.5619 2.5619 2.5965 2.5965 2.7227 2.7227 3.4569 3.4569 6.0436 6.0436 7.9763 7.9763 8.4825 8.4825 9.2185 9.2185 9.7332 9.7332 10.7437 10.7437 11.7518 11.7518 13.5395 13.5395 15.2628 15.2628 16.8510 16.8510 k = 0.0000 0.0000 0.0901 ( 2355 PWs) bands (ev): -2.1975 -2.1975 -0.4652 -0.4652 1.7879 1.7879 1.8264 1.8264 1.8435 1.8435 2.2192 2.2192 2.3994 2.3994 2.4761 2.4761 2.5602 2.5602 2.5994 2.5994 2.7171 2.7171 3.5330 3.5330 5.9590 5.9590 7.9621 7.9621 8.4675 8.4675 9.1937 9.1937 9.7248 9.7248 10.8697 10.8697 11.8010 11.8010 13.3951 13.3951 15.2695 15.2695 16.7875 16.7875 k = 0.0000 0.0000 0.0772 ( 2355 PWs) bands (ev): -2.2137 -2.2137 -0.4532 -0.4532 1.7897 1.7897 1.8252 1.8252 1.8434 1.8434 2.2246 2.2246 2.3985 2.3985 2.4742 2.4742 2.5580 2.5580 2.6033 2.6033 2.7114 2.7114 3.6061 3.6061 5.8786 5.8786 7.9498 7.9498 8.4544 8.4544 9.1681 9.1681 9.7204 9.7204 10.9933 10.9933 11.8495 11.8495 13.2524 13.2524 15.2760 15.2760 16.7284 16.7284 k = 0.0000 0.0000 0.0643 ( 2355 PWs) bands (ev): -2.2275 -2.2275 -0.4432 -0.4432 1.7913 1.7913 1.8241 1.8241 1.8432 1.8432 2.2294 2.2294 2.3973 2.3973 2.4727 2.4727 2.5557 2.5557 2.6078 2.6078 2.7058 2.7058 3.6744 3.6744 5.8042 5.8042 7.9393 7.9393 8.4433 8.4433 9.1435 9.1435 9.7188 9.7188 11.1121 11.1121 11.8965 11.8965 13.1136 13.1136 15.2820 15.2820 16.6755 16.6755 k = 0.0000 0.0000 0.0515 ( 2347 PWs) bands (ev): -2.2388 -2.2388 -0.4350 -0.4350 1.7927 1.7927 1.8232 1.8232 1.8430 1.8430 2.2336 2.2336 2.3960 2.3960 2.4716 2.4716 2.5536 2.5536 2.6123 2.6123 2.7004 2.7004 3.7356 3.7356 5.7381 5.7381 7.9306 7.9306 8.4342 8.4342 9.1216 9.1216 9.7188 9.7188 11.2224 11.2224 11.9415 11.9415 12.9817 12.9817 15.2872 15.2872 16.6303 16.6303 k = 0.0000 0.0000 0.0386 ( 2339 PWs) bands (ev): -2.2476 -2.2476 -0.4286 -0.4286 1.7937 1.7937 1.8225 1.8225 1.8429 1.8429 2.2370 2.2370 2.3948 2.3948 2.4709 2.4709 2.5517 2.5517 2.6166 2.6166 2.6955 2.6955 3.7872 3.7872 5.6827 5.6827 7.9239 7.9239 8.4271 8.4271 9.1036 9.1036 9.7195 9.7195 11.3193 11.3193 11.9843 11.9843 12.8613 12.8613 15.2915 15.2915 16.5939 16.5939 k = 0.0000 0.0000 0.0257 ( 2339 PWs) bands (ev): -2.2539 -2.2539 -0.4241 -0.4241 1.7945 1.7945 1.8219 1.8219 1.8428 1.8428 2.2396 2.2396 2.3937 2.3937 2.4704 2.4704 2.5504 2.5504 2.6203 2.6203 2.6915 2.6915 3.8265 3.8265 5.6406 5.6406 7.9191 7.9191 8.4220 8.4220 9.0903 9.0903 9.7204 9.7204 11.3963 11.3963 12.0230 12.0230 12.7599 12.7599 15.2947 15.2947 16.5672 16.5672 k = 0.0000 0.0000 0.0129 ( 2343 PWs) bands (ev): -2.2577 -2.2577 -0.4215 -0.4215 1.7950 1.7950 1.8216 1.8216 1.8427 1.8427 2.2412 2.2412 2.3931 2.3931 2.4701 2.4701 2.5495 2.5495 2.6227 2.6227 2.6889 2.6889 3.8513 3.8513 5.6142 5.6142 7.9162 7.9162 8.4190 8.4190 9.0821 9.0821 9.7211 9.7211 11.4463 11.4463 12.0527 12.0527 12.6890 12.6890 15.2967 15.2967 16.5509 16.5509 k = 0.0000 0.0000 0.0000 ( 2347 PWs) bands (ev): -2.2589 -2.2589 -0.4206 -0.4206 1.7951 1.7951 1.8214 1.8214 1.8427 1.8427 2.2417 2.2417 2.3928 2.3928 2.4700 2.4700 2.5492 2.5492 2.6236 2.6236 2.6879 2.6879 3.8598 3.8598 5.6052 5.6052 7.9152 7.9152 8.4179 8.4179 9.0793 9.0793 9.7213 9.7213 11.4637 11.4637 12.0643 12.0643 12.6629 12.6629 15.2974 15.2974 16.5454 16.5454 k = 0.0000 0.0000 0.0000 ( 2347 PWs) bands (ev): -2.2589 -2.2589 -0.4206 -0.4206 1.7951 1.7951 1.8214 1.8214 1.8427 1.8427 2.2417 2.2417 2.3928 2.3928 2.4700 2.4700 2.5492 2.5492 2.6236 2.6236 2.6879 2.6879 3.8598 3.8598 5.6052 5.6052 7.9152 7.9152 8.4179 8.4179 9.0793 9.0793 9.7213 9.7213 11.4637 11.4637 12.0643 12.0643 12.6629 12.6629 15.2974 15.2974 16.5454 16.5454 k =-0.0094 0.0088 0.0000 ( 2341 PWs) bands (ev): -2.2577 -2.2577 -0.4202 -0.4202 1.7949 1.7949 1.8215 1.8215 1.8427 1.8427 2.2414 2.2414 2.3927 2.3927 2.4699 2.4699 2.5490 2.5490 2.6237 2.6237 2.6876 2.6876 3.8590 3.8590 5.6075 5.6075 7.9067 7.9067 8.4089 8.4089 9.0932 9.0932 9.7254 9.7254 11.4585 11.4585 12.0348 12.0348 12.6979 12.6979 15.3005 15.3005 16.5512 16.5512 k =-0.0189 0.0176 0.0000 ( 2337 PWs) bands (ev): -2.2542 -2.2542 -0.4192 -0.4192 1.7943 1.7943 1.8215 1.8215 1.8425 1.8425 2.2404 2.2404 2.3922 2.3922 2.4697 2.4697 2.5485 2.5485 2.6240 2.6240 2.6865 2.6865 3.8566 3.8566 5.6145 5.6145 7.8822 7.8822 8.3836 8.3836 9.1317 9.1317 9.7379 9.7379 11.4431 11.4431 11.9614 11.9614 12.7875 12.7875 15.3099 15.3099 16.5684 16.5684 k =-0.0283 0.0265 0.0000 ( 2345 PWs) bands (ev): -2.2482 -2.2482 -0.4174 -0.4174 1.7933 1.7933 1.8216 1.8216 1.8424 1.8424 2.2388 2.2388 2.3915 2.3915 2.4693 2.4693 2.5476 2.5476 2.6244 2.6244 2.6848 2.6848 3.8528 3.8528 5.6261 5.6261 7.8437 7.8437 8.3461 8.3461 9.1875 9.1875 9.7594 9.7594 11.4176 11.4176 11.8680 11.8680 12.9083 12.9083 15.3256 15.3256 16.5968 16.5968 k =-0.0377 0.0353 0.0000 ( 2357 PWs) bands (ev): -2.2400 -2.2400 -0.4150 -0.4150 1.7919 1.7919 1.8217 1.8217 1.8421 1.8421 2.2365 2.2365 2.3904 2.3904 2.4689 2.4689 2.5463 2.5463 2.6251 2.6251 2.6825 2.6825 3.8474 3.8474 5.6423 5.6423 7.7942 7.7942 8.3002 8.3002 9.2521 9.2521 9.7911 9.7911 11.3826 11.3826 11.7688 11.7688 13.0463 13.0463 15.3477 15.3477 16.6358 16.6358 k =-0.0472 0.0441 0.0000 ( 2359 PWs) bands (ev): -2.2293 -2.2293 -0.4120 -0.4120 1.7901 1.7901 1.8219 1.8219 1.8418 1.8418 2.2337 2.2337 2.3891 2.3891 2.4684 2.4684 2.5447 2.5447 2.6259 2.6259 2.6796 2.6796 3.8407 3.8407 5.6630 5.6630 7.7370 7.7370 8.2482 8.2482 9.3174 9.3174 9.8344 9.8344 11.3392 11.3392 11.6708 11.6708 13.1946 13.1946 15.3763 15.3763 16.6847 16.6847 k =-0.0566 0.0529 0.0000 ( 2359 PWs) bands (ev): -2.2164 -2.2164 -0.4085 -0.4085 1.7877 1.7877 1.8220 1.8220 1.8415 1.8415 2.2304 2.2304 2.3874 2.3874 2.4680 2.4680 2.5427 2.5427 2.6268 2.6268 2.6763 2.6763 3.8328 3.8328 5.6881 5.6881 7.6749 7.6749 8.1913 8.1913 9.3767 9.3767 9.8902 9.8902 11.2896 11.2896 11.5771 11.5771 13.3499 13.3499 15.4114 15.4114 16.7402 16.7402 k =-0.0660 0.0617 0.0000 ( 2351 PWs) bands (ev): -2.2012 -2.2012 -0.4044 -0.4044 1.7849 1.7849 1.8223 1.8223 1.8412 1.8412 2.2265 2.2265 2.3853 2.3853 2.4677 2.4677 2.5405 2.5405 2.6279 2.6279 2.6726 2.6726 3.8237 3.8237 5.7175 5.7175 7.6103 7.6103 8.1303 8.1303 9.4256 9.4256 9.9568 9.9568 11.2378 11.2378 11.4887 11.4887 13.5100 13.5100 15.4533 15.4533 16.7069 16.7069 k =-0.0755 0.0706 0.0000 ( 2351 PWs) bands (ev): -2.1838 -2.1838 -0.4000 -0.4000 1.7816 1.7816 1.8226 1.8226 1.8408 1.8408 2.2223 2.2223 2.3830 2.3830 2.4675 2.4675 2.5379 2.5379 2.6289 2.6289 2.6687 2.6687 3.8136 3.8136 5.7510 5.7510 7.5448 7.5448 8.0657 8.0657 9.4625 9.4625 10.0292 10.0292 11.1894 11.1894 11.4056 11.4056 13.6734 13.6734 15.5019 15.5019 16.4897 16.4897 k =-0.0849 0.0794 0.0000 ( 2351 PWs) bands (ev): -2.1641 -2.1641 -0.3951 -0.3951 1.7777 1.7777 1.8229 1.8229 1.8405 1.8405 2.2177 2.2177 2.3804 2.3804 2.4675 2.4675 2.5351 2.5351 2.6298 2.6298 2.6648 2.6648 3.8027 3.8027 5.7887 5.7887 7.4799 7.4799 7.9980 7.9980 9.4876 9.4876 10.0989 10.0989 11.1518 11.1518 11.3281 11.3281 13.8389 13.8389 15.5574 15.5574 16.2598 16.2598 k =-0.0943 0.0882 0.0000 ( 2349 PWs) bands (ev): -2.1424 -2.1424 -0.3901 -0.3901 1.7734 1.7734 1.8233 1.8233 1.8402 1.8402 2.2129 2.2129 2.3775 2.3775 2.4677 2.4677 2.5321 2.5321 2.6303 2.6303 2.6612 2.6612 3.7911 3.7911 5.8302 5.8302 7.4165 7.4165 7.9277 7.9277 9.5023 9.5023 10.1547 10.1547 11.1287 11.1287 11.2615 11.2615 14.0050 14.0050 15.6197 15.6197 16.0271 16.0271 k =-0.1038 0.0970 0.0000 ( 2353 PWs) bands (ev): -2.1185 -2.1185 -0.3849 -0.3849 1.7685 1.7685 1.8238 1.8238 1.8399 1.8399 2.2079 2.2079 2.3744 2.3744 2.4681 2.4681 2.5289 2.5289 2.6301 2.6301 2.6583 2.6583 3.7790 3.7790 5.8755 5.8755 7.3552 7.3552 7.8551 7.8551 9.5077 9.5077 10.1867 10.1867 11.1017 11.1017 11.2328 11.2328 14.1702 14.1702 15.6882 15.6882 15.7952 15.7952 k =-0.1132 0.1059 0.0000 ( 2357 PWs) bands (ev): -2.0926 -2.0926 -0.3796 -0.3796 1.7631 1.7631 1.8243 1.8243 1.8397 1.8397 2.2029 2.2029 2.3711 2.3711 2.4687 2.4687 2.5258 2.5258 2.6289 2.6289 2.6566 2.6566 3.7665 3.7665 5.9243 5.9243 7.2966 7.2966 7.7807 7.7807 9.5046 9.5046 10.1899 10.1899 11.0431 11.0431 11.2731 11.2731 14.3322 14.3322 15.5629 15.5629 15.7666 15.7666 k =-0.1226 0.1147 0.0000 ( 2369 PWs) bands (ev): -2.0648 -2.0648 -0.3744 -0.3744 1.7573 1.7573 1.8250 1.8250 1.8395 1.8395 2.1980 2.1980 2.3677 2.3677 2.4695 2.4695 2.5227 2.5227 2.6265 2.6265 2.6561 2.6561 3.7539 3.7539 5.9766 5.9766 7.2409 7.2409 7.7049 7.7049 9.4935 9.4935 10.1670 10.1670 10.9686 10.9686 11.3633 11.3633 14.4870 14.4870 15.3391 15.3391 15.8497 15.8497 k =-0.1321 0.1235 0.0000 ( 2369 PWs) bands (ev): -2.0351 -2.0351 -0.3695 -0.3695 1.7511 1.7511 1.8258 1.8258 1.8394 1.8394 2.1933 2.1933 2.3642 2.3642 2.4704 2.4704 2.5199 2.5199 2.6232 2.6232 2.6569 2.6569 3.7412 3.7412 6.0320 6.0320 7.1884 7.1884 7.6282 7.6282 9.4745 9.4745 10.1249 10.1249 10.8890 10.8890 11.4851 11.4851 14.6231 14.6231 15.1316 15.1316 15.9399 15.9399 k =-0.1415 0.1323 0.0000 ( 2371 PWs) bands (ev): -2.0037 -2.0037 -0.3649 -0.3649 1.7446 1.7446 1.8267 1.8267 1.8393 1.8393 2.1888 2.1888 2.3607 2.3607 2.4714 2.4714 