Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 18:53:37 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: ./GePt.save/ file Pt.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 6S 5D 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 72 27 8 3682 845 138 Max 73 28 9 3687 872 142 Sum 2617 1001 295 132645 30931 5039 bravais-lattice index = 14 lattice parameter (alat) = 6.9939 a.u. unit-cell volume = 871.5583 (a.u.)^3 number of atoms/cell = 8 number of atomic types = 2 number of electrons = 56.00 number of Kohn-Sham states= 68 kinetic-energy cutoff = 41.0000 Ry charge density cutoff = 433.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 6.993876 celldm(2)= 1.548771 celldm(3)= 1.644961 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= 0.000000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.000000 1.548771 0.000000 ) a(3) = ( 0.000000 0.000000 1.644961 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 0.645673 -0.000000 ) b(3) = ( 0.000000 0.000000 0.607917 ) PseudoPot. # 1 for Ge read from file: /users/gautes/Pseudo/Ge.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 069ab8842bb693aa9ce6e533f48e0b78 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1207 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Pt read from file: /users/gautes/Pseudo/Pt.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 5a767c0d250ba2b616d7addddc548ecc Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1277 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 Ge 4.00 72.64000 Ge( 1.00) Pt 10.00 195.08400 Pt( 1.00) 8 Sym. Ops., with inversion, found ( 6 have fractional translation) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) f =( 0.0000000 ) ( 0 -1 0 ) ( 0.5000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) f =( 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.7743853 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.8224804 ) isym = 3 180 deg rotation - cart. axis [0,1,0] cryst. s( 3) = ( -1 0 0 ) f =( 0.5000000 ) ( 0 1 0 ) ( 0.5000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s( 3) = ( -1.0000000 0.0000000 -0.0000000 ) f =( 0.5000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.7743853 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.8224804 ) isym = 4 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( 1 0 0 ) f =( 0.5000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s( 4) = ( 1.0000000 -0.0000000 -0.0000000 ) f =( 0.5000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) isym = 5 inversion cryst. s( 5) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 5) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 6 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 6) = ( 1 0 0 ) f =( 0.0000000 ) ( 0 1 0 ) ( 0.5000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s( 6) = ( 1.0000000 0.0000000 -0.0000000 ) f =( 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.7743853 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.8224804 ) isym = 7 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s( 7) = ( 1 0 0 ) f =( 0.5000000 ) ( 0 -1 0 ) ( 0.5000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s( 7) = ( 1.0000000 -0.0000000 0.0000000 ) f =( 0.5000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.7743853 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.8224804 ) isym = 8 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 8) = ( -1 0 0 ) f =( 0.5000000 ) ( 0 1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.0000000 ) cart. s( 8) = ( -1.0000000 0.0000000 0.0000000 ) f =( 0.5000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) double point group D_2h (mmm) there are 10 classes and 2 irreducible representations the character table: E -E C2 C2' C2'' i -i s_v s_v' s_v'' -C2 -C2' -C2'' -s_v -s_v' -s_v' G_5+ 2.00 -2.00 0.00 0.00 0.00 2.00 -2.00 0.00 0.00 0.00 G_5- 2.00 -2.00 0.00 0.00 0.00 -2.00 2.00 0.00 0.00 0.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E C2 -C2 2 -2 180 deg rotation - cart. axis [0,0,1] C2' -C2' 3 -3 180 deg rotation - cart. axis [0,1,0] C2'' -C2'' 4 -4 180 deg rotation - cart. axis [1,0,0] i 5 inversion -i -5 inversion E s_v -s_v 6 -6 inv. 180 deg rotation - cart. axis [0,0,1] s_v'-s_v' 7 -7 inv. 180 deg rotation - cart. axis [0,1,0] s_v''-s_v' 8 -8 inv. 180 deg rotation - cart. axis [1,0,0] Cartesian axes number of k points= 400 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025000 k( 2) = ( 0.0116279 -0.0000000 -0.0000000), wk = 0.0025000 k( 3) = ( 0.0232558 -0.0000000 -0.0000000), wk = 0.0025000 k( 4) = ( 0.0348837 -0.0000000 -0.0000000), wk = 0.0025000 k( 5) = ( 0.0465116 -0.0000000 -0.0000000), wk = 0.0025000 k( 6) = ( 0.0581395 -0.0000000 -0.0000000), wk = 0.0025000 k( 7) = ( 0.0697674 -0.0000000 -0.0000000), wk = 0.0025000 k( 8) = ( 0.0813954 -0.0000000 -0.0000000), wk = 0.0025000 k( 9) = ( 0.0930233 -0.0000000 -0.0000000), wk = 0.0025000 k( 10) = ( 0.1046512 -0.0000000 -0.0000000), wk = 0.0025000 k( 11) = ( 0.1162791 -0.0000000 -0.0000000), wk = 0.0025000 k( 12) = ( 0.1279070 -0.0000000 -0.0000000), wk = 0.0025000 k( 13) = ( 0.1395349 -0.0000000 -0.0000000), wk = 0.0025000 k( 14) = ( 0.1511628 -0.0000000 -0.0000000), wk = 0.0025000 k( 15) = ( 0.1627907 -0.0000000 -0.0000000), wk = 0.0025000 k( 16) = ( 0.1744186 -0.0000000 -0.0000000), wk = 0.0025000 k( 17) = ( 0.1860465 -0.0000000 -0.0000000), wk = 0.0025000 k( 18) = ( 0.1976744 -0.0000000 -0.0000000), wk = 0.0025000 k( 19) = ( 0.2093023 -0.0000000 -0.0000000), wk = 0.0025000 k( 20) = ( 0.2209302 -0.0000000 -0.0000000), wk = 0.0025000 k( 21) = ( 0.2325581 -0.0000000 -0.0000000), wk = 0.0025000 k( 22) = ( 0.2441860 -0.0000000 -0.0000000), wk = 0.0025000 k( 23) = ( 0.2558140 -0.0000000 -0.0000000), wk = 0.0025000 k( 24) = ( 0.2674419 -0.0000000 -0.0000000), wk = 0.0025000 k( 25) = ( 0.2790698 -0.0000000 -0.0000000), wk = 0.0025000 k( 26) = ( 0.2906977 -0.0000000 -0.0000000), wk = 0.0025000 k( 27) = ( 0.3023256 -0.0000000 -0.0000000), wk = 0.0025000 k( 28) = ( 0.3139535 -0.0000000 -0.0000000), wk = 0.0025000 k( 29) = ( 0.3255814 -0.0000000 -0.0000000), wk = 0.0025000 k( 30) = ( 0.3372093 -0.0000000 -0.0000000), wk = 0.0025000 k( 31) = ( 0.3488372 -0.0000000 -0.0000000), wk = 0.0025000 k( 32) = ( 0.3604651 -0.0000000 -0.0000000), wk = 0.0025000 k( 33) = ( 0.3720930 -0.0000000 -0.0000000), wk = 0.0025000 k( 34) = ( 0.3837209 -0.0000000 -0.0000000), wk = 0.0025000 k( 35) = ( 0.3953488 -0.0000000 -0.0000000), wk = 0.0025000 k( 36) = ( 0.4069767 -0.0000000 -0.0000000), wk = 0.0025000 k( 37) = ( 0.4186047 -0.0000000 -0.0000000), wk = 0.0025000 k( 38) = ( 0.4302326 -0.0000000 -0.0000000), wk = 0.0025000 k( 39) = ( 0.4418605 -0.0000000 -0.0000000), wk = 0.0025000 k( 40) = ( 0.4534884 -0.0000000 -0.0000000), wk = 0.0025000 k( 41) = ( 0.4651163 -0.0000000 -0.0000000), wk = 0.0025000 k( 42) = ( 0.4767442 -0.0000000 -0.0000000), wk = 0.0025000 k( 43) = ( 0.4883721 -0.0000000 -0.0000000), wk = 0.0025000 k( 44) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0025000 k( 45) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0025000 k( 46) = ( 0.5000000 0.0115299 -0.0000000), wk = 0.0025000 k( 47) = ( 0.5000000 0.0230598 -0.0000000), wk = 0.0025000 k( 48) = ( 0.5000000 0.0345896 -0.0000000), wk = 0.0025000 k( 49) = ( 0.5000000 0.0461195 -0.0000000), wk = 0.0025000 k( 50) = ( 0.5000000 0.0576494 -0.0000000), wk = 0.0025000 k( 51) = ( 0.5000000 0.0691793 -0.0000000), wk = 0.0025000 k( 52) = ( 0.5000000 0.0807092 -0.0000000), wk = 0.0025000 k( 53) = ( 0.5000000 0.0922391 -0.0000000), wk = 0.0025000 k( 54) = ( 0.5000000 0.1037689 -0.0000000), wk = 0.0025000 k( 55) = ( 0.5000000 0.1152988 -0.0000000), wk = 0.0025000 k( 56) = ( 0.5000000 0.1268287 -0.0000000), wk = 0.0025000 k( 57) = ( 0.5000000 0.1383586 -0.0000000), wk = 0.0025000 k( 58) = ( 0.5000000 0.1498885 -0.0000000), wk = 0.0025000 k( 59) = ( 0.5000000 0.1614184 -0.0000000), wk = 0.0025000 k( 60) = ( 0.5000000 0.1729482 -0.0000000), wk = 0.0025000 k( 61) = ( 0.5000000 0.1844781 -0.0000000), wk = 0.0025000 k( 62) = ( 0.5000000 0.1960080 -0.0000000), wk = 0.0025000 k( 63) = ( 0.5000000 0.2075379 -0.0000000), wk = 0.0025000 k( 64) = ( 0.5000000 0.2190678 -0.0000000), wk = 0.0025000 k( 65) = ( 0.5000000 0.2305976 -0.0000000), wk = 0.0025000 k( 66) = ( 0.5000000 0.2421275 -0.0000000), wk = 0.0025000 k( 67) = ( 0.5000000 0.2536574 -0.0000000), wk = 0.0025000 k( 68) = ( 0.5000000 0.2651873 -0.0000000), wk = 0.0025000 k( 69) = ( 0.5000000 0.2767172 -0.0000000), wk = 0.0025000 k( 70) = ( 0.5000000 0.2882471 -0.0000000), wk = 0.0025000 k( 71) = ( 0.5000000 0.2997769 -0.0000000), wk = 0.0025000 k( 72) = ( 0.5000000 0.3113068 -0.0000000), wk = 0.0025000 k( 73) = ( 0.5000000 0.3228367 -0.0000000), wk = 0.0025000 k( 74) = ( 0.5000000 0.3228367 -0.0000000), wk = 0.0025000 k( 75) = ( 0.4883721 0.3228367 -0.0000000), wk = 0.0025000 k( 76) = ( 0.4767442 0.3228367 -0.0000000), wk = 0.0025000 k( 77) = ( 0.4651163 0.3228367 -0.0000000), wk = 0.0025000 k( 78) = ( 0.4534884 0.3228367 -0.0000000), wk = 0.0025000 k( 79) = ( 0.4418605 0.3228367 -0.0000000), wk = 0.0025000 k( 80) = ( 0.4302326 0.3228367 -0.0000000), wk = 0.0025000 k( 81) = ( 0.4186047 0.3228367 -0.0000000), wk = 0.0025000 k( 82) = ( 0.4069767 0.3228367 -0.0000000), wk = 0.0025000 k( 83) = ( 0.3953488 0.3228367 -0.0000000), wk = 0.0025000 k( 84) = ( 0.3837209 0.3228367 -0.0000000), wk = 0.0025000 k( 85) = ( 0.3720930 0.3228367 -0.0000000), wk = 0.0025000 k( 86) = ( 0.3604651 0.3228367 -0.0000000), wk = 0.0025000 k( 87) = ( 0.3488372 0.3228367 -0.0000000), wk = 0.0025000 k( 88) = ( 0.3372093 0.3228367 -0.0000000), wk = 0.0025000 k( 89) = ( 0.3255814 0.3228367 -0.0000000), wk = 0.0025000 k( 90) = ( 0.3139535 0.3228367 -0.0000000), wk = 0.0025000 k( 91) = ( 0.3023256 0.3228367 -0.0000000), wk = 0.0025000 k( 92) = ( 0.2906977 0.3228367 -0.0000000), wk = 0.0025000 k( 93) = ( 0.2790698 0.3228367 -0.0000000), wk = 0.0025000 k( 94) = ( 0.2674419 0.3228367 -0.0000000), wk = 0.0025000 k( 95) = ( 0.2558140 0.3228367 -0.0000000), wk = 0.0025000 k( 96) = ( 0.2441860 0.3228367 -0.0000000), wk = 0.0025000 k( 97) = ( 0.2325581 0.3228367 -0.0000000), wk = 0.0025000 k( 98) = ( 0.2209302 0.3228367 -0.0000000), wk = 0.0025000 k( 99) = ( 0.2093023 0.3228367 -0.0000000), wk = 0.0025000 k( 100) = ( 0.1976744 0.3228367 -0.0000000), wk = 0.0025000 k( 101) = ( 0.1860465 0.3228367 -0.0000000), wk = 0.0025000 k( 102) = ( 0.1744186 0.3228367 -0.0000000), wk = 0.0025000 k( 103) = ( 0.1627907 0.3228367 -0.0000000), wk = 0.0025000 k( 104) = ( 0.1511628 0.3228367 -0.0000000), wk = 0.0025000 k( 105) = ( 0.1395349 0.3228367 -0.0000000), wk = 0.0025000 k( 106) = ( 0.1279070 0.3228367 -0.0000000), wk = 0.0025000 k( 107) = ( 0.1162791 0.3228367 -0.0000000), wk = 0.0025000 k( 108) = ( 0.1046512 0.3228367 -0.0000000), wk = 0.0025000 k( 109) = ( 0.0930233 0.3228367 -0.0000000), wk = 0.0025000 k( 110) = ( 0.0813954 0.3228367 -0.0000000), wk = 0.0025000 k( 111) = ( 0.0697674 0.3228367 -0.0000000), wk = 0.0025000 k( 112) = ( 0.0581395 0.3228367 -0.0000000), wk = 0.0025000 k( 113) = ( 0.0465116 0.3228367 -0.0000000), wk = 0.0025000 k( 114) = ( 0.0348837 0.3228367 -0.0000000), wk = 0.0025000 k( 115) = ( 0.0232558 0.3228367 -0.0000000), wk = 0.0025000 k( 116) = ( 0.0116279 0.3228367 -0.0000000), wk = 0.0025000 k( 117) = ( 0.0000000 0.3228367 -0.0000000), wk = 0.0025000 k( 118) = ( 0.0000000 0.3228367 -0.0000000), wk = 0.0025000 k( 119) = ( 0.0000000 0.3113068 -0.0000000), wk = 0.0025000 k( 120) = ( 0.0000000 0.2997769 -0.0000000), wk = 0.0025000 k( 121) = ( 0.0000000 0.2882471 -0.0000000), wk = 0.0025000 k( 122) = ( 0.0000000 0.2767172 -0.0000000), wk = 0.0025000 k( 123) = ( 0.0000000 0.2651873 -0.0000000), wk = 0.0025000 k( 124) = ( 0.0000000 0.2536574 -0.0000000), wk = 0.0025000 k( 125) = ( 0.0000000 0.2421275 -0.0000000), wk = 0.0025000 k( 126) = ( 0.0000000 0.2305976 -0.0000000), wk = 0.0025000 k( 127) = ( 0.0000000 0.2190678 -0.0000000), wk = 0.0025000 k( 128) = ( 0.0000000 0.2075379 -0.0000000), wk = 0.0025000 k( 129) = ( 0.0000000 0.1960080 -0.0000000), wk = 0.0025000 k( 130) = ( 0.0000000 0.1844781 -0.0000000), wk = 0.0025000 k( 131) = ( 0.0000000 0.1729482 -0.0000000), wk = 0.0025000 k( 132) = ( 0.0000000 0.1614184 -0.0000000), wk = 0.0025000 k( 133) = ( 0.0000000 0.1498885 -0.0000000), wk = 0.0025000 k( 134) = ( 0.0000000 0.1383586 -0.0000000), wk = 0.0025000 k( 135) = ( 0.0000000 0.1268287 -0.0000000), wk = 0.0025000 k( 136) = ( 0.0000000 0.1152988 -0.0000000), wk = 0.0025000 k( 137) = ( 0.0000000 0.1037689 -0.0000000), wk = 0.0025000 k( 138) = ( 0.0000000 0.0922391 -0.0000000), wk = 0.0025000 k( 139) = ( 0.0000000 0.0807092 -0.0000000), wk = 0.0025000 k( 140) = ( 0.0000000 0.0691793 -0.0000000), wk = 0.0025000 k( 141) = ( 0.0000000 0.0576494 -0.0000000), wk = 0.0025000 k( 142) = ( 0.0000000 0.0461195 -0.0000000), wk = 0.0025000 k( 143) = ( 0.0000000 0.0345896 -0.0000000), wk = 0.0025000 k( 144) = ( 0.0000000 0.0230598 -0.0000000), wk = 0.0025000 k( 145) = ( 0.0000000 0.0115299 -0.0000000), wk = 0.0025000 k( 146) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025000 k( 147) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025000 k( 148) = ( 0.0000000 0.0000000 0.0116907), wk = 0.0025000 k( 149) = ( 0.0000000 0.0000000 0.0233814), wk = 0.0025000 k( 150) = ( 0.0000000 0.0000000 0.0350721), wk = 0.0025000 k( 151) = ( 0.0000000 0.0000000 0.0467629), wk = 0.0025000 k( 152) = ( 0.0000000 0.0000000 0.0584536), wk = 0.0025000 k( 153) = ( 0.0000000 0.0000000 0.0701443), wk = 0.0025000 k( 154) = ( 0.0000000 0.0000000 0.0818350), wk = 0.0025000 k( 155) = ( 0.0000000 0.0000000 0.0935257), wk = 0.0025000 k( 156) = ( 0.0000000 0.0000000 0.1052164), wk = 0.0025000 k( 157) = ( 0.0000000 0.0000000 0.1169072), wk = 0.0025000 k( 158) = ( 0.0000000 0.0000000 0.1285979), wk = 0.0025000 k( 159) = ( 0.0000000 0.0000000 0.1402886), wk = 0.0025000 k( 160) = ( 0.0000000 0.0000000 0.1519793), wk = 0.0025000 k( 161) = ( 0.0000000 0.0000000 0.1636700), wk = 0.0025000 k( 162) = ( 0.0000000 0.0000000 0.1753607), wk = 0.0025000 k( 163) = ( 0.0000000 0.0000000 0.1870515), wk = 0.0025000 k( 164) = ( 0.0000000 0.0000000 0.1987422), wk = 0.0025000 k( 165) = ( 0.0000000 0.0000000 0.2104329), wk = 0.0025000 k( 166) = ( 0.0000000 0.0000000 0.2221236), wk = 0.0025000 k( 167) = ( 0.0000000 0.0000000 0.2338143), wk = 0.0025000 k( 168) = ( 0.0000000 0.0000000 0.2455050), wk = 0.0025000 k( 169) = ( 0.0000000 0.0000000 0.2571957), wk = 0.0025000 k( 170) = ( 0.0000000 0.0000000 0.2688865), wk = 0.0025000 k( 171) = ( 0.0000000 0.0000000 0.2805772), wk = 0.0025000 k( 172) = ( 0.0000000 0.0000000 0.2922679), wk = 0.0025000 k( 173) = ( 0.0000000 0.0000000 0.3039586), wk = 0.0025000 k( 174) = ( 0.0000000 0.0000000 0.3039586), wk = 0.0025000 k( 175) = ( 0.0116279 -0.0000000 0.3039586), wk = 0.0025000 k( 176) = ( 0.0232558 -0.0000000 0.3039586), wk = 0.0025000 k( 177) = ( 0.0348837 -0.0000000 0.3039586), wk = 0.0025000 k( 178) = ( 0.0465116 -0.0000000 0.3039586), wk = 0.0025000 k( 179) = ( 0.0581395 -0.0000000 0.3039586), wk = 0.0025000 k( 180) = ( 0.0697674 -0.0000000 0.3039586), wk = 0.0025000 k( 181) = ( 0.0813954 -0.0000000 0.3039586), wk = 0.0025000 k( 182) = ( 0.0930233 -0.0000000 0.3039586), wk = 0.0025000 k( 183) = ( 0.1046512 -0.0000000 0.3039586), wk = 0.0025000 k( 184) = ( 0.1162791 -0.0000000 0.3039586), wk = 0.0025000 k( 185) = ( 0.1279070 -0.0000000 0.3039586), wk = 0.0025000 k( 186) = ( 0.1395349 -0.0000000 0.3039586), wk = 0.0025000 k( 187) = ( 0.1511628 -0.0000000 0.3039586), wk = 0.0025000 k( 188) = ( 0.1627907 -0.0000000 0.3039586), wk = 0.0025000 k( 189) = ( 0.1744186 -0.0000000 0.3039586), wk = 0.0025000 k( 190) = ( 0.1860465 -0.0000000 0.3039586), wk = 0.0025000 k( 191) = ( 0.1976744 -0.0000000 0.3039586), wk = 0.0025000 k( 192) = ( 0.2093023 -0.0000000 0.3039586), wk = 0.0025000 k( 193) = ( 0.2209302 -0.0000000 0.3039586), wk = 0.0025000 k( 194) = ( 0.2325581 -0.0000000 0.3039586), wk = 0.0025000 k( 195) = ( 0.2441860 -0.0000000 0.3039586), wk = 0.0025000 k( 196) = ( 0.2558140 -0.0000000 0.3039586), wk = 0.0025000 k( 197) = ( 0.2674419 -0.0000000 0.3039586), wk = 0.0025000 k( 198) = ( 0.2790698 -0.0000000 0.3039586), wk = 0.0025000 k( 199) = ( 0.2906977 -0.0000000 0.3039586), wk = 0.0025000 k( 200) = ( 0.3023256 -0.0000000 0.3039586), wk = 0.0025000 k( 201) = ( 0.3139535 -0.0000000 0.3039586), wk = 0.0025000 k( 202) = ( 0.3255814 -0.0000000 0.3039586), wk = 0.0025000 k( 203) = ( 0.3372093 -0.0000000 0.3039586), wk = 0.0025000 k( 204) = ( 0.3488372 -0.0000000 0.3039586), wk = 0.0025000 k( 205) = ( 0.3604651 -0.0000000 0.3039586), wk = 0.0025000 k( 206) = ( 0.3720930 -0.0000000 0.3039586), wk = 0.0025000 k( 207) = ( 0.3837209 -0.0000000 0.3039586), wk = 0.0025000 k( 208) = ( 0.3953488 -0.0000000 0.3039586), wk = 0.0025000 k( 209) = ( 0.4069767 -0.0000000 0.3039586), wk = 0.0025000 k( 210) = ( 0.4186047 -0.0000000 0.3039586), wk = 0.0025000 k( 211) = ( 0.4302326 -0.0000000 0.3039586), wk = 0.0025000 k( 212) = ( 0.4418605 -0.0000000 0.3039586), wk = 0.0025000 k( 213) = ( 0.4534884 -0.0000000 0.3039586), wk = 0.0025000 k( 214) = ( 0.4651163 -0.0000000 0.3039586), wk = 0.0025000 k( 215) = ( 0.4767442 -0.0000000 0.3039586), wk = 0.0025000 k( 216) = ( 0.4883721 -0.0000000 0.3039586), wk = 0.0025000 k( 217) = ( 0.5000000 -0.0000000 0.3039586), wk = 0.0025000 k( 218) = ( 0.5000000 -0.0000000 0.3039586), wk = 0.0025000 k( 219) = ( 0.5000000 0.0115299 0.3039586), wk = 0.0025000 k( 220) = ( 0.5000000 0.0230598 0.3039586), wk = 0.0025000 k( 221) = ( 0.5000000 0.0345896 0.3039586), wk = 0.0025000 k( 222) = ( 0.5000000 0.0461195 0.3039586), wk = 0.0025000 k( 223) = ( 0.5000000 0.0576494 0.3039586), wk = 0.0025000 k( 224) = ( 0.5000000 0.0691793 0.3039586), wk = 0.0025000 k( 225) = ( 0.5000000 0.0807092 0.3039586), wk = 0.0025000 k( 226) = ( 0.5000000 0.0922391 0.3039586), wk = 0.0025000 k( 227) = ( 0.5000000 0.1037689 0.3039586), wk = 0.0025000 k( 228) = ( 0.5000000 0.1152988 0.3039586), wk = 0.0025000 k( 229) = ( 0.5000000 0.1268287 0.3039586), wk = 0.0025000 k( 230) = ( 0.5000000 0.1383586 0.3039586), wk = 0.0025000 k( 231) = ( 0.5000000 0.1498885 0.3039586), wk = 0.0025000 k( 232) = ( 0.5000000 0.1614184 0.3039586), wk = 0.0025000 k( 233) = ( 0.5000000 0.1729482 0.3039586), wk = 0.0025000 k( 234) = ( 0.5000000 0.1844781 0.3039586), wk = 0.0025000 k( 235) = ( 0.5000000 0.1960080 0.3039586), wk = 0.0025000 k( 236) = ( 0.5000000 0.2075379 0.3039586), wk = 0.0025000 k( 237) = ( 0.5000000 0.2190678 0.3039586), wk = 0.0025000 k( 238) = ( 0.5000000 0.2305976 0.3039586), wk = 0.0025000 k( 239) = ( 0.5000000 0.2421275 0.3039586), wk = 0.0025000 k( 240) = ( 0.5000000 0.2536574 0.3039586), wk = 0.0025000 k( 241) = ( 0.5000000 0.2651873 0.3039586), wk = 0.0025000 k( 242) = ( 0.5000000 0.2767172 0.3039586), wk = 0.0025000 k( 243) = ( 0.5000000 0.2882471 0.3039586), wk = 0.0025000 k( 244) = ( 0.5000000 0.2997769 0.3039586), wk = 0.0025000 k( 245) = ( 0.5000000 0.3113068 0.3039586), wk = 0.0025000 k( 246) = ( 0.5000000 0.3228367 0.3039586), wk = 0.0025000 k( 247) = ( 0.5000000 0.3228367 0.3039586), wk = 0.0025000 k( 248) = ( 0.4883721 0.3228367 0.3039586), wk = 0.0025000 k( 249) = ( 0.4767442 0.3228367 0.3039586), wk = 0.0025000 k( 250) = ( 0.4651163 0.3228367 0.3039586), wk = 0.0025000 k( 251) = ( 0.4534884 0.3228367 0.3039586), wk = 0.0025000 k( 252) = ( 0.4418605 0.3228367 0.3039586), wk = 0.0025000 k( 253) = ( 0.4302326 0.3228367 0.3039586), wk = 0.0025000 k( 254) = ( 0.4186047 0.3228367 0.3039586), wk = 0.0025000 k( 255) = ( 0.4069767 0.3228367 0.3039586), wk = 0.0025000 k( 256) = ( 0.3953488 0.3228367 0.3039586), wk = 0.0025000 k( 257) = ( 0.3837209 0.3228367 0.3039586), wk = 0.0025000 k( 258) = ( 0.3720930 0.3228367 0.3039586), wk = 0.0025000 k( 259) = ( 0.3604651 0.3228367 0.3039586), wk = 0.0025000 k( 260) = ( 0.3488372 0.3228367 0.3039586), wk = 0.0025000 k( 261) = ( 0.3372093 0.3228367 0.3039586), wk = 0.0025000 k( 262) = ( 0.3255814 0.3228367 0.3039586), wk = 0.0025000 k( 263) = ( 0.3139535 0.3228367 0.3039586), wk = 0.0025000 k( 264) = ( 0.3023256 0.3228367 0.3039586), wk = 0.0025000 k( 265) = ( 0.2906977 0.3228367 0.3039586), wk = 0.0025000 k( 266) = ( 0.2790698 0.3228367 0.3039586), wk = 0.0025000 k( 267) = ( 0.2674419 0.3228367 0.3039586), wk = 0.0025000 k( 268) = ( 0.2558140 0.3228367 0.3039586), wk = 0.0025000 k( 269) = ( 0.2441860 0.3228367 0.3039586), wk = 0.0025000 k( 270) = ( 0.2325581 0.3228367 0.3039586), wk = 0.0025000 k( 271) = ( 0.2209302 0.3228367 0.3039586), wk = 0.0025000 k( 272) = ( 0.2093023 0.3228367 0.3039586), wk = 0.0025000 k( 273) = ( 0.1976744 0.3228367 0.3039586), wk = 0.0025000 k( 274) = ( 0.1860465 0.3228367 0.3039586), wk = 0.0025000 k( 275) = ( 0.1744186 0.3228367 0.3039586), wk = 0.0025000 k( 276) = ( 0.1627907 0.3228367 0.3039586), wk = 0.0025000 k( 277) = ( 0.1511628 0.3228367 0.3039586), wk = 0.0025000 k( 278) = ( 0.1395349 0.3228367 0.3039586), wk = 0.0025000 k( 279) = ( 0.1279070 0.3228367 0.3039586), wk = 0.0025000 k( 280) = ( 0.1162791 0.3228367 0.3039586), wk = 0.0025000 k( 281) = ( 0.1046512 0.3228367 0.3039586), wk = 0.0025000 k( 282) = ( 0.0930233 0.3228367 0.3039586), wk = 0.0025000 k( 283) = ( 0.0813954 0.3228367 0.3039586), wk = 0.0025000 k( 284) = ( 0.0697674 0.3228367 0.3039586), wk = 0.0025000 k( 285) = ( 0.0581395 0.3228367 0.3039586), wk = 0.0025000 k( 286) = ( 0.0465116 0.3228367 0.3039586), wk = 0.0025000 k( 287) = ( 0.0348837 0.3228367 0.3039586), wk = 0.0025000 k( 288) = ( 0.0232558 0.3228367 0.3039586), wk = 0.0025000 k( 289) = ( 0.0116279 0.3228367 0.3039586), wk = 0.0025000 k( 290) = ( 0.0000000 0.3228367 0.3039586), wk = 0.0025000 k( 291) = ( 0.0000000 0.3228367 0.3039586), wk = 0.0025000 k( 292) = ( 0.0000000 0.3113068 0.3039586), wk = 0.0025000 k( 293) = ( 0.0000000 0.2997769 0.3039586), wk = 0.0025000 k( 294) = ( 0.0000000 0.2882471 0.3039586), wk = 0.0025000 k( 295) = ( 0.0000000 0.2767172 0.3039586), wk = 0.0025000 k( 296) = ( 0.0000000 0.2651873 0.3039586), wk = 0.0025000 k( 297) = ( 0.0000000 0.2536574 0.3039586), wk = 0.0025000 k( 298) = ( 0.0000000 0.2421275 0.3039586), wk = 0.0025000 k( 299) = ( 0.0000000 0.2305976 0.3039586), wk = 0.0025000 k( 300) = ( 0.0000000 0.2190678 0.3039586), wk = 0.0025000 k( 301) = ( 0.0000000 0.2075379 0.3039586), wk = 0.0025000 k( 302) = ( 0.0000000 0.1960080 0.3039586), wk = 0.0025000 k( 303) = ( 0.0000000 0.1844781 0.3039586), wk = 0.0025000 k( 304) = ( 0.0000000 0.1729482 0.3039586), wk = 0.0025000 k( 305) = ( 0.0000000 0.1614184 0.3039586), wk = 0.0025000 k( 306) = ( 0.0000000 0.1498885 0.3039586), wk = 0.0025000 k( 307) = ( 0.0000000 0.1383586 0.3039586), wk = 0.0025000 k( 308) = ( 0.0000000 0.1268287 0.3039586), wk = 0.0025000 k( 309) = ( 0.0000000 0.1152988 0.3039586), wk = 0.0025000 k( 310) = ( 0.0000000 0.1037689 0.3039586), wk = 0.0025000 k( 311) = ( 0.0000000 0.0922391 0.3039586), wk = 0.0025000 k( 312) = ( 0.0000000 0.0807092 0.3039586), wk = 0.0025000 k( 313) = ( 0.0000000 0.0691793 0.3039586), wk = 0.0025000 k( 314) = ( 0.0000000 0.0576494 0.3039586), wk = 0.0025000 k( 315) = ( 0.0000000 0.0461195 0.3039586), wk = 0.0025000 k( 316) = ( 0.0000000 0.0345896 0.3039586), wk = 0.0025000 k( 317) = ( 0.0000000 0.0230598 0.3039586), wk = 0.0025000 k( 318) = ( 0.0000000 0.0115299 0.3039586), wk = 0.0025000 k( 319) = ( 0.0000000 0.0000000 0.3039586), wk = 0.0025000 k( 320) = ( 0.0000000 0.3228367 -0.0000000), wk = 0.0025000 k( 321) = ( 0.0000000 0.3228367 0.0116907), wk = 0.0025000 k( 322) = ( 0.0000000 0.3228367 0.0233814), wk = 0.0025000 k( 323) = ( 0.0000000 0.3228367 0.0350721), wk = 0.0025000 k( 324) = ( 0.0000000 0.3228367 0.0467629), wk = 0.0025000 k( 325) = ( 0.0000000 0.3228367 0.0584536), wk = 0.0025000 k( 326) = ( 0.0000000 0.3228367 0.0701443), wk = 0.0025000 k( 327) = ( 0.0000000 0.3228367 0.0818350), wk = 0.0025000 k( 328) = ( 0.0000000 0.3228367 0.0935257), wk = 0.0025000 k( 329) = ( 0.0000000 0.3228367 0.1052164), wk = 0.0025000 k( 330) = ( 0.0000000 0.3228367 0.1169072), wk = 0.0025000 k( 331) = ( 0.0000000 0.3228367 0.1285979), wk = 0.0025000 k( 332) = ( 0.0000000 0.3228367 0.1402886), wk = 0.0025000 k( 333) = ( 0.0000000 0.3228367 0.1519793), wk = 0.0025000 k( 334) = ( 0.0000000 0.3228367 0.1636700), wk = 0.0025000 k( 335) = ( 0.0000000 0.3228367 0.1753607), wk = 0.0025000 k( 336) = ( 0.0000000 0.3228367 0.1870515), wk = 0.0025000 k( 337) = ( 0.0000000 0.3228367 0.1987422), wk = 0.0025000 k( 338) = ( 0.0000000 0.3228367 0.2104329), wk = 0.0025000 k( 339) = ( 0.0000000 0.3228367 0.2221236), wk = 0.0025000 k( 340) = ( 0.0000000 0.3228367 0.2338143), wk = 0.0025000 k( 341) = ( 0.0000000 0.3228367 0.2455050), wk = 0.0025000 k( 342) = ( 0.0000000 0.3228367 0.2571957), wk = 0.0025000 k( 343) = ( 0.0000000 0.3228367 0.2688865), wk = 0.0025000 k( 344) = ( 0.0000000 0.3228367 0.2805772), wk = 0.0025000 k( 345) = ( 0.0000000 0.3228367 0.2922679), wk = 0.0025000 k( 346) = ( 0.0000000 0.3228367 0.3039586), wk = 0.0025000 k( 347) = ( 0.5000000 -0.0000000 0.3039586), wk = 0.0025000 k( 348) = ( 0.5000000 -0.0000000 0.2922679), wk = 0.0025000 k( 349) = ( 0.5000000 -0.0000000 0.2805772), wk = 0.0025000 k( 350) = ( 0.5000000 -0.0000000 0.2688865), wk = 0.0025000 k( 351) = ( 0.5000000 -0.0000000 0.2571957), wk = 0.0025000 k( 352) = ( 0.5000000 -0.0000000 0.2455050), wk = 0.0025000 k( 353) = ( 0.5000000 -0.0000000 0.2338143), wk = 0.0025000 k( 354) = ( 0.5000000 -0.0000000 0.2221236), wk = 0.0025000 k( 355) = ( 0.5000000 -0.0000000 0.2104329), wk = 0.0025000 k( 356) = ( 0.5000000 -0.0000000 0.1987422), wk = 0.0025000 k( 357) = ( 0.5000000 -0.0000000 0.1870515), wk = 0.0025000 k( 358) = ( 0.5000000 -0.0000000 0.1753607), wk = 0.0025000 k( 359) = ( 0.5000000 -0.0000000 0.1636700), wk = 0.0025000 k( 360) = ( 0.5000000 -0.0000000 0.1519793), wk = 0.0025000 k( 361) = ( 0.5000000 -0.0000000 0.1402886), wk = 0.0025000 k( 362) = ( 0.5000000 -0.0000000 0.1285979), wk = 0.0025000 k( 363) = ( 0.5000000 -0.0000000 0.1169072), wk = 0.0025000 k( 364) = ( 0.5000000 -0.0000000 0.1052164), wk = 0.0025000 k( 365) = ( 0.5000000 -0.0000000 0.0935257), wk = 0.0025000 k( 366) = ( 0.5000000 -0.0000000 0.0818350), wk = 0.0025000 k( 367) = ( 0.5000000 -0.0000000 0.0701443), wk = 0.0025000 k( 368) = ( 0.5000000 -0.0000000 0.0584536), wk = 0.0025000 k( 369) = ( 0.5000000 -0.0000000 0.0467629), wk = 0.0025000 k( 370) = ( 0.5000000 -0.0000000 0.0350721), wk = 0.0025000 k( 371) = ( 0.5000000 -0.0000000 0.0233814), wk = 0.0025000 k( 372) = ( 0.5000000 -0.0000000 0.0116907), wk = 0.0025000 k( 373) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0025000 k( 374) = ( 0.5000000 0.3228367 -0.0000000), wk = 0.0025000 k( 375) = ( 0.5000000 0.3228367 0.0116907), wk = 0.0025000 k( 376) = ( 0.5000000 0.3228367 0.0233814), wk = 0.0025000 k( 377) = ( 0.5000000 0.3228367 0.0350721), wk = 0.0025000 k( 378) = ( 0.5000000 0.3228367 0.0467629), wk = 0.0025000 k( 379) = ( 0.5000000 0.3228367 0.0584536), wk = 0.0025000 k( 380) = ( 0.5000000 0.3228367 0.0701443), wk = 0.0025000 k( 381) = ( 0.5000000 0.3228367 0.0818350), wk = 0.0025000 k( 382) = ( 0.5000000 0.3228367 0.0935257), wk = 0.0025000 k( 383) = ( 0.5000000 0.3228367 0.1052164), wk = 0.0025000 k( 384) = ( 0.5000000 0.3228367 0.1169072), wk = 0.0025000 k( 385) = ( 0.5000000 0.3228367 0.1285979), wk = 0.0025000 k( 386) = ( 0.5000000 0.3228367 0.1402886), wk = 0.0025000 k( 387) = ( 0.5000000 0.3228367 0.1519793), wk = 0.0025000 k( 388) = ( 0.5000000 0.3228367 0.1636700), wk = 0.0025000 k( 389) = ( 0.5000000 0.3228367 0.1753607), wk = 0.0025000 k( 390) = ( 0.5000000 0.3228367 0.1870515), wk = 0.0025000 k( 391) = ( 0.5000000 0.3228367 0.1987422), wk = 0.0025000 k( 392) = ( 0.5000000 0.3228367 0.2104329), wk = 0.0025000 k( 393) = ( 0.5000000 0.3228367 0.2221236), wk = 0.0025000 k( 394) = ( 0.5000000 0.3228367 0.2338143), wk = 0.0025000 k( 395) = ( 0.5000000 0.3228367 0.2455050), wk = 0.0025000 k( 396) = ( 0.5000000 0.3228367 0.2571957), wk = 0.0025000 k( 397) = ( 0.5000000 0.3228367 0.2688865), wk = 0.0025000 k( 398) = ( 0.5000000 0.3228367 0.2805772), wk = 0.0025000 k( 399) = ( 0.5000000 0.3228367 0.2922679), wk = 0.0025000 k( 400) = ( 0.5000000 0.3228367 0.3039586), wk = 0.0025000 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025000 k( 2) = ( 0.0116279 -0.0000000 0.0000000), wk = 0.0025000 k( 3) = ( 0.0232558 -0.0000000 0.0000000), wk = 0.0025000 k( 4) = ( 0.0348837 0.0000000 0.0000000), wk = 0.0025000 k( 5) = ( 0.0465116 -0.0000000 0.0000000), wk = 0.0025000 k( 6) = ( 0.0581395 0.0000000 0.0000000), wk = 0.0025000 k( 7) = ( 0.0697674 0.0000000 0.0000000), wk = 0.0025000 k( 8) = ( 0.0813954 0.0000000 0.0000000), wk = 0.0025000 k( 9) = ( 0.0930233 -0.0000000 0.0000000), wk = 0.0025000 k( 10) = ( 0.1046512 -0.0000000 0.0000000), wk = 0.0025000 k( 11) = ( 0.1162791 0.0000000 0.0000000), wk = 0.0025000 k( 12) = ( 0.1279070 0.0000000 0.0000000), wk = 0.0025000 k( 13) = ( 0.1395349 0.0000000 0.0000000), wk = 0.0025000 k( 14) = ( 0.1511628 0.0000000 -0.0000000), wk = 0.0025000 k( 15) = ( 0.1627907 0.0000000 0.0000000), wk = 0.0025000 k( 16) = ( 0.1744186 0.0000000 0.0000000), wk = 0.0025000 k( 17) = ( 0.1860465 0.0000000 0.0000000), wk = 0.0025000 k( 18) = ( 0.1976744 -0.0000000 0.0000000), wk = 0.0025000 k( 19) = ( 0.2093023 0.0000000 0.0000000), wk = 0.0025000 k( 20) = ( 0.2209302 0.0000000 0.0000000), wk = 0.0025000 k( 21) = ( 0.2325581 0.0000000 0.0000000), wk = 0.0025000 k( 22) = ( 0.2441860 0.0000000 0.0000000), wk = 0.0025000 k( 23) = ( 0.2558140 0.0000000 0.0000000), wk = 0.0025000 k( 24) = ( 0.2674419 -0.0000000 0.0000000), wk = 0.0025000 k( 25) = ( 0.2790698 0.0000000 0.0000000), wk = 0.0025000 k( 26) = ( 0.2906977 0.0000000 0.0000000), wk = 0.0025000 k( 27) = ( 0.3023256 0.0000000 -0.0000000), wk = 0.0025000 k( 28) = ( 0.3139535 -0.0000000 0.0000000), wk = 0.0025000 k( 29) = ( 0.3255814 0.0000000 0.0000000), wk = 0.0025000 k( 30) = ( 0.3372093 0.0000000 0.0000000), wk = 0.0025000 k( 31) = ( 0.3488372 0.0000000 0.0000000), wk = 0.0025000 k( 32) = ( 0.3604651 -0.0000000 0.0000000), wk = 0.0025000 k( 33) = ( 0.3720930 0.0000000 0.0000000), wk = 0.0025000 k( 34) = ( 0.3837209 0.0000000 0.0000000), wk = 0.0025000 k( 35) = ( 0.3953488 -0.0000000 0.0000000), wk = 0.0025000 k( 36) = ( 0.4069767 0.0000000 0.0000000), wk = 0.0025000 k( 37) = ( 0.4186047 0.0000000 0.0000000), wk = 0.0025000 k( 38) = ( 0.4302326 0.0000000 0.0000000), wk = 0.0025000 k( 39) = ( 0.4418605 0.0000000 0.0000000), wk = 0.0025000 k( 40) = ( 0.4534884 0.0000000 0.0000000), wk = 0.0025000 k( 41) = ( 0.4651163 0.0000000 0.0000000), wk = 0.0025000 k( 42) = ( 0.4767442 0.0000000 0.0000000), wk = 0.0025000 k( 43) = ( 0.4883721 0.0000000 0.0000000), wk = 0.0025000 k( 44) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0025000 k( 45) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0025000 k( 46) = ( 0.5000000 0.0178571 0.0000000), wk = 0.0025000 k( 47) = ( 0.5000000 0.0357143 0.0000000), wk = 0.0025000 k( 48) = ( 0.5000000 0.0535714 0.0000000), wk = 0.0025000 k( 49) = ( 0.5000000 0.0714286 0.0000000), wk = 0.0025000 k( 50) = ( 0.5000000 0.0892857 0.0000000), wk = 0.0025000 k( 51) = ( 0.5000000 0.1071429 0.0000000), wk = 0.0025000 k( 52) = ( 0.5000000 0.1250000 0.0000000), wk = 0.0025000 k( 53) = ( 0.5000000 0.1428571 0.0000000), wk = 0.0025000 k( 54) = ( 0.5000000 0.1607143 0.0000000), wk = 0.0025000 k( 55) = ( 0.5000000 0.1785714 0.0000000), wk = 0.0025000 k( 56) = ( 0.5000000 0.1964286 0.0000000), wk = 0.0025000 k( 57) = ( 0.5000000 0.2142857 0.0000000), wk = 0.0025000 k( 58) = ( 0.5000000 0.2321429 -0.0000000), wk = 0.0025000 k( 59) = ( 0.5000000 0.2500000 0.0000000), wk = 0.0025000 k( 60) = ( 0.5000000 0.2678571 0.0000000), wk = 0.0025000 k( 61) = ( 0.5000000 0.2857143 0.0000000), wk = 0.0025000 k( 62) = ( 0.5000000 0.3035714 0.0000000), wk = 0.0025000 k( 63) = ( 0.5000000 0.3214286 0.0000000), wk = 0.0025000 k( 64) = ( 0.5000000 0.3392857 0.0000000), wk = 0.0025000 k( 65) = ( 0.5000000 0.3571429 0.0000000), wk = 0.0025000 k( 66) = ( 0.5000000 0.3750000 -0.0000000), wk = 0.0025000 k( 67) = ( 0.5000000 0.3928571 0.0000000), wk = 0.0025000 k( 68) = ( 0.5000000 0.4107143 -0.0000000), wk = 0.0025000 k( 69) = ( 0.5000000 0.4285714 0.0000000), wk = 0.0025000 k( 70) = ( 0.5000000 0.4464286 -0.0000000), wk = 0.0025000 k( 71) = ( 0.5000000 0.4642857 0.0000000), wk = 0.0025000 k( 72) = ( 0.5000000 0.4821429 -0.0000000), wk = 0.0025000 k( 73) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0025000 k( 74) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0025000 k( 75) = ( 0.4883721 0.5000000 0.0000000), wk = 0.0025000 k( 76) = ( 0.4767442 0.5000000 0.0000000), wk = 0.0025000 k( 77) = ( 0.4651163 0.5000000 0.0000000), wk = 0.0025000 k( 78) = ( 0.4534884 0.5000000 0.0000000), wk = 0.0025000 k( 79) = ( 0.4418605 0.5000000 0.0000000), wk = 0.0025000 k( 80) = ( 0.4302326 0.5000000 0.0000000), wk = 0.0025000 k( 81) = ( 0.4186047 0.5000000 0.0000000), wk = 0.0025000 k( 82) = ( 0.4069767 0.5000000 0.0000000), wk = 0.0025000 k( 83) = ( 0.3953488 0.5000000 -0.0000000), wk = 0.0025000 k( 84) = ( 0.3837209 0.5000000 0.0000000), wk = 0.0025000 k( 85) = ( 0.3720930 0.5000000 -0.0000000), wk = 0.0025000 k( 86) = ( 0.3604651 0.5000000 -0.0000000), wk = 0.0025000 k( 87) = ( 0.3488372 0.5000000 -0.0000000), wk = 0.0025000 k( 88) = ( 0.3372093 0.5000000 -0.0000000), wk = 0.0025000 k( 89) = ( 0.3255814 0.5000000 0.0000000), wk = 0.0025000 k( 90) = ( 0.3139535 0.5000000 0.0000000), wk = 0.0025000 k( 91) = ( 0.3023256 0.5000000 0.0000000), wk = 0.0025000 k( 92) = ( 0.2906977 0.5000000 -0.0000000), wk = 0.0025000 k( 93) = ( 0.2790698 0.5000000 0.0000000), wk = 0.0025000 k( 94) = ( 0.2674419 0.5000000 0.0000000), wk = 0.0025000 k( 95) = ( 0.2558140 0.5000000 0.0000000), wk = 0.0025000 k( 96) = ( 0.2441860 0.5000000 0.0000000), wk = 0.0025000 k( 97) = ( 0.2325581 0.5000000 0.0000000), wk = 0.0025000 k( 98) = ( 0.2209302 0.5000000 0.0000000), wk = 0.0025000 k( 99) = ( 0.2093023 0.5000000 0.0000000), wk = 0.0025000 k( 100) = ( 0.1976744 0.5000000 -0.0000000), wk = 0.0025000 k( 101) = ( 0.1860465 0.5000000 0.0000000), wk = 0.0025000 k( 102) = ( 0.1744186 0.5000000 0.0000000), wk = 0.0025000 k( 103) = ( 0.1627907 0.5000000 0.0000000), wk = 0.0025000 k( 104) = ( 0.1511628 0.5000000 -0.0000000), wk = 0.0025000 k( 105) = ( 0.1395349 0.5000000 -0.0000000), wk = 0.0025000 k( 106) = ( 0.1279070 0.5000000 0.0000000), wk = 0.0025000 k( 107) = ( 0.1162791 0.5000000 0.0000000), wk = 0.0025000 k( 108) = ( 0.1046512 0.5000000 0.0000000), wk = 0.0025000 k( 109) = ( 0.0930233 0.5000000 -0.0000000), wk = 0.0025000 k( 110) = ( 0.0813954 0.5000000 -0.0000000), wk = 0.0025000 k( 111) = ( 0.0697674 0.5000000 0.0000000), wk = 0.0025000 k( 112) = ( 0.0581395 0.5000000 0.0000000), wk = 0.0025000 k( 113) = ( 0.0465116 0.5000000 0.0000000), wk = 0.0025000 k( 114) = ( 0.0348837 0.5000000 -0.0000000), wk = 0.0025000 k( 115) = ( 0.0232558 0.5000000 -0.0000000), wk = 0.0025000 k( 116) = ( 0.0116279 0.5000000 -0.0000000), wk = 0.0025000 k( 117) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0025000 k( 118) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0025000 k( 119) = ( 0.0000000 0.4821429 0.0000000), wk = 0.0025000 k( 120) = ( 0.0000000 0.4642857 0.0000000), wk = 0.0025000 k( 121) = ( 0.0000000 0.4464286 -0.0000000), wk = 0.0025000 k( 122) = ( 0.0000000 0.4285714 -0.0000000), wk = 0.0025000 k( 123) = ( 0.0000000 0.4107143 -0.0000000), wk = 0.0025000 k( 124) = ( 0.0000000 0.3928571 -0.0000000), wk = 0.0025000 k( 125) = ( 0.0000000 0.3750000 -0.0000000), wk = 0.0025000 k( 126) = ( 0.0000000 0.3571429 -0.0000000), wk = 0.0025000 k( 127) = ( 0.0000000 0.3392857 -0.0000000), wk = 0.0025000 k( 128) = ( 0.0000000 0.3214286 -0.0000000), wk = 0.0025000 k( 129) = ( 0.0000000 0.3035714 -0.0000000), wk = 0.0025000 k( 130) = ( 0.0000000 0.2857143 -0.0000000), wk = 0.0025000 k( 131) = ( 0.0000000 0.2678571 0.0000000), wk = 0.0025000 k( 132) = ( 0.0000000 0.2500000 -0.0000000), wk = 0.0025000 k( 133) = ( 0.0000000 0.2321429 -0.0000000), wk = 0.0025000 k( 134) = ( 0.0000000 0.2142857 -0.0000000), wk = 0.0025000 k( 135) = ( 0.0000000 0.1964286 -0.0000000), wk = 0.0025000 k( 136) = ( 0.0000000 0.1785714 -0.0000000), wk = 0.0025000 k( 137) = ( 0.0000000 0.1607143 0.0000000), wk = 0.0025000 k( 138) = ( 0.0000000 0.1428571 0.0000000), wk = 0.0025000 k( 139) = ( 0.0000000 0.1250000 -0.0000000), wk = 0.0025000 k( 140) = ( 0.0000000 0.1071429 -0.0000000), wk = 0.0025000 k( 141) = ( 0.0000000 0.0892857 0.0000000), wk = 0.0025000 k( 142) = ( 0.0000000 0.0714286 0.0000000), wk = 0.0025000 k( 143) = ( 0.0000000 0.0535714 -0.0000000), wk = 0.0025000 k( 144) = ( 0.0000000 0.0357143 0.0000000), wk = 0.0025000 k( 145) = ( 0.0000000 0.0178571 -0.0000000), wk = 0.0025000 k( 146) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025000 k( 147) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025000 k( 148) = ( 0.0000000 0.0000000 0.0192308), wk = 0.0025000 k( 149) = ( 0.0000000 0.0000000 0.0384615), wk = 0.0025000 k( 150) = ( 0.0000000 0.0000000 0.0576923), wk = 0.0025000 k( 151) = ( 0.0000000 0.0000000 0.0769231), wk = 0.0025000 k( 152) = ( 0.0000000 0.0000000 0.0961538), wk = 0.0025000 k( 153) = ( 0.0000000 0.0000000 0.1153846), wk = 0.0025000 k( 154) = ( 0.0000000 0.0000000 0.1346154), wk = 0.0025000 k( 155) = ( 0.0000000 0.0000000 0.1538461), wk = 0.0025000 k( 156) = ( 0.0000000 0.0000000 0.1730769), wk = 0.0025000 k( 157) = ( 0.0000000 0.0000000 0.1923077), wk = 0.0025000 k( 158) = ( 0.0000000 0.0000000 0.2115385), wk = 0.0025000 k( 159) = ( 0.0000000 0.0000000 0.2307692), wk = 0.0025000 k( 160) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0025000 k( 161) = ( 0.0000000 0.0000000 0.2692308), wk = 0.0025000 k( 162) = ( 0.0000000 0.0000000 0.2884615), wk = 0.0025000 k( 163) = ( 0.0000000 0.0000000 0.3076923), wk = 