Program PWSCF v.5.4.0 starts on 10Feb2017 at 15:42:35 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI & OpenMP), running on 72 processor cores Number of MPI processes: 36 Threads/MPI process: 2 R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./Fe3C.save/ file Fe.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per band group will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 50 28 8 1602 669 108 Max 51 29 9 1609 687 111 Sum 1813 1039 313 57767 24377 3931 bravais-lattice index = 14 lattice parameter (alat) = 9.0083 a.u. unit-cell volume = 578.2370 (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 = 46.0000 Ry charge density cutoff = 327.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 9.008324 celldm(2)= 1.000000 celldm(3)= 0.913363 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.500000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.500000 0.866025 0.000000 ) a(3) = ( 0.000000 0.000000 0.913363 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.577350 -0.000000 ) b(2) = ( 0.000000 1.154701 -0.000000 ) b(3) = ( 0.000000 0.000000 1.094855 ) PseudoPot. # 1 for Fe read from file: /users/gautes/Pseudo/Fe.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 1f786298b0c3f78d6037ec413201e537 Pseudo is Ultrasoft + core correction, Zval = 8.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1191 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for C read from file: /users/gautes/Pseudo/C.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: de79cff2a1a990998107dfc0a7a38bf3 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 1073 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 atomic species valence mass pseudopotential Fe 8.00 55.84500 Fe( 1.00) C 4.00 12.01070 C( 1.00) 12 Sym. Ops. (no 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 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) f =( 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.4566814 ) isym = 3 180 deg rotation - cart. axis [0,1,0] cryst. s( 3) = ( -1 0 0 ) f =( 0.0000000 ) ( 1 1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s( 3) = ( -1.0000000 0.0000000 -0.0000000 ) f =( 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.4566814 ) isym = 4 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( 1 0 0 ) ( -1 -1 0 ) ( 0 0 -1 ) cart. s( 4) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 5 60 deg rotation - cryst. axis [0,0,1] cryst. s( 5) = ( 1 1 0 ) f =( 0.0000000 ) ( -1 0 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s( 5) = ( 0.5000000 -0.8660254 0.0000000 ) f =( 0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.4566814 ) isym = 6 60 deg rotation - cryst. axis [0,0,-1] cryst. s( 6) = ( 0 -1 0 ) f =( 0.0000000 ) ( 1 1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s( 6) = ( 0.5000000 0.8660254 -0.0000000 ) f =( 0.0000000 ) ( -0.8660254 0.5000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.4566814 ) isym = 7 120 deg rotation - cryst. axis [0,0,1] cryst. s( 7) = ( 0 1 0 ) ( -1 -1 0 ) ( 0 0 1 ) cart. s( 7) = ( -0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 8 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 8) = ( -1 -1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s( 8) = ( -0.5000000 0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 9 180 deg rotation - cryst. axis [1,-1,0] cryst. s( 9) = ( 0 -1 0 ) f =( 0.0000000 ) ( -1 0 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s( 9) = ( 0.5000000 -0.8660254 -0.0000000 ) f =( 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.4566814 ) isym = 10 180 deg rotation - cryst. axis [2,1,0] cryst. s(10) = ( 1 1 0 ) f =( 0.0000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s(10) = ( 0.5000000 0.8660254 -0.0000000 ) f =( 0.0000000 ) ( 0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.4566814 ) isym = 11 180 deg rotation - cryst. axis [0,1,0] cryst. s(11) = ( -1 -1 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s(11) = ( -0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 12 180 deg rotation - cryst. axis [1,1,0] cryst. s(12) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s(12) = ( -0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group D_6 (622) there are 9 classes and 3 irreducible representations the character table: E -E 2C6 -2C6 2C3 -2C3 C2 3C2' 3C2'' -C2 -3C2' -3C2' G_7 2.00 -2.00 1.73 -1.73 1.00 -1.00 0.00 0.00 0.00 G_8 2.00 -2.00 -1.73 1.73 1.00 -1.00 0.00 0.00 0.00 G_9 2.00 -2.00 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 2C6 5 6 60 deg rotation - cryst. axis [0,0,1] -2C6 -5 -6 60 deg rotation - cryst. axis [0,0,1] E 2C3 7 8 120 deg rotation - cryst. axis [0,0,1] -2C3 -7 -8 120 deg rotation - cryst. axis [0,0,1] E C2 -C2 2 -2 180 deg rotation - cart. axis [0,0,1] 3C2'-3C2' 4 -4 12 -11 11 -12 180 deg rotation - cart. axis [1,0,0] 3C2''-3C2' 3 -3 9 10 -10 -9 180 deg rotation - cart. axis [0,1,0] Cartesian axes number of k points= 330 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030303 k( 2) = ( 0.0128205 0.0074019 -0.0000000), wk = 0.0030303 k( 3) = ( 0.0256410 0.0148039 -0.0000000), wk = 0.0030303 k( 4) = ( 0.0384615 0.0222058 -0.0000000), wk = 0.0030303 k( 5) = ( 0.0512821 0.0296077 -0.0000000), wk = 0.0030303 k( 6) = ( 0.0641026 0.0370096 -0.0000000), wk = 0.0030303 k( 7) = ( 0.0769231 0.0444116 -0.0000000), wk = 0.0030303 k( 8) = ( 0.0897436 0.0518135 -0.0000000), wk = 0.0030303 k( 9) = ( 0.1025641 0.0592154 -0.0000000), wk = 0.0030303 k( 10) = ( 0.1153846 0.0666173 -0.0000000), wk = 0.0030303 k( 11) = ( 0.1282051 0.0740193 -0.0000000), wk = 0.0030303 k( 12) = ( 0.1410256 0.0814212 -0.0000000), wk = 0.0030303 k( 13) = ( 0.1538461 0.0888231 -0.0000000), wk = 0.0030303 k( 14) = ( 0.1666667 0.0962250 -0.0000000), wk = 0.0030303 k( 15) = ( 0.1794872 0.1036270 -0.0000000), wk = 0.0030303 k( 16) = ( 0.1923077 0.1110289 -0.0000000), wk = 0.0030303 k( 17) = ( 0.2051282 0.1184308 -0.0000000), wk = 0.0030303 k( 18) = ( 0.2179487 0.1258328 -0.0000000), wk = 0.0030303 k( 19) = ( 0.2307692 0.1332347 -0.0000000), wk = 0.0030303 k( 20) = ( 0.2435897 0.1406366 -0.0000000), wk = 0.0030303 k( 21) = ( 0.2564103 0.1480385 -0.0000000), wk = 0.0030303 k( 22) = ( 0.2692308 0.1554405 -0.0000000), wk = 0.0030303 k( 23) = ( 0.2820513 0.1628424 -0.0000000), wk = 0.0030303 k( 24) = ( 0.2948718 0.1702443 -0.0000000), wk = 0.0030303 k( 25) = ( 0.3076923 0.1776462 -0.0000000), wk = 0.0030303 k( 26) = ( 0.3205128 0.1850482 -0.0000000), wk = 0.0030303 k( 27) = ( 0.3333333 0.1924501 -0.0000000), wk = 0.0030303 k( 28) = ( 0.3461538 0.1998520 -0.0000000), wk = 0.0030303 k( 29) = ( 0.3589744 0.2072539 -0.0000000), wk = 0.0030303 k( 30) = ( 0.3717949 0.2146559 -0.0000000), wk = 0.0030303 k( 31) = ( 0.3846154 0.2220578 -0.0000000), wk = 0.0030303 k( 32) = ( 0.3974359 0.2294597 -0.0000000), wk = 0.0030303 k( 33) = ( 0.4102564 0.2368616 -0.0000000), wk = 0.0030303 k( 34) = ( 0.4230769 0.2442636 -0.0000000), wk = 0.0030303 k( 35) = ( 0.4358974 0.2516655 -0.0000000), wk = 0.0030303 k( 36) = ( 0.4487179 0.2590674 -0.0000000), wk = 0.0030303 k( 37) = ( 0.4615385 0.2664694 -0.0000000), wk = 0.0030303 k( 38) = ( 0.4743590 0.2738713 -0.0000000), wk = 0.0030303 k( 39) = ( 0.4871795 0.2812732 -0.0000000), wk = 0.0030303 k( 40) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0030303 k( 41) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0030303 k( 42) = ( 0.4924242 0.3017967 -0.0000000), wk = 0.0030303 k( 43) = ( 0.4848485 0.3149183 -0.0000000), wk = 0.0030303 k( 44) = ( 0.4772727 0.3280399 -0.0000000), wk = 0.0030303 k( 45) = ( 0.4696970 0.3411615 -0.0000000), wk = 0.0030303 k( 46) = ( 0.4621212 0.3542831 -0.0000000), wk = 0.0030303 k( 47) = ( 0.4545455 0.3674047 -0.0000000), wk = 0.0030303 k( 48) = ( 0.4469697 0.3805263 -0.0000000), wk = 0.0030303 k( 49) = ( 0.4393939 0.3936479 -0.0000000), wk = 0.0030303 k( 50) = ( 0.4318182 0.4067695 -0.0000000), wk = 0.0030303 k( 51) = ( 0.4242424 0.4198911 -0.0000000), wk = 0.0030303 k( 52) = ( 0.4166667 0.4330127 -0.0000000), wk = 0.0030303 k( 53) = ( 0.4090909 0.4461343 -0.0000000), wk = 0.0030303 k( 54) = ( 0.4015151 0.4592559 -0.0000000), wk = 0.0030303 k( 55) = ( 0.3939394 0.4723775 -0.0000000), wk = 0.0030303 k( 56) = ( 0.3863636 0.4854991 -0.0000000), wk = 0.0030303 k( 57) = ( 0.3787879 0.4986207 -0.0000000), wk = 0.0030303 k( 58) = ( 0.3712121 0.5117423 -0.0000000), wk = 0.0030303 k( 59) = ( 0.3636364 0.5248639 -0.0000000), wk = 0.0030303 k( 60) = ( 0.3560606 0.5379855 -0.0000000), wk = 0.0030303 k( 61) = ( 0.3484849 0.5511071 -0.0000000), wk = 0.0030303 k( 62) = ( 0.3409091 0.5642287 -0.0000000), wk = 0.0030303 k( 63) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0030303 k( 64) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0030303 k( 65) = ( 0.3257576 0.5642287 -0.0000000), wk = 0.0030303 k( 66) = ( 0.3181818 0.5511071 -0.0000000), wk = 0.0030303 k( 67) = ( 0.3106061 0.5379855 -0.0000000), wk = 0.0030303 k( 68) = ( 0.3030303 0.5248639 -0.0000000), wk = 0.0030303 k( 69) = ( 0.2954545 0.5117423 -0.0000000), wk = 0.0030303 k( 70) = ( 0.2878788 0.4986207 -0.0000000), wk = 0.0030303 k( 71) = ( 0.2803030 0.4854991 -0.0000000), wk = 0.0030303 k( 72) = ( 0.2727273 0.4723775 -0.0000000), wk = 0.0030303 k( 73) = ( 0.2651515 0.4592559 -0.0000000), wk = 0.0030303 k( 74) = ( 0.2575758 0.4461343 -0.0000000), wk = 0.0030303 k( 75) = ( 0.2500000 0.4330127 -0.0000000), wk = 0.0030303 k( 76) = ( 0.2424242 0.4198911 -0.0000000), wk = 0.0030303 k( 77) = ( 0.2348485 0.4067695 -0.0000000), wk = 0.0030303 k( 78) = ( 0.2272727 0.3936479 -0.0000000), wk = 0.0030303 k( 79) = ( 0.2196970 0.3805263 -0.0000000), wk = 0.0030303 k( 80) = ( 0.2121212 0.3674047 -0.0000000), wk = 0.0030303 k( 81) = ( 0.2045454 0.3542831 -0.0000000), wk = 0.0030303 k( 82) = ( 0.1969697 0.3411615 -0.0000000), wk = 0.0030303 k( 83) = ( 0.1893939 0.3280399 -0.0000000), wk = 0.0030303 k( 84) = ( 0.1818182 0.3149183 -0.0000000), wk = 0.0030303 k( 85) = ( 0.1742424 0.3017967 -0.0000000), wk = 0.0030303 k( 86) = ( 0.1666667 0.2886751 -0.0000000), wk = 0.0030303 k( 87) = ( 0.1590909 0.2755535 -0.0000000), wk = 0.0030303 k( 88) = ( 0.1515151 0.2624319 -0.0000000), wk = 0.0030303 k( 89) = ( 0.1439394 0.2493103 -0.0000000), wk = 0.0030303 k( 90) = ( 0.1363636 0.2361888 -0.0000000), wk = 0.0030303 k( 91) = ( 0.1287879 0.2230672 -0.0000000), wk = 0.0030303 k( 92) = ( 0.1212121 0.2099456 -0.0000000), wk = 0.0030303 k( 93) = ( 0.1136364 0.1968239 -0.0000000), wk = 0.0030303 k( 94) = ( 0.1060606 0.1837024 -0.0000000), wk = 0.0030303 k( 95) = ( 0.0984848 0.1705808 -0.0000000), wk = 0.0030303 k( 96) = ( 0.0909091 0.1574592 -0.0000000), wk = 0.0030303 k( 97) = ( 0.0833333 0.1443376 -0.0000000), wk = 0.0030303 k( 98) = ( 0.0757576 0.1312160 -0.0000000), wk = 0.0030303 k( 99) = ( 0.0681818 0.1180944 -0.0000000), wk = 0.0030303 k( 100) = ( 0.0606061 0.1049728 -0.0000000), wk = 0.0030303 k( 101) = ( 0.0530303 0.0918512 -0.0000000), wk = 0.0030303 k( 102) = ( 0.0454546 0.0787296 -0.0000000), wk = 0.0030303 k( 103) = ( 0.0378788 0.0656080 -0.0000000), wk = 0.0030303 k( 104) = ( 0.0303030 0.0524864 -0.0000000), wk = 0.0030303 k( 105) = ( 0.0227273 0.0393648 -0.0000000), wk = 0.0030303 k( 106) = ( 0.0151515 0.0262432 -0.0000000), wk = 0.0030303 k( 107) = ( 0.0075758 0.0131216 -0.0000000), wk = 0.0030303 k( 108) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030303 