2.5173 2.5173 2.6192 2.6192 2.6586 2.6586 3.7287 3.7287 6.0904 6.0904 7.1390 7.1390 7.5510 7.5510 9.4477 9.4477 10.0706 10.0706 10.8071 10.8071 11.6280 11.6280 14.6870 14.6870 14.9928 14.9928 16.0370 16.0370 k =-0.1509 0.1411 0.0000 ( 2367 PWs) bands (ev): -1.9705 -1.9705 -0.3607 -0.3607 1.7380 1.7380 1.8278 1.8278 1.8392 1.8392 2.1846 2.1846 2.3572 2.3572 2.4724 2.4724 2.5152 2.5152 2.6149 2.6149 2.6610 2.6610 3.7164 3.7164 6.1515 6.1515 7.0929 7.0929 7.4738 7.4738 9.4131 9.4131 10.0093 10.0093 10.7241 10.7241 11.7846 11.7846 14.5761 14.5761 15.0232 15.0232 16.1408 16.1408 k =-0.1604 0.1500 0.0000 ( 2359 PWs) bands (ev): -1.9358 -1.9358 -0.3571 -0.3571 1.7314 1.7314 1.8291 1.8291 1.8392 1.8392 2.1810 2.1810 2.3539 2.3539 2.4732 2.4732 2.5137 2.5137 2.6105 2.6105 2.6638 2.6638 3.7045 3.7045 6.2148 6.2148 7.0499 7.0499 7.3971 7.3971 9.3708 9.3708 9.9448 9.9448 10.6407 10.6407 11.9494 11.9494 14.3903 14.3903 15.1202 15.1202 16.2509 16.2509 k =-0.1698 0.1588 0.0000 ( 2359 PWs) bands (ev): -1.8997 -1.8997 -0.3543 -0.3543 1.7249 1.7249 1.8305 1.8305 1.8391 1.8391 2.1778 2.1778 2.3507 2.3507 2.4739 2.4739 2.5129 2.5129 2.6063 2.6063 2.6671 2.6671 3.6931 3.6931 6.2800 6.2800 7.0099 7.0099 7.3215 7.3215 9.3209 9.3209 9.8791 9.8791 10.5574 10.5574 12.1173 12.1173 14.1981 14.1981 15.2127 15.2127 16.3670 16.3670 k =-0.1792 0.1676 0.0000 ( 2359 PWs) bands (ev): -1.8622 -1.8622 -0.3523 -0.3523 1.7187 1.7187 1.8322 1.8322 1.8391 1.8391 2.1753 2.1753 2.3478 2.3478 2.4745 2.4745 2.5129 2.5129 2.6023 2.6023 2.6706 2.6706 3.6824 3.6824 6.3463 6.3463 6.9731 6.9731 7.2477 7.2477 9.2636 9.2636 9.8136 9.8136 10.4744 10.4744 12.2826 12.2826 14.0152 14.0152 15.2835 15.2835 16.4875 16.4875 k =-0.1887 0.1764 0.0000 ( 2361 PWs) bands (ev): -1.8235 -1.8235 -0.3512 -0.3512 1.7131 1.7131 1.8341 1.8341 1.8392 1.8392 2.1734 2.1734 2.3451 2.3451 2.4748 2.4748 2.5138 2.5138 2.5987 2.5987 2.6744 2.6744 3.6723 3.6723 6.4124 6.4124 6.9394 6.9394 7.1768 7.1768 9.1995 9.1995 9.7489 9.7489 10.3923 10.3923 12.4364 12.4364 13.8519 13.8519 15.3243 15.3243 16.5535 16.5535 k =-0.1981 0.1852 0.0000 ( 2363 PWs) bands (ev): -1.7838 -1.7838 -0.3511 -0.3511 1.7082 1.7082 1.8362 1.8362 1.8393 1.8393 2.1722 2.1722 2.3427 2.3427 2.4749 2.4749 2.5154 2.5154 2.5956 2.5956 2.6784 2.6784 3.6629 3.6629 6.4761 6.4761 6.9098 6.9098 7.1102 7.1102 9.1292 9.1292 9.6851 9.6851 10.3113 10.3113 12.5637 12.5637 13.7228 13.7228 15.3310 15.3310 16.4858 16.4858 k =-0.2075 0.1941 0.0000 ( 2359 PWs) bands (ev): -1.7432 -1.7432 -0.3522 -0.3522 1.7041 1.7041 1.8376 1.8376 1.8404 1.8404 2.1718 2.1718 2.3408 2.3408 2.4750 2.4750 2.5178 2.5178 2.5930 2.5930 2.6826 2.6826 3.6544 3.6544 6.5324 6.5324 6.8873 6.8873 7.0496 7.0496 9.0534 9.0534 9.6221 9.6221 10.2318 10.2318 12.6409 12.6409 13.6501 13.6501 15.3035 15.3035 16.4151 16.4151 k =-0.2170 0.2029 0.0000 ( 2359 PWs) bands (ev): -1.7019 -1.7019 -0.3545 -0.3545 1.7012 1.7012 1.8379 1.8379 1.8428 1.8428 2.1722 2.1722 2.3392 2.3392 2.4751 2.4751 2.5208 2.5208 2.5910 2.5910 2.6871 2.6871 3.6467 3.6467 6.5721 6.5721 6.8789 6.8789 6.9968 6.9968 8.9730 8.9730 9.5596 9.5596 10.1540 10.1540 12.6459 12.6459 13.6536 13.6536 15.2465 15.2465 16.3462 16.3462 k =-0.2264 0.2117 0.0000 ( 2355 PWs) bands (ev): -1.6601 -1.6601 -0.3580 -0.3580 1.6995 1.6995 1.8378 1.8378 1.8461 1.8461 2.1734 2.1734 2.3381 2.3381 2.4753 2.4753 2.5243 2.5243 2.5898 2.5898 2.6917 2.6917 3.6399 3.6399 6.5831 6.5831 6.8943 6.8943 6.9542 6.9542 8.8886 8.8886 9.4975 9.4975 10.0781 10.0781 12.5820 12.5820 13.7256 13.7256 15.1695 15.1695 16.2795 16.2795 k =-0.2358 0.2205 0.0000 ( 2351 PWs) bands (ev): -1.6179 -1.6179 -0.3628 -0.3628 1.6992 1.6992 1.8375 1.8375 1.8498 1.8498 2.1754 2.1754 2.3375 2.3375 2.4757 2.4757 2.5282 2.5282 2.5894 2.5894 2.6966 2.6966 3.6341 3.6341 6.5630 6.5630 6.9080 6.9080 6.9491 6.9491 8.8011 8.8011 9.4355 9.4355 10.0044 10.0044 12.4742 12.4742 13.8323 13.8323 15.0873 15.0873 16.2152 16.2152 k =-0.2453 0.2294 0.0000 ( 2347 PWs) bands (ev): -1.5755 -1.5755 -0.3687 -0.3687 1.7004 1.7004 1.8371 1.8371 1.8541 1.8541 2.1783 2.1783 2.3374 2.3374 2.4762 2.4762 2.5325 2.5325 2.5899 2.5899 2.7017 2.7017 3.6291 3.6291 6.5213 6.5213 6.8828 6.8828 7.0088 7.0088 8.7113 8.7113 9.3736 9.3736 9.9329 9.9329 12.3451 12.3451 13.9350 13.9350 15.0220 15.0220 16.1533 16.1533 k =-0.2547 0.2382 0.0000 ( 2353 PWs) bands (ev): -1.5332 -1.5332 -0.3760 -0.3760 1.7031 1.7031 1.8367 1.8367 1.8590 1.8590 2.1821 2.1821 2.3378 2.3378 2.4769 2.4769 2.5370 2.5370 2.5915 2.5915 2.7070 2.7070 3.6251 3.6251 6.4679 6.4679 6.8589 6.8589 7.0826 7.0826 8.6201 8.6201 9.3118 9.3118 9.8638 9.8638 12.2076 12.2076 13.9949 13.9949 15.0044 15.0044 16.0937 16.0937 k =-0.2642 0.2470 0.0000 ( 2347 PWs) bands (ev): -1.4911 -1.4911 -0.3843 -0.3843 1.7072 1.7072 1.8361 1.8361 1.8647 1.8647 2.1867 2.1867 2.3387 2.3387 2.4778 2.4778 2.5417 2.5417 2.5943 2.5943 2.7126 2.7126 3.6220 3.6220 6.4084 6.4084 6.8377 6.8377 7.1627 7.1627 8.5285 8.5285 9.2502 9.2502 9.7972 9.7972 12.0684 12.0684 13.9838 13.9838 15.0603 15.0603 16.0365 16.0365 k =-0.2736 0.2558 0.0000 ( 2347 PWs) bands (ev): -1.4495 -1.4495 -0.3938 -0.3938 1.7128 1.7128 1.8355 1.8355 1.8712 1.8712 2.1922 2.1922 2.3402 2.3402 2.4789 2.4789 2.5464 2.5464 2.5983 2.5983 2.7184 2.7184 3.6198 3.6198 6.3459 6.3459 6.8178 6.8178 7.2462 7.2462 8.4379 8.4379 9.1889 9.1889 9.7330 9.7330 11.9310 11.9310 13.9040 13.9040 15.1866 15.1866 15.9816 15.9816 k =-0.2830 0.2646 0.0000 ( 2343 PWs) bands (ev): -1.4085 -1.4085 -0.4043 -0.4043 1.7195 1.7195 1.8348 1.8348 1.8787 1.8787 2.1985 2.1985 2.3422 2.3422 2.4800 2.4800 2.5512 2.5512 2.6038 2.6038 2.7245 2.7245 3.6184 3.6184 6.2823 6.2823 6.7978 6.7978 7.3314 7.3314 8.3497 8.3497 9.1283 9.1283 9.6713 9.6713 11.7974 11.7974 13.7784 13.7784 15.3610 15.3610 15.9290 15.9290 k =-0.2925 0.2735 0.0000 ( 2343 PWs) bands (ev): -1.3683 -1.3683 -0.4157 -0.4157 1.7272 1.7272 1.8341 1.8341 1.8875 1.8875 2.2056 2.2056 2.3448 2.3448 2.4813 2.4813 2.5561 2.5561 2.6107 2.6107 2.7309 2.7309 3.6179 3.6179 6.2185 6.2185 6.7760 6.7760 7.4170 7.4170 8.2661 8.2661 9.0685 9.0685 9.6121 9.6121 11.6685 11.6685 13.6269 13.6269 15.5637 15.5637 15.8784 15.8784 k =-0.3019 0.2823 0.0000 ( 2339 PWs) bands (ev): -1.3292 -1.3292 -0.4278 -0.4278 1.7355 1.7355 1.8333 1.8333 1.8978 1.8978 2.2133 2.2133 2.3479 2.3479 2.4826 2.4826 2.5610 2.5610 2.6191 2.6191 2.7377 2.7377 3.6181 3.6181 6.1553 6.1553 6.7507 6.7507 7.5013 7.5013 8.1897 8.1897 9.0099 9.0099 9.5554 9.5554 11.5448 11.5448 13.4617 13.4617 15.7643 15.7643 15.8114 15.8114 k =-0.3113 0.2911 0.0000 ( 2331 PWs) bands (ev): -1.2913 -1.2913 -0.4406 -0.4406 1.7439 1.7439 1.8325 1.8325 1.9100 1.9100 2.2217 2.2217 2.3516 2.3516 2.4840 2.4840 2.5661 2.5661 2.6291 2.6291 2.7449 2.7449 3.6191 3.6191 6.0931 6.0931 6.7202 6.7202 7.5821 7.5821 8.1244 8.1244 8.9529 8.9529 9.5011 9.5011 11.4265 11.4265 13.2896 13.2896 15.6142 15.6142 15.7859 15.7859 k =-0.3208 0.2999 0.0000 ( 2331 PWs) bands (ev): -1.2548 -1.2548 -0.4538 -0.4538 1.7521 1.7521 1.8317 1.8317 1.9240 1.9240 2.2306 2.2306 2.3558 2.3558 2.4854 2.4854 2.5712 2.5712 2.6407 2.6407 2.7527 2.7527 3.6207 3.6207 6.0324 6.0324 6.6826 6.6826 7.6553 7.6553 8.0757 8.0757 8.8979 8.8979 9.4493 9.4493 11.3136 11.3136 13.1148 13.1148 15.4378 15.4378 15.7428 15.7428 k =-0.3302 0.3087 0.0000 ( 2331 PWs) bands (ev): -1.2199 -1.2199 -0.4674 -0.4674 1.7597 1.7597 1.8309 1.8309 1.9400 1.9400 2.2399 2.2399 2.3606 2.3606 2.4867 2.4867 2.5766 2.5766 2.6539 2.6539 2.7613 2.7613 3.6229 3.6229 5.9734 5.9734 6.6363 6.6363 7.7144 7.7144 8.0516 8.0516 8.8455 8.8455 9.3999 9.3999 11.2057 11.2057 12.9403 12.9403 15.2644 15.2644 15.7019 15.7019 k =-0.3396 0.3176 0.0000 ( 2333 PWs) bands (ev): -1.1868 -1.1868 -0.4811 -0.4811 1.7665 1.7665 1.8301 1.8301 1.9580 1.9580 2.2494 2.2494 2.3659 2.3659 2.4881 2.4881 2.5820 2.5820 2.6686 2.6686 2.7710 2.7710 3.6255 3.6255 5.9164 5.9164 6.5801 6.5801 7.7523 7.7523 8.0600 8.0600 8.7964 8.7964 9.3530 9.3530 11.1024 11.1024 12.7681 12.7681 15.0950 15.0950 15.6633 15.6633 k =-0.3491 0.3264 0.0000 ( 2333 PWs) bands (ev): -1.1554 -1.1554 -0.4949 -0.4949 1.7724 1.7724 1.8294 1.8294 1.9775 1.9775 2.2590 2.2590 2.3717 2.3717 2.4893 2.4893 2.5875 2.5875 2.6846 2.6846 2.7824 2.7824 3.6285 3.6285 5.8615 5.8615 6.5135 6.5135 7.7706 7.7706 8.0988 8.0988 8.7514 8.7514 9.3087 9.3087 11.0032 11.0032 12.5998 12.5998 14.9301 14.9301 15.6270 15.6270 k =-0.3585 0.3352 0.0000 ( 2333 PWs) bands (ev): -1.1260 -1.1260 -0.5085 -0.5085 1.7773 1.7773 1.8287 1.8287 1.9981 1.9981 2.2686 2.2686 2.3779 2.3779 2.4904 2.4904 2.5931 2.5931 2.7013 2.7013 2.7963 2.7963 3.6316 3.6316 5.8090 5.8090 6.4369 6.4369 7.7806 7.7806 8.1553 8.1553 8.7122 8.7122 9.2668 9.2668 10.9074 10.9074 12.4370 12.4370 14.7701 14.7701 15.5929 15.5929 k =-0.3679 0.3440 0.0000 ( 2327 PWs) bands (ev): -1.0986 -1.0986 -0.5218 -0.5218 1.7812 1.7812 1.8281 1.8281 2.0193 2.0193 2.2779 2.2779 2.3847 2.3847 2.4915 2.4915 2.5987 2.5987 2.7178 2.7178 2.8139 