0.0025000 k( 164) = ( 0.0000000 0.0000000 0.3269231), wk = 0.0025000 k( 165) = ( 0.0000000 0.0000000 0.3461538), wk = 0.0025000 k( 166) = ( 0.0000000 0.0000000 0.3653846), wk = 0.0025000 k( 167) = ( 0.0000000 0.0000000 0.3846154), wk = 0.0025000 k( 168) = ( 0.0000000 0.0000000 0.4038462), wk = 0.0025000 k( 169) = ( 0.0000000 0.0000000 0.4230769), wk = 0.0025000 k( 170) = ( 0.0000000 0.0000000 0.4423077), wk = 0.0025000 k( 171) = ( 0.0000000 0.0000000 0.4615385), wk = 0.0025000 k( 172) = ( 0.0000000 0.0000000 0.4807692), wk = 0.0025000 k( 173) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0025000 k( 174) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0025000 k( 175) = ( 0.0116279 -0.0000000 0.5000000), wk = 0.0025000 k( 176) = ( 0.0232558 -0.0000000 0.5000000), wk = 0.0025000 k( 177) = ( 0.0348837 0.0000000 0.5000000), wk = 0.0025000 k( 178) = ( 0.0465116 -0.0000000 0.5000000), wk = 0.0025000 k( 179) = ( 0.0581395 0.0000000 0.5000000), wk = 0.0025000 k( 180) = ( 0.0697674 0.0000000 0.5000000), wk = 0.0025000 k( 181) = ( 0.0813954 0.0000000 0.5000000), wk = 0.0025000 k( 182) = ( 0.0930233 -0.0000000 0.5000000), wk = 0.0025000 k( 183) = ( 0.1046512 -0.0000000 0.5000000), wk = 0.0025000 k( 184) = ( 0.1162791 0.0000000 0.5000000), wk = 0.0025000 k( 185) = ( 0.1279070 0.0000000 0.5000000), wk = 0.0025000 k( 186) = ( 0.1395349 0.0000000 0.5000000), wk = 0.0025000 k( 187) = ( 0.1511628 0.0000000 0.5000000), wk = 0.0025000 k( 188) = ( 0.1627907 0.0000000 0.5000000), wk = 0.0025000 k( 189) = ( 0.1744186 0.0000000 0.5000000), wk = 0.0025000 k( 190) = ( 0.1860465 0.0000000 0.5000000), wk = 0.0025000 k( 191) = ( 0.1976744 -0.0000000 0.5000000), wk = 0.0025000 k( 192) = ( 0.2093023 0.0000000 0.5000000), wk = 0.0025000 k( 193) = ( 0.2209302 0.0000000 0.5000000), wk = 0.0025000 k( 194) = ( 0.2325581 0.0000000 0.5000000), wk = 0.0025000 k( 195) = ( 0.2441860 0.0000000 0.5000000), wk = 0.0025000 k( 196) = ( 0.2558140 0.0000000 0.5000000), wk = 0.0025000 k( 197) = ( 0.2674419 -0.0000000 0.5000000), wk = 0.0025000 k( 198) = ( 0.2790698 0.0000000 0.5000000), wk = 0.0025000 k( 199) = ( 0.2906977 0.0000000 0.5000000), wk = 0.0025000 k( 200) = ( 0.3023256 0.0000000 0.5000000), wk = 0.0025000 k( 201) = ( 0.3139535 -0.0000000 0.5000000), wk = 0.0025000 k( 202) = ( 0.3255814 0.0000000 0.5000000), wk = 0.0025000 k( 203) = ( 0.3372093 0.0000000 0.5000000), wk = 0.0025000 k( 204) = ( 0.3488372 0.0000000 0.5000000), wk = 0.0025000 k( 205) = ( 0.3604651 -0.0000000 0.5000000), wk = 0.0025000 k( 206) = ( 0.3720930 0.0000000 0.5000000), wk = 0.0025000 k( 207) = ( 0.3837209 0.0000000 0.5000000), wk = 0.0025000 k( 208) = ( 0.3953488 -0.0000000 0.5000000), wk = 0.0025000 k( 209) = ( 0.4069767 0.0000000 0.5000000), wk = 0.0025000 k( 210) = ( 0.4186047 0.0000000 0.5000000), wk = 0.0025000 k( 211) = ( 0.4302326 0.0000000 0.5000000), wk = 0.0025000 k( 212) = ( 0.4418605 0.0000000 0.5000000), wk = 0.0025000 k( 213) = ( 0.4534884 0.0000000 0.5000000), wk = 0.0025000 k( 214) = ( 0.4651163 0.0000000 0.5000000), wk = 0.0025000 k( 215) = ( 0.4767442 0.0000000 0.5000000), wk = 0.0025000 k( 216) = ( 0.4883721 0.0000000 0.5000000), wk = 0.0025000 k( 217) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0025000 k( 218) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0025000 k( 219) = ( 0.5000000 0.0178571 0.5000000), wk = 0.0025000 k( 220) = ( 0.5000000 0.0357143 0.5000000), wk = 0.0025000 k( 221) = ( 0.5000000 0.0535714 0.5000000), wk = 0.0025000 k( 222) = ( 0.5000000 0.0714286 0.5000000), wk = 0.0025000 k( 223) = ( 0.5000000 0.0892857 0.5000000), wk = 0.0025000 k( 224) = ( 0.5000000 0.1071429 0.5000000), wk = 0.0025000 k( 225) = ( 0.5000000 0.1250000 0.5000000), wk = 0.0025000 k( 226) = ( 0.5000000 0.1428571 0.5000000), wk = 0.0025000 k( 227) = ( 0.5000000 0.1607143 0.5000000), wk = 0.0025000 k( 228) = ( 0.5000000 0.1785714 0.5000000), wk = 0.0025000 k( 229) = ( 0.5000000 0.1964286 0.5000000), wk = 0.0025000 k( 230) = ( 0.5000000 0.2142857 0.5000000), wk = 0.0025000 k( 231) = ( 0.5000000 0.2321429 0.5000000), wk = 0.0025000 k( 232) = ( 0.5000000 0.2500000 0.5000000), wk = 0.0025000 k( 233) = ( 0.5000000 0.2678571 0.5000000), wk = 0.0025000 k( 234) = ( 0.5000000 0.2857143 0.5000000), wk = 0.0025000 k( 235) = ( 0.5000000 0.3035714 0.5000000), wk = 0.0025000 k( 236) = ( 0.5000000 0.3214286 0.5000000), wk = 0.0025000 k( 237) = ( 0.5000000 0.3392857 0.5000000), wk = 0.0025000 k( 238) = ( 0.5000000 0.3571429 0.5000000), wk = 0.0025000 k( 239) = ( 0.5000000 0.3750000 0.5000000), wk = 0.0025000 k( 240) = ( 0.5000000 0.3928571 0.5000000), wk = 0.0025000 k( 241) = ( 0.5000000 0.4107143 0.5000000), wk = 0.0025000 k( 242) = ( 0.5000000 0.4285714 0.5000000), wk = 0.0025000 k( 243) = ( 0.5000000 0.4464286 0.5000000), wk = 0.0025000 k( 244) = ( 0.5000000 0.4642857 0.5000000), wk = 0.0025000 k( 245) = ( 0.5000000 0.4821429 0.5000000), wk = 0.0025000 k( 246) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0025000 k( 247) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0025000 k( 248) = ( 0.4883721 0.5000000 0.5000000), wk = 0.0025000 k( 249) = ( 0.4767442 0.5000000 0.5000000), wk = 0.0025000 k( 250) = ( 0.4651163 0.5000000 0.5000000), wk = 0.0025000 k( 251) = ( 0.4534884 0.5000000 0.5000000), wk = 0.0025000 k( 252) = ( 0.4418605 0.5000000 0.5000000), wk = 0.0025000 k( 253) = ( 0.4302326 0.5000000 0.5000000), wk = 0.0025000 k( 254) = ( 0.4186047 0.5000000 0.5000000), wk = 0.0025000 k( 255) = ( 0.4069767 0.5000000 0.5000000), wk = 0.0025000 k( 256) = ( 0.3953488 0.5000000 0.5000000), wk = 0.0025000 k( 257) = ( 0.3837209 0.5000000 0.5000000), wk = 0.0025000 k( 258) = ( 0.3720930 0.5000000 0.5000000), wk = 0.0025000 k( 259) = ( 0.3604651 0.5000000 0.5000000), wk = 0.0025000 k( 260) = ( 0.3488372 0.5000000 0.5000000), wk = 0.0025000 k( 261) = ( 0.3372093 0.5000000 0.5000000), wk = 0.0025000 k( 262) = ( 0.3255814 0.5000000 0.5000000), wk = 0.0025000 k( 263) = ( 0.3139535 0.5000000 0.5000000), wk = 0.0025000 k( 264) = ( 0.3023256 0.5000000 0.5000000), wk = 0.0025000 k( 265) = ( 0.2906977 0.5000000 0.5000000), wk = 0.0025000 k( 266) = ( 0.2790698 0.5000000 0.5000000), wk = 0.0025000 k( 267) = ( 0.2674419 0.5000000 0.5000000), wk = 0.0025000 k( 268) = ( 0.2558140 0.5000000 0.5000000), wk = 0.0025000 k( 269) = ( 0.2441860 0.5000000 0.5000000), wk = 0.0025000 k( 270) = ( 0.2325581 0.5000000 0.5000000), wk = 0.0025000 k( 271) = ( 0.2209302 0.5000000 0.5000000), wk = 0.0025000 k( 272) = ( 0.2093023 0.5000000 0.5000000), wk = 0.0025000 k( 273) = ( 0.1976744 0.5000000 0.5000000), wk = 0.0025000 k( 274) = ( 0.1860465 0.5000000 0.5000000), wk = 0.0025000 k( 275) = ( 0.1744186 0.5000000 0.5000000), wk = 0.0025000 k( 276) = ( 0.1627907 0.5000000 0.5000000), wk = 0.0025000 k( 277) = ( 0.1511628 0.5000000 0.5000000), wk = 0.0025000 k( 278) = ( 0.1395349 0.5000000 0.5000000), wk = 0.0025000 k( 279) = ( 0.1279070 0.5000000 0.5000000), wk = 0.0025000 k( 280) = ( 0.1162791 0.5000000 0.5000000), wk = 0.0025000 k( 281) = ( 0.1046512 0.5000000 0.5000000), wk = 0.0025000 k( 282) = ( 0.0930233 0.5000000 0.5000000), wk = 0.0025000 k( 283) = ( 0.0813954 0.5000000 0.5000000), wk = 0.0025000 k( 284) = ( 0.0697674 0.5000000 0.5000000), wk = 0.0025000 k( 285) = ( 0.0581395 0.5000000 0.5000000), wk = 0.0025000 k( 286) = ( 0.0465116 0.5000000 0.5000000), wk = 0.0025000 k( 287) = ( 0.0348837 0.5000000 0.5000000), wk = 0.0025000 k( 288) = ( 0.0232558 0.5000000 0.5000000), wk = 0.0025000 k( 289) = ( 0.0116279 0.5000000 0.5000000), wk = 0.0025000 k( 290) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0025000 k( 291) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0025000 k( 292) = ( 0.0000000 0.4821429 0.5000000), wk = 0.0025000 k( 293) = ( 0.0000000 0.4642857 0.5000000), wk = 0.0025000 k( 294) = ( 0.0000000 0.4464286 0.5000000), wk = 0.0025000 k( 295) = ( 0.0000000 0.4285714 0.5000000), wk = 0.0025000 k( 296) = ( 0.0000000 0.4107143 0.5000000), wk = 0.0025000 k( 297) = ( 0.0000000 0.3928571 0.5000000), wk = 0.0025000 k( 298) = ( 0.0000000 0.3750000 0.5000000), wk = 0.0025000 k( 299) = ( 0.0000000 0.3571429 0.5000000), wk = 0.0025000 k( 300) = ( 0.0000000 0.3392857 0.5000000), wk = 0.0025000 k( 301) = ( 0.0000000 0.3214286 0.5000000), wk = 0.0025000 k( 302) = ( 0.0000000 0.3035714 0.5000000), wk = 0.0025000 k( 303) = ( 0.0000000 0.2857143 0.5000000), wk = 0.0025000 k( 304) = ( 0.0000000 0.2678571 0.5000000), wk = 0.0025000 k( 305) = ( 0.0000000 0.2500000 0.5000000), wk = 0.0025000 k( 306) = ( 0.0000000 0.2321429 0.5000000), wk = 0.0025000 k( 307) = ( 0.0000000 0.2142857 0.5000000), wk = 0.0025000 k( 308) = ( 0.0000000 0.1964286 0.5000000), wk = 0.0025000 k( 309) = ( 0.0000000 0.1785714 0.5000000), wk = 0.0025000 k( 310) = ( 0.0000000 0.1607143 0.5000000), wk = 0.0025000 k( 311) = ( 0.0000000 0.1428571 0.5000000), wk = 0.0025000 k( 312) = ( 0.0000000 0.1250000 0.5000000), wk = 0.0025000 k( 313) = ( 0.0000000 0.1071429 0.5000000), wk = 0.0025000 k( 314) = ( 0.0000000 0.0892857 0.5000000), wk = 0.0025000 k( 315) = ( 0.0000000 0.0714286 0.5000000), wk = 0.0025000 k( 316) = ( 0.0000000 0.0535714 0.5000000), wk = 0.0025000 k( 317) = ( 0.0000000 0.0357143 0.5000000), wk = 0.0025000 k( 318) = ( 0.0000000 0.0178571 0.5000000), wk = 0.0025000 k( 319) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0025000 k( 320) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0025000 k( 321) = ( 0.0000000 0.5000000 0.0192308), wk = 0.0025000 k( 322) = ( 0.0000000 0.5000000 0.0384615), wk = 0.0025000 k( 323) = ( 0.0000000 0.5000000 0.0576923), wk = 0.0025000 k( 324) = ( 0.0000000 0.5000000 0.0769231), wk = 0.0025000 k( 325) = ( 0.0000000 0.5000000 0.0961538), wk = 0.0025000 k( 326) = ( 0.0000000 0.5000000 0.1153846), wk = 0.0025000 k( 327) = ( 0.0000000 0.5000000 0.1346154), wk = 0.0025000 k( 328) = ( 0.0000000 0.5000000 0.1538461), wk = 0.0025000 k( 329) = ( 0.0000000 0.5000000 0.1730769), wk = 0.0025000 k( 330) = ( 0.0000000 0.5000000 0.1923077), wk = 0.0025000 k( 331) = ( 0.0000000 0.5000000 0.2115385), wk = 0.0025000 k( 332) = ( 0.0000000 0.5000000 0.2307692), wk = 0.0025000 k( 333) = ( 0.0000000 0.5000000 0.2500000), wk = 0.0025000 k( 334) = ( 0.0000000 0.5000000 0.2692308), wk = 0.0025000 k( 335) = ( 0.0000000 0.5000000 0.2884615), wk = 0.0025000 k( 336) = ( 0.0000000 0.5000000 0.3076923), wk = 0.0025000 k( 337) = ( 0.0000000 0.5000000 0.3269231), wk = 0.0025000 k( 338) = ( 0.0000000 0.5000000 0.3461538), wk = 0.0025000 k( 339) = ( 0.0000000 0.5000000 0.3653846), wk = 0.0025000 k( 340) = ( 0.0000000 0.5000000 0.3846154), wk = 0.0025000 k( 341) = ( 0.0000000 0.5000000 0.4038462), wk = 0.0025000 k( 342) = ( 0.0000000 0.5000000 0.4230769), wk = 0.0025000 k( 343) = ( 0.0000000 0.5000000 0.4423077), wk = 0.0025000 k( 344) = ( 0.0000000 0.5000000 0.4615385), wk = 0.0025000 k( 345) = ( 0.0000000 0.5000000 0.4807692), wk = 0.0025000 k( 346) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0025000 k( 347) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0025000 k( 348) = ( 0.5000000 0.0000000 0.4807692), wk = 0.0025000 k( 349) = ( 0.5000000 0.0000000 0.4615385), wk = 0.0025000 k( 350) = ( 0.5000000 0.0000000 0.4423077), wk = 0.0025000 k( 351) = ( 0.5000000 0.0000000 0.4230769), wk = 0.0025000 k( 352) = ( 0.5000000 0.0000000 0.4038462), wk = 0.0025000 k( 353) = ( 0.5000000 0.0000000 0.3846154), wk = 0.0025000 k( 354) = ( 0.5000000 0.0000000 0.3653846), wk = 0.0025000 k( 355) = ( 0.5000000 0.0000000 0.3461538), wk = 0.0025000 k( 356) = ( 0.5000000 0.0000000 0.3269231), wk = 0.0025000 k( 357) = ( 0.5000000 0.0000000 0.3076923), wk = 0.0025000 k( 358) = ( 0.5000000 0.0000000 0.2884615), wk = 0.0025000 k( 359) = ( 0.5000000 0.0000000 0.2692308), wk = 0.0025000 k( 360) = ( 0.5000000 0.0000000 0.2500000), wk = 0.0025000 k( 361) = ( 0.5000000 0.0000000 0.2307692), wk = 0.0025000 k( 362) = ( 0.5000000 0.0000000 0.2115385), wk = 0.0025000 k( 363) = ( 0.5000000 0.0000000 0.1923077), wk = 0.0025000 k( 364) = ( 0.5000000 0.0000000 0.1730769), wk = 0.0025000 k( 365) = ( 0.5000000 0.0000000 0.1538461), wk = 0.0025000 k( 366) = ( 0.5000000 0.0000000 0.1346154), wk = 0.0025000 k( 367) = ( 0.5000000 0.0000000 0.1153846), wk = 0.0025000 k( 368) = ( 0.5000000 0.0000000 0.0961538), wk = 0.0025000 k( 369) = ( 0.5000000 0.0000000 0.0769231), wk = 0.0025000 k( 370) = ( 0.5000000 0.0000000 0.0576923), wk = 0.0025000 k( 371) = ( 0.5000000 0.0000000 0.0384615), wk = 0.0025000 k( 372) = ( 0.5000000 0.0000000 0.0192308), wk = 0.0025000 k( 373) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0025000 k( 374) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0025000 k( 375) = ( 0.5000000 0.5000000 0.0192308), wk = 0.0025000 k( 376) = ( 0.5000000 0.5000000 0.0384615), wk = 0.0025000 k( 377) = ( 0.5000000 0.5000000 0.0576923), wk = 0.0025000 k( 378) = ( 0.5000000 0.5000000 0.0769231), wk = 0.0025000 k( 379) = ( 0.5000000 0.5000000 0.0961538), wk = 0.0025000 k( 380) = ( 0.5000000 0.5000000 0.1153846), wk = 0.0025000 k( 381) = ( 0.5000000 0.5000000 0.1346154), wk = 0.0025000 k( 382) = ( 0.5000000 0.5000000 0.1538461), wk = 0.0025000 k( 383) = ( 0.5000000 0.5000000 0.1730769), wk = 0.0025000 k( 384) = ( 0.5000000 0.5000000 0.1923077), wk = 0.0025000 k( 385) = ( 0.5000000 0.5000000 0.2115385), wk = 0.0025000 k( 386) = ( 0.5000000 0.5000000 0.2307692), wk = 0.0025000 k( 387) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0025000 k( 388) = ( 0.5000000 0.5000000 0.2692308), wk = 0.0025000 k( 389) = ( 0.5000000 0.5000000 0.2884615), wk = 0.0025000 k( 390) = ( 0.5000000 0.5000000 0.3076923), wk = 0.0025000 k( 391) = ( 0.5000000 0.5000000 0.3269231), wk = 0.0025000 k( 392) = ( 0.5000000 0.5000000 0.3461538), wk = 0.0025000 k( 393) = ( 0.5000000 0.5000000 0.3653846), wk = 0.0025000 k( 394) = ( 0.5000000 0.5000000 0.3846154), wk = 0.0025000 k( 395) = ( 0.5000000 0.5000000 0.4038462), wk = 0.0025000 k( 396) = ( 0.5000000 0.5000000 0.4230769), wk = 0.0025000 k( 397) = ( 0.5000000 0.5000000 0.4423077), wk = 0.0025000 k( 398) = ( 0.5000000 0.5000000 0.4615385), wk = 0.0025000 k( 399) = ( 0.5000000 0.5000000 0.4807692), wk = 0.0025000 k( 400) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0025000 Dense grid: 132645 G-vectors FFT dimensions: ( 48, 72, 80) Smooth grid: 30931 G-vectors FFT dimensions: ( 30, 45, 48) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.24 Mb ( 236, 68) NL pseudopotentials 0.35 Mb ( 118, 192) Each V/rho on FFT grid 0.16 Mb ( 10368) Each G-vector array 0.03 Mb ( 3684) G-vector shells 0.01 Mb ( 1849) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.98 Mb ( 236, 272) Each subspace H/S matrix 0.07 Mb ( 68, 68) Each matrix 0.40 Mb ( 192, 2, 68) The potential is recalculated from file : ./GePt.save/charge-density.dat Starting wfc are 104 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 5.8 secs Computing kpt #: 2 total cpu time spent up to now is 6.8 secs Computing kpt #: 3 total cpu time spent up to now is 7.7 secs Computing kpt #: 4 total cpu time spent up to now is 8.6 secs Computing kpt #: 5 total cpu time spent up to now is 9.6 secs Computing kpt #: 6 total cpu time spent up to now is 10.5 secs Computing kpt #: 7 total cpu time spent up to now is 11.5 secs Computing kpt #: 8 total cpu time spent up to now is 12.5 secs Computing kpt #: 9 total cpu time spent up to now is 13.4 secs Computing kpt #: 10 total cpu time spent up to now is 14.3 secs Computing kpt #: 11 total cpu time spent up to now is 15.2 secs Computing kpt #: 12 total cpu time spent up to now is 16.1 secs Computing kpt #: 13 total cpu time spent up to now is 17.0 secs Computing kpt #: 14 total cpu time spent up to now is 17.9 secs Computing kpt #: 15 total cpu time spent up to now is 18.8 secs Computing kpt #: 16 total cpu time spent up to now is 19.7 secs Computing kpt #: 17 total cpu time spent up to now is 20.6 secs Computing kpt #: 18 total cpu time spent up to now is 21.5 secs Computing kpt #: 19 total cpu time spent up to now is 22.3 secs Computing kpt #: 20 total cpu time spent up to now is 23.1 secs Computing kpt #: 21 total cpu time spent up to now is 23.8 secs Computing kpt #: 22 total cpu time spent up to now is 24.5 secs Computing kpt #: 23 total cpu time spent up to now is 25.3 secs Computing kpt #: 24 total cpu time spent up to now is 26.0 secs Computing kpt #: 25 total cpu time spent up to now is 26.7 secs Computing kpt #: 26 total cpu time spent up to now is 27.4 secs Computing kpt #: 27 total cpu time spent up to now is 28.1 secs Computing kpt #: 28 total cpu time spent up to now is 28.9 secs Computing kpt #: 29 total cpu time spent up to now is 29.6 secs Computing kpt #: 30 total cpu time spent up to now is 30.4 secs Computing kpt #: 31 total cpu time spent up to now is 31.1 secs Computing kpt #: 32 total cpu time spent up to now is 31.9 secs Computing kpt #: 33 total cpu time spent up to now is 32.7 secs Computing kpt #: 34 total cpu time spent up to now is 33.4 secs Computing kpt #: 35 total cpu time spent up to now is 34.2 secs Computing kpt #: 36 total cpu time spent up to now is 35.0 secs Computing kpt #: 37 total cpu time spent up to now is 35.8 secs Computing kpt #: 38 total cpu time spent up to now is 36.6 secs Computing kpt #: 39 total cpu time spent up to now is 37.5 secs Computing kpt #: 40 total cpu time spent up to now is 38.3 secs Computing kpt #: 41 total cpu time spent up to now is 39.1 secs Computing kpt #: 42 total cpu time spent up to now is 40.0 secs Computing kpt #: 43 total cpu time spent up to now is 40.9 secs Computing kpt #: 44 total cpu time spent up to now is 41.7 secs Computing kpt #: 45 total cpu time spent up to now is 42.5 secs Computing kpt #: 46 total cpu time spent up to now is 43.4 secs Computing kpt #: 47 total cpu time spent up to now is 44.2 secs Computing kpt #: 48 total cpu time spent up to now is 45.0 secs Computing kpt #: 49 total cpu time spent up to now is 45.8 secs Computing kpt #: 50 total cpu time spent up to now is 46.6 secs Computing kpt #: 51 total cpu time spent up to now is 47.4 secs Computing kpt #: 52 total cpu time spent up to now is 48.2 secs Computing kpt #: 53 total cpu time spent up to now is 48.9 secs Computing kpt #: 54 total cpu time spent up to now is 49.7 secs Computing kpt #: 55 total cpu time spent up to now is 50.4 secs Computing kpt #: 56 total cpu time spent up to now is 51.1 secs Computing kpt #: 57 total cpu time spent up to now is 51.9 secs Computing kpt #: 58 total cpu time spent up to now is 52.6 secs Computing kpt #: 59 total cpu time spent up to now is 53.3 secs Computing kpt #: 60 total cpu time spent up to now is 54.0 secs Computing kpt #: 61 total cpu time spent up to now is 54.7 secs Computing kpt #: 62 total cpu time spent up to now is 55.4 secs Computing kpt #: 63 total cpu time spent up to now is 56.1 secs Computing kpt #: 64 total cpu time spent up to now is 56.8 secs Computing kpt #: 65 total cpu time spent up to now is 57.5 secs Computing kpt #: 66 total cpu time spent up to now is 58.2 secs Computing kpt #: 67 total cpu time spent up to now is 58.9 secs Computing kpt #: 68 total cpu time spent up to now is 59.6 secs Computing kpt #: 69 total cpu time spent up to now is 60.4 secs Computing kpt #: 70 total cpu time spent up to now is 61.3 secs Computing kpt #: 71 total cpu time spent up to now is 62.1 secs Computing kpt #: 72 total cpu time spent up to now is 63.0 secs Computing kpt #: 73 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 65.2 secs Computing kpt #: 74 total cpu time spent up to now is 66.5 secs Computing kpt #: 75 total cpu time spent up to now is 67.5 secs Computing kpt #: 76 total cpu time spent up to now is 68.3 secs Computing kpt #: 77 total cpu time spent up to now is 69.2 secs Computing kpt #: 78 total cpu time spent up to now is 70.0 secs Computing kpt #: 79 total cpu time spent up to now is 70.8 secs Computing kpt #: 80 total cpu time spent up to now is 71.6 secs Computing kpt #: 81 total cpu time spent up to now is 72.3 secs Computing kpt #: 82 total cpu time spent up to now is 73.1 secs Computing kpt #: 83 total cpu time spent up to now is 73.8 secs Computing kpt #: 84 total cpu time spent up to now is 74.5 secs Computing kpt #: 85 total cpu time spent up to now is 75.3 secs Computing kpt #: 86 total cpu time spent up to now is 76.0 secs Computing kpt #: 87 total cpu time spent up to now is 76.8 secs Computing kpt #: 88 total cpu time spent up to now is 77.6 secs Computing kpt #: 89 total cpu time spent up to now is 78.3 secs Computing kpt #: 90 total cpu time spent up to now is 79.1 secs Computing kpt #: 91 total cpu time spent up to now is 79.8 secs Computing kpt #: 92 total cpu time spent up to now is 80.6 secs Computing kpt #: 93 total cpu time spent up to now is 81.4 secs Computing kpt #: 94 total cpu time spent up to now is 82.1 secs Computing kpt #: 95 total cpu time spent up to now is 83.0 secs Computing kpt #: 96 total cpu time spent up to now is 83.8 secs Computing kpt #: 97 total cpu time spent up to now is 84.6 secs Computing kpt #: 98 total cpu time spent up to now is 85.4 secs Computing kpt #: 99 total cpu time spent up to now is 86.2 secs Computing kpt #: 100 total cpu time spent up to now is 86.9 secs Computing kpt #: 101 total cpu time spent up to now is 87.7 secs Computing kpt #: 102 total cpu time spent up to now is 88.5 secs Computing kpt #: 103 total cpu time spent up to now is 89.3 secs Computing kpt #: 104 total cpu time spent up to now is 90.1 secs Computing kpt #: 105 total cpu time spent up to now is 90.9 secs Computing kpt #: 106 total cpu time spent up to now is 91.7 secs Computing kpt #: 107 total cpu time spent up to now is 92.5 secs Computing kpt #: 108 total cpu time spent up to now is 93.4 secs Computing kpt #: 109 total cpu time spent up to now is 94.2 secs Computing kpt #: 110 total cpu time spent up to now is 95.0 secs Computing kpt #: 111 total cpu time spent up to now is 95.9 secs Computing kpt #: 112 total cpu time spent up to now is 96.8 secs Computing kpt #: 113 total cpu time spent up to now is 97.7 secs Computing kpt #: 114 total cpu time spent up to now is 98.7 secs Computing kpt #: 115 total cpu time spent up to now is 99.6 secs Computing kpt #: 116 total cpu time spent up to now is 100.6 secs Computing kpt #: 117 total cpu time spent up to now is 101.6 secs Computing kpt #: 118 total cpu time spent up to now is 102.6 secs Computing kpt #: 119 total cpu time spent up to now is 103.5 secs Computing kpt #: 120 total cpu time spent up to now is 104.5 secs Computing kpt #: 121 total cpu time spent up to now is 105.3 secs Computing kpt #: 122 total cpu time spent up to now is 106.1 secs Computing kpt #: 123 total cpu time spent up to now is 106.9 secs Computing kpt #: 124 total cpu time spent up to now is 107.7 secs Computing kpt #: 125 total cpu time spent up to now is 108.5 secs Computing kpt #: 126 total cpu time spent up to now is 109.3 secs Computing kpt #: 127 total cpu time spent up to now is 110.1 secs Computing kpt #: 128 total cpu time spent up to now is 110.8 secs Computing kpt #: 129 total cpu time spent up to now is 111.6 secs Computing kpt #: 130 total cpu time spent up to now is 112.4 secs Computing kpt #: 131 total cpu time spent up to now is 113.2 secs Computing kpt #: 132 total cpu time spent up to now is 114.0 secs Computing kpt #: 133 total cpu time spent up to now is 114.9 secs Computing kpt #: 134 total cpu time spent up to now is 115.7 secs Computing kpt #: 135 total cpu time spent up to now is 116.5 secs Computing kpt #: 136 total cpu time spent up to now is 117.3 secs Computing kpt #: 137 total cpu time spent up to now is 118.2 secs Computing kpt #: 138 total cpu time spent up to now is 119.1 secs Computing kpt #: 139 total cpu time spent up to now is 120.0 secs Computing kpt #: 140 total cpu time spent up to now is 120.8 secs Computing kpt #: 141 total cpu time spent up to now is 121.7 secs Computing kpt #: 142 total cpu time spent up to now is 122.6 secs Computing kpt #: 143 total cpu time spent up to now is 123.5 secs Computing kpt #: 144 total cpu time spent up to now is 124.5 secs Computing kpt #: 145 total cpu time spent up to now is 125.4 secs Computing kpt #: 146 total cpu time spent up to now is 126.3 secs Computing kpt #: 147 total cpu time spent up to now is 127.2 secs Computing kpt #: 148 total cpu time spent up to now is 128.1 secs Computing kpt #: 149 total cpu time spent up to now is 129.0 secs Computing kpt #: 150 total cpu time spent up to now is 129.9 secs Computing kpt #: 151 total cpu time spent up to now is 130.8 secs Computing kpt #: 152 total cpu time spent up to now is 131.8 secs Computing kpt #: 153 total cpu time spent up to now is 133.4 secs Computing kpt #: 154 total cpu time spent up to now is 134.3 secs Computing kpt #: 155 total cpu time spent up to now is 135.3 secs Computing kpt #: 156 total cpu time spent up to now is 136.2 secs Computing kpt #: 157 total cpu time spent up to now is 137.1 secs Computing kpt #: 158 total cpu time spent up to now is 138.0 secs Computing kpt #: 159 total cpu time spent up to now is 138.9 secs Computing kpt #: 160 total cpu time spent up to now is 139.8 secs Computing kpt #: 161 total cpu time spent up to now is 140.7 secs Computing kpt #: 162 total cpu time spent up to now is 141.6 secs Computing kpt #: 163 total cpu time spent up to now is 142.5 secs Computing kpt #: 164 total cpu time spent up to now is 143.3 secs Computing kpt #: 165 total cpu time spent up to now is 144.2 secs Computing kpt #: 166 total cpu time spent up to now is 145.1 secs Computing kpt #: 167 total cpu time spent up to now is 146.0 secs Computing kpt #: 168 total cpu time spent up to now is 146.9 secs Computing kpt #: 169 total cpu time spent up to now is 147.8 secs Computing kpt #: 170 total cpu time spent up to now is 148.7 secs Computing kpt #: 171 total cpu time spent up to now is 149.5 secs Computing kpt #: 172 total cpu time spent up to now is 150.4 secs Computing kpt #: 173 total cpu time spent up to now is 151.3 secs Computing kpt #: 174 total cpu time spent up to now is 152.2 secs Computing kpt #: 175 total cpu time spent up to now is 153.1 secs Computing kpt #: 176 total cpu time spent up to now is 154.0 secs Computing kpt #: 177 total cpu time spent up to now is 154.9 secs Computing kpt #: 178 total cpu time spent up to now is 155.8 secs Computing kpt #: 179 total cpu time spent up to now is 156.7 secs Computing kpt #: 180 total cpu time spent up to now is 157.6 secs Computing kpt #: 181 total cpu time spent up to now is 158.5 secs Computing kpt #: 182 total cpu time spent up to now is 159.4 secs Computing kpt #: 183 total cpu time spent up to now is 160.3 secs Computing kpt #: 184 total cpu time spent up to now is 161.2 secs Computing kpt #: 185 total cpu time spent up to now is 162.0 secs Computing kpt #: 186 total cpu time spent up to now is 162.8 secs Computing kpt #: 187 total cpu time spent up to now is 163.6 secs Computing kpt #: 188 total cpu time spent up to now is 164.4 secs Computing kpt #: 189 total cpu time spent up to now is 165.3 secs Computing kpt #: 190 total cpu time spent up to now is 166.1 secs Computing kpt #: 191 total cpu time spent up to now is 166.9 secs Computing kpt #: 192 total cpu time spent up to now is 167.7 secs Computing kpt #: 193 total cpu time spent up to now is 168.5 secs Computing kpt #: 194 total cpu time spent up to now is 169.3 secs Computing kpt #: 195 total cpu time spent up to now is 170.1 secs Computing kpt #: 196 total cpu time spent up to now is 170.9 secs Computing kpt #: 197 total cpu time spent up to now is 171.6 secs Computing kpt #: 198 total cpu time spent up to now is 172.4 secs Computing kpt #: 199 total cpu time spent up to now is 173.1 secs Computing kpt #: 200 total cpu time spent up to now is 173.9 secs Computing kpt #: 201 total cpu time spent up to now is 174.6 secs Computing kpt #: 202 total cpu time spent up to now is 175.3 secs Computing kpt #: 203 total cpu time spent up to now is 176.0 secs Computing kpt #: 204 total cpu time spent up to now is 176.7 secs Computing kpt #: 205 total cpu time spent up to now is 177.4 secs Computing kpt #: 206 total cpu time spent up to now is 178.1 secs Computing kpt #: 207 total cpu time spent up to now is 178.8 secs Computing kpt #: 208 total cpu time spent up to now is 179.5 secs Computing kpt #: 209 total cpu time spent up to now is 180.2 secs Computing kpt #: 210 total cpu time spent up to now is 180.8 secs Computing kpt #: 211 total cpu time spent up to now is 181.5 secs Computing kpt #: 212 total cpu time spent up to now is 182.2 secs Computing kpt #: 213 total cpu time spent up to now is 182.8 secs Computing kpt #: 214 total cpu time spent up to now is 183.5 secs Computing kpt #: 215 total cpu time spent up to now is 184.2 secs Computing kpt #: 216 total cpu time spent up to now is 184.8 secs Computing kpt #: 217 total cpu time spent up to now is 185.5 secs Computing kpt #: 218 total cpu time spent up to now is 186.1 secs Computing kpt #: 219 total cpu time spent up to now is 186.8 secs Computing kpt #: 220 total cpu time spent up to now is 187.4 secs Computing kpt #: 221 total cpu time spent up to now is 188.1 secs Computing kpt #: 222 total cpu time spent up to now is 188.7 secs Computing kpt #: 223 total cpu time spent up to now is 189.4 secs Computing kpt #: 224 total cpu time spent up to now is 190.1 secs Computing kpt #: 225 total cpu time spent up to now is 190.7 secs Computing kpt #: 226 total cpu time spent up to now is 191.4 secs Computing kpt #: 227 total cpu time spent up to now is 192.1 secs Computing kpt #: 228 total cpu time spent up to now is 192.8 secs Computing kpt #: 229 total cpu time spent up to now is 193.4 secs Computing kpt #: 230 total cpu time spent up to now is 194.1 secs Computing kpt #: 231 total cpu time spent up to now is 194.8 secs Computing kpt #: 232 total cpu time spent up to now is 195.6 secs Computing kpt #: 233 total cpu time spent up to now is 196.3 secs Computing kpt #: 234 total cpu time spent up to now is 197.0 secs Computing kpt #: 235 total cpu time spent up to now is 197.8 secs Computing kpt #: 236 total cpu time spent up to now is 198.6 secs Computing kpt #: 237 total cpu time spent up to now is 199.5 secs Computing kpt #: 238 total cpu time spent up to now is 200.4 secs Computing kpt #: 239 total cpu time spent up to now is 201.3 secs Computing kpt #: 240 total cpu time spent up to now is 202.3 secs Computing kpt #: 241 total cpu time spent up to now is 203.2 secs Computing kpt #: 242 total cpu time spent up to now is 204.1 secs Computing kpt #: 243 total cpu time spent up to now is 205.0 secs Computing kpt #: 244 total cpu time spent up to now is 205.9 secs Computing kpt #: 245 total cpu time spent up to now is 206.8 secs Computing kpt #: 246 total cpu time spent up to now is 207.8 secs Computing kpt #: 247 total cpu time spent up to now is 208.7 secs Computing kpt #: 248 total cpu time spent up to now is 209.6 secs Computing kpt #: 249 total cpu time spent up to now is 210.5 secs Computing kpt #: 250 total cpu time spent up to now is 211.5 secs Computing kpt #: 251 total cpu time spent up to now is 212.7 secs Computing kpt #: 252 total cpu time spent up to now is 213.7 secs Computing kpt #: 253 total cpu time spent up to now is 214.7 secs Computing kpt #: 254 total cpu time spent up to now is 215.6 secs Computing kpt #: 255 total cpu time spent up to now is 216.5 secs Computing kpt #: 256 total cpu time spent up to now is 217.5 secs Computing kpt #: 257 total cpu time spent up to now is 218.4 secs Computing kpt #: 258 total cpu time spent up to now is 219.3 secs Computing kpt #: 259 total cpu time spent up to now is 220.3 secs Computing kpt #: 260 total cpu time spent up to now is 221.2 secs Computing kpt #: 261 total cpu time spent up to now is 222.2 secs Computing kpt #: 262 total cpu time spent up to now is 223.1 secs Computing kpt #: 263 total cpu time spent up to now is 224.1 secs Computing kpt #: 264 total cpu time spent up to now is 225.1 secs Computing kpt #: 265 total cpu time spent up to now is 226.1 secs Computing kpt #: 266 total cpu time spent up to now is 227.1 secs Computing kpt #: 267 total cpu time spent up to now is 228.0 secs Computing kpt #: 268 total cpu time spent up to now is 229.0 secs Computing kpt #: 269 total cpu time spent up to now is 229.9 secs Computing kpt #: 270 total cpu time spent up to now is 230.9 secs Computing kpt #: 271 total cpu time spent up to now is 231.9 secs Computing kpt #: 272 total cpu time spent up to now is 232.8 secs Computing kpt #: 273 total cpu time spent up to now is 233.8 secs Computing kpt #: 274 total cpu time spent up to now is 234.7 secs Computing kpt #: 275 total cpu time spent up to now is 235.7 secs Computing kpt #: 276 total cpu time spent up to now is 236.6 secs Computing kpt #: 277 total cpu time spent up to now is 237.6 secs Computing kpt #: 278 total cpu time spent up to now is 238.6 secs Computing kpt #: 279 total cpu time spent up to now is 239.5 secs Computing kpt #: 280 total cpu time spent up to now is 240.4 secs Computing kpt #: 281 total cpu time spent up to now is 241.4 secs Computing kpt #: 282 total cpu time spent up to now is 242.3 secs Computing kpt #: 283 total cpu time spent up to now is 243.2 secs Computing kpt #: 284 total cpu time spent up to now is 244.1 secs Computing kpt #: 285 total cpu time spent up to now is 245.0 secs Computing kpt #: 286 total cpu time spent up to now is 245.8 secs Computing kpt #: 287 total cpu time spent up to now is 246.6 secs Computing kpt #: 288 total cpu time spent up to now is 247.5 secs Computing kpt #: 289 total cpu time spent up to now is 248.3 secs Computing kpt #: 290 total cpu time spent up to now is 249.2 secs Computing kpt #: 291 total cpu time spent up to now is 250.0 secs Computing kpt #: 292 total cpu time spent up to now is 250.8 secs Computing kpt #: 293 total cpu time spent up to now is 251.7 secs Computing kpt #: 294 total cpu time spent up to now is 252.5 secs Computing kpt #: 295 total cpu time spent up to now is 253.3 secs Computing kpt #: 296 total cpu time spent up to now is 254.2 secs Computing kpt #: 297 total cpu time spent up to now is 255.0 secs Computing kpt #: 298 total cpu time spent up to now is 255.8 secs Computing kpt #: 299 total cpu time spent up to now is 256.6 secs Computing kpt #: 300 total cpu time spent up to now is 257.5 secs Computing kpt #: 301 total cpu time spent up to now is 258.3 secs Computing kpt #: 302 total cpu time spent up to now is 259.1 secs Computing kpt #: 303 total cpu time spent up to now is 260.0 secs Computing kpt #: 304 total cpu time spent up to now is 260.9 secs Computing kpt #: 305 total cpu time spent up to now is 261.8 secs Computing kpt #: 306 total cpu time spent up to now is 262.7 secs Computing kpt #: 307 total cpu time spent up to now is 263.6 secs Computing kpt #: 308 total cpu time spent up to now is 264.5 secs Computing kpt #: 309 total cpu time spent up to now is 265.4 secs Computing kpt #: 310 total cpu time spent up to now is 266.3 secs Computing kpt #: 311 total cpu time spent up to now is 267.2 secs Computing kpt #: 312 total cpu time spent up to now is 268.1 secs Computing kpt #: 313 total cpu time spent up to now is 269.0 secs Computing kpt #: 314 total cpu time spent up to now is 269.8 secs Computing kpt #: 315 total cpu time spent up to now is 270.7 secs Computing kpt #: 316 total cpu time spent up to now is 271.6 secs Computing kpt #: 317 total cpu time spent up to now is 272.5 secs Computing kpt #: 318 total cpu time spent up to now is 273.3 secs Computing kpt #: 319 total cpu time spent up to now is 274.2 secs Computing kpt #: 320 total cpu time spent up to now is 275.2 secs Computing kpt #: 321 total cpu time spent up to now is 276.2 secs Computing kpt #: 322 total cpu time spent up to now is 277.1 secs Computing kpt #: 323 total cpu time spent up to now is 278.1 secs Computing kpt #: 324 total cpu time spent up to now is 279.0 secs Computing kpt #: 325 total cpu time spent up to now is 280.0 secs Computing kpt #: 326 total cpu time spent up to now is 280.9 secs Computing kpt #: 327 total cpu time spent up to now is 281.8 secs Computing kpt #: 328 total cpu time spent up to now is 282.7 secs Computing kpt #: 329 total cpu time spent up to now is 283.8 secs Computing kpt #: 330 total cpu time spent up to now is 284.7 secs Computing kpt #: 331 total cpu time spent up to now is 285.6 secs Computing kpt #: 332 total cpu time spent up to now is 286.5 secs Computing kpt #: 333 total cpu time spent up to now is 287.4 secs Computing kpt #: 334 total cpu time spent up to now is 288.2 secs Computing kpt #: 335 total cpu time spent up to now is 289.2 secs Computing kpt #: 336 total cpu time spent up to now is 290.0 secs Computing kpt #: 337 total cpu time spent up to now is 290.9 secs Computing kpt #: 338 total cpu time spent up to now is 291.8 secs Computing kpt #: 339 total cpu time spent up to now is 292.6 secs Computing kpt #: 340 total cpu time spent up to now is 293.4 secs Computing kpt #: 341 total cpu time spent up to now is 294.3 secs Computing kpt #: 342 total cpu time spent up to now is 295.1 secs Computing kpt #: 343 total cpu time spent up to now is 296.0 secs Computing kpt #: 344 total cpu time spent up to now is 296.8 secs Computing kpt #: 345 total cpu time spent up to now is 297.7 secs Computing kpt #: 346 total cpu time spent up to now is 298.5 secs Computing kpt #: 347 total cpu time spent up to now is 299.2 secs Computing kpt #: 348 total cpu time spent up to now is 299.8 secs Computing kpt #: 349 total cpu time spent up to now is 300.5 secs Computing kpt #: 350 total cpu time spent up to now is 301.1 secs Computing kpt #: 351 total cpu time spent up to now is 301.8 secs Computing kpt #: 352 total cpu time spent up to now is 302.5 secs Computing kpt #: 353 