k( 109) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030303 k( 110) = ( 0.0000000 0.0000000 0.0147953), wk = 0.0030303 k( 111) = ( 0.0000000 0.0000000 0.0295907), wk = 0.0030303 k( 112) = ( 0.0000000 0.0000000 0.0443860), wk = 0.0030303 k( 113) = ( 0.0000000 0.0000000 0.0591814), wk = 0.0030303 k( 114) = ( 0.0000000 0.0000000 0.0739767), wk = 0.0030303 k( 115) = ( 0.0000000 0.0000000 0.0887721), wk = 0.0030303 k( 116) = ( 0.0000000 0.0000000 0.1035674), wk = 0.0030303 k( 117) = ( 0.0000000 0.0000000 0.1183627), wk = 0.0030303 k( 118) = ( 0.0000000 0.0000000 0.1331581), wk = 0.0030303 k( 119) = ( 0.0000000 0.0000000 0.1479534), wk = 0.0030303 k( 120) = ( 0.0000000 0.0000000 0.1627488), wk = 0.0030303 k( 121) = ( 0.0000000 0.0000000 0.1775441), wk = 0.0030303 k( 122) = ( 0.0000000 0.0000000 0.1923395), wk = 0.0030303 k( 123) = ( 0.0000000 0.0000000 0.2071348), wk = 0.0030303 k( 124) = ( 0.0000000 0.0000000 0.2219301), wk = 0.0030303 k( 125) = ( 0.0000000 0.0000000 0.2367255), wk = 0.0030303 k( 126) = ( 0.0000000 0.0000000 0.2515208), wk = 0.0030303 k( 127) = ( 0.0000000 0.0000000 0.2663162), wk = 0.0030303 k( 128) = ( 0.0000000 0.0000000 0.2811115), wk = 0.0030303 k( 129) = ( 0.0000000 0.0000000 0.2959068), wk = 0.0030303 k( 130) = ( 0.0000000 0.0000000 0.3107022), wk = 0.0030303 k( 131) = ( 0.0000000 0.0000000 0.3254975), wk = 0.0030303 k( 132) = ( 0.0000000 0.0000000 0.3402929), wk = 0.0030303 k( 133) = ( 0.0000000 0.0000000 0.3550882), wk = 0.0030303 k( 134) = ( 0.0000000 0.0000000 0.3698836), wk = 0.0030303 k( 135) = ( 0.0000000 0.0000000 0.3846789), wk = 0.0030303 k( 136) = ( 0.0000000 0.0000000 0.3994742), wk = 0.0030303 k( 137) = ( 0.0000000 0.0000000 0.4142696), wk = 0.0030303 k( 138) = ( 0.0000000 0.0000000 0.4290649), wk = 0.0030303 k( 139) = ( 0.0000000 0.0000000 0.4438603), wk = 0.0030303 k( 140) = ( 0.0000000 0.0000000 0.4586556), wk = 0.0030303 k( 141) = ( 0.0000000 0.0000000 0.4734509), wk = 0.0030303 k( 142) = ( 0.0000000 0.0000000 0.4882463), wk = 0.0030303 k( 143) = ( 0.0000000 0.0000000 0.5030416), wk = 0.0030303 k( 144) = ( 0.0000000 0.0000000 0.5178370), wk = 0.0030303 k( 145) = ( 0.0000000 0.0000000 0.5326323), wk = 0.0030303 k( 146) = ( 0.0000000 0.0000000 0.5474277), wk = 0.0030303 k( 147) = ( 0.0000000 0.0000000 0.5474277), wk = 0.0030303 k( 148) = ( 0.0128205 0.0074019 0.5474277), wk = 0.0030303 k( 149) = ( 0.0256410 0.0148039 0.5474277), wk = 0.0030303 k( 150) = ( 0.0384615 0.0222058 0.5474277), wk = 0.0030303 k( 151) = ( 0.0512821 0.0296077 0.5474277), wk = 0.0030303 k( 152) = ( 0.0641026 0.0370096 0.5474277), wk = 0.0030303 k( 153) = ( 0.0769231 0.0444116 0.5474277), wk = 0.0030303 k( 154) = ( 0.0897436 0.0518135 0.5474277), wk = 0.0030303 k( 155) = ( 0.1025641 0.0592154 0.5474277), wk = 0.0030303 k( 156) = ( 0.1153846 0.0666173 0.5474277), wk = 0.0030303 k( 157) = ( 0.1282051 0.0740193 0.5474277), wk = 0.0030303 k( 158) = ( 0.1410256 0.0814212 0.5474277), wk = 0.0030303 k( 159) = ( 0.1538461 0.0888231 0.5474277), wk = 0.0030303 k( 160) = ( 0.1666667 0.0962250 0.5474277), wk = 0.0030303 k( 161) = ( 0.1794872 0.1036270 0.5474277), wk = 0.0030303 k( 162) = ( 0.1923077 0.1110289 0.5474277), wk = 0.0030303 k( 163) = ( 0.2051282 0.1184308 0.5474277), wk = 0.0030303 k( 164) = ( 0.2179487 0.1258328 0.5474277), wk = 0.0030303 k( 165) = ( 0.2307692 0.1332347 0.5474277), wk = 0.0030303 k( 166) = ( 0.2435897 0.1406366 0.5474277), wk = 0.0030303 k( 167) = ( 0.2564103 0.1480385 0.5474277), wk = 0.0030303 k( 168) = ( 0.2692308 0.1554405 0.5474277), wk = 0.0030303 k( 169) = ( 0.2820513 0.1628424 0.5474277), wk = 0.0030303 k( 170) = ( 0.2948718 0.1702443 0.5474277), wk = 0.0030303 k( 171) = ( 0.3076923 0.1776462 0.5474277), wk = 0.0030303 k( 172) = ( 0.3205128 0.1850482 0.5474277), wk = 0.0030303 k( 173) = ( 0.3333333 0.1924501 0.5474277), wk = 0.0030303 k( 174) = ( 0.3461538 0.1998520 0.5474277), wk = 0.0030303 k( 175) = ( 0.3589744 0.2072539 0.5474277), wk = 0.0030303 k( 176) = ( 0.3717949 0.2146559 0.5474277), wk = 0.0030303 k( 177) = ( 0.3846154 0.2220578 0.5474277), wk = 0.0030303 k( 178) = ( 0.3974359 0.2294597 0.5474277), wk = 0.0030303 k( 179) = ( 0.4102564 0.2368616 0.5474277), wk = 0.0030303 k( 180) = ( 0.4230769 0.2442636 0.5474277), wk = 0.0030303 k( 181) = ( 0.4358974 0.2516655 0.5474277), wk = 0.0030303 k( 182) = ( 0.4487179 0.2590674 0.5474277), wk = 0.0030303 k( 183) = ( 0.4615385 0.2664694 0.5474277), wk = 0.0030303 k( 184) = ( 0.4743590 0.2738713 0.5474277), wk = 0.0030303 k( 185) = ( 0.4871795 0.2812732 0.5474277), wk = 0.0030303 k( 186) = ( 0.5000000 0.2886751 0.5474277), wk = 0.0030303 k( 187) = ( 0.5000000 0.2886751 0.5474277), wk = 0.0030303 k( 188) = ( 0.4924242 0.3017967 0.5474277), wk = 0.0030303 k( 189) = ( 0.4848485 0.3149183 0.5474277), wk = 0.0030303 k( 190) = ( 0.4772727 0.3280399 0.5474277), wk = 0.0030303 k( 191) = ( 0.4696970 0.3411615 0.5474277), wk = 0.0030303 k( 192) = ( 0.4621212 0.3542831 0.5474277), wk = 0.0030303 k( 193) = ( 0.4545455 0.3674047 0.5474277), wk = 0.0030303 k( 194) = ( 0.4469697 0.3805263 0.5474277), wk = 0.0030303 k( 195) = ( 0.4393939 0.3936479 0.5474277), wk = 0.0030303 k( 196) = ( 0.4318182 0.4067695 0.5474277), wk = 0.0030303 k( 197) = ( 0.4242424 0.4198911 0.5474277), wk = 0.0030303 k( 198) = ( 0.4166667 0.4330127 0.5474277), wk = 0.0030303 k( 199) = ( 0.4090909 0.4461343 0.5474277), wk = 0.0030303 k( 200) = ( 0.4015151 0.4592559 0.5474277), wk = 0.0030303 k( 201) = ( 0.3939394 0.4723775 0.5474277), wk = 0.0030303 k( 202) = ( 0.3863636 0.4854991 0.5474277), wk = 0.0030303 k( 203) = ( 0.3787879 0.4986207 0.5474277), wk = 0.0030303 k( 204) = ( 0.3712121 0.5117423 0.5474277), wk = 0.0030303 k( 205) = ( 0.3636364 0.5248639 0.5474277), wk = 0.0030303 k( 206) = ( 0.3560606 0.5379855 0.5474277), wk = 0.0030303 k( 207) = ( 0.3484849 0.5511071 0.5474277), wk = 0.0030303 k( 208) = ( 0.3409091 0.5642287 0.5474277), wk = 0.0030303 k( 209) = ( 0.3333333 0.5773503 0.5474277), wk = 0.0030303 k( 210) = ( 0.3333333 0.5773503 0.5474277), wk = 0.0030303 k( 211) = ( 0.3257576 0.5642287 0.5474277), wk = 0.0030303 k( 212) = ( 0.3181818 0.5511071 0.5474277), wk = 0.0030303 k( 213) = ( 0.3106061 0.5379855 0.5474277), wk = 0.0030303 k( 214) = ( 0.3030303 0.5248639 0.5474277), wk = 0.0030303 k( 215) = ( 0.2954545 0.5117423 0.5474277), wk = 0.0030303 k( 216) = ( 0.2878788 0.4986207 0.5474277), wk = 0.0030303 k( 217) = ( 0.2803030 0.4854991 0.5474277), wk = 0.0030303 k( 218) = ( 0.2727273 0.4723775 0.5474277), wk = 0.0030303 k( 219) = ( 0.2651515 0.4592559 0.5474277), wk = 0.0030303 k( 220) = ( 0.2575758 0.4461343 0.5474277), wk = 0.0030303 k( 221) = ( 0.2500000 0.4330127 0.5474277), wk = 0.0030303 k( 222) = ( 0.2424242 0.4198911 0.5474277), wk = 0.0030303 k( 223) = ( 0.2348485 0.4067695 0.5474277), wk = 0.0030303 k( 224) = ( 0.2272727 0.3936479 0.5474277), wk = 0.0030303 k( 225) = ( 0.2196970 0.3805263 0.5474277), wk = 0.0030303 k( 226) = ( 0.2121212 0.3674047 0.5474277), wk = 0.0030303 k( 227) = ( 0.2045454 0.3542831 0.5474277), wk = 0.0030303 k( 228) = ( 0.1969697 0.3411615 0.5474277), wk = 0.0030303 k( 229) = ( 0.1893939 0.3280399 0.5474277), wk = 0.0030303 k( 230) = ( 0.1818182 0.3149183 0.5474277), wk = 0.0030303 k( 231) = ( 0.1742424 0.3017967 0.5474277), wk = 0.0030303 k( 232) = ( 0.1666667 0.2886751 0.5474277), wk = 0.0030303 k( 233) = ( 0.1590909 0.2755535 0.5474277), wk = 0.0030303 k( 234) = ( 0.1515151 0.2624319 0.5474277), wk = 0.0030303 k( 235) = ( 0.1439394 0.2493103 0.5474277), wk = 0.0030303 k( 236) = ( 0.1363636 0.2361888 0.5474277), wk = 0.0030303 k( 237) = ( 0.1287879 0.2230672 0.5474277), wk = 0.0030303 k( 238) = ( 0.1212121 0.2099456 0.5474277), wk = 0.0030303 k( 239) = ( 0.1136364 0.1968239 0.5474277), wk = 0.0030303 k( 240) = ( 0.1060606 0.1837024 0.5474277), wk = 0.0030303 k( 241) = ( 0.0984848 0.1705808 0.5474277), wk = 0.0030303 k( 242) = ( 0.0909091 0.1574592 0.5474277), wk = 0.0030303 k( 243) = ( 0.0833333 0.1443376 0.5474277), wk = 0.0030303 k( 244) = ( 0.0757576 0.1312160 0.5474277), wk = 0.0030303 k( 245) = ( 0.0681818 0.1180944 0.5474277), wk = 0.0030303 k( 246) = ( 0.0606061 0.1049728 0.5474277), wk = 0.0030303 k( 247) = ( 0.0530303 0.0918512 0.5474277), wk = 0.0030303 k( 248) = ( 0.0454546 0.0787296 0.5474277), wk = 0.0030303 k( 249) = ( 0.0378788 0.0656080 0.5474277), wk = 0.0030303 k( 250) = ( 0.0303030 0.0524864 0.5474277), wk = 0.0030303 k( 251) = ( 0.0227273 0.0393648 0.5474277), wk = 0.0030303 k( 252) = ( 0.0151515 0.0262432 0.5474277), wk = 0.0030303 k( 253) = ( 0.0075758 0.0131216 0.5474277), wk = 0.0030303 k( 254) = ( 0.0000000 0.0000000 0.5474277), wk = 0.0030303 k( 255) = ( 0.5000000 0.2886751 0.5474277), wk = 0.0030303 k( 256) = ( 0.5000000 0.2886751 0.5326323), wk = 0.0030303 k( 257) = ( 0.5000000 0.2886751 0.5178370), wk = 0.0030303 k( 258) = ( 0.5000000 0.2886751 0.5030416), wk = 0.0030303 k( 259) = ( 0.5000000 0.2886751 0.4882463), wk = 0.0030303 k( 260) = ( 0.5000000 0.2886751 0.4734509), wk = 0.0030303 k( 261) = ( 0.5000000 0.2886751 0.4586556), wk = 0.0030303 k( 262) = ( 0.5000000 0.2886751 0.4438603), wk = 0.0030303 k( 263) = ( 0.5000000 0.2886751 0.4290649), wk = 0.0030303 k( 264) = ( 0.5000000 0.2886751 0.4142696), wk = 0.0030303 k( 265) = ( 0.5000000 0.2886751 0.3994742), wk = 0.0030303 k( 266) = ( 0.5000000 0.2886751 0.3846789), wk = 0.0030303 k( 267) = ( 0.5000000 0.2886751 0.3698836), wk = 0.0030303 k( 268) = ( 0.5000000 0.2886751 0.3550882), wk = 0.0030303 k( 269) = ( 0.5000000 0.2886751 0.3402929), wk = 0.0030303 k( 270) = ( 0.5000000 0.2886751 0.3254975), wk = 0.0030303 k( 271) = ( 0.5000000 0.2886751 0.3107022), wk = 0.0030303 k( 272) = ( 0.5000000 0.2886751 0.2959068), wk = 0.0030303 k( 273) = ( 0.5000000 0.2886751 0.2811115), wk = 0.0030303 k( 274) = ( 0.5000000 0.2886751 0.2663162), wk = 0.0030303 k( 275) = ( 0.5000000 0.2886751 0.2515208), wk = 0.0030303 k( 276) = ( 0.5000000 0.2886751 0.2367255), wk = 0.0030303 k( 277) = ( 0.5000000 0.2886751 0.2219301), wk = 0.0030303 k( 278) = ( 0.5000000 0.2886751 0.2071348), wk = 0.0030303 k( 279) = ( 0.5000000 0.2886751 0.1923395), wk = 0.0030303 k( 280) = ( 0.5000000 0.2886751 0.1775441), wk = 0.0030303 k( 281) = ( 0.5000000 0.2886751 0.1627488), wk = 0.0030303 k( 282) = ( 0.5000000 0.2886751 0.1479534), wk = 0.0030303 k( 283) = ( 0.5000000 0.2886751 0.1331581), wk = 0.0030303 k( 284) = ( 0.5000000 0.2886751 0.1183627), wk = 0.0030303 k( 285) = ( 0.5000000 0.2886751 0.1035674), wk = 0.0030303 k( 286) = ( 0.5000000 0.2886751 0.0887721), wk = 0.0030303 k( 287) = ( 0.5000000 0.2886751 0.0739767), wk = 0.0030303 k( 288) = ( 0.5000000 0.2886751 0.0591814), wk = 0.0030303 k( 289) = ( 0.5000000 0.2886751 0.0443860), wk = 0.0030303 k( 290) = ( 0.5000000 0.2886751 0.0295907), wk = 0.0030303 k( 291) = ( 0.5000000 0.2886751 0.0147953), wk = 0.0030303 k( 292) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0030303 k( 293) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0030303 k( 294) = ( 0.3333333 0.5773503 0.0147953), wk = 0.0030303 k( 295) = ( 0.3333333 0.5773503 0.0295907), wk = 0.0030303 k( 296) = ( 0.3333333 0.5773503 0.0443860), wk = 0.0030303 k( 297) = ( 0.3333333 0.5773503 0.0591814), wk = 0.0030303 k( 298) = ( 0.3333333 0.5773503 0.0739767), wk = 0.0030303 k( 299) = ( 0.3333333 0.5773503 0.0887721), wk = 