2.8139 3.6349 3.6349 5.7590 5.7590 6.3514 6.3514 7.7919 7.7919 8.2165 8.2165 8.6812 8.6812 9.2275 9.2275 10.8143 10.8143 12.2808 12.2808 14.6155 14.6155 15.5611 15.5611 k =-0.3774 0.3529 0.0000 ( 2331 PWs) bands (ev): -1.0733 -1.0733 -0.5346 -0.5346 1.7844 1.7844 1.8276 1.8276 2.0405 2.0405 2.2869 2.2869 2.3919 2.3919 2.4924 2.4924 2.6042 2.6042 2.7331 2.7331 2.8365 2.8365 3.6380 3.6380 5.7116 5.7116 6.2588 6.2588 7.8089 7.8089 8.2724 8.2724 8.6625 8.6625 9.1909 9.1909 10.7232 10.7232 12.1327 12.1327 14.4667 14.4667 15.5316 15.5316 k =-0.3868 0.3617 0.0000 ( 2339 PWs) bands (ev): -1.0502 -1.0502 -0.5470 -0.5470 1.7868 1.7868 1.8271 1.8271 2.0612 2.0612 2.2953 2.2953 2.3994 2.3994 2.4931 2.4931 2.6095 2.6095 2.7464 2.7464 2.8651 2.8651 3.6409 3.6409 5.6670 5.6670 6.1607 6.1607 7.8328 7.8328 8.3140 8.3140 8.6619 8.6619 9.1571 9.1571 10.6335 10.6335 11.9936 11.9936 14.3244 14.3244 15.5042 15.5042 k =-0.3962 0.3705 0.0000 ( 2333 PWs) bands (ev): -1.0291 -1.0291 -0.5586 -0.5586 1.7887 1.7887 1.8267 1.8267 2.0809 2.0809 2.3032 2.3032 2.4071 2.4071 2.4936 2.4936 2.6147 2.6147 2.7576 2.7576 2.8997 2.8997 3.6432 3.6432 5.6254 5.6254 6.0594 6.0594 7.8637 7.8637 8.3354 8.3354 8.6835 8.6835 9.1262 9.1262 10.5445 10.5445 11.8648 11.8648 14.1891 14.1891 15.4791 15.4791 k =-0.4057 0.3793 0.0000 ( 2329 PWs) bands (ev): -1.0102 -1.0102 -0.5694 -0.5694 1.7900 1.7900 1.8264 1.8264 2.0993 2.0993 2.3103 2.3103 2.4150 2.4150 2.4939 2.4939 2.6195 2.6195 2.7670 2.7670 2.9398 2.9398 3.6448 3.6448 5.5869 5.5869 5.9567 5.9567 7.9005 7.9005 8.3383 8.3383 8.7241 8.7241 9.0986 9.0986 10.4558 10.4558 11.7471 11.7471 14.0614 14.0614 15.4563 15.4563 k =-0.4151 0.3881 0.0000 ( 2327 PWs) bands (ev): -0.9934 -0.9934 -0.5794 -0.5794 1.7910 1.7910 1.8262 1.8262 2.1159 2.1159 2.3167 2.3167 2.4228 2.4228 2.4940 2.4940 2.6240 2.6240 2.7749 2.7749 2.9847 2.9847 3.6454 3.6454 5.5516 5.5516 5.8546 5.8546 7.9422 7.9422 8.3294 8.3294 8.7757 8.7757 9.0748 9.0748 10.3675 10.3675 11.6411 11.6411 13.9421 13.9421 15.4356 15.4356 k =-0.4245 0.3970 0.0000 ( 2325 PWs) bands (ev): -0.9787 -0.9787 -0.5884 -0.5884 1.7917 1.7917 1.8260 1.8260 2.1308 2.1308 2.3224 2.3224 2.4305 2.4305 2.4938 2.4938 2.6282 2.6282 2.7817 2.7817 3.0333 3.0333 3.6447 3.6447 5.5196 5.5196 5.7550 5.7550 7.9875 7.9875 8.3150 8.3150 8.8302 8.8302 9.0557 9.0557 10.2798 10.2798 11.5474 11.5474 13.8319 13.8319 15.4171 15.4171 k =-0.4340 0.4058 0.0000 ( 2317 PWs) bands (ev): -0.9660 -0.9660 -0.5963 -0.5963 1.7921 1.7921 1.8258 1.8258 2.1439 2.1439 2.3273 2.3273 2.4379 2.4379 2.4933 2.4933 2.6319 2.6319 2.7875 2.7875 3.0846 3.0846 3.6424 3.6424 5.4910 5.4910 5.6598 5.6598 8.0346 8.0346 8.2990 8.2990 8.8804 8.8804 9.0441 9.0441 10.1936 10.1936 11.4661 11.4661 13.7318 13.7318 15.4008 15.4008 k =-0.4434 0.4146 0.0000 ( 2323 PWs) bands (ev): -0.9552 -0.9552 -0.6033 -0.6033 1.7924 1.7924 1.8257 1.8257 2.1550 2.1550 2.3314 2.3314 2.4449 2.4449 2.4925 2.4925 2.6352 2.6352 2.7924 2.7924 3.1371 3.1371 3.6383 3.6383 5.4659 5.4659 5.5713 5.5713 8.0816 8.0816 8.2838 8.2838 8.9178 8.9178 9.0453 9.0453 10.1104 10.1104 11.3969 11.3969 13.6425 13.6425 15.3867 15.3867 k =-0.4528 0.4234 0.0000 ( 2319 PWs) bands (ev): -0.9462 -0.9462 -0.6091 -0.6091 1.7925 1.7925 1.8256 1.8256 2.1644 2.1644 2.3349 2.3349 2.4515 2.4515 2.4914 2.4914 2.6381 2.6381 2.7965 2.7965 3.1892 3.1892 3.6320 3.6320 5.4439 5.4439 5.4916 5.4916 8.1259 8.1259 8.2715 8.2715 8.9354 8.9354 9.0646 9.0646 10.0320 10.0320 11.3396 11.3396 13.5650 13.5650 15.3748 15.3748 k =-0.4623 0.4322 0.0000 ( 2319 PWs) bands (ev): -0.9390 -0.9390 -0.6139 -0.6139 1.7926 1.7926 1.8255 1.8255 2.1719 2.1719 2.3377 2.3377 2.4575 2.4575 2.4899 2.4899 2.6404 2.6404 2.7999 2.7999 3.2391 3.2391 3.6236 3.6236 5.4157 5.4157 5.4326 5.4326 8.1637 8.1637 8.2644 8.2644 8.9381 8.9381 9.0951 9.0951 9.9610 9.9610 11.2936 11.2936 13.5001 13.5001 15.3650 15.3650 k =-0.4717 0.4411 0.0000 ( 2311 PWs) bands (ev): -0.9336 -0.9336 -0.6176 -0.6176 1.7927 1.7927 1.8254 1.8254 2.1777 2.1777 2.3399 2.3399 2.4629 2.4629 2.4881 2.4881 2.6422 2.6422 2.8025 2.8025 3.2842 3.2842 3.6135 3.6135 5.3623 5.3623 5.4151 5.4151 8.1894 8.1894 8.2659 8.2659 8.9353 8.9353 9.1263 9.1263 9.9002 9.9002 11.2586 11.2586 13.4486 13.4486 15.3574 15.3574 k =-0.4811 0.4499 0.0000 ( 2316 PWs) bands (ev): -0.9297 -0.9297 -0.6202 -0.6202 1.7927 1.7927 1.8254 1.8254 2.1818 2.1818 2.3414 2.3414 2.4675 2.4675 2.4861 2.4861 2.6436 2.6436 2.8044 2.8044 3.3215 3.3215 3.6028 3.6028 5.3203 5.3203 5.4049 5.4049 8.2005 8.2005 8.2764 8.2764 8.9317 8.9317 9.1519 9.1519 9.8532 9.8532 11.2339 11.2339 13.4113 13.4113 15.3520 15.3520 k =-0.4906 0.4587 0.0000 ( 2320 PWs) bands (ev): -0.9274 -0.9274 -0.6218 -0.6218 1.7927 1.7927 1.8254 1.8254 2.1842 2.1842 2.3423 2.3423 2.4711 2.4711 2.4841 2.4841 2.6444 2.6444 2.8055 2.8055 3.3469 3.3469 3.5942 3.5942 5.2942 5.2942 5.3988 5.3988 8.2033 8.2033 8.2877 8.2877 8.9291 8.9291 9.1685 9.1685 9.8232 9.8232 11.2192 11.2192 13.3887 13.3887 15.3488 15.3488 k =-0.5000 0.4675 0.0000 ( 2322 PWs) bands (ev): -0.9266 -0.9266 -0.6223 -0.6223 1.7927 1.7927 1.8254 1.8254 2.1850 2.1850 2.3426 2.3426 2.4726 2.4726 2.4831 2.4831 2.6446 2.6446 2.8059 2.8059 3.3561 3.3561 3.5908 3.5908 5.2854 5.2854 5.3968 5.3968 8.2037 8.2037 8.2922 8.2922 8.9282 8.9282 9.1743 9.1743 9.8129 9.8129 11.2144 11.2144 13.3811 13.3811 15.3477 15.3477 k =-0.5000 0.4675 0.0000 ( 2322 PWs) bands (ev): -0.9266 -0.9266 -0.6223 -0.6223 1.7927 1.7927 1.8254 1.8254 2.1850 2.1850 2.3426 2.3426 2.4726 2.4726 2.4831 2.4831 2.6446 2.6446 2.8059 2.8059 3.3561 3.3561 3.5908 3.5908 5.2854 5.2854 5.3968 5.3968 8.2037 8.2037 8.2922 8.2922 8.9282 8.9282 9.1743 9.1743 9.8129 9.8129 11.2144 11.2144 13.3811 13.3811 15.3477 15.3477 k =-0.4921 0.4759-0.0000 ( 2322 PWs) bands (ev): -0.9269 -0.9269 -0.6217 -0.6217 1.7925 1.7925 1.8254 1.8254 2.1848 2.1848 2.3422 2.3422 2.4726 2.4726 2.4830 2.4830 2.6445 2.6445 2.8057 2.8057 3.3555 3.3555 3.5848 3.5848 5.2550 5.2550 5.4363 5.4363 8.1940 8.1940 8.2956 8.2956 8.9275 8.9275 9.1771 9.1771 9.8154 9.8154 11.2230 11.2230 13.3807 13.3807 15.3531 15.3531 k =-0.4843 0.4843-0.0000 ( 2330 PWs) bands (ev): -0.9275 -0.9275 -0.6197 -0.6197 1.7921 1.7921 1.8256 1.8256 2.1840 2.1840 2.3409 2.3409 2.4726 2.4726 2.4824 2.4824 2.6443 2.6443 2.8052 2.8052 3.3538 3.3538 3.5672 3.5672 5.2060 5.2060 5.5120 5.5120 8.1692 8.1692 8.3018 8.3018 8.9260 8.9260 9.1850 9.1850 9.8230 9.8230 11.2485 11.2485 13.3794 13.3794 15.3690 15.3690 k =-0.4764 0.4927-0.0000 ( 2330 PWs) bands (ev): -0.9287 -0.9287 -0.6164 -0.6164 1.7915 1.7915 1.8260 1.8260 2.1828 2.1828 2.3388 2.3388 2.4727 2.4727 2.4816 2.4816 2.6438 2.6438 2.8044 2.8044 3.3511 3.3511 3.5386 3.5386 5.1612 5.1612 5.6007 5.6007 8.1347 8.1347 8.3057 8.3057 8.9243 8.9243 9.1975 9.1975 9.8357 9.8357 11.2907 11.2907 13.3775 13.3775 15.3955 15.3955 k =-0.4686 0.5011-0.0000 ( 2324 PWs) bands (ev): -0.9303 -0.9303 -0.6118 -0.6118 1.7907 1.7907 1.8264 1.8264 2.1810 2.1810 2.3358 2.3358 2.4726 2.4726 2.4806 2.4806 2.6431 2.6431 2.8032 2.8032 3.3472 3.3472 3.5003 3.5003 5.1239 5.1239 5.6977 5.6977 8.0935 8.0935 8.3048 8.3048 8.9236 8.9236 9.2135 9.2135 9.8536 9.8536 11.3485 11.3485 13.3751 13.3751 15.4320 15.4320 k =-0.4686 0.5011-0.0000 ( 2324 PWs) bands (ev): -0.9303 -0.9303 -0.6118 -0.6118 1.7907 1.7907 1.8264 1.8264 2.1810 2.1810 2.3358 2.3358 2.4726 2.4726 2.4806 2.4806 2.6431 2.6431 2.8032 2.8032 3.3472 3.3472 3.5003 3.5003 5.1239 5.1239 5.6977 5.6977 8.0935 8.0935 8.3048 8.3048 8.9236 8.9236 9.2135 9.2135 9.8536 9.8536 11.3485 11.3485 13.3751 13.3751 15.4320 15.4320 k =-0.4686 0.5011 0.0129 ( 2324 PWs) bands (ev): -0.9296 -0.9296 -0.6115 -0.6115 1.7907 1.7907 1.8263 1.8263 2.1805 2.1805 2.3356 2.3356 2.4719 2.4719 2.4809 2.4809 2.6434 2.6434 2.8030 2.8030 3.3474 3.3474 3.5010 3.5010 5.1253 5.1253 5.6987 5.6987 8.0602 8.0602 8.3293 8.3293 8.9191 8.9191 9.1826 9.1826 9.8918 9.8918 11.3493 11.3493 13.3873 13.3873 15.4377 15.4377 k =-0.4686 0.5011 0.0257 ( 2326 PWs) bands (ev): -0.9278 -0.9278 -0.6108 -0.6108 1.7910 1.7910 1.8261 1.8261 2.1791 2.1791 2.3350 2.3350 2.4702 2.4702 2.4816 2.4816 2.6442 2.6442 2.8024 2.8024 3.3479 3.3479 3.5030 3.5030 5.1292 5.1292 5.7017 5.7017 7.9862 7.9862 8.3757 8.3757 8.9046 8.9046 9.1083 9.1083 9.9892 9.9892 11.3521 11.3521 13.4234 13.4234 15.4549 15.4549 k =-0.4686 0.5011 0.0386 ( 2322 PWs) bands (ev): -0.9246 -0.9246 -0.6097 -0.6097 1.7914 1.7914 1.8257 1.8257 2.1769 2.1769 2.3341 2.3341 2.4681 2.4681 2.4821 2.4821 2.6455 2.6455 2.8014 2.8014 3.3488 3.3488 3.5064 3.5064 5.1358 5.1358 5.7067 5.7067 7.8966 7.8966 8.4166 8.4166 8.8749 8.8749 9.0240 9.0240 10.1202 10.1202 11.3589 11.3589 13.4821 13.4821 15.4834 15.4834 k =-0.4686 0.5011 0.0515 ( 2324 PWs) bands (ev): -0.9202 -0.9202 -0.6081 -0.6081 1.7918 1.7918 1.8252 1.8252 2.1739 2.1739 2.3329 2.3329 2.4657 2.4657 2.4822 2.4822 2.6471 2.6471 2.8002 2.8002 3.3500 3.3500 3.5110 3.5110 5.1450 5.1450 5.7136 5.7136 7.8002 7.8002 8.4383 8.4383 8.8198 