total cpu time spent up to now is 303.1 secs Computing kpt #: 354 total cpu time spent up to now is 303.8 secs Computing kpt #: 355 total cpu time spent up to now is 304.5 secs Computing kpt #: 356 total cpu time spent up to now is 305.2 secs Computing kpt #: 357 total cpu time spent up to now is 305.9 secs Computing kpt #: 358 total cpu time spent up to now is 306.6 secs Computing kpt #: 359 total cpu time spent up to now is 307.3 secs Computing kpt #: 360 total cpu time spent up to now is 308.0 secs Computing kpt #: 361 total cpu time spent up to now is 308.7 secs Computing kpt #: 362 total cpu time spent up to now is 309.5 secs Computing kpt #: 363 total cpu time spent up to now is 310.4 secs Computing kpt #: 364 total cpu time spent up to now is 311.2 secs Computing kpt #: 365 total cpu time spent up to now is 312.1 secs Computing kpt #: 366 total cpu time spent up to now is 313.0 secs Computing kpt #: 367 total cpu time spent up to now is 313.9 secs Computing kpt #: 368 total cpu time spent up to now is 314.8 secs Computing kpt #: 369 total cpu time spent up to now is 315.7 secs Computing kpt #: 370 total cpu time spent up to now is 316.6 secs Computing kpt #: 371 total cpu time spent up to now is 317.5 secs Computing kpt #: 372 total cpu time spent up to now is 318.3 secs Computing kpt #: 373 total cpu time spent up to now is 319.2 secs Computing kpt #: 374 total cpu time spent up to now is 320.8 secs Computing kpt #: 375 total cpu time spent up to now is 322.1 secs Computing kpt #: 376 total cpu time spent up to now is 324.2 secs Computing kpt #: 377 total cpu time spent up to now is 325.7 secs Computing kpt #: 378 total cpu time spent up to now is 327.2 secs Computing kpt #: 379 total cpu time spent up to now is 328.8 secs Computing kpt #: 380 total cpu time spent up to now is 330.3 secs Computing kpt #: 381 total cpu time spent up to now is 331.8 secs Computing kpt #: 382 total cpu time spent up to now is 333.7 secs Computing kpt #: 383 total cpu time spent up to now is 335.5 secs Computing kpt #: 384 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 337.7 secs Computing kpt #: 385 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 339.8 secs Computing kpt #: 386 total cpu time spent up to now is 341.2 secs Computing kpt #: 387 total cpu time spent up to now is 343.0 secs Computing kpt #: 388 total cpu time spent up to now is 344.2 secs Computing kpt #: 389 total cpu time spent up to now is 345.4 secs Computing kpt #: 390 total cpu time spent up to now is 346.8 secs Computing kpt #: 391 total cpu time spent up to now is 348.0 secs Computing kpt #: 392 total cpu time spent up to now is 349.0 secs Computing kpt #: 393 total cpu time spent up to now is 350.2 secs Computing kpt #: 394 total cpu time spent up to now is 351.1 secs Computing kpt #: 395 total cpu time spent up to now is 352.0 secs Computing kpt #: 396 total cpu time spent up to now is 352.9 secs Computing kpt #: 397 total cpu time spent up to now is 353.8 secs Computing kpt #: 398 total cpu time spent up to now is 354.7 secs Computing kpt #: 399 total cpu time spent up to now is 355.7 secs Computing kpt #: 400 total cpu time spent up to now is 356.6 secs ethr = 1.79E-08, avg # of iterations = 23.4 total cpu time spent up to now is 356.6 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3831 PWs) bands (ev): 0.2890 0.2890 3.2675 3.2675 3.5835 3.5835 4.4702 4.4702 5.7791 5.7791 5.8456 5.8456 7.1351 7.1351 7.4351 7.4351 7.5560 7.5560 7.6995 7.6995 7.8348 7.8348 8.2328 8.2328 8.3153 8.3153 8.8309 8.8309 9.0833 9.0833 9.1935 9.1935 9.3712 9.3712 10.0149 10.0149 10.0704 10.0704 10.3081 10.3081 10.5861 10.5861 10.7333 10.7333 10.7340 10.7340 11.0259 11.0259 11.0548 11.0548 11.9019 11.9019 11.9930 11.9930 12.6096 12.6096 14.1784 14.1784 14.5315 14.5315 15.9582 15.9582 16.7522 16.7522 16.8377 16.8377 17.6264 17.6264 k = 0.0116-0.0000-0.0000 ( 3833 PWs) bands (ev): 0.2906 0.2906 3.2687 3.2687 3.5839 3.5839 4.4692 4.4692 5.7803 5.7803 5.8462 5.8462 7.1354 7.1354 7.4361 7.4361 7.5551 7.5551 7.6998 7.6998 7.8337 7.8337 8.2335 8.2335 8.3150 8.3150 8.8327 8.8327 9.0837 9.0837 9.1917 9.1917 9.3718 9.3718 10.0138 10.0138 10.0655 10.0655 10.3103 10.3103 10.5866 10.5866 10.7147 10.7147 10.7336 10.7336 11.0467 11.0467 11.0549 11.0549 11.8955 11.8955 11.9938 11.9938 12.6104 12.6104 14.1808 14.1808 14.5365 14.5365 15.9484 15.9484 16.7440 16.7440 16.8293 16.8293 17.6256 17.6256 k = 0.0233-0.0000-0.0000 ( 3839 PWs) bands (ev): 0.2954 0.2954 3.2724 3.2724 3.5849 3.5849 4.4661 4.4661 5.7839 5.7839 5.8478 5.8478 7.1362 7.1362 7.4392 7.4392 7.5525 7.5525 7.7009 7.7009 7.8305 7.8305 8.2354 8.2354 8.3142 8.3142 8.8380 8.8380 9.0849 9.0849 9.1866 9.1866 9.3736 9.3736 10.0104 10.0104 10.0517 10.0517 10.3161 10.3161 10.5867 10.5867 10.6720 10.6720 10.7319 10.7319 11.0529 11.0529 11.0997 11.0997 11.8764 11.8764 11.9964 11.9964 12.6129 12.6129 14.1875 14.1875 14.5514 14.5514 15.9192 15.9192 16.7120 16.7120 16.8144 16.8144 17.6220 17.6220 k = 0.0349-0.0000-0.0000 ( 3839 PWs) bands (ev): 0.3034 0.3034 3.2786 3.2786 3.5867 3.5867 4.4610 4.4610 5.7900 5.7900 5.8506 5.8506 7.1375 7.1375 7.4437 7.4437 7.5491 7.5491 7.7025 7.7025 7.8253 7.8253 8.2384 8.2384 8.3128 8.3128 8.8466 8.8466 9.0870 9.0870 9.1782 9.1782 9.3764 9.3764 10.0044 10.0044 10.0307 10.0307 10.3239 10.3239 10.5772 10.5772 10.6299 10.6299 10.7291 10.7291 11.0509 11.0509 11.1675 11.1675 11.8458 11.8458 12.0011 12.0011 12.6170 12.6170 14.1973 14.1973 14.5761 14.5761 15.8712 15.8712 16.6484 16.6484 16.8078 16.8078 17.6122 17.6122 k = 0.0465-0.0000-0.0000 ( 3843 PWs) bands (ev): 0.3145 0.3145 3.2871 3.2871 3.5892 3.5892 4.4540 4.4540 5.7983 5.7983 5.8545 5.8545 7.1392 7.1392 7.4488 7.4488 7.5461 7.5461 7.7043 7.7043 7.8181 7.8181 8.2422 8.2422 8.3109 8.3109 8.8581 8.8581 9.0902 9.0902 9.1667 9.1667 9.3804 9.3804 9.9933 9.9933 10.0064 10.0064 10.3319 10.3319 10.5363 10.5363 10.6182 10.6182 10.7252 10.7252 11.0477 11.0477 11.2424 11.2424 11.8057 11.8057 12.0083 12.0083 12.6230 12.6230 14.2089 14.2089 14.6100 14.6100 15.8057 15.8057 16.5604 16.5604 16.8102 16.8102 17.5920 17.5920 k = 0.0581-0.0000-0.0000 ( 3851 PWs) bands (ev): 0.3289 0.3289 3.2981 3.2981 3.5924 3.5924 4.4450 4.4450 5.8088 5.8088 5.8597 5.8597 7.1411 7.1411 7.4532 7.4532 7.5454 7.5454 7.7062 7.7062 7.8093 7.8093 8.2464 8.2464 8.3085 8.3085 8.8719 8.8719 9.0946 9.0946 9.1528 9.1528 9.3853 9.3853 9.9673 9.9673 9.9897 9.9897 10.3383 10.3383 10.4826 10.4826 10.6221 10.6221 10.7203 10.7203 11.0434 11.0434 11.3203 11.3203 11.7589 11.7589 12.0182 12.0182 12.6309 12.6309 14.2211 14.2211 14.6517 14.6517 15.7245 15.7245 16.4568 16.4568 16.8195 16.8195 17.5564 17.5564 k = 0.0698-0.0000-0.0000 ( 3855 PWs) bands (ev): 0.3464 0.3464 3.3113 3.3113 3.5962 3.5962 4.4343 4.4343 5.8213 5.8213 5.8661 5.8661 7.1430 7.1430 7.4558 7.4558 7.5487 7.5487 7.7077 7.7077 7.7992 7.7992 8.2504 8.2504 8.3060 8.3060 8.8872 8.8872 9.0997 9.0997 9.1376 9.1376 9.3912 9.3912 9.9324 9.9324 9.9753 9.9753 10.3397 10.3397 10.4323 10.4323 10.6291 10.6291 10.7145 10.7145 11.0378 11.0378 11.3986 11.3986 11.7089 11.7089 12.0308 12.0308 12.6408 12.6408 14.2329 14.2329 14.6993 14.6993 15.6304 15.6304 16.3438 16.3438 16.8349 16.8349 17.5001 17.5001 k = 0.0814-0.0000-0.0000 ( 3851 PWs) bands (ev): 0.3670 0.3670 3.3268 3.3268 3.6007 3.6007 4.4219 4.4219 5.8353 5.8353 5.8743 5.8743 7.1447 7.1447 7.4560 7.4560 7.5569 7.5569 7.7079 7.7079 7.7885 7.7885 8.2529 8.2529 8.3044 8.3044 8.9032 8.9032 9.1002 9.1002 9.1272 9.1272 9.3981 9.3981 9.8938 9.8938 9.9586 9.9586 10.3278 10.3278 10.3965 10.3965 10.6362 10.6362 10.7079 10.7079 11.0311 11.0311 11.4732 11.4732 11.6608 11.6608 12.0467 12.0467 12.6527 12.6527 14.2440 14.2440 14.7501 14.7501 15.5264 15.5264 16.2252 16.2252 16.8557 16.8557 17.4202 17.4202 k = 0.0930-0.0000-0.0000 ( 3837 PWs) bands (ev): 0.3908 0.3908 3.3444 3.3444 3.6057 3.6057 4.4078 4.4078 5.8500 5.8500 5.8848 5.8848 7.1459 7.1459 7.4547 7.4547 7.5693 7.5693 7.7057 7.7057 7.7786 7.7786 8.2527 8.2527 8.3048 8.3048 8.9189 8.9189 9.0860 9.0860 9.1326 9.1326 9.4058 9.4058 9.8523 9.8523 9.9388 9.9388 10.2958 10.2958 10.3830 10.3830 10.6420 10.6420 10.7003 10.7003 11.0234 11.0234 11.5293 11.5293 11.6307 11.6307 12.0664 12.0664 12.6667 12.6667 14.2541 14.2541 14.8004 14.8004 15.4164 15.4164 16.1040 16.1040 16.8813 16.8813 17.3194 17.3194 k = 0.1047-0.0000-0.0000 ( 3833 PWs) bands (ev): 0.4178 0.4178 3.3641 3.3641 3.6113 3.6113 4.3923 4.3923 5.8642 5.8642 5.8986 5.8986 7.1464 7.1464 7.4533 7.4533 7.5846 7.5846 7.6996 7.6996 7.7715 7.7715 8.2487 8.2487 8.3081 8.3081 8.9337 8.9337 9.0646 9.0646 9.1468 9.1468 9.4144 9.4144 9.8087 9.8087 9.9157 9.9157 10.2563 10.2563 10.3795 10.3795 10.6454 10.6454 10.6916 10.6916 11.0154 11.0154 11.5251 11.5251 11.6612 11.6612 12.0906 12.0906 12.6828 12.6828 14.2633 14.2633 14.8445 14.8445 15.3065 15.3065 15.9826 15.9826 16.9106 16.9106 17.2044 17.2044 k = 0.1163-0.0000-0.0000 ( 3835 PWs) bands (ev): 0.4478 0.4478 3.3856 3.3856 3.6174 3.6174 4.3754 4.3754 5.8770 5.8770 5.9165 5.9165 7.1459 7.1459 7.4529 7.4529 7.6008 7.6008 7.6891 7.6891 7.7685 7.7685 8.2409 8.2409 8.3140 8.3140 8.9472 8.9472 9.0409 9.0409 9.1654 9.1654 9.4237 9.4237 9.7631 9.7631 9.8898 9.8898 10.2178 10.2178 10.3776 10.3776 10.6457 10.6457 10.6812 10.6812 11.0081 11.0081 11.4907 11.4907 11.7221 11.7221 12.1203 12.1203 12.7010 12.7010 14.2713 14.2713 14.8705 14.8705 15.2082 15.2082 15.8631 15.8631 16.9413 16.9413 17.0824 17.0824 k = 0.1279-0.0000-0.0000 ( 3834 PWs) bands (ev): 0.4809 0.4809 3.4087 3.4087 3.6241 3.6241 4.3573 4.3573 5.8884 5.8884 5.9382 5.9382 7.1446 7.1446 7.4538 7.4538 7.6141 7.6141 7.6774 7.6774 7.7696 7.7696 8.2300 8.2300 8.3219 8.3219 8.9586 8.9586 9.0169 9.0169 9.1868 9.1868 9.4337 9.4337 9.7162 9.7162 9.8615 9.8615 10.1823 10.1823 10.3749 10.3749 10.6429 10.6429 10.6685 10.6685 11.0028 11.0028 11.4558 11.4558 11.7828 11.7828 12.1562 12.1562 12.7213 12.7213 14.2780 14.2780 14.8545 14.8545 15.1449 15.1449 15.7479 15.7479 16.9389 16.9389 16.9906 16.9906 k = 0.1395-0.0000-0.0000 ( 3830 PWs) bands (ev): 0.5171 0.5171 3.4334 3.4334 3.6312 3.6312 4.3382 4.3382 5.8990 5.8990 5.9629 5.9629 7.1427 7.1427 7.4560 7.4560 7.6158 7.6158 7.6738 7.6738 7.7740 7.7740 8.2165 8.2165 8.3310 8.3310 8.9654 8.9654 8.9964 8.9964 9.2099 9.2099 9.4439 9.4439 9.6687 9.6687 9.8316 9.8316 10.1501 10.1501 10.3705 10.3705 10.6374 10.6374 10.6531 10.6531 11.0004 11.0004 11.4253 11.4253 11.8374 11.8374 12.1986 12.1986 12.7438 12.7438 14.2829 14.2829 14.7828 14.7828 15.1285 15.1285 15.6406 15.6406 16.8197 16.8197 17.0113 17.0113 k = 0.1512-0.0000-0.0000 ( 3844 PWs) bands (ev): 0.5564 0.5564 3.4592 3.4592 3.6388 3.6388 4.3181 4.3181 5.9092 5.9092 5.9900 5.9900 7.1403 7.1403 7.4584 7.4584 7.6017 7.6017 7.6833 7.6833 7.7814 7.7814 8.2009 8.2009 8.3407 8.3407 8.9552 8.9552 8.9925 8.9925 9.2334 9.2334 9.4539 9.4539 9.6216 9.6216 9.8012 9.8012 10.1209 10.1209 10.3640 10.3640 10.6279 10.6279 10.6373 10.6373 11.0015 11.0015 11.3997 11.3997 11.8847 11.8847 12.2467 12.2467 12.7683 12.7683 14.2852 14.2852 14.6788 14.6788 15.1313 15.1313 15.5476 15.5476 16.6929 16.6929 17.0249 17.0249 k = 0.1628-0.0000-0.0000 ( 3840 PWs) bands (ev): 0.5986 0.5986 3.4858 3.4858 3.6471 3.6471 4.2972 4.2972 5.9190 5.9190 6.0190 6.0190 7.1381 7.1381 7.4590 7.4590 7.5813 7.5813 7.6980 7.6980 7.7918 7.7918 8.1832 8.1832 8.3507 8.3507 8.9337 8.9337 9.0008 9.0008 9.2556 9.2556 9.4624 9.4624 9.5771 9.5771 9.7715 9.7715 10.0941 10.0941 10.3554 10.3554 10.6105 10.6105 10.6267 10.6267 11.0058 11.0058 11.3785 11.3785 11.9251 11.9251 12.2985 12.2985 12.7947 12.7947 14.2830 14.2830 14.5661 14.5661 15.1222 15.1222 15.4799 15.4799 16.5678 16.5678 16.9827 16.9827 k = 0.1744-0.0000-0.0000 ( 3844 PWs) bands (ev): 0.6439 0.6439 3.5128 3.5128 3.6561 3.6561 4.2757 4.2757 5.9285 5.9285 6.0496 6.0496 7.1364 7.1364 7.4539 7.4539 7.5628 7.5628 7.7123 7.7123 7.8057 7.8057 8.1636 8.1636 8.3604 8.3604 8.9115 8.9115 9.0117 9.0117 9.2737 9.2737 9.4659 9.4659 9.5403 9.5403 9.7438 9.7438 10.0696 10.0696 10.3448 10.3448 10.5897 10.5897 10.6187 10.6187 11.0127 11.0127 11.3609 11.3609 11.9598 11.9598 12.3512 12.3512 12.8227 12.8227 14.2713 14.2713 14.4591 14.4591 15.0831 15.0831 15.4478 15.4478 16.4459 16.4459 16.8665 16.8665 k = 0.1860-0.0000-0.0000 ( 3836 PWs) bands (ev): 0.6921 0.6921 3.5396 3.5396 3.6661 3.6661 4.2536 4.2536 5.9374 5.9374 6.0814 6.0814 7.1356 7.1356 7.4392 7.4392 7.5515 7.5515 7.7243 7.7243 7.8234 7.8234 8.1421 8.1421 8.3696 8.3696 8.8909 8.8909 9.0238 9.0238 9.2836 9.2836 9.4588 9.4588 9.5202 9.5202 9.7197 9.7197 10.0471 10.0471 10.3326 10.3326 10.5690 10.5690 10.6113 10.6113 11.0215 11.0215 11.3458 11.3458 11.9902 11.9902 12.4016 12.4016 12.8517 12.8517 14.2357 14.2357 14.3766 14.3766 15.0160 15.0160 15.4466 15.4466 16.3282 16.3282 16.7185 16.7185 k = 0.1977-0.0000-0.0000 ( 3840 PWs) bands (ev): 0.7432 0.7432 3.5654 3.5654 3.6774 3.6774 4.2312 4.2312 5.9458 5.9458 6.1144 6.1144 7.1358 7.1358 7.4146 7.4146 7.5481 7.5481 7.7333 7.7333 7.8445 7.8445 8.1188 8.1188 8.3778 8.3778 8.8727 8.8727 9.0368 9.0368 9.2790 9.2790 9.4471 9.4471 9.5158 9.5158 9.7007 9.7007 10.0267 10.0267 10.3196 10.3196 10.5492 10.5492 10.6048 10.6048 11.0314 11.0314 11.3324 11.3324 12.0174 12.0174 12.4468 12.4468 12.8804 12.8804 14.1649 14.1649 14.3328 14.3328 14.9339 14.9339 15.4623 15.4623 16.2154 16.2154 16.5603 16.5603 k = 0.2093-0.0000-0.0000 ( 3832 PWs) bands (ev): 0.7973 0.7973 3.5891 3.5891 3.6907 3.6907 4.2085 4.2085 5.9534 5.9534 6.1482 6.1482 7.1371 7.1371 7.3843 7.3843 7.5492 7.5492 7.7396 7.7396 7.8685 7.8685 8.0936 8.0936 8.3847 8.3847 8.8574 8.8574 9.0507 9.0507 9.2572 9.2572 9.4446 9.4446 9.5150 9.5150 9.6885 9.6885 10.0087 10.0087 10.3067 10.3067 10.5306 10.5306 10.5993 10.5993 11.0417 11.0417 11.3201 11.3201 12.0424 12.0424 12.4838 12.4838 12.9072 12.9072 14.0818 14.0818 14.3074 14.3074 14.8472 14.8472 15.4846 15.4846 16.1076 16.1076 16.4007 16.4007 k = 0.2209-0.0000-0.0000 ( 3834 PWs) bands (ev): 0.8541 0.8541 3.6099 3.6099 3.7064 3.7064 4.1856 4.1856 5.9599 5.9599 6.1826 6.1826 7.1387 7.1387 7.3526 7.3526 7.5517 7.5517 7.7433 7.7433 7.8945 7.8945 8.0667 8.0667 8.3899 8.3899 8.8453 8.8453 9.0652 9.0652 9.2235 9.2235 9.4517 9.4517 9.5125 9.5125 9.6838 9.6838 9.9934 9.9934 10.2947 10.2947 10.5131 10.5131 10.5948 10.5948 11.0518 11.0518 11.3082 11.3082 12.0657 12.0657 12.5102 12.5102 12.9296 12.9296 14.0065 14.0065 14.2827 14.2827 14.7616 14.7616 15.5081 15.5081 16.0041 16.0041 16.2463 16.2463 k = 0.2326-0.0000-0.0000 ( 3838 PWs) bands (ev): 0.9138 0.9138 3.6272 3.6272 3.7244 3.7244 4.1627 4.1627 5.9654 5.9654 6.2174 6.2174 7.1393 7.1393 7.3234 7.3234 7.5535 7.5535 7.7446 7.7446 7.9219 7.9219 8.0383 8.0383 8.3933 8.3933 8.8358 8.8358 9.0797 9.0797 9.1858 9.1858 9.4633 9.4633 9.5074 9.5074 9.6860 9.6860 9.9814 9.9814 10.2847 10.2847 10.4966 10.4966 10.5916 10.5916 11.0612 11.0612 11.2961 11.2961 12.0873 12.0873 12.5237 12.5237 12.9450 12.9450 13.9477 13.9477 14.2518 14.2518 14.6805 14.6805 15.5301 15.5301 15.9024 15.9024 16.1047 16.1047 k = 0.2442-0.0000-0.0000 ( 3842 PWs) bands (ev): 0.9762 0.9762 3.6410 3.6410 3.7442 3.7442 4.1399 4.1399 5.9696 5.9696 6.2524 6.2524 7.1363 7.1363 7.3011 7.3011 7.5538 7.5538 7.7435 7.7435 7.9494 7.9494 8.0089 8.0089 8.3950 8.3950 8.8279 8.8279 9.0916 9.0916 9.1515 9.1515 9.4760 9.4760 9.5010 9.5010 9.6936 9.6936 9.9734 9.9734 10.2774 10.2774 10.4808 10.4808 10.5895 10.5895 11.0696 11.0696 11.2835 11.2835 12.1073 12.1073 12.5220 12.5220 12.9521 12.9521 13.9089 13.9089 14.2122 14.2122 14.6057 14.6057 15.5484 15.5484 15.7981 15.7981 15.9853 15.9853 k = 0.2558-0.0000-0.0000 ( 3846 PWs) bands (ev): 1.0413 1.0413 3.6520 3.6520 3.7643 3.7643 4.1172 4.1172 5.9725 5.9725 6.2875 6.2875 7.1270 7.1270 7.2899 7.2899 7.5518 7.5518 7.7398 7.7398 7.9674 7.9674 7.9876 7.9876 8.3953 8.3953 8.8201 8.8201 9.0896 9.0896 9.1359 9.1359 9.4880 9.4880 9.4949 9.4949 9.7048 9.7048 9.9699 9.9699 10.2734 10.2734 10.4656 10.4656 10.5885 10.5885 11.0767 11.0767 11.2700 11.2700 12.1251 12.1251 12.5039 12.5039 12.9512 12.9512 13.8883 13.8883 14.1651 14.1651 14.5373 14.5373 15.5607 15.5607 15.6902 15.6902 15.8947 15.8947 k = 0.2674-0.0000-0.0000 ( 3846 PWs) bands (ev): 1.1091 1.1091 3.6608 3.6608 3.7835 3.7835 4.0949 4.0949 5.9742 5.9742 6.3226 6.3226 7.1108 7.1108 7.2911 7.2911 7.5473 7.5473 7.7332 7.7332 7.9414 7.9414 8.0083 8.0083 8.3945 8.3945 8.8100 8.8100 9.0706 9.0706 9.1446 9.1446 9.4896 9.4896 9.4995 9.4995 9.7183 9.7183 9.9714 9.9714 10.2732 10.2732 10.4510 10.4510 10.5886 10.5886 11.0821 11.0821 11.2552 11.2552 12.1396 12.1396 12.4695 12.4695 12.9445 12.9445 13.8759 13.8759 14.1185 14.1185 14.4736 14.4736 15.5537 15.5537 15.5966 15.5966 15.8319 15.8319 k = 0.2791-0.0000-0.0000 ( 3846 PWs) bands (ev): 1.1794 1.1794 3.6679 3.6679 3.8003 3.8003 4.0728 4.0728 5.9750 5.9750 6.3575 6.3575 7.0907 7.0907 7.3029 7.3029 7.5402 7.5402 7.7235 7.7235 7.9087 7.9087 8.0335 8.0335 8.3930 8.3930 8.7958 8.7958 9.0539 9.0539 9.1604 9.1604 9.4869 9.4869 9.5092 9.5092 9.7333 9.7333 9.9780 9.9780 10.2771 10.2771 10.4370 10.4370 10.5896 10.5896 11.0858 11.0858 11.2389 11.2389 12.1484 12.1484 12.4220 12.4220 12.9346 12.9346 13.8495 13.8495 14.0921 14.0921 14.4117 14.4117 15.4752 15.4752 15.5776 15.5776 15.7919 15.7919 k = 0.2907-0.0000-0.0000 ( 3850 PWs) bands (ev): 1.2523 1.2523 3.6736 3.6736 3.8137 3.8137 4.0512 4.0512 5.9755 5.9755 6.3923 6.3923 7.0698 7.0698 7.3222 7.3222 7.5305 7.5305 7.7101 7.7101 7.8751 7.8751 8.0566 8.0566 8.3913 8.3913 8.7771 8.7771 9.0453 9.0453 9.1783 9.1783 9.4865 9.4865 9.5184 9.5184 9.7493 9.7493 9.9897 9.9897 10.2853 10.2853 10.4238 10.4238 10.5916 10.5916 11.0875 11.0875 11.2210 11.2210 12.1466 12.1466 12.3684 12.3684 12.9234 12.9234 13.7892 13.7892 14.1031 14.1031 14.3489 14.3489 15.3944 15.3944 15.5708 15.5708 15.7697 15.7697 k = 0.3023-0.0000-0.0000 ( 3860 PWs) bands (ev): 1.3276 1.3276 3.6781 3.6781 3.8226 3.8226 4.0300 4.0300 5.9761 5.9761 6.4269 6.4269 7.0508 7.0508 7.3467 7.3467 7.5182 7.5182 7.6926 7.6926 7.8416 7.8416 8.0766 8.0766 8.3896 8.3896 8.7552 8.7552 9.0442 9.0442 9.1975 9.1975 9.4886 9.4886 9.5277 9.5277 9.7660 9.7660 10.0060 10.0060 10.2978 10.2978 10.4116 10.4116 10.5944 10.5944 11.0873 11.0873 11.2014 11.2014 12.1247 12.1247 12.3205 12.3205 12.9119 12.9119 13.6997 13.6997 14.1443 14.1443 14.2836 14.2836 15.3310 15.3310 15.5635 15.5635 15.7594 15.7594 k = 0.3140-0.0000-0.0000 ( 3860 PWs) bands (ev): 1.4052 1.4052 3.6815 3.6815 3.8262 3.8262 4.0094 4.0094 5.9780 5.9780 6.4614 6.4614 7.0350 7.0350 7.3746 7.3746 7.5032 7.5032 7.6709 7.6709 7.8087 7.8087 8.0929 8.0929 8.3878 8.3878 8.7320 8.7320 9.0485 9.0485 9.2180 9.2180 9.4934 9.4934 9.5379 9.5379 9.7833 9.7833 10.0264 10.0264 10.3144 10.3144 10.4011 10.4011 10.5979 10.5979 11.0848 11.0848 11.1799 11.1799 12.0748 12.0748 12.2888 12.2888 12.9009 12.9009 13.5924 13.5924 14.2005 14.2005 14.2180 14.2180 15.2864 15.2864 15.5584 15.5584 15.7558 15.7558 k = 0.3256-0.0000-0.0000 ( 3864 PWs) bands (ev): 1.4852 1.4852 3.6834 3.6834 3.8239 3.8239 3.9893 3.9893 5.9819 5.9819 6.4957 6.4957 7.0230 7.0230 7.4040 7.4040 7.4857 7.4857 7.6451 7.6451 7.7770 7.7770 8.1052 8.1052 8.3857 8.3857 8.7094 8.7094 9.0563 9.0563 9.2402 9.2402 9.5009 9.5009 9.5492 9.5492 9.8013 9.8013 10.0503 10.0503 10.3336 10.3336 10.3937 10.3937 10.6022 10.6022 11.0802 11.0802 11.1567 11.1567 12.0020 12.0020 12.2698 12.2698 12.8911 12.8911 13.4738 13.4738 14.1451 14.1451 14.2720 14.2720 15.2600 15.2600 15.5577 15.5577 15.7552 15.7552 k = 0.3372-0.0000-0.0000 ( 3868 PWs) bands (ev): 1.5673 1.5673 3.6833 3.6833 3.8157 3.8157 3.9699 3.9699 5.9890 5.9890 6.5299 6.5299 7.0150 7.0150 7.4324 7.4324 7.4655 7.4655 7.6174 7.6174 7.7467 7.7467 8.1137 8.1137 8.3832 8.3832 8.6884 8.6884 9.0662 9.0662 9.2641 9.2641 9.5113 9.5113 9.5616 9.5616 9.8202 9.8202 10.0773 10.0773 10.3499 10.3499 10.3952 10.3952 10.6070 10.6070 11.0730 11.0730 11.1324 11.1324 11.9169 11.9169 12.2535 12.2535 12.8834 12.8834 13.3481 13.3481 14.0751 14.0751 14.3462 14.3462 15.2500 15.2500 15.5623 15.5623 15.7554 15.7554 k = 0.3488-0.0000-0.0000 ( 3872 PWs) bands (ev): 1.6515 1.6515 3.6801 3.6801 3.8023 3.8023 3.9511 3.9511 6.0004 6.0004 6.5641 6.5641 7.0108 7.0108 7.4409 7.4409 7.4553 7.4553 7.5933 7.5933 7.7178 7.7178 8.1185 8.1185 8.3800 8.3800 8.6690 8.6690 9.0776 9.0776 9.2899 9.2899 9.5248 9.5248 9.5747 9.5747 9.8402 9.8402 10.1069 10.1069 10.3549 10.3549 10.4138 10.4138 10.6123 10.6123 11.0624 11.0624 11.1081 11.1081 11.8267 11.8267 12.2334 12.2334 12.8779 12.8779 13.2189 13.2189 14.0056 14.0056 14.4241 14.4241 15.2542 15.2542 15.5722 15.5722 15.7554 15.7554 k = 0.3605-0.0000-0.0000 ( 3872 PWs) bands (ev): 1.7377 1.7377 3.6713 3.6713 3.7858 3.7858 3.9330 3.9330 6.0167 6.0167 6.5982 6.5982 7.0100 7.0100 7.4133 7.4133 7.4592 7.4592 7.5849 7.5849 7.6905 7.6905 8.1202 8.1202 8.3764 8.3764 8.6506 8.6506 9.0908 9.0908 9.3169 9.3169 9.5412 9.5412 9.5881 9.5881 9.8620 9.8620 10.1386 10.1386 10.3537 10.3537 10.4440 10.4440 10.6179 10.6179 11.0463 11.0463 11.0865 11.0865 11.7351 11.7351 12.2066 12.2066 12.8718 12.8718 13.0923 13.0923 13.9376 13.9376 14.5041 14.5041 15.2704 15.2704 15.5869 15.5869 15.7546 15.7546 k = 0.3721-0.0000-0.0000 ( 3872 PWs) bands (ev): 1.8258 1.8258 3.6530 3.6530 3.7702 3.7702 3.9158 3.9158 6.0387 6.0387 6.6323 6.6323 7.0121 7.0121 7.3786 7.3786 7.4423 7.4423 7.5964 7.5964 7.6667 7.6667 8.1192 8.1192 8.3725 8.3725 8.6325 8.6325 9.1061 9.1061 9.3445 9.3445 9.5598 9.5598 9.6015 9.6015 9.8858 9.8858 10.1719 10.1719 10.3532 10.3532 10.4788 10.4788 10.6236 10.6236 11.0231 11.0231 11.0702 11.0702 11.6442 11.6442 12.1718 12.1718 12.8470 12.8470 12.9891 12.9891 13.8717 13.8717 14.5852 14.5852 15.2966 15.2966 15.6049 15.6049 15.7532 15.7532 k = 0.3837-0.0000-0.0000 ( 3856 PWs) bands (ev): 1.9156 1.9156 3.6217 3.6217 3.7591 3.7591 3.8994 3.8994 6.0667 6.0667 6.6662 6.6662 7.0163 7.0163 7.3352 7.3352 7.4167 7.4167 7.6055 7.6055 7.6586 7.6586 8.1159 8.1159 8.3689 8.3689 8.6137 8.6137 9.1240 9.1240 9.3716 9.3716 9.5794 9.5794 9.6153 9.6153 9.9120 9.9120 10.2058 10.2058 10.3567 10.3567 10.5146 10.5146 10.6290 10.6290 10.9951 10.9951 11.0583 11.0583 11.5557 11.5557 12.1292 12.1292 12.7617 12.7617 12.9528 12.9528 13.8080 13.8080 14.6664 14.6664 15.3310 15.3310 15.6244 15.6244 15.7522 15.7522 k = 0.3953-0.0000-0.0000 ( 3860 PWs) bands (ev): 2.0069 2.0069 3.5773 3.5773 3.7532 3.7532 3.8839 3.8839 6.1008 6.1008 6.6999 6.6999 7.0216 7.0216 7.2837 7.2837 7.3911 7.3911 7.5898 7.5898 7.6805 7.6805 8.1106 8.1106 8.3660 8.3660 8.5937 8.5937 9.1444 9.1444 9.3966 9.3966 9.5985 9.5985 9.6305 9.6305 9.9409 9.9409 10.2380 10.2380 10.3675 10.3675 10.5484 10.5484 10.6337 10.6337 10.9660 10.9660 11.0496 11.0496 11.4705 11.4705 12.0797 12.0797 12.6415 12.6415 12.9593 12.9593 13.7466 13.7466 14.7472 14.7472 15.3717 15.3717 15.6419 15.6419 15.7542 15.7542 k = 0.4070-0.0000-0.0000 ( 3862 PWs) bands (ev): 2.0996 2.0996 3.5218 3.5218 3.7512 3.7512 3.8693 3.8693 6.1410 6.1410 6.7332 6.7332 7.0265 7.0265 7.2269 7.2269 7.3677 7.3677 7.5646 7.5646 7.7137 7.7137 8.1033 8.1033 8.3642 8.3642 8.5726 8.5726 9.1674 9.1674 9.4181 9.4181 9.6152 9.6152 9.6482 9.6482 9.9727 9.9727 10.2654 10.2654 10.3896 10.3896 10.5765 10.5765 10.6372 10.6372 10.9386 10.9386 11.0442 11.0442 11.3894 11.3894 12.0248 12.0248 12.5164 12.5164 12.9794 12.9794 13.6874 13.6874 14.8269 14.8269 15.4165 15.4165 15.6530 15.6530 15.7628 15.7628 k = 0.4186-0.0000-0.0000 ( 3858 PWs) bands (ev): 2.1936 2.1936 3.4575 3.4575 3.7515 3.7515 3.8556 3.8556 6.1868 6.1868 6.7657 6.7657 7.0280 7.0280 7.1687 7.1687 7.3474 7.3474 7.5373 7.5373 7.7492 7.7492 8.0943 8.0943 8.3638 8.3638 8.5505 8.5505 9.1924 9.1924 9.4344 9.4344 9.6301 9.6301 9.6677 9.6677 10.0073 10.0073 10.2864 10.2864 10.4245 10.4245 10.5950 10.5950 10.6388 10.6388 10.9161 10.9161 11.0427 11.0427 11.3132 11.3132 11.9665 11.9665 12.3944 12.3944 13.0062 13.0062 13.6302 13.6302 14.9051 14.9051 15.4623 15.4623 15.6561 15.6561 15.7802 15.7802 k = 0.4302-0.0000-0.0000 ( 3866 PWs) bands (ev): 2.2886 2.2886 3.3859 3.3859 3.7534 3.7534 3.8427 3.8427 6.2379 6.2379 6.7966 6.7966 7.0195 7.0195 7.1166 7.1166 7.3309 7.3309 7.5096 7.5096 7.7849 7.7849 8.0834 8.0834 8.3649 8.3649 8.5279 8.5279 9.2191 9.2191 9.4443 9.4443 9.6447 9.6447 9.6867 9.6867 10.0447 10.0447 10.3028 10.3028 10.4698 10.4698 10.6011 10.6011 10.6373 10.6373 10.9015 10.9015 11.0455 11.0455 11.2423 11.2423 11.9077 11.9077 12.2784 12.2784 13.0375 13.0375 13.5750 13.5750 14.9812 14.9812 15.5028 15.5028 15.6570 15.6570 15.8036 15.8036 k = 0.4419-0.0000-0.0000 ( 3872 PWs) bands (ev): 2.3843 2.3843 3.3084 3.3084 3.7564 3.7564 3.8308 3.8308 6.2938 6.2938 6.8240 6.8240 6.9889 6.9889 7.0837 7.0837 7.3195 7.3195 7.4818 7.4818 7.8200 7.8200 8.0705 8.0705 8.3676 8.3676 8.5053 8.5053 9.2469 9.2469 9.4474 9.4474 9.6597 9.6597 9.7034 9.7034 10.0848 10.0848 10.3171 10.3171 10.5190 10.5190 10.5984 10.5984 10.6306 10.6306 10.8961 10.8961 11.0515 11.0515 11.1773 11.1773 11.8520 11.8520 12.1702 12.1702 13.0721 13.0721 13.5216 13.5216 15.0548 15.0548 15.5258 15.5258 15.6689 15.6689 15.8287 15.8287 k = 0.4535-0.0000-0.0000 ( 3870 PWs) bands (ev): 2.4806 2.4806 3.2261 3.2261 3.7603 3.7603 3.8197 3.8197 6.3538 6.3538 6.8393 6.8393 6.9466 6.9466 7.0675 7.0675 7.3144 7.3144 7.4544 7.4544 7.8540 7.8540 8.0556 8.0556 8.3723 8.3723 8.4834 8.4834 9.2751 9.2751 9.4439 9.4439 9.6752 9.6752 9.7164 9.7164 10.1270 10.1270 10.3297 10.3297 10.5491 10.5491 10.6051 10.6051 10.6233 10.6233 10.8982 10.8982 11.0574 11.0574 11.1191 11.1191 11.8043 11.8043 12.0713 12.0713 13.1093 13.1093 13.4698 13.4698 15.1255 15.1255 15.5219 15.5219 15.7009 15.7009 15.8516 15.8516 k = 0.4651-0.0000-0.0000 ( 3870 PWs) bands (ev): 2.5771 2.5771 3.1399 3.1399 3.7650 3.7650 3.8095 3.8095 6.4174 6.4174 6.8169 6.8169 6.9319 6.9319 7.0539 7.0539 7.3161 7.3161 7.4277 7.4277 7.8865 7.8865 8.0384 8.0384 8.3788 8.3788 8.4626 8.4626 9.3031 9.3031 9.4345 9.4345 9.6902 9.6902 9.7251 9.7251 10.1708 10.1708 10.3385 10.3385 10.5409 10.5409 10.5957 10.5957 10.6650 10.6650 10.9036 10.9036 11.0550 11.0550 11.0731 11.0731 11.7705 11.7705 11.9826 11.9826 13.1488 13.1488 13.4196 13.4196 15.1929 15.1929 15.4982 15.4982 15.7445 15.7445 15.8689 15.8689 k = 0.4767-0.0000-0.0000 ( 3876 PWs) bands (ev): 2.6736 2.6736 3.0504 3.0504 3.7705 3.7705 3.8001 3.8001 6.4838 6.4838 6.7595 6.7595 6.9478 6.9478 7.0377 7.0377 7.3244 7.3244 7.4021 7.4021 7.9172 7.9172 8.0188 8.0188 8.3874 8.3874 8.4435 8.4435 9.3304 9.3304 9.4202 9.4202 9.7039 9.7039 9.7291 9.7291 10.2149 10.2149 10.3384 10.3384 10.5281 10.5281 10.5751 10.5751 10.7248 10.7248 10.9028 10.9028 11.0282 11.0282 11.0581 11.0581 11.7559 11.7559 11.9053 11.9053 13.1901 13.1901 13.3708 13.3708 15.2564 15.2564 15.4629 15.4629 15.7891 15.7891 15.8771 15.8771 k = 0.4884-0.0000-0.0000 ( 3872 PWs) bands (ev): 2.7696 2.7696 2.9585 2.9585 3.7767 3.7767 3.7915 3.7915 6.5523 6.5523 6.6920 6.6920 6.9714 6.9714 7.0180 7.0180 7.3383 7.3383 7.3782 7.3782 7.9460 7.9460 7.9969 7.9969 8.3982 8.3982 8.4262 8.4262 9.3564 9.3564 9.4019 9.4019 9.7153 9.7153 9.7285 9.7285 10.2575 10.2575 10.3241 10.3241 10.5256 10.5256 10.5538 10.5538 10.7844 10.7844 10.8816 10.8816 11.0172 11.0172 11.0440 11.0440 11.7636 11.7636 11.8413 11.8413 13.2331 13.2331 13.3235 13.3235 15.3158 15.3158 15.4197 15.4197 15.8282 15.8282 15.8737 15.8737 k = 0.5000-0.0000-0.0000 ( 3874 PWs) bands (ev): 2.8647 2.8647 2.8647 2.8647 3.7837 3.7837 3.7837 3.7837 6.6221 6.6221 6.6221 6.6221 6.9955 6.9955 6.9955 6.9955 7.3566 7.3566 7.3566 7.3566 7.9726 7.9726 7.9726 7.9726 8.4111 8.4111 8.4111 8.4111 9.3804 9.3804 9.3804 9.3804 9.7238 9.7238 9.7238 9.7238 10.2955 10.2955 10.2955 10.2955 10.5356 10.5356 10.5356 10.5356 10.8388 10.8388 10.8388 10.8388 11.0272 11.0272 11.0272 11.0272 11.7930 11.7930 11.7930 11.7930 13.2776 13.2776 13.2776 13.2776 15.3704 15.3704 15.3704 15.3704 15.8572 15.8572 15.8572 15.8572 k = 0.5000-0.0000-0.0000 ( 3874 PWs) bands (ev): 2.8647 2.8647 2.8647 2.8647 3.7837 3.7837 3.7837 3.7837 6.6221 6.6221 6.6221 6.6221 6.9955 6.9955 6.9955 6.9955 7.3566 7.3566 7.3566 7.3566 7.9726 7.9726 7.9726 7.9726 8.4111 8.4111 8.4111 8.4111 9.3804 9.3804 9.3804 9.3804 9.7238 9.7238 9.7238 9.7238 10.2955 10.2955 10.2955 10.2955 10.5356 10.5356 10.5356 10.5356 10.8388 10.8388 10.8388 10.8388 11.0272 11.0272 11.0272 11.0272 11.7930 11.7930 11.7930 11.7930 13.2776 13.2776 13.2776 13.2776 15.3704 15.3704 15.3704 15.3704 15.8572 15.8572 15.8572 15.8572 k = 0.5000 0.0115-0.0000 ( 3868 PWs) bands (ev): 2.8656 2.8656 2.8656 2.8656 3.7831 3.7831 3.7831 3.7831 6.6195 6.6195 6.6195 6.6195 6.9982 6.9982 6.9982 6.9982 7.3596 7.3596 7.3596 7.3596 7.9719 7.9719 7.9719 7.9719 8.4108 8.4108 8.4108 8.4108 9.3753 9.3753 9.3753 9.3753 9.7215 9.7215 9.7215 9.7215 10.2972 10.2972 10.2972 10.2972 10.5327 10.5327 10.5327 10.5327 10.8414 10.8414 10.8414 10.8414 11.0283 11.0283 11.0283 11.0283 11.7927 11.7927 11.7927 11.7927 13.2804 13.2804 13.2804 13.2804 15.3645 15.3645 15.3645 15.3645 15.8493 15.8493 15.8493 15.8493 k = 0.5000 0.0231-0.0000 ( 3862 PWs) bands (ev): 2.8683 2.8683 2.8683 2.8683 3.7814 3.7814 3.7814 3.7814 6.6120 6.6120 6.6120 6.6120 7.0060 7.0060 7.0060 7.0060 7.3684 7.3684 7.3684 7.3684 7.9698 7.9698 7.9698 7.9698 8.4098 8.4098 8.4098 8.4098 9.3603 9.3603 9.3603 9.3603 9.7148 9.7148 9.7148 9.7148 10.3022 10.3022 10.3022 10.3022 10.5248 10.5248 10.5248 10.5248 10.8487 10.8487 10.8487 10.8487 11.0317 11.0317 11.0317 11.0317 11.7918 11.7918 11.7918 11.7918 13.2886 13.2886 13.2886 13.2886 15.3473 15.3473 15.3473 15.3473 15.8275 15.8275 15.8275 15.8275 k = 0.5000 0.0346-0.0000 ( 3878 PWs) bands (ev): 2.8728 2.8728 2.8728 2.8728 3.7784 3.7784 3.7784 3.7784 6.6005 6.6005 6.6005 6.6005 7.0180 7.0180 7.0180 7.0180 7.3831 7.3831 7.3831 7.3831 7.9663 7.9663 7.9663 7.9663 8.4081 8.4081 8.4081 8.4081 9.3359 9.3359 9.3359 9.3359 9.7039 9.7039 9.7039 9.7039 10.3096 10.3096 10.3096 10.3096 10.5132 10.5132 10.5132 10.5132 10.8588 10.8588 10.8588 10.8588 11.0377 11.0377 11.0377 11.0377 11.7902 11.7902 11.7902 11.7902 13.3024 13.3024 13.3024 13.3024 15.3199 15.3199 15.3199 15.3199 15.7960 15.7960 15.7960 15.7960 k = 0.5000 0.0461-0.0000 ( 3878 PWs) bands (ev): 2.8790 2.8790 2.8790 2.8790 3.7742 3.7742 3.7742 3.7742 6.5862 6.5862 6.5862 6.5862 7.0328 7.0328 7.0328 7.0328 7.4035 7.4035 7.4035 7.4035 7.9616 7.9616 7.9616 7.9616 8.4059 8.4059 8.4059 8.4059 9.3032 9.3032 9.3032 9.3032 9.6895 9.6895 9.6895 9.6895 10.3183 10.3183 10.3183 10.3183 10.4998 10.4998 10.4998 10.4998 10.8697 10.8697 10.8697 10.8697 11.0466 11.0466 11.0466 11.0466 11.7876 11.7876 11.7876 11.7876 13.3215 13.3215 13.3215 13.3215 15.2840 15.2840 15.2840 15.2840 15.7599 15.7599 15.7599 15.7599 k = 0.5000 0.0576-0.0000 ( 3878 PWs) bands (ev): 2.8869 2.8869 2.8869 2.8869 3.7689 3.7689 3.7689 3.7689 6.5703 6.5703 6.5703 6.5703 7.0492 7.0492 7.0492 7.0492 7.4294 7.4294 7.4294 7.4294 7.9555 7.9555 7.9555 7.9555 8.4031 8.4031 8.4031 8.4031 9.2635 9.2635 9.2635 9.2635 9.6717 9.6717 9.6717 9.6717 10.3268 10.3268 10.3268 10.3268 10.4861 10.4861 10.4861 10.4861 10.8793 10.8793 10.8793 10.8793 11.0589 11.0589 11.0589 11.0589 11.7839 11.7839 11.7839 11.7839 13.3458 13.3458 13.3458 13.3458 15.2414 15.2414 15.2414 15.2414 15.7237 15.7237 15.7237 15.7237 k = 0.5000 0.0692-0.0000 ( 3878 PWs) bands (ev): 2.8965 2.8965 2.8965 2.8965 3.7624 3.7624 3.7624 3.7624 6.5538 6.5538 6.5538 6.5538 7.0664 7.0664 7.0664 7.0664 7.4605 7.4605 7.4605 7.4605 7.9483 7.9483 7.9483 7.9483 8.3998 8.3998 8.3998 8.3998 9.2183 9.2183 9.2183 9.2183 9.6511 9.6511 9.6511 9.6511 10.3338 10.3338 10.3338 10.3338 10.4736 10.4736 10.4736 10.4736 10.8859 10.8859 10.8859 10.8859 11.0748 11.0748 11.0748 11.0748 11.7788 11.7788 11.7788 11.7788 13.3749 13.3749 13.3749 13.3749 15.1940 15.1940 15.1940 15.1940 15.6907 15.6907 15.6907 15.6907 k = 0.5000 0.0807-0.0000 ( 3870 PWs) bands (ev): 2.9078 2.9078 2.9078 2.9078 3.7548 3.7548 3.7548 3.7548 6.5375 6.5375 6.5375 6.5375 7.0835 7.0835 7.0835 7.0835 7.4962 7.4962 7.4962 7.4962 7.9401 7.9401 7.9401 7.9401 8.3961 8.3961 8.3961 8.3961 9.1690 9.1690 9.1690 9.1690 9.6277 9.6277 9.6277 9.6277 10.3381 10.3381 10.3381 10.3381 10.4635 10.4635 10.4635 10.4635 10.8887 10.8887 10.8887 10.8887 11.0940 11.0940 11.0940 11.0940 11.7725 11.7725 11.7725 11.7725 13.4083 13.4083 13.4083 13.4083 15.1431 15.1431 15.1431 15.1431 15.6637 15.6637 15.6637 15.6637 k = 0.5000 0.0922-0.0000 ( 3870 PWs) bands (ev): 2.9206 2.9206 2.9206 2.9206 3.7461 3.7461 3.7461 3.7461 6.5220 6.5220 6.5220 6.5220 7.0998 7.0998 7.0998 7.0998 7.5359 7.5359 7.5359 7.5359 7.9311 7.9311 7.9311 7.9311 8.3922 8.3922 8.3922 8.3922 9.1173 9.1173 9.1173 9.1173 9.6019 9.6019 9.6019 9.6019 10.3386 10.3386 10.3386 10.3386 10.4563 10.4563 10.4563 10.4563 10.8870 10.8870 10.8870 10.8870 11.1163 11.1163 11.1163 11.1163 11.7650 11.7650 11.7650 11.7650 13.4452 13.4452 13.4452 13.4452 15.0899 15.0899 15.0899 15.0899 15.6447 15.6447 15.6447 15.6447 k = 0.5000 0.1038-0.0000 ( 3874 PWs) bands (ev): 2.9349 2.9349 2.9349 2.9349 3.7363 3.7363 3.7363 3.7363 6.5079 6.5079 6.5079 6.5079 7.1150 7.1150 7.1150 7.1150 7.5787 7.5787 7.5787 7.5787 7.9216 7.9216 7.9216 7.9216 8.3882 8.3882 8.3882 8.3882 9.0646 9.0646 9.0646 9.0646 9.5738 9.5738 9.5738 9.5738 10.3353 10.3353 10.3353 10.3353 10.4520 10.4520 10.4520 10.4520 10.8808 10.8808 10.8808 10.8808 11.1409 11.1409 11.1409 11.1409 11.7568 11.7568 11.7568 11.7568 13.4848 13.4848 13.4848 13.4848 15.0352 15.0352 15.0352 15.0352 15.6355 15.6355 15.6355 15.6355 k = 0.5000 0.1153-0.0000 ( 3866 PWs) bands (ev): 2.9507 2.9507 2.9507 2.9507 3.7255 3.7255 3.7255 3.7255 6.4955 6.4955 6.4955 6.4955 7.1286 7.1286 7.1286 7.1286 7.6235 7.6235 7.6235 7.6235 7.9123 7.9123 7.9123 7.9123 8.3842 8.3842 8.3842 8.3842 9.0122 9.0122 9.0122 9.0122 9.5437 9.5437 9.5437 9.5437 10.3284 10.3284 10.3284 10.3284 10.4496 10.4496 10.4496 10.4496 10.8702 10.8702 10.8702 10.8702 11.1674 11.1674 11.1674 11.1674 11.7482 11.7482 11.7482 11.7482 13.5261 13.5261 13.5261 13.5261 14.9796 14.9796 14.9796 14.9796 15.6375 15.6375 15.6375 15.6375 k = 0.5000 0.1268-0.0000 ( 3862 PWs) bands (ev): 2.9679 2.9679 2.9679 2.9679 3.7136 3.7136 3.7136 3.7136 6.4852 6.4852 6.4852 6.4852 7.1400 7.1400 7.1400 7.1400 7.6690 7.6690 7.6690 7.6690 7.9041 7.9041 7.9041 7.9041 8.3804 8.3804 8.3804 8.3804 8.9614 8.9614 8.9614 8.9614 9.5119 9.5119 9.5119 9.5119 10.3184 10.3184 10.3184 10.3184 10.4482 10.4482 10.4482 10.4482 10.8552 10.8552 10.8552 10.8552 11.1953 11.1953 11.1953 11.1953 11.7398 11.7398 11.7398 11.7398 13.5680 13.5680 13.5680 13.5680 14.9237 14.9237 14.9237 14.9237 15.6518 15.6518 15.6518 15.6518 k = 0.5000 0.1384-0.0000 ( 3856 PWs) bands (ev): 2.9863 2.9863 2.9863 2.9863 3.7007 3.7007 3.7007 3.7007 6.4772 6.4772 6.4772 6.4772 7.1486 7.1486 7.1486 7.1486 7.7132 7.7132 7.7132 7.7132 7.8985 7.8985 7.8985 7.8985 8.3774 8.3774 8.3774 8.3774 8.9134 8.9134 8.9134 8.9134 9.4786 9.4786 9.4786 9.4786 10.3055 10.3055 10.3055 10.3055 10.4469 10.4469 10.4469 10.4469 10.8365 10.8365 10.8365 10.8365 11.2242 11.2242 11.2242 11.2242 11.7320 11.7320 11.7320 11.7320 13.6096 13.6096 13.6096 13.6096 14.8677 14.8677 14.8677 14.8677 15.6793 15.6793 15.6793 15.6793 k = 0.5000 0.1499-0.0000 ( 3856 PWs) bands (ev): 3.0059 3.0059 3.0059 3.0059 3.6869 3.6869 3.6869 3.6869 6.4718 6.4718 6.4718 6.4718 7.1539 7.1539 7.1539 7.1539 7.7526 7.7526 7.7526 7.7526 7.8985 7.8985 7.8985 7.8985 8.3753 8.3753 8.3753 8.3753 8.8691 8.8691 8.8691 8.8691 9.4445 9.4445 9.4445 9.4445 10.2894 10.2894 10.2894 10.2894 10.4454 10.4454 10.4454 10.4454 10.8145 10.8145 10.8145 10.8145 11.2537 11.2537 11.2537 11.2537 11.7253 11.7253 11.7253 11.7253 13.6500 13.6500 13.6500 13.6500 14.8119 14.8119 14.8119 14.8119 15.7202 15.7202 15.7202 15.7202 k = 0.5000 0.1614-0.0000 ( 3864 PWs) bands (ev): 3.0266 3.0266 3.0266 3.0266 3.6721 3.6721 3.6721 3.6721 6.4690 6.4690 6.4690 6.4690 7.1550 7.1550 7.1550 7.1550 7.7825 7.7825 7.7825 7.7825 7.9083 7.9083 7.9083 7.9083 8.3750 8.3750 8.3750 8.3750 8.8295 8.8295 8.8295 8.8295 9.4098 9.4098 9.4098 9.4098 10.2694 10.2694 10.2694 10.2694 10.4436 10.4436 10.4436 10.4436 10.7901 10.7901 10.7901 10.7901 11.2835 11.2835 11.2835 11.2835 11.7197 11.7197 11.7197 11.7197 13.6886 13.6886 13.6886 13.6886 14.7567 14.7567 14.7567 14.7567 15.7748 15.7748 15.7748 15.7748 k = 0.5000 0.1729-0.0000 ( 3864 PWs) bands (ev): 3.0483 3.0483 3.0483 3.0483 3.6563 3.6563 3.6563 3.6563 6.4691 6.4691 6.4691 6.4691 7.1513 7.1513 7.1513 7.1513 7.8003 7.8003 7.8003 7.8003 7.9298 7.9298 7.9298 7.9298 8.3771 8.3771 8.3771 8.3771 8.7953 8.7953 8.7953 8.7953 9.3752 9.3752 9.3752 9.3752 10.2445 10.2445 10.2445 10.2445 10.4418 10.4418 10.4418 10.4418 10.7644 10.7644 10.7644 10.7644 11.3134 11.3134 11.3134 11.3134 11.7156 11.7156 11.7156 11.7156 13.7251 13.7251 13.7251 13.7251 14.7021 14.7021 14.7021 14.7021 15.8428 15.8428 15.8428 15.8428 k = 0.5000 0.1845-0.0000 ( 3864 PWs) bands (ev): 3.0709 3.0709 3.0709 3.0709 3.6397 3.6397 3.6397 3.6397 6.4721 6.4721 6.4721 6.4721 7.1423 7.1423 7.1423 7.1423 7.8096 7.8096 7.8096 7.8096 7.9582 7.9582 7.9582 7.9582 8.3827 8.3827 8.3827 8.3827 8.7669 8.7669 8.7669 8.7669 9.3413 9.3413 9.3413 9.3413 10.2138 10.2138 10.2138 10.2138 10.4402 10.4402 10.4402 10.4402 10.7385 10.7385 10.7385 10.7385 11.3431 11.3431 11.3431 11.3431 11.7126 11.7126 11.7126 11.7126 13.7594 13.7594 13.7594 13.7594 14.6484 14.6484 14.6484 14.6484 15.9238 15.9238 15.9238 15.9238 k = 0.5000 0.1960-0.0000 ( 3868 PWs) bands (ev): 3.0943 3.0943 3.0943 3.0943 3.6223 3.6223 3.6223 3.6223 6.4781 6.4781 6.4781 6.4781 7.1277 7.1277 7.1277 7.1277 7.8159 7.8159 7.8159 7.8159 7.9867 7.9867 7.9867 7.9867 8.3926 8.3926 8.3926 8.3926 8.7448 8.7448 8.7448 8.7448 9.3091 9.3091 9.3091 9.3091 10.1765 10.1765 10.1765 10.1765 10.4392 10.4392 10.4392 10.4392 10.7134 10.7134 10.7134 10.7134 11.3725 11.3725 11.3725 11.3725 11.7108 11.7108 11.7108 11.7108 13.7915 13.7915 13.7915 13.7915 14.5957 14.5957 14.5957 14.5957 16.0169 16.0169 16.0169 16.0169 k = 0.5000 