0.0030303 k( 300) = ( 0.3333333 0.5773503 0.1035674), wk = 0.0030303 k( 301) = ( 0.3333333 0.5773503 0.1183627), wk = 0.0030303 k( 302) = ( 0.3333333 0.5773503 0.1331581), wk = 0.0030303 k( 303) = ( 0.3333333 0.5773503 0.1479534), wk = 0.0030303 k( 304) = ( 0.3333333 0.5773503 0.1627488), wk = 0.0030303 k( 305) = ( 0.3333333 0.5773503 0.1775441), wk = 0.0030303 k( 306) = ( 0.3333333 0.5773503 0.1923395), wk = 0.0030303 k( 307) = ( 0.3333333 0.5773503 0.2071348), wk = 0.0030303 k( 308) = ( 0.3333333 0.5773503 0.2219301), wk = 0.0030303 k( 309) = ( 0.3333333 0.5773503 0.2367255), wk = 0.0030303 k( 310) = ( 0.3333333 0.5773503 0.2515208), wk = 0.0030303 k( 311) = ( 0.3333333 0.5773503 0.2663162), wk = 0.0030303 k( 312) = ( 0.3333333 0.5773503 0.2811115), wk = 0.0030303 k( 313) = ( 0.3333333 0.5773503 0.2959068), wk = 0.0030303 k( 314) = ( 0.3333333 0.5773503 0.3107022), wk = 0.0030303 k( 315) = ( 0.3333333 0.5773503 0.3254975), wk = 0.0030303 k( 316) = ( 0.3333333 0.5773503 0.3402929), wk = 0.0030303 k( 317) = ( 0.3333333 0.5773503 0.3550882), wk = 0.0030303 k( 318) = ( 0.3333333 0.5773503 0.3698836), wk = 0.0030303 k( 319) = ( 0.3333333 0.5773503 0.3846789), wk = 0.0030303 k( 320) = ( 0.3333333 0.5773503 0.3994742), wk = 0.0030303 k( 321) = ( 0.3333333 0.5773503 0.4142696), wk = 0.0030303 k( 322) = ( 0.3333333 0.5773503 0.4290649), wk = 0.0030303 k( 323) = ( 0.3333333 0.5773503 0.4438603), wk = 0.0030303 k( 324) = ( 0.3333333 0.5773503 0.4586556), wk = 0.0030303 k( 325) = ( 0.3333333 0.5773503 0.4734509), wk = 0.0030303 k( 326) = ( 0.3333333 0.5773503 0.4882463), wk = 0.0030303 k( 327) = ( 0.3333333 0.5773503 0.5030416), wk = 0.0030303 k( 328) = ( 0.3333333 0.5773503 0.5178370), wk = 0.0030303 k( 329) = ( 0.3333333 0.5773503 0.5326323), wk = 0.0030303 k( 330) = ( 0.3333333 0.5773503 0.5474277), wk = 0.0030303 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030303 k( 2) = ( 0.0128205 0.0000000 -0.0000000), wk = 0.0030303 k( 3) = ( 0.0256410 0.0000000 -0.0000000), wk = 0.0030303 k( 4) = ( 0.0384615 0.0000000 -0.0000000), wk = 0.0030303 k( 5) = ( 0.0512821 0.0000000 -0.0000000), wk = 0.0030303 k( 6) = ( 0.0641026 0.0000000 -0.0000000), wk = 0.0030303 k( 7) = ( 0.0769231 0.0000000 -0.0000000), wk = 0.0030303 k( 8) = ( 0.0897436 -0.0000000 -0.0000000), wk = 0.0030303 k( 9) = ( 0.1025641 0.0000000 -0.0000000), wk = 0.0030303 k( 10) = ( 0.1153846 -0.0000000 -0.0000000), wk = 0.0030303 k( 11) = ( 0.1282051 0.0000000 -0.0000000), wk = 0.0030303 k( 12) = ( 0.1410256 0.0000000 -0.0000000), wk = 0.0030303 k( 13) = ( 0.1538461 -0.0000000 -0.0000000), wk = 0.0030303 k( 14) = ( 0.1666667 -0.0000000 -0.0000000), wk = 0.0030303 k( 15) = ( 0.1794872 -0.0000000 -0.0000000), wk = 0.0030303 k( 16) = ( 0.1923077 0.0000000 0.0000000), wk = 0.0030303 k( 17) = ( 0.2051282 0.0000000 0.0000000), wk = 0.0030303 k( 18) = ( 0.2179487 0.0000000 -0.0000000), wk = 0.0030303 k( 19) = ( 0.2307692 0.0000000 -0.0000000), wk = 0.0030303 k( 20) = ( 0.2435897 -0.0000000 -0.0000000), wk = 0.0030303 k( 21) = ( 0.2564103 0.0000000 -0.0000000), wk = 0.0030303 k( 22) = ( 0.2692308 0.0000000 -0.0000000), wk = 0.0030303 k( 23) = ( 0.2820513 0.0000000 -0.0000000), wk = 0.0030303 k( 24) = ( 0.2948718 -0.0000000 -0.0000000), wk = 0.0030303 k( 25) = ( 0.3076923 -0.0000000 0.0000000), wk = 0.0030303 k( 26) = ( 0.3205128 -0.0000000 -0.0000000), wk = 0.0030303 k( 27) = ( 0.3333333 0.0000000 -0.0000000), wk = 0.0030303 k( 28) = ( 0.3461538 0.0000000 -0.0000000), wk = 0.0030303 k( 29) = ( 0.3589744 -0.0000000 -0.0000000), wk = 0.0030303 k( 30) = ( 0.3717949 -0.0000000 0.0000000), wk = 0.0030303 k( 31) = ( 0.3846154 0.0000000 0.0000000), wk = 0.0030303 k( 32) = ( 0.3974359 0.0000000 -0.0000000), wk = 0.0030303 k( 33) = ( 0.4102564 0.0000000 -0.0000000), wk = 0.0030303 k( 34) = ( 0.4230769 0.0000000 -0.0000000), wk = 0.0030303 k( 35) = ( 0.4358974 0.0000000 -0.0000000), wk = 0.0030303 k( 36) = ( 0.4487179 0.0000000 -0.0000000), wk = 0.0030303 k( 37) = ( 0.4615385 0.0000000 -0.0000000), wk = 0.0030303 k( 38) = ( 0.4743590 -0.0000000 -0.0000000), wk = 0.0030303 k( 39) = ( 0.4871795 -0.0000000 -0.0000000), wk = 0.0030303 k( 40) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0030303 k( 41) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0030303 k( 42) = ( 0.4924242 0.0151515 0.0000000), wk = 0.0030303 k( 43) = ( 0.4848485 0.0303030 -0.0000000), wk = 0.0030303 k( 44) = ( 0.4772727 0.0454546 -0.0000000), wk = 0.0030303 k( 45) = ( 0.4696970 0.0606061 0.0000000), wk = 0.0030303 k( 46) = ( 0.4621212 0.0757576 -0.0000000), wk = 0.0030303 k( 47) = ( 0.4545455 0.0909091 -0.0000000), wk = 0.0030303 k( 48) = ( 0.4469697 0.1060606 -0.0000000), wk = 0.0030303 k( 49) = ( 0.4393939 0.1212121 -0.0000000), wk = 0.0030303 k( 50) = ( 0.4318182 0.1363636 0.0000000), wk = 0.0030303 k( 51) = ( 0.4242424 0.1515152 -0.0000000), wk = 0.0030303 k( 52) = ( 0.4166667 0.1666667 0.0000000), wk = 0.0030303 k( 53) = ( 0.4090909 0.1818182 -0.0000000), wk = 0.0030303 k( 54) = ( 0.4015151 0.1969697 -0.0000000), wk = 0.0030303 k( 55) = ( 0.3939394 0.2121212 0.0000000), wk = 0.0030303 k( 56) = ( 0.3863636 0.2272727 -0.0000000), wk = 0.0030303 k( 57) = ( 0.3787879 0.2424242 -0.0000000), wk = 0.0030303 k( 58) = ( 0.3712121 0.2575758 -0.0000000), wk = 0.0030303 k( 59) = ( 0.3636364 0.2727273 0.0000000), wk = 0.0030303 k( 60) = ( 0.3560606 0.2878788 0.0000000), wk = 0.0030303 k( 61) = ( 0.3484849 0.3030303 -0.0000000), wk = 0.0030303 k( 62) = ( 0.3409091 0.3181818 0.0000000), wk = 0.0030303 k( 63) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0030303 k( 64) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0030303 k( 65) = ( 0.3257576 0.3257576 0.0000000), wk = 0.0030303 k( 66) = ( 0.3181818 0.3181818 -0.0000000), wk = 0.0030303 k( 67) = ( 0.3106061 0.3106061 0.0000000), wk = 0.0030303 k( 68) = ( 0.3030303 0.3030303 0.0000000), wk = 0.0030303 k( 69) = ( 0.2954545 0.2954545 -0.0000000), wk = 0.0030303 k( 70) = ( 0.2878788 0.2878788 -0.0000000), wk = 0.0030303 k( 71) = ( 0.2803030 0.2803030 -0.0000000), wk = 0.0030303 k( 72) = ( 0.2727273 0.2727273 0.0000000), wk = 0.0030303 k( 73) = ( 0.2651515 0.2651515 0.0000000), wk = 0.0030303 k( 74) = ( 0.2575758 0.2575758 -0.0000000), wk = 0.0030303 k( 75) = ( 0.2500000 0.2500000 -0.0000000), wk = 0.0030303 k( 76) = ( 0.2424242 0.2424242 0.0000000), wk = 0.0030303 k( 77) = ( 0.2348485 0.2348485 0.0000000), wk = 0.0030303 k( 78) = ( 0.2272727 0.2272727 -0.0000000), wk = 0.0030303 k( 79) = ( 0.2196970 0.2196970 -0.0000000), wk = 0.0030303 k( 80) = ( 0.2121212 0.2121212 0.0000000), wk = 0.0030303 k( 81) = ( 0.2045454 0.2045455 -0.0000000), wk = 0.0030303 k( 82) = ( 0.1969697 0.1969697 -0.0000000), wk = 0.0030303 k( 83) = ( 0.1893939 0.1893939 -0.0000000), wk = 0.0030303 k( 84) = ( 0.1818182 0.1818182 0.0000000), wk = 0.0030303 k( 85) = ( 0.1742424 0.1742424 -0.0000000), wk = 0.0030303 k( 86) = ( 0.1666667 0.1666667 0.0000000), wk = 0.0030303 k( 87) = ( 0.1590909 0.1590909 -0.0000000), wk = 0.0030303 k( 88) = ( 0.1515151 0.1515152 0.0000000), wk = 0.0030303 k( 89) = ( 0.1439394 0.1439394 -0.0000000), wk = 0.0030303 k( 90) = ( 0.1363636 0.1363636 -0.0000000), wk = 0.0030303 k( 91) = ( 0.1287879 0.1287879 -0.0000000), wk = 0.0030303 k( 92) = ( 0.1212121 0.1212121 0.0000000), wk = 0.0030303 k( 93) = ( 0.1136364 0.1136364 -0.0000000), wk = 0.0030303 k( 94) = ( 0.1060606 0.1060606 -0.0000000), wk = 0.0030303 k( 95) = ( 0.0984848 0.0984849 -0.0000000), wk = 0.0030303 k( 96) = ( 0.0909091 0.0909091 0.0000000), wk = 0.0030303 k( 97) = ( 0.0833333 0.0833333 -0.0000000), wk = 0.0030303 k( 98) = ( 0.0757576 0.0757576 -0.0000000), wk = 0.0030303 k( 99) = ( 0.0681818 0.0681818 -0.0000000), wk = 0.0030303 k( 100) = ( 0.0606061 0.0606061 0.0000000), wk = 0.0030303 k( 101) = ( 0.0530303 0.0530303 -0.0000000), wk = 0.0030303 k( 102) = ( 0.0454546 0.0454545 -0.0000000), wk = 0.0030303 k( 103) = ( 0.0378788 0.0378788 -0.0000000), wk = 0.0030303 k( 104) = ( 0.0303030 0.0303030 0.0000000), wk = 0.0030303 k( 105) = ( 0.0227273 0.0227273 -0.0000000), wk = 0.0030303 k( 106) = ( 0.0151515 0.0151515 0.0000000), wk = 0.0030303 k( 107) = ( 0.0075758 0.0075758 0.0000000), wk = 0.0030303 k( 108) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030303 k( 109) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030303 k( 110) = ( 0.0000000 0.0000000 0.0135135), wk = 0.0030303 k( 111) = ( 0.0000000 0.0000000 0.0270270), wk = 0.0030303 k( 112) = ( 0.0000000 0.0000000 0.0405405), wk = 0.0030303 k( 113) = ( 0.0000000 0.0000000 0.0540540), wk = 0.0030303 k( 114) = ( 0.0000000 0.0000000 0.0675676), wk = 0.0030303 k( 115) = ( 0.0000000 0.0000000 0.0810811), wk = 0.0030303 k( 116) = ( 0.0000000 0.0000000 0.0945946), wk = 0.0030303 k( 117) = ( 0.0000000 0.0000000 0.1081081), wk = 0.0030303 k( 118) = ( 0.0000000 0.0000000 0.1216216), wk = 0.0030303 k( 119) = ( 0.0000000 0.0000000 0.1351351), wk = 0.0030303 k( 120) = ( 0.0000000 0.0000000 0.1486486), wk = 0.0030303 k( 121) = ( 0.0000000 0.0000000 0.1621622), wk = 0.0030303 k( 122) = ( 0.0000000 0.0000000 0.1756757), wk = 0.0030303 k( 123) = ( 0.0000000 0.0000000 0.1891892), wk = 0.0030303 k( 124) = ( 0.0000000 0.0000000 0.2027027), wk = 0.0030303 k( 125) = ( 0.0000000 0.0000000 0.2162162), wk = 0.0030303 k( 126) = ( 0.0000000 0.0000000 0.2297297), wk = 0.0030303 k( 127) = ( 0.0000000 0.0000000 0.2432432), wk = 0.0030303 k( 128) = ( 0.0000000 0.0000000 0.2567568), wk = 0.0030303 k( 129) = ( 0.0000000 0.0000000 0.2702703), wk = 0.0030303 k( 130) = ( 0.0000000 0.0000000 0.2837838), wk = 0.0030303 k( 131) = ( 0.0000000 0.0000000 0.2972973), wk = 0.0030303 k( 132) = ( 0.0000000 0.0000000 0.3108108), wk = 0.0030303 k( 133) = ( 0.0000000 0.0000000 0.3243243), wk = 0.0030303 k( 134) = ( 0.0000000 0.0000000 0.3378378), wk = 0.0030303 k( 135) = ( 0.0000000 0.0000000 0.3513514), wk = 0.0030303 k( 136) = ( 0.0000000 0.0000000 0.3648649), wk = 0.0030303 k( 137) = ( 0.0000000 0.0000000 0.3783784), wk = 0.0030303 k( 138) = ( 0.0000000 0.0000000 0.3918919), wk = 0.0030303 k( 139) = ( 0.0000000 0.0000000 0.4054054), wk = 0.0030303 k( 140) = ( 0.0000000 0.0000000 0.4189189), wk = 0.0030303 k( 141) = ( 0.0000000 0.0000000 0.4324324), wk = 0.0030303 k( 142) = ( 0.0000000 0.0000000 0.4459459), wk = 0.0030303 k( 143) = ( 0.0000000 0.0000000 0.4594595), wk = 0.0030303 k( 144) = ( 0.0000000 0.0000000 0.4729730), wk = 0.0030303 k( 145) = ( 0.0000000 0.0000000 0.4864865), wk = 0.0030303 k( 146) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0030303 k( 147) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0030303 k( 148) = ( 0.0128205 0.0000000 0.5000000), wk = 0.0030303 k( 149) = ( 0.0256410 0.0000000 0.5000000), wk = 0.0030303 k( 150) = ( 0.0384615 0.0000000 0.5000000), wk = 0.0030303 k( 151) = ( 0.0512821 0.0000000 0.5000000), wk = 0.0030303 k( 152) = ( 0.0641026 0.0000000 0.5000000), wk = 0.0030303 k( 153) = ( 0.0769231 0.0000000 0.5000000), wk = 0.0030303 k( 154) = ( 0.0897436 -0.0000000 0.5000000), wk = 0.0030303 k( 155) = ( 0.1025641 0.0000000 0.5000000), wk = 0.0030303 k( 156) = ( 0.1153846 -0.0000000 0.5000000), wk = 0.0030303 k( 157) = ( 0.1282051 0.0000000 0.5000000), wk = 0.0030303 k( 158) = ( 0.1410256 0.0000000 0.5000000), wk = 0.0030303 k( 159) = ( 0.1538461 -0.0000000 0.5000000), wk = 0.0030303 k( 160) = ( 0.1666667 -0.0000000 