8.8198 8.9594 8.9594 10.2696 10.2696 11.3719 11.3719 13.5614 13.5614 15.5229 15.5229 k =-0.4686 0.5011 0.0643 ( 2322 PWs) bands (ev): -0.9146 -0.9146 -0.6061 -0.6061 1.7923 1.7923 1.8245 1.8245 2.1703 2.1703 2.3313 2.3313 2.4634 2.4634 2.4818 2.4818 2.6490 2.6490 2.7987 2.7987 3.3517 3.3517 3.5168 3.5168 5.1566 5.1566 5.7226 5.7226 7.7004 7.7004 8.4306 8.4306 8.7461 8.7461 8.9214 8.9214 10.4301 10.4301 11.3941 11.3941 13.6592 13.6592 15.5733 15.5733 k =-0.4686 0.5011 0.0772 ( 2323 PWs) bands (ev): -0.9079 -0.9079 -0.6038 -0.6038 1.7927 1.7927 1.8236 1.8236 2.1663 2.1663 2.3293 2.3293 2.4611 2.4611 2.4808 2.4808 2.6508 2.6508 2.7970 2.7970 3.3537 3.3537 3.5236 3.5236 5.1707 5.1707 5.7336 5.7336 7.5992 7.5992 8.3870 8.3870 8.6756 8.6756 8.8963 8.8963 10.5981 10.5981 11.4280 11.4280 13.7730 13.7730 15.6342 15.6342 k =-0.4686 0.5011 0.0901 ( 2321 PWs) bands (ev): -0.9000 -0.9000 -0.6011 -0.6011 1.7929 1.7929 1.8227 1.8227 2.1621 2.1621 2.3270 2.3270 2.4590 2.4590 2.4793 2.4793 2.6526 2.6526 2.7953 2.7953 3.3562 3.3562 3.5313 3.5313 5.1871 5.1871 5.7467 5.7467 7.4978 7.4978 8.3124 8.3124 8.6138 8.6138 8.8749 8.8749 10.7718 10.7718 11.4755 11.4755 13.9007 13.9007 15.7053 15.7053 k =-0.4686 0.5011 0.1029 ( 2325 PWs) bands (ev): -0.8910 -0.8910 -0.5981 -0.5981 1.7929 1.7929 1.8216 1.8216 2.1579 2.1579 2.3243 2.3243 2.4571 2.4571 2.4773 2.4773 2.6541 2.6541 2.7935 2.7935 3.3592 3.3592 3.5397 3.5397 5.2058 5.2058 5.7619 5.7619 7.3973 7.3973 8.2199 8.2199 8.5539 8.5539 8.8523 8.8523 10.9497 10.9497 11.5380 11.5380 14.0404 14.0404 15.7860 15.7860 k =-0.4686 0.5011 0.1158 ( 2325 PWs) bands (ev): -0.8811 -0.8811 -0.5949 -0.5949 1.7925 1.7925 1.8203 1.8203 2.1539 2.1539 2.3212 2.3212 2.4554 2.4554 2.4749 2.4749 2.6551 2.6551 2.7919 2.7919 3.3627 3.3627 3.5486 3.5486 5.2266 5.2266 5.7791 5.7791 7.2982 7.2982 8.1202 8.1202 8.4903 8.4903 8.8249 8.8249 11.1312 11.1312 11.6157 11.6157 14.1902 14.1902 15.8761 15.8761 k =-0.4686 0.5011 0.1287 ( 2324 PWs) bands (ev): -0.8701 -0.8701 -0.5915 -0.5915 1.7916 1.7916 1.8190 1.8190 2.1503 2.1503 2.3178 2.3178 2.4540 2.4540 2.4723 2.4723 2.6557 2.6557 2.7903 2.7903 3.3667 3.3667 3.5578 3.5578 5.2495 5.2495 5.7985 5.7985 7.2011 7.2011 8.0194 8.0194 8.4210 8.4210 8.7909 8.7909 11.3155 11.3155 11.7083 11.7083 14.3487 14.3487 15.9750 15.9750 k =-0.4686 0.5011 0.1416 ( 2320 PWs) bands (ev): -0.8583 -0.8583 -0.5879 -0.5879 1.7901 1.7901 1.8175 1.8175 2.1473 2.1473 2.3139 2.3139 2.4527 2.4527 2.4696 2.4696 2.6559 2.6559 2.7888 2.7888 3.3712 3.3712 3.5671 3.5671 5.2742 5.2742 5.8198 5.8198 7.1066 7.1066 7.9208 7.9208 8.3460 8.3460 8.7496 8.7496 11.5020 11.5020 11.8148 11.8148 14.5145 14.5145 16.0824 16.0824 k =-0.4686 0.5011 0.1544 ( 2318 PWs) bands (ev): -0.8457 -0.8457 -0.5843 -0.5843 1.7881 1.7881 1.8159 1.8159 2.1449 2.1449 2.3095 2.3095 2.4515 2.4515 2.4670 2.4670 2.6556 2.6556 2.7874 2.7874 3.3763 3.3763 3.5763 3.5763 5.3008 5.3008 5.8432 5.8432 7.0149 7.0149 7.8262 7.8262 8.2658 8.2658 8.7014 8.7014 11.6904 11.6904 11.9340 11.9340 14.6865 14.6865 16.1978 16.1978 k =-0.4686 0.5011 0.1673 ( 2316 PWs) bands (ev): -0.8324 -0.8324 -0.5808 -0.5808 1.7854 1.7854 1.8141 1.8141 2.1433 2.1433 2.3046 2.3046 2.4506 2.4506 2.4645 2.4645 2.6549 2.6549 2.7860 2.7860 3.3819 3.3819 3.5852 3.5852 5.3291 5.3291 5.8685 5.8685 6.9263 6.9263 7.7369 7.7369 8.1812 8.1812 8.6468 8.6468 11.8799 11.8799 12.0643 12.0643 14.8635 14.8635 16.3207 16.3207 k =-0.4686 0.5011 0.1802 ( 2314 PWs) bands (ev): -0.8185 -0.8185 -0.5773 -0.5773 1.7823 1.7823 1.8121 1.8121 2.1424 2.1424 2.2993 2.2993 2.4497 2.4497 2.4623 2.4623 2.6541 2.6541 2.7845 2.7845 3.3881 3.3881 3.5936 3.5936 5.3590 5.3590 5.8956 5.8956 6.8412 6.8412 7.6537 7.6537 8.0931 8.0931 8.5868 8.5868 12.0700 12.0700 12.2043 12.2043 15.0445 15.0445 16.4507 16.4507 k =-0.4686 0.5011 0.1930 ( 2319 PWs) bands (ev): -0.8040 -0.8040 -0.5740 -0.5740 1.7787 1.7787 1.8099 1.8099 2.1423 2.1423 2.2936 2.2936 2.4490 2.4490 2.4606 2.4606 2.6531 2.6531 2.7829 2.7829 3.3949 3.3949 3.6012 3.6012 5.3903 5.3903 5.9244 5.9244 6.7597 6.7597 7.5773 7.5773 8.0023 8.0023 8.5223 8.5223 12.2599 12.2599 12.3526 12.3526 15.2287 15.2287 16.5875 16.5875 k =-0.4686 0.5011 0.2059 ( 2323 PWs) bands (ev): -0.7891 -0.7891 -0.5710 -0.5710 1.7748 1.7748 1.8073 1.8073 2.1430 2.1430 2.2874 2.2874 2.4483 2.4483 2.4593 2.4593 2.6522 2.6522 2.7810 2.7810 3.4023 3.4023 3.6078 3.6078 5.4229 5.4229 5.9547 5.9547 6.6821 6.6821 7.5083 7.5083 7.9094 7.9094 8.4544 8.4544 12.4486 12.4486 12.5081 12.5081 15.4149 15.4149 16.7305 16.7305 k =-0.4686 0.5011 0.2188 ( 2323 PWs) bands (ev): -0.7740 -0.7740 -0.5683 -0.5683 1.7707 1.7707 1.8044 1.8044 2.1443 2.1443 2.2809 2.2809 2.4476 2.4476 2.4586 2.4586 2.6515 2.6515 2.7787 2.7787 3.4103 3.4103 3.6133 3.6133 5.4567 5.4567 5.9864 5.9864 6.6086 6.6086 7.4471 7.4471 7.8153 7.8153 8.3837 8.3837 12.6336 12.6336 12.6710 12.6710 15.6023 15.6023 16.8795 16.8795 k =-0.4686 0.5011 0.2316 ( 2322 PWs) bands (ev): -0.7586 -0.7586 -0.5661 -0.5661 1.7665 1.7665 1.8012 1.8012 2.1462 2.1462 2.2741 2.2741 2.4470 2.4470 2.4584 2.4584 2.6513 2.6513 2.7760 2.7760 3.4189 3.4189 3.6175 3.6175 5.4914 5.4914 6.0190 6.0190 6.5395 6.5395 7.3941 7.3941 7.7206 7.7206 8.3111 8.3111 12.8109 12.8109 12.8431 12.8431 15.7898 15.7898 17.0340 17.0340 k =-0.4686 0.5011 0.2445 ( 2330 PWs) bands (ev): -0.7431 -0.7431 -0.5644 -0.5644 1.7625 1.7625 1.7976 1.7976 2.1486 2.1486 2.2671 2.2671 2.4465 2.4465 2.4586 2.4586 2.6516 2.6516 2.7729 2.7729 3.4281 3.4281 3.6203 3.6203 5.5269 5.5269 6.0522 6.0522 6.4752 6.4752 7.3495 7.3495 7.6263 7.6263 8.2372 8.2372 12.9809 12.9809 13.0215 13.0215 15.9761 15.9761 17.1935 17.1935 k =-0.4686 0.5011 0.2574 ( 2336 PWs) bands (ev): -0.7277 -0.7277 -0.5633 -0.5633 1.7586 1.7586 1.7937 1.7937 2.1513 2.1513 2.2599 2.2599 2.4461 2.4461 2.4591 2.4591 2.6526 2.6526 2.7692 2.7692 3.4378 3.4378 3.6216 3.6216 5.5629 5.5629 6.0850 6.0850 6.4165 6.4165 7.3132 7.3132 7.5333 7.5333 8.1627 8.1627 13.1475 13.1475 13.1993 13.1993 16.1599 16.1599 17.3575 17.3575 k =-0.4686 0.5011 0.2702 ( 2336 PWs) bands (ev): -0.7125 -0.7125 -0.5629 -0.5629 1.7552 1.7552 1.7895 1.7895 2.1544 2.1544 2.2526 2.2526 2.4459 2.4459 2.4598 2.4598 2.6544 2.6544 2.7650 2.7650 3.4481 3.4481 3.6214 3.6214 5.5991 5.5991 6.1156 6.1156 6.3656 6.3656 7.2836 7.2836 7.4437 7.4437 8.0882 8.0882 13.3115 13.3115 13.3725 13.3725 16.3396 16.3396 17.5253 17.5253 k =-0.4686 0.5011 0.2831 ( 2327 PWs) bands (ev): -0.6975 -0.6975 -0.5633 -0.5633 1.7521 1.7521 1.7850 1.7850 2.1578 2.1578 2.2454 2.2454 2.4458 2.4458 2.4606 2.4606 2.6570 2.6570 2.7602 2.7602 3.4589 3.4589 3.6195 3.6195 5.6353 5.6353 6.1390 6.1390 6.3273 6.3273 7.2551 7.2551 7.3638 7.3638 8.0141 8.0141 13.4716 13.4716 13.5389 13.5389 16.5135 16.5135 17.6963 17.6963 k =-0.4686 0.5011 0.2960 ( 2325 PWs) bands (ev): -0.6829 -0.6829 -0.5645 -0.5645 1.7497 1.7497 1.7805 1.7805 2.1614 2.1614 2.2382 2.2382 2.4458 2.4458 2.4616 2.4616 2.6605 2.6605 2.7548 2.7548 3.4701 3.4701 3.6161 3.6161 5.6712 5.6712 6.1452 6.1452 6.3118 6.3118 7.2088 7.2088 7.3130 7.3130 7.9409 7.9409 13.6258 13.6258 13.6959 13.6959 16.6793 16.6793 17.8693 17.8693 k =-0.4686 0.5011 0.3088 ( 2327 PWs) bands (ev): -0.6689 -0.6689 -0.5665 -0.5665 1.7478 1.7478 1.7758 1.7758 2.1653 2.1653 2.2311 2.2311 2.4459 2.4459 2.4624 2.4624 2.6649 2.6649 2.7489 2.7489 3.4818 3.4818 3.6112 3.6112 5.7065 5.7065 6.1284 6.1284 6.3249 6.3249 7.1366 7.1366 7.2994 7.2994 7.8693 7.8693 13.7717 13.7717 13.8409 13.8409 16.8350 16.8350 18.0426 18.0426 k =-0.4686 0.5011 0.3217 ( 2331 PWs) bands (ev): -0.6554 -0.6554 -0.5696 -0.5696 1.7467 1.7467 1.7712 1.7712 2.1693 2.1693 2.2243 2.2243 2.4460 2.4460 2.4633 2.4633 2.6701 2.6701 2.7425 2.7425 3.4937 3.4937 3.6048 3.6048 5.7411 5.7411 6.0978 6.0978 6.3577 6.3577 7.0562 7.0562 7.3056 7.3056 7.7997 7.7997 13.9061 13.9061 13.9710 13.9710 16.9784 16.9784 18.1716 18.1716 k =-0.4686 0.5011 0.3346 ( 2335 PWs) bands (ev): -0.6426 -0.6426 -0.5736 -0.5736 1.7463 1.7463 1.7667 1.7667 2.1736 2.1736 2.2176 2.2176 2.4462 2.4462 2.4640 2.4640 2.6761 2.6761 2.7356 2.7356 3.5058 3.5058 3.5972 3.5972 5.7749 5.7749 6.0626 6.0626 6.4007 6.4007 6.9760 6.9760 7.3230 7.3230 7.7329 7.7329 14.0256 14.0256 14.0829 14.0829 17.1080 17.1080 18.0243 18.0243 k =-0.4686 0.5011 0.3474 ( 2339 PWs) bands (ev): -0.6306 -0.6306 -0.5787 -0.5787 1.7466 1.7466 1.7624 1.7624 2.1780 2.1780 2.2113 2.2113 2.4463 2.4463 2.4645 2.4645 2.6827 2.6827 2.7284 2.7284 3.5179 3.5179 3.5886 3.5886 5.8075 5.8075 6.0272 6.0272 6.4490 6.4490 6.8991 6.8991 7.3487 7.3487 7.6698 7.6698 14.1264 14.1264 14.1729 14.1729 17.2242 17.2242 17.8804 17.8804 k =-0.4686 0.5011 0.3603 ( 2342 PWs) bands (ev): -0.6195 -0.6195 -0.5848 -0.5848 1.7477 1.7477 1.7584 1.7584 2.1827 2.1827 2.2052 2.2052 2.4464 2.4464 2.4649 2.4649 2.6898 2.6898 2.7209 2.7209 3.5297 3.5297 3.5791 3.5791 5.8386 5.8386 5.9935 5.9935 6.4993 6.4993 6.8284 6.8284 7.3801 7.3801 7.6121 7.6121 14.2046 14.2046 14.2377 14.2377 17.3291 