0.2075-0.0000 ( 3876 PWs) bands (ev): 3.1183 3.1183 3.1183 3.1183 3.6040 3.6040 3.6040 3.6040 6.4872 6.4872 6.4872 6.4872 7.1076 7.1076 7.1076 7.1076 7.8227 7.8227 7.8227 7.8227 8.0108 8.0108 8.0108 8.0108 8.4073 8.4073 8.4073 8.4073 8.7288 8.7288 8.7288 8.7288 9.2797 9.2797 9.2797 9.2797 10.1323 10.1323 10.1323 10.1323 10.4392 10.4392 10.4392 10.4392 10.6898 10.6898 10.6898 10.6898 11.4011 11.4011 11.4011 11.4011 11.7097 11.7097 11.7097 11.7097 13.8217 13.8217 13.8217 13.8217 14.5442 14.5442 14.5442 14.5442 16.1214 16.1214 16.1214 16.1214 k = 0.5000 0.2191-0.0000 ( 3874 PWs) bands (ev): 3.1428 3.1428 3.1428 3.1428 3.5849 3.5849 3.5849 3.5849 6.4994 6.4994 6.4994 6.4994 7.0821 7.0821 7.0821 7.0821 7.8313 7.8313 7.8313 7.8313 8.0282 8.0282 8.0282 8.0282 8.4267 8.4267 8.4267 8.4267 8.7187 8.7187 8.7187 8.7187 9.2543 9.2543 9.2543 9.2543 10.0813 10.0813 10.0813 10.0813 10.4400 10.4400 10.4400 10.4400 10.6682 10.6682 10.6682 10.6682 11.4288 11.4288 11.4288 11.4288 11.7090 11.7090 11.7090 11.7090 13.8503 13.8503 13.8503 13.8503 14.4941 14.4941 14.4941 14.4941 16.2363 16.2363 16.2363 16.2363 k = 0.5000 0.2306-0.0000 ( 3874 PWs) bands (ev): 3.1677 3.1677 3.1677 3.1677 3.5652 3.5652 3.5652 3.5652 6.5147 6.5147 6.5147 6.5147 7.0521 7.0521 7.0521 7.0521 7.8421 7.8421 7.8421 7.8421 8.0385 8.0385 8.0385 8.0385 8.4494 8.4494 8.4494 8.4494 8.7135 8.7135 8.7135 8.7135 9.2349 9.2349 9.2349 9.2349 10.0243 10.0243 10.0243 10.0243 10.4419 10.4419 10.4419 10.4419 10.6488 10.6488 10.6488 10.6488 11.4554 11.4554 11.4554 11.4554 11.7086 11.7086 11.7086 11.7086 13.8779 13.8779 13.8779 13.8779 14.4455 14.4455 14.4455 14.4455 16.3605 16.3605 16.3605 16.3605 k = 0.5000 0.2421-0.0000 ( 3882 PWs) bands (ev): 3.1929 3.1929 3.1929 3.1929 3.5447 3.5447 3.5447 3.5447 6.5331 6.5331 6.5331 6.5331 7.0182 7.0182 7.0182 7.0182 7.8551 7.8551 7.8551 7.8551 8.0424 8.0424 8.0424 8.0424 8.4739 8.4739 8.4739 8.4739 8.7116 8.7116 8.7116 8.7116 9.2236 9.2236 9.2236 9.2236 9.9620 9.9620 9.9620 9.9620 10.4446 10.4446 10.4446 10.4446 10.6315 10.6315 10.6315 10.6315 11.4805 11.4805 11.4805 11.4805 11.7080 11.7080 11.7080 11.7080 13.9049 13.9049 13.9049 13.9049 14.3984 14.3984 14.3984 14.3984 16.4930 16.4930 16.4930 16.4930 k = 0.5000 0.2537-0.0000 ( 3880 PWs) bands (ev): 3.2182 3.2182 3.2182 3.2182 3.5237 3.5237 3.5237 3.5237 6.5546 6.5546 6.5546 6.5546 6.9813 6.9813 6.9813 6.9813 7.8699 7.8699 7.8699 7.8699 8.0410 8.0410 8.0410 8.0410 8.4987 8.4987 8.4987 8.4987 8.7106 8.7106 8.7106 8.7106 9.2226 9.2226 9.2226 9.2226 9.8956 9.8956 9.8956 9.8956 10.4481 10.4481 10.4481 10.4481 10.6162 10.6162 10.6162 10.6162 11.5038 11.5038 11.5038 11.5038 11.7070 11.7070 11.7070 11.7070 13.9317 13.9317 13.9317 13.9317 14.3530 14.3530 14.3530 14.3530 16.6329 16.6329 16.6329 16.6329 k = 0.5000 0.2652-0.0000 ( 3880 PWs) bands (ev): 3.2435 3.2435 3.2435 3.2435 3.5022 3.5022 3.5022 3.5022 6.5791 6.5791 6.5791 6.5791 6.9423 6.9423 6.9423 6.9423 7.8860 7.8860 7.8860 7.8860 8.0355 8.0355 8.0355 8.0355 8.5229 8.5229 8.5229 8.5229 8.7080 8.7080 8.7080 8.7080 9.2339 9.2339 9.2339 9.2339 9.8263 9.8263 9.8263 9.8263 10.4520 10.4520 10.4520 10.4520 10.6029 10.6029 10.6029 10.6029 11.5250 11.5250 11.5250 11.5250 11.7055 11.7055 11.7055 11.7055 13.9586 13.9586 13.9586 13.9586 14.3095 14.3095 14.3095 14.3095 16.7793 16.7793 16.7793 16.7793 k = 0.5000 0.2767-0.0000 ( 3868 PWs) bands (ev): 3.2684 3.2684 3.2684 3.2684 3.4804 3.4804 3.4804 3.4804 6.6063 6.6063 6.6063 6.6063 6.9021 6.9021 6.9021 6.9021 7.9029 7.9029 7.9029 7.9029 8.0269 8.0269 8.0269 8.0269 8.5464 8.5464 8.5464 8.5464 8.7017 8.7017 8.7017 8.7017 9.2581 9.2581 9.2581 9.2581 9.7552 9.7552 9.7552 9.7552 10.4560 10.4560 10.4560 10.4560 10.5916 10.5916 10.5916 10.5916 11.5437 11.5437 11.5437 11.5437 11.7036 11.7036 11.7036 11.7036 13.9860 13.9860 13.9860 13.9860 14.2679 14.2679 14.2679 14.2679 16.9311 16.9311 16.9311 16.9311 k = 0.5000 0.2882-0.0000 ( 3862 PWs) bands (ev): 3.2926 3.2926 3.2926 3.2926 3.4587 3.4587 3.4587 3.4587 6.6363 6.6363 6.6363 6.6363 6.8614 6.8614 6.8614 6.8614 7.9202 7.9202 7.9202 7.9202 8.0159 8.0159 8.0159 8.0159 8.5692 8.5692 8.5692 8.5692 8.6909 8.6909 8.6909 8.6909 9.2943 9.2943 9.2943 9.2943 9.6837 9.6837 9.6837 9.6837 10.4599 10.4599 10.4599 10.4599 10.5823 10.5823 10.5823 10.5823 11.5594 11.5594 11.5594 11.5594 11.7013 11.7013 11.7013 11.7013 14.0140 14.0140 14.0140 14.0140 14.2285 14.2285 14.2285 14.2285 17.0876 17.0876 17.0876 17.0876 k = 0.5000 0.2998-0.0000 ( 3866 PWs) bands (ev): 3.3152 3.3152 3.3152 3.3152 3.4379 3.4379 3.4379 3.4379 6.6687 6.6687 6.6687 6.6687 6.8211 6.8211 6.8211 6.8211 7.9373 7.9373 7.9373 7.9373 8.0032 8.0032 8.0032 8.0032 8.5916 8.5916 8.5916 8.5916 8.6762 8.6762 8.6762 8.6762 9.3403 9.3403 9.3403 9.3403 9.6137 9.6137 9.6137 9.6137 10.4632 10.4632 10.4632 10.4632 10.5753 10.5753 10.5753 10.5753 11.5715 11.5715 11.5715 11.5715 11.6990 11.6990 11.6990 11.6990 14.0423 14.0423 14.0423 14.0423 14.1919 14.1919 14.1919 14.1919 17.2477 17.2477 17.2477 17.2477 k = 0.5000 0.3113-0.0000 ( 3868 PWs) bands (ev): 3.3339 3.3339 3.3339 3.3339 3.4204 3.4204 3.4204 3.4204 6.7027 6.7027 6.7027 6.7027 6.7821 6.7821 6.7821 6.7821 7.9535 7.9535 7.9535 7.9535 7.9896 7.9896 7.9896 7.9896 8.6130 8.6130 8.6130 8.6130 8.6587 8.6587 8.6587 8.6587 9.3910 9.3910 9.3910 9.3910 9.5490 9.5490 9.5490 9.5490 10.4654 10.4654 10.4654 10.4654 10.5709 10.5709 10.5709 10.5709 11.5792 11.5792 11.5792 11.5792 11.6973 11.6973 11.6973 11.6973 14.0690 14.0690 14.0690 14.0690 14.1601 14.1601 14.1601 14.1601 17.4104 17.4104 17.4104 17.4104 k = 0.5000 0.3228-0.0000 ( 3876 PWs) bands (ev): 3.3422 3.3422 3.3422 3.3422 3.4125 3.4125 3.4125 3.4125 6.7296 6.7296 6.7296 6.7296 6.7535 6.7535 6.7535 6.7535 7.9639 7.9639 7.9639 7.9639 7.9802 7.9802 7.9802 7.9802 8.6276 8.6276 8.6276 8.6276 8.6454 8.6454 8.6454 8.6454 9.4236 9.4236 9.4236 9.4236 9.5118 9.5118 9.5118 9.5118 10.4662 10.4662 10.4662 10.4662 10.5693 10.5693 10.5693 10.5693 11.5818 11.5818 11.5818 11.5818 11.6967 11.6967 11.6967 11.6967 14.0835 14.0835 14.0835 14.0835 14.1438 14.1438 14.1438 14.1438 17.5689 17.5689 17.5689 17.5689 k = 0.5000 0.3228-0.0000 ( 3876 PWs) bands (ev): 3.3422 3.3422 3.3422 3.3422 3.4125 3.4125 3.4125 3.4125 6.7296 6.7296 6.7296 6.7296 6.7535 6.7535 6.7535 6.7535 7.9639 7.9639 7.9639 7.9639 7.9802 7.9802 7.9802 7.9802 8.6276 8.6276 8.6276 8.6276 8.6454 8.6454 8.6454 8.6454 9.4236 9.4236 9.4236 9.4236 9.5118 9.5118 9.5118 9.5118 10.4662 10.4662 10.4662 10.4662 10.5693 10.5693 10.5693 10.5693 11.5818 11.5818 11.5818 11.5818 11.6967 11.6967 11.6967 11.6967 14.0835 14.0835 14.0835 14.0835 14.1438 14.1438 14.1438 14.1438 17.5689 17.5689 17.5690 17.5690 k = 0.4884 0.3228-0.0000 ( 3862 PWs) bands (ev): 3.2909 3.2909 3.3569 3.3569 3.3912 3.3912 3.4657 3.4657 6.7050 6.7050 6.7312 6.7312 6.7565 6.7565 6.7784 6.7784 7.9354 7.9354 7.9613 7.9613 7.9931 7.9931 7.9985 7.9985 8.6190 8.6190 8.6359 8.6359 8.6373 8.6373 8.6560 8.6560 9.3843 9.3843 9.4576 9.4576 9.4690 9.4690 9.5515 9.5515 10.4575 10.4575 10.4761 10.4761 10.5465 10.5465 10.5904 10.5904 11.5731 11.5731 11.5980 11.5980 11.6762 11.6762 11.7228 11.7228 14.0665 14.0665 14.1021 14.1021 14.1128 14.1128 14.1762 14.1762 17.4598 17.4598 17.4782 17.4782 k = 0.4767 0.3228-0.0000 ( 3874 PWs) bands (ev): 3.2375 3.2375 3.2994 3.2994 3.4377 3.4377 3.5165 3.5165 6.6825 6.6825 6.7114 6.7114 6.7855 6.7855 6.8058 6.8058 7.9079 7.9079 7.9423 7.9423 8.0160 8.0160 8.0228 8.0228 8.6113 8.6113 8.6271 8.6271 8.6479 8.6479 8.6680 8.6680 9.3409 9.3409 9.4240 9.4240 9.4857 9.4857 9.5872 9.5872 10.4500 10.4500 10.4872 10.4872 10.5226 10.5226 10.6092 10.6092 11.5719 11.5719 11.6215 11.6215 11.6615 11.6615 11.7545 11.7545 14.0515 14.0515 14.0835 14.0835 14.1218 14.1218 14.2096 14.2096 17.3532 17.3532 17.3791 17.3791 k = 0.4651 0.3228-0.0000 ( 3870 PWs) bands (ev): 3.1822 3.1822 3.2401 3.2401 3.4815 3.4815 3.5645 3.5645 6.6623 6.6623 6.6943 6.6943 6.8165 6.8165 6.8356 6.8356 7.8816 7.8816 7.9235 7.9235 8.0320 8.0320 8.0524 8.0524 8.6047 8.6047 8.6189 8.6189 8.6592 8.6592 8.6816 8.6816 9.2946 9.2946 9.3777 9.3777 9.5074 9.5074 9.6182 9.6182 10.4434 10.4434 10.4983 10.4983 10.4995 10.4995 10.6255 10.6255 11.5779 11.5779 11.6515 11.6515 11.6524 11.6524 11.7912 11.7912 14.0390 14.0390 14.0561 14.0561 14.1424 14.1424 14.2438 14.2438 17.2497 17.2497 17.2834 17.2834 k = 0.4535 0.3228-0.0000 ( 3882 PWs) bands (ev): 3.1252 3.1252 3.1792 3.1792 3.5225 3.5225 3.6096 3.6096 6.6443 6.6443 6.6797 6.6797 6.8495 6.8495 6.8677 6.8677 7.8568 7.8568 7.9052 7.9052 8.0462 8.0462 8.0817 8.0817 8.5990 8.5990 8.6108 8.6108 8.6709 8.6709 8.6969 8.6969 9.2469 9.2469 9.3312 9.3312 9.5227 9.5227 9.6441 9.6441 10.4376 10.4376 10.4743 10.4743 10.5130 10.5130 10.6396 10.6396 11.5907 11.5907 11.6487 11.6487 11.6873 11.6873 11.8322 11.8322 14.0296 14.0296 14.0312 14.0312 14.1636 14.1636 14.2787 14.2787 17.1495 17.1495 17.1915 17.1915 k = 0.4419 0.3228-0.0000 ( 3880 PWs) bands (ev): 3.0669 3.0669 3.1171 3.1171 3.5605 3.5605 3.6515 3.6515 6.6286 6.6286 6.6677 6.6677 6.8842 6.8842 6.9019 6.9019 7.8335 7.8335 7.8877 7.8877 8.0580 8.0580 8.1101 8.1101 8.5940 8.5940 8.6025 8.6025 8.6825 8.6825 8.7141 8.7141 9.1999 9.1999 9.2858 9.2858 9.5317 9.5317 9.6643 9.6643 10.4319 10.4319 10.4513 10.4513 10.5278 10.5278 10.6518 10.6518 11.6095 11.6095 11.6498 11.6498 11.7277 11.7277 11.8768 11.8768 14.0093 14.0093 14.0239 14.0239 14.1853 14.1853 14.3141 14.3141 17.0532 17.0532 17.1039 17.1039 k = 0.4302 0.3228-0.0000 ( 3884 PWs) bands (ev): 3.0074 3.0074 3.0540 3.0540 3.5954 3.5954 3.6902 3.6902 6.6151 6.6151 6.6581 6.6581 6.9207 6.9207 6.9381 6.9381 7.8119 7.8119 7.8710 7.8710 8.0671 8.0671 8.1370 8.1370 8.5891 8.5891 8.5937 8.5937 8.6934 8.6934 8.7334 8.7334 9.1558 9.1558 9.2425 9.2425 9.5350 9.5350 9.6788 9.6788 10.4260 10.4260 10.4297 10.4297 10.5439 10.5439 10.6626 10.6626 11.6336 11.6336 11.6553 11.6553 11.7713 11.7713 11.9239 11.9239 13.9908 13.9908 14.0225 14.0225 14.2074 14.2074 14.3500 14.3500 16.9610 16.9610 17.0210 17.0210 k = 0.4186 0.3228-0.0000 ( 3884 PWs) bands (ev): 2.9469 2.9469 2.9901 2.9901 3.6272 3.6272 3.7256 3.7256 6.6037 6.6037 6.6508 6.6508 6.9585 6.9585 6.9760 6.9760 7.7919 7.7919 7.8553 7.8553 8.0730 8.0730 8.1620 8.1620 8.5839 8.5839 8.5841 8.5841 8.7029 8.7029 8.7548 8.7548 9.1173 9.1173 9.2024 9.2024 9.5334 9.5334 9.6876 9.6876 10.4097 10.4097 10.4194 10.4194 10.5614 10.5614 10.6727 10.6727 11.6624 11.6624 11.6646 11.6646 11.8168 11.8168 11.9724 11.9724 13.9763 13.9763 14.0260 14.0260 14.2300 14.2300 14.3862 14.3862 16.8735 16.8735 16.9432 16.9432 k = 0.4070 0.3228-0.0000 ( 3880 PWs) bands (ev): 2.8857 2.8857 2.9257 2.9257 3.6559 3.6559 3.7574 3.7574 6.5943 6.5943 6.6459 6.6459 6.9977 6.9977 7.0154 7.0154 7.7736 7.7736 7.8406 7.8406 8.0756 8.0756 8.1841 8.1841 8.5735 8.5735 8.5772 8.5772 8.7104 8.7104 8.7781 8.7781 9.0873 9.0873 9.1666 9.1666 9.5275 9.5275 9.6912 9.6912 10.3913 10.3913 10.4118 10.4118 10.5799 10.5799 10.6827 10.6827 11.6770 11.6770 11.6949 11.6949 11.8627 11.8627 12.0210 12.0210 13.9663 13.9663 14.0349 14.0349 14.2534 14.2534 14.4227 14.4227 16.7910 16.7910 16.8712 16.8712 k = 0.3953 0.3228-0.0000 ( 3876 PWs) bands (ev): 2.8240 2.8240 2.8609 2.8609 3.6813 3.6813 3.7857 3.7857 6.5870 6.5870 6.6430 6.6430 7.0379 7.0379 7.0559 7.0559 7.7569 7.7569 7.8268 7.8268 8.0746 8.0746 8.2029 8.2029 8.5617 8.5617 8.5681 8.5681 8.7156 8.7156 8.8033 8.8033 9.0682 9.0682 9.1359 9.1359 9.5185 9.5185 9.6902 9.6902 10.3743 10.3743 10.4031 10.4031 10.5994 10.5994 10.6931 10.6931 11.6919 11.6919 11.7304 11.7304 11.9077 11.9077 12.0686 12.0686 13.9611 13.9611 14.0492 14.0492 14.2782 14.2782 14.4598 14.4598 16.7140 16.7140 16.8054 16.8054 k = 0.3837 0.3228-0.0000 ( 3884 PWs) bands (ev): 2.7620 2.7620 2.7960 2.7960 3.7036 3.7036 3.8105 3.8105 6.5815 6.5815 6.6421 6.6421 7.0788 7.0788 7.0971 7.0971 7.7417 7.7417 7.8137 7.8137 8.0702 8.0702 8.2172 8.2172 8.5490 8.5490 8.5558 8.5558 8.7195 8.7195 8.8301 8.8301 9.0613 9.0613 9.1108 9.1108 9.5071 9.5071 9.6853 9.6853 10.3585 10.3585 10.3931 10.3931 10.6196 10.6196 10.7043 10.7043 11.7084 11.7084 11.7679 11.7679 11.9507 11.9507 12.1142 12.1142 13.9611 13.9611 14.0685 14.0685 14.3053 14.3053 14.4974 14.4974 16.6430 16.6430 16.7466 16.7466 k = 0.3721 0.3228-0.0000 ( 3900 PWs) bands (ev): 2.7000 2.7000 2.7313 2.7313 3.7228 3.7228 3.8317 3.8317 6.5778 6.5778 6.6430 6.6430 7.1202 7.1202 7.1389 7.1389 7.7278 7.7278 7.8010 7.8010 8.0629 8.0629 8.2263 8.2263 8.5357 8.5357 8.5407 8.5407 8.7234 8.7234 8.8582 8.8582 9.0661 9.0661 9.0916 9.0916 9.4943 9.4943 9.6773 9.6773 10.3434 10.3434 10.3819 10.3819 10.6399 10.6399 10.7165 10.7165 11.7259 11.7259 11.8063 11.8063 11.9911 11.9911 12.1571 12.1571 13.9662 13.9662 14.0915 14.0915 14.3362 14.3362 14.5359 14.5359 16.5785 16.5785 16.6952 16.6952 k = 0.3605 0.3228-0.0000 ( 3882 PWs) bands (ev): 2.6381 2.6381 2.6669 2.6669 3.7390 3.7390 3.8494 3.8494 6.5756 6.5756 6.6454 6.6454 7.1618 7.1618 7.1806 7.1806 7.7150 7.7150 7.7882 7.7882 8.0534 8.0534 8.2290 8.2290 8.5221 8.5221 8.5248 8.5248 8.7283 8.7283 8.8871 8.8871 9.0784 9.0784 9.0810 9.0810 9.4810 9.4810 9.6673 9.6673 10.3289 10.3289 10.3697 10.3697 10.6602 10.6602 10.7299 10.7299 11.7435 11.7435 11.8441 11.8441 12.0291 12.0291 12.1969 12.1969 13.9760 13.9760 14.1163 14.1163 14.3734 14.3734 14.5757 14.5757 16.5211 16.5211 16.6520 16.6520 k = 0.3488 0.3228-0.0000 ( 3882 PWs) bands (ev): 2.5765 2.5765 2.6030 2.6030 3.7523 3.7523 3.8638 3.8638 6.5749 6.5749 6.6492 6.6492 7.2033 7.2033 7.2218 7.2218 7.7030 7.7030 7.7750 7.7750 8.0428 8.0428 8.2247 8.2247 8.5087 8.5087 8.5106 8.5106 8.7348 8.7348 8.9164 8.9164 9.0708 9.0708 9.1039 9.1039 9.4681 9.4681 9.6561 9.6561 10.3148 10.3148 10.3567 10.3567 10.6801 10.6801 10.7442 10.7442 11.7603 11.7603 11.8792 11.8792 12.0657 12.0657 12.2336 12.2336 13.9898 13.9898 14.1398 14.1398 14.4193 14.4193 14.6175 14.6175 16.4712 16.4712 16.6175 16.6175 k = 0.3372 0.3228-0.0000 ( 3882 PWs) bands (ev): 2.5155 2.5155 2.5397 2.5397 3.7628 3.7628 3.8749 3.8749 6.5753 6.5753 6.6541 6.6541 7.2443 7.2443 7.2621 7.2621 7.6916 7.6916 7.7607 7.7607 8.0324 8.0324 8.2135 8.2135 8.4958 8.4958 8.5004 8.5004 8.7425 8.7425 8.9454 8.9454 9.0686 9.0686 9.1327 9.1327 9.4564 9.4564 9.6444 9.6444 10.3008 10.3008 10.3429 10.3429 10.6992 10.6992 10.7595 10.7595 11.7753 11.7753 11.9086 11.9086 12.1031 12.1031 12.2678 12.2678 14.0063 14.0063 14.1596 14.1596 14.4761 14.4761 14.6622 14.6622 16.4294 16.4294 16.5921 16.5921 k = 0.3256 0.3228-0.0000 ( 3882 PWs) bands (ev): 2.4552 2.4552 2.4773 2.4773 3.7707 3.7707 3.8828 3.8828 6.5766 6.5766 6.6597 6.6597 7.2845 7.2845 7.3009 7.3009 7.6806 7.6806 7.7451 7.7451 8.0235 8.0235 8.1968 8.1968 8.4836 8.4836 8.4950 8.4950 8.7509 8.7509 8.9734 8.9734 9.0718 9.0718 9.1657 9.1657 9.4468 9.4468 9.6330 9.6330 10.2871 10.2871 10.3286 10.3286 10.7173 10.7173 10.7756 10.7756 11.7877 11.7877 11.9295 11.9295 12.1440 12.1440 12.3003 12.3003 14.0240 14.0240 14.1741 14.1741 14.5447 14.5447 14.7107 14.7107 16.3962 16.3962 16.5763 16.5763 k = 0.3140 0.3228-0.0000 ( 3886 PWs) bands (ev): 2.3957 2.3957 2.4159 2.4159 3.7761 3.7761 3.8879 3.8879 6.5786 6.5786 6.6658 6.6658 7.3235 7.3235 7.3376 7.3376 7.6697 7.6697 7.7281 7.7281 8.0172 8.0172 8.1765 8.1765 8.4722 8.4722 8.4942 8.4942 8.7593 8.7593 8.9994 8.9994 9.0801 9.0801 9.2015 9.2015 9.4404 9.4404 9.6226 9.6226 10.2736 10.2736 10.3140 10.3140 10.7340 10.7340 10.7921 10.7921 11.7965 11.7965 11.9401 11.9401 12.1903 12.1903 12.3323 12.3323 14.0409 14.0409 14.1825 14.1825 14.6248 14.6248 14.7641 14.7641 16.3718 16.3718 16.5703 16.5703 k = 0.3023 0.3228-0.0000 ( 3874 PWs) bands (ev): 2.3372 2.3372 2.3557 2.3557 3.7793 3.7793 3.8902 3.8902 6.5810 6.5810 6.6720 6.6720 7.3608 7.3608 7.3715 7.3715 7.6591 7.6591 7.7105 7.7105 8.0142 8.0142 8.1551 8.1551 8.4618 8.4618 8.4970 8.4970 8.7671 8.7671 9.0227 9.0227 9.0934 9.0934 9.2384 9.2384 9.4381 9.4381 9.6135 9.6135 10.2604 10.2604 10.2993 10.2993 10.7493 10.7493 10.8089 10.8089 11.8009 11.8009 11.9403 11.9403 12.2424 12.2424 12.3651 12.3651 14.0555 14.0555 14.1853 14.1853 14.7151 14.7151 14.8236 14.8236 16.3567 16.3567 16.5739 16.5739 k = 0.2907 0.3228-0.0000 ( 3862 PWs) bands (ev): 2.2799 2.2799 2.2967 2.2967 3.7804 3.7804 3.8899 3.8899 6.5835 6.5835 6.6778 6.6778 7.3958 7.3958 7.4018 7.4018 7.6493 7.6493 7.6934 7.6934 8.0148 8.0148 8.1344 8.1344 8.4521 8.4521 8.5026 8.5026 8.7739 8.7739 9.0435 9.0435 9.1108 9.1108 9.2749 9.2749 9.4413 9.4413 9.6062 9.6062 10.2476 10.2476 10.2846 10.2846 10.7628 10.7628 10.8257 10.8257 11.8004 11.8004 11.9311 11.9311 12.3000 12.3000 12.3999 12.3999 14.0662 14.0662 14.1829 14.1829 14.8141 14.8141 14.8898 14.8898 16.3507 16.3507 16.5868 16.5868 k = 0.2791 0.3228-0.0000 ( 3858 PWs) bands (ev): 2.2238 2.2238 2.2392 2.2392 3.7796 3.7796 3.8874 3.8874 6.5858 6.5858 6.6827 6.6827 7.4274 7.4274 7.4275 7.4275 7.6410 7.6410 7.6786 7.6786 8.0187 8.0187 8.1157 8.1157 8.4433 8.4433 8.5101 8.5101 8.7794 8.7794 9.0625 9.0625 9.1307 9.1307 9.3090 9.3090 9.4514 9.4514 9.6009 9.6009 10.2353 10.2353 10.2701 10.2701 10.7743 10.7743 10.8424 10.8424 11.7946 11.7946 11.9138 11.9138 12.3624 12.3624 12.4377 12.4377 14.0720 14.0720 14.1760 14.1760 14.9201 14.9201 14.9631 14.9631 16.3540 16.3540 16.6083 16.6083 k = 0.2674 0.3228-0.0000 ( 3858 PWs) bands (ev): 2.1692 2.1692 2.1832 2.1832 3.7772 3.7772 3.8827 3.8827 6.5874 6.5874 6.6865 6.6865 7.4471 7.4471 7.4545 7.4545 7.6360 7.6360 7.6683 7.6683 8.0253 8.0253 8.0998 8.0998 8.4354 8.4354 8.5190 8.5190 8.7832 8.7832 9.0810 9.0810 9.1514 9.1514 9.3390 9.3390 9.4698 9.4698 9.5979 9.5979 10.2236 10.2236 10.2560 10.2560 10.7838 10.7838 10.8589 10.8589 11.7837 11.7837 11.8897 11.8897 12.4290 12.4290 12.4792 12.4792 14.0726 14.0726 14.1652 14.1652 15.0318 15.0318 15.0436 15.0436 16.3661 16.3661 16.6375 16.6375 k = 0.2558 0.3228-0.0000 ( 3858 PWs) bands (ev): 2.1162 2.1162 2.1288 2.1288 3.7733 3.7733 3.8763 3.8763 6.5882 6.5882 6.6885 6.6885 7.4603 7.4603 7.4750 7.4750 7.6365 7.6365 7.6643 7.6643 8.0339 8.0339 8.0869 8.0869 8.4285 8.4285 8.5289 8.5289 8.7856 8.7856 9.0996 9.0996 9.1715 9.1715 9.3646 9.3646 9.4961 9.4961 9.5971 9.5971 10.2126 10.2126 10.2425 10.2425 10.7911 10.7911 10.8749 10.8749 11.7679 11.7679 11.8599 11.8599 12.4993 12.4993 12.5250 12.5250 14.0681 14.0681 14.1512 14.1512 15.1307 15.1307 15.1477 15.1477 16.3866 16.3866 16.6728 16.6728 k = 0.2442 0.3228-0.0000 ( 3862 PWs) bands (ev): 2.0648 2.0648 2.0762 2.0762 3.7682 3.7682 3.8682 3.8682 6.5878 6.5878 6.6884 6.6884 7.4673 7.4673 7.4876 7.4876 7.6444 7.6444 7.6670 7.6670 8.0439 8.0439 8.0769 8.0769 8.4227 8.4227 8.5392 8.5392 8.7866 8.7866 9.1189 9.1189 9.1902 9.1902 9.3870 9.3870 9.5283 9.5283 9.5985 9.5985 10.2024 10.2024 10.2298 10.2298 10.7961 10.7961 10.8903 10.8903 11.7477 11.7477 11.8254 11.8254 12.5732 12.5732 12.5751 12.5751 14.0591 14.0591 14.1348 14.1348 15.2238 15.2238 15.2667 15.2667 16.4146 16.4146 16.7126 16.7126 k = 0.2326 0.3228-0.0000 ( 3862 PWs) bands (ev): 2.0151 2.0151 2.0255 2.0255 3.7620 3.7620 3.8588 3.8588 6.5860 6.5860 6.6859 6.6859 7.4701 7.4701 7.4930 7.4930 7.6595 7.6595 7.6755 7.6755 8.0545 8.0545 8.0695 8.0695 8.4182 8.4182 8.5499 8.5499 8.7867 8.7867 9.1388 9.1388 9.2069 9.2069 9.4082 9.4082 9.5635 9.5635 9.6020 9.6020 10.1930 10.1930 10.2182 10.2182 10.7987 10.7987 10.9051 10.9051 11.7239 11.7239 11.7871 11.7871 12.6294 12.6294 12.6501 12.6501 14.0467 14.0467 14.1168 14.1168 15.3221 15.3221 15.3877 15.3877 16.4490 16.4490 16.7547 16.7547 k = 0.2209 0.3228-0.0000 ( 3872 PWs) bands (ev): 1.9673 1.9673 1.9767 1.9767 3.7549 3.7549 3.8482 3.8482 6.5826 6.5826 6.6806 6.6806 7.4710 7.4710 7.4939 7.4939 7.6799 7.6799 7.6880 7.6880 8.0643 8.0643 8.0648 8.0648 8.4154 8.4154 8.5605 8.5605 8.7861 8.7861 9.1594 9.1594 9.2216 9.2216 9.4294 9.4294 9.5995 9.5995 9.6074 9.6074 10.1847 10.1847 10.2078 10.2078 10.7990 10.7990 10.9192 10.9192 11.6970 11.6970 11.7457 11.7457 12.6878 12.6878 12.7298 12.7298 14.0318 14.0318 14.0981 14.0981 15.4249 15.4249 15.5097 15.5097 16.4883 16.4883 16.7964 16.7964 k = 0.2093 0.3228-0.0000 ( 3872 PWs) bands (ev): 1.9215 1.9215 1.9300 1.9300 3.7472 3.7472 3.8366 3.8366 6.5775 6.5775 6.6727 6.6727 7.4723 7.4723 7.4929 7.4929 7.7025 7.7025 7.7030 7.7030 8.0609 8.0609 8.0743 8.0743 8.4146 8.4146 8.5709 8.5709 8.7854 8.7854 9.1802 9.1802 9.2343 9.2343 9.4513 9.4513 9.6144 9.6144 9.6347 9.6347 10.1773 10.1773 10.1990 10.1990 10.7971 10.7971 10.9326 10.9326 11.6679 11.6679 11.7019 11.7019 12.7498 12.7498 12.8116 12.8116 14.0159 14.0159 14.0796 14.0796 15.5311 15.5311 15.6319 15.6319 16.5309 16.5309 16.8348 16.8348 k = 0.1977 0.3228-0.0000 ( 3878 PWs) bands (ev): 1.8777 1.8777 1.8853 1.8853 3.7390 3.7390 3.8244 3.8244 6.5707 6.5707 6.6621 6.6621 7.4754 7.4754 7.4920 7.4920 7.7177 7.7177 7.7271 7.7271 8.0588 8.0588 8.0824 8.0824 8.4160 8.4160 8.5808 8.5808 8.7851 8.7851 9.2004 9.2004 9.2458 9.2458 9.4738 9.4738 9.6227 9.6227 9.6678 9.6678 10.1708 10.1708 10.1920 10.1920 10.7931 10.7931 10.9452 10.9452 11.6370 11.6370 11.6562 11.6562 12.8148 12.8148 12.8948 12.8948 14.0004 14.0004 14.0626 14.0626 15.6400 15.6400 15.7535 15.7535 16.5746 16.5746 16.8668 16.8668 k = 0.1860 0.3228-0.0000 ( 3874 PWs) bands (ev): 1.8360 1.8360 1.8429 1.8429 3.7305 3.7305 3.8116 3.8116 6.5623 6.5623 6.6490 6.6490 7.4812 7.4812 7.4925 7.4925 7.7328 7.7328 7.7512 7.7512 8.0577 8.0577 8.0887 8.0887 8.4198 8.4198 8.5900 8.5900 8.7856 8.7856 9.2179 9.2179 9.2580 9.2580 9.4968 9.4968 9.6321 9.6321 9.6979 9.6979 10.1654 10.1654 10.1870 10.1870 10.7872 10.7872 10.9571 10.9571 11.6050 11.6050 11.6092 11.6092 12.8819 12.8819 12.9782 12.9782 13.9873 13.9873 14.0482 14.0482 15.7506 15.7506 15.8738 15.8738 16.6169 16.6169 16.8893 16.8893 k = 0.1744 0.3228-0.0000 ( 3872 PWs) bands (ev): 1.7965 1.7965 1.8027 1.8027 3.7218 3.7218 3.7985 3.7985 6.5526 6.5526 6.6340 6.6340 7.4899 7.4899 7.4949 7.4949 7.7472 7.7472 7.7745 7.7745 8.0574 8.0574 8.0929 8.0929 8.4262 8.4262 8.5984 8.5984 8.7875 8.7875 9.2295 9.2295 9.2737 9.2737 9.5201 9.5201 9.6424 9.6424 9.7243 9.7243 10.1608 10.1608 10.1844 10.1844 10.7797 10.7797 10.9682 10.9682 11.5613 11.5613 11.5725 11.5725 12.9499 12.9499 13.0602 13.0602 13.9786 13.9786 14.0380 14.0380 15.8618 15.8618 15.9920 15.9920 16.6552 16.6552 16.8998 16.8998 k = 0.1628 0.3228-0.0000 ( 3868 PWs) bands (ev): 1.7593 1.7593 1.7648 1.7648 3.7131 3.7131 3.7852 3.7852 6.5416 6.5416 6.6173 6.6173 7.4995 7.4995 7.5013 7.5013 7.7605 7.7605 7.7964 7.7964 8.0576 8.0576 8.0952 8.0952 8.4350 8.4350 8.6058 8.6058 8.7911 8.7911 9.2345 9.2345 9.2939 9.2939 9.5432 9.5432 9.6534 9.6534 9.7467 9.7467 10.1570 10.1570 10.1840 10.1840 10.7711 10.7711 10.9786 10.9786 11.5131 11.5131 11.5399 11.5399 13.0173 13.0173 13.1386 13.1386 13.9771 13.9771 14.0338 14.0338 15.9723 15.9723 16.1073 16.1073 16.6869 16.6869 16.8972 16.8972 k = 0.1512 0.3228-0.0000 ( 3864 PWs) bands (ev): 1.7244 1.7244 1.7293 1.7293 3.7046 3.7046 3.7720 3.7720 6.5298 6.5298 6.5996 6.5996 7.5062 7.5062 7.5153 7.5153 7.7725 7.7725 7.8167 7.8167 8.0580 8.0580 8.0957 8.0957 8.4461 8.4461 8.6123 8.6123 8.7965 8.7965 9.2344 9.2344 9.3167 9.3167 9.5657 9.5657 9.6650 9.6650 9.7647 9.7647 10.1540 10.1540 10.1858 10.1858 10.7618 10.7618 10.9881 10.9881 11.4649 11.4649 11.5075 11.5075 13.0824 13.0824 13.2104 13.2104 13.9859 13.9859 14.0374 14.0374 16.0801 16.0801 16.2182 16.2182 16.7100 16.7100 16.8821 16.8821 k = 0.1395 0.3228-0.0000 ( 3868 PWs) bands (ev): 1.6918 1.6918 1.6962 1.6962 3.6964 3.6964 3.7589 3.7589 6.5176 6.5176 6.5812 6.5812 7.5149 7.5149 7.5313 7.5313 7.7830 7.7830 7.8349 7.8349 8.0587 8.0587 8.0947 8.0947 8.4589 8.4589 8.6179 8.6179 8.8039 8.8039 9.2304 9.2304 9.3409 9.3409 9.5871 9.5871 9.6771 9.6771 9.7786 9.7786 10.1516 10.1516 10.1893 10.1893 10.7524 10.7524 10.9968 10.9968 11.4173 11.4173 11.4758 11.4758 13.1428 13.1428 13.2722 13.2722 14.0087 14.0087 14.0512 14.0512 16.1818 16.1818 16.3217 16.3217 16.7245 16.7245 16.8577 16.8577 k = 0.1279 0.3228-0.0000 ( 3868 PWs) bands (ev): 1.6617 1.6617 1.6655 1.6655 3.6885 3.6885 3.7462 3.7462 6.5051 6.5051 6.5627 6.5627 7.5254 7.5254 7.5490 7.5490 7.7919 7.7919 7.8508 7.8508 8.0594 8.0594 8.0927 8.0927 8.4732 8.4732 8.6226 8.6226 8.8133 8.8133 9.2234 9.2234 9.3655 9.3655 9.6068 9.6068 9.6895 9.6895 9.7888 9.7888 10.1498 10.1498 10.1939 10.1939 10.7436 10.7436 11.0046 11.0046 11.3708 11.3708 11.4450 11.4450 13.1965 13.1965 13.3212 13.3212 14.0482 14.0482 14.0771 14.0771 16.2712 16.2712 16.4116 16.4116 16.7348 16.7348 16.8310 16.8310 k = 0.1163 0.3228-0.0000 ( 3862 PWs) bands (ev): 1.6341 1.6341 1.6374 1.6374 3.6813 3.6813 3.7339 3.7339 6.4927 6.4927 6.5444 6.5444 7.5373 7.5373 7.5676 7.5676 7.7992 7.7992 7.8642 7.8642 8.0602 8.0602 8.0900 8.0900 8.4884 8.4884 8.6265 8.6265 8.8248 8.8248 9.2136 9.2136 9.3903 9.3903 9.6243 9.6243 9.7022 9.7022 9.7959 9.7959 10.1486 10.1486 10.1989 10.1989 10.7363 10.7363 11.0110 11.0110 11.3261 11.3261 11.4152 11.4152 13.2416 13.2416 13.3562 13.3562 14.1054 14.1054 14.1167 14.1167 16.3369 16.3369 16.4734 16.4734 16.7542 16.7542 16.8149 16.8149 k = 0.1047 0.3228-0.0000 ( 3870 PWs) bands (ev): 1.6090 1.6090 1.6119 1.6119 3.6746 3.6746 3.7221 3.7221 6.4809 6.4809 6.5268 6.5268 7.5504 7.5504 7.5867 7.5867 7.8051 7.8051 7.8749 7.8749 8.0611 8.0611 8.0870 8.0870 8.5042 8.5042 8.6297 8.6297 8.8382 8.8382 9.2014 9.2014 9.4149 9.4149 9.6389 9.6389 9.7152 9.7152 9.8008 9.8008 10.1477 10.1477 10.2033 10.2033 10.7311 10.7311 11.0155 11.0155 11.2840 11.2840 11.3867 11.3867 13.2775 13.2775 13.3782 13.3782 14.1704 14.1704 14.1789 14.1789 16.3630 16.3630 16.4893 16.4893 16.8008 16.8008 16.8268 16.8268 k = 0.0930 0.3228-0.0000 ( 3862 PWs) bands (ev): 1.5864 1.5864 1.5889 1.5889 3.6687 3.6687 3.7111 3.7111 6.4698 6.4698 6.5100 6.5100 7.5643 7.5643 7.6057 7.6057 7.8097 7.8097 7.8827 7.8827 8.0620 8.0620 8.0839 8.0839 8.5201 8.5201 8.6322 8.6322 8.8534 8.8534 9.1870 9.1870 9.4392 9.4392 9.6499 9.6499 9.7282 9.7282 9.8044 9.8044 10.1474 10.1474 10.2063 10.2063 10.7290 10.7290 11.0172 11.0172 11.2460 11.2460 11.3596 11.3596 13.3043 13.3043 13.3897 13.3897 14.2374 14.2374 14.2654 14.2654 16.3432 16.3432 16.4612 16.4612 16.8736 16.8736 16.8744 16.8744 k = 0.0814 0.3228-0.0000 ( 3866 PWs) bands (ev): 1.5664 1.5664 1.5686 1.5686 3.6636 3.6636 3.7008 3.7008 6.4597 6.4597 6.4944 6.4944 7.5786 7.5786 7.6237 7.6237 7.8135 7.8135 7.8877 7.8877 8.0630 8.0630 8.0811 8.0811 8.5358 8.5358 8.6340 8.6340 8.8703 8.8703 9.1706 9.1706 9.4630 9.4630 9.6570 9.6570 9.7412 9.7412 9.8074 9.8074 10.1476 10.1476 10.2075 10.2075 10.7305 10.7305 11.0144 11.0144 11.2139 11.2139 11.3340 11.3340 13.3233 13.3233 13.3937 13.3937 14.3156 14.3156 14.3609 14.3609 16.2892 16.2892 16.4049 16.4049 16.9479 16.9479 16.9586 16.9586 k = 0.0698 0.3228-0.0000 ( 3858 PWs) bands (ev): 1.5491 1.5491 1.5508 1.5508 3.6594 3.6594 3.6913 3.6913 6.4508 6.4508 6.4802 6.4802 7.5932 7.5932 7.6400 7.6400 7.8168 7.8168 7.8898 7.8898 8.0640 8.0640 8.0785 8.0785 8.5510 8.5510 8.6350 8.6350 8.8887 8.8887 9.1525 9.1525 9.4861 9.4861 9.6597 9.6597 9.7540 9.7540 9.8102 9.8102 10.1483 10.1483 10.2064 10.2064 10.7360 10.7360 11.0053 11.0053 11.1899 11.1899 11.3099 11.3099 13.3361 13.3361 13.3928 13.3928 14.4022 14.4022 14.4611 14.4611 16.2162 16.2162 16.3318 16.3318 17.0340 17.0340 17.0469 17.0469 k = 0.0581 0.3228-0.0000 ( 3864 PWs) bands (ev): 1.5343 1.5343 1.5358 1.5358 3.6561 3.6561 3.6828 3.6828 6.4433 6.4433 6.4676 6.4676 7.6076 7.6076 7.6537 7.6537 7.8204 7.8204 7.8892 7.8892 8.0650 8.0650 8.0764 8.0764 8.5653 8.5653 8.6351 8.6351 8.9085 8.9085 9.1329 9.1329 9.5084 9.5084 9.6583 9.6583 9.7663 9.7663 9.8129 9.8129 10.1497 10.1497 10.2032 10.2032 10.7457 10.7457 10.9887 10.9887 11.1754 11.1754 11.2874 11.2874 13.3445 13.3445 13.3891 13.3891 14.4937 14.4937 14.5615 14.5615 16.1352 16.1352 16.2488 16.2488 17.1245 17.1245 17.1342 17.1342 k = 0.0465 0.3228-0.0000 ( 3862 PWs) bands (ev): 1.5223 1.5223 1.5235 1.5235 3.6538 3.6538 3.6752 3.6752 6.4374 6.4374 6.4566 6.4566 7.6216 7.6216 7.6641 7.6641 7.8248 7.8248 7.8862 7.8862 8.0661 8.0661 8.0745 8.0745 8.5785 8.5785 8.6342 8.6342 8.9295 8.9295 9.1120 9.1120 9.5299 9.5299 9.6531 9.6531 9.7778 9.7778 9.8151 9.8151 10.1519 10.1519 10.1981 10.1981 10.7596 10.7596 10.9654 10.9654 11.1699 11.1699 11.2664 11.2664 13.3500 13.3500 13.3839 13.3839 14.5861 14.5861 14.6570 14.6570 16.0543 16.0543 16.1614 16.1614 17.2148 17.2148 17.2187 17.2187 k = 0.0349 0.3228-0.0000 ( 3870 PWs) bands (ev): 1.5129 1.5129 1.5138 1.5138 3.6526 3.6526 3.6687 3.6687 6.4332 6.4332 6.4475 6.4475 7.6348 7.6348 7.6704 7.6704 7.8308 7.8308 7.8809 7.8809 8.0670 8.0670 8.0731 8.0731 8.5905 8.5905 8.6321 8.6321 8.9514 8.9514 9.0901 9.0901 9.5504 9.5504 9.6447 9.6447 9.7884 9.7884 9.8165 9.8165 10.1550 10.1550 10.1917 10.1917 10.7775 10.7775 10.9379 10.9379 11.1712 11.1712 11.2470 11.2470 13.3539 13.3539 13.3783 13.3783 14.6745 14.6745 14.7413 14.7413 15.9815 15.9815 16.0753 16.0753 17.2990 17.2990 17.3023 17.3023 k = 0.0233 0.3228-0.0000 ( 3866 PWs) bands (ev): 1.5063 1.5063 1.5069 1.5069 3.6525 3.6525 3.6632 3.6632 6.4308 6.4308 6.4403 6.4403 7.6467 7.6467 7.6725 7.6725 7.8382 7.8382 7.8739 7.8739 8.0680 8.0680 8.0718 8.0718 8.6011 8.6011 8.6288 8.6288 8.9741 8.9741 9.0675 9.0675 9.5698 9.5698 9.6335 9.6335 9.7976 9.7976 9.8164 9.8164 10.1592 10.1592 10.1846 10.1846 10.7989 10.7989 10.9085 10.9085 11.1773 11.1773 11.2293 11.2293 13.3570 13.3570 13.3728 13.3728 14.7527 14.7527 14.8062 14.8062 15.9258 15.9258 15.9973 15.9973 17.3747 17.3747 17.3852 17.3852 k = 0.0116 0.3228-0.0000 ( 3862 PWs) bands (ev): 1.5024 1.5024 1.5026 1.5026 3.6535 3.6535 3.6589 3.6589 6.4302 6.4302 6.4350 6.4350 7.6570 7.6570 7.6705 7.6705 7.8469 7.8469 7.8655 7.8655 8.0689 8.0689 8.0708 8.0708 8.6103 8.6103 8.6241 8.6241 8.9973 8.9973 9.0443 9.0443 9.5880 9.5880 9.6201 9.6201 9.8052 9.8052 9.8146 9.8146 10.1643 10.1643 10.1773 10.1773 10.8233 10.8233 10.8788 10.8788 11.1869 11.1869 11.2132 11.2132 13.3602 13.3602 13.3679 13.3679 14.8124 14.8124 14.8428 14.8428 15.8963 15.8963 15.9356 15.9356 17.4450 17.4450 17.4616 17.4616 k = 0.0000 0.3228-0.0000 ( 3858 PWs) bands (ev): 1.5011 1.5011 1.5011 1.5011 3.6556 3.6556 3.6556 3.6556 6.4316 6.4316 6.4316 6.4316 7.6652 7.6652 7.6652 7.6652 7.8563 7.8563 7.8563 7.8563 8.0698 8.0698 8.0698 8.0698 8.6179 8.6179 8.6179 8.6179 9.0208 9.0208 9.0208 9.0208 9.6048 9.6048 9.6048 9.6048 9.8109 9.8109 9.8109 9.8109 10.1704 10.1704 10.1704 10.1704 10.8501 10.8501 10.8501 10.8501 11.1990 11.1990 11.1990 11.1990 13.3637 13.3637 13.3637 13.3637 14.8447 14.8447 14.8447 14.8447 15.8997 15.8997 15.8997 15.8997 17.5021 17.5021 17.5021 17.5021 k = 0.0000 0.3228-0.0000 ( 3858 PWs) bands (ev): 1.5011 1.5011 1.5011 1.5011 3.6556 3.6556 3.6556 3.6556 6.4316 6.4316 6.4316 6.4316 7.6652 7.6652 7.6652 7.6652 7.8563 7.8563 7.8563 7.8563 8.0698 8.0698 8.0698 8.0698 8.6179 8.6179 8.6179 8.6179 9.0208 9.0208 9.0208 9.0208 9.6048 9.6048 9.6048 9.6048 9.8109 9.8109 9.8109 9.8109 10.1704 10.1704 10.1704 10.1704 10.8501 10.8501 10.8501 10.8501 11.1990 11.1990 11.1990 11.1990 13.3637 13.3637 13.3637 13.3637 14.8447 14.8447 14.8447 14.8447 15.8997 15.8997 15.8997 15.8997 17.5021 17.5021 17.5021 17.5021 k = 0.0000 0.3113-0.0000 ( 3868 PWs) bands (ev): 1.4200 1.4200 1.5845 1.5845 3.6342 3.6342 3.6772 3.6772 6.3901 6.3901 6.4739 6.4739 7.6518 7.6518 7.6749 7.6749 7.8383 7.8383 7.8759 7.8759 8.0475 8.0475 8.0880 8.0880 8.5856 8.5856 8.6513 8.6513 8.9829 8.9829 9.0582 9.0582 9.5925 9.5925 9.6142 9.6142 9.7974 9.7974 9.8290 9.8290 10.1522 10.1522 10.1905 10.1905 10.8336 10.8336 10.8672 10.8672 11.1871 11.1871 11.2124 11.2124 13.2830 13.2830 13.4493 13.4493 14.7018 14.7018 14.9882 14.9882 15.8737 15.8737 15.9222 15.9222 17.3665 17.3665 17.4571 17.4571 k = 0.0000 0.2998-0.0000 ( 3872 PWs) bands (ev): 1.3412 1.3412 1.6700 1.6700 3.6129 3.6129 3.6989 3.6989 6.3494 6.3494 6.5165 6.5165 7.6352 7.6352 7.6805 7.6805 7.8212 7.8212 7.8973 7.8973 8.0215 8.0215 8.1017 8.1017 8.5549 8.5549 8.6849 8.6849 8.9453 8.9453 9.0949 9.0949 9.5768 9.5768 9.6215 9.6215 9.7887 9.7887 9.8509 9.8509 10.1367 10.1367 10.2118 10.2118 10.8180 10.8180 10.8843 10.8843 11.1764 11.1764 11.2277 11.2277 13.2073 13.2073 13.5392 13.5392 14.5596 14.5596 15.1319 15.1319 15.8452 15.8452 15.9403 15.9403 17.2140 17.2140 17.3873 17.3873 k = 0.0000 0.2882-0.0000 ( 3864 PWs) bands (ev): 1.2649 1.2649 1.7576 1.7576 3.5918 3.5918 3.7207 3.7207 6.3099 6.3099 6.5593 6.5593 7.6161 7.6161 7.6821 7.6821 7.8040 7.8040 7.9199 7.9199 7.9935 7.9935 8.1109 8.1109 8.5261 8.5261 8.7172 8.7172 8.9093 8.9093 9.1308 9.1308 9.5580 9.5580 9.6276 9.6276 9.7840 9.7840 9.8757 9.8757 10.1248 10.1248 10.2338 10.2338 10.8034 10.8034 10.9010 10.9010 11.1666 11.1666 11.2453 11.2453 13.1369 13.1369 13.6330 13.6330 14.4183 14.4183 15.2755 15.2755 15.8149 15.8149 15.9527 15.9527 17.0645 17.0645 17.3175 17.3175 k = 0.0000 0.2767-0.0000 ( 3860 PWs) bands (ev): 1.1910 1.1910 1.8471 1.8471 3.5710 3.5710 3.7426 3.7426 6.2716 6.2716 6.6016 6.6016 7.5953 7.5953 7.6794 7.6794 7.7852 7.7852 7.9383 7.9383 7.9696 7.9696 8.1157 8.1157 8.4996 8.4996 8.7438 8.7438 8.8794 8.8794 9.1659 9.1659 9.5370 9.5370 9.6330 9.6330 9.7819 9.7819 9.9020 9.9020 10.1177 10.1177 10.2562 10.2562 10.7903 10.7903 10.9168 10.9168 11.1575 11.1575 11.2657 11.2657 13.0719 13.0719 13.7298 13.7298 14.2782 14.2782 15.4181 15.4181 15.7840 15.7840 15.9577 15.9577 16.9214 16.9214 17.2481 17.2481 k = 0.0000 0.2652-0.0000 ( 3868 PWs) bands (ev): 1.1197 1.1197 1.9384 1.9384 3.5504 3.5504 3.7646 3.7646 6.2348 6.2348 6.6431 6.6431 7.5730 7.5730 7.6716 7.6716 7.7642 7.7642 7.9252 7.9252 7.9788 7.9788 8.1165 8.1165 8.4757 8.4757 8.7536 8.7536 8.8667 8.8667 9.2005 9.2005 9.5147 9.5147 9.6376 9.6376 9.7815 9.7815 9.9291 9.9291 10.1162 10.1162 10.2787 10.2787 10.7788 10.7788 10.9312 10.9312 11.1489 11.1489 11.2891 11.2891 13.0123 13.0123 13.8285 13.8285 14.1396 14.1396 15.5574 15.5574 15.7556 15.7556 15.9528 15.9528 16.7884 16.7884 17.1795 17.1795 k = 0.0000 0.2537-0.0000 ( 3862 PWs) bands (ev): 1.0511 1.0511 2.0313 2.0313 3.5302 3.5302 3.7867 3.7867 6.1995 6.1995 6.6832 6.6832 7.5495 7.5495 7.6567 7.6567 7.7419 7.7419 7.8994 7.8994 8.0032 8.0032 8.1135 8.1135 8.4549 8.4549 8.7378 8.7378 8.8799 8.8799 9.2345 9.2345 9.4920 9.4920 9.6409 9.6409 9.7822 9.7822 9.9560 9.9560 10.1210 10.1210 10.3012 10.3012 10.7692 10.7692 10.9439 10.9439 11.1408 11.1408 11.3157 11.3157 12.9580 12.9580 13.9253 13.9253 14.0055 14.0055 15.6692 15.6692 15.7540 15.7540 15.9347 15.9347 16.6702 16.6702 17.1119 17.1119 k = 0.0000 0.2421-0.0000 ( 3860 PWs) bands (ev): 0.9851 0.9851 2.1257 2.1257 3.5102 3.5102 3.8089 3.8089 6.1658 6.1658 6.7211 6.7211 7.5240 7.5240 7.6321 7.6321 7.7217 7.7217 7.8755 7.8755 8.0289 8.0289 8.1073 8.1073 8.4374 8.4374 8.7076 8.7076 8.9080 8.9080 9.2680 9.2680 9.4698 9.4698 9.6419 9.6419 9.7844 9.7844 9.9823 9.9823 10.1320 10.1320 10.3234 10.3234 10.7617 10.7617 10.9546 10.9546 11.1330 11.1330 11.3457 11.3457 12.9088 12.9088 13.8625 13.8625 14.0321 14.0321 15.6718 15.6718 15.8594 15.8594 15.9012 15.9012 16.5718 16.5718 17.0459 17.0459 k = 0.0000 0.2306-0.0000 ( 3860 PWs) bands (ev): 0.9219 0.9219 2.2213 2.2213 3.4907 3.4907 3.8314 3.8314 6.1338 6.1338 6.7560 6.7560 7.4947 7.4947 7.5986 7.5986 7.7059 7.7059 7.8544 7.8544 8.0540 8.0540 8.0984 8.0984 8.4236 8.4236 8.6731 8.6731 8.9406 8.9406 9.3006 9.3006 9.4491 9.4491 9.6396 9.6396 9.7890 9.7890 10.0078 10.0078 10.1488 10.1488 10.3451 10.3451 10.7564 10.7564 10.9631 10.9631 11.1254 11.1254 11.3789 11.3789 12.8645 12.8645 13.7292 13.7292 14.1287 14.1287 15.6464 15.6464 15.8430 15.8430 15.9975 15.9975 16.4975 16.4975 16.9821 16.9821 k = 0.0000 0.2191-0.0000 ( 3860 PWs) bands (ev): 0.8614 0.8614 2.3179 2.3179 3.4717 3.4717 3.8541 3.8541 6.1035 6.1035 6.7866 6.7866 7.4578 7.4578 7.5630 7.5630 7.6938 7.6938 7.8355 7.8355 8.0765 8.0765 8.0888 8.0888 8.4137 8.4137 8.6382 8.6382 8.9738 8.9738 9.3311 9.3311 9.4316 9.4316 9.6339 9.6339 9.7965 9.7965 10.0323 10.0323 10.1704 10.1704 10.3662 10.3662 10.7538 10.7538 10.9694 10.9694 11.1180 11.1180 11.4151 11.4151 12.8250 12.8250 13.5969 13.5969 14.2219 14.2219 15.6176 15.6176 15.7738 15.7738 16.1305 16.1305 16.4487 16.4487 16.9211 16.9211 k = 0.0000 0.2075-0.0000 ( 3870 PWs) bands (ev): 0.8038 0.8038 2.4153 2.4153 3.4531 3.4531 3.8771 3.8771 6.0750 6.0750 6.8112 6.8112 7.4104 7.4104 7.5326 7.5326 7.6839 7.6839 7.8179 7.8179 8.0727 8.0727 8.1021 8.1021 8.4078 8.4078 8.6047 8.6047 9.0058 9.0058 9.3543 9.3543 9.4226 9.4226 9.6255 9.6255 9.8069 9.8069 10.0561 10.0561 10.1957 10.1957 10.3863 10.3863 10.7541 10.7541 10.9736 10.9736 11.1107 11.1107 11.4537 11.4537 12.7899 12.7899 13.4665 13.4665 14.3084 14.3084 15.5775 15.5775 15.7066 15.7066 16.2536 16.2536 16.4271 16.4271 16.8641 16.8641 k = 0.0000 0.1960-0.0000 ( 3866 PWs) bands (ev): 0.7491 0.7491 2.5130 2.5130 3.4352 3.4352 3.9006 3.9006 6.0482 6.0482 6.8276 6.8276 7.3548 7.3548 7.5095 7.5095 7.6753 7.6753 7.8010 7.8010 8.0589 8.0589 8.1223 8.1223 8.4055 8.4055 8.5739 8.5739 9.0353 9.0353 9.3602 9.3602 9.4315 9.4315 9.6163 9.6163 9.8197 9.8197 10.0792 10.0792 10.2235 10.2235 10.4052 10.4052 10.7575 10.7575 10.9757 10.9757 11.1036 11.1036 11.4944 11.4944 12.7591 12.7591 13.3382 13.3382 14.3852 14.3852 15.5062 15.5062 15.6703 15.6703 16.3334 16.3334 16.4578 16.4578 16.8133 16.8133 k = 0.0000 0.1845-0.0000 ( 3878 PWs) bands (ev): 0.6973 0.6973 2.6108 2.6108 3.4178 3.4178 3.9247 3.9247 6.0232 6.0232 6.8323 6.8323 7.2974 7.2974 7.4920 7.4920 7.6675 7.6675 7.7844 7.7844 8.0440 8.0440 8.1408 8.1408 8.4057 8.4057 8.5473 8.5473 9.0613 9.0613 9.3526 9.3526 9.4535 9.4535 9.6091 9.6091 9.8343 9.8343 10.1018 10.1018 10.2531 10.2531 10.4227 10.4227 10.7643 10.7643 10.9760 10.9760 11.0966 11.0966 11.5365 11.5365 12.7321 12.7321 13.2123 13.2123 14.4491 14.4491 15.4092 15.4092 15.6675 15.6675 16.3489 16.3489 16.5516 16.5516 16.7740 16.7740 k = 0.0000 0.1729-0.0000 ( 3882 PWs) bands (ev): 0.6485 0.6485 2.7082 2.7082 3.4012 3.4012 3.9496 3.9496 6.0000 6.0000 6.8208 6.8208 7.2452 7.2452 7.4786 