0.5000000), wk = 0.0030303 k( 161) = ( 0.1794872 -0.0000000 0.5000000), wk = 0.0030303 k( 162) = ( 0.1923077 0.0000000 0.5000000), wk = 0.0030303 k( 163) = ( 0.2051282 0.0000000 0.5000000), wk = 0.0030303 k( 164) = ( 0.2179487 0.0000000 0.5000000), wk = 0.0030303 k( 165) = ( 0.2307692 0.0000000 0.5000000), wk = 0.0030303 k( 166) = ( 0.2435897 -0.0000000 0.5000000), wk = 0.0030303 k( 167) = ( 0.2564103 0.0000000 0.5000000), wk = 0.0030303 k( 168) = ( 0.2692308 0.0000000 0.5000000), wk = 0.0030303 k( 169) = ( 0.2820513 0.0000000 0.5000000), wk = 0.0030303 k( 170) = ( 0.2948718 -0.0000000 0.5000000), wk = 0.0030303 k( 171) = ( 0.3076923 -0.0000000 0.5000000), wk = 0.0030303 k( 172) = ( 0.3205128 -0.0000000 0.5000000), wk = 0.0030303 k( 173) = ( 0.3333333 0.0000000 0.5000000), wk = 0.0030303 k( 174) = ( 0.3461538 0.0000000 0.5000000), wk = 0.0030303 k( 175) = ( 0.3589744 -0.0000000 0.5000000), wk = 0.0030303 k( 176) = ( 0.3717949 -0.0000000 0.5000000), wk = 0.0030303 k( 177) = ( 0.3846154 0.0000000 0.5000000), wk = 0.0030303 k( 178) = ( 0.3974359 0.0000000 0.5000000), wk = 0.0030303 k( 179) = ( 0.4102564 0.0000000 0.5000000), wk = 0.0030303 k( 180) = ( 0.4230769 0.0000000 0.5000000), wk = 0.0030303 k( 181) = ( 0.4358974 0.0000000 0.5000000), wk = 0.0030303 k( 182) = ( 0.4487179 0.0000000 0.5000000), wk = 0.0030303 k( 183) = ( 0.4615385 0.0000000 0.5000000), wk = 0.0030303 k( 184) = ( 0.4743590 -0.0000000 0.5000000), wk = 0.0030303 k( 185) = ( 0.4871795 -0.0000000 0.5000000), wk = 0.0030303 k( 186) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0030303 k( 187) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0030303 k( 188) = ( 0.4924242 0.0151515 0.5000000), wk = 0.0030303 k( 189) = ( 0.4848485 0.0303030 0.5000000), wk = 0.0030303 k( 190) = ( 0.4772727 0.0454546 0.5000000), wk = 0.0030303 k( 191) = ( 0.4696970 0.0606061 0.5000000), wk = 0.0030303 k( 192) = ( 0.4621212 0.0757576 0.5000000), wk = 0.0030303 k( 193) = ( 0.4545455 0.0909091 0.5000000), wk = 0.0030303 k( 194) = ( 0.4469697 0.1060606 0.5000000), wk = 0.0030303 k( 195) = ( 0.4393939 0.1212121 0.5000000), wk = 0.0030303 k( 196) = ( 0.4318182 0.1363636 0.5000000), wk = 0.0030303 k( 197) = ( 0.4242424 0.1515152 0.5000000), wk = 0.0030303 k( 198) = ( 0.4166667 0.1666667 0.5000000), wk = 0.0030303 k( 199) = ( 0.4090909 0.1818182 0.5000000), wk = 0.0030303 k( 200) = ( 0.4015151 0.1969697 0.5000000), wk = 0.0030303 k( 201) = ( 0.3939394 0.2121212 0.5000000), wk = 0.0030303 k( 202) = ( 0.3863636 0.2272727 0.5000000), wk = 0.0030303 k( 203) = ( 0.3787879 0.2424242 0.5000000), wk = 0.0030303 k( 204) = ( 0.3712121 0.2575758 0.5000000), wk = 0.0030303 k( 205) = ( 0.3636364 0.2727273 0.5000000), wk = 0.0030303 k( 206) = ( 0.3560606 0.2878788 0.5000000), wk = 0.0030303 k( 207) = ( 0.3484849 0.3030303 0.5000000), wk = 0.0030303 k( 208) = ( 0.3409091 0.3181818 0.5000000), wk = 0.0030303 k( 209) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0030303 k( 210) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0030303 k( 211) = ( 0.3257576 0.3257576 0.5000000), wk = 0.0030303 k( 212) = ( 0.3181818 0.3181818 0.5000000), wk = 0.0030303 k( 213) = ( 0.3106061 0.3106061 0.5000000), wk = 0.0030303 k( 214) = ( 0.3030303 0.3030303 0.5000000), wk = 0.0030303 k( 215) = ( 0.2954545 0.2954545 0.5000000), wk = 0.0030303 k( 216) = ( 0.2878788 0.2878788 0.5000000), wk = 0.0030303 k( 217) = ( 0.2803030 0.2803030 0.5000000), wk = 0.0030303 k( 218) = ( 0.2727273 0.2727273 0.5000000), wk = 0.0030303 k( 219) = ( 0.2651515 0.2651515 0.5000000), wk = 0.0030303 k( 220) = ( 0.2575758 0.2575758 0.5000000), wk = 0.0030303 k( 221) = ( 0.2500000 0.2500000 0.5000000), wk = 0.0030303 k( 222) = ( 0.2424242 0.2424242 0.5000000), wk = 0.0030303 k( 223) = ( 0.2348485 0.2348485 0.5000000), wk = 0.0030303 k( 224) = ( 0.2272727 0.2272727 0.5000000), wk = 0.0030303 k( 225) = ( 0.2196970 0.2196970 0.5000000), wk = 0.0030303 k( 226) = ( 0.2121212 0.2121212 0.5000000), wk = 0.0030303 k( 227) = ( 0.2045454 0.2045455 0.5000000), wk = 0.0030303 k( 228) = ( 0.1969697 0.1969697 0.5000000), wk = 0.0030303 k( 229) = ( 0.1893939 0.1893939 0.5000000), wk = 0.0030303 k( 230) = ( 0.1818182 0.1818182 0.5000000), wk = 0.0030303 k( 231) = ( 0.1742424 0.1742424 0.5000000), wk = 0.0030303 k( 232) = ( 0.1666667 0.1666667 0.5000000), wk = 0.0030303 k( 233) = ( 0.1590909 0.1590909 0.5000000), wk = 0.0030303 k( 234) = ( 0.1515151 0.1515152 0.5000000), wk = 0.0030303 k( 235) = ( 0.1439394 0.1439394 0.5000000), wk = 0.0030303 k( 236) = ( 0.1363636 0.1363636 0.5000000), wk = 0.0030303 k( 237) = ( 0.1287879 0.1287879 0.5000000), wk = 0.0030303 k( 238) = ( 0.1212121 0.1212121 0.5000000), wk = 0.0030303 k( 239) = ( 0.1136364 0.1136364 0.5000000), wk = 0.0030303 k( 240) = ( 0.1060606 0.1060606 0.5000000), wk = 0.0030303 k( 241) = ( 0.0984848 0.0984849 0.5000000), wk = 0.0030303 k( 242) = ( 0.0909091 0.0909091 0.5000000), wk = 0.0030303 k( 243) = ( 0.0833333 0.0833333 0.5000000), wk = 0.0030303 k( 244) = ( 0.0757576 0.0757576 0.5000000), wk = 0.0030303 k( 245) = ( 0.0681818 0.0681818 0.5000000), wk = 0.0030303 k( 246) = ( 0.0606061 0.0606061 0.5000000), wk = 0.0030303 k( 247) = ( 0.0530303 0.0530303 0.5000000), wk = 0.0030303 k( 248) = ( 0.0454546 0.0454545 0.5000000), wk = 0.0030303 k( 249) = ( 0.0378788 0.0378788 0.5000000), wk = 0.0030303 k( 250) = ( 0.0303030 0.0303030 0.5000000), wk = 0.0030303 k( 251) = ( 0.0227273 0.0227273 0.5000000), wk = 0.0030303 k( 252) = ( 0.0151515 0.0151515 0.5000000), wk = 0.0030303 k( 253) = ( 0.0075758 0.0075758 0.5000000), wk = 0.0030303 k( 254) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0030303 k( 255) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0030303 k( 256) = ( 0.5000000 0.0000000 0.4864865), wk = 0.0030303 k( 257) = ( 0.5000000 0.0000000 0.4729730), wk = 0.0030303 k( 258) = ( 0.5000000 0.0000000 0.4594595), wk = 0.0030303 k( 259) = ( 0.5000000 0.0000000 0.4459459), wk = 0.0030303 k( 260) = ( 0.5000000 0.0000000 0.4324324), wk = 0.0030303 k( 261) = ( 0.5000000 0.0000000 0.4189189), wk = 0.0030303 k( 262) = ( 0.5000000 0.0000000 0.4054054), wk = 0.0030303 k( 263) = ( 0.5000000 0.0000000 0.3918919), wk = 0.0030303 k( 264) = ( 0.5000000 0.0000000 0.3783784), wk = 0.0030303 k( 265) = ( 0.5000000 0.0000000 0.3648649), wk = 0.0030303 k( 266) = ( 0.5000000 0.0000000 0.3513514), wk = 0.0030303 k( 267) = ( 0.5000000 0.0000000 0.3378378), wk = 0.0030303 k( 268) = ( 0.5000000 0.0000000 0.3243243), wk = 0.0030303 k( 269) = ( 0.5000000 0.0000000 0.3108108), wk = 0.0030303 k( 270) = ( 0.5000000 0.0000000 0.2972973), wk = 0.0030303 k( 271) = ( 0.5000000 0.0000000 0.2837838), wk = 0.0030303 k( 272) = ( 0.5000000 0.0000000 0.2702703), wk = 0.0030303 k( 273) = ( 0.5000000 0.0000000 0.2567568), wk = 0.0030303 k( 274) = ( 0.5000000 0.0000000 0.2432432), wk = 0.0030303 k( 275) = ( 0.5000000 0.0000000 0.2297297), wk = 0.0030303 k( 276) = ( 0.5000000 0.0000000 0.2162162), wk = 0.0030303 k( 277) = ( 0.5000000 0.0000000 0.2027027), wk = 0.0030303 k( 278) = ( 0.5000000 0.0000000 0.1891892), wk = 0.0030303 k( 279) = ( 0.5000000 0.0000000 0.1756757), wk = 0.0030303 k( 280) = ( 0.5000000 0.0000000 0.1621622), wk = 0.0030303 k( 281) = ( 0.5000000 0.0000000 0.1486486), wk = 0.0030303 k( 282) = ( 0.5000000 0.0000000 0.1351351), wk = 0.0030303 k( 283) = ( 0.5000000 0.0000000 0.1216216), wk = 0.0030303 k( 284) = ( 0.5000000 0.0000000 0.1081081), wk = 0.0030303 k( 285) = ( 0.5000000 0.0000000 0.0945946), wk = 0.0030303 k( 286) = ( 0.5000000 0.0000000 0.0810811), wk = 0.0030303 k( 287) = ( 0.5000000 0.0000000 0.0675676), wk = 0.0030303 k( 288) = ( 0.5000000 0.0000000 0.0540540), wk = 0.0030303 k( 289) = ( 0.5000000 0.0000000 0.0405405), wk = 0.0030303 k( 290) = ( 0.5000000 0.0000000 0.0270270), wk = 0.0030303 k( 291) = ( 0.5000000 0.0000000 0.0135135), wk = 0.0030303 k( 292) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0030303 k( 293) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0030303 k( 294) = ( 0.3333333 0.3333333 0.0135135), wk = 0.0030303 k( 295) = ( 0.3333333 0.3333333 0.0270270), wk = 0.0030303 k( 296) = ( 0.3333333 0.3333333 0.0405405), wk = 0.0030303 k( 297) = ( 0.3333333 0.3333333 0.0540540), wk = 0.0030303 k( 298) = ( 0.3333333 0.3333333 0.0675676), wk = 0.0030303 k( 299) = ( 0.3333333 0.3333333 0.0810811), wk = 0.0030303 k( 300) = ( 0.3333333 0.3333333 0.0945946), wk = 0.0030303 k( 301) = ( 0.3333333 0.3333333 0.1081081), wk = 0.0030303 k( 302) = ( 0.3333333 0.3333333 0.1216216), wk = 0.0030303 k( 303) = ( 0.3333333 0.3333333 0.1351351), wk = 0.0030303 k( 304) = ( 0.3333333 0.3333333 0.1486486), wk = 0.0030303 k( 305) = ( 0.3333333 0.3333333 0.1621622), wk = 0.0030303 k( 306) = ( 0.3333333 0.3333333 0.1756757), wk = 0.0030303 k( 307) = ( 0.3333333 0.3333333 0.1891892), wk = 0.0030303 k( 308) = ( 0.3333333 0.3333333 0.2027027), wk = 0.0030303 k( 309) = ( 0.3333333 0.3333333 0.2162162), wk = 0.0030303 k( 310) = ( 0.3333333 0.3333333 0.2297297), wk = 0.0030303 k( 311) = ( 0.3333333 0.3333333 0.2432432), wk = 0.0030303 k( 312) = ( 0.3333333 0.3333333 0.2567568), wk = 0.0030303 k( 313) = ( 0.3333333 0.3333333 0.2702703), wk = 0.0030303 k( 314) = ( 0.3333333 0.3333333 0.2837838), wk = 0.0030303 k( 315) = ( 0.3333333 0.3333333 0.2972973), wk = 0.0030303 k( 316) = ( 0.3333333 0.3333333 0.3108108), wk = 0.0030303 k( 317) = ( 0.3333333 0.3333333 0.3243243), wk = 0.0030303 k( 318) = ( 0.3333333 0.3333333 0.3378378), wk = 0.0030303 k( 319) = ( 0.3333333 0.3333333 0.3513514), wk = 0.0030303 k( 320) = ( 0.3333333 0.3333333 0.3648649), wk = 0.0030303 k( 321) = ( 0.3333333 0.3333333 0.3783784), wk = 0.0030303 k( 322) = ( 0.3333333 0.3333333 0.3918919), wk = 0.0030303 k( 323) = ( 0.3333333 0.3333333 0.4054054), wk = 0.0030303 k( 324) = ( 0.3333333 0.3333333 0.4189189), wk = 0.0030303 k( 325) = ( 0.3333333 0.3333333 0.4324324), wk = 0.0030303 k( 326) = ( 0.3333333 0.3333333 0.4459459), wk = 0.0030303 k( 327) = ( 0.3333333 0.3333333 0.4594595), wk = 0.0030303 k( 328) = ( 0.3333333 0.3333333 0.4729730), wk = 0.0030303 k( 329) = ( 0.3333333 0.3333333 0.4864865), wk = 0.0030303 k( 330) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0030303 Dense grid: 57767 G-vectors FFT dimensions: ( 54, 54, 48) Smooth grid: 24377 G-vectors FFT dimensions: ( 40, 40, 36) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.19 Mb ( 180, 68) NL pseudopotentials 0.32 Mb ( 90, 232) Each V/rho on FFT grid 0.09 Mb ( 5832) Each G-vector array 0.01 Mb ( 1604) G-vector shells 0.01 Mb ( 747) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.75 Mb ( 180, 272) Each subspace H/S matrix 0.07 Mb ( 68, 68) Each matrix 0.48 Mb ( 232, 2, 68) The potential is recalculated from file : ./Fe3C.save/charge-density.dat Starting wfc are 124 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.4 secs Computing kpt #: 2 total cpu time spent up to now is 3.2 secs Computing kpt #: 3 total cpu time spent up to now is 3.9 secs Computing kpt #: 4 total cpu time spent up to now is 4.6 secs Computing kpt #: 5 total cpu time spent up to now is 5.3 secs Computing kpt #: 6 total cpu time spent up to now is 6.0 secs Computing kpt #: 7 total cpu time spent up to now is 6.8 secs Computing kpt #: 8 total cpu time spent up to now is 7.5 secs Computing kpt #: 9 total cpu time spent up to now is 8.2 secs Computing kpt #: 10 