17.3291 17.7505 17.7505 k =-0.4686 0.5011 0.3732 ( 2346 PWs) bands (ev): -0.6093 -0.6093 -0.5919 -0.5919 1.7494 1.7494 1.7549 1.7549 2.1875 2.1875 2.1996 2.1996 2.4465 2.4465 2.4652 2.4652 2.6971 2.6971 2.7133 2.7133 3.5406 3.5406 3.5697 3.5697 5.8660 5.8660 5.9644 5.9644 6.5449 6.5449 6.7705 6.7705 7.4122 7.4122 7.5642 7.5642 14.2564 14.2564 14.2747 14.2747 17.4275 17.4275 17.6346 17.6346 k =-0.4686 0.5011 0.3861 ( 2348 PWs) bands (ev): -0.6008 -0.6008 -0.5994 -0.5994 1.7517 1.7517 1.7520 1.7520 2.1907 2.1907 2.1960 2.1960 2.4465 2.4465 2.4653 2.4653 2.7030 2.7030 2.7074 2.7074 3.5467 3.5467 3.5641 3.5641 5.8796 5.8796 5.9502 5.9502 6.5668 6.5668 6.7446 6.7446 7.4294 7.4294 7.5419 7.5419 14.2769 14.2769 14.2843 14.2843 17.5118 17.5118 17.5439 17.5439 k =-0.4686 0.5011 0.3861 ( 2348 PWs) bands (ev): -0.6008 -0.6008 -0.5994 -0.5994 1.7517 1.7517 1.7520 1.7520 2.1907 2.1907 2.1960 2.1960 2.4465 2.4465 2.4653 2.4653 2.7030 2.7030 2.7074 2.7074 3.5467 3.5467 3.5641 3.5641 5.8796 5.8796 5.9502 5.9502 6.5668 6.5668 6.7446 6.7446 7.4294 7.4294 7.5419 7.5419 14.2769 14.2769 14.2843 14.2843 17.5118 17.5118 17.5439 17.5439 k =-0.4764 0.4927 0.3861 ( 2340 PWs) bands (ev): -0.6028 -0.6028 -0.6018 -0.6018 1.7522 1.7522 1.7523 1.7523 2.1940 2.1940 2.1978 2.1978 2.4500 2.4500 2.4640 2.4640 2.7046 2.7046 2.7080 2.7080 3.5659 3.5659 3.5791 3.5791 5.8929 5.8929 5.9472 5.9472 6.6341 6.6341 6.7960 6.7960 7.3157 7.3157 7.4273 7.4273 14.2749 14.2749 14.2805 14.2805 17.5741 17.5741 17.5993 17.5993 k =-0.4843 0.4843 0.3861 ( 2340 PWs) bands (ev): -0.6042 -0.6042 -0.6035 -0.6035 1.7525 1.7525 1.7526 1.7526 2.1964 2.1964 2.1989 2.1989 2.4531 2.4531 2.4624 2.4624 2.7060 2.7060 2.7083 2.7083 3.5804 3.5804 3.5893 3.5893 5.9051 5.9051 5.9419 5.9419 6.7077 6.7077 6.8448 6.8448 7.2197 7.2197 7.3228 7.3228 14.2737 14.2737 14.2775 14.2775 17.6240 17.6240 17.6415 17.6415 k =-0.4921 0.4759 0.3861 ( 2336 PWs) bands (ev): -0.6049 -0.6049 -0.6046 -0.6046 1.7527 1.7527 1.7528 1.7528 2.1981 2.1981 2.1993 2.1993 2.4559 2.4559 2.4605 2.4605 2.7071 2.7071 2.7082 2.7082 3.5900 3.5900 3.5945 3.5945 5.9162 5.9162 5.9347 5.9347 6.7827 6.7827 6.8711 6.8711 7.1616 7.1616 7.2329 7.2329 14.2734 14.2734 14.2752 14.2752 17.6579 17.6579 17.6668 17.6668 k =-0.5000 0.4675 0.3861 ( 2332 PWs) bands (ev): -0.6051 -0.6051 -0.6051 -0.6051 1.7528 1.7528 1.7528 1.7528 2.1990 2.1990 2.1990 2.1990 2.4584 2.4584 2.4584 2.4584 2.7078 2.7078 2.7078 2.7078 3.5948 3.5948 3.5948 3.5948 5.9261 5.9261 5.9261 5.9261 6.8464 6.8464 6.8464 6.8464 7.1699 7.1699 7.1699 7.1699 14.2739 14.2739 14.2739 14.2739 17.6726 17.6726 17.6726 17.6726 k =-0.5000 0.4675 0.3861 ( 2332 PWs) bands (ev): -0.6051 -0.6051 -0.6051 -0.6051 1.7528 1.7528 1.7528 1.7528 2.1990 2.1990 2.1990 2.1990 2.4584 2.4584 2.4584 2.4584 2.7078 2.7078 2.7078 2.7078 3.5948 3.5948 3.5948 3.5948 5.9261 5.9261 5.9261 5.9261 6.8464 6.8464 6.8464 6.8464 7.1699 7.1699 7.1699 7.1699 14.2739 14.2739 14.2739 14.2739 17.6726 17.6726 17.6726 17.6726 k =-0.5000 0.4675 0.3732 ( 2332 PWs) bands (ev): -0.6139 -0.6139 -0.5973 -0.5973 1.7503 1.7503 1.7558 1.7558 2.1936 2.1936 2.2048 2.2048 2.4578 2.4578 2.4588 2.4588 2.7000 2.7000 2.7156 2.7156 3.5805 3.5805 3.6087 3.6087 5.8839 5.8839 5.9691 5.9691 6.7730 6.7730 6.9195 6.9195 7.1345 7.1345 7.2148 7.2148 14.2534 14.2534 14.2644 14.2644 17.5794 17.5794 17.7722 17.7722 k =-0.5000 0.4675 0.3603 ( 2328 PWs) bands (ev): -0.6237 -0.6237 -0.5905 -0.5905 1.7485 1.7485 1.7594 1.7594 2.1884 2.1884 2.2108 2.2108 2.4571 2.4571 2.4591 2.4591 2.6925 2.6925 2.7234 2.7234 3.5661 3.5661 3.6220 3.6220 5.8425 5.8425 6.0129 6.0129 6.7001 6.7001 6.9893 6.9893 7.1117 7.1117 7.2679 7.2679 14.2042 14.2042 14.2253 14.2253 17.4856 17.4856 17.8833 17.8833 k =-0.5000 0.4675 0.3474 ( 2328 PWs) bands (ev): -0.6344 -0.6344 -0.5848 -0.5848 1.7474 1.7474 1.7634 1.7634 2.1835 2.1835 2.2171 2.2171 2.4564 2.4564 2.4593 2.4593 2.6853 2.6853 2.7310 2.7310 3.5516 3.5516 3.6346 3.6346 5.8019 5.8019 6.0573 6.0573 6.6285 6.6285 7.0407 7.0407 7.1170 7.1170 7.3282 7.3282 14.1287 14.1287 14.1586 14.1586 17.3838 17.3838 18.0086 18.0086 k =-0.5000 0.4675 0.3346 ( 2324 PWs) bands (ev): -0.6459 -0.6459 -0.5801 -0.5801 1.7471 1.7471 1.7677 1.7677 2.1788 2.1788 2.2236 2.2236 2.4557 2.4557 2.4592 2.4592 2.6786 2.6786 2.7384 2.7384 3.5372 3.5372 3.6462 3.6462 5.7622 5.7622 6.1018 6.1018 6.5592 6.5592 7.0530 7.0530 7.1713 7.1713 7.3949 7.3949 14.0303 14.0303 14.0670 14.0670 17.2681 17.2681 18.1469 18.1469 k =-0.5000 0.4675 0.3217 ( 2318 PWs) bands (ev): -0.6583 -0.6583 -0.5764 -0.5764 1.7474 1.7474 1.7723 1.7723 2.1744 2.1744 2.2304 2.2304 2.4549 2.4549 2.4591 2.4591 2.6727 2.6727 2.7453 2.7453 3.5231 3.5231 3.6567 3.6567 5.7234 5.7234 6.1450 6.1450 6.4941 6.4941 7.0567 7.0567 7.2444 7.2444 7.4670 7.4670 13.9127 13.9127 13.9539 13.9539 17.1357 17.1357 18.0126 18.0126 k =-0.5000 0.4675 0.3088 ( 2314 PWs) bands (ev): -0.6713 -0.6713 -0.5737 -0.5737 1.7486 1.7486 1.7769 1.7769 2.1702 2.1702 2.2374 2.2374 2.4542 2.4542 2.4587 2.4587 2.6674 2.6674 2.7518 2.7518 3.5094 3.5094 3.6659 3.6659 5.6858 5.6858 6.1827 6.1827 6.4378 6.4378 7.0659 7.0659 7.3220 7.3220 7.5435 7.5435 13.7796 13.7796 13.8229 13.8229 16.9865 16.9865 17.8393 17.8393 k =-0.5000 0.4675 0.2960 ( 2314 PWs) bands (ev): -0.6850 -0.6850 -0.5719 -0.5719 1.7504 1.7504 1.7816 1.7816 2.1662 2.1662 2.2446 2.2446 2.4536 2.4536 2.4582 2.4582 2.6631 2.6631 2.7577 2.7577 3.4961 3.4961 3.6737 3.6737 5.6495 5.6495 6.2035 6.2035 6.4023 6.4023 7.0828 7.0828 7.4020 7.4020 7.6237 7.6237 13.6343 13.6343 13.6772 13.6772 16.8227 16.8227 17.6688 17.6688 k =-0.5000 0.4675 0.2831 ( 2308 PWs) bands (ev): -0.6991 -0.6991 -0.5710 -0.5710 1.7528 1.7528 1.7862 1.7862 2.1624 2.1624 2.2518 2.2518 2.4531 2.4531 2.4577 2.4577 2.6596 2.6596 2.7631 2.7631 3.4833 3.4833 3.6798 3.6798 5.6146 5.6146 6.1901 6.1901 6.4051 6.4051 7.1080 7.1080 7.4834 7.4834 7.7069 7.7069 13.4798 13.4798 13.5198 13.5198 16.6472 16.6472 17.5015 17.5015 k =-0.5000 0.4675 0.2702 ( 2312 PWs) bands (ev): -0.7137 -0.7137 -0.5710 -0.5710 1.7558 1.7558 1.7906 1.7906 2.1589 2.1589 2.2592 2.2592 2.4527 2.4527 2.4572 2.4572 2.6570 2.6570 2.7680 2.7680 3.4711 3.4711 3.6843 3.6843 5.5812 5.5812 6.1480 6.1480 6.4413 6.4413 7.1414 7.1414 7.5658 7.5658 7.7924 7.7924 13.3184 13.3184 13.3536 13.3536 16.4629 16.4629 17.3377 17.3377 k =-0.5000 0.4675 0.2574 ( 2320 PWs) bands (ev): -0.7285 -0.7285 -0.5716 -0.5716 1.7592 1.7592 1.7948 1.7948 2.1557 2.1557 2.2665 2.2665 2.4524 2.4524 2.4569 2.4569 2.6553 2.6553 2.7723 2.7723 3.4595 3.4595 3.6872 3.6872 5.5496 5.5496 6.0942 6.0942 6.4940 6.4940 7.1830 7.1830 7.6488 7.6488 7.8799 7.8799 13.1516 13.1516 13.1812 13.1812 16.2724 16.2724 17.1778 17.1778 k =-0.5000 0.4675 0.2445 ( 2316 PWs) bands (ev): -0.7435 -0.7435 -0.5730 -0.5730 1.7631 1.7631 1.7987 1.7987 2.1528 2.1528 2.2738 2.2738 2.4523 2.4523 2.4567 2.4567 2.6543 2.6543 2.7760 2.7760 3.4485 3.4485 3.6883 3.6883 5.5198 5.5198 6.0370 6.0370 6.5553 6.5553 7.2324 7.2324 7.7318 7.7318 7.9686 7.9686 12.9794 12.9794 13.0065 13.0065 16.0781 16.0781 17.0220 17.0220 k =-0.5000 0.4675 0.2316 ( 2310 PWs) bands (ev): -0.7586 -0.7586 -0.5749 -0.5749 1.7671 1.7671 1.8022 1.8022 2.1503 2.1503 2.2809 2.2809 2.4522 2.4522 2.4570 2.4570 2.6540 2.6540 2.7792 2.7792 3.4382 3.4382 3.6878 3.6878 5.4920 5.4920 5.9795 5.9795 6.6223 6.6223 7.2895 7.2895 7.8144 7.8144 8.0583 8.0583 12.8005 12.8005 12.8339 12.8339 15.8816 15.8816 16.8706 16.8706 k =-0.5000 0.4675 0.2188 ( 2314 PWs) bands (ev): -0.7736 -0.7736 -0.5774 -0.5774 1.7713 1.7713 1.8054 1.8054 2.1483 2.1483 2.2878 2.2878 2.4522 2.4522 2.4577 2.4577 2.6543 2.6543 2.7819 2.7819 3.4286 3.4286 3.6857 3.6857 5.4661 5.4661 5.9230 5.9230 6.6939 6.6939 7.3540 7.3540 7.8960 7.8960 8.1482 8.1482 12.6157 12.6157 12.6652 12.6652 15.6846 15.6846 16.7241 16.7241 k =-0.5000 0.4675 0.2059 ( 2314 PWs) bands (ev): -0.7884 -0.7884 -0.5802 -0.5802 1.7754 1.7754 1.8082 1.8082 2.1469 2.1469 2.2944 2.2944 2.4523 2.4523 2.4588 2.4588 2.6549 2.6549 2.7841 2.7841 3.4196 3.4196 3.6821 3.6821 5.4422 5.4422 5.8682 5.8682 6.7696 6.7696 7.4255 7.4255 7.9761 7.9761 8.2377 8.2377 12.4274 12.4274 12.5006 12.5006 15.4882 15.4882 16.5828 16.5828 k =-0.5000 0.4675 0.1930 ( 2316 PWs) bands (ev): -0.8029 -0.8029 -0.5834 -0.5834 1.7794 1.7794 1.8107 1.8107 2.1462 2.1462 2.3006 2.3006 2.4524 2.4524 2.4605 2.4605 2.6558 2.6558 2.7861 2.7861 3.4113 3.4113 3.6773 3.6773 5.4204 5.4204 5.8155 5.8155 6.8490 6.8490 7.5037 7.5037 8.0543 8.0543 8.3261 8.3261 12.2373 12.2373 12.3405 12.3405 15.2935 15.2935 16.4469 16.4469 k =-0.5000 0.4675 0.1802 ( 2320 PWs) bands (ev): -0.8171 -0.8171 -0.5868 -0.5868 1.7831 1.7831 1.8128 1.8128 2.1462 2.1462 2.3064 2.3064 2.4527 2.4527 2.4626 2.4626 2.6567 2.6567 2.7877 2.7877 3.4037 3.4037 3.6714 3.6714 5.4005 5.4005 5.7651 5.7651 6.9320 6.9320 7.5882 7.5882 8.1299 8.1299 8.4124 8.4124 12.0465 12.0465 12.1862 12.1862 15.1016 15.1016 16.3170 16.3170 k =-0.5000 0.4675 0.1673 ( 2320 