7.4786 7.6603 7.6603 7.7680 7.7680 8.0285 8.0285 8.1576 8.1576 8.4057 8.4057 8.5275 8.5275 9.0829 9.0829 9.3418 9.3418 9.4745 9.4745 9.6087 9.6087 9.8499 9.8499 10.1238 10.1238 10.2838 10.2838 10.4385 10.4385 10.7746 10.7746 10.9745 10.9745 11.0898 11.0898 11.5794 11.5794 12.7087 12.7087 13.0891 13.0891 14.4978 14.4978 15.3034 15.3034 15.6867 15.6867 16.3482 16.3482 16.6328 16.6328 16.7706 16.7706 k = 0.0000 0.1614-0.0000 ( 3890 PWs) bands (ev): 0.6027 0.6027 2.8045 2.8045 3.3853 3.3853 3.9756 3.9756 5.9785 5.9785 6.7892 6.7892 7.2039 7.2039 7.4682 7.4682 7.6536 7.6536 7.7520 7.7520 8.0128 8.0128 8.1730 8.1730 8.4019 8.4019 8.5179 8.5179 9.0995 9.0995 9.3315 9.3315 9.4860 9.4860 9.6207 9.6207 9.8662 9.8662 10.1454 10.1454 10.3151 10.3151 10.4526 10.4526 10.7882 10.7882 10.9712 10.9712 11.0833 11.0833 11.6226 11.6226 12.6886 12.6886 12.9687 12.9687 14.5299 14.5299 15.1970 15.1970 15.7231 15.7231 16.3448 16.3448 16.6453 16.6453 16.8439 16.8439 k = 0.0000 0.1499-0.0000 ( 3892 PWs) bands (ev): 0.5599 0.5599 2.8991 2.8991 3.3702 3.3702 4.0030 4.0030 5.9587 5.9587 6.7365 6.7365 7.1759 7.1759 7.4602 7.4602 7.6472 7.6472 7.7365 7.7365 7.9968 7.9968 8.1874 8.1874 8.3918 8.3918 8.5208 8.5208 9.1107 9.1107 9.3229 9.3229 9.4862 9.4862 9.6461 9.6461 9.8828 9.8828 10.1664 10.1664 10.3467 10.3467 10.4653 10.4653 10.8048 10.8048 10.9663 10.9663 11.0771 11.0771 11.6654 11.6654 12.6715 12.6715 12.8517 12.8517 14.5452 14.5452 15.0939 15.0939 15.7730 15.7730 16.3402 16.3402 16.6326 16.6326 16.9477 16.9477 k = 0.0000 0.1384-0.0000 ( 3892 PWs) bands (ev): 0.5201 0.5201 2.9912 2.9912 3.3560 3.3560 4.0322 4.0322 5.9406 5.9406 6.6661 6.6661 7.1593 7.1593 7.4541 7.4541 7.6407 7.6407 7.7223 7.7223 7.9807 7.9807 8.2011 8.2011 8.3766 8.3766 8.5341 8.5341 9.1167 9.1167 9.3157 9.3157 9.4788 9.4788 9.6809 9.6809 9.8995 9.8995 10.1868 10.1868 10.3781 10.3781 10.4769 10.4769 10.8237 10.8237 10.9597 10.9597 11.0715 11.0715 11.7074 11.7074 12.6566 12.6566 12.7385 12.7385 14.5451 14.5451 14.9969 14.9969 15.8315 15.8315 16.3358 16.3358 16.6234 16.6234 17.0525 17.0525 k = 0.0000 0.1268-0.0000 ( 3896 PWs) bands (ev): 0.4834 0.4834 3.0798 3.0798 3.3427 3.3427 4.0636 4.0636 5.9241 5.9241 6.5830 6.5830 7.1502 7.1502 7.4495 7.4495 7.6338 7.6338 7.7097 7.7097 7.9645 7.9645 8.2143 8.2143 8.3594 8.3594 8.5546 8.5546 9.1183 9.1183 9.3095 9.3095 9.4678 9.4678 9.7207 9.7207 9.9161 9.9161 10.2063 10.2063 10.4089 10.4089 10.4880 10.4880 10.8444 10.8444 10.9514 10.9514 11.0665 11.0665 11.7480 11.7480 12.6237 12.6237 12.6500 12.6500 14.5311 14.5311 14.9081 14.9081 15.8918 15.8918 16.3353 16.3353 16.6224 16.6224 17.1516 17.1516 k = 0.0000 0.1153-0.0000 ( 3894 PWs) bands (ev): 0.4499 0.4499 3.1637 3.1637 3.3306 3.3306 4.0979 4.0979 5.9093 5.9093 6.4922 6.4922 7.1453 7.1453 7.4461 7.4461 7.6262 7.6262 7.6996 7.6996 7.9483 7.9483 8.2268 8.2268 8.3421 8.3421 8.5799 8.5799 9.1164 9.1164 9.3034 9.3034 9.4552 9.4552 9.7631 9.7631 9.9323 9.9323 10.2247 10.2247 10.4388 10.4388 10.4995 10.4995 10.8658 10.8658 10.9417 10.9417 11.0622 11.0622 11.7866 11.7866 12.5215 12.5215 12.6372 12.6372 14.5051 14.5051 14.8295 14.8295 15.9454 15.9454 16.3450 16.3450 16.6296 16.6296 17.2427 17.2427 k = 0.0000 0.1038-0.0000 ( 3886 PWs) bands (ev): 0.4195 0.4195 3.2414 3.2414 3.3202 3.3202 4.1353 4.1353 5.8959 5.8959 6.3971 6.3971 7.1424 7.1424 7.4434 7.4434 7.6175 7.6175 7.6924 7.6924 7.9323 7.9323 8.2384 8.2384 8.3261 8.3261 8.6084 8.6084 9.1122 9.1122 9.2967 9.2967 9.4420 9.4420 9.8063 9.8063 9.9482 9.9482 10.2418 10.2418 10.4667 10.4667 10.5125 10.5125 10.8858 10.8858 10.9319 10.9319 11.0588 11.0588 11.8228 11.8228 12.4215 12.4215 12.6293 12.6293 14.4692 14.4692 14.7624 14.7624 15.9839 15.9839 16.3717 16.3717 16.6435 16.6435 17.3241 17.3241 k = 0.0000 0.0922-0.0000 ( 3880 PWs) bands (ev): 0.3922 0.3922 3.2993 3.2993 3.3239 3.3239 4.1761 4.1761 5.8841 5.8841 6.3006 6.3006 7.1407 7.1407 7.4414 7.4414 7.6079 7.6079 7.6880 7.6880 7.9165 7.9165 8.2480 8.2480 8.3126 8.3126 8.6392 8.6392 9.1067 9.1067 9.2887 9.2887 9.4288 9.4288 9.8490 9.8490 9.9634 9.9634 10.2573 10.2573 10.4911 10.4911 10.5290 10.5290 10.8969 10.8969 10.9289 10.9289 11.0563 11.0563 11.8562 11.8562 12.3269 12.3269 12.6233 12.6233 14.4261 14.4261 14.7069 14.7069 16.0034 16.0034 16.4174 16.4174 16.6624 16.6624 17.3950 17.3950 k = 0.0000 0.0807-0.0000 ( 3872 PWs) bands (ev): 0.3681 0.3681 3.2971 3.2971 3.3810 3.3810 4.2203 4.2203 5.8737 5.8737 6.2049 6.2049 7.1393 7.1393 7.4398 7.4398 7.5980 7.5980 7.6862 7.6862 7.9011 7.9011 8.2543 8.2543 8.3032 8.3032 8.6713 8.6713 9.1006 9.1006 9.2789 9.2789 9.4160 9.4160 9.8900 9.8900 9.9780 9.9780 10.2709 10.2709 10.5109 10.5109 10.5502 10.5502 10.8891 10.8891 10.9421 10.9421 11.0546 11.0546 11.8864 11.8864 12.2388 12.2388 12.6188 12.6188 14.3793 14.3793 14.6617 14.6617 16.0074 16.0074 16.4770 16.4770 16.6848 16.6848 17.4551 17.4551 k = 0.0000 0.0692-0.0000 ( 3858 PWs) bands (ev): 0.3471 0.3471 3.2898 3.2898 3.4357 3.4357 4.2672 4.2672 5.8647 5.8647 6.1126 6.1126 7.1383 7.1383 7.4385 7.4385 7.5882 7.5882 7.6865 7.6865 7.8864 7.8864 8.2552 8.2552 8.2996 8.2996 8.7038 8.7038 9.0948 9.0948 9.2670 9.2670 9.4043 9.4043 9.9278 9.9278 9.9921 9.9921 10.2823 10.2823 10.5273 10.5273 10.5750 10.5750 10.8730 10.8730 10.9604 10.9604 11.0536 11.0536 11.9131 11.9131 12.1582 12.1582 12.6155 12.6155 14.3326 14.3326 14.6251 14.6251 16.0020 16.0020 16.5423 16.5423 16.7095 16.7095 17.5046 17.5046 k = 0.0000 0.0576-0.0000 ( 3842 PWs) bands (ev): 0.3294 0.3294 3.2831 3.2831 3.4820 3.4820 4.3152 4.3152 5.8569 5.8569 6.0260 6.0260 7.1374 7.1374 7.4374 7.4374 7.5791 7.5791 7.6882 7.6882 7.8727 7.8727 8.2514 8.2514 8.3013 8.3013 8.7356 8.7356 9.0898 9.0898 9.2531 9.2531 9.3941 9.3941 9.9603 9.9603 10.0065 10.0065 10.2914 10.2914 10.5421 10.5421 10.6011 10.6011 10.8538 10.8538 10.9782 10.9782 11.0534 11.0534 11.9358 11.9358 12.0866 12.0866 12.6131 12.6131 14.2890 14.2890 14.5957 14.5957 15.9924 15.9924 16.6057 16.6057 16.7355 16.7355 17.5442 17.5442 k = 0.0000 0.0461-0.0000 ( 3846 PWs) bands (ev): 0.3149 0.3149 3.2775 3.2775 3.5193 3.5193 4.3622 4.3622 5.8499 5.8499 5.9484 5.9484 7.1366 7.1366 7.4366 7.4366 7.5712 7.5712 7.6909 7.6909 7.8604 7.8604 8.2458 8.2458 8.3052 8.3052 8.7655 8.7655 9.0860 9.0860 9.2376 9.2376 9.3857 9.3857 9.9847 9.9847 10.0226 10.0226 10.2982 10.2982 10.5558 10.5558 10.6276 10.6276 10.8324 10.8324 10.9941 10.9941 11.0536 11.0536 11.9536 11.9536 12.0258 12.0258 12.6116 12.6116 14.2509 14.2509 14.5723 14.5723 15.9818 15.9818 16.6609 16.6609 16.7623 16.7623 17.5750 17.5750 k = 0.0000 0.0346-0.0000 ( 3842 PWs) bands (ev): 0.3036 0.3036 3.2732 3.2732 3.5478 3.5478 4.4048 4.4048 5.8414 5.8414 5.8852 5.8852 7.1359 7.1359 7.4359 7.4359 7.5647 7.5647 7.6939 7.6939 7.8499 7.8499 8.2405 8.2405 8.3093 8.3093 8.7918 8.7918 9.0837 9.0837 9.2218 9.2218 9.3792 9.3792 10.0000 10.0000 10.0404 10.0404 10.3030 10.3030 10.5679 10.5679 10.6541 10.6541 10.8094 10.8094 11.0073 11.0073 11.0540 11.0540 11.9585 11.9585 11.9854 11.9854 12.6106 12.6106 14.2199 14.2199 14.5543 14.5543 15.9721 15.9721 16.7033 16.7033 16.7894 16.7894 17.5979 17.5979 k = 0.0000 0.0231-0.0000 ( 3837 PWs) bands (ev): 0.2955 0.2955 3.2700 3.2700 3.5678 3.5678 4.4395 4.4395 5.8181 5.8181 5.8535 5.8535 7.1355 7.1355 7.4354 7.4354 7.5599 7.5599 7.6967 7.6967 7.8418 7.8418 8.2363 8.2363 8.3125 8.3125 8.8126 8.8126 9.0829 9.0829 9.2076 9.2076 9.3747 9.3747 10.0088 10.0088 10.0562 10.0562 10.3060 10.3060 10.5776 10.5776 10.6807 10.6807 10.7851 10.7851 11.0174 11.0174 11.0544 11.0544 11.9314 11.9314 11.9858 11.9858 12.6100 12.6100 14.1970 14.1970 14.5416 14.5416 15.9646 15.9646 16.7316 16.7316 16.8140 16.8140 17.6139 17.6139 k = 0.0000 0.0115-0.0000 ( 3833 PWs) bands (ev): 0.2906 0.2906 3.2681 3.2681 3.5796 3.5796 4.4622 4.4622 5.7897 5.7897 5.8470 5.8470 7.1352 7.1352 7.4352 7.4352 7.5570 7.5570 7.6987 7.6987 7.8366 7.8366 8.2337 8.2337 8.3146 8.3146 8.8262 8.8262 9.0831 9.0831 9.1973 9.1973 9.3721 9.3721 10.0134 10.0134 10.0667 10.0667 10.3076 10.3076 10.5839 10.5839 10.7072 10.7072 10.7597 10.7597 11.0237 11.0237 11.0547 11.0547 11.9095 11.9095 11.9910 11.9910 12.6097 12.6097 14.1831 14.1831 14.5340 14.5340 15.9598 15.9598 16.7472 16.7472 16.8314 16.8314 17.6233 17.6233 k = 0.0000 0.0000 0.0000 ( 3831 PWs) bands (ev): 0.2890 0.2890 3.2675 3.2675 3.5835 3.5835 4.4702 4.4702 5.7791 5.7791 5.8456 5.8456 7.1351 7.1351 7.4351 7.4351 7.5560 7.5560 7.6995 7.6995 7.8348 7.8348 8.2328 8.2328 8.3153 8.3153 8.8309 8.8309 9.0833 9.0833 9.1935 9.1935 9.3712 9.3712 10.0149 10.0149 10.0704 10.0704 10.3081 10.3081 10.5861 10.5861 10.7333 10.7333 10.7340 10.7340 11.0259 11.0259 11.0548 11.0548 11.9019 11.9019 11.9930 11.9930 12.6096 12.6096 14.1784 14.1784 14.5315 14.5315 15.9582 15.9582 16.7522 16.7522 16.8377 16.8377 17.6264 17.6264 k = 0.0000 0.0000 0.0000 ( 3831 PWs) bands (ev): 0.2890 0.2890 3.2675 3.2675 3.5835 3.5835 4.4702 4.4702 5.7791 5.7791 5.8456 5.8456 7.1351 7.1351 7.4351 7.4351 7.5560 7.5560 7.6995 7.6995 7.8348 7.8348 8.2328 8.2328 8.3153 8.3153 8.8309 8.8309 9.0833 9.0833 9.1935 9.1935 9.3712 9.3712 10.0149 10.0149 10.0704 10.0704 10.3081 10.3081 10.5861 10.5861 10.7333 10.7333 10.7340 10.7340 11.0259 11.0259 11.0548 11.0548 11.9019 11.9019 11.9930 11.9930 12.6096 12.6096 14.1784 14.1784 14.5315 14.5315 15.9582 15.9582 16.7522 16.7522 16.8377 16.8377 17.6264 17.6264 k = 0.0000 0.0000 0.0117 ( 3831 PWs) bands (ev): 0.2906 0.2906 3.2574 3.2574 3.5896 3.5896 4.4695 4.4695 5.7425 5.7425 5.8887 5.8887 7.1350 7.1350 7.4356 7.4356 7.5563 7.5563 7.6998 7.6998 7.8344 7.8344 8.2332 8.2332 8.3159 8.3159 8.8283 8.8283 9.0804 9.0804 9.1945 9.1945 9.3682 9.3682 10.0123 10.0123 10.0690 10.0690 10.3071 10.3071 10.5833 10.5833 10.7252 10.7252 10.7369 10.7369 11.0348 11.0348 11.0540 11.0540 11.9121 11.9121 11.9901 11.9901 12.6108 12.6108 14.1819 14.1819 14.5332 14.5332 15.9558 15.9558 16.7500 16.7500 16.8354 16.8354 17.6305 17.6305 k = 0.0000 0.0000 0.0234 ( 3835 PWs) bands (ev): 0.2955 0.2955 3.2293 3.2293 3.6059 3.6059 4.4675 4.4675 5.6915 5.6915 5.9591 5.9591 7.1349 7.1349 7.4374 7.4374 7.5571 7.5571 7.7007 7.7007 7.8334 7.8334 8.2341 8.2341 8.3179 8.3179 8.8207 8.8207 9.0714 9.0714 9.1972 9.1972 9.3599 9.3599 10.0042 10.0042 10.0657 10.0657 10.3044 10.3044 10.5756 10.5756 10.7120 10.7120 10.7366 10.7366 11.0269 11.0269 11.0840 11.0840 11.9406 11.9406 11.9825 11.9825 12.6143 12.6143 14.1922 14.1922 14.5383 14.5383 15.9485 15.9485 16.7418 16.7418 16.8306 16.8306 17.6427 17.6427 k = 0.0000 0.0000 0.0351 ( 3835 PWs) bands (ev): 0.3035 0.3035 3.1871 3.1871 3.6286 3.6286 4.4643 4.4643 5.6454 5.6454 6.0373 6.0373 7.1347 7.1347 7.4402 7.4402 7.5585 7.5585 7.7022 7.7022 7.8316 7.8316 8.2351 8.2351 8.3214 8.3214 8.8080 8.8080 9.0561 9.0561 9.2008 9.2008 9.3485 9.3485 9.9905 9.9905 10.0615 10.0615 10.2999 10.2999 10.5648 10.5648 10.6961 10.6961 10.7341 10.7341 11.0040 11.0040 11.1390 11.1390 11.9593 11.9593 11.9957 11.9957 12.6203 12.6203 14.2091 14.2091 14.5469 14.5469 15.9361 15.9361 16.7229 16.7229 16.8279 16.8279 17.6627 17.6627 k = 0.0000 0.0000 0.0468 ( 3843 PWs) bands (ev): 0.3148 0.3148 3.1347 3.1347 3.6542 3.6542 4.4597 4.4597 5.6062 5.6062 6.1208 6.1208 7.1344 7.1344 7.4442 7.4442 7.5605 7.5605 7.7043 7.7043 7.8291 7.8291 8.2354 8.2354 8.3266 8.3266 8.7902 8.7902 9.0344 9.0344 9.2039 9.2039 9.3372 9.3372 9.9718 9.9718 10.0569 10.0569 10.2941 10.2941 10.5526 10.5526 10.6786 10.6786 10.7296 10.7296 10.9776 10.9776 11.2050 11.2050 11.9408 11.9408 12.0537 12.0537 12.6288 12.6288 14.2320 14.2320 14.5593 14.5593 15.9184 15.9184 16.6895 16.6895 16.8314 16.8314 17.6898 17.6898 k = 0.0000 0.0000 0.0585 ( 3849 PWs) bands (ev): 0.3293 0.3293 3.0744 3.0744 3.6808 3.6808 4.4539 4.4539 5.5745 5.5745 6.2083 6.2083 7.1338 7.1338 7.4492 7.4492 7.5631 7.5631 7.7067 7.7067 7.8261 7.8261 8.2340 8.2340 8.3340 8.3340 8.7670 8.7670 9.0069 9.0069 9.2051 9.2051 9.3293 9.3293 9.9498 9.9498 10.0514 10.0514 10.2870 10.2870 10.5399 10.5399 10.6593 10.6593 10.7232 10.7232 10.9525 10.9525 11.2769 11.2769 11.9143 11.9143 12.1245 12.1245 12.6399 12.6399 14.2603 14.2603 14.5757 14.5757 15.8952 15.8952 16.6416 16.6416 16.8415 16.8415 17.7228 17.7228 k = 0.0000 0.0000 0.0701 ( 3849 PWs) bands (ev): 0.3469 0.3469 3.0079 3.0079 3.7072 3.7072 4.4468 4.4468 5.5505 5.5505 6.2990 6.2990 7.1329 7.1329 7.4551 7.4551 7.5663 7.5663 7.7095 7.7095 7.8226 7.8226 8.2296 8.2296 8.3435 8.3435 8.7381 8.7381 8.9756 8.9756 9.2038 9.2038 9.3264 9.3264 9.9262 9.9262 10.0444 10.0444 10.2786 10.2786 10.5269 10.5269 10.6379 10.6379 10.7152 10.7152 10.9324 10.9324 11.3508 11.3508 11.8819 11.8819 12.2035 12.2035 12.6540 12.6540 14.2928 14.2928 14.5963 14.5963 15.8662 15.8662 16.5807 16.5807 16.8574 16.8574 17.7473 17.7473 k = 0.0000 0.0000 0.0818 ( 3845 PWs) bands (ev): 0.3678 0.3678 2.9363 2.9363 3.7330 3.7330 4.4385 4.4385 5.5341 5.5341 6.3919 6.3919 7.1315 7.1315 7.4619 7.4619 7.5701 7.5701 7.7125 7.7125 7.8186 7.8186 8.2207 8.2207 8.3550 8.3550 8.7039 8.7039 8.9434 8.9434 9.2000 9.2000 9.3286 9.3286 9.9025 9.9025 10.0351 10.0351 10.2688 10.2688 10.5138 10.5138 10.6140 10.6140 10.7062 10.7062 10.9196 10.9196 11.4243 11.4243 11.8444 11.8444 12.2883 12.2883 12.6712 12.6712 14.3282 14.3282 14.6215 14.6215 15.8314 15.8314 16.5089 16.5089 16.8784 16.8784 17.6631 17.6631 k = 0.0000 0.0000 0.0935 ( 3841 PWs) bands (ev): 0.3918 0.3918 2.8605 2.8605 3.7580 3.7580 4.4291 4.4291 5.5252 5.5252 6.4863 6.4863 7.1294 7.1294 7.4695 7.4695 7.5745 7.5745 7.7156 7.7156 7.8143 7.8143 8.2059 8.2059 8.3683 8.3683 8.6658 8.6658 8.9130 8.9130 9.1950 9.1950 9.3342 9.3342 9.8798 9.8798 10.0230 10.0230 10.2570 10.2570 10.5010 10.5010 10.5877 10.5877 10.6970 10.6970 10.9148 10.9148 11.4952 11.4952 11.8022 11.8022 12.3770 12.3770 12.6923 12.6923 14.3647 14.3647 14.6512 14.6512 15.7910 15.7910 16.4283 16.4283 16.9042 16.9042 17.5690 17.5690 k = 0.0000 0.0000 0.1052 ( 3835 PWs) bands (ev): 0.4189 0.4189 2.7812 2.7812 3.7821 3.7821 4.4186 4.4186 5.5237 5.5237 6.5811 6.5811 7.1262 7.1262 7.4777 7.4777 7.5794 7.5794 7.7185 7.7185 7.8099 7.8099 8.1833 8.1833 8.3827 8.3827 8.6271 8.6271 8.8862 8.8862 9.1894 9.1894 9.3414 9.3414 9.8590 9.8590 10.0077 10.0077 10.2428 10.2428 10.4894 10.4894 10.5596 10.5596 10.6881 10.6881 10.9180 10.9180 11.5619 11.5619 11.7559 11.7559 12.4673 12.4673 12.7182 12.7182 14.4005 14.4005 14.6847 14.6847 15.7458 15.7458 16.3418 16.3418 16.9344 16.9344 17.4845 17.4845 k = 0.0000 0.0000 0.1169 ( 3839 PWs) bands (ev): 0.4492 0.4492 2.6989 2.6989 3.8053 3.8053 4.4070 4.4070 5.5292 5.5292 6.6755 6.6755 7.1216 7.1216 7.4863 7.4863 7.5847 7.5847 7.7212 7.7212 7.8053 7.8053 8.1516 8.1516 8.3976 8.3976 8.5918 8.5918 8.8635 8.8635 9.1839 9.1839 9.3486 9.3486 9.8408 9.8408 9.9892 9.9892 10.2260 10.2260 10.4800 10.4800 10.5308 10.5308 10.6794 10.6794 10.9282 10.9282 11.6232 11.6232 11.7060 11.7060 12.5560 12.5560 12.7517 12.7517 14.4335 14.4335 14.7209 14.7209 15.6970 15.6970 16.2529 16.2529 16.9684 16.9684 17.4101 17.4101 k = 0.0000 0.0000 0.1286 ( 3839 PWs) bands (ev): 0.4826 0.4826 2.6143 2.6143 3.8277 3.8277 4.3945 4.3945 5.5415 5.5415 6.7686 6.7686 7.1150 7.1150 7.4951 7.4951 7.5901 7.5901 7.7234 7.7234 7.8008 7.8008 8.1108 8.1108 8.4122 8.4122 8.5633 8.5633 8.8447 8.8447 9.1785 9.1785 9.3547 9.3547 9.8258 9.8258 9.9677 9.9677 10.2068 10.2068 10.4720 10.4720 10.5033 10.5033 10.6708 10.6708 10.9450 10.9450 11.6503 11.6503 11.6808 11.6808 12.6373 12.6373 12.7978 12.7978 14.4615 14.4615 14.7573 14.7573 15.6462 15.6462 16.1653 16.1653 17.0056 17.0056 17.3461 17.3461 k = 0.0000 0.0000 0.1403 ( 3835 PWs) bands (ev): 0.5191 0.5191 2.5279 2.5279 3.8496 3.8496 4.3810 4.3810 5.5603 5.5603 6.8594 6.8594 7.1056 7.1056 7.5038 7.5038 7.5956 7.5956 7.7250 7.7250 7.7963 7.7963 8.0626 8.0626 8.4259 8.4259 8.5433 8.5433 8.8294 8.8294 9.1733 9.1733 9.3589 9.3589 9.8144 9.8144 9.9434 9.9434 10.1860 10.1860 10.4577 10.4577 10.4860 10.4860 10.6620 10.6620 10.9674 10.9674 11.5955 11.5955 11.7280 11.7280 12.7041 12.7041 12.8633 12.8633 14.4816 14.4816 14.7916 14.7916 15.5952 15.5952 16.0832 16.0832 17.0446 17.0446 17.2932 17.2932 k = 0.0000 0.0000 0.1520 ( 3827 PWs) bands (ev): 0.5587 0.5587 2.4401 2.4401 3.8708 3.8708 4.3667 4.3667 5.5853 5.5853 6.9470 6.9470 7.0924 7.0924 7.5120 7.5120 7.6009 7.6009 7.7258 7.7258 7.7919 7.7919 8.0110 8.0110 8.4380 8.4380 8.5318 8.5318 8.8173 8.8173 9.1679 9.1679 9.3608 9.3608 9.8067 9.8067 9.9171 9.9171 10.1648 10.1648 10.4316 10.4316 10.4844 10.4844 10.6527 10.6527 10.9950 10.9950 11.5375 11.5375 11.7689 11.7689 12.7561 12.7561 12.9482 12.9482 14.4898 14.4898 14.8225 14.8225 15.5447 15.5447 16.0113 16.0113 17.0826 17.0826 17.2541 17.2541 k = 0.0000 0.0000 0.1637 ( 3829 PWs) bands (ev): 0.6012 0.6012 2.3514 2.3514 3.8917 3.8917 4.3516 4.3516 5.6161 5.6161 7.0299 7.0299 7.0746 7.0746 7.5189 7.5189 7.6058 7.6058 7.7258 7.7258 7.7871 7.7871 7.9605 7.9605 8.4485 8.4485 8.5274 8.5274 8.8082 8.8082 9.1621 9.1621 9.3608 9.3608 9.8021 9.8021 9.8897 9.8897 10.1442 10.1442 10.4028 10.4028 10.4896 10.4896 10.6427 10.6427 11.0270 11.0270 11.4781 11.4781 11.8024 11.8024 12.8005 12.8005 13.0450 13.0450 14.4811 14.4811 14.8509 14.8509 15.4930 15.4930 15.9541 15.9541 17.1127 17.1127 17.2361 17.2361 k = 0.0000 0.0000 0.1754 ( 3832 PWs) bands (ev): 0.6468 0.6468 2.2622 2.2622 3.9122 3.9122 4.3357 4.3357 5.6525 5.6525 7.0487 7.0487 7.1093 7.1093 7.5235 7.5235 7.6106 7.6106 7.7250 7.7250 7.7817 7.7817 7.9162 7.9162 8.4576 8.4576 8.5282 8.5282 8.8017 8.8017 9.1551 9.1551 9.3594 9.3594 9.7987 9.7987 9.8634 9.8634 10.1252 10.1252 10.3746 10.3746 10.4985 10.4985 10.6320 10.6320 11.0623 11.0623 11.4183 11.4183 11.8282 11.8282 12.8427 12.8427 13.1482 13.1482 14.4516 14.4516 14.8801 14.8801 15.4361 15.4361 15.9144 15.9144 17.1266 17.1266 17.2486 17.2486 k = 0.0000 0.0000 0.1871 ( 3838 PWs) bands (ev): 0.6953 0.6953 2.1728 2.1728 3.9325 3.9325 4.3192 4.3192 5.6941 5.6941 7.0166 7.0166 7.1809 7.1809 7.5247 7.5247 7.6159 7.6159 7.7238 7.7238 7.7752 7.7752 7.8818 7.8818 8.4661 8.4661 8.5322 8.5322 8.7977 8.7977 9.1463 9.1463 9.3579 9.3579 9.7911 9.7911 9.8433 9.8433 10.1083 10.1083 10.3484 10.3484 10.5098 10.5098 10.6206 10.6206 11.0993 11.0993 11.3600 11.3600 11.8463 11.8463 12.8853 12.8853 13.2549 13.2549 14.4006 14.4006 14.9133 14.9133 15.3709 15.3709 15.8907 15.8907 17.1330 17.1330 17.2844 17.2844 k = 0.0000 0.0000 0.1987 ( 3844 PWs) bands (ev): 0.7467 0.7467 2.0836 2.0836 3.9526 3.9526 4.3021 4.3021 5.7407 5.7407 6.9754 6.9754 7.2454 7.2454 7.5219 7.5219 7.6227 7.6227 7.7225 7.7225 7.7682 7.7682 7.8584 7.8584 8.4746 8.4746 8.5380 8.5380 8.7960 8.7960 9.1348 9.1348 9.3577 9.3577 9.7722 9.7722 9.8361 9.8361 10.0932 10.0932 10.3257 10.3257 10.5227 10.5227 10.6088 10.6088 11.1333 11.1333 11.3081 11.3081 11.8566 11.8566 12.9297 12.9297 13.3638 13.3638 14.3310 14.3310 14.9513 14.9513 15.2971 15.2971 15.8770 15.8770 17.1467 17.1467 17.3299 17.3299 k = 0.0000 0.0000 0.2104 ( 3850 PWs) bands (ev): 0.8009 0.8009 1.9949 1.9949 3.9726 3.9726 4.2845 4.2845 5.7920 5.7920 6.9250 6.9250 7.3017 7.3017 7.5158 7.5158 7.6318 7.6318 7.7215 7.7215 7.7622 7.7622 7.8441 7.8441 8.4835 8.4835 8.5444 8.5444 8.7964 8.7964 9.1200 9.1200 9.3601 9.3601 9.7450 9.7450 9.8386 9.8386 10.0794 10.0794 10.3081 10.3081 10.5355 10.5355 10.5981 10.5981 11.1478 11.1478 11.2789 11.2789 11.8595 11.8595 12.9765 12.9765 13.4740 13.4740 14.2476 14.2476 14.9922 14.9922 15.2179 15.2179 15.8650 15.8650 17.1745 17.1745 17.3783 17.3783 k = 0.0000 0.0000 0.2221 ( 3854 PWs) bands (ev): 0.8580 0.8580 1.9070 1.9070 3.9925 3.9925 4.2664 4.2664 5.8476 5.8476 6.8661 6.8661 7.3490 7.3490 7.5082 7.5082 7.6434 7.6434 7.7208 7.7208 7.7585 7.7585 7.8355 7.8355 8.4926 8.4926 8.5511 8.5511 8.7991 8.7991 9.1017 9.1017 9.3659 9.3659 9.7148 9.7148 9.8450 9.8450 10.0656 10.0656 10.2974 10.2974 10.5434 10.5434 10.5929 10.5929 11.1216 11.1216 11.2937 11.2937 11.8549 11.8549 13.0262 13.0262 13.5848 13.5848 14.1556 14.1556 15.0235 15.0235 15.1470 15.1470 15.8482 15.8482 17.2178 17.2178 17.4267 17.4267 k = 0.0000 0.0000 0.2338 ( 3850 PWs) bands (ev): 0.9178 0.9178 1.8201 1.8201 4.0124 4.0124 4.2479 4.2479 5.9074 5.9074 6.7998 6.7998 7.3871 7.3871 7.5010 7.5010 7.6569 7.6569 7.7207 7.7207 7.7575 7.7575 7.8298 7.8298 8.5020 8.5020 8.5573 8.5573 8.8043 8.8043 9.0800 9.0800 9.3756 9.3756 9.6837 9.6837 9.8534 9.8534 10.0505 10.0505 10.2947 10.2947 10.5393 10.5393 10.6004 10.6004 11.0727 11.0727 11.3345 11.3345 11.8433 11.8433 13.0792 13.0792 13.6952 13.6952 14.0595 14.0595 14.9907 14.9907 15.1397 15.1397 15.8227 15.8227 17.2746 17.2746 17.4731 17.4731 k = 0.0000 0.0000 0.2455 ( 3852 PWs) bands (ev): 0.9803 0.9803 1.7344 1.7344 4.0323 4.0323 4.2290 4.2290 5.9711 5.9711 6.7279 6.7279 7.4165 7.4165 7.4952 7.4952 7.6712 7.6712 7.7209 7.7209 7.7590 7.7590 7.8252 7.8252 8.5115 8.5115 8.5624 8.5624 8.8128 8.8128 9.0552 9.0552 9.3893 9.3893 9.6523 9.6523 9.8632 9.8632 10.0335 10.0335 10.3004 10.3004 10.5253 10.5253 10.6183 10.6183 11.0183 11.0183 11.3841 11.3841 11.8248 11.8248 13.1360 13.1360 13.8006 13.8006 13.9669 13.9669 14.9040 14.9040 15.1860 15.1860 15.7875 15.7875 17.3402 17.3402 17.5157 17.5157 k = 0.0000 0.0000 0.2572 ( 3848 PWs) bands (ev): 1.0455 1.0455 1.6501 1.6501 4.0521 4.0521 4.2099 4.2099 6.0382 6.0382 6.6519 6.6519 7.4380 7.4380 7.4908 7.4908 7.6850 7.6850 7.7214 7.7214 7.7629 7.7629 7.8207 7.8207 8.5209 8.5209 8.5657 8.5657 8.8250 8.8250 9.0281 9.0281 9.4065 9.4065 9.6211 9.6211 9.8744 9.8744 10.0147 10.0147 10.3137 10.3137 10.5065 10.5065 10.6417 10.6417 10.9638 10.9638 11.4368 11.4368 11.7998 11.7998 13.1968 13.1968 13.8333 13.8333 13.9476 13.9476 14.8051 14.8051 15.2446 15.2446 15.7431 15.7431 17.4087 17.4087 17.5525 17.5525 k = 0.0000 0.0000 0.2689 ( 3848 PWs) bands (ev): 1.1131 1.1131 1.5674 1.5674 4.0720 4.0720 4.1906 4.1906 6.1086 6.1086 6.5735 6.5735 7.4534 7.4534 7.4875 7.4875 7.6970 7.6970 7.7217 7.7217 7.7689 7.7689 7.8156 7.8156 8.5302 8.5302 8.5667 8.5667 8.8412 8.8412 8.9995 8.9995 9.4268 9.4268 9.5902 9.5902 9.8870 9.8870 9.9947 9.9947 10.3330 10.3330 10.4849 10.4849 10.6689 10.6689 10.9112 10.9112 11.4905 11.4905 11.7687 11.7687 13.2620 13.2620 13.7503 13.7503 14.0461 14.0461 14.7015 14.7015 15.3077 15.3077 15.6910 15.6910 17.4738 17.4738 17.5815 17.5815 k = 0.0000 0.0000 0.2806 ( 3842 PWs) bands (ev): 1.1833 1.1833 1.4865 1.4865 4.0919 4.0919 4.1710 4.1710 6.1818 6.1818 6.4939 6.4939 7.4641 7.4641 7.4845 7.4845 7.7063 7.7063 7.7214 7.7214 7.7767 7.7767 7.8095 7.8095 8.5391 8.5391 8.5650 8.5650 8.8615 8.8615 8.9700 8.9700 9.4498 9.4498 9.5599 9.5599 9.9014 9.9014 9.9743 9.9743 10.3564 10.3564 10.4611 10.4611 10.6998 10.6998 10.8614 10.8614 11.5438 11.5438 11.7321 11.7321 13.3318 13.3318 13.6592 13.6592 14.1558 14.1558 14.5952 14.5952 15.3731 15.3731 15.6330 15.6330 17.5294 17.5294 17.6001 17.6001 k = 0.0000 0.0000 0.2923 ( 3836 PWs) bands (ev): 1.2558 1.2558 1.4075 1.4075 4.1118 4.1118 4.1514 4.1514 6.2575 6.2575 6.4141 6.4141 7.4718 7.4718 7.4813 7.4813 7.7130 7.7130 7.7201 7.7201 7.7854 7.7854 7.8024 7.8024 8.5475 8.5475 8.5610 8.5610 8.8854 8.8854 8.9406 8.9406 9.4751 9.4751 9.5304 9.5304 9.9174 9.9174 9.9542 9.9542 10.3822 10.3822 10.4356 10.4356 10.7343 10.7343 10.8152 10.8152 11.5955 11.5955 11.6905 11.6905 13.4065 13.4065 13.5706 13.5706 14.2667 14.2667 14.4869 14.4869 15.4395 15.4395 15.5708 15.5708 17.5712 17.5712 17.6060 17.6060 k = 0.0000 0.0000 0.3040 ( 3840 PWs) bands (ev): 1.3306 1.3306 1.3306 1.3306 4.1316 4.1316 4.1316 4.1316 6.3351 6.3351 6.3351 6.3351 7.4772 7.4772 7.4772 7.4772 7.7175 7.7175 7.7175 7.7175 7.7943 7.7943 7.7943 7.7943 8.5550 8.5550 8.5550 8.5550 8.9121 8.9121 8.9121 8.9121 9.5020 9.5020 9.5020 9.5020 9.9351 9.9351 9.9351 9.9351 10.4090 10.4090 10.4090 10.4090 10.7728 10.7728 10.7728 10.7728 11.6448 11.6448 11.6448 11.6448 13.4862 13.4862 13.4862 13.4862 14.3772 14.3772 14.3772 14.3772 15.5058 15.5058 15.5058 15.5058 17.5968 17.5968 17.5968 17.5968 k = 0.0000 0.0000 0.3040 ( 3840 PWs) bands (ev): 1.3306 1.3306 1.3306 1.3306 4.1316 4.1316 4.1316 4.1316 6.3351 6.3351 6.3351 6.3351 7.4772 7.4772 7.4772 7.4772 7.7175 7.7175 7.7175 7.7175 7.7943 7.7943 7.7943 7.7943 8.5550 8.5550 8.5550 8.5550 8.9121 8.9121 8.9121 8.9121 9.5020 9.5020 9.5020 9.5020 9.9351 9.9351 9.9351 9.9351 10.4090 10.4090 10.4090 10.4090 10.7728 10.7728 10.7728 10.7728 11.6448 11.6448 11.6448 11.6448 13.4862 13.4862 13.4862 13.4862 14.3772 14.3772 14.3772 14.3772 15.5058 15.5058 15.5058 15.5058 17.5968 17.5968 17.5968 17.5968 k = 0.0116-0.0000 0.3040 ( 3836 PWs) bands (ev): 1.3320 1.3320 1.3320 1.3320 4.1309 4.1309 4.1313 4.1313 6.3355 6.3355 6.3379 6.3379 7.4728 7.4728 7.4807 7.4807 7.7127 7.7127 7.7232 7.7232 7.7875 7.7875 7.8026 7.8026 8.5437 8.5437 8.5638 8.5638 8.9115 8.9115 8.9146 8.9146 9.4813 9.4813 9.5118 9.5118 9.9230 9.9230 9.9531 9.9531 10.4056 10.4056 10.4096 10.4096 10.7697 10.7697 10.7799 10.7799 11.6413 11.6413 11.6496 11.6496 13.4731 13.4731 13.4953 13.4953 14.3571 14.3571 14.3758 14.3758 15.5127 15.5127 15.5253 15.5253 17.5902 17.5902 17.6014 17.6014 k = 0.0233-0.0000 0.3040 ( 3836 PWs) bands (ev): 1.3364 1.3364 1.3364 1.3364 4.1291 4.1291 4.1300 4.1300 6.3389 6.3389 6.3438 6.3438 7.4674 7.4674 7.4833 7.4833 7.7092 7.7092 7.7293 7.7293 7.7830 7.7830 7.8122 7.8122 8.5302 8.5302 8.5699 8.5699 8.9134 8.9134 8.9187 8.9187 9.4509 9.4509 9.5105 9.5105 9.9165 9.9165 9.9760 9.9760 10.4006 10.4006 10.4065 10.4065 10.7709 10.7709 10.7903 10.7903 11.6392 11.6392 11.6557 11.6557 13.4556 13.4556 13.5005 13.5005 14.3191 14.3191 14.3533 14.3533 15.5453 15.5453 15.5679 15.5679 17.5813 17.5813 17.6034 17.6034 k = 0.0349-0.0000 0.3040 ( 3844 PWs) bands (ev): 1.3436 1.3436 1.3437 1.3437 4.1263 4.1263 4.1277 4.1277 6.3455 6.3455 6.3528 6.3528 7.4610 7.4610 7.4851 7.4851 7.7072 7.7072 7.7345 7.7345 7.7818 7.7818 7.8228 7.8228 8.5148 8.5148 8.5734 8.5734 8.9178 8.9178 8.9234 8.9234 9.4128 9.4128 9.4996 9.4996 9.9138 9.9138 10.0020 10.0020 10.3954 10.3954 10.3994 10.3994 10.7764 10.7764 10.8035 10.8035 11.6385 11.6385 11.6629 11.6629 13.4330 13.4330 13.5015 13.5015 14.2689 14.2689 14.3135 14.3135 15.5999 15.5999 15.6285 15.6285 17.5696 17.5696 17.6019 17.6019 k = 0.0465-0.0000 0.3040 ( 3846 PWs) bands (ev): 1.3538 1.3538 1.3538 1.3538 4.1225 4.1225 4.1244 4.1244 6.3551 6.3551 6.3649 6.3649 7.4536 7.4536 7.4861 7.4861 7.7068 7.7068 7.7377 7.7377 7.7848 7.7848 7.8342 7.8342 8.4979 8.4979 8.5744 8.5744 8.9244 8.9244 8.9278 8.9278 9.3692 9.3692 9.4819 9.4819 9.9122 9.9122 10.0299 10.0299 10.3884 10.3884 10.3915 10.3915 10.7858 10.7858 10.8186 10.8186 11.6392 11.6392 11.6712 11.6712 13.4044 13.4044 13.4977 13.4977 14.2128 14.2128 14.2624 14.2624 15.6712 15.6712 15.7018 15.7018 17.5540 17.5540 17.5949 17.5949 k = 0.0581-0.0000 0.3040 ( 3846 PWs) bands (ev): 1.3668 1.3668 1.3669 1.3669 4.1178 4.1178 4.1201 4.1201 6.3677 6.3677 6.3801 6.3801 7.4452 7.4452 7.4862 7.4862 7.7080 7.7080 7.7383 7.7383 7.7924 7.7924 7.8463 7.8463 8.4797 8.4797 8.5732 8.5732 8.9311 8.9311 8.9328 8.9328 9.3220 9.3220 9.4604 9.4604 9.9088 9.9088 10.0582 10.0582 10.3738 10.3738 10.3901 10.3901 10.7985 10.7985 10.8352 10.8352 11.6411 11.6411 11.6801 11.6801 13.3687 13.3687 13.4880 13.4880 14.1561 14.1561 14.2060 14.2060 15.7540 15.7540 15.7831 15.7831 17.5326 17.5326 17.5797 17.5797 k = 0.0698-0.0000 0.3040 ( 3850 PWs) bands (ev): 1.3827 1.3827 1.3828 1.3828 4.1120 4.1120 4.1149 4.1149 6.3832 6.3832 6.3982 6.3982 7.4358 7.4358 7.4857 7.4857 7.7107 7.7107 7.7372 7.7372 7.8035 7.8035 7.8587 7.8587 8.4606 8.4606 8.5703 8.5703 8.9322 8.9322 8.9420 8.9420 9.2731 9.2731 9.4380 9.4380 9.9014 9.9014 10.0861 10.0861 10.3564 10.3564 10.3922 10.3922 10.8136 10.8136 10.8526 10.8526 11.6443 11.6443 11.6896 11.6896 13.3254 13.3254 13.4709 13.4709 14.1030 14.1030 14.1498 14.1498 15.8437 15.8437 15.8690 15.8690 17.5026 17.5026 17.5522 17.5522 k = 0.0814-0.0000 0.3040 ( 3846 PWs) bands (ev): 1.4014 1.4014 1.4015 1.4015 4.1054 4.1054 4.1088 4.1088 6.4016 6.4016 6.4193 6.4193 7.4254 7.4254 7.4843 7.4843 7.7148 7.7148 7.7350 7.7350 7.8172 7.8172 7.8714 7.8714 8.4407 8.4407 8.5662 8.5662 8.9301 8.9301 8.9503 8.9503 9.2250 9.2250 9.4173 9.4173 9.8889 9.8889 10.1127 10.1127 10.3370 10.3370 10.3979 10.3979 10.8305 10.8305 10.8704 10.8704 11.6484 11.6484 11.6994 11.6994 13.2740 13.2740 13.4448 13.4448 14.0564 14.0564 14.0987 14.0987 15.9368 15.9368 15.9565 15.9565 17.4607 17.4607 17.5079 17.5079 k = 0.0930-0.0000 0.3040 ( 3848 PWs) bands (ev): 1.4229 1.4229 1.4231 1.4231 4.0978 4.0978 4.1018 4.1018 6.4228 6.4228 6.4431 6.4431 7.4139 7.4139 7.4820 7.4820 7.7201 7.7201 7.7321 7.7321 7.8326 7.8326 7.8840 7.8840 8.4202 8.4202 8.5612 8.5612 8.9242 8.9242 8.9549 8.9549 9.1810 9.1810 9.4001 9.4001 9.8710 9.8710 10.1373 10.1373 10.3162 10.3162 10.4071 10.4071 10.8485 10.8485 10.8883 10.8883 11.6533 11.6533 11.7091 11.7091 13.2151 13.2151 13.4085 13.4085 14.0175 14.0175 14.0558 14.0558 16.0304 16.0304 16.0434 16.0434 17.4037 17.4037 17.4434 17.4434 k = 0.1047-0.0000 0.3040 ( 3852 PWs) bands (ev): 1.4472 1.4472 1.4474 1.4474 4.0893 4.0893 4.0939 4.0939 6.4465 6.4465 6.4697 6.4697 7.4014 7.4014 7.4788 7.4788 7.7264 7.7264 7.7287 7.7287 7.8494 7.8494 7.8963 7.8963 8.3994 8.3994 8.5558 8.5558 8.9142 8.9142 8.9515 8.9515 9.1463 9.1463 9.3878 9.3878 9.8479 9.8479 10.1589 10.1589 10.2952 10.2952 10.4190 10.4190 10.8669 10.8669 10.9061 10.9061 11.6588 11.6588 11.7184 11.7184 13.1499 13.1499 13.3619 13.3619 13.9869 13.9869 14.0233 14.0233 16.1221 16.1221 16.1281 16.1281 17.3299 17.3299 17.3584 17.3584 k = 0.1163-0.0000 0.3040 ( 3848 PWs) bands (ev): 1.4742 1.4742 1.4746 1.4746 4.0801 4.0801 4.0854 4.0854 6.4727 6.4727 6.4989 6.4989 7.3877 7.3877 7.4743 7.4743 7.7244 7.7244 7.7336 7.7336 7.8672 7.8672 7.9079 7.9079 8.3785 8.3785 8.5503 8.5503 8.9005 8.9005 8.9353 8.9353 9.1263 9.1263 9.3810 9.3810 9.8205 9.8205 10.1758 10.1758 10.2760 10.2760 10.4330 10.4330 10.8853 10.8853 10.9236 10.9236 11.6645 11.6645 11.7270 11.7270 13.0799 13.0799 13.3059 13.3059 13.9638 13.9638 14.0012 14.0012 16.2088 16.2088 16.2096 16.2096 17.2401 17.2401 17.2556 17.2556 k = 0.1279-0.0000 0.3040 ( 3846 PWs) bands (ev): 1.5040 1.5040 1.5044 1.5044 4.0701 4.0701 4.0760 4.0760 6.5011 6.5011 6.5305 6.5305 7.3726 7.3726 7.4683 7.4683 7.7193 7.7193 7.7414 7.7414 7.8859 7.8859 7.9183 7.9183 8.3579 8.3579 8.5449 8.5449 8.8837 8.8837 8.9066 8.9066 9.1218 9.1218 9.3794 9.3794 9.7896 9.7896 10.1841 10.1841 10.2627 10.2627 10.4483 10.4483 10.9033 10.9033 10.9405 10.9405 11.6701 11.6701 11.7345 11.7345 13.0070 13.0070 13.2422 13.2422 13.9475 13.9475 13.9887 13.9887 16.2841 16.2841 16.2905 16.2905 17.1374 17.1374 17.1395 17.1395 k = 0.1395-0.0000 0.3040 ( 3850 PWs) bands (ev): 1.5364 1.5364 1.5370 1.5370 4.0593 4.0593 4.0661 4.0661 6.5316 6.5316 6.5643 6.5643 7.3561 7.3561 7.4602 7.4602 7.7131 7.7131 7.7497 7.7497 7.9049 7.9049 7.9272 7.9272 8.3382 8.3382 8.5399 8.5399 8.8653 8.8653 8.8710 8.8710 9.1282 9.1282 9.3825 9.3825 9.7562 9.7562 10.1788 10.1788 10.2605 10.2605 10.4641 10.4641 10.9204 10.9204 10.9567 10.9567 11.6753 11.6753 11.7406 11.7406 12.9328 12.9328 13.1731 13.1731 13.9370 13.9370 13.9842 13.9842 16.3526 16.3526 16.3617 16.3617 17.0142 17.0142 17.0261 17.0261 k = 0.1512-0.0000 0.3040 ( 3850 PWs) bands (ev): 1.5714 1.5714 1.5721 1.5721 4.0480 4.0480 4.0555 4.0555 6.5638 6.5638 6.6001 6.6001 7.3378 7.3378 7.4493 7.4493 7.7060 7.7060 7.7581 7.7581 7.9241 7.9241 7.9339 7.9339 8.3202 8.3202 8.5352 8.5352 8.8344 8.8344 8.8464 8.8464 9.1407 9.1407 9.3894 9.3894 9.7213 9.7213 10.1621 10.1621 10.2674 10.2674 10.4799 10.4799 10.9365 10.9365 10.9722 10.9722 11.6799 11.6799 11.7448 11.7448 12.8588 12.8588 13.1006 13.1006 13.9312 13.9312 13.9861 13.9861 16.4128 16.4128 16.4189 16.4189 16.8831 16.8831 16.9113 16.9113 k = 0.1628-0.0000 0.3040 ( 3858 PWs) bands (ev): 1.6090 1.6090 1.6099 1.6099 4.0360 4.0360 4.0443 4.0443 6.5973 6.5973 6.6377 6.6377 7.3175 7.3175 7.4346 7.4346 7.6983 7.6983 7.7665 7.7665 7.9380 7.9380 7.9427 7.9427 8.3050 8.3050 8.5312 8.5312 8.8010 8.8010 8.8282 8.8282 9.1566 9.1566 9.3991 9.3991 9.6857 9.6857 10.1401 10.1401 10.2774 10.2774 10.4952 10.4952 10.9511 10.9511 10.9868 10.9868 11.6833 11.6833 11.7469 11.7469 12.7862 12.7862 13.0263 13.0263 13.9294 13.9294 13.9930 13.9930 16.4543 16.4543 16.4626 16.4626 16.7488 16.7488 16.8004 16.8004 k = 0.1744-0.0000 0.3040 ( 3864 PWs) bands (ev): 1.6490 1.6490 1.6501 1.6501 4.0234 4.0234 4.0327 4.0327 6.6318 6.6318 6.6766 6.6766 7.2949 7.2949 7.4148 7.4148 7.6905 7.6905 7.7745 7.7745 7.9390 7.9390 7.9602 7.9602 8.2939 8.2939 8.5279 8.5279 8.7734 8.7734 8.8117 8.8117 9.1743 9.1743 9.4103 9.4103 9.6505 9.6505 10.1160 10.1160 10.2876 10.2876 10.5097 10.5097 10.9642 10.9642 11.0005 11.0005 11.6853 11.6853 11.7465 11.7465 12.7159 12.7159 12.9515 12.9515 13.9309 13.9309 14.0038 14.0038 16.4515 16.4515 16.4983 16.4983 16.6148 16.6148 16.7082 16.7082 k = 0.1860-0.0000 0.3040 ( 3862 PWs) bands (ev): 1.6915 1.6915 1.6929 1.6929 4.0104 4.0104 4.0207 4.0207 6.6666 6.6666 6.7166 6.7166 7.2698 7.2698 7.3888 7.3888 7.6835 7.6835 7.7818 7.7818 7.9368 7.9368 7.9758 7.9758 8.2883 8.2883 8.5258 8.5258 8.7535 8.7535 8.7974 8.7974 9.1931 9.1931 9.4219 9.4219 9.6170 9.6170 10.0912 10.0912 10.2968 10.2968 10.5232 10.5232 10.9756 10.9756 11.0133 11.0133 11.6855 11.6855 11.7435 11.7435 12.6483 12.6483 12.8771 12.8771 13.9351 13.9351 14.0177 14.0177 16.3921 16.3921 16.4620 16.4620 16.5385 16.5385 16.6514 16.6514 k = 0.1977-0.0000 0.3040 ( 3860 PWs) bands (ev): 1.7364 1.7364 1.7380 1.7380 3.9971 3.9971 4.0083 4.0083 6.7009 6.7009 6.7573 6.7573 7.2421 7.2421 7.3554 7.3554 7.6783 7.6783 7.7881 7.7881 7.9319 7.9319 7.9890 7.9890 8.2893 8.2893 8.5254 8.5254 8.7419 8.7419 8.7857 8.7857 9.2124 9.2124 9.4320 9.4320 9.5872 9.5872 10.0662 10.0662 10.3045 10.3045 10.5353 10.5353 10.9851 10.9851 11.0251 11.0251 11.6836 11.6836 11.7378 11.7378 12.5837 12.5837 12.8038 12.8038 13.9416 13.9416 14.0339 14.0339 16.2887 16.2887 16.3297 16.3297 16.5430 16.5430 16.6156 16.6156 k = 0.2093-0.0000 0.3040 ( 3864 PWs) bands (ev): 1.7834 1.7834 1.7854 1.7854 3.9833 3.9833 3.9957 3.9957 6.7334 6.7334 6.7979 6.7979 7.2122 7.2122 7.3143 7.3143 7.6755 7.6755 7.7927 7.7927 7.9251 7.9251 7.9993 7.9993 8.2977 8.2977 8.5276 8.5276 8.7388 8.7388 8.7766 8.7766 9.2319 9.2319 9.4376 9.4376 9.5643 9.5643 10.0415 10.0415 10.3104 10.3104 10.5460 10.5460 10.9928 10.9928 11.0359 11.0359 11.6793 11.6793 11.7294 11.7294 12.5222 12.5222 12.7318 12.7318 13.9501 13.9501 14.0519 14.0519 16.1660 16.1660 16.1930 16.1930 16.5362 16.5362 16.5760 16.5760 k = 0.2209-0.0000 0.3040 ( 3876 PWs) bands (ev): 1.8327 1.8327 1.8350 1.8350 3.9693 3.9693 3.9829 3.9829 6.7623 6.7623 6.8378 6.8378 7.1811 7.1811 7.2656 7.2656 7.6755 7.6755 7.7950 7.7950 7.9181 7.9181 8.0070 8.0070 8.3136 8.3136 8.5328 8.5328 8.7436 8.7436 8.7700 8.7700 9.2515 9.2515 9.4349 9.4349 9.5523 9.5523 10.0171 10.0171 10.3145 10.3145 10.5552 10.5552 10.9987 10.9987 11.0459 11.0459 11.6724 11.6724 11.7184 11.7184 12.4634 12.4634 12.6615 12.6615 13.9603 13.9603 14.0714 14.0714 16.0358 16.0358 16.0567 16.0567 16.5136 16.5136 16.5232 16.5232 k = 0.2326-0.0000 0.3040 ( 3876 PWs) bands (ev): 1.8840 1.8840 1.8867 1.8867 3.9552 3.9552 3.9699 3.9699 6.7845 6.7845 6.8759 6.8759 7.1511 7.1511 7.2104 7.2104 7.6784 7.6784 7.7946 7.7946 7.9124 7.9124 8.0129 8.0129 8.3363 8.3363 8.5415 8.5415 8.7557 8.7557 8.7657 8.7657 9.2712 9.2712 9.4230 9.4230 9.5525 9.5525 9.9933 9.9933 10.3167 10.3167 10.5626 10.5626 11.0029 11.0029 11.0549 11.0549 11.6627 11.6627 11.7050 11.7050 12.4069 12.4069 12.5928 12.5928 13.9719 13.9719 14.0919 14.0919 15.9025 15.9025 15.9221 15.9221 16.4570 16.4570 16.4755 16.4755 k = 0.2442-0.0000 0.3040 ( 3876 PWs) bands (ev): 1.9372 1.9372 1.9403 1.9403 3.9409 3.9409 3.9568 3.9568 6.7955 6.7955 6.9099 6.9099 7.1259 7.1259 7.1512 7.1512 7.6842 7.6842 7.7912 7.7912 7.9095 7.9095 8.0178 8.0178 8.3650 8.3650 8.5537 8.5537 8.7634 8.7634 8.7744 8.7744 9.2908 9.2908 9.4056 9.4056 9.5612 9.5612 9.9701 9.9701 10.3170 10.3170 10.5681 10.5681 11.0054 11.0054 11.0631 11.0631 11.6500 11.6500 11.6897 11.6897 12.3519 12.3519 12.5257 12.5257 13.9846 13.9846 14.1133 14.1133 15.7683 15.7683 15.7896 15.7896 16.3802 16.3802 16.4237 16.4237 k = 0.2558-0.0000 0.3040 ( 3876 PWs) bands (ev): 1.9923 1.9923 1.9959 1.9959 3.9265 3.9265 3.9438 3.9438 6.7901 6.7901 6.9334 6.9334 7.0948 7.0948 7.1107 7.1107 7.6924 7.6924 7.7855 7.7855 7.9098 7.9098 8.0226 8.0226 8.3988 8.3988 8.5694 8.5694 8.7629 8.7629 8.7991 8.7991 9.3104 9.3104 9.3873 9.3873 9.5746 9.5746 9.9475 9.9475 10.3154 10.3154 10.5718 10.5718 11.0064 11.0064 11.0704 11.0704 11.6342 11.6342 11.6726 11.6726 12.2978 12.2978 12.4600 12.4600 13.9984 13.9984 14.1352 14.1352 15.6344 15.6344 15.6600 15.6600 16.2964 16.2964 16.3608 16.3608 k = 0.2674-0.0000 0.3040 ( 3884 PWs) bands (ev): 2.0490 2.0490 2.0531 2.0531 3.9122 3.9122 3.9308 3.9308 6.7651 6.7651 6.9262 6.9262 7.0619 7.0619 7.1083 7.1083 7.7026 7.7026 7.7787 7.7787 7.9130 7.9130 8.0281 8.0281 8.4369 8.4369 8.5885 8.5885 8.7638 8.7638 8.8291 8.8291 9.3299 9.3299 9.3706 9.3706 9.5901 9.5901 9.9256 9.9256 10.3119 10.3119 10.5734 10.5734 11.0063 11.0063 11.0770 11.0770 11.6155 11.6155 11.6543 11.6543 12.2436 12.2436 12.3954 12.3954 14.0129 14.0129 14.1576 14.1576 15.5019 15.5019 15.5340 15.5340 16.2085 16.2085 16.2896 16.2896 k = 0.2791-0.0000 0.3040 ( 3880 PWs) bands (ev): 2.1072 2.1072 2.1119 2.1119 3.8979 3.8979 3.9180 3.9180 6.7221 6.7221 6.8746 6.8746 7.0669 7.0669 7.1173 7.1173 7.7143 7.7143 7.7717 7.7717 7.9187 7.9187 8.0349 8.0349 8.4786 8.4786 8.6109 8.6109 8.7661 8.7661 8.8638 8.8638 9.3494 9.3494 9.3570 9.3570 9.6068 9.6068 9.9044 9.9044 10.3066 10.3066 10.5730 10.5730 11.0052 11.0052 11.0828 11.0828 11.5938 11.5938 11.6350 11.6350 12.1885 12.1885 12.3314 12.3314 14.0280 14.0280 14.1802 14.1802 15.3717 15.3717 15.4121 15.4121 16.1191 16.1191 16.2126 16.2126 k = 0.2907-0.0000 0.3040 ( 3868 PWs) bands (ev): 2.1666 2.1666 2.1720 2.1720 3.8838 3.8838 3.9053 3.9053 6.6656 6.6656 6.8010 6.8010 7.0878 7.0878 7.1334 7.1334 