total cpu time spent up to now is 8.9 secs Computing kpt #: 11 total cpu time spent up to now is 9.7 secs Computing kpt #: 12 total cpu time spent up to now is 10.5 secs Computing kpt #: 13 total cpu time spent up to now is 11.3 secs Computing kpt #: 14 total cpu time spent up to now is 12.1 secs Computing kpt #: 15 total cpu time spent up to now is 13.0 secs Computing kpt #: 16 total cpu time spent up to now is 13.9 secs Computing kpt #: 17 total cpu time spent up to now is 14.9 secs Computing kpt #: 18 total cpu time spent up to now is 15.9 secs Computing kpt #: 19 total cpu time spent up to now is 17.0 secs Computing kpt #: 20 total cpu time spent up to now is 18.0 secs Computing kpt #: 21 total cpu time spent up to now is 19.0 secs Computing kpt #: 22 total cpu time spent up to now is 19.9 secs Computing kpt #: 23 total cpu time spent up to now is 20.9 secs Computing kpt #: 24 total cpu time spent up to now is 21.7 secs Computing kpt #: 25 total cpu time spent up to now is 22.6 secs Computing kpt #: 26 total cpu time spent up to now is 23.4 secs Computing kpt #: 27 total cpu time spent up to now is 24.2 secs Computing kpt #: 28 total cpu time spent up to now is 25.0 secs Computing kpt #: 29 total cpu time spent up to now is 25.8 secs Computing kpt #: 30 total cpu time spent up to now is 26.6 secs Computing kpt #: 31 total cpu time spent up to now is 27.5 secs Computing kpt #: 32 total cpu time spent up to now is 28.4 secs Computing kpt #: 33 total cpu time spent up to now is 29.4 secs Computing kpt #: 34 total cpu time spent up to now is 30.4 secs Computing kpt #: 35 total cpu time spent up to now is 31.6 secs Computing kpt #: 36 total cpu time spent up to now is 32.7 secs Computing kpt #: 37 total cpu time spent up to now is 33.8 secs Computing kpt #: 38 total cpu time spent up to now is 34.8 secs Computing kpt #: 39 total cpu time spent up to now is 35.8 secs Computing kpt #: 40 total cpu time spent up to now is 36.8 secs Computing kpt #: 41 total cpu time spent up to now is 37.8 secs Computing kpt #: 42 total cpu time spent up to now is 38.7 secs Computing kpt #: 43 total cpu time spent up to now is 39.8 secs Computing kpt #: 44 total cpu time spent up to now is 40.8 secs Computing kpt #: 45 total cpu time spent up to now is 41.9 secs Computing kpt #: 46 total cpu time spent up to now is 43.2 secs Computing kpt #: 47 total cpu time spent up to now is 44.4 secs Computing kpt #: 48 total cpu time spent up to now is 45.6 secs Computing kpt #: 49 total cpu time spent up to now is 46.7 secs Computing kpt #: 50 total cpu time spent up to now is 48.0 secs Computing kpt #: 51 total cpu time spent up to now is 49.2 secs Computing kpt #: 52 total cpu time spent up to now is 50.4 secs Computing kpt #: 53 total cpu time spent up to now is 51.5 secs Computing kpt #: 54 total cpu time spent up to now is 53.2 secs Computing kpt #: 55 total cpu time spent up to now is 54.9 secs Computing kpt #: 56 total cpu time spent up to now is 56.8 secs Computing kpt #: 57 total cpu time spent up to now is 58.7 secs Computing kpt #: 58 total cpu time spent up to now is 60.5 secs Computing kpt #: 59 total cpu time spent up to now is 62.4 secs Computing kpt #: 60 total cpu time spent up to now is 63.9 secs Computing kpt #: 61 total cpu time spent up to now is 65.2 secs Computing kpt #: 62 total cpu time spent up to now is 66.8 secs Computing kpt #: 63 total cpu time spent up to now is 68.6 secs Computing kpt #: 64 total cpu time spent up to now is 69.9 secs Computing kpt #: 65 total cpu time spent up to now is 71.2 secs Computing kpt #: 66 total cpu time spent up to now is 72.6 secs Computing kpt #: 67 total cpu time spent up to now is 73.6 secs Computing kpt #: 68 total cpu time spent up to now is 74.6 secs Computing kpt #: 69 total cpu time spent up to now is 75.5 secs Computing kpt #: 70 total cpu time spent up to now is 76.4 secs Computing kpt #: 71 total cpu time spent up to now is 77.2 secs Computing kpt #: 72 total cpu time spent up to now is 78.1 secs Computing kpt #: 73 total cpu time spent up to now is 78.9 secs Computing kpt #: 74 total cpu time spent up to now is 79.7 secs Computing kpt #: 75 total cpu time spent up to now is 80.6 secs Computing kpt #: 76 total cpu time spent up to now is 81.4 secs Computing kpt #: 77 total cpu time spent up to now is 82.1 secs Computing kpt #: 78 total cpu time spent up to now is 82.9 secs Computing kpt #: 79 total cpu time spent up to now is 83.7 secs Computing kpt #: 80 total cpu time spent up to now is 84.4 secs Computing kpt #: 81 total cpu time spent up to now is 85.1 secs Computing kpt #: 82 total cpu time spent up to now is 85.9 secs Computing kpt #: 83 total cpu time spent up to now is 86.7 secs Computing kpt #: 84 total cpu time spent up to now is 87.5 secs Computing kpt #: 85 total cpu time spent up to now is 88.2 secs Computing kpt #: 86 total cpu time spent up to now is 89.0 secs Computing kpt #: 87 total cpu time spent up to now is 89.8 secs Computing kpt #: 88 total cpu time spent up to now is 90.6 secs Computing kpt #: 89 total cpu time spent up to now is 91.4 secs Computing kpt #: 90 total cpu time spent up to now is 92.3 secs Computing kpt #: 91 total cpu time spent up to now is 93.1 secs Computing kpt #: 92 total cpu time spent up to now is 94.0 secs Computing kpt #: 93 total cpu time spent up to now is 94.8 secs Computing kpt #: 94 total cpu time spent up to now is 95.7 secs Computing kpt #: 95 total cpu time spent up to now is 96.4 secs Computing kpt #: 96 total cpu time spent up to now is 97.2 secs Computing kpt #: 97 total cpu time spent up to now is 98.0 secs Computing kpt #: 98 total cpu time spent up to now is 98.7 secs Computing kpt #: 99 total cpu time spent up to now is 99.6 secs Computing kpt #: 100 total cpu time spent up to now is 100.5 secs Computing kpt #: 101 total cpu time spent up to now is 101.4 secs Computing kpt #: 102 total cpu time spent up to now is 102.1 secs Computing kpt #: 103 total cpu time spent up to now is 102.8 secs Computing kpt #: 104 total cpu time spent up to now is 103.5 secs Computing kpt #: 105 total cpu time spent up to now is 104.3 secs Computing kpt #: 106 total cpu time spent up to now is 104.9 secs Computing kpt #: 107 total cpu time spent up to now is 105.7 secs Computing kpt #: 108 total cpu time spent up to now is 106.4 secs Computing kpt #: 109 total cpu time spent up to now is 107.1 secs Computing kpt #: 110 total cpu time spent up to now is 107.8 secs Computing kpt #: 111 total cpu time spent up to now is 108.5 secs Computing kpt #: 112 total cpu time spent up to now is 109.2 secs Computing kpt #: 113 total cpu time spent up to now is 109.9 secs Computing kpt #: 114 total cpu time spent up to now is 110.6 secs Computing kpt #: 115 total cpu time spent up to now is 111.3 secs Computing kpt #: 116 total cpu time spent up to now is 112.1 secs Computing kpt #: 117 total cpu time spent up to now is 112.7 secs Computing kpt #: 118 total cpu time spent up to now is 113.5 secs Computing kpt #: 119 total cpu time spent up to now is 114.3 secs Computing kpt #: 120 total cpu time spent up to now is 115.0 secs Computing kpt #: 121 total cpu time spent up to now is 115.8 secs Computing kpt #: 122 total cpu time spent up to now is 116.6 secs Computing kpt #: 123 total cpu time spent up to now is 117.4 secs Computing kpt #: 124 total cpu time spent up to now is 118.3 secs Computing kpt #: 125 total cpu time spent up to now is 119.2 secs Computing kpt #: 126 total cpu time spent up to now is 120.2 secs Computing kpt #: 127 total cpu time spent up to now is 121.5 secs Computing kpt #: 128 total cpu time spent up to now is 122.4 secs Computing kpt #: 129 total cpu time spent up to now is 123.2 secs Computing kpt #: 130 total cpu time spent up to now is 124.0 secs Computing kpt #: 131 total cpu time spent up to now is 124.7 secs Computing kpt #: 132 total cpu time spent up to now is 125.5 secs Computing kpt #: 133 total cpu time spent up to now is 126.2 secs Computing kpt #: 134 total cpu time spent up to now is 126.8 secs Computing kpt #: 135 total cpu time spent up to now is 127.5 secs Computing kpt #: 136 total cpu time spent up to now is 128.1 secs Computing kpt #: 137 total cpu time spent up to now is 128.8 secs Computing kpt #: 138 total cpu time spent up to now is 129.4 secs Computing kpt #: 139 total cpu time spent up to now is 130.1 secs Computing kpt #: 140 total cpu time spent up to now is 130.7 secs Computing kpt #: 141 total cpu time spent up to now is 131.3 secs Computing kpt #: 142 total cpu time spent up to now is 131.9 secs Computing kpt #: 143 total cpu time spent up to now is 132.6 secs Computing kpt #: 144 total cpu time spent up to now is 133.2 secs Computing kpt #: 145 total cpu time spent up to now is 133.8 secs Computing kpt #: 146 total cpu time spent up to now is 134.5 secs Computing kpt #: 147 total cpu time spent up to now is 135.1 secs Computing kpt #: 148 total cpu time spent up to now is 135.7 secs Computing kpt #: 149 total cpu time spent up to now is 136.3 secs Computing kpt #: 150 total cpu time spent up to now is 137.0 secs Computing kpt #: 151 total cpu time spent up to now is 137.6 secs Computing kpt #: 152 total cpu time spent up to now is 138.2 secs Computing kpt #: 153 total cpu time spent up to now is 138.9 secs Computing kpt #: 154 total cpu time spent up to now is 139.5 secs Computing kpt #: 155 total cpu time spent up to now is 140.1 secs Computing kpt #: 156 total cpu time spent up to now is 140.8 secs Computing kpt #: 157 total cpu time spent up to now is 141.5 secs Computing kpt #: 158 total cpu time spent up to now is 142.1 secs Computing kpt #: 159 total cpu time spent up to now is 142.8 secs Computing kpt #: 160 total cpu time spent up to now is 143.5 secs Computing kpt #: 161 total cpu time spent up to now is 144.2 secs Computing kpt #: 162 total cpu time spent up to now is 144.9 secs Computing kpt #: 163 total cpu time spent up to now is 145.6 secs Computing kpt #: 164 total cpu time spent up to now is 146.3 secs Computing kpt #: 165 total cpu time spent up to now is 147.0 secs Computing kpt #: 166 total cpu time spent up to now is 147.7 secs Computing kpt #: 167 total cpu time spent up to now is 148.4 secs Computing kpt #: 168 total cpu time spent up to now is 149.1 secs Computing kpt #: 169 total cpu time spent up to now is 149.8 secs Computing kpt #: 170 total cpu time spent up to now is 150.5 secs Computing kpt #: 171 total cpu time spent up to now is 151.3 secs Computing kpt #: 172 total cpu time spent up to now is 152.1 secs Computing kpt #: 173 total cpu time spent up to now is 152.9 secs Computing kpt #: 174 total cpu time spent up to now is 153.7 secs Computing kpt #: 175 total cpu time spent up to now is 154.6 secs Computing kpt #: 176 total cpu time spent up to now is 155.4 secs Computing kpt #: 177 total cpu time spent up to now is 156.2 secs Computing kpt #: 178 total cpu time spent up to now is 157.0 secs Computing kpt #: 179 total cpu time spent up to now is 157.9 secs Computing kpt #: 180 total cpu time spent up to now is 158.7 secs Computing kpt #: 181 total cpu time spent up to now is 159.5 secs Computing kpt #: 182 total cpu time spent up to now is 160.3 secs Computing kpt #: 183 total cpu time spent up to now is 161.2 secs Computing kpt #: 184 