PWs) bands (ev): -0.8307 -0.8307 -0.5905 -0.5905 1.7864 1.7864 1.8146 1.8146 2.1469 2.1469 2.3118 2.3118 2.4532 2.4532 2.4651 2.4651 2.6575 2.6575 2.7892 2.7892 3.3967 3.3967 3.6646 3.6646 5.3825 5.3825 5.7173 5.7173 7.0184 7.0184 7.6786 7.6786 8.2024 8.2024 8.4955 8.4955 11.8556 11.8556 12.0388 12.0388 14.9134 14.9134 16.1934 16.1934 k =-0.5000 0.4675 0.1544 ( 2326 PWs) bands (ev): -0.8438 -0.8438 -0.5942 -0.5942 1.7892 1.7892 1.8162 1.8162 2.1485 2.1485 2.3167 2.3167 2.4538 2.4538 2.4678 2.4678 2.6581 2.6581 2.7906 2.7906 3.3903 3.3903 3.6572 3.6572 5.3663 5.3663 5.6723 5.6723 7.1079 7.1079 7.7743 7.7743 8.2715 8.2715 8.5743 8.5743 11.6655 11.6655 11.8999 11.8999 14.7298 14.7298 16.0765 16.0765 k =-0.5000 0.4675 0.1416 ( 2316 PWs) bands (ev): -0.8561 -0.8561 -0.5979 -0.5979 1.7914 1.7914 1.8176 1.8176 2.1509 2.1509 2.3210 2.3210 2.4547 2.4547 2.4706 2.4706 2.6583 2.6583 2.7920 2.7920 3.3845 3.3845 3.6493 3.6493 5.3520 5.3520 5.6302 5.6302 7.2003 7.2003 7.8744 7.8744 8.3368 8.3368 8.6473 8.6473 11.4765 11.4765 11.7709 11.7709 14.5519 14.5519 15.9668 15.9668 k =-0.5000 0.4675 0.1287 ( 2320 PWs) bands (ev): -0.8677 -0.8677 -0.6015 -0.6015 1.7930 1.7930 1.8188 1.8188 2.1539 2.1539 2.3250 2.3250 2.4558 2.4558 2.4735 2.4735 2.6580 2.6580 2.7935 2.7935 3.3794 3.3794 3.6413 3.6413 5.3393 5.3393 5.5912 5.5912 7.2952 7.2952 7.9781 7.9781 8.3980 8.3980 8.7131 8.7131 11.2892 11.2892 11.6536 11.6536 14.3805 14.3805 15.8646 15.8646 k =-0.5000 0.4675 0.1158 ( 2320 PWs) bands (ev): -0.8784 -0.8784 -0.6050 -0.6050 1.7941 1.7941 1.8200 1.8200 2.1575 2.1575 2.3284 2.3284 2.4571 2.4571 2.4762 2.4762 2.6573 2.6573 2.7950 2.7950 3.3747 3.3747 3.6332 3.6332 5.3281 5.3281 5.5554 5.5554 7.3924 7.3924 8.0833 8.0833 8.4555 8.4555 8.7706 8.7706 11.1041 11.1041 11.5495 11.5495 14.2171 14.2171 15.7704 15.7704 k =-0.5000 0.4675 0.1029 ( 2320 PWs) bands (ev): -0.8882 -0.8882 -0.6083 -0.6083 1.7946 1.7946 1.8210 1.8210 2.1615 2.1615 2.3315 2.3315 2.4586 2.4586 2.4787 2.4787 2.6561 2.6561 2.7966 2.7966 3.3707 3.3707 3.6254 3.6254 5.3185 5.3185 5.5230 5.5230 7.4912 7.4912 8.1870 8.1870 8.5107 8.5107 8.8188 8.8188 10.9218 10.9218 11.4598 11.4598 14.0628 14.0628 15.6846 15.6846 k =-0.5000 0.4675 0.0901 ( 2320 PWs) bands (ev): -0.8969 -0.8969 -0.6114 -0.6114 1.7948 1.7948 1.8220 1.8220 2.1658 2.1658 2.3341 2.3341 2.4603 2.4603 2.4808 2.4808 2.6545 2.6545 2.7983 2.7983 3.3672 3.3672 3.6181 3.6181 5.3103 5.3103 5.4940 5.4940 7.5913 7.5913 8.2825 8.2825 8.5677 8.5677 8.8574 8.8574 10.7429 10.7429 11.3855 11.3855 13.9192 13.9192 15.6077 15.6077 k =-0.5000 0.4675 0.0772 ( 2320 PWs) bands (ev): -0.9047 -0.9047 -0.6142 -0.6142 1.7946 1.7946 1.8229 1.8229 2.1700 2.1700 2.3364 2.3364 2.4622 2.4622 2.4824 2.4824 2.6526 2.6526 2.8000 2.8000 3.3642 3.3642 3.6113 3.6113 5.3033 5.3033 5.4686 5.4686 7.6918 7.6918 8.3591 8.3591 8.6346 8.6346 8.8870 8.8870 10.5681 10.5681 11.3268 11.3268 13.7881 13.7881 15.5401 15.5401 k =-0.5000 0.4675 0.0643 ( 2320 PWs) bands (ev): -0.9113 -0.9113 -0.6166 -0.6166 1.7942 1.7942 1.8236 1.8236 2.1741 2.1741 2.3383 2.3383 2.4643 2.4643 2.4835 2.4835 2.6507 2.6507 2.8015 2.8015 3.3617 3.3617 3.6053 3.6053 5.2976 5.2976 5.4470 5.4470 7.7919 7.7919 8.4056 8.4056 8.7185 8.7185 8.9098 8.9098 10.3987 10.3987 11.2830 11.2830 13.6714 13.6714 15.4821 15.4821 k =-0.5000 0.4675 0.0515 ( 2318 PWs) bands (ev): -0.9168 -0.9168 -0.6186 -0.6186 1.7938 1.7938 1.8243 1.8243 2.1777 2.1777 2.3399 2.3399 2.4665 2.4665 2.4841 2.4841 2.6488 2.6488 2.8030 2.8030 3.3596 3.3596 3.6002 3.6002 5.2931 5.2931 5.4290 5.4290 7.8905 7.8905 8.4202 8.4202 8.8145 8.8145 8.9310 8.9310 10.2366 10.2366 11.2525 11.2525 13.5714 13.5714 15.4342 15.4342 k =-0.5000 0.4675 0.0386 ( 2322 PWs) bands (ev): -0.9211 -0.9211 -0.6202 -0.6202 1.7934 1.7934 1.8247 1.8247 2.1808 2.1808 2.3411 2.3411 2.4687 2.4687 2.4841 2.4841 2.6471 2.6471 2.8042 2.8042 3.3581 3.3581 3.5962 3.5962 5.2897 5.2897 5.4150 5.4150 7.9861 7.9861 8.4080 8.4080 8.8919 8.8919 8.9739 8.9739 10.0854 10.0854 11.2329 11.2329 13.4903 13.4903 15.3965 15.3965 k =-0.5000 0.4675 0.0257 ( 2326 PWs) bands (ev): -0.9242 -0.9242 -0.6214 -0.6214 1.7930 1.7930 1.8251 1.8251 2.1831 2.1831 2.3419 2.3419 2.4706 2.4706 2.4838 2.4838 2.6457 2.6457 2.8051 2.8051 3.3570 3.3570 3.5932 3.5932 5.2873 5.2873 5.4049 5.4049 8.0765 8.0765 8.3748 8.3748 8.9180 8.9180 9.0607 9.0607 9.9521 9.9521 11.2216 11.2216 13.4304 13.4304 15.3695 15.3695 k =-0.5000 0.4675 0.0129 ( 2326 PWs) bands (ev): -0.9260 -0.9260 -0.6221 -0.6221 1.7927 1.7927 1.8253 1.8253 2.1845 2.1845 2.3425 2.3425 2.4720 2.4720 2.4833 2.4833 2.6449 2.6449 2.8057 2.8057 3.3563 3.3563 3.5914 3.5914 5.2859 5.2859 5.3988 5.3988 8.1573 8.1573 8.3276 8.3276 8.9260 8.9260 9.1409 9.1409 9.8522 9.8522 11.2160 11.2160 13.3935 13.3935 15.3532 15.3532 k =-0.5000 0.4675 0.0000 ( 2322 PWs) bands (ev): -0.9266 -0.9266 -0.6223 -0.6223 1.7927 1.7927 1.8254 1.8254 2.1850 2.1850 2.3426 2.3426 2.4726 2.4726 2.4831 2.4831 2.6446 2.6446 2.8059 2.8059 3.3561 3.3561 3.5908 3.5908 5.2854 5.2854 5.3968 5.3968 8.2037 8.2037 8.2922 8.2922 8.9282 8.9282 9.1743 9.1743 9.8129 9.8129 11.2144 11.2144 13.3811 13.3811 15.3477 15.3477 k = 0.0000 0.0000 0.3861 ( 2368 PWs) bands (ev): -1.2902 -1.2902 -1.2902 -1.2902 1.8293 1.8293 1.8293 1.8293 1.8634 1.8634 1.8634 1.8634 2.4241 2.4241 2.4241 2.4241 2.6006 2.6006 2.6006 2.6006 2.7161 2.7161 2.7161 2.7161 7.8462 7.8462 7.8462 7.8462 8.9038 8.9038 8.9038 8.9038 9.4206 9.4206 9.4206 9.4206 13.5630 13.5630 13.5630 13.5630 15.5323 15.5323 15.5323 15.5323 k =-0.0094 0.0088 0.3861 ( 2376 PWs) bands (ev): -1.2893 -1.2893 -1.2893 -1.2893 1.8291 1.8291 1.8291 1.8291 1.8635 1.8635 1.8635 1.8635 2.4238 2.4238 2.4238 2.4238 2.6007 2.6007 2.6007 2.6007 2.7162 2.7162 2.7162 2.7162 7.8357 7.8357 7.8357 7.8357 8.9037 8.9037 8.9037 8.9037 9.4305 9.4305 9.4305 9.4305 13.5652 13.5652 13.5652 13.5652 15.5365 15.5365 15.5365 15.5365 k =-0.0189 0.0176 0.3861 ( 2372 PWs) bands (ev): -1.2865 -1.2865 -1.2865 -1.2865 1.8285 1.8285 1.8285 1.8285 1.8638 1.8638 1.8638 1.8638 2.4228 2.4228 2.4228 2.4228 2.6011 2.6011 2.6011 2.6011 2.7165 2.7165 2.7165 2.7165 7.8050 7.8050 7.8050 7.8050 8.9026 8.9026 8.9026 8.9026 9.4599 9.4599 9.4599 9.4599 13.5718 13.5718 13.5718 13.5718 15.5490 15.5490 15.5490 15.5490 k =-0.0283 0.0265 0.3861 ( 2368 PWs) bands (ev): -1.2818 -1.2818 -1.2818 -1.2818 1.8274 1.8274 1.8274 1.8274 1.8642 1.8642 1.8643 1.8643 2.4213 2.4213 2.4213 2.4213 2.6017 2.6017 2.6017 2.6017 2.7170 2.7170 2.7170 2.7170 7.7572 7.7572 7.7572 7.7572 8.8986 8.8986 8.8986 8.8986 9.5078 9.5078 9.5078 9.5078 13.5827 13.5827 13.5828 13.5828 15.5697 15.5697 15.5697 15.5697 k =-0.0377 0.0353 0.3861 ( 2368 PWs) bands (ev): -1.2753 -1.2753 -1.2753 -1.2753 1.8259 1.8259 1.8259 1.8259 1.8648 1.8648 1.8649 1.8649 2.4192 2.4192 2.4192 2.4192 2.6025 2.6025 2.6025 2.6025 2.7178 2.7178 2.7178 2.7178 7.6958 7.6958 7.6958 7.6958 8.8900 8.8900 8.8900 8.8900 9.5722 9.5722 9.5722 9.5722 13.5980 13.5980 13.5980 13.5980 15.5985 15.5985 15.5985 15.5985 k =-0.0472 0.0441 0.3861 ( 2356 PWs) bands (ev): -1.2671 -1.2671 -1.2670 -1.2670 1.8241 1.8241 1.8241 1.8241 1.8656 1.8656 1.8656 1.8656 2.4165 2.4165 2.4165 2.4165 2.6035 2.6035 2.6035 2.6035 2.7187 2.7187 2.7187 2.7187 7.6245 7.6245 7.6245 7.6245 8.8759 8.8759 8.8759 8.8759 9.6503 9.6503 9.6503 9.6503 13.6174 13.6174 13.6174 13.6174 15.6353 15.6353 15.6353 15.6353 k =-0.0566 0.0529 0.3861 ( 2348 PWs) bands (ev): -1.2570 -1.2570 -1.2570 -1.2570 1.8220 1.8220 1.8220 1.8220 1.8665 1.8665 1.8665 1.8665 2.4134 2.4134 2.4134 2.4134 2.6047 2.6047 2.6047 2.6047 2.7200 2.7200 2.7200 2.7200 7.5462 7.5462 7.5462 7.5462 8.8560 8.8560 8.8560 8.8560 9.7392 9.7392 9.7392 9.7392 13.6408 13.6408 13.6408 13.6408 15.6798 15.6798 15.6798 15.6798 k =-0.0660 0.0617 0.3861 ( 2348 PWs) bands (ev): -1.2452 -1.2452 -1.2452 -1.2452 1.8196 1.8196 1.8196 1.8196 1.8675 1.8675 1.8675 1.8675 2.4097 2.4097 2.4098 2.4098 2.6060 2.6060 2.6060 2.6060 2.7215 2.7215 2.7215 2.7215 7.4634 7.4634 7.4634 7.4634 8.8306 8.8306 8.8306 8.8306 9.8360 9.8360 9.8361 9.8361 13.6679 13.6679 13.6679 13.6679 15.7318 15.7318 15.7318 15.7318 k =-0.0755 0.0706 0.3861 ( 2352 PWs) bands (ev): -1.2318 -1.2318 -1.2318 -1.2318 1.8169 1.8169 1.8169 1.8169 1.8687 1.8687 1.8687 1.8687 2.4057 2.4057 2.4057 2.4057 2.6074 2.6074 2.6074 2.6074 2.7234 2.7234 2.7234 2.7234 7.3780 7.3780 7.3780 7.3780 8.8002 8.8002 8.8002 8.8002 9.9382 9.9382 9.9382 9.9382 13.6983 13.6983 13.6983 13.6983 15.7908 15.7908 15.7908 15.7908 k =-0.0849 0.0794 0.3861 ( 2348 PWs) bands (ev): -1.2168 -1.2168 -1.2168 -1.2168 1.8139 1.8139 1.8139 1.8139 1.8700 1.8700 1.8700 1.8700 2.4014 2.4014 2.4014 2.4014 2.6088 2.6088 2.6088 2.6088 2.7256 2.7256 2.7256 2.7256 7.2914 7.2914 7.2914 7.2914 8.7652 8.7652 8.7652 8.7652 10.0436 10.0436 10.0436 10.0436 13.7313 13.7313 13.7313 13.7313 15.8565 15.8565 15.8565 15.8565 k =-0.0943 0.0882 0.3861 ( 2350 PWs) bands (ev): -1.2002 -1.2002 -1.2002 -1.2002 1.8108 1.8108 