7.7267 7.7267 7.7656 7.7656 7.9263 7.9263 8.0436 8.0436 8.5233 8.5233 8.6365 8.6365 8.7699 8.7699 8.9027 8.9027 9.3473 9.3473 9.3688 9.3688 9.6240 9.6240 9.8839 9.8839 10.2996 10.2996 10.5703 10.5703 11.0033 11.0033 11.0880 11.0880 11.5694 11.5694 11.6150 11.6150 12.1317 12.1317 12.2677 12.2677 14.0435 14.0435 14.2028 14.2028 15.2449 15.2449 15.2950 15.2950 16.0298 16.0298 16.1321 16.1321 k = 0.3023-0.0000 0.3040 ( 3866 PWs) bands (ev): 2.2272 2.2272 2.2333 2.2333 3.8699 3.8699 3.8929 3.8929 6.5996 6.5996 6.7193 6.7193 7.1116 7.1116 7.1529 7.1529 7.7392 7.7392 7.7605 7.7605 7.9354 7.9354 8.0543 8.0543 8.5704 8.5704 8.6653 8.6653 8.7756 8.7756 8.9452 8.9452 9.3418 9.3418 9.3883 9.3883 9.6414 9.6414 9.8641 9.8641 10.2910 10.2910 10.5653 10.5653 11.0011 11.0011 11.0926 11.0926 11.5425 11.5425 11.5946 11.5946 12.0725 12.0725 12.2037 12.2037 14.0590 14.0590 14.2254 14.2254 15.1223 15.1223 15.1837 15.1837 15.9419 15.9419 16.0498 16.0498 k = 0.3140-0.0000 0.3040 ( 3870 PWs) bands (ev): 2.2886 2.2886 2.2954 2.2954 3.8563 3.8563 3.8808 3.8808 6.5274 6.5274 6.6338 6.6338 7.1344 7.1344 7.1732 7.1732 7.7510 7.7510 7.7568 7.7568 7.9459 7.9459 8.0672 8.0672 8.6189 8.6189 8.6972 8.6972 8.7839 8.7839 8.9907 8.9907 9.3408 9.3408 9.4079 9.4079 9.6588 9.6588 9.8452 9.8452 10.2811 10.2811 10.5581 10.5581 10.9985 10.9985 11.0966 11.0966 11.5133 11.5133 11.5739 11.5739 12.0104 12.0104 12.1390 12.1390 14.0742 14.0742 14.2477 14.2477 15.0050 15.0050 15.0788 15.0788 15.8561 15.8561 15.9670 15.9670 k = 0.3256-0.0000 0.3040 ( 3866 PWs) bands (ev): 2.3506 2.3506 2.3582 2.3582 3.8431 3.8431 3.8690 3.8690 6.4512 6.4512 6.5465 6.5465 7.1554 7.1554 7.1926 7.1926 7.7543 7.7543 7.7615 7.7615 7.9576 7.9576 8.0819 8.0819 8.6671 8.6671 8.7320 8.7320 8.7967 8.7967 9.0387 9.0387 9.3443 9.3443 9.4275 9.4275 9.6762 9.6762 9.8272 9.8272 10.2700 10.2700 10.5484 10.5484 10.9960 10.9960 11.1000 11.1000 11.4824 11.4824 11.5530 11.5530 11.9451 11.9451 12.0731 12.0731 14.0886 14.0886 14.2694 14.2694 14.8941 14.8941 14.9813 14.9813 15.7729 15.7729 15.8849 15.8849 k = 0.3372-0.0000 0.3040 ( 3870 PWs) bands (ev): 2.4128 2.4128 2.4213 2.4213 3.8302 3.8302 3.8575 3.8575 6.3726 6.3726 6.4585 6.4585 7.1740 7.1740 7.2105 7.2105 7.7528 7.7528 7.7702 7.7702 7.9704 7.9704 8.0980 8.0980 8.7118 8.7118 8.7695 8.7695 8.8175 8.8175 9.0883 9.0883 9.3519 9.3519 9.4473 9.4473 9.6937 9.6937 9.8106 9.8106 10.2580 10.2580 10.5363 10.5363 10.9937 10.9937 11.1029 11.1029 11.4500 11.4500 11.5320 11.5320 11.8762 11.8762 12.0057 12.0057 14.1017 14.1017 14.2898 14.2898 14.7908 14.7908 14.8921 14.8921 15.6928 15.6928 15.8041 15.8041 k = 0.3488-0.0000 0.3040 ( 3862 PWs) bands (ev): 2.4750 2.4750 2.4844 2.4844 3.8179 3.8179 3.8465 3.8465 6.2930 6.2930 6.3709 6.3709 7.1905 7.1905 7.2263 7.2263 7.7522 7.7522 7.7771 7.7771 7.9840 7.9840 8.1147 8.1147 8.7484 8.7484 8.8095 8.8095 8.8507 8.8507 9.1385 9.1385 9.3635 9.3635 9.4672 9.4672 9.7113 9.7113 9.7959 9.7959 10.2454 10.2454 10.5218 10.5218 10.9916 10.9916 11.1050 11.1050 11.4167 11.4167 11.5109 11.5109 11.8038 11.8038 11.9365 11.9365 14.1127 14.1127 14.3077 14.3077 14.6970 14.6970 14.8124 14.8124 15.6158 15.6158 15.7251 15.7251 k = 0.3605-0.0000 0.3040 ( 3866 PWs) bands (ev): 2.5367 2.5367 2.5470 2.5470 3.8060 3.8060 3.8359 3.8359 6.2136 6.2136 6.2843 6.2843 7.2048 7.2048 7.2399 7.2399 7.7521 7.7521 7.7822 7.7822 7.9983 7.9983 8.1310 8.1310 8.7767 8.7767 8.8513 8.8513 8.8968 8.8968 9.1883 9.1883 9.3785 9.3785 9.4870 9.4870 9.7293 9.7293 9.7843 9.7843 10.2325 10.2325 10.5050 10.5050 10.9898 10.9898 11.1062 11.1062 11.3828 11.3828 11.4897 11.4897 11.7282 11.7282 11.8655 11.8655 14.1206 14.1206 14.3204 14.3204 14.6161 14.6161 14.7433 14.7433 15.5422 15.5422 15.6484 15.6484 k = 0.3721-0.0000 0.3040 ( 3870 PWs) bands (ev): 2.5974 2.5974 2.6086 2.6086 3.7948 3.7948 3.8257 3.8257 6.1353 6.1353 6.1997 6.1997 7.2173 7.2173 7.2513 7.2513 7.7524 7.7524 7.7855 7.7855 8.0131 8.0131 8.1460 8.1460 8.8010 8.8010 8.8945 8.8945 8.9510 8.9510 9.2361 9.2361 9.3966 9.3966 9.5061 9.5061 9.7480 9.7480 9.7773 9.7773 10.2196 10.2196 10.4859 10.4859 10.9883 10.9883 11.1062 11.1062 11.3490 11.3490 11.4681 11.4681 11.6500 11.6500 11.7930 11.7930 14.1244 14.1244 14.3223 14.3223 14.5539 14.5539 14.6860 14.6860 15.4721 15.4721 15.5742 15.5742 k = 0.3837-0.0000 0.3040 ( 3866 PWs) bands (ev): 2.6568 2.6568 2.6688 2.6688 3.7844 3.7844 3.8159 3.8159 6.0592 6.0592 6.1178 6.1178 7.2281 7.2281 7.2606 7.2606 7.7530 7.7530 7.7872 7.7872 8.0283 8.0283 8.1591 8.1591 8.8250 8.8250 8.9381 8.9381 9.0088 9.0088 9.2802 9.2802 9.4172 9.4172 9.5233 9.5233 9.7679 9.7679 9.7776 9.7776 10.2072 10.2072 10.4648 10.4648 10.9870 10.9870 11.1041 11.1041 11.3159 11.3159 11.4454 11.4454 11.5709 11.5709 11.7196 11.7196 14.1230 14.1230 14.3055 14.3055 14.5188 14.5188 14.6417 14.6417 15.4054 15.4054 15.5029 15.5029 k = 0.3953-0.0000 0.3040 ( 3872 PWs) bands (ev): 2.7141 2.7141 2.7268 2.7268 3.7747 3.7747 3.8066 3.8066 5.9864 5.9864 6.0394 6.0394 7.2374 7.2374 7.2680 7.2680 7.7537 7.7537 7.7877 7.7877 8.0435 8.0435 8.1697 8.1697 8.8506 8.8506 8.9811 8.9811 9.0675 9.0675 9.3189 9.3189 9.4395 9.4395 9.5369 9.5369 9.7883 9.7883 9.7897 9.7897 10.1956 10.1956 10.4419 10.4419 10.9854 10.9854 11.0987 11.0987 11.2845 11.2845 11.4185 11.4185 11.4950 11.4950 11.6463 11.6463 14.1162 14.1162 14.2697 14.2697 14.5109 14.5109 14.6106 14.6106 15.3424 15.3424 15.4346 15.4346 k = 0.4070-0.0000 0.3040 ( 3872 PWs) bands (ev): 2.7688 2.7688 2.7821 2.7821 3.7658 3.7658 3.7976 3.7976 5.9177 5.9177 5.9653 5.9653 7.2455 7.2455 7.2738 7.2738 7.7546 7.7546 7.7872 7.7872 8.0585 8.0585 8.1776 8.1776 8.8780 8.8780 9.0224 9.0224 9.1249 9.1249 9.3508 9.3508 9.4628 9.4628 9.5455 9.5455 9.8118 9.8118 9.8143 9.8143 10.1854 10.1854 10.4176 10.4176 10.9828 10.9828 11.0878 11.0878 11.2564 11.2564 11.3740 11.3740 11.4375 11.4375 11.5745 11.5745 14.1043 14.1043 14.2249 14.2249 14.5203 14.5203 14.5922 14.5922 15.2831 15.2831 15.3695 15.3695 k = 0.4186-0.0000 0.3040 ( 3878 PWs) bands (ev): 2.8202 2.8202 2.8337 2.8337 3.7581 3.7581 3.7891 3.7891 5.8542 5.8542 5.8965 5.8965 7.2526 7.2526 7.2782 7.2782 7.7556 7.7556 7.7859 7.7859 8.0733 8.0733 8.1828 8.1828 8.9074 8.9074 9.0604 9.0604 9.1793 9.1793 9.3755 9.3755 9.4859 9.4859 9.5492 9.5492 9.8427 9.8427 9.8478 9.8478 10.1773 10.1773 10.3924 10.3924 10.9776 10.9776 11.0686 11.0686 11.2333 11.2333 11.3069 11.3069 11.4063 11.4063 11.5063 11.5063 14.0886 14.0886 14.1798 14.1798 14.5381 14.5381 14.5851 14.5851 15.2279 15.2279 15.3079 15.3079 k = 0.4302-0.0000 0.3040 ( 3870 PWs) bands (ev): 2.8676 2.8676 2.8808 2.8808 3.7515 3.7515 3.7809 3.7809 5.7969 5.7969 5.8338 5.8338 7.2587 7.2587 7.2813 7.2813 7.7568 7.7568 7.7839 7.7839 8.0877 8.0877 8.1853 8.1853 8.9382 8.9382 9.0934 9.0934 9.2294 9.2294 9.3933 9.3933 9.5075 9.5075 9.5499 9.5499 9.8754 9.8754 9.8935 9.8935 10.1721 10.1721 10.3671 10.3671 10.9669 10.9669 11.0390 11.0390 11.2161 11.2161 11.2387 11.2387 11.3845 11.3845 11.4445 11.4445 14.0711 14.0711 14.1383 14.1383 14.5597 14.5597 14.5869 14.5869 15.1772 15.1772 15.2501 15.2501 k = 0.4419-0.0000 0.3040 ( 3866 PWs) bands (ev): 2.9100 2.9100 2.9226 2.9226 3.7462 3.7462 3.7731 3.7731 5.7468 5.7468 5.7781 5.7781 7.2640 7.2640 7.2833 7.2833 7.7581 7.7581 7.7815 7.7815 8.1015 8.1015 8.1854 8.1854 8.9699 8.9699 9.1195 9.1195 9.2741 9.2741 9.4051 9.4051 9.5264 9.5264 9.5497 9.5497 9.9127 9.9127 9.9440 9.9440 10.1712 10.1712 10.3426 10.3426 10.9459 10.9459 10.9989 10.9989 11.1826 11.1826 11.2037 11.2037 11.3659 11.3659 11.3918 11.3918 14.0536 14.0536 14.1022 14.1022 14.5827 14.5827 14.5952 14.5952 15.1316 15.1316 15.1966 15.1966 k = 0.4535-0.0000 0.3040 ( 3870 PWs) bands (ev): 2.9468 2.9468 2.9580 2.9580 3.7423 3.7423 3.7657 3.7657 5.7048 5.7048 5.7303 5.7303 7.2687 7.2687 7.2843 7.2843 7.7596 7.7596 7.7789 7.7789 8.1146 8.1146 8.1834 8.1834 9.0017 9.0017 9.1370 9.1370 9.3126 9.3126 9.4123 9.4123 9.5413 9.5413 9.5499 9.5499 9.9533 9.9533 9.9932 9.9932 10.1767 10.1767 10.3200 10.3200 10.9112 10.9112 10.9509 10.9509 11.1462 11.1462 11.1933 11.1933 11.3493 11.3493 11.3507 11.3507 14.0379 14.0379 14.0721 14.0721 14.6053 14.6053 14.6078 14.6078 15.0921 15.0921 15.1480 15.1480 k = 0.4651-0.0000 0.3040 ( 3870 PWs) bands (ev): 2.9769 2.9769 2.9862 2.9862 3.7401 3.7401 3.7589 3.7589 5.6719 5.6719 5.6913 5.6913 7.2727 7.2727 7.2846 7.2846 7.7613 7.7613 7.7761 7.7761 8.1270 8.1270 8.1795 8.1795 9.0330 9.0330 9.1446 9.1446 9.3449 9.3449 9.4160 9.4160 9.5513 9.5513 9.5518 9.5518 9.9941 9.9941 10.0338 10.0338 10.1912 10.1912 10.3005 10.3005 10.8671 10.8671 10.8993 10.8993 11.1293 11.1293 11.1821 11.1821 11.3227 11.3227 11.3345 11.3345 14.0250 14.0250 14.0481 14.0481 14.6223 14.6223 14.6256 14.6256 15.0602 15.0602 15.1053 15.1053 k = 0.4767-0.0000 0.3040 ( 3866 PWs) bands (ev): 2.9998 2.9998 3.0064 3.0064 3.7396 3.7396 3.7527 3.7527 5.6488 5.6488 5.6619 5.6619 7.2761 7.2761 7.2841 7.2841 7.7633 7.7633 7.7733 7.7733 8.1385 8.1385 8.1739 8.1739 9.0628 9.0628 9.1425 9.1425 9.3708 9.3708 9.4163 9.4163 9.5538 9.5538 9.5578 9.5578 10.0306 10.0306 10.0603 10.0603 10.2145 10.2145 10.2851 10.2851 10.8253 10.8253 10.8504 10.8504 11.1261 11.1261 11.1689 11.1689 11.3075 11.3075 11.3217 11.3217 14.0161 14.0161 14.0303 14.0303 14.6363 14.6363 14.6415 14.6415 15.0377 15.0377 15.0699 15.0699 k = 0.4884-0.0000 0.3040 ( 3872 PWs) bands (ev): 3.0145 3.0145 3.0179 3.0179 3.7407 3.7407 3.7475 3.7475 5.6360 5.6360 5.6426 5.6426 7.2789 7.2789 7.2829 7.2829 7.7655 7.7655 7.7705 7.7705 8.1490 8.1490 8.1669 8.1669 9.0901 9.0901 9.1315 9.1315 9.3906 9.3906 9.4128 9.4128 9.5567 9.5567 9.5600 9.5600 10.0573 10.0573 10.0722 10.0722 10.2397 10.2397 10.2727 10.2727 10.7976 10.7976 10.8121 10.8121 11.1312 11.1312 11.1547 11.1547 11.3024 11.3024 11.3114 11.3114 14.0117 14.0117 14.0185 14.0185 14.6474 14.6474 14.6511 14.6511 15.0268 15.0268 15.0438 15.0438 k = 0.5000-0.0000 0.3040 ( 3884 PWs) bands (ev): 3.0207 3.0207 3.0207 3.0207 3.7434 3.7434 3.7434 3.7434 5.6339 5.6339 5.6339 5.6339 7.2812 7.2812 7.2812 7.2812 7.7679 7.7679 7.7679 7.7679 8.1585 8.1585 8.1585 8.1585 9.1135 9.1135 9.1135 9.1135 9.4045 9.4045 9.4045 9.4045 9.5592 9.5592 9.5592 9.5592 10.0713 10.0713 10.0713 10.0713 10.2593 10.2593 10.2593 10.2593 10.7926 10.7926 10.7926 10.7926 11.1414 11.1414 11.1414 11.1414 11.3045 11.3045 11.3045 11.3045 14.0123 14.0123 14.0123 14.0123 14.6529 14.6529 14.6529 14.6529 15.0289 15.0289 15.0289 15.0289 k = 0.5000-0.0000 0.3040 ( 3884 PWs) bands (ev): 3.0207 3.0207 3.0207 3.0207 3.7434 3.7434 3.7434 3.7434 5.6339 5.6339 5.6339 5.6339 7.2812 7.2812 7.2812 7.2812 7.7679 7.7679 7.7679 7.7679 8.1585 8.1585 8.1585 8.1585 9.1135 9.1135 9.1135 9.1135 9.4045 9.4045 9.4045 9.4045 9.5592 9.5592 9.5592 9.5592 10.0713 10.0713 10.0713 10.0713 10.2593 10.2593 10.2593 10.2593 10.7926 10.7926 10.7926 10.7926 11.1414 11.1414 11.1414 11.1414 11.3045 11.3045 11.3045 11.3045 14.0123 14.0123 14.0123 14.0123 14.6529 14.6529 14.6529 14.6529 15.0289 15.0289 15.0289 15.0289 k = 0.5000 0.0115 0.3040 ( 3876 PWs) bands (ev): 3.0215 3.0215 3.0215 3.0215 3.7430 3.7430 3.7430 3.7430 5.6346 5.6346 5.6346 5.6346 7.2803 7.2803 7.2803 7.2803 7.7681 7.7681 7.7681 7.7681 8.1595 8.1595 8.1595 8.1595 9.1128 9.1128 9.1128 9.1128 9.3912 9.3912 9.3912 9.3912 9.5690 9.5690 9.5690 9.5690 10.0711 10.0711 10.0711 10.0711 10.2591 10.2591 10.2591 10.2591 10.7931 10.7931 10.7931 10.7931 11.1413 11.1413 11.1413 11.1413 11.3021 11.3021 11.3021 11.3021 14.0192 14.0192 14.0192 14.0192 14.6570 14.6570 14.6570 14.6570 15.0313 15.0313 15.0313 15.0313 k = 0.5000 0.0231 0.3040 ( 3868 PWs) bands (ev): 3.0240 3.0240 3.0240 3.0240 3.7419 3.7419 3.7419 3.7419 5.6366 5.6366 5.6366 5.6366 7.2777 7.2777 7.2777 7.2777 7.7688 7.7688 7.7688 7.7688 8.1624 8.1624 8.1624 8.1624 9.1106 9.1106 9.1106 9.1106 9.3585 9.3585 9.3585 9.3585 9.5915 9.5915 9.5915 9.5915 10.0707 10.0707 10.0707 10.0707 10.2584 10.2584 10.2584 10.2584 10.7946 10.7946 10.7946 10.7946 11.1409 11.1409 11.1409 11.1409 11.2952 11.2952 11.2952 11.2952 14.0396 14.0396 14.0396 14.0396 14.6693 14.6693 14.6693 14.6693 15.0388 15.0388 15.0388 15.0388 k = 0.5000 0.0346 0.3040 ( 3864 PWs) bands (ev): 3.0281 3.0281 3.0281 3.0281 3.7401 3.7401 3.7401 3.7401 5.6401 5.6401 5.6401 5.6401 7.2732 7.2732 7.2732 7.2732 7.7699 7.7699 7.7699 7.7699 8.1672 8.1672 8.1672 8.1672 9.1064 9.1064 9.1064 9.1064 9.3162 9.3162 9.3162 9.3162 9.6175 9.6175 9.6175 9.6175 10.0699 10.0699 10.0699 10.0699 10.2575 10.2575 10.2575 10.2575 10.7970 10.7970 10.7970 10.7970 11.1402 11.1402 11.1402 11.1402 11.2842 11.2842 11.2842 11.2842 14.0727 14.0727 14.0727 14.0727 14.6897 14.6897 14.6897 14.6897 15.0514 15.0514 15.0514 15.0514 k = 0.5000 0.0461 0.3040 ( 3860 PWs) bands (ev): 3.0338 3.0338 3.0338 3.0338 3.7375 3.7375 3.7375 3.7375 5.6449 5.6449 5.6449 5.6449 7.2668 7.2668 7.2668 7.2668 7.7715 7.7715 7.7715 7.7715 8.1738 8.1738 8.1738 8.1738 9.0995 9.0995 9.0995 9.0995 9.2702 9.2702 9.2702 9.2702 9.6424 9.6424 9.6424 9.6424 10.0685 10.0685 10.0685 10.0685 10.2565 10.2565 10.2565 10.2565 10.8000 10.8000 10.8000 10.8000 11.1390 11.1390 11.1390 11.1390 11.2700 11.2700 11.2700 11.2700 14.1173 14.1173 14.1173 14.1173 14.7181 14.7181 14.7181 14.7181 15.0695 15.0695 15.0695 15.0695 k = 0.5000 0.0576 0.3040 ( 3868 PWs) bands (ev): 3.0411 3.0411 3.0411 3.0411 3.7342 3.7342 3.7342 3.7342 5.6511 5.6511 5.6511 5.6511 7.2585 7.2585 7.2585 7.2585 7.7734 7.7734 7.7734 7.7734 8.1820 8.1820 8.1820 8.1820 9.0876 9.0876 9.0876 9.0876 9.2248 9.2248 9.2248 9.2248 9.6646 9.6646 9.6646 9.6646 10.0663 10.0663 10.0663 10.0663 10.2555 10.2555 10.2555 10.2555 10.8035 10.8035 10.8035 10.8035 11.1372 11.1372 11.1372 11.1372 11.2538 11.2538 11.2538 11.2538 14.1721 14.1721 14.1721 14.1721 14.7542 14.7542 14.7542 14.7542 15.0938 15.0938 15.0938 15.0938 k = 0.5000 0.0692 0.3040 ( 3864 PWs) bands (ev): 3.0499 3.0499 3.0499 3.0499 3.7302 3.7302 3.7302 3.7302 5.6589 5.6589 5.6589 5.6589 7.2480 7.2480 7.2480 7.2480 7.7758 7.7758 7.7758 7.7758 8.1915 8.1915 8.1915 8.1915 9.0670 9.0670 9.0670 9.0670 9.1854 9.1854 9.1854 9.1854 9.6833 9.6833 9.6833 9.6833 10.0633 10.0633 10.0633 10.0633 10.2549 10.2549 10.2549 10.2549 10.8070 10.8070 10.8070 10.8070 11.1345 11.1345 11.1345 11.1345 11.2369 11.2369 11.2369 11.2369 14.2353 14.2353 14.2353 14.2353 14.7976 14.7976 14.7976 14.7976 15.1251 15.1251 15.1251 15.1251 k = 0.5000 0.0807 0.3040 ( 3872 PWs) bands (ev): 3.0602 3.0602 3.0602 3.0602 3.7254 3.7254 3.7254 3.7254 5.6682 5.6682 5.6682 5.6682 7.2354 7.2354 7.2354 7.2354 7.7786 7.7786 7.7786 7.7786 8.2022 8.2022 8.2022 8.2022 9.0338 9.0338 9.0338 9.0338 9.1570 9.1570 9.1570 9.1570 9.6980 9.6980 9.6980 9.6980 10.0593 10.0593 10.0593 10.0593 10.2549 10.2549 10.2549 10.2549 10.8100 10.8100 10.8100 10.8100 11.1305 11.1305 11.1305 11.1305 11.2209 11.2209 11.2209 11.2209 14.3050 14.3050 14.3050 14.3050 14.8475 14.8475 14.8475 14.8475 15.1647 15.1647 15.1647 15.1647 k = 0.5000 0.0922 0.3040 ( 3876 PWs) bands (ev): 3.0719 3.0719 3.0719 3.0719 3.7199 3.7199 3.7199 3.7199 5.6792 5.6792 5.6792 5.6792 7.2202 7.2202 7.2202 7.2202 7.7818 7.7818 7.7818 7.7818 8.2135 8.2135 8.2135 8.2135 8.9898 8.9898 8.9898 8.9898 9.1388 9.1388 9.1388 9.1388 9.7089 9.7089 9.7089 9.7089 10.0543 10.0543 10.0543 10.0543 10.2555 10.2555 10.2555 10.2555 10.8119 10.8119 10.8119 10.8119 11.1247 11.1247 11.1247 11.1247 11.2074 11.2074 11.2074 11.2074 14.3795 14.3795 14.3795 14.3795 14.9025 14.9025 14.9025 14.9025 15.2143 15.2143 15.2143 15.2143 k = 0.5000 0.1038 0.3040 ( 3872 PWs) bands (ev): 3.0849 3.0849 3.0849 3.0849 3.7136 3.7136 3.7136 3.7136 5.6919 5.6919 5.6919 5.6919 7.2025 7.2025 7.2025 7.2025 7.7855 7.7855 7.7855 7.7855 8.2252 8.2252 8.2252 8.2252 8.9406 8.9406 8.9406 8.9406 9.1264 9.1264 9.1264 9.1264 9.7160 9.7160 9.7160 9.7160 10.0484 10.0484 10.0484 10.0484 10.2568 10.2568 10.2568 10.2568 10.8122 10.8122 10.8122 10.8122 11.1173 11.1173 11.1173 11.1173 11.1975 11.1975 11.1975 11.1975 14.4571 14.4571 14.4571 14.4571 14.9608 14.9608 14.9608 14.9608 15.2759 15.2759 15.2759 15.2759 k = 0.5000 0.1153 0.3040 ( 3872 PWs) bands (ev): 3.0992 3.0992 3.0992 3.0992 3.7067 3.7067 3.7067 3.7067 5.7063 5.7063 5.7063 5.7063 7.1819 7.1819 7.1819 7.1819 7.7895 7.7895 7.7895 7.7895 8.2365 8.2365 8.2365 8.2365 8.8905 8.8905 8.8905 8.8905 9.1165 9.1165 9.1165 9.1165 9.7194 9.7194 9.7194 9.7194 10.0416 10.0416 10.0416 10.0416 10.2590 10.2590 10.2590 10.2590 10.8102 10.8102 10.8102 10.8102 11.1090 11.1090 11.1090 11.1090 11.1912 11.1912 11.1912 11.1912 14.5365 14.5365 14.5365 14.5365 15.0205 15.0205 15.0205 15.0205 15.3512 15.3512 15.3512 15.3512 k = 0.5000 0.1268 0.3040 ( 3872 PWs) bands (ev): 3.1147 3.1147 3.1147 3.1147 3.6990 3.6990 3.6990 3.6990 5.7227 5.7227 5.7227 5.7227 7.1583 7.1583 7.1583 7.1583 7.7940 7.7940 7.7940 7.7940 8.2468 8.2468 8.2468 8.2468 8.8423 8.8423 8.8423 8.8423 9.1077 9.1077 9.1077 9.1077 9.7194 9.7194 9.7194 9.7194 10.0343 10.0343 10.0343 10.0343 10.2620 10.2620 10.2620 10.2620 10.8053 10.8053 10.8053 10.8053 11.1013 11.1013 11.1013 11.1013 11.1880 11.1880 11.1880 11.1880 14.6170 14.6170 14.6170 14.6170 15.0804 15.0804 15.0804 15.0804 15.4411 15.4411 15.4411 15.4411 k = 0.5000 0.1384 0.3040 ( 3872 PWs) bands (ev): 3.1312 3.1312 3.1312 3.1312 3.6905 3.6905 3.6905 3.6905 5.7411 5.7411 5.7411 5.7411 7.1315 7.1315 7.1315 7.1315 7.7990 7.7990 7.7990 7.7990 8.2550 8.2550 8.2550 8.2550 8.7982 8.7982 8.7982 8.7982 9.0991 9.0991 9.0991 9.0991 9.7163 9.7163 9.7163 9.7163 10.0265 10.0265 10.0265 10.0265 10.2658 10.2658 10.2658 10.2658 10.7972 10.7972 10.7972 10.7972 11.0954 11.0954 11.0954 11.0954 11.1871 11.1871 11.1871 11.1871 14.6979 14.6979 14.6979 14.6979 15.1400 15.1400 15.1400 15.1400 15.5451 15.5451 15.5451 15.5451 k = 0.5000 0.1499 0.3040 ( 3872 PWs) bands (ev): 3.1487 3.1487 3.1487 3.1487 3.6813 3.6813 3.6813 3.6813 5.7615 5.7615 5.7615 5.7615 7.1013 7.1013 7.1013 7.1013 7.8044 7.8044 7.8044 7.8044 8.2603 8.2603 8.2603 8.2603 8.7599 8.7599 8.7599 8.7599 9.0904 9.0904 9.0904 9.0904 9.7105 9.7105 9.7105 9.7105 10.0184 10.0184 10.0184 10.0184 10.2705 10.2705 10.2705 10.2705 10.7860 10.7860 10.7860 10.7860 11.0919 11.0919 11.0919 11.0919 11.1877 11.1877 11.1877 11.1877 14.7791 14.7791 14.7791 14.7791 15.1997 15.1997 15.1997 15.1997 15.6619 15.6619 15.6619 15.6619 k = 0.5000 0.1614 0.3040 ( 3868 PWs) bands (ev): 3.1671 3.1671 3.1671 3.1671 3.6714 3.6714 3.6714 3.6714 5.7841 5.7841 5.7841 5.7841 7.0676 7.0676 7.0676 7.0676 7.8102 7.8102 7.8102 7.8102 8.2615 8.2615 8.2615 8.2615 8.7289 8.7289 8.7289 8.7289 9.0814 9.0814 9.0814 9.0814 9.7025 9.7025 9.7025 9.7025 10.0103 10.0103 10.0103 10.0103 10.2759 10.2759 10.2759 10.2759 10.7720 10.7720 10.7720 10.7720 11.0909 11.0909 11.0909 11.0909 11.1895 11.1895 11.1895 11.1895 14.8606 14.8606 14.8606 14.8606 15.2601 15.2601 15.2601 15.2601 15.7895 15.7895 15.7895 15.7895 k = 0.5000 0.1729 0.3040 ( 3872 PWs) bands (ev): 3.1863 3.1863 3.1863 3.1863 3.6608 3.6608 3.6608 3.6608 5.8089 5.8089 5.8089 5.8089 7.0304 7.0304 7.0304 7.0304 7.8166 7.8166 7.8166 7.8166 8.2580 8.2580 8.2580 8.2580 8.7064 8.7064 8.7064 8.7064 9.0718 9.0718 9.0718 9.0718 9.6927 9.6927 9.6927 9.6927 10.0021 10.0021 10.0021 10.0021 10.2822 10.2822 10.2822 10.2822 10.7558 10.7558 10.7558 10.7558 11.0922 11.0922 11.0922 11.0922 11.1920 11.1920 11.1920 11.1920 14.9426 14.9426 14.9426 14.9426 15.3218 15.3218 15.3218 15.3218 15.9256 15.9256 15.9256 15.9256 k = 0.5000 0.1845 0.3040 ( 3872 PWs) bands (ev): 3.2061 3.2061 3.2061 3.2061 3.6495 3.6495 3.6495 3.6495 5.8360 5.8360 5.8360 5.8360 6.9897 6.9897 6.9897 6.9897 7.8233 7.8233 7.8233 7.8233 8.2494 8.2494 8.2494 8.2494 8.6927 8.6927 8.6927 8.6927 9.0615 9.0615 9.0615 9.0615 9.6815 9.6815 9.6815 9.6815 9.9939 9.9939 9.9939 9.9939 10.2893 10.2893 10.2893 10.2893 10.7380 10.7380 10.7380 10.7380 11.0951 11.0951 11.0951 11.0951 11.1951 11.1951 11.1951 11.1951 15.0252 15.0252 15.0252 15.0252 15.3853 15.3853 15.3853 15.3853 16.0680 16.0680 16.0680 16.0680 k = 0.5000 0.1960 0.3040 ( 3872 PWs) bands (ev): 3.2265 3.2265 3.2265 3.2265 3.6374 3.6374 3.6374 3.6374 5.8655 5.8655 5.8655 5.8655 6.9457 6.9457 6.9457 6.9457 7.8305 7.8305 7.8305 7.8305 8.2365 8.2365 8.2365 8.2365 8.6875 8.6875 8.6875 8.6875 9.0506 9.0506 9.0506 9.0506 9.6695 9.6695 9.6695 9.6695 9.9859 9.9859 9.9859 9.9859 10.2971 10.2971 10.2971 10.2971 10.7190 10.7190 10.7190 10.7190 11.0993 11.0993 11.0993 11.0993 11.1985 11.1985 11.1985 11.1985 15.1087 15.1087 15.1087 15.1087 15.4508 15.4508 15.4508 15.4508 16.2142 16.2142 16.2142 16.2142 k = 0.5000 0.2075 0.3040 ( 3872 PWs) bands (ev): 3.2473 3.2473 3.2473 3.2473 3.6246 3.6246 3.6246 3.6246 5.8974 5.8974 5.8974 5.8974 6.8986 6.8986 6.8986 6.8986 7.8381 7.8381 7.8381 7.8381 8.2201 8.2201 8.2201 8.2201 8.6895 8.6895 8.6895 8.6895 9.0388 9.0388 9.0388 9.0388 9.6572 9.6572 9.6572 9.6572 9.9782 9.9782 9.9782 9.9782 10.3057 10.3057 10.3057 10.3057 10.6994 10.6994 10.6994 10.6994 11.1042 11.1042 11.1042 11.1042 11.2021 11.2021 11.2021 11.2021 15.1932 15.1932 15.1932 15.1932 15.5186 15.5186 15.5186 15.5186 16.3611 16.3611 16.3611 16.3611 k = 0.5000 0.2191 0.3040 ( 3852 PWs) bands (ev): 3.2684 3.2684 3.2684 3.2684 3.6111 3.6111 3.6111 3.6111 5.9318 5.9318 5.9318 5.9318 6.8488 6.8488 6.8488 6.8488 7.8460 7.8460 7.8460 7.8460 8.2016 8.2016 8.2016 8.2016 8.6975 8.6975 8.6975 8.6975 9.0262 9.0262 9.0262 9.0262 9.6449 9.6449 9.6449 9.6449 9.9707 9.9707 9.9707 9.9707 10.3151 10.3151 10.3151 10.3151 10.6796 10.6796 10.6796 10.6796 11.1095 11.1095 11.1095 11.1095 11.2058 11.2058 11.2058 11.2058 15.2788 15.2788 15.2788 15.2788 15.5884 15.5884 15.5884 15.5884 16.5036 16.5036 16.5036 16.5036 k = 0.5000 0.2306 0.3040 ( 3852 PWs) bands (ev): 3.2897 3.2897 3.2897 3.2897 3.5969 3.5969 3.5969 3.5969 5.9686 5.9686 5.9686 5.9686 6.7965 6.7965 6.7965 6.7965 7.8541 7.8541 7.8541 7.8541 8.1823 8.1823 8.1823 8.1823 8.7099 8.7099 8.7099 8.7099 9.0126 9.0126 9.0126 9.0126 9.6331 9.6331 9.6331 9.6331 9.9636 9.9636 9.9636 9.9636 10.3250 10.3250 10.3250 10.3250 10.6599 10.6599 10.6599 10.6599 11.1149 11.1149 11.1149 11.1149 11.2094 11.2094 11.2094 11.2094 15.3657 15.3657 15.3657 15.3657 15.6602 15.6602 15.6602 15.6602 16.6330 16.6330 16.6330 16.6330 k = 0.5000 0.2421 0.3040 ( 3856 PWs) bands (ev): 3.3111 3.3111 3.3111 3.3111 3.5820 3.5820 3.5820 3.5820 6.0079 6.0079 6.0079 6.0079 6.7423 6.7423 6.7423 6.7423 7.8623 7.8623 7.8623 7.8623 8.1632 8.1632 8.1632 8.1632 8.7256 8.7256 8.7256 8.7256 8.9981 8.9981 8.9981 8.9981 9.6221 9.6221 9.6221 9.6221 9.9569 9.9569 9.9569 9.9569 10.3354 10.3354 10.3354 10.3354 10.6406 10.6406 10.6406 10.6406 11.1200 11.1200 11.1200 11.1200 11.2127 11.2127 11.2127 11.2127 15.4539 15.4539 15.4539 15.4539 15.7336 15.7336 15.7336 15.7336 16.7324 16.7324 16.7324 16.7324 k = 0.5000 0.2537 0.3040 ( 3860 PWs) bands (ev): 3.3325 3.3325 3.3325 3.3325 3.5665 3.5665 3.5665 3.5665 6.0497 6.0497 6.0497 6.0497 6.6865 6.6865 6.6865 6.6865 7.8705 7.8705 7.8705 7.8705 8.1449 8.1449 8.1449 8.1449 8.7437 8.7437 8.7437 8.7437 8.9825 8.9825 8.9825 8.9825 9.6120 9.6120 9.6120 9.6120 9.9509 9.9509 9.9509 9.9509 10.3460 10.3460 10.3460 10.3460 10.6221 10.6221 10.6221 10.6221 11.1249 11.1249 11.1249 11.1249 11.2158 11.2158 11.2158 11.2158 15.5432 15.5432 15.5432 15.5432 15.8078 15.8078 15.8078 15.8078 16.7770 16.7770 16.7770 16.7770 k = 0.5000 0.2652 0.3040 ( 3872 PWs) bands (ev): 3.3538 3.3538 3.3538 3.3538 3.5503 3.5503 3.5503 3.5503 6.0937 6.0937 6.0937 6.0937 6.6298 6.6298 6.6298 6.6298 7.8784 7.8784 7.8784 7.8784 8.1282 8.1282 8.1282 8.1282 8.7632 8.7632 8.7632 8.7632 8.9661 8.9661 8.9661 8.9661 9.6033 9.6033 9.6033 9.6033 9.9456 9.9456 9.9456 9.9456 10.3567 10.3567 10.3567 10.3567 10.6047 10.6047 10.6047 10.6047 11.1291 11.1291 11.1291 11.1291 11.2184 11.2184 11.2184 11.2184 15.6336 15.6336 15.6336 15.6336 15.8820 15.8820 15.8820 15.8820 16.7436 16.7436 16.7436 16.7436 k = 0.5000 0.2767 0.3040 ( 3864 PWs) bands (ev): 3.3748 3.3748 3.3748 3.3748 3.5336 3.5336 3.5336 3.5336 6.1401 6.1401 6.1401 6.1401 6.5725 6.5725 6.5725 6.5725 7.8858 7.8858 7.8858 7.8858 8.1135 8.1135 8.1135 8.1135 8.7838 8.7838 8.7838 8.7838 8.9487 8.9487 8.9487 8.9487 9.5959 9.5959 9.5959 9.5959 9.9410 9.9410 9.9410 9.9410 10.3670 10.3670 10.3670 10.3670 10.5889 10.5889 10.5889 10.5889 11.1328 11.1328 11.1328 11.1328 11.2207 11.2207 11.2207 11.2207 15.7245 15.7245 15.7245 15.7245 15.9541 15.9541 15.9541 15.9541 16.6556 16.6556 16.6556 16.6556 k = 0.5000 0.2882 0.3040 ( 3852 PWs) bands (ev): 3.3954 3.3954 3.3954 3.3954 3.5163 3.5163 3.5163 3.5163 6.1887 6.1887 6.1887 6.1887 6.5150 6.5150 6.5150 6.5150 7.8922 7.8922 7.8922 7.8922 8.1014 8.1014 8.1014 8.1014 8.8048 8.8048 8.8048 8.8048 8.9305 8.9305 8.9305 8.9305 9.5901 9.5901 9.5901 9.5901 9.9374 9.9374 9.9374 9.9374 10.3763 10.3763 10.3763 10.3763 10.5752 10.5752 10.5752 10.5752 11.1358 11.1358 11.1358 11.1358 11.2224 11.2224 11.2224 11.2224 15.8150 15.8150 15.8150 15.8150 16.0199 16.0199 16.0199 16.0199 16.5656 16.5656 16.5656 16.5656 k = 0.5000 0.2998 0.3040 ( 3860 PWs) bands (ev): 3.4153 3.4153 3.4153 3.4153 3.4989 3.4989 3.4989 3.4989 6.2392 6.2392 6.2392 6.2392 6.4580 6.4580 6.4580 6.4580 7.8973 7.8973 7.8973 7.8973 8.0922 8.0922 8.0922 8.0922 8.8257 8.8257 8.8257 8.8257 8.9117 8.9117 8.9117 8.9117 9.5860 9.5860 9.5860 9.5860 9.9348 9.9348 9.9348 9.9348 10.3840 10.3840 10.3840 10.3840 10.5644 10.5644 10.5644 10.5644 11.1379 11.1379 11.1379 11.1379 11.2237 11.2237 11.2237 11.2237 15.9030 15.9030 15.9030 15.9030 16.0702 16.0702 16.0702 16.0702 16.4918 16.4918 16.4918 16.4918 k = 0.5000 0.3113 0.3040 ( 3868 PWs) bands (ev): 3.4335 3.4335 3.4335 3.4335 3.4822 3.4822 3.4822 3.4822 6.2915 6.2915 6.2915 6.2915 6.4017 6.4017 6.4017 6.4017 7.9006 7.9006 7.9006 7.9006 8.0865 8.0865 8.0865 8.0865 8.8458 8.8458 8.8458 8.8458 8.8930 8.8930 8.8930 8.8930 9.5834 9.5834 9.5834 9.5834 9.9331 9.9331 9.9331 9.9331 10.3892 10.3892 10.3892 10.3892 10.5574 10.5574 10.5574 10.5574 11.1393 11.1393 11.1393 11.1393 11.2245 11.2245 11.2245 11.2245 15.9834 15.9834 15.9834 15.9834 16.0881 16.0881 16.0881 16.0881 16.4513 16.4513 16.4513 16.4513 k = 0.5000 0.3228 0.3040 ( 3880 PWs) bands (ev): 3.4437 3.4437 3.4437 3.4437 3.4725 3.4725 3.4725 3.4725 6.3393 6.3393 6.3393 6.3393 6.3525 6.3525 6.3525 6.3525 7.9017 7.9017 7.9017 7.9017 8.0845 8.0845 8.0845 8.0845 8.8586 8.8586 8.8586 8.8586 8.8806 8.8806 8.8806 8.8806 9.5826 9.5826 9.5826 9.5826 9.9326 9.9326 9.9326 9.9326 10.3910 10.3910 10.3910 10.3910 10.5549 10.5549 10.5549 10.5549 11.1397 11.1397 11.1397 11.1397 11.2248 11.2248 11.2248 11.2248 16.0328 16.0328 16.0328 16.0328 16.0735 16.0735 16.0735 16.0735 16.4458 16.4458 16.4458 16.4458 k = 0.5000 0.3228 0.3040 ( 3880 PWs) bands (ev): 3.4437 3.4437 3.4437 3.4437 3.4725 3.4725 3.4725 3.4725 6.3393 6.3393 6.3393 6.3393 6.3525 6.3525 6.3525 6.3525 7.9017 7.9017 7.9017 7.9017 8.0845 8.0845 8.0845 8.0845 8.8586 8.8586 8.8586 8.8586 8.8806 8.8806 8.8806 8.8806 9.5826 9.5826 9.5826 9.5826 9.9326 9.9326 9.9326 9.9326 10.3910 10.3910 10.3910 10.3910 10.5549 10.5549 10.5549 10.5549 11.1397 11.1397 11.1397 11.1397 11.2248 11.2248 11.2248 11.2248 16.0328 16.0328 16.0328 16.0328 16.0735 16.0735 16.0735 16.0735 16.4458 16.4458 16.4458 16.4458 k = 0.4884 0.3228 0.3040 ( 3872 PWs) bands (ev): 3.4282 3.4282 3.4282 3.4282 3.4847 3.4847 3.4847 3.4847 6.3185 6.3185 6.3185 6.3185 6.3764 6.3764 6.3764 6.3764 7.9005 7.9005 7.9005 7.9005 8.0849 8.0849 8.0849 8.0849 8.8393 8.8393 8.8393 8.8393 8.8997 8.8997 8.8997 8.8997 9.5800 9.5800 9.5800 9.5800 9.9321 9.9321 9.9321 9.9321 10.3904 10.3904 10.3904 10.3904 10.5579 10.5579 10.5579 10.5579 11.1401 11.1401 11.1401 11.1401 11.2315 11.2315 11.2315 11.2315 15.9504 15.9504 15.9504 15.9504 16.1401 16.1401 16.1401 16.1401 16.4418 16.4418 16.4418 16.4418 k = 0.4767 0.3228 0.3040 ( 3864 PWs) bands (ev): 3.4011 3.4011 3.4011 3.4011 3.5017 3.5017 3.5017 3.5017 6.2956 6.2956 6.2956 6.2956 6.4082 6.4082 6.4082 6.4082 7.8968 7.8968 7.8968 7.8968 8.0859 8.0859 8.0859 8.0859 8.8121 8.8121 8.8121 8.8121 8.9260 8.9260 8.9260 8.9260 9.5727 9.5727 9.5727 9.5727 9.9306 9.9306 9.9306 9.9306 10.3891 10.3891 10.3891 10.3891 10.5664 10.5664 10.5664 10.5664 11.1427 11.1427 11.1427 11.1427 11.2504 11.2504 11.2504 11.2504 15.8436 15.8436 15.8436 15.8436 16.1914 16.1914 16.1914 16.1914 16.4523 16.4523 16.4523 16.4523 k = 0.4651 0.3228 0.3040 ( 3868 PWs) bands (ev): 3.3700 3.3700 3.3700 3.3700 3.5161 3.5161 3.5161 3.5161 6.2763 6.2763 6.2763 6.2763 6.4423 6.4423 6.4423 6.4423 7.8909 7.8909 7.8909 7.8909 8.0874 8.0874 8.0874 8.0874 8.7844 8.7844 8.7844 8.7844 8.9521 8.9521 8.9521 8.9521 9.5613 9.5613 9.5613 9.5613 9.9278 9.9278 9.9278 9.9278 10.3879 10.3879 10.3879 10.3879 10.5787 10.5787 10.5787 10.5787 11.1505 11.1505 11.1505 11.1505 11.2790 11.2790 11.2790 11.2790 15.7327 15.7327 15.7327 15.7327 16.1996 16.1996 16.1996 16.1996 16.4931 16.4931 16.4931 16.4931 k = 0.4535 0.3228 0.3040 ( 3868 PWs) bands (ev): 3.3362 3.3362 3.3362 3.3362 3.5267 3.5267 3.5267 3.5267 6.2611 6.2611 6.2611 6.2611 6.4781 6.4781 6.4781 6.4781 7.8829 7.8829 7.8829 7.8829 8.0892 8.0892 8.0892 8.0892 8.7571 8.7571 8.7571 8.7571 8.9769 8.9769 8.9769 8.9769 9.5470 9.5470 9.5470 9.5470 9.9236 9.9236 9.9236 9.9236 10.3873 10.3873 10.3873 10.3873 10.5930 10.5930 10.5930 10.5930 11.1654 11.1654 11.1654 11.1654 11.3156 11.3156 11.3156 11.3156 15.6200 15.6200 15.6200 15.6200 16.1775 16.1775 16.1775 16.1775 16.5476 16.5476 16.5476 16.5476 k = 0.4419 0.3228 0.3040 ( 3860 PWs) bands (ev): 3.3001 3.3001 3.3001 3.3001 3.5332 3.5332 3.5332 3.5332 6.2505 6.2505 6.2505 6.2505 6.5150 6.5150 6.5150 6.5150 7.8732 7.8732 7.8732 7.8732 8.0910 8.0910 8.0910 8.0910 8.7302 8.7302 8.7302 8.7302 9.0000 9.0000 9.0000 9.0000 9.5309 9.5309 9.5309 9.5309 9.9183 9.9183 9.9183 9.9183 10.3872 10.3872 10.3872 10.3872 10.6082 10.6082 10.6082 10.6082 11.1887 11.1887 11.1887 11.1887 11.3592 11.3592 11.3592 11.3592 15.5065 15.5065 15.5065 15.5065 16.1407 16.1407 16.1407 16.1407 16.5990 16.5990 16.5990 16.5990 k = 0.4302 0.3228 0.3040 ( 3856 PWs) bands (ev): 3.2621 3.2621 3.2621 3.2621 3.5354 3.5354 3.5354 3.5354 6.2446 6.2446 6.2446 6.2446 6.5526 6.5526 6.5526 6.5526 7.8620 7.8620 7.8620 7.8620 8.0927 8.0927 8.0927 8.0927 8.7040 8.7040 8.7040 8.7040 9.0210 9.0210 9.0210 9.0210 9.5139 9.5139 9.5139 9.5139 9.9123 9.9123 9.9123 9.9123 10.3870 10.3870 10.3870 10.3870 10.6234 10.6234 10.6234 10.6234 11.2207 11.2207 11.2207 11.2207 11.4095 11.4095 11.4095 11.4095 15.3931 15.3931 15.3931 15.3931 16.0965 16.0965 16.0965 16.0965 16.6442 16.6442 16.6442 16.6442 k = 0.4186 0.3228 0.3040 ( 3856 PWs) bands (ev): 3.2226 3.2226 3.2226 3.2226 3.5332 3.5332 3.5332 3.5332 6.2436 6.2436 6.2436 6.2436 6.5904 6.5904 6.5904 6.5904 7.8496 7.8496 7.8496 7.8496 8.0939 8.0939 8.0939 8.0939 8.6787 8.6787 8.6787 8.6787 9.0393 9.0393 9.0393 9.0393 9.4971 9.4971 9.4971 9.4971 9.9066 9.9066 9.9066 9.9066 10.3857 10.3857 10.3857 10.3857 10.6385 10.6385 10.6385 10.6385 11.2614 11.2614 11.2614 11.2614 11.4664 11.4664 11.4664 11.4664 15.2800 15.2800 15.2800 15.2800 16.0475 16.0475 16.0475 16.0475 16.6845 16.6845 16.6845 16.6845 k = 0.4070 0.3228 0.3040 ( 3852 PWs) bands (ev): 3.1817 3.1817 3.1817 3.1817 3.5267 3.5267 3.5267 3.5267 6.2477 6.2477 6.2477 6.2477 6.6280 6.6280 6.6280 6.6280 7.8363 7.8363 7.8363 7.8363 8.0945 8.0945 8.0945 8.0945 8.6542 8.6542 8.6542 8.6542 9.0548 9.0548 9.0548 9.0548 9.4810 9.4810 9.4810 9.4810 9.9019 9.9019 9.9019 9.9019 10.3825 10.3825 10.3825 10.3825 10.6532 10.6532 10.6532 10.6532 11.3102 11.3102 11.3102 11.3102 11.5297 11.5297 11.5297 11.5297 15.1677 15.1677 15.1677 15.1677 15.9950 15.9950 15.9950 15.9950 16.7209 16.7209 16.7209 16.7209 k = 0.3953 0.3228 0.3040 ( 3852 PWs) bands (ev): 3.1398 3.1398 3.1398 3.1398 3.5159 3.5159 3.5159 3.5159 6.2568 6.2568 6.2568 6.2568 6.6650 6.6650 6.6650 6.6650 7.8224 7.8224 7.8224 7.8224 8.0944 8.0944 8.0944 8.0944 8.6308 8.6308 8.6308 8.6308 9.0671 9.0671 9.0671 9.0671 9.4661 9.4661 9.4661 9.4661 9.8992 9.8992 9.8992 9.8992 10.3769 10.3769 10.3769 10.3769 10.6677 10.6677 10.6677 10.6677 11.3663 11.3663 11.3663 11.3663 11.5996 11.5996 11.5996 11.5996 15.0563 15.0563 15.0563 15.0563 15.9394 15.9394 15.9394 15.9394 16.7539 16.7539 16.7539 16.7539 k = 0.3837 0.3228 0.3040 ( 3860 PWs) bands (ev): 3.0972 3.0972 3.0972 3.0972 3.5011 3.5011 3.5011 3.5011 6.2710 6.2710 6.2710 6.2710 6.7009 6.7009 6.7009 6.7009 7.8081 7.8081 7.8081 7.8081 8.0935 8.0935 8.0935 8.0935 8.6083 8.6083 8.6083 8.6083 9.0761 9.0761 9.0761 9.0761 9.4529 9.4529 9.4529 9.4529 9.8990 9.8990 9.8990 9.8990 10.3687 10.3687 10.3687 10.3687 10.6819 10.6819 10.6819 10.6819 11.4286 11.4286 11.4286 11.4286 11.6760 11.6760 11.6760 11.6760 14.9461 14.9461 14.9461 14.9461 15.8811 15.8811 15.8811 15.8811 16.7836 16.7836 16.7836 16.7836 k = 0.3721 0.3228 0.3040 ( 3860 PWs) bands (ev): 3.0539 3.0539 3.0539 3.0539 3.4825 3.4825 3.4825 3.4825 6.2899 6.2899 6.2899 6.2899 6.7354 6.7354 6.7354 6.7354 7.7937 7.7937 7.7937 7.7937 8.0917 8.0917 8.0917 8.0917 8.5870 8.5870 8.5870 8.5870 9.0819 9.0819 9.0819 9.0819 9.4415 9.4415 9.4415 9.4415 9.9016 9.9016 9.9016 9.9016 10.3579 10.3579 10.3579 10.3579 10.6955 10.6955 10.6955 10.6955 11.4964 11.4964 11.4964 11.4964 11.7591 11.7591 11.7591 11.7591 14.8375 14.8375 14.8375 14.8375 15.8204 15.8204 15.8204 15.8204 16.8097 16.8097 16.8097 16.8097 k = 0.3605 0.3228 0.3040 ( 3852 PWs) bands (ev): 3.0104 3.0104 3.0104 3.0104 3.4603 3.4603 3.4603 3.4603 6.3136 6.3136 6.3136 6.3136 6.7681 6.7681 6.7681 6.7681 7.7795 7.7795 7.7795 7.7795 8.0891 8.0891 8.0891 8.0891 8.5668 8.5668 8.5668 8.5668 9.0848 9.0848 9.0848 9.0848 9.4320 9.4320 9.4320 9.4320 9.9073 9.9073 9.9073 9.9073 10.3449 10.3449 10.3449 10.3449 10.7085 10.7085 10.7085 10.7085 11.5687 11.5687 11.5687 11.5687 11.8487 11.8487 11.8487 11.8487 14.7306 14.7306 14.7306 14.7306 15.7573 15.7573 15.7573 15.7573 16.8321 16.8321 16.8321 16.8321 k = 0.3488 0.3228 0.3040 ( 3860 PWs) bands (ev): 2.9666 2.9666 2.9666 2.9666 3.4350 3.4350 3.4350 3.4350 6.3416 6.3416 6.3416 6.3416 6.7987 6.7987 6.7987 6.7987 7.7658 7.7658 7.7658 7.7658 8.0855 8.0855 8.0855 8.0855 8.5479 8.5479 8.5479 8.5479 9.0850 9.0850 9.0850 9.0850 9.4246 9.4246 9.4246 9.4246 9.9156 9.9156 9.9156 9.9156 10.3302 10.3302 10.3302 10.3302 10.7204 10.7204 10.7204 10.7204 11.6447 11.6447 11.6447 11.6447 11.9448 11.9448 11.9448 11.9448 14.6257 14.6257 14.6257 14.6257 15.6921 15.6921 15.6921 15.6921 16.8503 16.8503 16.8503 16.8503 k = 0.3372 0.3228 0.3040 ( 3860 PWs) bands (ev): 2.9229 2.9229 2.9229 2.9229 3.4068 3.4068 3.4068 3.4068 6.3737 6.3737 6.3737 6.3737 6.8268 6.8268 6.8268 6.8268 7.7528 7.7528 7.7528 7.7528 8.0810 8.0810 8.0810 8.0810 8.5302 8.5302 8.5302 8.5302 9.0829 9.0829 9.0829 9.0829 9.4192 9.4192 9.4192 9.4192 9.9263 9.9263 9.9263 9.9263 10.3141 10.3141 10.3141 10.3141 10.7313 10.7313 10.7313 10.7313 11.7235 11.7235 11.7235 11.7235 12.0472 12.0472 12.0472 12.0472 14.5233 14.5233 14.5233 14.5233 15.6251 15.6251 15.6251 15.6251 16.8640 16.8640 16.8640 16.8640 k = 0.3256 0.3228 0.3040 ( 3864 PWs) bands (ev): 2.8794 2.8794 2.8794 2.8794 3.3761 3.3761 3.3761 3.3761 6.4095 6.4095 6.4095 6.4095 6.8522 6.8522 6.8522 6.8522 7.7409 7.7409 7.7409 7.7409 8.0757 8.0757 8.0757 8.0757 8.5139 8.5139 8.5139 8.5139 9.0789 9.0789 9.0789 9.0789 9.4159 9.4159 9.4159 9.4159 9.9388 9.9388 9.9388 9.9388 10.2971 10.2971 10.2971 10.2971 10.7408 10.7408 10.7408 10.7408 11.8046 11.8046 11.8046 11.8046 12.1557 12.1557 12.1557 12.1557 14.4238 14.4238 14.4238 14.4238 15.5566 15.5566 15.5566 15.5566 16.8728 16.8728 16.8728 16.8728 k = 0.3140 0.3228 0.3040 ( 3864 PWs) bands (ev): 2.8362 2.8362 2.8362 2.8362 3.3434 3.3434 3.3434 3.3434 6.4486 6.4486 6.4486 6.4486 6.8747 6.8747 6.8747 6.8747 7.7304 7.7304 7.7304 7.7304 8.0698 8.0698 8.0698 8.0698 8.4989 8.4989 8.4989 8.4989 9.0735 9.0735 9.0735 9.0735 9.4146 9.4146 9.4146 9.4146 9.9522 9.9522 9.9522 9.9522 10.2800 10.2800 10.2800 10.2800 10.7490 10.7490 10.7490 10.7490 11.8871 11.8871 11.8871 11.8871 12.2701 12.2701 12.2701 12.2701 14.3278 14.3278 14.3278 14.3278 15.4869 15.4869 15.4869 15.4869 16.8766 16.8766 16.8766 16.8766 k = 0.3023 0.3228 0.3040 ( 3856 PWs) bands (ev): 2.7936 2.7936 2.7936 2.7936 3.3090 3.3090 3.3090 3.3090 6.4906 6.4906 6.4906 6.4906 6.8941 6.8941 6.8941 6.8941 7.7214 7.7214 7.7214 7.7214 8.0633 8.0633 8.0633 8.0633 8.4853 8.4853 8.4853 8.4853 9.0671 9.0671 9.0671 9.0671 9.4152 9.4152 9.4152 9.4152 9.9656 9.9656 9.9656 9.9656 10.2634 10.2634 10.2634 10.2634 10.7557 10.7557 10.7557 10.7557 11.9704 11.9704 11.9704 11.9704 12.3900 12.3900 12.3900 12.3900 14.2359 14.2359 14.2359 14.2359 15.4164 15.4164 15.4164 15.4164 16.8752 16.8752 16.8752 16.8752 k = 0.2907 0.3228 0.3040 ( 3852 PWs) bands (ev): 2.7516 2.7516 2.7516 2.7516 3.2732 3.2732 3.2732 3.2732 6.5349 6.5349 6.5349 6.5349 6.9104 6.9104 6.9104 6.9104 7.7141 7.7141 7.7141 7.7141 8.0565 8.0565 8.0565 8.0565 8.4731 8.4731 8.4731 8.4731 9.0602 9.0602 9.0602 9.0602 9.4176 9.4176 9.4176 9.4176 9.9779 9.9779 9.9779 9.9779 10.2482 10.2482 10.2482 10.2482 10.7610 10.7610 10.7610 10.7610 12.0535 12.0535 12.0535 12.0535 12.5151 12.5151 12.5151 12.5151 14.1491 14.1491 14.1491 14.1491 15.3454 15.3454 15.3454 15.3454 16.8694 16.8694 16.8694 16.8694 k = 0.2791 0.3228 0.3040 ( 3860 PWs) bands (ev): 2.7103 2.7103 2.7103 2.7103 3.2364 3.2364 3.2364 3.2364 6.5810 6.5810 6.5810 6.5810 6.9238 6.9238 6.9238 6.9238 7.7086 7.7086 7.7086 7.7086 8.0497 8.0497 8.0497 8.0497 8.4622 8.4622 8.4622 8.4622 9.0531 9.0531 9.0531 9.0531 9.4215 9.4215 9.4215 9.4215 9.9877 9.9877 9.9877 9.9877 10.2354 10.2354 10.2354 10.2354 10.7647 10.7647 10.7647 10.7647 12.1354 12.1354 12.1354 12.1354 12.6449 12.6449 12.6449 12.6449 14.0685 14.0685 14.0685 14.0685 15.2742 15.2742 15.2742 15.2742 16.8600 16.8600 16.8600 16.8600 k = 0.2674 0.3228 0.3040 ( 3860 PWs) bands (ev): 2.6699 2.6699 2.6699 2.6699 3.1990 3.1990 3.1990 3.1990 6.6282 6.6282 6.6282 6.6282 6.9348 6.9348 6.9348 6.9348 7.7049 7.7049 7.7049 7.7049 8.0431 8.0431 8.0431 8.0431 8.4525 8.4525 8.4525 8.4525 9.0462 