total cpu time spent up to now is 162.1 secs Computing kpt #: 185 total cpu time spent up to now is 162.9 secs Computing kpt #: 186 total cpu time spent up to now is 163.7 secs Computing kpt #: 187 total cpu time spent up to now is 164.5 secs Computing kpt #: 188 total cpu time spent up to now is 165.4 secs Computing kpt #: 189 total cpu time spent up to now is 166.2 secs Computing kpt #: 190 total cpu time spent up to now is 167.1 secs Computing kpt #: 191 total cpu time spent up to now is 167.9 secs Computing kpt #: 192 total cpu time spent up to now is 168.7 secs Computing kpt #: 193 total cpu time spent up to now is 169.6 secs Computing kpt #: 194 total cpu time spent up to now is 170.5 secs Computing kpt #: 195 total cpu time spent up to now is 171.3 secs Computing kpt #: 196 total cpu time spent up to now is 172.3 secs Computing kpt #: 197 total cpu time spent up to now is 173.2 secs Computing kpt #: 198 total cpu time spent up to now is 174.1 secs Computing kpt #: 199 total cpu time spent up to now is 175.0 secs Computing kpt #: 200 total cpu time spent up to now is 175.9 secs Computing kpt #: 201 total cpu time spent up to now is 176.7 secs Computing kpt #: 202 total cpu time spent up to now is 177.6 secs Computing kpt #: 203 total cpu time spent up to now is 178.5 secs Computing kpt #: 204 total cpu time spent up to now is 179.4 secs Computing kpt #: 205 total cpu time spent up to now is 180.3 secs Computing kpt #: 206 total cpu time spent up to now is 181.1 secs Computing kpt #: 207 total cpu time spent up to now is 181.9 secs Computing kpt #: 208 total cpu time spent up to now is 182.8 secs Computing kpt #: 209 total cpu time spent up to now is 183.7 secs Computing kpt #: 210 total cpu time spent up to now is 184.5 secs Computing kpt #: 211 total cpu time spent up to now is 185.3 secs Computing kpt #: 212 total cpu time spent up to now is 186.1 secs Computing kpt #: 213 total cpu time spent up to now is 187.0 secs Computing kpt #: 214 total cpu time spent up to now is 187.9 secs Computing kpt #: 215 total cpu time spent up to now is 188.7 secs Computing kpt #: 216 total cpu time spent up to now is 189.6 secs Computing kpt #: 217 total cpu time spent up to now is 190.5 secs Computing kpt #: 218 total cpu time spent up to now is 191.4 secs Computing kpt #: 219 total cpu time spent up to now is 192.3 secs Computing kpt #: 220 total cpu time spent up to now is 193.1 secs Computing kpt #: 221 total cpu time spent up to now is 193.9 secs Computing kpt #: 222 total cpu time spent up to now is 194.8 secs Computing kpt #: 223 total cpu time spent up to now is 195.7 secs Computing kpt #: 224 total cpu time spent up to now is 196.5 secs Computing kpt #: 225 total cpu time spent up to now is 197.3 secs Computing kpt #: 226 total cpu time spent up to now is 198.1 secs Computing kpt #: 227 total cpu time spent up to now is 198.8 secs Computing kpt #: 228 total cpu time spent up to now is 199.6 secs Computing kpt #: 229 total cpu time spent up to now is 200.4 secs Computing kpt #: 230 total cpu time spent up to now is 201.1 secs Computing kpt #: 231 total cpu time spent up to now is 201.9 secs Computing kpt #: 232 total cpu time spent up to now is 202.6 secs Computing kpt #: 233 total cpu time spent up to now is 203.3 secs Computing kpt #: 234 total cpu time spent up to now is 204.0 secs Computing kpt #: 235 total cpu time spent up to now is 204.7 secs Computing kpt #: 236 total cpu time spent up to now is 205.4 secs Computing kpt #: 237 total cpu time spent up to now is 206.1 secs Computing kpt #: 238 total cpu time spent up to now is 206.8 secs Computing kpt #: 239 total cpu time spent up to now is 207.5 secs Computing kpt #: 240 total cpu time spent up to now is 208.1 secs Computing kpt #: 241 total cpu time spent up to now is 208.9 secs Computing kpt #: 242 total cpu time spent up to now is 209.5 secs Computing kpt #: 243 total cpu time spent up to now is 210.2 secs Computing kpt #: 244 total cpu time spent up to now is 210.9 secs Computing kpt #: 245 total cpu time spent up to now is 211.5 secs Computing kpt #: 246 total cpu time spent up to now is 212.1 secs Computing kpt #: 247 total cpu time spent up to now is 212.8 secs Computing kpt #: 248 total cpu time spent up to now is 213.4 secs Computing kpt #: 249 total cpu time spent up to now is 214.1 secs Computing kpt #: 250 total cpu time spent up to now is 214.7 secs Computing kpt #: 251 total cpu time spent up to now is 215.3 secs Computing kpt #: 252 total cpu time spent up to now is 215.9 secs Computing kpt #: 253 total cpu time spent up to now is 216.6 secs Computing kpt #: 254 total cpu time spent up to now is 217.2 secs Computing kpt #: 255 total cpu time spent up to now is 218.1 secs Computing kpt #: 256 total cpu time spent up to now is 218.9 secs Computing kpt #: 257 total cpu time spent up to now is 219.7 secs Computing kpt #: 258 total cpu time spent up to now is 220.6 secs Computing kpt #: 259 total cpu time spent up to now is 221.5 secs Computing kpt #: 260 total cpu time spent up to now is 222.3 secs Computing kpt #: 261 total cpu time spent up to now is 223.1 secs Computing kpt #: 262 total cpu time spent up to now is 224.0 secs Computing kpt #: 263 total cpu time spent up to now is 224.9 secs Computing kpt #: 264 total cpu time spent up to now is 225.7 secs Computing kpt #: 265 total cpu time spent up to now is 226.5 secs Computing kpt #: 266 total cpu time spent up to now is 227.3 secs Computing kpt #: 267 total cpu time spent up to now is 228.1 secs Computing kpt #: 268 total cpu time spent up to now is 228.9 secs Computing kpt #: 269 total cpu time spent up to now is 229.7 secs Computing kpt #: 270 total cpu time spent up to now is 230.5 secs Computing kpt #: 271 total cpu time spent up to now is 231.4 secs Computing kpt #: 272 total cpu time spent up to now is 232.3 secs Computing kpt #: 273 total cpu time spent up to now is 233.2 secs Computing kpt #: 274 total cpu time spent up to now is 234.3 secs Computing kpt #: 275 total cpu time spent up to now is 235.2 secs Computing kpt #: 276 total cpu time spent up to now is 236.3 secs Computing kpt #: 277 total cpu time spent up to now is 237.1 secs Computing kpt #: 278 total cpu time spent up to now is 237.9 secs Computing kpt #: 279 total cpu time spent up to now is 238.7 secs Computing kpt #: 280 total cpu time spent up to now is 239.7 secs Computing kpt #: 281 total cpu time spent up to now is 240.5 secs Computing kpt #: 282 total cpu time spent up to now is 241.4 secs Computing kpt #: 283 total cpu time spent up to now is 242.3 secs Computing kpt #: 284 total cpu time spent up to now is 243.2 secs Computing kpt #: 285 total cpu time spent up to now is 244.1 secs Computing kpt #: 286 total cpu time spent up to now is 245.1 secs Computing kpt #: 287 total cpu time spent up to now is 246.0 secs Computing kpt #: 288 total cpu time spent up to now is 247.0 secs Computing kpt #: 289 total cpu time spent up to now is 247.9 secs Computing kpt #: 290 total cpu time spent up to now is 248.9 secs Computing kpt #: 291 total cpu time spent up to now is 249.8 secs Computing kpt #: 292 total cpu time spent up to now is 250.7 secs Computing kpt #: 293 total cpu time spent up to now is 252.0 secs Computing kpt #: 294 total cpu time spent up to now is 252.9 secs Computing kpt #: 295 total cpu time spent up to now is 253.7 secs Computing kpt #: 296 total cpu time spent up to now is 254.6 secs Computing kpt #: 297 total cpu time spent up to now is 255.4 secs Computing kpt #: 298 total cpu time spent up to now is 256.1 secs Computing kpt #: 299 total cpu time spent up to now is 256.8 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 259.8 secs Computing kpt #: 304 total cpu time spent up to now is 260.5 secs Computing kpt #: 305 total cpu time spent up to now is 261.2 secs Computing kpt #: 306 total cpu time spent up to now is 261.9 secs Computing kpt #: 307 total cpu time spent up to now is 262.6 secs Computing kpt #: 308 total cpu time spent up to now is 263.4 secs Computing kpt #: 309 total cpu time spent up to now is 264.1 secs Computing kpt #: 310 total cpu time spent up to now is 264.8 secs Computing kpt #: 311 total cpu time spent up to now is 265.5 secs Computing kpt #: 312 total cpu time spent up to now is 266.3 secs Computing kpt #: 313 total cpu time spent up to now is 267.0 secs Computing kpt #: 314 total cpu time spent up to now is 267.7 secs Computing kpt #: 315 total cpu time spent up to now is 268.4 secs Computing kpt #: 316 total cpu time spent up to now is 269.1 secs Computing kpt #: 317 total cpu time spent up to now is 269.8 secs Computing kpt #: 318 total cpu time spent up to now is 270.5 secs Computing kpt #: 319 total cpu time spent up to now is 271.2 secs Computing kpt #: 320 total cpu time spent up to now is 272.0 secs Computing kpt #: 321 total cpu time spent up to now is 272.7 secs Computing kpt #: 322 total cpu time spent up to now is 273.5 secs Computing kpt #: 323 total cpu time spent up to now is 274.2 secs Computing kpt #: 324 total cpu time spent up to now is 275.0 secs Computing kpt #: 325 total cpu time spent up to now is 275.8 secs Computing kpt #: 326 total cpu time spent up to now is 276.6 secs Computing kpt #: 327 total cpu time spent up to now is 277.4 secs Computing kpt #: 328 total cpu time spent up to now is 278.3 secs Computing kpt #: 329 total cpu time spent up to now is 279.1 secs Computing kpt #: 330 total cpu time spent up to now is 279.9 secs ethr = 1.79E-08, avg # of iterations = 19.3 total cpu time spent up to now is 279.9 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3017 PWs) bands (ev): -1.1491 -1.1491 0.8902 0.8902 5.7932 5.7932 6.7113 6.7113 6.7366 6.7366 6.8208 6.8208 6.8431 6.8431 7.2714 7.2714 7.8369 7.8369 9.2458 9.2458 9.2525 9.2525 9.2681 9.2681 9.4310 9.4310 9.8229 9.8229 9.8261 9.8261 10.4369 10.4369 10.5650 10.5650 10.5958 10.5958 10.6607 10.6607 10.7057 10.7057 10.7355 10.7355 10.8531 10.8531 10.9607 10.9607 11.0163 11.0163 11.3684 11.3684 11.3974 11.3974 11.8717 11.8717 11.9867 11.9867 12.0441 12.0441 12.0933 12.0933 12.1380 12.1380 12.1856 12.1856 13.1383 13.1383 13.1724 13.1724 k = 0.0128 0.0074-0.0000 ( 3021 PWs) bands (ev): -1.1483 -1.1482 0.8894 0.8897 5.7939 5.7942 6.7006 6.7006 6.7218 6.7223 6.8330 6.8331 6.8512 6.8515 7.2753 7.2755 7.8362 7.8373 9.2453 9.2458 9.2523 9.2525 9.2680 9.2680 9.4302 9.4312 9.8227 9.8227 9.8256 9.8264 10.4348 10.4359 10.5620 10.5621 10.5967 10.5984 10.6608 10.6635 10.7030 10.7032 10.7365 10.7365 10.8532 10.8541 10.9593 10.9600 11.0152 11.0152 11.3702 11.3707 11.3994 11.3994 11.8686 11.8737 11.9849 11.9859 12.0405 12.0408 12.0956 12.0984 12.1396 12.1397 12.1855 12.1861 13.1370 13.1380 13.1716 13.1718 k = 0.0256 0.0148-0.0000 ( 3025 PWs) bands (ev): -1.1459 -1.1456 0.8874 0.8880 5.7965 5.7970 6.6725 6.6727 6.6920 6.6928 6.8574 6.8576 6.8705 6.8712 7.2873 7.2876 7.8352 7.8372 9.2442 9.2449 9.2523 9.2526 9.2678 9.2680 9.4288 9.4309 9.8217 9.8223 9.8252 9.8265 10.4297 10.4316 10.5548 10.5552 10.6003 10.6031 10.6642 10.6693 10.6953 10.6960 10.7390 10.7393 10.8544 10.8561 10.9558 10.9574 11.0121 11.0123 11.3757 11.3770 11.4054 11.4059 11.8645 11.8746 11.9808 11.9828 12.0319 12.0334 12.1040 12.1082 12.1442 12.1448 12.1858 12.1871 13.1331 13.1360 13.1695 13.1710 k = 0.0385 