1.8108 1.8108 1.8715 1.8715 1.8715 1.8715 2.3967 2.3967 2.3967 2.3967 2.6103 2.6103 2.6103 2.6103 2.7283 2.7283 2.7283 2.7283 7.2047 7.2047 7.2047 7.2047 8.7261 8.7261 8.7262 8.7262 10.1502 10.1502 10.1502 10.1502 13.7660 13.7660 13.7660 13.7660 15.9278 15.9278 15.9278 15.9278 k =-0.1038 0.0970 0.3861 ( 2346 PWs) bands (ev): -1.1822 -1.1822 -1.1822 -1.1822 1.8075 1.8075 1.8075 1.8075 1.8731 1.8731 1.8731 1.8731 2.3919 2.3919 2.3919 2.3919 2.6117 2.6117 2.6118 2.6118 2.7313 2.7313 2.7313 2.7313 7.1186 7.1186 7.1186 7.1186 8.6834 8.6834 8.6834 8.6834 10.2563 10.2563 10.2563 10.2563 13.8011 13.8011 13.8011 13.8011 15.9998 15.9998 15.9998 15.9998 k =-0.1132 0.1059 0.3861 ( 2350 PWs) bands (ev): -1.1629 -1.1629 -1.1629 -1.1629 1.8040 1.8040 1.8040 1.8040 1.8750 1.8750 1.8750 1.8750 2.3869 2.3869 2.3869 2.3869 2.6132 2.6132 2.6132 2.6132 2.7347 2.7347 2.7347 2.7347 7.0338 7.0338 7.0339 7.0339 8.6373 8.6373 8.6374 8.6374 10.3604 10.3604 10.3604 10.3604 13.8347 13.8347 13.8347 13.8347 15.9792 15.9792 15.9793 15.9793 k =-0.1226 0.1147 0.3861 ( 2354 PWs) bands (ev): -1.1423 -1.1423 -1.1423 -1.1423 1.8004 1.8004 1.8004 1.8004 1.8771 1.8771 1.8772 1.8772 2.3819 2.3819 2.3819 2.3819 2.6146 2.6146 2.6146 2.6146 2.7386 2.7386 2.7386 2.7386 6.9508 6.9508 6.9508 6.9508 8.5884 8.5884 8.5884 8.5884 10.4608 10.4608 10.4608 10.4608 13.8642 13.8642 13.8642 13.8642 15.8541 15.8541 15.8541 15.8541 k =-0.1321 0.1235 0.3861 ( 2342 PWs) bands (ev): -1.1207 -1.1207 -1.1207 -1.1207 1.7968 1.7968 1.7968 1.7968 1.8796 1.8796 1.8796 1.8796 2.3769 2.3769 2.3769 2.3769 2.6160 2.6160 2.6160 2.6160 2.7429 2.7429 2.7429 2.7429 6.8699 6.8699 6.8699 6.8699 8.5370 8.5370 8.5370 8.5370 10.5561 10.5561 10.5561 10.5561 13.8863 13.8863 13.8863 13.8863 15.7377 15.7377 15.7377 15.7377 k =-0.1415 0.1323 0.3861 ( 2336 PWs) bands (ev): -1.0980 -1.0980 -1.0980 -1.0980 1.7931 1.7931 1.7931 1.7931 1.8823 1.8823 1.8823 1.8823 2.3720 2.3720 2.3720 2.3720 2.6173 2.6173 2.6173 2.6173 2.7478 2.7478 2.7478 2.7478 6.7914 6.7914 6.7914 6.7914 8.4833 8.4833 8.4834 8.4834 10.6446 10.6446 10.6446 10.6446 13.8971 13.8971 13.8971 13.8971 15.6421 15.6421 15.6421 15.6421 k =-0.1509 0.1411 0.3861 ( 2336 PWs) bands (ev): -1.0744 -1.0744 -1.0744 -1.0744 1.7893 1.7893 1.7893 1.7893 1.8855 1.8855 1.8855 1.8855 2.3673 2.3673 2.3673 2.3673 2.6186 2.6186 2.6186 2.6186 2.7531 2.7531 2.7531 2.7531 6.7154 6.7154 6.7154 6.7154 8.4278 8.4278 8.4278 8.4278 10.7246 10.7246 10.7247 10.7247 13.8928 13.8928 13.8928 13.8928 15.5738 15.5738 15.5739 15.5739 k =-0.1604 0.1500 0.3861 ( 2338 PWs) bands (ev): -1.0502 -1.0502 -1.0502 -1.0502 1.7856 1.7856 1.7856 1.7856 1.8891 1.8891 1.8891 1.8891 2.3629 2.3629 2.3629 2.3629 2.6199 2.6199 2.6199 2.6199 2.7589 2.7589 2.7589 2.7589 6.6422 6.6422 6.6422 6.6422 8.3707 8.3707 8.3708 8.3708 10.7944 10.7944 10.7944 10.7944 13.8711 13.8711 13.8711 13.8711 15.5377 15.5377 15.5378 15.5378 k =-0.1698 0.1588 0.3861 ( 2342 PWs) bands (ev): -1.0253 -1.0253 -1.0253 -1.0253 1.7820 1.7820 1.7820 1.7820 1.8932 1.8932 1.8932 1.8932 2.3589 2.3589 2.3589 2.3589 2.6211 2.6211 2.6211 2.6211 2.7652 2.7652 2.7652 2.7652 6.5718 6.5718 6.5718 6.5718 8.3124 8.3124 8.3124 8.3124 10.8519 10.8519 10.8520 10.8520 13.8321 13.8321 13.8321 13.8321 15.5359 15.5359 15.5359 15.5359 k =-0.1792 0.1676 0.3861 ( 2346 PWs) bands (ev): -1.0001 -1.0001 -1.0001 -1.0001 1.7784 1.7784 1.7784 1.7784 1.8979 1.8979 1.8979 1.8979 2.3554 2.3554 2.3554 2.3554 2.6224 2.6224 2.6224 2.6224 2.7721 2.7721 2.7721 2.7721 6.5044 6.5044 6.5044 6.5044 8.2530 8.2530 8.2530 8.2530 10.8952 10.8952 10.8952 10.8952 13.7792 13.7792 13.7792 13.7792 15.5674 15.5674 15.5674 15.5674 k =-0.1887 0.1764 0.3861 ( 2354 PWs) bands (ev): -0.9746 -0.9746 -0.9746 -0.9746 1.7750 1.7750 1.7750 1.7750 1.9032 1.9032 1.9032 1.9032 2.3523 2.3523 2.3523 2.3523 2.6237 2.6237 2.6237 2.6237 2.7795 2.7795 2.7795 2.7795 6.4399 6.4399 6.4399 6.4399 8.1928 8.1928 8.1928 8.1928 10.9221 10.9221 10.9221 10.9221 13.7177 13.7177 13.7177 13.7177 15.6290 15.6290 15.6290 15.6290 k =-0.1981 0.1852 0.3861 ( 2350 PWs) bands (ev): -0.9491 -0.9491 -0.9490 -0.9490 1.7717 1.7717 1.7717 1.7717 1.9092 1.9092 1.9092 1.9092 2.3499 2.3499 2.3499 2.3499 2.6250 2.6250 2.6250 2.6250 2.7875 2.7875 2.7875 2.7875 6.3784 6.3784 6.3784 6.3784 8.1321 8.1321 8.1322 8.1322 10.9306 10.9306 10.9307 10.9307 13.6539 13.6539 13.6539 13.6539 15.7166 15.7166 15.7166 15.7166 k =-0.2075 0.1941 0.3861 ( 2342 PWs) bands (ev): -0.9236 -0.9236 -0.9236 -0.9236 1.7686 1.7686 1.7686 1.7686 1.9160 1.9160 1.9160 1.9160 2.3481 2.3481 2.3481 2.3481 2.6264 2.6264 2.6264 2.6264 2.7962 2.7962 2.7962 2.7962 6.3200 6.3200 6.3200 6.3200 8.0712 8.0712 8.0712 8.0712 10.9192 10.9192 10.9192 10.9192 13.5936 13.5936 13.5936 13.5936 15.8260 15.8260 15.8260 15.8260 k =-0.2170 0.2029 0.3861 ( 2342 PWs) bands (ev): -0.8984 -0.8984 -0.8984 -0.8984 1.7658 1.7658 1.7658 1.7658 1.9236 1.9236 1.9236 1.9236 2.3470 2.3470 2.3470 2.3470 2.6279 2.6279 2.6279 2.6279 2.8055 2.8055 2.8056 2.8056 6.2646 6.2646 6.2646 6.2646 8.0101 8.0101 8.0101 8.0101 10.8866 10.8866 10.8866 10.8866 13.5416 13.5416 13.5416 13.5416 15.9536 15.9536 15.9536 15.9536 k =-0.2264 0.2117 0.3861 ( 2350 PWs) bands (ev): -0.8736 -0.8736 -0.8736 -0.8736 1.7631 1.7631 1.7631 1.7631 1.9320 1.9320 1.9320 1.9320 2.3467 2.3467 2.3467 2.3467 2.6295 2.6295 2.6295 2.6295 2.8157 2.8157 2.8157 2.8157 6.2122 6.2122 6.2122 6.2122 7.9492 7.9492 7.9492 7.9492 10.8327 10.8327 10.8327 10.8327 13.5009 13.5009 13.5009 13.5009 16.0965 16.0965 16.0965 16.0965 k =-0.2358 0.2205 0.3861 ( 2346 PWs) bands (ev): -0.8495 -0.8495 -0.8495 -0.8495 1.7607 1.7607 1.7607 1.7607 1.9413 1.9413 1.9413 1.9413 2.3471 2.3471 2.3471 2.3471 2.6312 2.6312 2.6312 2.6312 2.8267 2.8267 2.8267 2.8267 6.1628 6.1628 6.1628 6.1628 7.8885 7.8885 7.8886 7.8886 10.7580 10.7580 10.7580 10.7580 13.4731 13.4731 13.4731 13.4731 16.2522 16.2522 16.2523 16.2523 k =-0.2453 0.2294 0.3861 ( 2346 PWs) bands (ev): -0.8261 -0.8261 -0.8261 -0.8261 1.7585 1.7585 1.7585 1.7585 1.9516 1.9516 1.9516 1.9516 2.3484 2.3484 2.3484 2.3484 2.6331 2.6331 2.6331 2.6331 2.8387 2.8387 2.8387 2.8387 6.1163 6.1163 6.1163 6.1163 7.8284 7.8284 7.8284 7.8284 10.6640 10.6640 10.6640 10.6640 13.4586 13.4586 13.4587 13.4587 16.4187 16.4187 16.4187 16.4187 k =-0.2547 0.2382 0.3861 ( 2344 PWs) bands (ev): -0.8036 -0.8036 -0.8036 -0.8036 1.7566 1.7566 1.7566 1.7566 1.9626 1.9626 1.9626 1.9626 2.3505 2.3505 2.3505 2.3505 2.6351 2.6351 2.6351 2.6351 2.8518 2.8518 2.8518 2.8518 6.0728 6.0728 6.0728 6.0728 7.7690 7.7690 7.7690 7.7690 10.5528 10.5528 10.5528 10.5528 13.4567 13.4567 13.4567 13.4567 16.5941 16.5941 16.5941 16.5941 k =-0.2642 0.2470 0.3861 ( 2340 PWs) bands (ev): -0.7821 -0.7821 -0.7821 -0.7821 1.7550 1.7550 1.7550 1.7550 1.9745 1.9745 1.9746 1.9746 2.3535 2.3535 2.3535 2.3535 2.6373 2.6373 2.6373 2.6373 2.8661 2.8661 2.8662 2.8662 6.0323 6.0323 6.0323 6.0323 7.7104 7.7104 7.7104 7.7104 10.4269 10.4269 10.4269 10.4269 13.4660 13.4660 13.4661 13.4661 16.7764 16.7764 16.7764 16.7764 k =-0.2736 0.2558 0.3861 ( 2340 PWs) bands (ev): -0.7619 -0.7619 -0.7619 -0.7619 1.7536 1.7536 1.7536 1.7536 1.9872 1.9872 1.9872 1.9872 2.3572 2.3572 2.3572 2.3572 2.6397 2.6397 2.6397 2.6397 2.8819 2.8819 2.8819 2.8819 5.9946 5.9946 5.9946 5.9946 7.6528 7.6528 7.6528 7.6528 10.2887 10.2887 10.2887 10.2887 13.4849 13.4849 13.4850 13.4850 16.9633 16.9633 16.9633 16.9633 k =-0.2830 0.2646 0.3861 ( 2348 PWs) bands (ev): -0.7428 -0.7428 -0.7428 -0.7428 1.7524 1.7524 1.7524 1.7524 2.0005 2.0005 2.0005 2.0005 2.3617 2.3617 2.3617 2.3617 2.6423 2.6423 2.6423 2.6423 2.8993 2.8993 2.8993 2.8993 5.9599 5.9599 5.9599 5.9599 7.5963 7.5963 7.5963 7.5963 10.1407 10.1407 10.1407 10.1407 13.5118 13.5118 13.5118 13.5118 17.1509 17.1509 17.1510 17.1510 k =-0.2925 0.2735 0.3861 ( 2352 PWs) bands (ev): -0.7251 -0.7251 -0.7251 -0.7251 1.7514 1.7514 1.7515 1.7515 2.0142 2.0142 2.0142 2.0142 2.3670 2.3670 2.3670 2.3670 2.6452 2.6452 2.6452 2.6452 2.9185 2.9185 2.9185 2.9185 5.9280 5.9280 5.9280 5.9280 7.5411 7.5411 7.5411 7.5411 9.9851 9.9851 9.9851 9.9851 13.5450 13.5450 13.5451 13.5451 17.3320 17.3320 17.3320 17.3320 k =-0.3019 0.2823 0.3861 ( 2352 PWs) bands (ev): -0.7088 -0.7088 -0.7088 -0.7088 1.7507 1.7507 1.7507 1.7507 2.0283 2.0283 2.0283 2.0283 2.3728 2.3728 2.3728 2.3728 2.6482 2.6482 2.6482 2.6482 2.9397 2.9397 2.9397 2.9397 5.8990 5.8990 5.8990 5.8990 7.4873 7.4873 7.4873 7.4873 9.8238 9.8238 9.8238 9.8238 13.5832 13.5832 13.5832 13.5832 17.4885 17.4885 17.4885 17.4885 k =-0.3113 0.2911 0.3861 ( 2352 PWs) bands (ev): -0.6939 -0.6939 -0.6939 -0.6939 1.7501 1.7501 1.7501 1.7501 2.0424 2.0424 2.0424 2.0424 2.3792 2.3792 2.3792 2.3792 2.6515 2.6515 2.6515 2.6515 2.9631 2.9631 2.9632 2.9632 5.8730 5.8730 5.8730 5.8730 7.4351 7.4351 7.4351 7.4351 9.6584 9.6584 9.6584 9.6584 13.6252 13.6252 13.6252 13.6252 17.5889 17.5889 17.5890 17.5890 k =-0.3208 0.2999 0.3861 ( 2348 PWs) bands (ev): -0.6805 -0.6805 -0.6805 -0.6805 1.7497 1.7497 1.7497 1.7497 2.0566 2.0566 2.0566 2.0566 2.3859 2.3859 2.3859 2.3859 2.6550 2.6550 2.6550 2.6550 2.9890 2.9890 2.9890 2.9890 5.8498 5.8498 5.8498 5.8498 7.3846 7.3846 7.3846 7.3846 9.4904 9.4904 9.4904 9.4904 13.6698 13.6698 13.6698 13.6698 17.6259 17.6259 17.6259 17.6259 k =-0.3302 0.3087 0.3861 ( 2352 PWs) bands (ev): -0.6684 -0.6684 -0.6684 -0.6684 1.7495 1.7495 1.7495 1.7495 2.0705 2.0705 2.0705 2.0705 2.3929 2.3929 2.3929 2.3929 2.6587 2.6587 2.6587 2.6587 3.0173 3.0173 3.0174 3.0174 5.8296 5.8296 5.8296 5.8296 7.3358 7.3358 7.3358 7.3358 9.3210 9.3210 9.3210 9.3210 13.7161 13.7161 13.7162 13.7162 17.6295 17.6295 17.6295 17.6295 k =-0.3396 0.3176 0.3861 ( 2352 PWs) bands (ev): -0.6577 -0.6577 -0.6577 -0.6577 1.7494 1.7494 1.7494 1.7494 2.0840 2.0840 2.0840 2.0840 2.3999 2.3999 2.3999 2.3999 2.6625 2.6625 2.6625 2.6625 3.0483 3.0483 3.0483 3.0483 5.8125 5.8125 5.8125 5.8125 7.2889 7.2889 7.2889 7.2889 9.1514 9.1514 9.1514 9.1514 13.7635 13.7635 13.7635 13.7635 17.6214 17.6214 17.6214 17.6214 k =-0.3491 0.3264 0.3861 ( 2354 PWs) bands (ev): -0.6483 -0.6483 -0.6483 -0.6483 1.7493 1.7493 1.7493 1.7493 2.0969 2.0969 2.0969 2.0969 2.4069 2.4069 2.4069 2.4069 2.6664 2.6664 2.6664 2.6664 3.0819 3.0819 3.0819 3.0819 5.7984 5.7984 5.7984 5.7984 7.2440 7.2440 7.2441 7.2441 8.9824 8.9824 8.9825 8.9825 13.8112 13.8112 13.8112 13.8112 17.6104 17.6104 17.6105 17.6105 k =-0.3585 0.3352 0.3861 ( 2348 PWs) bands (ev): -0.6402 -0.6402 -0.6402 -0.6402 1.7494 1.7494 1.7494 1.7494 2.1092 2.1092 2.1093 2.1093 2.4137 2.4137 2.4137 2.4137 2.6704 2.6704 2.6704 2.6704 3.1180 3.1180 3.1180 3.1180 5.7874 5.7874 5.7874 5.7874 7.2013 7.2013 7.2013 7.2013 8.8151 8.8151 8.8151 8.8151 13.8586 13.8586 13.8586 13.8586 17.6000 17.6000 17.6000 17.6000 k =-0.3679 0.3440 0.3861 ( 2344 PWs) bands (ev): -0.6332 -0.6332 -0.6332 -0.6332 1.7496 1.7496 1.7496 1.7496 2.1208 2.1208 2.1209 2.1209 2.4201 2.4201 2.4201 2.4201 2.6744 2.6744 2.6744 2.6744 3.1564 3.1564 3.1564 3.1564 5.7797 5.7797 5.7797 5.7797 7.1606 7.1606 7.1606 7.1606 8.6501 8.6501 8.6501 8.6501 13.9052 13.9052 13.9052 13.9052 17.5916 17.5916 17.5917 17.5917 k =-0.3774 0.3529 0.3861 ( 2344 PWs) bands (ev): -0.6273 -0.6273 -0.6273 -0.6273 1.7498 1.7498 1.7498 1.7498 2.1317 2.1317 2.1317 2.1317 2.4260 2.4260 2.4260 2.4260 2.6784 2.6784 2.6784 2.6784 3.1967 3.1967 3.1967 3.1967 5.7753 5.7753 5.7753 5.7753 7.1223 7.1223 7.1223 7.1223 8.4882 8.4882 8.4883 8.4883 13.9504 13.9504 13.9504 13.9504 17.5860 17.5860 17.5861 17.5861 k =-0.3868 0.3617 0.3861 ( 2348 PWs) bands (ev): -0.6224 -0.6224 -0.6224 -0.6224 1.7501 1.7501 1.7501 1.7501 2.1417 2.1417 2.1417 2.1417 2.4315 2.4315 2.4315 2.4315 2.6822 2.6822 2.6822 2.6822 3.2385 3.2385 3.2385 3.2385 5.7743 5.7743 5.7743 5.7743 7.0862 7.0862 7.0862 7.0862 8.3304 8.3304 8.3304 8.3304 13.9940 13.9940 13.9940 13.9940 17.5836 17.5836 17.5837 17.5837 k =-0.3962 0.3705 0.3861 ( 2344 PWs) bands (ev): -0.6183 -0.6183 -0.6183 -0.6183 1.7504 1.7504 1.7504 1.7504 2.1509 2.1509 2.1509 2.1509 2.4363 2.4363 2.4364 2.4364 2.6859 2.6859 2.6859 2.6859 3.2812 3.2812 3.2813 3.2813 5.7768 5.7768 5.7768 5.7768 7.0525 7.0525 7.0525 7.0525 8.1774 8.1774 8.1774 8.1774 14.0354 14.0354 14.0354 14.0354 17.5843 17.5843 17.5843 17.5843 k =-0.4057 0.3793 0.3861 ( 2344 PWs) bands (ev): -0.6150 -0.6150 -0.6150 -0.6150 1.7507 1.7507 1.7507 1.7507 2.1593 2.1593 2.1593 2.1593 2.4407 2.4407 2.4407 2.4407 2.6895 2.6895 2.6895 2.6895 3.3242 3.3242 3.3243 3.3243 5.7828 5.7828 5.7828 5.7828 7.0212 7.0212 7.0212 7.0212 8.0300 8.0300 8.0300 8.0300 14.0743 14.0743 14.0743 14.0743 17.5880 17.5880 17.5880 17.5880 k =-0.4151 0.3881 0.3861 ( 2340 PWs) bands (ev): -0.6124 -0.6124 -0.6124 -0.6124 1.7510 1.7510 1.7510 1.7510 2.1669 2.1669 2.1669 2.1669 2.4444 2.4444 2.4444 2.4444 2.6927 2.6927 2.6928 2.6928 3.3667 3.3667 3.3668 3.3668 5.7922 5.7922 5.7922 5.7922 6.9923 6.9923 6.9923 6.9923 7.8894 7.8894 7.8894 7.8894 14.1104 14.1104 14.1105 14.1105 17.5944 17.5944 17.5945 17.5945 k =-0.4245 0.3970 0.3861 ( 2332 PWs) bands (ev): -0.6103 -0.6103 -0.6103 -0.6103 1.7513 1.7513 1.7513 1.7513 2.1736 2.1736 2.1737 2.1737 2.4477 2.4477 2.4477 2.4477 2.6958 2.6958 2.6958 2.6958 3.4080 3.4080 3.4080 3.4080 5.8049 5.8049 5.8049 5.8049 6.9658 6.9658 6.9659 6.9659 7.7565 7.7565 7.7565 7.7565 14.1435 14.1435 14.1435 14.1435 17.6031 17.6031 17.6032 17.6032 k =-0.4340 0.4058 0.3861 ( 2334 PWs) bands (ev): -0.6087 -0.6087 -0.6087 -0.6087 1.7516 1.7516 1.7516 1.7516 2.1796 2.1796 2.1796 2.1796 2.4504 2.4504 2.4504 2.4504 2.6985 2.6985 2.6985 2.6985 3.4470 3.4470 3.4470 3.4470 5.8206 5.8206 5.8206 5.8206 6.9418 6.9418 6.9418 6.9418 7.6326 7.6326 7.6327 7.6327 14.1732 14.1732 14.1732 14.1732 17.6136 17.6136 17.6137 17.6137 k =-0.4434 0.4146 0.3861 ( 2334 PWs) bands (ev): -0.6075 -0.6075 -0.6075 -0.6075 1.7519 1.7519 1.7519 1.7519 2.1848 2.1848 2.1848 2.1848 2.4527 2.4527 2.4527 2.4527 2.7009 2.7009 2.7009 2.7009 3.4831 3.4831 3.4831 3.4831 5.8387 5.8387 5.8387 5.8387 6.9200 6.9200 6.9200 6.9200 7.5195 7.5195 7.5195 7.5195 14.1994 14.1994 14.1994 14.1994 17.6251 17.6251 17.6252 17.6252 k =-0.4528 0.4234 0.3861 ( 2336 PWs) bands (ev): -0.6066 -0.6066 -0.6066 -0.6066 1.7522 1.7522 1.7522 1.7522 2.1891 2.1891 2.1891 2.1891 2.4545 2.4545 2.4545 2.4545 2.7030 2.7030 2.7030 2.7030 3.5153 3.5153 3.5153 3.5153 5.8583 5.8583 5.8583 5.8583 6.9005 6.9005 6.9005 6.9005 7.4187 7.4187 7.4187 7.4187 14.2219 14.2219 14.2219 14.2219 17.6370 17.6370 17.6370 17.6370 k =-0.4623 0.4322 0.3861 ( 2330 PWs) bands (ev): -0.6060 -0.6060 -0.6060 -0.6060 1.7524 1.7524 1.7524 1.7524 2.1927 2.1927 2.1927 2.1927 2.4559 2.4559 2.4559 2.4559 2.7047 2.7047 2.7047 2.7047 3.5429 3.5429 3.5429 3.5429 5.8782 5.8782 5.8783 5.8783 6.8833 6.8833 6.8833 6.8833 7.3324 7.3324 7.3324 7.3324 14.2404 14.2404 14.2404 14.2404 17.6483 17.6483 17.6483 17.6483 k =-0.4717 0.4411 0.3861 ( 2342 PWs) bands (ev): -0.6056 -0.6056 -0.6056 -0.6056 1.7526 1.7526 1.7526 1.7526 2.1955 2.1955 2.1955 2.1955 2.4570 2.4570 2.4570 2.4570 2.7060 2.7060 2.7060 2.7060 3.5651 3.5651 3.5651 3.5651 5.8969 5.8969 5.8969 5.8969 6.8685 6.8685 6.8686 6.8686 7.2627 7.2627 7.2627 7.2627 14.2550 14.2550 14.2550 14.2550 17.6582 17.6582 17.6582 17.6582 k =-0.4811 0.4499 0.3861 ( 2338 PWs) bands (ev): -0.6053 -0.6053 -0.6053 -0.6053 1.7527 1.7527 1.7527 1.7527 2.1974 2.1974 2.1975 2.1975 2.4578 2.4578 2.4578 2.4578 2.7070 2.7070 2.7070 2.7070 3.5814 3.5814 3.5815 3.5815 5.9123 5.9123 5.9123 5.9123 6.8569 6.8569 6.8569 6.8569 7.2115 7.2115 7.2115 7.2115 14.2655 14.2655 14.2655 14.2655 17.6659 17.6659 17.6660 17.6660 k =-0.4906 0.4587 0.3861 ( 2332 PWs) bands (ev): -0.6051 -0.6051 -0.6051 -0.6051 1.7528 1.7528 1.7528 1.7528 2.1986 2.1986 2.1986 2.1986 2.4582 2.4582 2.4582 2.4582 2.7076 2.7076 2.7076 2.7076 3.5914 3.5914 3.5914 3.5914 5.9225 5.9225 5.9225 5.9225 6.8491 6.8491 6.8492 6.8492 7.1803 7.1803 7.1803 7.1803 14.2718 14.2718 14.2718 14.2718 17.6709 17.6709 17.6709 17.6709 k =-0.5000 0.4675 0.3861 ( 2332 PWs) bands (ev): -0.6051 -0.6051 -0.6051 -0.6051 1.7528 1.7528 1.7528 1.7528 2.1990 2.1990 2.1990 2.1990 2.4584 2.4584 2.4584 2.4584 2.7078 2.7078 2.7078 2.7078 3.5948 3.5948 3.5948 3.5948 5.9261 5.9261 5.9261 5.9261 6.8464 6.8464 6.8464 6.8464 7.1699 7.1699 7.1699 7.1699 14.2739 14.2739 14.2739 14.2739 17.6726 17.6726 17.6726 17.6726 Writing output data file CdTe.save init_run : 0.42s CPU 0.90s WALL ( 1 calls) electrons : 134.14s CPU 137.68s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.11s WALL ( 1 calls) potinit : 0.03s CPU 0.10s WALL ( 1 calls) Called by electrons: c_bands : 134.13s CPU 137.67s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.01s WALL ( 1 calls) newd : 0.12s CPU 0.20s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.06s CPU 0.05s WALL ( 426 calls) cegterg : 125.20s CPU 127.17s WALL ( 569 calls) Called by sum_band: Called by *egterg: h_psi : 58.25s CPU 59.62s WALL ( 9827 calls) s_psi : 4.92s CPU 4.97s WALL ( 9827 calls) g_psi : 0.16s CPU 0.15s WALL ( 8832 calls) cdiaghg : 57.21s CPU 57.84s WALL ( 9258 calls) cegterg:over : 4.25s CPU 4.32s WALL ( 8832 calls) cegterg:upda : 3.11s CPU 3.26s WALL ( 8832 calls) cegterg:last : 1.78s CPU 1.80s WALL ( 1579 calls) cdiaghg:chol : 2.94s CPU 3.12s WALL ( 9258 calls) cdiaghg:inve : 1.92s CPU 1.94s WALL ( 9258 calls) cdiaghg:para : 3.42s CPU 3.38s WALL ( 18516 calls) Called by h_psi: h_psi:vloc : 47.64s CPU 48.88s WALL ( 9827 calls) h_psi:vnl : 10.47s CPU 10.59s WALL ( 9827 calls) add_vuspsi : 5.84s CPU 5.82s WALL ( 9827 calls) General routines calbec : 4.62s CPU 4.75s WALL ( 9827 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 40.55s CPU 41.57s WALL ( 892560 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.12s CPU 0.15s WALL ( 852 calls) Parallel routines fft_scatter : 20.92s CPU 21.25s WALL ( 892583 calls) PWSCF : 2m28.12s CPU 3m 4.40s WALL This run was terminated on: 16:58: 3 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=