9.0462 9.0462 9.0462 9.4267 9.4267 9.4267 9.4267 9.9936 9.9936 9.9936 9.9936 10.2264 10.2264 10.2264 10.2264 10.7671 10.7671 10.7671 10.7671 12.2146 12.2146 12.2146 12.2146 12.7792 12.7792 12.7792 12.7792 13.9955 13.9955 13.9955 13.9955 15.2032 15.2032 15.2032 15.2032 16.8482 16.8482 16.8482 16.8482 k = 0.2558 0.3228 0.3040 ( 3856 PWs) bands (ev): 2.6306 2.6306 2.6306 2.6306 3.1612 3.1612 3.1612 3.1612 6.6752 6.6752 6.6752 6.6752 6.9441 6.9441 6.9441 6.9441 7.7028 7.7028 7.7028 7.7028 8.0371 8.0371 8.0371 8.0371 8.4438 8.4438 8.4438 8.4438 9.0398 9.0398 9.0398 9.0398 9.4330 9.4330 9.4330 9.4330 9.9942 9.9942 9.9942 9.9942 10.2222 10.2222 10.2222 10.2222 10.7679 10.7679 10.7679 10.7679 12.2895 12.2895 12.2895 12.2895 12.9174 12.9174 12.9174 12.9174 13.9321 13.9321 13.9321 13.9321 15.1329 15.1329 15.1329 15.1329 16.8347 16.8347 16.8347 16.8347 k = 0.2442 0.3228 0.3040 ( 3848 PWs) bands (ev): 2.5923 2.5923 2.5923 2.5923 3.1234 3.1234 3.1234 3.1234 6.7205 6.7205 6.7205 6.7205 6.9532 6.9532 6.9532 6.9532 7.7022 7.7022 7.7022 7.7022 8.0321 8.0321 8.0321 8.0321 8.4362 8.4362 8.4362 8.4362 9.0341 9.0341 9.0341 9.0341 9.4401 9.4401 9.4401 9.4401 9.9890 9.9890 9.9890 9.9890 10.2233 10.2233 10.2233 10.2233 10.7674 10.7674 10.7674 10.7674 12.3579 12.3579 12.3579 12.3579 13.0591 13.0591 13.0591 13.0591 13.8806 13.8806 13.8806 13.8806 15.0634 15.0634 15.0634 15.0634 16.8200 16.8200 16.8200 16.8200 k = 0.2326 0.3228 0.3040 ( 3852 PWs) bands (ev): 2.5552 2.5552 2.5552 2.5552 3.0859 3.0859 3.0859 3.0859 6.7616 6.7616 6.7616 6.7616 6.9645 6.9645 6.9645 6.9645 7.7026 7.7026 7.7026 7.7026 8.0285 8.0285 8.0285 8.0285 8.4293 8.4293 8.4293 8.4293 9.0295 9.0295 9.0295 9.0295 9.4477 9.4477 9.4477 9.4477 9.9782 9.9782 9.9782 9.9782 10.2294 10.2294 10.2294 10.2294 10.7655 10.7655 10.7655 10.7655 12.4173 12.4173 12.4173 12.4173 13.2036 13.2036 13.2036 13.2036 13.8438 13.8438 13.8438 13.8438 14.9953 14.9953 14.9953 14.9953 16.8044 16.8044 16.8044 16.8044 k = 0.2209 0.3228 0.3040 ( 3848 PWs) bands (ev): 2.5194 2.5194 2.5194 2.5194 3.0488 3.0488 3.0488 3.0488 6.7949 6.7949 6.7949 6.7949 6.9816 6.9816 6.9816 6.9816 7.7039 7.7039 7.7039 7.7039 8.0266 8.0266 8.0266 8.0266 8.4232 8.4232 8.4232 8.4232 9.0260 9.0260 9.0260 9.0260 9.4554 9.4554 9.4554 9.4554 9.9627 9.9627 9.9627 9.9627 10.2394 10.2394 10.2394 10.2394 10.7624 10.7624 10.7624 10.7624 12.4652 12.4652 12.4652 12.4652 13.3498 13.3498 13.3498 13.3498 13.8248 13.8248 13.8248 13.8248 14.9289 14.9289 14.9289 14.9289 16.7880 16.7880 16.7880 16.7880 k = 0.2093 0.3228 0.3040 ( 3856 PWs) bands (ev): 2.4849 2.4849 2.4849 2.4849 3.0125 3.0125 3.0125 3.0125 6.8172 6.8172 6.8172 6.8172 7.0076 7.0076 7.0076 7.0076 7.7058 7.7058 7.7058 7.7058 8.0267 8.0267 8.0267 8.0267 8.4175 8.4175 8.4175 8.4175 9.0238 9.0238 9.0238 9.0238 9.4630 9.4630 9.4630 9.4630 9.9437 9.9437 9.9437 9.9437 10.2522 10.2522 10.2522 10.2522 10.7579 10.7579 10.7579 10.7579 12.4994 12.4994 12.4994 12.4994 13.4959 13.4959 13.4959 13.4959 13.8275 13.8275 13.8275 13.8275 14.8645 14.8645 14.8645 14.8645 16.7711 16.7711 16.7711 16.7711 k = 0.1977 0.3228 0.3040 ( 3852 PWs) bands (ev): 2.4519 2.4519 2.4519 2.4519 2.9771 2.9771 2.9771 2.9771 6.8281 6.8281 6.8281 6.8281 7.0427 7.0427 7.0427 7.0427 7.7082 7.7082 7.7082 7.7082 8.0291 8.0291 8.0291 8.0291 8.4122 8.4122 8.4122 8.4122 9.0230 9.0230 9.0230 9.0230 9.4703 9.4703 9.4703 9.4703 9.9221 9.9221 9.9221 9.9221 10.2668 10.2668 10.2668 10.2668 10.7523 10.7523 10.7523 10.7523 12.5187 12.5187 12.5187 12.5187 13.6374 13.6374 13.6374 13.6374 13.8569 13.8569 13.8569 13.8569 14.8026 14.8026 14.8026 14.8026 16.7534 16.7534 16.7534 16.7534 k = 0.1860 0.3228 0.3040 ( 3852 PWs) bands (ev): 2.4204 2.4204 2.4204 2.4204 2.9428 2.9428 2.9428 2.9428 6.8302 6.8302 6.8302 6.8302 7.0841 7.0841 7.0841 7.0841 7.7109 7.7109 7.7109 7.7109 8.0340 8.0340 8.0340 8.0340 8.4072 8.4072 8.4072 8.4072 9.0236 9.0236 9.0236 9.0236 9.4770 9.4770 9.4770 9.4770 9.8987 9.8987 9.8987 9.8987 10.2824 10.2824 10.2824 10.2824 10.7457 10.7457 10.7457 10.7457 12.5233 12.5233 12.5233 12.5233 13.7625 13.7625 13.7625 13.7625 13.9236 13.9236 13.9236 13.9236 14.7438 14.7438 14.7438 14.7438 16.7352 16.7352 16.7352 16.7352 k = 0.1744 0.3228 0.3040 ( 3860 PWs) bands (ev): 2.3905 2.3905 2.3905 2.3905 2.9098 2.9098 2.9098 2.9098 6.8267 6.8267 6.8267 6.8267 7.1285 7.1285 7.1285 7.1285 7.7142 7.7142 7.7142 7.7142 8.0412 8.0412 8.0412 8.0412 8.4024 8.4024 8.4024 8.4024 9.0256 9.0256 9.0256 9.0256 9.4827 9.4827 9.4827 9.4827 9.8740 9.8740 9.8740 9.8740 10.2986 10.2986 10.2986 10.2986 10.7380 10.7380 10.7380 10.7380 12.5150 12.5150 12.5150 12.5150 13.8605 13.8605 13.8605 13.8605 14.0355 14.0355 14.0355 14.0355 14.6891 14.6891 14.6891 14.6891 16.7163 16.7163 16.7163 16.7163 k = 0.1628 0.3228 0.3040 ( 3876 PWs) bands (ev): 2.3622 2.3622 2.3622 2.3622 2.8783 2.8783 2.8783 2.8783 6.8198 6.8198 6.8198 6.8198 7.1734 7.1734 7.1734 7.1734 7.7183 7.7183 7.7183 7.7183 8.0508 8.0508 8.0508 8.0508 8.3976 8.3976 8.3976 8.3976 9.0290 9.0290 9.0290 9.0290 9.4874 9.4874 9.4874 9.4874 9.8487 9.8487 9.8487 9.8487 10.3149 10.3149 10.3149 10.3149 10.7294 10.7294 10.7294 10.7294 12.4962 12.4962 12.4962 12.4962 13.9454 13.9454 13.9454 13.9454 14.1739 14.1739 14.1739 14.1739 14.6403 14.6403 14.6403 14.6403 16.6966 16.6966 16.6966 16.6966 k = 0.1512 0.3228 0.3040 ( 3880 PWs) bands (ev): 2.3357 2.3357 2.3357 2.3357 2.8484 2.8484 2.8484 2.8484 6.8108 6.8108 6.8108 6.8108 7.2169 7.2169 7.2169 7.2169 7.7236 7.7236 7.7236 7.7236 8.0625 8.0625 8.0625 8.0625 8.3928 8.3928 8.3928 8.3928 9.0337 9.0337 9.0337 9.0337 9.4907 9.4907 9.4907 9.4907 9.8229 9.8229 9.8229 9.8229 10.3312 10.3312 10.3312 10.3312 10.7200 10.7200 10.7200 10.7200 12.4699 12.4699 12.4699 12.4699 14.0303 14.0303 14.0303 14.0303 14.3168 14.3168 14.3168 14.3168 14.6028 14.6028 14.6028 14.6028 16.6763 16.6763 16.6763 16.6763 k = 0.1395 0.3228 0.3040 ( 3880 PWs) bands (ev): 2.3109 2.3109 2.3109 2.3109 2.8203 2.8203 2.8203 2.8203 6.8007 6.8007 6.8007 6.8007 7.2575 7.2575 7.2575 7.2575 7.7306 7.7306 7.7306 7.7306 8.0762 8.0762 8.0762 8.0762 8.3881 8.3881 8.3881 8.3881 9.0396 9.0396 9.0396 9.0396 9.4924 9.4924 9.4924 9.4924 9.7972 9.7972 9.7972 9.7972 10.3472 10.3472 10.3472 10.3472 10.7099 10.7099 10.7099 10.7099 12.4387 12.4387 12.4387 12.4387 14.1167 14.1167 14.1167 14.1167 14.4339 14.4339 14.4339 14.4339 14.6021 14.6021 14.6021 14.6021 16.6551 16.6551 16.6551 16.6551 k = 0.1279 0.3228 0.3040 ( 3880 PWs) bands (ev): 2.2879 2.2879 2.2879 2.2879 2.7940 2.7940 2.7940 2.7940 6.7901 6.7901 6.7901 6.7901 7.2943 7.2943 7.2943 7.2943 7.7396 7.7396 7.7396 7.7396 8.0917 8.0917 8.0917 8.0917 8.3833 8.3833 8.3833 8.3833 9.0466 9.0466 9.0466 9.0466 9.4926 9.4926 9.4926 9.4926 9.7718 9.7718 9.7718 9.7718 10.3628 10.3628 10.3628 10.3628 10.6994 10.6994 10.6994 10.6994 12.4047 12.4047 12.4047 12.4047 14.1989 14.1989 14.1989 14.1989 14.4700 14.4700 14.4700 14.4700 14.6960 14.6960 14.6960 14.6960 16.6330 16.6330 16.6330 16.6330 k = 0.1163 0.3228 0.3040 ( 3872 PWs) bands (ev): 2.2668 2.2668 2.2668 2.2668 2.7697 2.7697 2.7697 2.7697 6.7794 6.7794 6.7794 6.7794 7.3264 7.3264 7.3264 7.3264 7.7510 7.7510 7.7510 7.7510 8.1085 8.1085 8.1085 8.1085 8.3785 8.3785 8.3785 8.3785 9.0545 9.0545 9.0545 9.0545 9.4909 9.4909 9.4909 9.4909 9.7471 9.7471 9.7471 9.7471 10.3779 10.3779 10.3779 10.3779 10.6884 10.6884 10.6884 10.6884 12.3699 12.3699 12.3699 12.3699 14.2620 14.2620 14.2620 14.2620 14.4819 14.4819 14.4819 14.4819 14.8397 14.8397 14.8397 14.8397 16.6098 16.6098 16.6098 16.6098 k = 0.1047 0.3228 0.3040 ( 3880 PWs) bands (ev): 2.2475 2.2475 2.2475 2.2475 2.7474 2.7474 2.7474 2.7474 6.7691 6.7691 6.7691 6.7691 7.3535 7.3535 7.3535 7.3535 7.7645 7.7645 7.7645 7.7645 8.1264 8.1264 8.1264 8.1264 8.3737 8.3737 8.3737 8.3737 9.0630 9.0630 9.0630 9.0630 9.4875 9.4875 9.4875 9.4875 9.7235 9.7235 9.7235 9.7235 10.3924 10.3924 10.3924 10.3924 10.6772 10.6772 10.6772 10.6772 12.3357 12.3357 12.3357 12.3357 14.2867 14.2867 14.2867 14.2867 14.5266 14.5266 14.5266 14.5266 14.9924 14.9924 14.9924 14.9924 16.5854 16.5854 16.5854 16.5854 k = 0.0930 0.3228 0.3040 ( 3868 PWs) bands (ev): 2.2302 2.2302 2.2302 2.2302 2.7272 2.7272 2.7272 2.7272 6.7592 6.7592 6.7592 6.7592 7.3754 7.3754 7.3754 7.3754 7.7799 7.7799 7.7799 7.7799 8.1450 8.1450 8.1450 8.1450 8.3690 8.3690 8.3690 8.3690 9.0721 9.0721 9.0721 9.0721 9.4823 9.4823 9.4823 9.4823 9.7013 9.7013 9.7013 9.7013 10.4064 10.4064 10.4064 10.4064 10.6659 10.6659 10.6659 10.6659 12.3030 12.3030 12.3030 12.3030 14.2802 14.2802 14.2802 14.2802 14.6023 14.6023 14.6023 14.6023 15.1458 15.1458 15.1458 15.1458 16.5594 16.5594 16.5594 16.5594 k = 0.0814 0.3228 0.3040 ( 3876 PWs) bands (ev): 2.2149 2.2149 2.2149 2.2149 2.7093 2.7093 2.7093 2.7093 6.7502 6.7502 6.7502 6.7502 7.3926 7.3926 7.3926 7.3926 7.7963 7.7963 7.7963 7.7963 8.1639 8.1639 8.1639 8.1639 8.3643 8.3643 8.3643 8.3643 9.0813 9.0813 9.0813 9.0813 9.4755 9.4755 9.4755 9.4755 9.6810 9.6810 9.6810 9.6810 10.4196 10.4196 10.4196 10.4196 10.6548 10.6548 10.6548 10.6548 12.2728 12.2728 12.2728 12.2728 14.2619 14.2619 14.2619 14.2619 14.6895 14.6895 14.6895 14.6895 15.2971 15.2971 15.2971 15.2971 16.5315 16.5315 16.5315 16.5315 k = 0.0698 0.3228 0.3040 ( 3872 PWs) bands (ev): 2.2015 2.2015 2.2015 2.2015 2.6936 2.6936 2.6936 2.6936 6.7420 6.7420 6.7420 6.7420 7.4056 7.4056 7.4056 7.4056 7.8128 7.8128 7.8128 7.8128 8.1826 8.1826 8.1826 8.1826 8.3599 8.3599 8.3599 8.3599 9.0904 9.0904 9.0904 9.0904 9.4675 9.4675 9.4675 9.4675 9.6629 9.6629 9.6629 9.6629 10.4321 10.4321 10.4321 10.4321 10.6440 10.6440 10.6440 10.6440 12.2456 12.2456 12.2456 12.2456 14.2412 14.2412 14.2412 14.2412 14.7774 14.7774 14.7774 14.7774 15.4444 15.4444 15.4444 15.4444 16.5011 16.5011 16.5011 16.5011 k = 0.0581 0.3228 0.3040 ( 3876 PWs) bands (ev): 2.1901 2.1901 2.1901 2.1901 2.6803 2.6803 2.6803 2.6803 6.7349 6.7349 6.7349 6.7349 7.4152 7.4152 7.4152 7.4152 7.8286 7.8286 7.8286 7.8286 8.2004 8.2004 8.2004 8.2004 8.3556 8.3556 8.3556 8.3556 9.0991 9.0991 9.0991 9.0991 9.4587 9.4587 9.4587 9.4587 9.6472 9.6472 9.6472 9.6472 10.4435 10.4435 10.4435 10.4435 10.6337 10.6337 10.6337 10.6337 12.2220 12.2220 12.2220 12.2220 14.2215 14.2215 14.2215 14.2215 14.8602 14.8602 14.8602 14.8602 15.5861 15.5861 15.5861 15.5861 16.4675 16.4675 16.4675 16.4675 k = 0.0465 0.3228 0.3040 ( 3880 PWs) bands (ev): 2.1808 2.1808 2.1808 2.1808 2.6693 2.6693 2.6693 2.6693 6.7290 6.7290 6.7290 6.7290 7.4221 7.4221 7.4221 7.4221 7.8426 7.8426 7.8426 7.8426 8.2166 8.2166 8.2166 8.2166 8.3517 8.3517 8.3517 8.3517 9.1070 9.1070 9.1070 9.1070 9.4498 9.4498 9.4498 9.4498 9.6343 9.6343 9.6343 9.6343 10.4538 10.4538 10.4538 10.4538 10.6243 10.6243 10.6243 10.6243 12.2023 12.2023 12.2023 12.2023 14.2045 14.2045 14.2045 14.2045 14.9343 14.9343 14.9343 14.9343 15.7203 15.7203 15.7203 15.7203 16.4294 16.4294 16.4294 16.4294 k = 0.0349 0.3228 0.3040 ( 3872 PWs) bands (ev): 2.1736 2.1736 2.1736 2.1736 2.6607 2.6607 2.6607 2.6607 6.7243 6.7243 6.7243 6.7243 7.4268 7.4268 7.4268 7.4268 7.8541 7.8541 7.8541 7.8541 8.2305 8.2305 8.2305 8.2305 8.3483 8.3483 8.3483 8.3483 9.1137 9.1137 9.1137 9.1137 9.4417 9.4417 9.4417 9.4417 9.6242 9.6242 9.6242 9.6242 10.4625 10.4625 10.4625 10.4625 10.6162 10.6162 10.6162 10.6162 12.1867 12.1867 12.1867 12.1867 14.1908 14.1908 14.1908 14.1908 14.9962 14.9962 14.9962 14.9962 15.8451 15.8451 15.8451 15.8451 16.3856 16.3856 16.3856 16.3856 k = 0.0233 0.3228 0.3040 ( 3872 PWs) bands (ev): 2.1684 2.1684 2.1684 2.1684 2.6546 2.6546 2.6546 2.6546 6.7209 6.7209 6.7209 6.7209 7.4298 7.4298 7.4298 7.4298 7.8627 7.8627 7.8627 7.8627 8.2413 8.2413 8.2413 8.2413 8.3455 8.3455 8.3455 8.3455 9.1189 9.1189 9.1189 9.1189 9.4352 9.4352 9.4352 9.4352 9.6169 9.6169 9.6169 9.6169 10.4693 10.4693 10.4693 10.4693 10.6098 10.6098 10.6098 10.6098 12.1755 12.1755 12.1755 12.1755 14.1808 14.1808 14.1808 14.1808 15.0430 15.0430 15.0430 15.0430 15.9575 15.9575 15.9575 15.9575 16.3350 16.3350 16.3350 16.3350 k = 0.0116 0.3228 0.3040 ( 3884 PWs) bands (ev): 2.1653 2.1653 2.1653 2.1653 2.6509 2.6509 2.6509 2.6509 6.7188 6.7188 6.7188 6.7188 7.4315 7.4315 7.4315 7.4315 7.8680 7.8680 7.8680 7.8680 8.2482 8.2482 8.2482 8.2482 8.3437 8.3437 8.3437 8.3437 9.1221 9.1221 9.1221 9.1221 9.4309 9.4309 9.4309 9.4309 9.6125 9.6125 9.6125 9.6125 10.4737 10.4737 10.4737 10.4737 10.6057 10.6057 10.6057 10.6057 12.1687 12.1687 12.1687 12.1687 14.1747 14.1747 14.1747 14.1747 15.0722 15.0722 15.0722 15.0722 16.0507 16.0507 16.0507 16.0507 16.2808 16.2808 16.2808 16.2808 k = 0.0000 0.3228 0.3040 ( 3888 PWs) bands (ev): 2.1642 2.1642 2.1642 2.1642 2.6497 2.6497 2.6497 2.6497 6.7181 6.7181 6.7181 6.7181 7.4321 7.4321 7.4321 7.4321 7.8698 7.8698 7.8698 7.8698 8.2505 8.2505 8.2505 8.2505 8.3431 8.3431 8.3431 8.3431 9.1232 9.1232 9.1232 9.1232 9.4295 9.4295 9.4295 9.4295 9.6111 9.6111 9.6111 9.6111 10.4752 10.4752 10.4752 10.4752 10.6042 10.6042 10.6042 10.6042 12.1664 12.1664 12.1664 12.1664 14.1727 14.1727 14.1727 14.1727 15.0821 15.0821 15.0821 15.0821 16.0965 16.0965 16.0965 16.0965 16.2483 16.2483 16.2483 16.2483 k = 0.0000 0.3228 0.3040 ( 3888 PWs) bands (ev): 2.1642 2.1642 2.1642 2.1642 2.6497 2.6497 2.6497 2.6497 6.7181 6.7181 6.7181 6.7181 7.4321 7.4321 7.4321 7.4321 7.8698 7.8698 7.8698 7.8698 8.2505 8.2505 8.2505 8.2505 8.3431 8.3431 8.3431 8.3431 9.1232 9.1232 9.1232 9.1232 9.4295 9.4295 9.4295 9.4295 9.6111 9.6111 9.6111 9.6111 10.4752 10.4752 10.4752 10.4752 10.6042 10.6042 10.6042 10.6042 12.1664 12.1664 12.1664 12.1664 14.1727 14.1727 14.1727 14.1727 15.0821 15.0821 15.0821 15.0821 16.0965 16.0965 16.0965 16.0965 16.2483 16.2483 16.2483 16.2483 k = 0.0000 0.3113 0.3040 ( 3882 PWs) bands (ev): 2.1553 2.1553 2.1553 2.1553 2.6601 2.6601 2.6601 2.6601 6.7186 6.7186 6.7186 6.7186 7.4305 7.4305 7.4305 7.4305 7.8693 7.8693 7.8693 7.8693 8.2455 8.2455 8.2455 8.2455 8.3481 8.3481 8.3481 8.3481 9.1237 9.1237 9.1237 9.1237 9.4267 9.4267 9.4267 9.4267 9.6127 9.6127 9.6127 9.6127 10.4746 10.4746 10.4746 10.4746 10.6068 10.6068 10.6068 10.6068 12.1656 12.1656 12.1656 12.1656 14.1605 14.1605 14.1605 14.1605 15.0898 15.0898 15.0898 15.0898 16.0737 16.0737 16.0737 16.0737 16.2626 16.2626 16.2626 16.2626 k = 0.0000 0.2998 0.3040 ( 3878 PWs) bands (ev): 2.1307 2.1307 2.1307 2.1307 2.6893 2.6893 2.6893 2.6893 6.7198 6.7198 6.7198 6.7198 7.4257 7.4257 7.4257 7.4257 7.8678 7.8678 7.8678 7.8678 8.2327 8.2327 8.2327 8.2327 8.3607 8.3607 8.3607 8.3607 9.1250 9.1250 9.1250 9.1250 9.4188 9.4188 9.4188 9.4188 9.6174 9.6174 9.6174 9.6174 10.4731 10.4731 10.4731 10.4731 10.6142 10.6142 10.6142 10.6142 12.1632 12.1632 12.1632 12.1632 14.1260 14.1260 14.1260 14.1260 15.1105 15.1105 15.1105 15.1105 16.0194 16.0194 16.0194 16.0194 16.2964 16.2964 16.2964 16.2964 k = 0.0000 0.2882 0.3040 ( 3882 PWs) bands (ev): 2.0949 2.0949 2.0949 2.0949 2.7327 2.7327 2.7327 2.7327 6.7218 6.7218 6.7218 6.7218 7.4181 7.4181 7.4181 7.4181 7.8652 7.8652 7.8652 7.8652 8.2160 8.2160 8.2160 8.2160 8.3771 8.3771 8.3771 8.3771 9.1267 9.1267 9.1267 9.1267 9.4074 9.4074 9.4074 9.4074 9.6244 9.6244 9.6244 9.6244 10.4712 10.4712 10.4712 10.4712 10.6254 10.6254 10.6254 10.6254 12.1591 12.1591 12.1591 12.1591 14.0743 14.0743 14.0743 14.0743 15.1388 15.1388 15.1388 15.1388 15.9506 15.9506 15.9506 15.9506 16.3427 16.3427 16.3427 16.3427 k = 0.0000 0.2767 0.3040 ( 3882 PWs) bands (ev): 2.0521 2.0521 2.0521 2.0521 2.7861 2.7861 2.7861 2.7861 6.7243 6.7243 6.7243 6.7243 7.4081 7.4081 7.4081 7.4081 7.8614 7.8614 7.8614 7.8614 8.1976 8.1976 8.1976 8.1976 8.3949 8.3949 8.3949 8.3949 9.1283 9.1283 9.1283 9.1283 9.3942 9.3942 9.3942 9.3942 9.6328 9.6328 9.6328 9.6328 10.4694 10.4694 10.4694 10.4694 10.6393 10.6393 10.6393 10.6393 12.1530 12.1530 12.1530 12.1530 14.0113 14.0113 14.0113 14.0113 15.1686 15.1686 15.1686 15.1686 15.8764 15.8764 15.8764 15.8764 16.4012 16.4012 16.4012 16.4012 k = 0.0000 0.2652 0.3040 ( 3882 PWs) bands (ev): 2.0055 2.0055 2.0055 2.0055 2.8462 2.8462 2.8462 2.8462 6.7270 6.7270 6.7270 6.7270 7.3961 7.3961 7.3961 7.3961 7.8562 7.8562 7.8562 7.8562 8.1783 8.1783 8.1783 8.1783 8.4131 8.4131 8.4131 8.4131 9.1290 9.1290 9.1290 9.1290 9.3813 9.3813 9.3813 9.3813 9.6421 9.6421 9.6421 9.6421 10.4682 10.4682 10.4682 10.4682 10.6548 10.6548 10.6548 10.6548 12.1447 12.1447 12.1447 12.1447 13.9422 13.9422 13.9422 13.9422 15.1940 15.1940 15.1940 15.1940 15.8020 15.8020 15.8020 15.8020 16.4721 16.4721 16.4721 16.4721 k = 0.0000 0.2537 0.3040 ( 3880 PWs) bands (ev): 1.9571 1.9571 1.9571 1.9571 2.9110 2.9110 2.9110 2.9110 6.7295 6.7295 6.7295 6.7295 7.3829 7.3829 7.3829 7.3829 7.8497 7.8497 7.8497 7.8497 8.1587 8.1587 8.1587 8.1587 8.4308 8.4308 8.4308 8.4308 9.1279 9.1279 9.1279 9.1279 9.3705 9.3705 9.3705 9.3705 9.6520 9.6520 9.6520 9.6520 10.4678 10.4678 10.4678 10.4678 10.6711 10.6711 10.6711 10.6711 12.1339 12.1339 12.1339 12.1339 13.8715 13.8715 13.8715 13.8715 15.2103 15.2103 15.2103 15.2103 15.7319 15.7319 15.7319 15.7319 16.5549 16.5549 16.5549 16.5549 k = 0.0000 0.2421 0.3040 ( 3876 PWs) bands (ev): 1.9082 1.9082 1.9082 1.9082 2.9790 2.9790 2.9790 2.9790 6.7313 6.7313 6.7313 6.7313 7.3692 7.3692 7.3692 7.3692 7.8417 7.8417 7.8417 7.8417 8.1389 8.1389 8.1389 8.1389 8.4476 8.4476 8.4476 8.4476 9.1241 9.1241 9.1241 9.1241 9.3632 9.3632 9.3632 9.3632 9.6624 9.6624 9.6624 9.6624 10.4680 10.4680 10.4680 10.4680 10.6872 10.6872 10.6872 10.6872 12.1202 12.1202 12.1202 12.1202 13.8023 13.8023 13.8023 13.8023 15.2134 15.2134 15.2134 15.2134 15.6701 15.6701 15.6701 15.6701 16.6481 16.6481 16.6481 16.6481 k = 0.0000 0.2306 0.3040 ( 3872 PWs) bands (ev): 1.8597 1.8597 1.8597 1.8597 3.0494 3.0494 3.0494 3.0494 6.7319 6.7319 6.7319 6.7319 7.3559 7.3559 7.3559 7.3559 7.8324 7.8324 7.8324 7.8324 8.1189 8.1189 8.1189 8.1189 8.4632 8.4632 8.4632 8.4632 9.1175 9.1175 9.1175 9.1175 9.3602 9.3602 9.3602 9.3602 9.6734 9.6734 9.6734 9.6734 10.4689 10.4689 10.4689 10.4689 10.7026 10.7026 10.7026 10.7026 12.1033 12.1033 12.1033 12.1033 13.7371 13.7371 13.7371 13.7371 15.2004 15.2004 15.2004 15.2004 15.6202 15.6202 15.6202 15.6202 16.7494 16.7494 16.7494 16.7494 k = 0.0000 0.2191 0.3040 ( 3868 PWs) bands (ev): 1.8122 1.8122 1.8122 1.8122 3.1212 3.1212 3.1212 3.1212 6.7305 6.7305 6.7305 6.7305 7.3439 7.3439 7.3439 7.3439 7.8218 7.8218 7.8218 7.8218 8.0988 8.0988 8.0988 8.0988 8.4773 8.4773 8.4773 8.4773 9.1083 9.1083 9.1083 9.1083 9.3618 9.3618 9.3618 9.3618 9.6850 9.6850 9.6850 9.6850 10.4701 10.4701 10.4701 10.4701 10.7167 10.7167 10.7167 10.7167 12.0831 12.0831 12.0831 12.0831 13.6776 13.6776 13.6776 13.6776 15.1702 15.1702 15.1702 15.1702 15.5840 15.5840 15.5840 15.5840 16.8564 16.8564 16.8564 16.8564 k = 0.0000 0.2075 0.3040 ( 3868 PWs) bands (ev): 1.7660 1.7660 1.7660 1.7660 3.1942 3.1942 3.1942 3.1942 6.7264 6.7264 6.7264 6.7264 7.3340 7.3340 7.3340 7.3340 7.8102 7.8102 7.8102 7.8102 8.0784 8.0784 8.0784 8.0784 8.4898 8.4898 8.4898 8.4898 9.0973 9.0973 9.0973 9.0973 9.3671 9.3671 9.3671 9.3671 9.6973 9.6973 9.6973 9.6973 10.4714 10.4714 10.4714 10.4714 10.7293 10.7293 10.7293 10.7293 12.0595 12.0595 12.0595 12.0595 13.6252 13.6252 13.6252 13.6252 15.1251 15.1251 15.1251 15.1251 15.5604 15.5604 15.5604 15.5604 16.9663 16.9663 16.9663 16.9663 k = 0.0000 0.1960 0.3040 ( 3864 PWs) bands (ev): 1.7215 1.7215 1.7215 1.7215 3.2676 3.2676 3.2676 3.2676 6.7191 6.7191 6.7191 6.7191 7.3269 7.3269 7.3269 7.3269 7.7979 7.7979 7.7979 7.7979 8.0578 8.0578 8.0578 8.0578 8.5006 8.5006 8.5006 8.5006 9.0852 9.0852 9.0852 9.0852 9.3755 9.3755 9.3755 9.3755 9.7105 9.7105 9.7105 9.7105 10.4726 10.4726 10.4726 10.4726 10.7401 10.7401 10.7401 10.7401 12.0327 12.0327 12.0327 12.0327 13.5805 13.5805 13.5805 13.5805 15.0696 15.0696 15.0696 15.0696 15.5460 15.5460 15.5460 15.5460 17.0763 17.0763 17.0763 17.0763 k = 0.0000 0.1845 0.3040 ( 3860 PWs) bands (ev): 1.6788 1.6788 1.6788 1.6788 3.3412 3.3412 3.3412 3.3412 6.7079 6.7079 6.7079 6.7079 7.3235 7.3235 7.3235 7.3235 7.7851 7.7851 7.7851 7.7851 8.0369 8.0369 8.0369 8.0369 8.5098 8.5098 8.5098 8.5098 9.0728 9.0728 9.0728 9.0728 9.3859 9.3859 9.3859 9.3859 9.7246 9.7246 9.7246 9.7246 10.4734 10.4734 10.4734 10.4734 10.7490 10.7490 10.7490 10.7490 12.0029 12.0029 12.0029 12.0029 13.5437 13.5437 13.5437 13.5437 15.0080 15.0080 15.0080 15.0080 15.5374 15.5374 15.5374 15.5374 17.1836 17.1836 17.1836 17.1836 k = 0.0000 0.1729 0.3040 ( 3864 PWs) bands (ev): 1.6382 1.6382 1.6382 1.6382 3.4145 3.4145 3.4145 3.4145 6.6925 6.6925 6.6925 6.6925 7.3239 7.3239 7.3239 7.3239 7.7720 7.7720 7.7720 7.7720 8.0157 8.0157 8.0157 8.0157 8.5173 8.5173 8.5173 8.5173 9.0607 9.0607 9.0607 9.0607 9.3976 9.3976 9.3976 9.3976 9.7395 9.7395 9.7395 9.7395 10.4735 10.4735 10.4735 10.4735 10.7562 10.7562 10.7562 10.7562 11.9709 11.9709 11.9709 11.9709 13.5146 13.5146 13.5146 13.5146 14.9437 14.9437 14.9437 14.9437 15.5321 15.5321 15.5321 15.5321 17.2850 17.2850 17.2850 17.2850 k = 0.0000 0.1614 0.3040 ( 3854 PWs) bands (ev): 1.5998 1.5998 1.5998 1.5998 3.4871 3.4871 3.4871 3.4871 6.6730 6.6730 6.6730 6.6730 7.3283 7.3283 7.3283 7.3283 7.7591 7.7591 7.7591 7.7591 7.9945 7.9945 7.9945 7.9945 8.5234 8.5234 8.5234 8.5234 9.0489 9.0489 9.0489 9.0489 9.4098 9.4098 9.4098 9.4098 9.7553 9.7553 9.7553 9.7553 10.4726 10.4726 10.4726 10.4726 10.7618 10.7618 10.7618 10.7618 11.9372 11.9372 11.9372 11.9372 13.4928 13.4928 13.4928 13.4928 14.8791 14.8791 14.8791 14.8791 15.5286 15.5286 15.5286 15.5286 17.3775 17.3775 17.3775 17.3775 k = 0.0000 0.1499 0.3040 ( 3858 PWs) bands (ev): 1.5636 1.5636 1.5636 1.5636 3.5586 3.5586 3.5586 3.5586 6.6495 6.6495 6.6495 6.6495 7.3365 7.3365 7.3365 7.3365 7.7467 7.7467 7.7467 7.7467 7.9733 7.9733 7.9733 7.9733 8.5283 8.5283 8.5283 8.5283 9.0376 9.0376 9.0376 9.0376 9.4221 9.4221 9.4221 9.4221 9.7717 9.7717 9.7717 9.7717 10.4707 10.4707 10.4707 10.4707 10.7659 10.7659 10.7659 10.7659 11.9028 11.9028 11.9028 11.9028 13.4774 13.4774 13.4774 13.4774 14.8158 14.8158 14.8158 14.8158 15.5259 15.5259 15.5259 15.5259 17.4581 17.4581 17.4581 17.4581 k = 0.0000 0.1384 0.3040 ( 3852 PWs) bands (ev): 1.5299 1.5299 1.5299 1.5299 3.6285 3.6285 3.6285 3.6285 6.6226 6.6226 6.6226 6.6226 7.3480 7.3480 7.3480 7.3480 7.7350 7.7350 7.7350 7.7350 7.9524 7.9524 7.9524 7.9524 8.5322 8.5322 8.5322 8.5322 9.0264 9.0264 9.0264 9.0264 9.4340 9.4340 9.4340 9.4340 9.7888 9.7888 9.7888 9.7888 10.4677 10.4677 10.4677 10.4677 10.7689 10.7689 10.7689 10.7689 11.8685 11.8685 11.8685 11.8685 13.4676 13.4676 13.4676 13.4676 14.7549 14.7549 14.7549 14.7549 15.5237 15.5237 15.5237 15.5237 17.5243 17.5243 17.5243 17.5243 k = 0.0000 0.1268 0.3040 ( 3844 PWs) bands (ev): 1.4986 1.4986 1.4986 1.4986 3.6963 3.6963 3.6963 3.6963 6.5929 6.5929 6.5929 6.5929 7.3621 7.3621 7.3621 7.3621 7.7243 7.7243 7.7243 7.7243 7.9320 7.9320 7.9320 7.9320 8.5355 8.5355 8.5355 8.5355 9.0153 9.0153 9.0153 9.0153 9.4453 9.4453 9.4453 9.4453 9.8062 9.8062 9.8062 9.8062 10.4635 10.4635 10.4635 10.4635 10.7709 10.7709 10.7709 10.7709 11.8350 11.8350 11.8350 11.8350 13.4622 13.4622 13.4622 13.4622 14.6972 14.6972 14.6972 14.6972 15.5216 15.5216 15.5216 15.5216 17.5745 17.5745 17.5745 17.5745 k = 0.0000 0.1153 0.3040 ( 3848 PWs) bands (ev): 1.4698 1.4698 1.4698 1.4698 3.7616 3.7616 3.7616 3.7616 6.5613 6.5613 6.5613 6.5613 7.3779 7.3779 7.3779 7.3779 7.7151 7.7151 7.7151 7.7151 7.9123 7.9123 7.9123 7.9123 8.5382 8.5382 8.5382 8.5382 9.0040 9.0040 9.0040 9.0040 9.4556 9.4556 9.4556 9.4556 9.8237 9.8237 9.8237 9.8237 10.4583 10.4583 10.4583 10.4583 10.7722 10.7722 10.7722 10.7722 11.8032 11.8032 11.8032 11.8032 13.4604 13.4604 13.4604 13.4604 14.6433 14.6433 14.6433 14.6433 15.5196 15.5196 15.5196 15.5196 17.6090 17.6090 17.6090 17.6090 k = 0.0000 0.1038 0.3040 ( 3840 PWs) bands (ev): 1.4436 1.4436 1.4436 1.4436 3.8237 3.8237 3.8237 3.8237 6.5286 6.5286 6.5286 6.5286 7.3946 7.3946 7.3946 7.3946 7.7077 7.7077 7.7077 7.7077 7.8936 7.8936 7.8936 7.8936 8.5405 8.5405 8.5405 8.5405 8.9924 8.9924 8.9924 8.9924 9.4650 9.4650 9.4650 9.4650 9.8410 9.8410 9.8410 9.8410 10.4523 10.4523 10.4523 10.4523 10.7730 10.7730 10.7730 10.7730 11.7737 11.7737 11.7737 11.7737 13.4612 13.4612 13.4612 13.4612 14.5936 14.5936 14.5936 14.5936 15.5176 15.5176 15.5176 15.5176 17.6292 17.6292 17.6292 17.6292 k = 0.0000 0.0922 0.3040 ( 3842 PWs) bands (ev): 1.4201 1.4201 1.4201 1.4201 3.8820 3.8820 3.8820 3.8820 6.4957 6.4957 6.4957 6.4957 7.4112 7.4112 7.4112 7.4112 7.7023 7.7023 7.7023 7.7023 7.8759 7.8759 7.8759 7.8759 8.5427 8.5427 8.5427 8.5427 8.9805 8.9805 8.9805 8.9805 9.4732 9.4732 9.4732 9.4732 9.8578 9.8578 9.8578 9.8578 10.4457 10.4457 10.4457 10.4457 10.7734 10.7734 10.7734 10.7734 11.7467 11.7467 11.7467 11.7467 13.4637 13.4637 13.4637 13.4637 14.5487 14.5487 14.5487 14.5487 15.5156 15.5156 15.5156 15.5156 17.6381 17.6381 17.6381 17.6381 k = 0.0000 0.0807 0.3040 ( 3838 PWs) bands (ev): 1.3993 1.3993 1.3993 1.3993 3.9359 3.9359 3.9359 3.9359 6.4636 6.4636 6.4636 6.4636 7.4269 7.4269 7.4269 7.4269 7.6992 7.6992 7.6992 7.6992 7.8596 7.8596 7.8596 7.8596 8.5448 8.5448 8.5448 8.5448 8.9684 8.9684 8.9684 8.9684 9.4804 9.4804 9.4804 9.4804 9.8738 9.8738 9.8738 9.8738 10.4389 10.4389 10.4389 10.4389 10.7736 10.7736 10.7736 10.7736 11.7227 11.7227 11.7227 11.7227 13.4673 13.4673 13.4673 13.4673 14.5087 14.5087 14.5087 14.5087 15.5137 15.5137 15.5137 15.5137 17.6386 17.6386 17.6386 17.6386 k = 0.0000 0.0692 0.3040 ( 3842 PWs) bands (ev): 1.3811 1.3811 1.3811 1.3811 3.9847 3.9847 3.9847 3.9847 6.4333 6.4333 6.4333 6.4333 7.4410 7.4410 7.4410 7.4410 7.6985 7.6985 7.6985 7.6985 7.8446 7.8446 7.8446 7.8446 8.5469 8.5469 8.5469 8.5469 8.9563 8.9563 8.9563 8.9563 9.4864 9.4864 9.4864 9.4864 9.8886 9.8886 9.8886 9.8886 10.4321 10.4321 10.4321 10.4321 10.7736 10.7736 10.7736 10.7736 11.7019 11.7019 11.7019 11.7019 13.4714 13.4714 13.4714 13.4714 14.4738 14.4738 14.4738 14.4738 15.5118 15.5118 15.5118 15.5118 17.6338 17.6338 17.6338 17.6338 k = 0.0000 0.0576 0.3040 ( 3846 PWs) bands (ev): 1.3657 1.3657 1.3657 1.3657 4.0276 4.0276 4.0276 4.0276 6.4056 6.4056 6.4056 6.4056 7.4528 7.4528 7.4528 7.4528 7.7000 7.7000 7.7000 7.7000 7.8311 7.8311 7.8311 7.8311 8.5489 8.5489 8.5489 8.5489 8.9447 8.9447 8.9447 8.9447 9.4914 9.4914 9.4914 9.4914 9.9019 9.9019 9.9019 9.9019 10.4257 10.4257 10.4257 10.4257 10.7735 10.7735 10.7735 10.7735 11.6843 11.6843 11.6843 11.6843 13.4754 13.4754 13.4754 13.4754 14.4443 14.4443 14.4443 14.4443 15.5101 15.5101 15.5101 15.5101 17.6260 17.6260 17.6260 17.6260 k = 0.0000 0.0461 0.3040 ( 3836 PWs) bands (ev): 1.3531 1.3531 1.3531 1.3531 4.0639 4.0639 4.0639 4.0639 6.3815 6.3815 6.3815 6.3815 7.4622 7.4622 7.4622 7.4622 7.7035 7.7035 7.7035 7.7035 7.8193 7.8193 7.8193 7.8193 8.5508 8.5508 8.5508 8.5508 8.9341 8.9341 8.9341 8.9341 9.4953 9.4953 9.4953 9.4953 9.9134 9.9134 9.9134 9.9134 10.4201 10.4201 10.4201 10.4201 10.7733 10.7733 10.7733 10.7733 11.6699 11.6699 11.6699 11.6699 13.4790 13.4790 13.4790 13.4790 14.4201 14.4201 14.4201 14.4201 15.5087 15.5087 15.5087 15.5087 17.6172 17.6172 17.6172 17.6172 k = 0.0000 0.0346 0.3040 ( 3832 PWs) bands (ev): 1.3433 1.3433 1.3433 1.3433 4.0930 4.0930 4.0930 4.0930 6.3618 6.3618 6.3618 6.3618 7.4691 7.4691 7.4691 7.4691 7.7080 7.7080 7.7080 7.7080 7.8092 7.8092 7.8092 7.8092 8.5525 8.5525 8.5525 8.5525 8.9250 8.9250 8.9250 8.9250 9.4983 9.4983 9.4983 9.4983 9.9227 9.9227 9.9227 9.9227 10.4154 10.4154 10.4154 10.4154 10.7731 10.7731 10.7731 10.7731 11.6589 11.6589 11.6589 11.6589 13.4821 13.4821 13.4821 13.4821 14.4013 14.4013 14.4013 14.4013 15.5075 15.5075 15.5075 15.5075 17.6091 17.6091 17.6091 17.6091 k = 0.0000 0.0231 0.3040 ( 3822 PWs) bands (ev): 1.3362 1.3362 1.3362 1.3362 4.1143 4.1143 4.1143 4.1143 6.3472 6.3472 6.3472 6.3472 7.4737 7.4737 7.4737 7.4737 7.7126 7.7126 7.7126 7.7126 7.8013 7.8013 7.8013 7.8013 8.5538 8.5538 8.5538 8.5538 8.9180 8.9180 8.9180 8.9180 9.5004 9.5004 9.5004 9.5004 9.9295 9.9295 9.9295 9.9295 10.4119 10.4119 10.4119 10.4119 10.7729 10.7729 10.7729 10.7729 11.6510 11.6510 11.6510 11.6510 13.4843 13.4843 13.4843 13.4843 14.3879 14.3879 14.3879 14.3879 15.5066 15.5066 15.5066 15.5066 17.6025 17.6025 17.6025 17.6025 k = 0.0000 0.0115 0.3040 ( 3836 PWs) bands (ev): 1.3320 1.3320 1.3320 1.3320 4.1273 4.1273 4.1273 4.1273 6.3382 6.3382 6.3382 6.3382 7.4764 7.4764 7.4764 7.4764 7.7161 7.7161 7.7161 7.7161 7.7961 7.7961 7.7961 7.7961 8.5547 8.5547 8.5547 8.5547 8.9136 8.9136 8.9136 8.9136 9.5016 9.5016 9.5016 9.5016 9.9337 9.9337 9.9337 9.9337 10.4098 10.4098 10.4098 10.4098 10.7728 10.7728 10.7728 10.7728 11.6463 11.6463 11.6463 11.6463 13.4857 13.4857 13.4857 13.4857 14.3799 14.3799 14.3799 14.3799 15.5060 15.5060 15.5060 15.5060 17.5983 17.5983 17.5983 17.5983 k = 0.0000 0.0000 0.3040 ( 3840 PWs) bands (ev): 1.3306 1.3306 1.3306 1.3306 4.1316 4.1316 4.1316 4.1316 6.3351 6.3351 6.3351 6.3351 7.4772 7.4772 7.4772 7.4772 7.7175 7.7175 7.7175 7.7175 7.7943 7.7943 7.7943 7.7943 8.5550 8.5550 8.5550 8.5550 8.9121 8.9121 8.9121 8.9121 9.5020 9.5020 9.5020 9.5020 9.9351 9.9351 9.9351 9.9351 10.4090 10.4090 10.4090 10.4090 10.7728 10.7728 10.7728 10.7728 11.6448 11.6448 11.6448 11.6448 13.4862 13.4862 13.4862 13.4862 14.3772 14.3772 14.3772 14.3772 15.5058 15.5058 15.5058 15.5058 17.5968 17.5968 17.5968 17.5968 k = 0.0000 0.3228-0.0000 ( 3858 PWs) bands (ev): 1.5011 1.5011 1.5011 1.5011 3.6556 3.6556 3.6556 3.6556 6.4316 6.4316 6.4316 6.4316 7.6652 7.6652 7.6652 7.6652 7.8563 7.8563 7.8563 7.8563 8.0698 8.0698 8.0698 8.0698 8.6179 8.6179 8.6179 8.6179 9.0208 9.0208 9.0208 9.0208 9.6048 9.6048 9.6048 9.6048 9.8109 9.8109 9.8109 9.8109 10.1704 10.1704 10.1704 10.1704 10.8501 10.8501 10.8501 10.8501 11.1990 11.1990 11.1990 11.1990 13.3637 13.3637 13.3637 13.3637 14.8447 14.8447 14.8447 14.8447 15.8997 15.8997 15.8997 15.8997 17.5021 17.5021 17.5021 17.5021 k = 0.0000 0.3228 0.0117 ( 3866 PWs) bands (ev): 1.5025 1.5025 1.5025 1.5025 3.6529 3.6529 3.6529 3.6529 6.4324 6.4324 6.4324 6.4324 7.6653 7.6653 7.6653 7.6653 7.8563 7.8563 7.8563 7.8563 8.0691 8.0691 8.0691 8.0691 8.6168 8.6168 8.6168 8.6168 9.0218 9.0218 9.0218 9.0218 9.6038 9.6038 9.6038 9.6038 9.8099 9.8099 9.8099 9.8099 10.1742 10.1742 10.1742 10.1742 10.8489 10.8489 10.8489 10.8489 11.2000 11.2000 11.2000 11.2000 13.3663 13.3663 13.3663 13.3663 14.8479 14.8479 14.8479 14.8479 15.8960 15.8960 15.8960 15.8960 17.5013 17.5013 17.5013 17.5013 k = 0.0000 0.3228 0.0234 ( 3876 PWs) bands (ev): 1.5066 1.5066 1.5066 1.5066 3.6447 3.6447 3.6447 3.6447 6.4348 6.4348 6.4348 6.4348 7.6657 7.6657 7.6657 7.6657 7.8564 7.8564 7.8564 7.8564 8.0672 8.0672 8.0672 8.0672 8.6134 8.6134 8.6134 8.6134 9.0246 9.0246 9.0246 9.0246 9.6009 9.6009 9.6009 9.6009 9.8069 9.8069 9.8069 9.8069 10.1853 10.1853 10.1853 10.1853 10.8452 10.8452 10.8452 10.8452 11.2031 11.2031 11.2031 11.2031 13.3740 13.3740 13.3740 13.3740 14.8572 14.8572 14.8572 14.8572 15.8852 15.8852 15.8852 15.8852 17.4978 17.4978 17.4978 17.4978 k = 0.0000 0.3228 0.0351 ( 3876 PWs) bands (ev): 1.5134 1.5134 1.5134 1.5134 3.6311 3.6311 3.6311 3.6311 6.4388 6.4388 6.4388 6.4388 7.6664 7.6664 7.6664 7.6664 7.8564 7.8564 7.8564 7.8564 8.0641 8.0641 8.0641 8.0641 8.6079 8.6079 8.6079 8.6079 9.0290 9.0290 9.0290 9.0290 9.5963 9.5963 9.5963 9.5963 9.8021 9.8021 9.8021 9.8021 10.2030 10.2030 10.2030 10.2030 10.8390 10.8390 10.8390 10.8390 11.2086 11.2086 11.2086 11.2086 13.3867 13.3867 13.3867 13.3867 14.8727 14.8727 14.8727 14.8727 15.8674 15.8674 15.8674 15.8674 17.4897 17.4897 17.4897 17.4897 k = 0.0000 0.3228 0.0468 ( 3880 PWs) bands (ev): 1.5229 1.5229 1.5229 1.5229 3.6122 3.6122 3.6122 3.6122 6.4442 6.4442 6.4442 6.4442 7.6670 7.6670 7.6670 7.6670 7.8562 7.8562 7.8562 7.8562 8.0604 8.0604 8.0604 8.0604 8.6008 8.6008 8.6008 8.6008 9.0347 9.0347 9.0347 9.0347 9.5900 9.5900 9.5900 9.5900 9.7959 9.7959 9.7959 9.7959 10.2263 10.2263 10.2263 10.2263 10.8306 10.8306 10.8306 10.8306 11.2168 11.2168 11.2168 11.2168 13.4043 13.4043 13.4043 13.4043 14.8942 14.8942 14.8942 14.8942 15.8432 15.8432 15.8432 15.8432 17.4761 17.4761 17.4761 17.4761 k = 0.0000 0.3228 0.0585 ( 3880 PWs) bands (ev): 1.5351 1.5351 1.5351 1.5351 3.5884 3.5884 3.5884 3.5884 6.4512 6.4512 6.4512 6.4512 7.6675 7.6675 7.6675 7.6675 7.8555 7.8555 7.8555 7.8555 8.0565 8.0565 8.0565 8.0565 8.5924 8.5924 8.5924 8.5924 9.0414 9.0414 9.0414 9.0414 9.5824 9.5824 9.5824 9.5824 9.7884 9.7884 9.7884 9.7884 10.2542 10.2542 10.2542 10.2542 10.8199 10.8199 10.8199 10.8199 11.2283 11.2283 11.2283 11.2283 13.4267 13.4267 13.4267 13.4267 14.9214 14.9214 14.9214 14.9214 15.8132 15.8132 15.8132 15.8132 17.4572 17.4572 17.4572 17.4572 k = 0.0000 0.3228 0.0701 ( 3888 PWs) bands (ev): 1.5500 1.5500 1.5500 1.5500 3.5597 3.5597 3.5597 3.5597 6.4597 6.4597 6.4597 6.4597 7.6677 7.6677 7.6677 7.6677 7.8542 7.8542 7.8542 7.8542 8.0531 8.0531 8.0531 8.0531 8.5829 8.5829 8.5829 8.5829 9.0486 9.0486 9.0486 9.0486 9.5737 9.5737 9.5737 9.5737 9.7799 9.7799 9.7799 9.7799 10.2851 10.2851 10.2851 10.2851 10.8073 10.8073 10.8073 10.8073 11.2436 11.2436 11.2436 11.2436 13.4536 13.4536 13.4536 13.4536 14.9540 14.9540 14.9540 14.9540 15.7781 15.7781 15.7781 15.7781 17.4333 17.4333 17.4333 17.4333 k = 0.0000 0.3228 0.0818 ( 3878 PWs) bands (ev): 1.5675 1.5675 1.5675 1.5675 3.5265 3.5265 3.5265 3.5265 6.4695 6.4695 6.4695 6.4695 7.6670 7.6670 7.6670 7.6670 7.8520 7.8520 7.8520 7.8520 8.0508 8.0508 8.0508 8.0508 8.5727 8.5727 8.5727 8.5727 9.0561 9.0561 9.0561 9.0561 9.5642 9.5642 9.5642 9.5642 9.7706 9.7706 9.7706 9.7706 10.3178 10.3178 10.3178 10.3178 10.7929 10.7929 10.7929 10.7929 11.2637 11.2637 11.2637 11.2637 13.4848 13.4848 13.4848 13.4848 14.9918 14.9918 14.9918 14.9918 15.7386 15.7386 15.7386 15.7386 17.4045 17.4045 17.4045 17.4045 k = 0.0000 0.3228 0.0935 ( 3870 PWs) bands (ev): 1.5875 1.5875 1.5875 1.5875 3.4892 3.4892 3.4892 3.4892 6.4806 6.4806 6.4806 6.4806 7.6652 7.6652 7.6652 7.6652 7.8492 7.8492 7.8492 7.8492 8.0501 8.0501 8.0501 8.0501 8.5620 8.5620 8.5620 8.5620 9.0636 9.0636 9.0636 9.0636 9.5540 9.5540 9.5540 9.5540 9.7607 9.7607 9.7607 9.7607 10.3508 10.3508 10.3508 10.3508 10.7770 10.7770 10.7770 10.7770 11.2890 11.2890 11.2890 11.2890 13.5201 13.5201 13.5201 13.5201 15.0341 15.0341 15.0341 15.0341 15.6955 15.6955 15.6955 15.6955 17.3709 17.3709 17.3709 17.3709 k = 0.0000 0.3228 0.1052 ( 3868 PWs) bands (ev): 1.6101 1.6101 1.6101 1.6101 3.4480 3.4480 3.4480 3.4480 6.4930 6.4930 6.4930 6.4930 7.6617 7.6617 7.6617 7.6617 7.8458 7.8458 7.8458 7.8458 8.0514 8.0514 8.0514 8.0514 8.5510 8.5510 8.5510 8.5510 9.0710 9.0710 9.0710 9.0710 9.5434 9.5434 9.5434 9.5434 9.7502 9.7502 9.7502 9.7502 10.3828 10.3828 10.3828 10.3828 10.7600 10.7600 10.7600 10.7600 11.3203 11.3203 11.3203 11.3203 13.5590 13.5590 13.5590 13.5590 15.0805 15.0805 15.0805 15.0805 15.6499 15.6499 15.6499 15.6499 17.3324 17.3324 17.3324 17.3324 k = 0.0000 0.3228 0.1169 ( 3868 PWs) bands (ev): 1.6352 1.6352 1.6352 1.6352 3.4033 3.4033 3.4033 3.4033 6.5065 6.5065 6.5065 6.5065 7.6559 7.6559 7.6559 7.6559 7.8424 7.8424 7.8424 7.8424 8.0549 8.0549 8.0549 8.0549 8.5397 8.5397 8.5397 8.5397 9.0780 9.0780 9.0780 9.0780 9.5326 9.5326 9.5326 9.5326 9.7393 9.7393 9.7393 9.7393 10.4125 10.4125 10.4125 10.4125 10.7421 10.7421 10.7421 10.7421 11.3580 11.3580 11.3580 11.3580 13.6013 13.6013 13.6013 13.6013 15.1302 15.1302 15.1302 15.1302 15.6027 15.6027 15.6027 15.6027 17.2889 17.2889 17.2889 17.2889 k = 0.0000 0.3228 0.1286 ( 3864 PWs) bands (ev): 1.6627 1.6627 1.6627 1.6627 3.3555 3.3555 3.3555 3.3555 6.5210 6.5210 6.5210 6.5210 7.6476 7.6476 7.6476 7.6476 7.8395 7.8395 7.8395 7.8395 8.0606 8.0606 8.0606 8.0606 8.5281 8.5281 8.5281 8.5281 9.0845 9.0845 9.0845 9.0845 9.5217 9.5217 9.5217 9.5217 9.7281 9.7281 9.7281 9.7281 10.4391 10.4391 10.4391 10.4391 10.7239 10.7239 10.7239 10.7239 11.4023 11.4023 11.4023 11.4023 13.6465 13.6465 13.6465 13.6465 15.1820 15.1820 15.1820 15.1820 15.5555 15.5555 15.5555 15.5555 17.2400 17.2400 17.2400 17.2400 k = 0.0000 0.3228 0.1403 ( 3860 PWs) bands (ev): 1.6925 1.6925 1.6925 1.6925 3.3051 3.3051 3.3051 3.3051 6.5364 6.5364 6.5364 6.5364 7.6366 7.6366 7.6366 7.6366 7.8377 7.8377 7.8377 7.8377 8.0684 8.0684 8.0684 8.0684 8.5163 8.5163 8.5163 8.5163 9.0906 9.0906 9.0906 9.0906 9.5109 9.5109 9.5109 9.5109 9.7168 9.7168 9.7168 9.7168 10.4618 10.4618 10.4618 10.4618 10.7058 10.7058 10.7058 10.7058 11.4529 11.4529 11.4529 11.4529 13.6940 13.6940 13.6940 13.6940 15.2334 15.2334 15.2334 15.2334 15.5111 15.5111 15.5111 15.5111 17.1853 17.1853 17.1853 17.1853 k = 0.0000 0.3228 0.1520 ( 3856 PWs) bands (ev): 1.7245 1.7245 1.7245 1.7245 3.2524 3.2524 3.2524 3.2524 6.5525 6.5525 6.5525 6.5525 7.6228 7.6228 7.6228 7.6228 7.8372 7.8372 7.8372 7.8372 8.0780 8.0780 8.0780 8.0780 8.5042 8.5042 8.5042 8.5042 9.0961 9.0961 9.0961 9.0961 9.5004 9.5004 9.5004 9.5004 9.7055 9.7055 9.7055 9.7055 10.4801 10.4801 10.4801 10.4801 10.6882 10.6882 10.6882 10.6882 11.5094 11.5094 11.5094 11.5094 13.7435 13.7435 13.7435 13.7435 15.2778 15.2778 15.2778 15.2778 15.4765 15.4765 15.4765 15.4765 17.1245 17.1245 17.1245 17.1245 k = 0.0000 0.3228 0.1637 ( 3868 PWs) bands (ev): 1.7586 1.7586 1.7586 1.7586 3.1978 3.1978 3.1978 3.1978 6.5692 6.5692 6.5692 6.5692 7.6066 7.6066 7.6066 7.6066 7.8380 7.8380 7.8380 7.8380 8.0891 8.0891 8.0891 8.0891 8.4918 8.4918 8.4918 8.4918 9.1010 9.1010 9.1010 9.1010 9.4902 9.4902 9.4902 9.4902 9.6942 9.6942 9.6942 9.6942 10.4940 10.4940 10.4940 10.4940 10.6716 10.6716 10.6716 10.6716 11.5709 11.5709 11.5709 11.5709 13.7941 13.7941 13.7941 13.7941 15.2989 15.2989 15.2989 15.2989 15.4684 15.4684 15.4684 15.4684 17.0571 17.0571 17.0571 17.0571 k = 0.0000 0.3228 0.1754 ( 3874 PWs) bands (ev): 1.7946 1.7946 1.7946 1.7946 3.1419 3.1419 3.1419 3.1419 6.5864 6.5864 6.5864 6.5864 7.5886 7.5886 7.5886 7.5886 7.8399 7.8399 7.8399 7.8399 8.1017 8.1017 8.1017 8.1017 8.4791 8.4791 8.4791 8.4791 9.1054 9.1054 9.1054 9.1054 9.4807 9.4807 9.4807 9.4807 9.6831 9.6831 9.6831 9.6831 10.5035 10.5035 10.5035 10.5035 10.6566 10.6566 10.6566 10.6566 11.6362 11.6362 11.6362 11.6362 13.8453 13.8453 13.8453 13.8453 15.2849 15.2849 15.2849 15.2849 15.4991 15.4991 15.4991 15.4991 16.9830 16.9830 16.9830 16.9830 k = 0.0000 0.3228 0.1871 ( 3864 PWs) bands (ev): 1.8324 1.8324 1.8324 1.8324 3.0850 3.0850 3.0850 3.0850 6.6036 6.6036 6.6036 6.6036 7.5693 7.5693 7.5693 7.5693 7.8427 7.8427 7.8427 7.8427 8.1154 8.1154 8.1154 8.1154 8.4661 8.4661 8.4661 8.4661 9.1092 9.1092 9.1092 9.1092 9.4717 9.4717 9.4717 9.4717 9.6724 9.6724 9.6724 9.6724 10.5088 10.5088 10.5088 10.5088 10.6435 10.6435 10.6435 10.6435 11.7039 11.7039 11.7039 11.7039 13.8960 13.8960 13.8960 13.8960 15.2520 15.2520 15.2520 15.2520 15.5530 15.5530 15.5530 15.5530 16.9027 16.9027 16.9027 16.9027 k = 0.0000 0.3228 0.1987 ( 3868 PWs) bands (ev): 1.8717 1.8717 1.8717 1.8717 3.0276 3.0276 3.0276 3.0276 6.6208 6.6208 6.6208 6.6208 7.5493 7.5493 7.5493 7.5493 7.8462 7.8462 7.8462 7.8462 8.1300 8.1300 8.1300 8.1300 8.4526 8.4526 8.4526 8.4526 9.1124 9.1124 9.1124 9.1124 9.4636 9.4636 9.4636 9.4636 9.6621 9.6621 9.6621 9.6621 10.5102 10.5102 10.5102 10.5102 10.6328 10.6328 10.6328 10.6328 11.7726 11.7726 11.7726 11.7726 13.9453 13.9453 13.9453 13.9453 15.2146 15.2146 15.2146 15.2146 15.6160 15.6160 15.6160 15.6160 16.8172 16.8172 16.8172 16.8172 k = 0.0000 0.3228 0.2104 ( 3856 PWs) bands (ev): 1.9121 1.9121 1.9121 1.9121 2.9703 2.9703 2.9703 2.9703 6.6377 6.6377 6.6377 6.6377 7.5293 7.5293 7.5293 7.5293 7.8499 7.8499 7.8499 7.8499 8.1453 8.1453 8.1453 8.1453 8.4388 8.4388 8.4388 8.4388 9.1152 9.1152 9.1152 9.1152 9.4562 9.4562 9.4562 9.4562 9.6524 9.6524 9.6524 9.6524 10.5084 10.5084 10.5084 10.5084 10.6245 10.6245 10.6245 10.6245 11.8406 11.8406 11.8406 11.8406 13.9920 13.9920 13.9920 13.9920 15.1788 15.1788 15.1788 15.1788 15.6829 15.6829 15.6829 15.6829 16.7288 16.7288 16.7288 16.7288 k = 0.0000 0.3228 0.2221 ( 3852 PWs) bands (ev): 1.9534 1.9534 1.9534 1.9534 2.9138 2.9138 2.9138 2.9138 6.6539 6.6539 6.6539 6.6539 7.5099 7.5099 7.5099 7.5099 7.8538 7.8538 7.8538 7.8538 8.1612 8.1612 8.1612 8.1612 8.4246 8.4246 8.4246 8.4246 9.1174 9.1174 9.1174 9.1174 9.4498 9.4498 9.4498 9.4498 9.6435 9.6435 9.6435 9.6435 10.5042 10.5042 10.5042 10.5042 10.6183 10.6183 10.6183 10.6183 11.9063 11.9063 11.9063 11.9063 14.0350 14.0350 14.0350 14.0350 15.1473 15.1473 15.1473 15.1473 15.7511 15.7511 15.7511 15.7511 16.6398 16.6398 16.6398 16.6398 k = 0.0000 0.3228 0.2338 ( 3872 PWs) bands (ev): 1.9948 1.9948 1.9948 1.9948 2.8587 2.8587 2.8587 2.8587 6.6691 6.6691 6.6691 6.6691 7.4915 7.4915 7.4915 7.4915 7.8576 7.8576 7.8576 7.8576 8.1774 8.1774 8.1774 8.1774 8.4101 8.4101 8.4101 8.4101 9.1192 9.1192 9.1192 9.1192 9.4442 9.4442 9.4442 9.4442 9.6354 9.6354 9.6354 9.6354 10.4987 10.4987 10.4987 10.4987 10.6137 10.6137 10.6137 10.6137 11.9680 11.9680 11.9680 11.9680 14.0731 14.0731 14.0731 14.0731 15.1217 15.1217 15.1217 15.1217 15.8191 15.8191 15.8191 15.8191 16.5531 16.5531 16.5531 16.5531 k = 0.0000 0.3228 0.2455 ( 3874 PWs) bands (ev): 2.0355 2.0355 2.0355 2.0355 2.8062 2.8062 2.8062 2.8062 6.6829 6.6829 6.6829 6.6829 7.4748 7.4748 7.4748 7.4748 7.8610 7.8610 7.8610 7.8610 8.1936 8.1936 8.1936 8.1936 8.3956 8.3956 8.3956 8.3956 9.1206 9.1206 9.1206 9.1206 9.4396 9.4396 9.4396 9.4396 9.6283 9.6283 9.6283 9.6283 10.4927 10.4927 10.4927 10.4927 10.6104 10.6104 10.6104 10.6104 12.0241 12.0241 12.0241 12.0241 14.1052 14.1052 14.1052 14.1052 15.1029 15.1029 15.1029 15.1029 15.8855 15.8855 15.8855 15.8855 16.4717 16.4717 16.4717 16.4717 k = 0.0000 0.3228 0.2572 ( 3880 PWs) bands (ev): 2.0742 2.0742 2.0742 2.0742 2.7576 2.7576 2.7576 2.7576 6.6949 6.6949 6.6949 6.6949 7.4602 7.4602 7.4602 7.4602 7.8640 7.8640 7.8640 7.8640 8.2095 8.2095 8.2095 8.2095 8.3812 8.3812 8.3812 8.3812 9.1216 9.1216 9.1216 9.1216 9.4359 9.4359 9.4359 9.4359 9.6222 9.6222 9.6222 9.6222 10.4870 10.4870 10.4870 10.4870 10.6080 10.6080 10.6080 10.6080 12.0728 12.0728 12.0728 12.0728 14.1309 14.1309 14.1309 14.1309 15.0908 15.0908 15.0908 15.0908 15.9484 15.9484 15.9484 15.9484 16.3985 16.3985 16.3985 16.3985 k = 0.0000 0.3228 0.2689 ( 3884 PWs) bands (ev): 2.1093 2.1093 2.1093 2.1093 2.7148 2.7148 2.7148 2.7148 6.7047 6.7047 6.7047 6.7047 7.4483 7.4483 7.4483 7.4483 7.8665 7.8665 7.8665 7.8665 8.2244 8.2244 8.2244 8.2244 8.3675 8.3675 8.3675 8.3675 9.1223 9.1223 9.1223 9.1223 9.4330 9.4330 9.4330 9.4330 9.6174 9.6174 9.6174 9.6174 10.4821 10.4821 10.4821 10.4821 10.6063 10.6063 10.6063 10.6063 12.1126 12.1126 12.1126 12.1126 14.1500 14.1500 14.1500 14.1500 15.0845 15.0845 15.0845 15.0845 16.0052 16.0052 16.0052 16.0052 16.3367 16.3367 16.3367 16.3367 k = 0.0000 0.3228 0.2806 ( 3880 PWs) bands (ev): 2.1380 2.1380 2.1380 2.1380 2.6804 2.6804 2.6804 2.6804 6.7121 6.7121 6.7121 6.7121 7.4394 7.4394 7.4394 7.4394 7.8683 7.8683 7.8683 7.8683 8.2375 8.2375 8.2375 8.2375 8.3554 8.3554 8.3554 8.3554 9.1228 9.1228 9.1228 9.1228 9.4310 9.4310 9.4310 9.4310 9.6139 9.6139 9.6139 9.6139 10.4783 10.4783 10.4783 10.4783 10.6051 10.6051 10.6051 10.6051 12.1421 12.1421 12.1421 12.1421 14.1629 14.1629 14.1629 14.1629 15.0822 15.0822 15.0822 15.0822 16.0524 16.0524 16.0524 16.0524 16.2892 16.2892 16.2892 16.2892 k = 0.0000 0.3228 0.2923 ( 3884 PWs) bands (ev): 2.1573 2.1573 2.1573 2.1573 2.6577 2.6577 2.6577 2.6577 6.7166 6.7166 6.7166 6.7166 7.4339 7.4339 7.4339 7.4339 7.8694 7.8694 7.8694 7.8694 8.2469 8.2469 8.2469 8.2469 8.3465 8.3465 8.3465 8.3465 9.1231 9.1231 9.1231 9.1231 9.4299 9.4299 9.4299 9.4299 9.6118 9.6118 9.6118 9.6118 10.4760 10.4760 10.4760 10.4760 10.6045 10.6045 10.6045 10.6045 12.1603 12.1603 12.1603 12.1603 14.1703 14.1703 14.1703 14.1703 15.0820 15.0820 15.0820 15.0820 16.0848 16.0848 16.0848 16.0848 16.2589 16.2589 16.2589 16.2589 k = 0.0000 0.3228 0.3040 ( 3888 PWs) bands (ev): 2.1642 2.1642 2.1642 2.1642 2.6497 2.6497 2.6497 2.6497 6.7181 6.7181 6.7181 6.7181 7.4321 7.4321 7.4321 7.4321 7.8698 7.8698 7.8698 7.8698 8.2505 8.2505 8.2505 8.2505 8.3431 8.3431 8.3431 8.3431 9.1232 9.1232 9.1232 9.1232 9.4295 9.4295 9.4295 9.4295 9.6111 9.6111 9.6111 9.6111 10.4752 10.4752 10.4752 10.4752 10.6042 10.6042 10.6042 10.6042 12.1664 12.1664 12.1664 12.1664 14.1727 14.1727 14.1727 14.1727 15.0821 15.0821 15.0821 15.0821 16.0965 16.0965 16.0965 16.0965 16.2483 16.2483 16.2483 16.2483 k = 0.5000-0.0000 0.3040 ( 3884 PWs) bands (ev): 3.0207 3.0207 3.0207 3.0207 3.7434 3.7434 3.7434 3.7434 5.6339 5.6339 5.6339 5.6339 7.2812 7.2812 7.2812 7.2812 7.7679 7.7679 7.7679 7.7679 8.1585 8.1585 8.1585 8.1585 9.1135 9.1135 9.1135 9.1135 9.4045 9.4045 9.4045 9.4045 9.5592 9.5592 9.5592 9.5592 10.0713 10.0713 10.0713 10.0713 10.2593 10.2593 10.2593 10.2593 10.7926 10.7926 10.7926 10.7926 11.1414 11.1414 11.1414 11.1414 11.3045 11.3045 11.3045 11.3045 14.0123 14.0123 14.0123 14.0123 14.6529 14.6529 14.6529 14.6529 15.0289 15.0289 15.0289 15.0289 k = 0.5000-0.0000 0.2923 ( 3876 PWs) bands (ev): 3.0193 3.0193 3.0207 3.0207 3.7418 3.7418 3.7452 3.7452 5.6348 5.6348 5.6380 5.6380 7.2711 7.2711 7.2916 7.2916 7.7636 7.7636 7.7708 7.7708 8.1310 8.1310 8.1833 8.1833 9.0867 9.0867 9.1393 9.1393 9.3949 9.3949 9.4070 9.4070 9.5386 9.5386 9.5752 9.5752 10.0664 10.0664 10.0789 10.0789 10.2514 10.2514 10.2802 10.2802 10.7919 10.7919 10.7931 10.7931 11.1409 11.1409 11.1416 11.1416 11.3025 11.3025 11.3081 11.3081 13.9934 13.9934 14.0228 14.0228 14.6065 14.6065 14.6874 14.6874 14.9845 14.9845 15.0948 15.0948 k = 0.5000-0.0000 0.2806 ( 3870 PWs) bands (ev): 3.0168 3.0168 3.0196 3.0196 3.7405 3.7405 3.7471 3.7471 5.6407 5.6407 5.6469 5.6469 7.2611 7.2611 7.3023 7.3023 7.7576 7.7576 7.7723 7.7723 8.1014 8.1014 8.2048 8.2048 9.0604 9.0604 9.1616 9.1616 9.3819 9.3819 9.3960 9.3960 9.5213 9.5213 9.5844 9.5844 10.0621 10.0621 10.0903 10.0903 10.2590 10.2590 10.3106 10.3106 10.7911 10.7911 10.7933 10.7933 11.1399 11.1399 11.1413 11.1413 11.3020 11.3020 11.3137 11.3137 13.9648 13.9648 14.0257 14.0257 14.5613 14.5613 14.6909 14.6909 14.9800 14.9800 15.1703 15.1703 k = 0.5000-0.0000 0.2689 ( 3872 PWs) bands (ev): 3.0131 3.0131 3.0171 3.0171 3.7394 3.7394 3.7491 3.7491 5.6515 5.6515 5.6606 5.6606 7.2513 7.2513 7.3133 7.3133 7.7500 7.7500 7.7725 7.7725 8.0704 8.0704 8.2224 8.2224 9.0356 9.0356 9.1769 9.1769 9.3663 9.3663 9.3681 9.3681 9.5148 9.5148 9.5890 9.5890 10.0567 10.0567 10.1053 10.1053 10.2821 10.2821 10.3473 10.3473 10.7902 10.7902 10.7930 10.7930 11.1383 11.1383 11.1405 11.1405 11.3028 11.3028 11.3214 11.3214 13.9258 13.9258 14.0213 14.0213 14.5239 14.5239 14.6616 14.6616 15.0170 15.0170 15.2496 15.2496 k = 0.5000-0.0000 0.2572 ( 3868 PWs) bands (ev): 3.0083 3.0083 3.0135 3.0135 3.7386 3.7386 3.7512 3.7512 5.6671 5.6671 5.6790 5.6790 7.2416 7.2416 7.3245 7.3245 7.7405 7.7405 7.7715 7.7715 8.0386 8.0386 8.2359 8.2359 9.0126 9.0126 9.1802 9.1802 9.3224 9.3224 9.3567 9.3567 9.5182 9.5182 9.5930 9.5930 10.0505 10.0505 10.1231 10.1231 10.3173 10.3173 10.3876 10.3876 10.7896 10.7896 10.7923 10.7923 11.1361 11.1361 11.1393 11.1393 11.3051 11.3051 11.3318 11.3318 13.8769 13.8769 14.0092 14.0092 14.4973 14.4973 14.6184 14.6184 15.0772 15.0772 15.3299 15.3299 k = 0.5000-0.0000 0.2455 ( 3876 PWs) bands (ev): 3.0025 3.0025 3.0088 3.0088 3.7382 3.7382 3.7534 3.7534 5.6874 5.6874 5.7019 5.7019 7.2318 7.2318 7.3357 7.3357 7.7291 7.7291 7.7691 7.7691 8.0066 8.0066 8.2450 8.2450 8.9908 8.9908 9.1674 9.1674 9.2719 9.2719 9.3510 9.3510 9.5268 9.5268 9.5998 9.5998 10.0443 10.0443 10.1430 10.1430 10.3602 10.3602 10.4292 10.4292 10.7894 10.7894 10.7909 10.7909 11.1333 11.1333 11.1374 11.1374 11.3088 11.3088 11.3451 11.3451 13.8195 13.8195 13.9891 13.9891 14.4818 14.4818 14.5759 14.5759 15.1473 15.1473 15.4097 15.4097 k = 0.5000-0.0000 0.2338 ( 3868 PWs) bands (ev): 2.9959 2.9959 3.0030 3.0030 3.7382 3.7382 3.7556 3.7556 5.7123 5.7123 5.7291 5.7291 7.2219 7.2219 7.3467 7.3467 7.7157 7.7157 7.7654 7.7654 7.9752 7.9752 8.2499 8.2499 8.9685 8.9685 9.1389 9.1389 9.2214 9.2214 9.3509 9.3509 9.5378 9.5378 9.6115 9.6115 10.0390 10.0390 10.1645 10.1645 10.4068 10.4068 10.4704 10.4704 10.7889 10.7889 10.7898 10.7898 11.1297 11.1297 11.1348 11.1348 11.3144 11.3144 11.3615 11.3615 13.7562 13.7562 13.9605 13.9605 14.4766 14.4766 14.5412 14.5412 15.2211 15.2211 15.4880 15.4880 k = 0.5000-0.0000 0.2221 ( 3876 PWs) bands (ev): 2.9884 2.9884 2.9962 2.9962 3.7386 3.7386 3.7579 3.7579 5.7415 5.7415 5.7603 5.7603 7.2117 7.2117 7.3573 7.3573 7.7004 7.7004 7.7604 7.7604 7.9447 7.9447 8.2507 8.2507 8.9429 8.9429 9.0987 9.0987 9.1763 9.1763 9.3537 9.3537 9.5499 9.5499 9.6281 9.6281 10.0350 10.0350 10.1869 10.1869 10.4538 10.4538 10.5095 10.5095 10.7861 10.7861 10.7912 10.7912 11.1255 11.1255 11.1312 11.1312 11.3222 11.3222 11.3813 11.3813 13.6897 13.6897 13.9240 13.9240 14.4805 14.4805 14.5171 14.5171 15.2958 15.2958 15.5643 15.5643 k = 0.5000-0.0000 0.2104 ( 3868 PWs) bands (ev): 2.9803 2.9803 2.9887 2.9887 3.7394 3.7394 3.7602 3.7602 5.7750 5.7750 5.7954 5.7954 7.2011 7.2011 7.3669 7.3669 7.6832 7.6832 7.7539 7.7539 7.9158 7.9158 8.2481 8.2481 8.9102 8.9102 9.0511 9.0511 9.1418 9.1418 9.3574 9.3574 9.5625 9.5625 9.6485 9.6485 10.0328 10.0328 10.2100 10.2100 10.4985 10.4985 10.5453 10.5453 10.7826 10.7826 10.7942 10.7942 11.1205 11.1205 11.1263 11.1263 11.3327 11.3327 11.4045 11.4045 13.6224 13.6224 13.8810 13.8810 14.4922 14.4922 14.5045 14.5045 15.3700 15.3700 15.6384 15.6384 k = 0.5000-0.0000 0.1987 ( 3864 PWs) bands (ev): 2.9717 2.9717 2.9804 2.9804 3.7406 3.7406 3.7625 3.7625 5.8123 5.8123 5.8340 5.8340 7.1900 7.1900 7.3751 7.3751 7.6646 7.6646 7.7458 7.7458 7.8887 7.8887 8.2426 8.2426 8.8687 8.8687 8.9993 8.9993 9.1204 9.1204 9.3610 9.3610 9.5751 9.5751 9.6711 9.6711 10.0326 10.0326 10.2334 10.2334 10.5385 10.5385 10.5770 10.5770 10.7785 10.7785 10.7990 10.7990 11.1149 11.1149 11.1201 11.1201 11.3463 11.3463 11.4310 11.4310 13.5564 13.5564 13.8338 13.8338 14.5027 14.5027 14.5105 14.5105 15.4432 15.4432 15.7101 15.7101 k = 0.5000-0.0000 0.1871 ( 3872 PWs) bands (ev): 2.9627 2.9627 2.9716 2.9716 3.7422 3.7422 3.7648 3.7648 5.8534 5.8534 5.8759 5.8759 7.1783 7.1783 7.3812 7.3812 7.6448 7.6448 7.7359 7.7359 7.8639 7.8639 8.2348 8.2348 8.8197 8.8197 8.9457 8.9457 9.1113 9.1113 9.3645 9.3645 9.5875 9.5875 9.6941 9.6941 10.0345 10.0345 10.2567 10.2567 10.5721 10.5721 10.6037 10.6037 10.7739 10.7739 10.8062 10.8062 11.1087 11.1087 11.1125 11.1125 11.3635 11.3635 11.4603 11.4603 13.4936 13.4936 13.7844 13.7844 14.5105 14.5105 14.5349 14.5349 15.5150 15.5150 15.7795 15.7795 k = 0.5000-0.0000 0.1754 ( 3862 PWs) bands (ev): 2.9534 2.9534 2.9624 2.9624 3.7442 3.7442 3.7671 3.7671 5.8978 5.8978 5.9208 5.9208 7.1660 7.1660 7.3842 7.3842 7.6243 7.6243 7.7241 7.7241 7.8418 7.8418 8.2254 8.2254 8.7665 8.7665 8.8917 8.8917 9.1115 9.1115 9.3679 9.3679 9.5995 9.5995 9.7161 9.7161 10.0389 10.0389 10.2795 10.2795 10.5981 10.5981 10.6246 10.6246 10.7696 10.7696 10.8158 10.8158 11.1019 11.1019 11.1035 11.1035 11.3846 11.3846 11.4920 11.4920 13.4352 13.4352 13.7350 13.7350 14.5269 14.5269 14.5649 14.5649 15.5854 15.5854 15.8469 15.8469 k = 0.5000-0.0000 0.1637 ( 3858 PWs) bands (ev): 2.9441 2.9441 2.9530 2.9530 3.7466 3.7466 3.7694 3.7694 5.9454 5.9454 5.9683 5.9683 7.1531 7.1531 7.3836 7.3836 7.6030 7.6030 7.7101 7.7101 7.8232 7.8232 8.2149 8.2149 8.7121 8.7121 8.8387 8.8387 9.1183 9.1183 9.3714 9.3714 9.6111 9.6111 9.7358 9.7358 10.0458 10.0458 10.3015 10.3015 10.6165 10.6165 10.6386 10.6386 10.7665 10.7665 10.8271 10.8271 11.0933 11.0933 11.0947 11.0947 11.4096 11.4096 11.5252 11.5252 13.3823 13.3823 13.6870 13.6870 14.5509 14.5509 14.6000 14.6000 15.6545 15.6545 15.9125 15.9125 k = 0.5000-0.0000 0.1520 ( 3862 PWs) bands (ev): 2.9348 2.9348 2.9434 2.9434 3.7492 3.7492 3.7717 3.7717 5.9957 5.9957 6.0182 6.0182 7.1395 7.1395 7.3788 7.3788 7.5807 7.5807 7.6936 7.6936 7.8088 7.8088 8.2036 8.2036 8.6587 8.6587 8.7875 8.7875 9.1300 9.1300 9.3751 9.3751 9.6220 9.6220 9.7525 9.7525 10.0551 10.0551 10.3224 10.3224 10.6279 10.6279 10.6447 10.6447 10.7659 10.7659 10.8388 10.8388 11.0823 11.0823 11.0872 11.0872 11.4380 11.4380 11.5593 11.5593 13.3357 13.3357 13.6415 13.6415 14.5820 14.5820 14.6400 14.6400 15.7225 15.7225 15.9766 15.9766 k = 0.5000-0.0000 0.1403 ( 3874 PWs) bands (ev): 2.9256 2.9256 2.9339 2.9339 3.7520 3.7520 3.7739 3.7739 6.0486 6.0486 6.0700 6.0700 7.1252 7.1252 7.3696 7.3696 7.5567 7.5567 7.6745 7.6745 7.7995 7.7995 8.1916 8.1916 8.6081 8.6081 8.7389 8.7389 9.1450 9.1450 9.3791 9.3791 9.6323 9.6323 9.7656 9.7656 10.0668 10.0668 10.3418 10.3418 10.6336 10.6336 10.6425 10.6425 10.7685 10.7685 10.8496 10.8496 11.0711 11.0711 11.0797 11.0797 11.4695 11.4695 11.5935 11.5935 13.2960 13.2960 13.5990 13.5990 14.6196 14.6196 14.6848 14.6848 15.7897 15.7897 16.0396 16.0396 k = 0.5000-0.0000 0.1286 ( 3868 PWs) bands (ev): 2.9167 2.9167 2.9246 2.9246 3.7551 3.7551 3.7760 3.7760 6.1036 6.1036 6.1234 6.1234 7.1103 7.1103 7.3564 7.3564 7.5303 7.5303 7.6527 7.6527 7.7959 7.7959 8.1790 8.1790 8.5614 8.5614 8.6932 8.6932 9.1626 9.1626 9.3833 9.3833 9.6420 9.6420 9.7751 9.7751 10.0805 10.0805 10.3594 10.3594 10.6329 10.6329 10.6347 10.6347 10.7738 10.7738 10.8584 10.8584 11.0602 11.0602 11.0723 11.0723 11.5031 11.5031 11.6269 11.6269 13.2634 13.2634 13.5598 13.5598 14.6636 14.6636 14.7343 14.7343 15.8563 15.8563 16.1015 16.1015 k = 0.5000-0.0000 0.1169 ( 3864 PWs) bands (ev): 2.9082 2.9082 2.9156 2.9156 3.7583 3.7583 3.7780 3.7780 6.1603 6.1603 6.1781 6.1781 7.0949 7.0949 7.3396 7.3396 7.5013 7.5013 7.6281 7.6281 7.7979 7.7979 8.1656 8.1656 8.5198 8.5198 8.6509 8.6509 9.1821 9.1821 9.3877 9.3877 9.6509 9.6509 9.7810 9.7810 10.0958 10.0958 10.3749 10.3749 10.6178 10.6178 10.6323 10.6323 10.7808 10.7808 10.8645 10.8645 11.0504 11.0504 11.0651 11.0651 11.5380 11.5380 11.6588 11.6588 13.2380 13.2380 13.5240 13.5240 14.7137 14.7137 14.7881 14.7881 15.9223 15.9223 16.1622 16.1622 k = 0.5000-0.0000 0.1052 ( 3862 PWs) bands (ev): 2.9003 2.9003 2.9071 2.9071 3.7615 3.7615 3.7798 3.7798 6.2184 6.2184 6.2335 6.2335 7.0789 7.0789 7.3194 7.3194 7.4702 7.4702 7.6009 7.6009 7.8049 7.8049 8.1512 8.1512 8.4840 8.4840 8.6122 8.6122 9.2029 9.2029 9.3921 9.3921 9.6593 9.6593 9.7836 9.7836 10.1123 10.1123 10.3879 10.3879 10.5990 10.5990 10.6271 10.6271 10.7884 10.7884 10.8677 10.8677 11.0422 11.0422 11.0585 11.0585 11.5734 11.5734 11.6885 11.6885 13.2196 13.2196 13.4913 13.4913 14.7698 14.7698 14.8462 14.8462 15.9875 15.9875 16.2209 16.2209 k = 0.5000-0.0000 0.0935 ( 3866 PWs) bands (ev): 2.8929 2.8929 2.8991 2.8991 3.7647 3.7647 3.7814 3.7814 6.2774 6.2774 6.2892 6.2892 7.0625 7.0625 7.2957 7.2957 7.4386 7.4386 7.5714 7.5714 7.8161 7.8161 8.1355 8.1355 8.4546 8.4546 8.5770 8.5770 9.2248 9.2248 9.3962 9.3962 9.6670 9.6670 9.7833 9.7833 10.1297 10.1297 10.3980 10.3980 10.5783 10.5783 10.6196 10.6196 10.7959 10.7959 10.8682 10.8682 11.0357 11.0357 11.0524 11.0524 11.6082 11.6082 11.7156 11.7156 13.2078 13.2078 13.4614 13.4614 14.8316 14.8316 14.9082 14.9082 16.0506 16.0506 16.2742 16.2742 k = 0.5000-0.0000 0.0818 ( 3870 PWs) bands (ev): 2.8863 2.8863 2.8918 2.8918 3.7679 3.7679 3.7828 3.7828 6.3367 6.3367 6.3445 6.3445 7.0456 7.0456 7.2676 7.2676 7.4088 7.4088 7.5403 7.5403 7.8305 7.8305 8.1184 8.1184 8.4315 8.4315 8.5455 8.5455 9.2472 9.2472 9.3999 9.3999 9.6742 9.6742 9.7804 9.7804 10.1478 10.1478 10.4042 10.4042 10.5577 10.5577 10.6104 10.6104 10.8031 10.8031 10.8666 10.8666 11.0311 11.0311 11.0470 11.0470 11.6417 11.6417 11.7394 11.7394 13.2021 13.2021 13.4338 13.4338 14.8988 14.8988 14.9739 14.9739 16.1078 16.1078 16.3119 16.3119 k = 0.5000-0.0000 0.0701 ( 3874 PWs) bands (ev): 2.8804 2.8804 2.8852 2.8852 3.7709 3.7709 3.7840 3.7840 6.3954 6.3954 6.3989 6.3989 7.0286 7.0286 7.2342 7.2342 7.3832 7.3832 7.5082 7.5082 7.8475 7.8475 8.0999 8.0999 8.4146 8.4146 8.5173 8.5173 9.2697 9.2697 9.4028 9.4028 9.6810 9.6810 9.7753 9.7753 10.1665 10.1665 10.4052 10.4052 10.5395 10.5395 10.5999 10.5999 10.8097 10.8097 10.8636 10.8636 11.0281 11.0281 11.0424 11.0424 11.6732 11.6732 11.7597 11.7597 13.2020 13.2020 13.4082 13.4082 14.9710 14.9710 15.0425 15.0425 16.1473 16.1473 16.3069 16.3069 k = 0.5000-0.0000 0.0585 ( 3866 PWs) bands (ev): 2.8754 2.8754 2.8794 2.8794 3.7737 3.7737 3.7848 3.7848 6.4513 6.4513 6.4525 6.4525 7.0117 7.0117 7.1953 7.1953 7.3635 7.3635 7.4763 7.4763 7.8663 7.8663 8.0802 8.0802 8.4035 8.4035 8.4924 8.4924 9.2918 9.2918 9.4045 9.4045 9.6876 9.6876 9.7685 9.7685 10.1859 10.1859 10.3992 10.3992 10.5264 10.5264 10.5887 10.5887 10.8157 10.8157 10.8597 10.8597 11.0263 11.0263 11.0384 11.0384 11.7021 11.7021 11.7761 11.7761 13.2066 13.2066 13.3841 13.3841 15.0473 15.0473 15.1133 15.1133 16.1423 16.1423 16.2413 16.2413 k = 0.5000-0.0000 0.0468 ( 3872 PWs) bands (ev): 2.8713 2.8713 2.8745 2.8745 3.7764 3.7764 3.7853 3.7853 6.5006 6.5006 6.5063 6.5063 6.9959 6.9959 7.1523 7.1523 7.3502 7.3502 7.4457 7.4457 7.8863 7.8863 8.0596 8.0596 8.3974 8.3974 8.4706 8.4706 9.3132 9.3132 9.4045 9.4045 9.6941 9.6941 9.7603 9.7603 10.2060 10.2060 10.3858 10.3858 10.5198 10.5198 10.5771 10.5771 10.8211 10.8211 10.8555 10.8555 11.0254 11.0254 11.0351 11.0351 11.7279 11.7279 11.7883 11.7883 13.2154 13.2154 13.3611 13.3611 15.1263 15.1263 15.1847 15.1847 16.0855 16.0855 16.1448 16.1448 k = 0.5000-0.0000 0.0351 ( 3864 PWs) bands (ev): 2.8681 2.8681 2.8706 2.8706 3.7787 3.7787 3.7855 3.7855 6.5452 6.5452 6.5543 6.5543 6.9830 6.9830 7.1074 7.1074 7.3432 7.3432 7.4174 7.4174 7.9072 7.9072 8.0383 8.0383 8.3957 8.3957 8.4517 8.4517 9.3332 9.3332 9.4025 9.4025 9.7008 9.7008 9.7513 9.7513 10.2269 10.2269 10.3665 10.3665 10.5189 10.5189 10.5657 10.5657 10.8260 10.8260 10.8512 10.8512 11.0252 11.0252 11.0325 11.0325 11.7502 11.7502 11.7962 11.7962 13.2275 13.2275 13.3390 13.3390 15.2055 15.2055 15.2541 15.2541 16.0080 16.0080 16.0439 16.0439 k = 0.5000-0.0000 0.0234 ( 3860 PWs) bands (ev): 2.8660 2.8660 2.8676 2.8676 3.7807 3.7807 3.7853 3.7853 6.5826 6.5826 6.5926 6.5926 6.9760 6.9760 7.0637 7.0637 7.3420 7.3420 7.3926 7.3926 7.9287 7.9287 8.0166 8.0166 8.3977 8.3977 8.4355 8.4355 9.3514 9.3514 9.3980 9.3980 9.7079 9.7079 9.7419 9.7419 10.2488 10.2488 10.3439 10.3439 10.5221 10.5221 10.5547 10.5547 10.8305 10.8305 10.8469 10.8469 11.0255 11.0255 11.0303 11.0303 11.7686 11.7686 11.7996 11.7996 13.2423 13.2423 13.3177 13.3177 15.2799 15.2799 15.3159 15.3159 15.9332 15.9332 15.9529 15.9529 k = 0.5000-0.0000 0.0117 ( 3874 PWs) bands (ev): 2.8648 2.8648 2.8656 2.8656 3.7824 3.7824 3.7847 3.7847 6.6097 6.6097 6.6165 6.6165 6.9790 6.9790 7.0250 7.0250 7.3465 7.3465 7.3721 7.3721 7.9506 7.9506 7.9946 7.9946 8.4029 8.4029 8.4220 8.4220 9.3673 9.3673 9.3907 9.3907 9.7155 9.7155 9.7327 9.7327 10.2717 10.2717 10.3198 10.3198 10.5279 10.5279 10.5446 10.5446 10.8347 10.8347 10.8428 10.8428 11.0262 11.0262 11.0286 11.0286 11.7830 11.7830 11.7985 11.7985 13.2591 13.2591 13.2972 13.2972 15.3401 15.3401 15.3598 15.3598 15.8771 15.8771 15.8851 15.8851 k = 0.5000-0.0000-0.0000 ( 3874 PWs) bands (ev): 2.8647 2.8647 2.8647 2.8647 3.7837 3.7837 3.7837 3.7837 6.6221 6.6221 6.6221 6.6221 6.9955 6.9955 6.9955 6.9955 7.3566 7.3566 7.3566 7.3566 7.9726 7.9726 7.9726 7.9726 8.4111 8.4111 8.4111 8.4111 9.3804 9.3804 9.3804 9.3804 9.7238 9.7238 9.7238 9.7238 10.2955 10.2955 10.2955 10.2955 10.5356 10.5356 10.5356 10.5356 10.8388 10.8388 10.8388 10.8388 11.0272 11.0272 11.0272 11.0272 11.7930 11.7930 11.7930 11.7930 13.2776 13.2776 13.2776 13.2776 15.3704 15.3704 15.3704 15.3704 15.8572 15.8572 15.8572 15.8572 k = 0.5000 0.3228-0.0000 ( 3876 PWs) bands (ev): 3.3422 3.3422 3.3422 3.3422 3.4125 3.4125 3.4125 3.4125 6.7296 6.7296 6.7296 6.7296 6.7535 6.7535 6.7535 6.7535 7.9639 7.9639 7.9639 7.9639 7.9802 7.9802 7.9802 7.9802 8.6276 8.6276 8.6276 8.6276 8.6454 8.6454 8.6454 8.6454 9.4236 9.4236 9.4236 9.4236 9.5118 9.5118 9.5118 9.5118 10.4662 10.4662 10.4662 10.4662 10.5693 10.5693 10.5693 10.5693 11.5818 11.5818 11.5818 11.5818 11.6967 11.6967 11.6967 11.6967 14.0835 14.0835 14.0835 14.0835 14.1438 14.1438 14.1438 14.1438 17.5689 17.5689 17.5689 17.5690 k = 0.5000 0.3228 0.0117 ( 3872 PWs) bands (ev): 3.3417 3.3417 3.3433 3.3433 3.4119 3.4119 3.4135 3.4135 6.7260 6.7260 6.7299 6.7299 6.7504 6.7504 6.7533 6.7533 7.9497 7.9497 7.9746 7.9746 7.9779 7.9779 7.9854 7.9854 8.6208 8.6208 8.6379 8.6379 8.6433 8.6433 8.6503 8.6503 9.4152 9.4152 9.4329 9.4329 9.5045 9.5045 9.5206 9.5206 10.4609 10.4609 10.4717 10.4717 10.5658 10.5658 10.5726 10.5726 11.5776 11.5776 11.5820 11.5820 11.6892 11.6892 11.6999 11.6999 14.0823 14.0823 14.0937 14.0937 14.1458 14.1458 14.1511 14.1511 17.5669 17.5670 17.5712 17.5712 k = 0.5000 0.3228 0.0234 ( 3880 PWs) bands (ev): 3.3419 3.3419 3.3451 3.3451 3.4118 3.4118 3.4149 3.4149 6.7191 6.7191 6.7269 6.7269 6.7442 6.7442 6.7500 6.7500 7.9359 7.9359 7.9687 7.9687 7.9902 7.9902 7.9915 7.9915 8.6178 8.6178 8.6440 8.6440 8.6512 8.6512 8.6580 8.6580 9.4076 9.4076 9.4430 9.4430 9.4986 9.4986 9.5309 9.5309 10.4557 10.4557 10.4773 10.4773 10.5620 10.5620 10.5757 10.5757 11.5694 11.5694 11.5781 11.5781 11.6776 11.6776 11.6988 11.6988 14.0901 14.0901 14.1127 14.1127 14.1569 14.1569 14.1673 14.1673 17.5652 17.5652 17.5736 17.5736 k = 0.5000 0.3228 0.0351 ( 3880 PWs) bands (ev): 3.3427 3.3427 3.3476 3.3476 3.4121 3.4121 3.4168 3.4168 6.7092 6.7092 6.7205 6.7205 6.7350 6.7350 6.7434 6.7434 7.9228 7.9228 7.9627 7.9627 7.9945 7.9945 8.0043 8.0043 8.6187 8.6187 8.6472 8.6472 8.6670 8.6670 8.6684 8.6684 9.4008 9.4008 9.4540 9.4540 9.4941 9.4941 9.5426 9.5426 10.4508 10.4508 10.4830 10.4830 10.5579 10.5579 10.5784 10.5784 11.5576 11.5576 11.5703 11.5703 11.6622 11.6622 11.6935 11.6935 14.1069 14.1069 14.1402 14.1402 14.1771 14.1771 14.1925 14.1925 17.5636 17.5636 17.5749 17.5749 k = 0.5000 0.3228 0.0468 ( 3872 PWs) bands (ev): 3.3442 3.3442 3.3506 3.3506 3.4128 3.4128 3.4191 3.4191 6.6965 6.6965 6.7109 6.7109 6.7230 6.7230 6.7338 6.7338 7.9108 7.9108 7.9567 7.9567 7.9985 7.9985 8.0160 8.0160 8.6237 8.6237 8.6526 8.6526 8.6810 8.6810 8.6848 8.6848 9.3949 9.3949 9.4661 9.4661 9.4910 9.4910 9.5559 9.5559 10.4461 10.4461 10.4887 10.4887 10.5535 10.5535 10.5809 10.5809 11.5426 11.5426 11.5586 11.5586 11.6432 11.6432 11.6842 11.6842 14.1324 14.1324 14.1760 14.1760 14.2061 14.2061 14.2261 14.2261 17.5620 17.5620 17.5717 17.5717 k = 0.5000 0.3228 0.0585 ( 3868 PWs) bands (ev): 3.3463 3.3463 3.3543 3.3543 3.4140 3.4140 3.4218 3.4218 6.6813 6.6813 6.6984 6.6984 6.7084 6.7084 6.7214 6.7214 7.8999 7.8999 7.9510 7.9510 8.0021 8.0021 8.0264 8.0264 8.6324 8.6324 8.6601 8.6601 8.6957 8.6957 8.7039 8.7039 9.3900 9.3900 9.4793 9.4793 9.4893 9.4893 9.5707 9.5707 10.4415 10.4415 10.4945 10.4945 10.5488 10.5488 10.5830 10.5830 11.5247 11.5247 11.5434 11.5434 11.6212 11.6212 11.6711 11.6711 14.1663 14.1663 14.2195 14.2195 14.2437 14.2437 14.2680 14.2680 17.5604 17.5604 17.5674 17.5674 k = 0.5000 0.3228 0.0701 ( 3868 PWs) bands (ev): 3.3490 3.3490 3.3586 3.3586 3.4155 3.4155 3.4248 3.4248 6.6638 6.6638 6.6831 6.6831 6.6915 6.6915 6.7063 6.7063 7.8905 7.8905 7.9455 7.9455 8.0055 8.0055 8.0354 8.0354 8.6446 8.6446 8.6691 8.6691 8.7118 8.7118 8.7239 8.7239 9.3862 9.3862 9.4890 9.4890 9.4938 9.4938 9.5870 9.5870 10.4373 10.4373 10.5002 10.5002 10.5438 10.5438 10.5848 10.5848 11.5043 11.5043 11.5251 11.5251 11.5966 11.5966 11.6546 11.6546 14.2083 14.2083 14.2704 14.2704 14.2894 14.2894 14.3175 14.3175 17.5583 17.5584 17.5617 17.5617 k = 0.5000 0.3228 0.0818 ( 3868 PWs) bands (ev): 3.3522 3.3522 3.3634 3.3634 3.4173 3.4173 3.4282 3.4282 6.6444 6.6444 6.6654 6.6654 6.6726 6.6726 6.6889 6.6889 7.8825 7.8825 7.9405 7.9405 8.0088 8.0088 8.0432 8.0432 8.6597 8.6597 8.6793 8.6793 8.7290 8.7290 8.7442 8.7442 9.3835 9.3835 9.4902 9.4902 9.5096 9.5096 9.6048 9.6048 10.4332 10.4332 10.5059 10.5059 10.5384 10.5384 10.5863 10.5863 11.4822 11.4822 11.5041 11.5041 11.5698 11.5698 11.6352 11.6352 14.2580 14.2580 14.3282 14.3282 14.3428 14.3428 14.3744 14.3744 17.5539 17.5539 17.5557 17.5557 k = 0.5000 0.3228 0.0935 ( 3872 PWs) bands (ev): 3.3559 3.3559 3.3686 3.3686 3.4195 3.4195 3.4318 3.4318 6.6235 6.6235 6.6457 6.6457 6.6520 6.6520 6.6694 6.6694 7.8761 7.8761 7.9359 7.9359 8.0121 8.0121 8.0499 8.0499 8.6771 8.6771 8.6903 8.6903 8.7467 8.7467 8.7642 8.7642 9.3822 9.3822 9.4928 9.4928 9.5269 9.5269 9.6240 9.6240 10.4294 10.4294 10.5115 10.5115 10.5326 10.5326 10.5874 10.5874 11.4586 11.4586 11.4809 11.4809 11.5412 11.5412 11.6132 11.6132 14.3149 14.3149 14.3924 14.3924 14.4035 14.4035 14.4380 14.4380 17.5435 17.5435 17.5519 17.5519 k = 0.5000 0.3228 0.1052 ( 3876 PWs) bands (ev): 3.3602 3.3602 3.3743 3.3743 3.4219 3.4219 3.4357 3.4357 6.6014 6.6014 6.6243 6.6243 6.6300 6.6300 6.6483 6.6483 7.8711 7.8711 7.9319 7.9319 8.0154 8.0154 8.0556 8.0556 8.6962 8.6962 8.7019 8.7019 8.7644 8.7644 8.7835 8.7835 9.3825 9.3825 9.4968 9.4968 9.5457 9.5457 9.6446 9.6446 10.4258 10.4258 10.5168 10.5168 10.5265 10.5265 10.5881 10.5881 11.4342 11.4342 11.4558 11.4558 11.5114 11.5114 11.5893 11.5893 14.3785 14.3785 14.4626 14.4626 14.4710 14.4710 14.5080 14.5080 17.5296 17.5296 17.5465 17.5465 k = 0.5000 0.3228 0.1169 ( 3880 PWs) bands (ev): 3.3648 3.3648 3.3804 3.3804 3.4244 3.4244 3.4397 3.4397 6.5785 6.5785 6.6017 6.6017 6.6071 6.6071 6.6258 6.6258 7.8675 7.8675 7.9285 7.9285 8.0189 8.0189 8.0605 8.0605 8.7137 8.7137 8.7161 8.7161 8.7817 8.7817 8.8016 8.8016 9.3844 9.3844 9.5022 9.5022 9.5662 9.5662 9.6665 9.6665 10.4224 10.4224 10.5199 10.5199 10.5220 10.5220 10.5883 10.5883 11.4095 11.4095 11.4294 11.4294 11.4808 11.4808 11.5638 11.5638 14.4484 14.4484 14.5383 14.5383 14.5449 14.5449 14.5840 14.5840 17.5112 17.5112 17.5387 17.5388 k = 0.5000 0.3228 0.1286 ( 3876 PWs) bands (ev): 3.3698 3.3698 3.3869 3.3869 3.4272 3.4272 3.4438 3.4438 6.5551 6.5551 6.5783 6.5783 6.5835 6.5835 6.6024 6.6024 7.8651 7.8651 7.9257 7.9257 8.0227 8.0227 8.0647 8.0647 8.7256 8.7256 8.7362 8.7362 8.7981 8.7981 8.8182 8.8182 9.3882 9.3882 9.5089 9.5089 9.5883 9.5883 9.6893 9.6893 10.4191 10.4191 10.5129 10.5129 10.5268 10.5268 10.5880 10.5880 11.3848 11.3848 11.4022 11.4022 11.4497 11.4497 11.5371 11.5371 14.5241 14.5241 14.6192 14.6192 14.6246 14.6246 14.6654 14.6654 17.4872 17.4872 17.5287 17.5331 k = 0.5000 0.3228 0.1403 ( 3884 PWs) bands (ev): 3.3751 3.3751 3.3935 3.3935 3.4300 3.4300 3.4480 3.4480 6.5316 6.5316 6.5545 6.5545 6.5595 6.5595 6.5784 6.5784 7.8640 7.8640 7.9233 7.9233 8.0266 8.0266 8.0685 8.0685 8.7372 8.7372 8.7559 8.7559 8.8134 8.8134 8.8330 8.8330 9.3939 9.3939 9.5167 9.5167 9.6119 9.6119 9.7131 9.7131 10.4160 10.4160 10.5054 10.5054 10.5313 10.5313 10.5873 10.5873 11.3607 11.3607 11.3746 11.3746 11.4186 11.4186 11.5098 11.5098 14.6051 14.6051 14.7047 14.7047 14.7097 14.7097 14.7519 14.7519 17.4563 17.4563 17.5119 17.5119 k = 0.5000 0.3228 0.1520 ( 3876 PWs) bands (ev): 3.3807 3.3807 3.4004 3.4004 3.4328 3.4328 3.4521 3.4521 6.5084 6.5084 6.5307 6.5307 6.5355 6.5355 6.5542 6.5542 7.8639 7.8639 7.9214 7.9214 8.0308 8.0308 8.0718 8.0718 8.7486 8.7486 8.7746 8.7746 8.8272 8.8272 8.8458 8.8458 9.4016 9.4016 9.5255 9.5255 9.6369 9.6369 9.7374 9.7374 10.4131 10.4131 10.4975 10.4975 10.5355 10.5355 10.5861 10.5861 11.3376 11.3376 11.3470 11.3470 11.3878 11.3878 11.4822 11.4822 14.6911 14.6911 14.7947 14.7947 14.7997 14.7997 14.8431 14.8431 17.4170 17.4170 17.4837 17.4837 k = 0.5000 0.3228 0.1637 ( 3880 PWs) bands (ev): 3.3864 3.3864 3.4074 3.4074 3.4356 3.4356 3.4561 3.4561 6.4856 6.4856 6.5072 6.5072 6.5119 6.5119 6.5302 6.5302 7.8647 7.8647 7.9198 7.9198 8.0352 8.0352 8.0749 8.0749 8.7596 8.7596 8.7920 8.7920 8.8395 8.8395 8.8566 8.8566 9.4114 9.4114 9.5350 9.5350 9.6632 9.6632 9.7620 9.7620 10.4102 10.4102 10.4891 10.4891 10.5392 10.5392 10.5844 10.5844 11.3158 11.3158 11.3198 11.3198 11.3576 11.3576 11.4547 11.4547 14.7816 14.7816 14.8887 14.8887 14.8944 14.8944 14.9386 14.9386 17.3682 17.3682 17.4470 17.4471 k = 0.5000 0.3228 0.1754 ( 3880 PWs) bands (ev): 3.3923 3.3923 3.4144 3.4144 3.4382 3.4382 3.4600 3.4600 6.4637 6.4637 6.4844 6.4844 6.4888 6.4888 6.5066 6.5066 7.8663 7.8663 7.9185 7.9185 8.0398 8.0398 8.0777 8.0777 8.7701 8.7701 8.8076 8.8076 8.8500 8.8500 8.8654 8.8654 9.4231 9.4231 9.5450 9.5450 9.6904 9.6904 9.7867 9.7867 10.4074 10.4074 10.4802 10.4802 10.5425 10.5425 10.5822 10.5822 11.2934 11.2934 11.2956 11.2956 11.3283 11.3283 11.4276 11.4276 14.8764 14.8764 14.9864 14.9864 14.9932 14.9932 15.0381 15.0381 17.3091 17.3091 17.4005 17.4005 k = 0.5000 0.3228 0.1871 ( 3876 PWs) bands (ev): 3.3981 3.3981 3.4214 3.4214 3.4407 3.4407 3.4636 3.4636 6.4429 6.4429 6.4626 6.4626 6.4666 6.4666 6.4838 6.4838 7.8685 7.8685 7.9174 7.9174 8.0446 8.0446 8.0803 8.0803 8.7801 8.7801 8.8215 8.8215 8.8589 8.8589 8.8721 8.8721 9.4366 9.4366 9.5550 9.5550 9.7182 9.7182 9.8109 9.8109 10.4046 10.4046 10.4709 10.4709 10.5453 10.5453 10.5796 10.5796 11.2681 11.2681 11.2773 11.2773 11.3003 11.3003 11.4012 11.4012 14.9749 14.9749 15.0874 15.0874 15.0958 15.0958 15.1412 15.1412 17.2394 17.2394 17.3431 17.3431 k = 0.5000 0.3228 0.1987 ( 3884 PWs) bands (ev): 3.4040 3.4040 3.4282 3.4282 3.4429 3.4429 3.4669 3.4669 6.4234 6.4234 6.4422 6.4422 6.4455 6.4455 6.4621 6.4621 7.8712 7.8712 7.9165 7.9165 8.0494 8.0494 8.0825 8.0825 8.7898 8.7898 8.8334 8.8334 8.8662 8.8662 8.8769 8.8769 9.4515 9.4515 9.5648 9.5648 9.7463 9.7463 9.8344 9.8344 10.4019 10.4019 10.4613 10.4613 10.5476 10.5476 10.5768 10.5768 11.2444 11.2444 11.2611 11.2611 11.2737 11.2737 11.3759 11.3759 15.0769 15.0769 15.1914 15.1914 15.2018 15.2018 15.2475 15.2475 17.1593 17.1593 17.2743 17.2743 k = 0.5000 0.3228 0.2104 ( 3876 PWs) bands (ev): 3.4097 3.4097 3.4349 3.4349 3.4449 3.4449 3.4698 3.4698 6.4056 6.4056 6.4234 6.4234 6.4258 6.4258 6.4418 6.4418 7.8743 7.8743 7.9155 7.9155 8.0542 8.0542 8.0845 8.0845 8.7989 8.7989 8.8436 8.8436 8.8720 8.8720 8.8799 8.8799 9.4675 9.4675 9.5738 9.5738 9.7742 9.7742 9.8566 9.8566 10.3992 10.3992 10.4514 10.4514 10.5495 10.5495 10.5737 10.5737 11.2224 11.2224 11.2471 11.2471 11.2489 11.2489 11.3517 11.3517 15.1820 15.1820 15.2980 15.2980 15.3107 15.3107 15.3567 15.3567 17.0701 17.0701 17.1947 17.1947 k = 0.5000 0.3228 0.2221 ( 3884 PWs) bands (ev): 3.4152 3.4152 3.4413 3.4413 3.4464 3.4464 3.4722 3.4722 6.3895 6.3895 6.4064 6.4064 6.4077 6.4077 6.4230 6.4230 7.8777 7.8777 7.9145 7.9145 8.0590 8.0590 8.0861 8.0861 8.8077 8.8077 8.8521 8.8521 8.8763 8.8763 8.8812 8.8812 9.4842 9.4842 9.5818 9.5818 9.8015 9.8015 9.8772 9.8772 10.3966 10.3966 10.4415 10.4415 10.5509 10.5509 10.5705 10.5705 11.2026 11.2026 11.2261 11.2261 11.2356 11.2356 11.3291 11.3291 15.2898 15.2898 15.4068 15.4068 15.4219 15.4219 15.4681 15.4681 16.9732 16.9732 17.1055 17.1055 k = 0.5000 0.3228 0.2338 ( 3876 PWs) bands (ev): 3.4205 3.4205 3.4473 3.4473 3.4476 3.4476 3.4742 3.4742 6.3754 6.3754 6.3913 6.3913 6.3914 6.3914 6.4061 6.4061 7.8813 7.8813 7.9134 7.9134 8.0636 8.0636 8.0874 8.0874 8.8160 8.8160 8.8591 8.8591 8.8795 8.8795 8.8811 8.8811 9.5011 9.5011 9.5884 9.5884 9.8277 9.8277 9.8955 9.8955 10.3941 10.3941 10.4318 10.4318 10.5519 10.5519 10.5674 10.5674 11.1850 11.1850 11.2056 11.2056 11.2265 11.2265 11.3081 11.3081 15.3999 15.3999 15.5173 15.5173 15.5349 15.5349 15.5812 15.5812 16.8704 16.8704 17.0085 17.0085 k = 0.5000 0.3228 0.2455 ( 3868 PWs) bands (ev): 3.4255 3.4255 3.4483 3.4483 3.4529 3.4529 3.4755 3.4755 6.3635 6.3635 6.3770 6.3770 6.3787 6.3787 6.3913 6.3913 7.8850 7.8850 7.9121 7.9121 8.0680 8.0680 8.0882 8.0882 8.8240 8.8240 8.8648 8.8648 8.8797 8.8797 8.8816 8.8816 9.5178 9.5178 9.5931 9.5931 9.8523 9.8523 9.9111 9.9111 10.3918 10.3918 10.4224 10.4224 10.5526 10.5526 10.5644 10.5644 11.1701 11.1701 11.1874 11.1874 11.2199 11.2199 11.2889 11.2889 15.5118 15.5118 15.6286 15.6286 15.6486 15.6486 15.6950 15.6950 16.7639 16.7639 16.9061 16.9061 k = 0.5000 0.3228 0.2572 ( 3872 PWs) bands (ev): 3.4301 3.4301 3.4484 3.4484 3.4580 3.4580 3.4763 3.4763 6.3538 6.3538 6.3648 6.3648 6.3683 6.3683 6.3786 6.3786 7.8886 7.8886 7.9106 7.9106 8.0722 8.0722 8.0885 8.0885 8.8317 8.8317 8.8695 8.8695 8.8771 8.8771 8.8828 8.8828 9.5337 9.5337 9.5958 9.5958 9.8747 9.8747 9.9235 9.9235 10.3900 10.3900 10.4137 10.4137 10.5530 10.5530 10.5617 10.5617 11.1579 11.1579 11.1720 11.1720 11.2158 11.2158 11.2717 11.2717 15.6246 15.6246 15.7395 15.7395 15.7617 15.7617 15.8078 15.8078 16.6564 16.6564 16.8011 16.8011 k = 0.5000 0.3228 0.2689 ( 3860 PWs) bands (ev): 3.4342 3.4342 3.4481 3.4481 3.4626 3.4626 3.4764 3.4764 6.3464 6.3464 6.3548 6.3548 6.3605 6.3605 6.3683 6.3683 7.8922 7.8922 7.9088 7.9088 8.0759 8.0759 8.0883 8.0883 8.8390 8.8390 8.8733 8.8733 8.8736 8.8736 8.8831 8.8831 9.5485 9.5485 9.5962 9.5962 9.8945 9.8945 9.9322 9.9322 10.3887 10.3887 10.4060 10.4060 10.5534 10.5534 10.5594 10.5594 11.1487 11.1487 11.1593 11.1593 11.2143 11.2143 11.2566 11.2566 15.7373 15.7373 15.8478 15.8478 15.8714 15.8714 15.9158 15.9158 16.5526 16.5526 16.6974 16.6974 k = 0.5000 0.3228 0.2806 ( 3864 PWs) bands (ev): 3.4379 3.4379 3.4472 3.4472 3.4666 3.4666 3.4758 3.4758 6.3415 6.3415 6.3472 6.3472 6.3552 6.3552 6.3604 6.3604 7.8956 7.8956 7.9068 7.9068 8.0793 8.0793 8.0876 8.0876 8.8459 8.8459 8.8693 8.8693 8.8763 8.8763 8.8829 8.8829 9.5618 9.5618 9.5941 9.5941 9.9111 9.9111 9.9367 9.9367 10.3883 10.3883 10.3995 10.3995 10.5537 10.5537 10.5574 10.5574 11.1425 11.1425 11.1497 11.1497 11.2153 11.2153 11.2437 11.2437 15.8477 15.8477 15.9490 15.9490 15.9717 15.9717 16.0089 16.0089 16.4630 16.4630 16.6017 16.6017 k = 0.5000 0.3228 0.2923 ( 3876 PWs) bands (ev): 3.4410 3.4410 3.4457 3.4457 3.4699 3.4699 3.4745 3.4745 6.3392 6.3392 6.3420 6.3420 6.3525 6.3525 6.3552 6.3552 7.8988 7.8988 7.9044 7.9044 8.0821 8.0821 8.0863 8.0863 8.8525 8.8525 8.8642 8.8642 8.8788 8.8788 8.8820 8.8820 9.5733 9.5733 9.5896 9.5896 9.9239 9.9239 9.9369 9.9369 10.3890 10.3890 10.3945 10.3945 10.5542 10.5542 10.5560 10.5560 11.1395 11.1395 11.1431 11.1431 11.2188 11.2188 11.2331 11.2331 15.9508 15.9508 16.0323 16.0323 16.0483 16.0483 16.0595 16.0595 16.4158 16.4158 16.5289 16.5289 k = 0.5000 0.3228 0.3040 ( 3880 PWs) bands (ev): 3.4437 3.4437 3.4437 3.4437 3.4725 3.4725 3.4725 3.4725 6.3393 6.3393 6.3393 6.3393 6.3525 6.3525 6.3525 6.3525 7.9017 7.9017 7.9017 7.9017 8.0845 8.0845 8.0845 8.0845 8.8586 8.8586 8.8586 8.8586 8.8806 8.8806 8.8806 8.8806 9.5826 9.5826 9.5826 9.5826 9.9326 9.9326 9.9326 9.9326 10.3910 10.3910 10.3910 10.3910 10.5549 10.5549 10.5549 10.5549 11.1397 11.1397 11.1397 11.1397 11.2248 11.2248 11.2248 11.2248 16.0328 16.0328 16.0328 16.0328 16.0735 16.0735 16.0735 16.0735 16.4458 16.4458 16.4458 16.4458 Writing output data file GePt.save init_run : 3.56s CPU 3.72s WALL ( 1 calls) electrons : 346.70s CPU 351.67s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.03s CPU 0.04s WALL ( 1 calls) Called by electrons: c_bands : 346.69s CPU 351.66s 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 : 0.07s CPU 0.12s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.05s CPU 0.08s WALL ( 400 calls) cegterg : 321.44s CPU 325.60s WALL ( 649 calls) Called by sum_band: Called by *egterg: h_psi : 162.20s CPU 165.25s WALL ( 10413 calls) s_psi : 25.25s CPU 25.29s WALL ( 10413 calls) g_psi : 0.48s CPU 0.48s WALL ( 9364 calls) cdiaghg : 117.84s CPU 119.06s WALL ( 9764 calls) cegterg:over : 14.44s CPU 14.52s WALL ( 9364 calls) cegterg:upda : 10.92s CPU 11.16s WALL ( 9364 calls) cegterg:last : 6.22s CPU 6.19s WALL ( 1849 calls) cdiaghg:chol : 6.64s CPU 6.92s WALL ( 9764 calls) cdiaghg:inve : 4.84s CPU 5.12s WALL ( 9764 calls) cdiaghg:para : 8.48s CPU 8.50s WALL ( 19528 calls) Called by h_psi: h_psi:vloc : 131.38s CPU 134.09s WALL ( 10413 calls) h_psi:vnl : 30.38s CPU 30.65s WALL ( 10413 calls) add_vuspsi : 16.36s CPU 16.33s WALL ( 10413 calls) General routines calbec : 13.99s CPU 14.29s WALL ( 10413 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 118.96s CPU 121.60s WALL ( 1654344 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.23s CPU 0.37s WALL ( 800 calls) Parallel routines fft_scatter : 45.44s CPU 46.73s WALL ( 1654367 calls) PWSCF : 6m12.61s CPU 6m31.42s WALL This run was terminated on: 19: 0: 9 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=