0.0222-0.0000 ( 3025 PWs) bands (ev): -1.1419 -1.1414 0.8841 0.8850 5.8010 5.8018 6.6335 6.6338 6.6591 6.6602 6.8822 6.8823 6.8951 6.8964 7.3067 7.3072 7.8338 7.8369 9.2421 9.2426 9.2528 9.2530 9.2676 9.2683 9.4269 9.4301 9.8198 9.8214 9.8253 9.8264 10.4216 10.4244 10.5452 10.5460 10.6051 10.6084 10.6703 10.6775 10.6831 10.6846 10.7428 10.7433 10.8565 10.8590 10.9506 10.9533 11.0072 11.0078 11.3839 11.3863 11.4158 11.4173 11.8595 11.8743 11.9749 11.9778 12.0214 12.0246 12.1152 12.1195 12.1510 12.1528 12.1868 12.1886 13.1253 13.1313 13.1678 13.1718 k = 0.0513 0.0296-0.0000 ( 3039 PWs) bands (ev): -1.1362 -1.1357 0.8796 0.8807 5.8073 5.8084 6.5885 6.5890 6.6252 6.6266 6.9026 6.9027 6.9232 6.9252 7.3327 7.3334 7.8320 7.8361 9.2383 9.2385 9.2537 9.2537 9.2676 9.2688 9.4244 9.4287 9.8170 9.8199 9.8257 9.8264 10.4108 10.4142 10.5344 10.5354 10.6104 10.6141 10.6668 10.6680 10.6796 10.6875 10.7475 10.7482 10.8595 10.8628 10.9436 10.9477 11.0008 11.0022 11.3936 11.3971 11.4312 11.4340 11.8537 11.8725 11.9676 11.9712 12.0108 12.0158 12.1272 12.1310 12.1593 12.1631 12.1885 12.1905 13.1131 13.1224 13.1679 13.1750 k = 0.0641 0.0370-0.0000 ( 3039 PWs) bands (ev): -1.1289 -1.1282 0.8738 0.8752 5.8154 5.8167 6.5404 6.5409 6.5904 6.5922 6.9190 6.9190 6.9530 6.9554 7.3646 7.3654 7.8299 7.8350 9.2329 9.2334 9.2548 9.2551 9.2678 9.2697 9.4215 9.4269 9.8137 9.8179 9.8264 9.8268 10.3976 10.4014 10.5228 10.5239 10.6155 10.6197 10.6477 10.6494 10.6893 10.6987 10.7531 10.7537 10.8633 10.8672 10.9353 10.9413 10.9934 10.9962 11.4044 11.4088 11.4513 11.4554 11.8472 11.8694 11.9590 11.9634 12.0017 12.0081 12.1393 12.1423 12.1683 12.1748 12.1917 12.1931 13.0973 13.1093 13.1706 13.1803 k = 0.0769 0.0444-0.0000 ( 3037 PWs) bands (ev): -1.1200 -1.1192 0.8668 0.8685 5.8252 5.8268 6.4904 6.4910 6.5551 6.5573 6.9321 6.9322 6.9831 6.9860 7.4011 7.4020 7.8274 7.8335 9.2258 9.2269 9.2560 9.2566 9.2682 9.2708 9.4182 9.4248 9.8100 9.8153 9.8275 9.8276 10.3822 10.3863 10.5107 10.5119 10.6130 10.6184 10.6338 10.6346 10.7004 10.7107 10.7595 10.7598 10.8677 10.8722 10.9259 10.9344 10.9854 10.9903 11.4165 11.4213 11.4753 11.4808 11.8404 11.8649 11.9489 11.9542 11.9950 12.0019 12.1511 12.1534 12.1763 12.1862 12.1972 12.1973 13.0786 13.0927 13.1755 13.1875 k = 0.0897 0.0518-0.0000 ( 3045 PWs) bands (ev): -1.1095 -1.1085 0.8586 0.8606 5.8366 5.8386 6.4392 6.4398 6.5195 6.5221 6.9427 6.9428 7.0130 7.0164 7.4411 7.4420 7.8247 7.8317 9.2173 9.2190 9.2569 9.2580 9.2686 9.2719 9.4147 9.4224 9.8057 9.8122 9.8288 9.8290 10.3648 10.3690 10.4983 10.4994 10.5906 10.5955 10.6375 10.6389 10.7121 10.7232 10.7663 10.7663 10.8726 10.8773 10.9156 10.9272 10.9773 10.9851 11.4294 11.4344 11.5022 11.5093 11.8334 11.8592 11.9369 11.9437 11.9913 11.9979 12.1622 12.1640 12.1823 12.1940 12.2053 12.2054 13.0577 13.0734 13.1821 13.1962 k = 0.1026 0.0592-0.0000 ( 3045 PWs) bands (ev): -1.0975 -1.0963 0.8491 0.8514 5.8496 5.8520 6.3872 6.3878 6.4838 6.4869 6.9513 6.9514 7.0427 7.0466 7.4838 7.4848 7.8216 7.8296 9.2078 9.2100 9.2574 9.2592 9.2690 9.2727 9.4113 9.4201 9.8010 9.8086 9.8306 9.8310 10.3458 10.3499 10.4856 10.4866 10.5616 10.5664 10.6464 10.6475 10.7243 10.7359 10.7730 10.7734 10.8778 10.8821 10.9052 10.9199 10.9698 10.9810 11.4434 11.4481 11.5313 11.5403 11.8266 11.8528 11.9236 11.9320 11.9905 11.9959 12.1725 12.1746 12.1872 12.1988 12.2154 12.2164 13.0350 13.0521 13.1903 13.2063 k = 0.1154 0.0666-0.0000 ( 3049 PWs) bands (ev): -1.0839 -1.0826 0.8385 0.8410 5.8640 5.8668 6.3348 6.3354 6.4483 6.4519 6.9584 6.9586 7.0719 7.0764 7.5283 7.5294 7.8183 7.8272 9.1972 9.1999 9.2572 9.2597 9.2693 9.2731 9.4083 9.4181 9.7960 9.8046 9.8329 9.8335 10.3252 10.3291 10.4724 10.4735 10.5297 10.5344 10.6569 10.6575 10.7364 10.7484 10.7798 10.7806 10.8829 10.8847 10.8968 10.9130 10.9634 10.9784 11.4582 11.4622 11.5618 11.5731 11.8203 11.8461 11.9092 11.9196 11.9919 11.9957 12.1812 12.1847 12.1927 12.2034 12.2257 12.2274 13.0111 13.0291 13.1997 13.2176 k = 0.1282 0.0740-0.0000 ( 3051 PWs) bands (ev): -1.0688 -1.0674 0.8266 0.8294 5.8796 5.8829 6.2823 6.2829 6.4131 6.4173 6.9644 6.9646 7.1008 7.1057 7.5741 7.5753 7.8146 7.8245 9.1858 9.1888 9.2557 9.2593 9.2694 9.2729 9.4060 9.4166 9.7908 9.8003 9.8359 9.8367 10.3033 10.3070 10.4587 10.4600 10.4961 10.5004 10.6685 10.6686 10.7482 10.7601 10.7862 10.7876 10.8796 10.8870 10.8963 10.9068 10.9589 10.9776 11.4736 11.4767 11.5930 11.6072 11.8150 11.8394 11.8943 11.9071 11.9952 11.9970 12.1874 12.1942 12.2006 12.2091 12.2353 12.2373 12.9861 13.0049 13.2101 13.2298 k = 0.1410 0.0814-0.0000 ( 3039 PWs) bands (ev): -1.0522 -1.0506 0.8136 0.8166 5.8963 5.9002 6.2299 6.2305 6.3787 6.3835 6.9696 6.9698 7.1291 7.1346 7.6208 7.6220 7.8108 7.8215 9.1736 9.1770 9.2529 9.2574 9.2693 9.2722 9.4048 9.4159 9.7855 9.7958 9.8397 9.8407 10.2804 10.2838 10.4427 10.4460 10.4629 10.4651 10.6804 10.6815 10.7589 10.7706 10.7915 10.7943 10.8721 10.8889 10.8995 10.9026 10.9576 10.9790 11.4895 11.4913 11.6240 11.6420 11.8108 11.8331 11.8794 11.8950 11.9997 12.0002 12.1919 12.2021 12.2105 12.2172 12.2441 12.2459 12.9604 12.9798 13.2215 13.2428 k = 0.1538 0.0888-0.0000 ( 3043 PWs) bands (ev): -1.0341 -1.0325 0.7994 0.8026 5.9135 5.9181 6.1778 6.1784 6.3453 6.3508 6.9742 6.9744 7.1569 7.1630 7.6677 7.6690 7.8065 7.8181 9.1607 9.1643 9.2482 9.2535 9.2688 9.2710 9.4051 9.4164 9.7799 9.7910 9.8441 9.8452 10.2564 10.2594 10.4161 10.4244 10.4359 10.4390 10.6929 10.6953 10.7679 10.7793 10.7940 10.8008 10.8677 10.8882 10.9006 10.9025 10.9602 10.9829 11.5057 11.5060 11.6534 11.6765 11.8077 11.8270 11.8652 11.8841 12.0034 12.0061 12.1955 12.2082 12.2214 12.2276 12.2514 12.2529 12.9339 12.9537 13.2334 13.2563 k = 0.1667 0.0962-0.0000 ( 3047 PWs) bands (ev): -1.0147 -1.0129 0.7840 0.7874 5.9310 5.9364 6.1261 6.1267 6.3134 6.3199 6.9783 6.9786 7.1840 7.1908 7.7147 7.7161 7.8022 7.8146 9.1472 9.1510 9.2416 9.2472 9.2679 9.2696 9.4069 9.4181 9.7743 9.7860 9.8492 9.8505 10.2316 10.2342 10.3799 10.3877 10.4206 10.4235 10.7057 10.7099 10.7743 10.7856 10.7927 10.8070 10.8689 10.8870 10.8992 10.9048 10.9672 10.9895 11.5204 11.5220 11.6798 11.7092 11.8061 11.8213 11.8534 11.8761 12.0080 12.0130 12.1991 12.2134 12.2328 12.2399 12.2576 12.2582 12.9070 12.9269 13.2457 13.2699 k = 0.1795 0.1036-0.0000 ( 3047 PWs) bands (ev): -0.9940 -0.9920 0.7675 0.7711 5.9479 5.9543 6.0750 6.0756 6.2839 6.2913 6.9821 6.9824 7.2107 7.2181 7.7605 7.7626 7.7985 7.8112 9.1333 9.1373 9.2331 9.2387 9.2664 9.2678 9.4103 9.4210 9.7687 9.7809 9.8550 9.8563 10.2062 10.2084 10.3415 10.3491 10.4066 10.4096 10.7180 10.7250 10.7782 10.7839 10.7936 10.8130 10.8753 10.8878 10.8974 10.9066 10.9782 10.9989 11.5346 11.5384 11.7007 11.7368 11.8060 11.8160 11.8468 11.8729 12.0134 12.0208 12.2025 12.2182 12.2439 12.2528 12.2629 12.2634 12.8793 12.8993 13.2580 13.2835 k = 0.1923 0.1110-0.0000 ( 3041 PWs) bands (ev): -0.9719 -0.9698 0.7498 0.7537 5.9630 5.9706 6.0249 6.0255 6.2578 6.2664 6.9857 6.9860 7.2367 7.2448 7.7870 7.7989 7.8137 7.8175 9.1191 9.1231 9.2229 9.2280 9.2644 9.2657 9.4152 9.4253 9.7631 9.7756 9.8615 9.8629 10.1803 10.1820 10.3023 10.3099 10.3928 10.3961 10.7285 10.7396 10.7762 10.7810 10.7974 10.8181 10.8849 10.8906 10.8961 10.9082 10.9926 11.0110 11.5485 11.5547 11.7137 11.7528 11.8071 11.8132 11.8496 11.8767 12.0194 12.0292 12.2059 12.2228 12.2520 12.2598 12.2720 12.2736 12.8515 12.8712 13.2701 13.2966 k = 0.2051 0.1184-0.0000 ( 3039 PWs) bands (ev): -0.9486 -0.9464 0.7311 0.7352 5.9719 5.9743 5.9793 5.9852 6.2367 6.2465 6.9891 6.9894 7.2620 7.2708 7.7837 7.7989 7.8578 7.8592 9.1045 9.1086 9.2110 9.2155 9.2618 9.2630 9.4212 9.4306 9.7574 9.7702 9.8686 9.8699 10.1540 10.1552 10.2629 10.2706 10.3790 10.3827 10.7347 10.7481 10.7729 10.7859 10.8006 10.8218 10.8911 10.8946 10.9003 10.9113 11.0099 11.0258 11.5619 11.5707 11.7176 11.7524 11.8096 11.8139 11.8648 11.8880 12.0259 12.0381 12.2090 12.2269 12.2551 12.2605 12.2859 12.2910 12.8233 12.8426 13.2814 13.3088 k = 0.2179 0.1258-0.0000 ( 3039 PWs) bands (ev): -0.9241 -0.9217 0.7114 0.7155 5.9268 5.9273 5.9827 5.9922 6.2230 6.2337 6.9923 6.9926 7.2866 7.2962 7.7779 7.7941 7.9034 7.9048 9.0898 9.0939 9.1978 9.2016 9.2587 9.2599 9.4282 9.4367 9.7517 9.7645 9.8762 9.8774 10.1275 10.1282 10.2236 10.2314 10.3653 10.3695 10.7348 10.7426 10.7824 10.7952 10.8041 10.8240 10.8894 10.9002 10.9096 10.9192 11.0295 11.0432 11.5746 11.5862 11.7136 11.7416 11.8137 11.8159 11.8883 11.9048 12.0327 12.0473 12.2116 12.2302 12.2549 12.2595 12.3038 12.3115 12.7947 12.8132 13.2909 13.3196 k = 0.2308 0.1332-0.0000 ( 3035 PWs) bands (ev): -0.8985 -0.8960 0.6906 0.6949 5.8797 5.8802 5.9828 5.9926 6.2188 6.2297 6.9955 6.9958 7.3104 7.3209 7.7714 7.7886 7.9487 7.9501 9.0749 9.0790 9.1834 9.1864 9.2551 9.2564 9.4360 9.4435 9.7459 9.7585 9.8843 9.8853 10.1009 10.1012 10.1848 10.1928 10.3517 10.3563 10.7301 10.7316 10.7928 10.8077 10.8116 10.8253 10.8880 10.9015 10.9213 10.9317 11.0513 11.0629 11.5867 11.6009 11.7040 11.7266 11.8185 11.8195 11.9140 11.9242 12.0397 12.0568 12.2133 12.2316 12.2534 12.2586 12.3252 12.3347 12.7660 12.7836 13.2848 13.3081 k = 0.2436 0.1406-0.0000 ( 3033 PWs) bands (ev): -0.8718 -0.8692 0.6688 0.6733 5.8339 5.8343 5.9758 5.9850 6.2245 6.2349 6.9986 6.9989 7.3334 7.3448 7.7644 7.7825 7.9933 7.9948 9.0600 9.0640 9.1681 9.1704 9.2511 9.2526 9.4442 9.4507 9.7400 9.7522 9.8927 9.8934 10.0743 10.0744 10.1466 10.1549 10.3382 10.3433 10.7195 10.7227 10.7961 10.8174 10.8270 10.8300 10.8874 10.9014 10.9345 10.9459 11.0750 11.0848 11.5979 11.6144 11.6910 11.7098 11.8222 11.8270 11.9386 11.9436 12.0468 12.0663 12.2133 12.2299 12.2521 12.2595 12.3493 12.3603 12.7378 12.7540 13.2471 13.2761 k = 0.2564 0.1480-0.0000 ( 3033 PWs) bands (ev): -0.8442 -0.8415 0.6461 0.6507 5.7894 5.7898 5.9624 5.9707 6.2390 6.2483 7.0016 7.0019 7.3554 7.3678 7.7568 7.7760 8.0373 8.0388 9.0452 9.0490 9.1521 9.1536 9.2468 9.2485 9.4528 9.4583 9.7338 9.7455 9.9015 9.9016 10.0478 10.0480 10.1093 10.1181 10.3248 10.3304 10.7075 10.7138 10.7960 10.8180 10.8427 10.8458 10.8885 10.9008 10.9488 10.9608 11.1005 11.1088 11.6082 11.6261 11.6757 11.6927 11.8271 11.8357 11.9607 11.9617 12.0535 12.0754 12.2109 12.2247 12.2519 12.2626 12.3758 12.3874 12.7107 12.7250 13.2089 13.2365 k = 0.2692 0.1554-0.0000 ( 3037 PWs) bands (ev): -0.8157 -0.8129 0.6225 0.6272 5.7465 5.7468 5.9446 5.9517 6.2598 6.2679 7.0046 7.0049 7.3764 7.3899 7.7489 7.7690 8.0803 8.0818 9.0304 9.0340 9.1354 9.1363 9.2423 9.2442 9.4614 9.4658 9.7273 9.7382 9.9094 9.9103 10.0218 10.0220 10.0735 10.0829 10.3116 10.3176 10.6958 10.7044 10.7946 10.8157 10.8549 10.8651 10.8937 10.9007 10.9640 10.9761 11.1275 11.1346 11.6174 11.6346 11.6592 11.6770 11.8332 11.8456 11.9775 11.9795 12.0595 12.0835 12.2064 12.2172 12.2535 12.2673 12.4029 12.4142 12.6866 12.6983 13.1734 13.1997 k = 0.2821 0.1628-0.0000 ( 3039 PWs) bands (ev): -0.7864 -0.7835 0.5981 0.6029 5.7051 5.7055 5.9242 5.9302 6.2851 6.2921 7.0075 7.0078 7.3962 7.4109 7.7405 7.7617 8.1225 8.1240 9.0159 9.0192 9.1185 9.1186 9.2378 9.2399 9.4699 9.4733 9.7205 9.7304 9.9163 9.9190 9.9965 9.9967 10.0396 10.0499 10.2986 10.3051 10.6846 10.6948 10.7924 10.8124 10.8620 10.8812 10.9044 10.9053 10.9798 10.9917 11.1560 11.1620 11.6247 11.6349 11.6425 11.6675 11.8404 11.8563 11.9908 11.9950 12.0644 12.0898 12.2011 12.2091 12.2566 12.2730 12.4276 12.4370 12.6690 12.6768 13.1408 13.1658 k = 0.2949 0.1702-0.0000 ( 3035 PWs) bands (ev): -0.7564 -0.7534 0.5730 0.5778 5.6655 5.6659 5.9024 5.9076 6.3134 6.3194 7.0104 7.0106 7.4148 7.4306 7.7319 7.7542 8.1637 8.1653 9.0016 9.0047 9.1008 9.1013 9.2333 9.2356 9.4781 9.4804 9.7132 9.7219 9.9210 9.9268 9.9716 9.9729 10.0084 10.0204 10.2859 10.2928 10.6742 10.6854 10.7898 10.8086 10.8643 10.8868 10.9191 10.9226 10.9963 11.0077 11.1861 11.1913 11.6203 11.6232 11.6358 11.6681 11.8486 11.8675 12.0015 12.0073 12.0674 12.0933 12.1968 12.2014 12.2608 12.2792 12.4442 12.4496 12.6636 12.6659 13.1112 13.1348 k = 0.3077 0.1776-0.0000 ( 3035 PWs) bands (ev): -0.7259 -0.7228 0.5472 0.5521 5.6278 5.6281 5.8802 5.8846 6.3436 6.3488 7.0132 7.0134 7.4318 7.4489 7.7231 7.7466 8.2040 8.2056 8.9877 8.9904 9.0829 9.0840 9.2291 9.2316 9.4857 9.4869 9.7053 9.7127 9.9202 9.9309 9.9481 9.9508 9.9825 9.9975 10.2734 10.2807 10.6644 10.6762 10.7868 10.8044 10.8644 10.8862 10.9403 10.9428 11.0133 11.0240 11.2172 11.2216 11.6029 11.6061 11.6405 11.6721 11.8575 11.8789 12.0099 12.0167 12.0678 12.0928 12.1952 12.1955 12.2658 12.2859 12.4464 12.4469 12.6713 12.6752 13.0845 13.1068 k = 0.3205 0.1850-0.0000 ( 3037 PWs) bands (ev): -0.6949 -0.6918 0.5209 0.5258 5.5920 5.5923 5.8582 5.8620 6.3751 6.3796 7.0159 7.0161 7.4471 7.4655 7.7145 7.7390 8.2432 8.2448 8.9741 8.9764 9.0650 9.0666 9.2252 9.2279 9.4927 9.4928 9.6968 9.7027 9.9104 9.9189 9.9297 9.9313 9.9691 9.9859 10.2613 10.2689 10.6554 10.6675 10.7836 10.8000 10.8634 10.8840 10.9636 10.9646 11.0309 11.0407 11.2493 11.2531 11.5842 11.5873 11.6448 11.6755 11.8667 11.8901 12.0160 12.0236 12.0651 12.0879 12.1923 12.1973 12.2710 12.2928 12.4296 12.4326 12.6944 12.7025 13.0606 13.0816 k = 0.3333 0.1925-0.0000 ( 3043 PWs) bands (ev): -0.6637 -0.6605 0.4941 0.4990 5.5582 5.5584 5.8368 5.8400 6.4073 6.4112 7.0185 7.0187 7.4604 7.4800 7.7061 7.7316 8.2813 8.2829 8.9608 8.9627 9.0472 9.0494 9.2217 9.2245 9.4977 9.4987 9.6875 9.6920 9.8942 9.8961 9.9078 9.9138 9.9707 9.9851 10.2495 10.2573 10.6472 10.6593 10.7803 10.7956 10.8619 10.8811 10.9874 10.9877 11.0490 11.0578 11.2822 11.2854 11.5654 11.5682 11.6475 11.6772 11.8760 11.9007 12.0200 12.0282 12.0593 12.0796 12.1924 12.2025 12.2766 12.2999 12.4025 12.4073 12.7301 12.7402 13.0398 13.0597 k = 0.3462 0.1999-0.0000 ( 3055 PWs) bands (ev): -0.6324 -0.6291 0.4671 0.4719 5.5265 5.5267 5.8162 5.8190 6.4397 6.4432 7.0210 7.0211 7.4715 7.4921 7.6986 7.7248 8.3182 8.3198 8.9478 8.9492 9.0297 9.0324 9.2186 9.2217 9.5016 9.5037 9.6774 9.6804 9.8733 9.8764 9.8859 9.8947 9.9778 9.9898 10.2379 10.2459 10.6397 10.6516 10.7770 10.7911 10.8601 10.8780 11.0107 11.0125 11.0678 11.0753 11.3157 11.3183 11.5466 11.5490 11.6483 11.6766 11.8848 11.9102 12.0225 12.0310 12.0513 12.0693 12.1954 12.2101 12.2820 12.3072 12.3696 12.3755 12.7730 12.7834 13.0221 13.0411 k = 0.3590 0.2073-0.0000 ( 3055 PWs) bands (ev): -0.6011 -0.5979 0.4399 0.4447 5.4970 5.4972 5.7968 5.7992 6.4721 6.4750 7.0234 7.0235 7.4802 7.5014 7.6924 7.7189 8.3539 8.3555 8.9352 8.9362 9.0127 9.0158 9.2162 9.2193 9.5044 9.5075 9.6668 9.6684 9.8521 9.8591 9.8655 9.8768 9.9862 9.9966 10.2267 10.2349 10.6332 10.6446 10.7737 10.7867 10.8585 10.8749 11.0344 11.0377 11.0872 11.0933 11.3494 11.3513 11.5289 11.5305 11.6470 11.6736 11.8926 11.9180 12.0231 12.0321 12.0428 12.0590 12.2006 12.2187 12.2857 12.3140 12.3343 12.3421 12.8189 12.8285 13.0081 13.0267 k = 0.3718 0.2147-0.0000 ( 3057 PWs) bands (ev): -0.5702 -0.5670 0.4129 0.4175 5.4698 5.4700 5.7787 5.7808 6.5038 6.5064 7.0257 7.0258 7.4862 7.5073 7.6878 7.7139 8.3884 8.3899 8.9228 8.9233 8.9962 8.9996 9.2143 9.2175 9.5060 9.5099 9.6555 9.6559 9.8331 9.8427 9.8477 9.8606 9.9951 10.0045 10.2160 10.2243 10.6274 10.6381 10.7705 10.7824 10.8567 10.8716 11.0582 11.0630 11.1073 11.1118 11.3821 11.3828 11.5134 11.5139 11.6433 11.6679 11.8991 11.9236 12.0221 12.0316 12.0353 12.0498 12.2073 12.2278 12.2789 12.2951 12.3175 12.3231 12.8640 12.8716 12.9994 13.0182 k = 0.3846 0.2221-0.0000 ( 3059 PWs) bands (ev): -0.5399 -0.5367 0.3862 0.3907 5.4450 5.4451 5.7620 5.7638 6.5347 6.5369 7.0278 7.0279 7.4895 7.5099 7.6853 7.7103 8.4215 8.4230 8.9103 8.9104 8.9805 8.9842 9.2130 9.2162 9.5064 9.5109 9.6433 9.6438 9.8166 9.8275 9.8328 9.8460 10.0041 10.0127 10.2057 10.2141 10.6224 10.6323 10.7676 10.7783 10.8549 10.8684 11.0819 11.0884 11.1282 11.1309 11.4092 11.4106 11.5023 11.5039 11.6371 11.6594 11.9038 11.9264 12.0195 12.0298 12.0300 12.0424 12.2141 12.2358 12.2507 12.2580 12.3145 12.3300 12.9017 12.9064 13.0011 13.0206 k = 0.3974 0.2295-0.0000 ( 3063 PWs) bands (ev): -0.5105 -0.5074 0.3602 0.3644 5.4226 5.4227 5.7469 5.7484 6.5642 6.5661 7.0297 7.0298 7.4903 7.5092 7.6849 7.7080 8.4533 8.4546 8.8976 8.8980 8.9658 8.9696 9.2122 9.2153 9.5056 9.5106 9.6306 9.6318 9.8029 9.8139 9.8204 9.8331 10.0128 10.0209 10.1960 10.2042 10.6181 10.6271 10.7648 10.7744 10.8532 10.8653 11.1051 11.1134 11.1500 11.1508 11.4214 11.4253 11.5048 11.5089 11.6282 11.6480 11.9067 11.9265 12.0155 12.0267 12.0272 12.0372 12.2113 12.2118 12.2310 12.2462 12.3199 12.3371 12.9219 12.9253 13.0217 13.0403 k = 0.4103 0.2369-0.0000 ( 3055 PWs) bands (ev): -0.4824 -0.4794 0.3352 0.3392 5.4027 5.4028 5.7334 5.7347 6.5920 6.5936 7.0315 7.0315 7.4888 7.5056 7.6863 7.7068 8.4834 8.4847 8.8848 8.8855 8.9525 8.9564 9.2120 9.2150 9.5040 9.5091 9.6185 9.6202 9.7918 9.8025 9.8101 9.8220 10.0215 10.0290 10.1868 10.1948 10.6146 10.6226 10.7625 10.7710 10.8518 10.8624 11.1278 11.1377 11.1716 11.1727 11.4165 11.4210 11.5267 11.5314 11.6173 11.6344 11.9081 11.9245 12.0093 12.0218 12.0266 12.0341 12.1748 12.1796 12.2345 12.2536 12.3270 12.3439 12.9260 12.9297 13.0586 13.0742 k = 0.4231 0.2443-0.0000 ( 3054 PWs) bands (ev): -0.4561 -0.4533 0.3116 0.3153 5.3853 5.3854 5.7215 5.7226 6.6175 6.6188 7.0331 7.0331 7.4856 7.5000 7.6890 7.7066 8.5117 8.5129 8.8718 8.8727 8.9408 8.9445 9.2123 9.2151 9.5017 9.5066 9.6070 9.6090 9.7832 9.7931 9.8017 9.8122 10.0297 10.0367 10.1783 10.1859 10.6116 10.6186 10.7604 10.7677 10.8506 10.8596 11.1499 11.1610 11.1930 11.1959 11.4028 11.4068 11.5577 11.5611 11.6061 11.6196 11.9082 11.9212 11.9997 12.0133 12.0277 12.0330 12.1403 12.1468 12.2419 12.2600 12.3345 12.3501 12.9239 12.9277 13.1003 13.1127 k = 0.4359 0.2517-0.0000 ( 3050 PWs) bands (ev): -0.4320 -0.4295 0.2901 0.2934 5.3705 5.3706 5.7114 5.7123 6.6403 6.6413 7.0344 7.0344 7.4814 7.4933 7.6925 7.7070 8.5379 8.5389 8.8588 8.8597 8.9311 8.9344 9.2131 9.2156 9.4991 9.5036 9.5968 9.5987 9.7769 9.7855 9.7950 9.8040 10.0374 10.0438 10.1705 10.1776 10.6093 10.6152 10.7586 10.7648 10.8496 10.8571 11.1713 11.1833 11.2147 11.2191 11.3859 11.3894 11.5763 11.5826 11.6114 11.6130 11.9076 11.9175 11.9849 11.9991 12.0298 12.0335 12.1111 12.1187 12.2492 12.2653 12.3420 12.3557 12.9203 12.9238 13.1398 13.1483 k = 0.4487 0.2591-0.0000 ( 3054 PWs) bands (ev): -0.4109 -0.4087 0.2712 0.2740 5.3584 5.3584 5.7031 5.7038 6.6599 6.6607 7.0355 7.0355 7.4768 7.4862 7.6961 7.7076 8.5614 8.5623 8.8460 8.8468 8.9232 8.9260 9.2139 9.2160 9.4965 9.5003 9.5878 9.5895 9.7724 9.7795 9.7898 9.7972 10.0444 10.0500 10.1637 10.1700 10.6075 10.6122 10.7573 10.7622 10.8489 10.8549 11.1921 11.2047 11.2356 11.2417 11.3681 11.3707 11.5650 11.5747 11.6396 11.6436 11.9064 11.9137 11.9642 11.9775 12.0323 12.0347 12.0903 12.0975 12.2559 12.2694 12.3490 12.3603 12.9168 12.9197 13.1686 13.1713 k = 0.4615 0.2665-0.0000 ( 3054 PWs) bands (ev): -0.3933 -0.3916 0.2556 0.2578 5.3489 5.3489 5.6966 5.6971 6.6757 6.6763 7.0364 7.0364 7.4727 7.4795 7.6997 7.7082 8.5817 8.5824 8.8341 8.8348 8.9173 8.9195 9.2148 9.2165 9.4942 9.4972 9.5806 9.5820 9.7694 9.7749 9.7861 9.7917 10.0506 10.0553 10.1582 10.1634 10.6063 10.6099 10.7563 10.7600 10.8485 10.8530 11.2123 11.2253 11.2542 11.2625 11.3505 11.3517 11.5503 11.5582 11.6757 11.6802 11.9044 11.9090 11.9389 11.9499 12.0345 12.0361 12.0774 12.0831 12.2617 12.2721 12.3552 12.3638 12.9139 12.9162 13.1751 13.1755 k = 0.4744 0.2739-0.0000 ( 3050 PWs) bands (ev): -0.3800 -0.3788 0.2439 0.2455 5.3421 5.3421 5.6920 5.6923 6.6875 6.6878 7.0370 7.0371 7.4695 7.4740 7.7028 7.7085 8.5977 8.5982 8.8242 8.8247 8.9133 8.9148 9.2157 9.2168 9.4926 9.4946 9.5753 9.5763 9.7678 9.7715 9.7839 9.7876 10.0558 10.0592 10.1542 10.1580 10.6057 10.6081 10.7558 10.7583 10.8484 10.8514 11.2315 11.2451 11.2677 11.2797 11.3334 11.3345 11.5374 11.5430 11.7113 11.7157 11.8972 11.8981 11.9190 11.9238 12.0362 12.0373 12.0705 12.0743 12.2665 12.2736 12.3602 12.3661 12.9119 12.9134 13.1728 13.1730 k = 0.4872 0.2813-0.0000 ( 3052 PWs) bands (ev): -0.3716 -0.3710 0.2368 0.2376 5.3380 5.3381 5.6892 5.6894 6.6947 6.6949 7.0374 7.0374 7.4678 7.4700 7.7053 7.7081 8.6081 8.6083 8.8175 8.8177 8.9110 8.9118 9.2164 9.2170 9.4917 9.4927 9.5722 9.5727 9.7673 9.7692 9.7829 9.7848 10.0594 10.0613 10.1521 10.1541 10.6055 10.6067 10.7557 10.7570 10.8486 10.8501 11.2490 11.2625 11.2738 11.2895 11.3185 11.3223 11.5288 11.5317 11.7419 11.7453 11.8752 11.8790 11.9131 11.9133 12.0374 12.0379 12.0675 12.0694 12.2700 12.2736 12.3639 12.3668 12.9108 12.9116 13.1703 13.1705 k = 0.5000 0.2887-0.0000 ( 3054 PWs) bands (ev): -0.3686 -0.3686 0.2347 0.2347 5.3367 5.3367 5.6883 5.6883 6.6972 6.6972 7.0376 7.0376 7.4679 7.4679 7.7071 7.7071 8.6118 8.6118 8.8152 8.8152 8.9105 8.9105 9.2168 9.2168 9.4917 9.4917 9.5713 9.5713 9.7678 9.7678 9.7832 9.7832 10.0613 10.0613 10.1520 10.1520 10.6059 10.6059 10.7561 10.7561 10.8492 10.8492 11.2627 11.2627 11.2836 11.2836 11.3156 11.3156 11.5266 11.5266 11.7572 11.7572 11.8651 11.8651 11.9118 11.9118 12.0380 12.0380 12.0672 12.0672 12.2724 12.2724 12.3661 12.3661 12.9107 12.9107 13.1695 13.1695 k = 0.5000 0.2887-0.0000 ( 3054 PWs) bands (ev): -0.3686 -0.3686 0.2347 0.2347 5.3367 5.3367 5.6883 5.6883 6.6972 6.6972 7.0376 7.0376 7.4679 7.4679 7.7071 7.7071 8.6118 8.6118 8.8152 8.8152 8.9105 8.9105 9.2168 9.2168 9.4917 9.4917 9.5713 9.5713 9.7678 9.7678 9.7832 9.7832 10.0613 10.0613 10.1520 10.1520 10.6059 10.6059 10.7561 10.7561 10.8492 10.8492 11.2627 11.2627 11.2836 11.2836 11.3156 11.3156 11.5266 11.5266 11.7572 11.7572 11.8651 11.8651 11.9118 11.9118 12.0380 12.0380 12.0672 12.0672 12.2724 12.2724 12.3661 12.3661 12.9107 12.9107 13.1695 13.1695 k = 0.4924 0.3018-0.0000 ( 3054 PWs) bands (ev): -0.3680 -0.3678 0.2340 0.2342 5.3331 5.3337 5.6913 5.6923 6.6934 6.6963 7.0367 7.0405 7.4675 7.4682 7.7087 7.7093 8.6117 8.6121 8.8153 8.8155 8.9106 8.9110 9.2166 9.2173 9.4908 9.4917 9.5696 9.5709 9.7501 9.7603 9.7892 9.8003 10.0598 10.0626 10.1516 10.1525 10.6049 10.6072 10.7531 10.7585 10.8470 10.8508 11.2599 11.2673 11.2818 11.2871 11.3144 11.3187 11.5265 11.5271 11.7566 11.7574 11.8632 11.8668 11.9105 11.9140 12.0358 12.0399 12.0652 12.0683 12.2723 12.2723 12.3649 12.3655 12.8969 12.9012 13.1756 13.1814 k = 0.4848 0.3149-0.0000 ( 3046 PWs) bands (ev): -0.3659 -0.3655 0.2323 0.2327 5.3234 5.3245 5.7009 5.7027 6.6852 6.6908 7.0381 7.0453 7.4670 7.4684 7.7140 7.7153 8.6117 8.6125 8.8161 8.8164 8.9112 8.9119 9.2167 9.2182 9.4890 9.4908 9.5659 9.5684 9.7302 9.7401 9.8058 9.8178 10.0579 10.0635 10.1512 10.1531 10.6044 10.6090 10.7495 10.7602 10.8445 10.8520 11.2587 11.2734 11.2818 11.2923 11.3151 11.3235 11.5269 11.5281 11.7557 11.7573 11.8612 11.8682 11.9101 11.9169 12.0330 12.0412 12.0624 12.0687 12.2720 12.2720 12.3620 12.3632 12.8647 12.8715 13.1965 13.2059 k = 0.4773 0.3280-0.0000 ( 3048 PWs) bands (ev): -0.3624 -0.3619 0.2294 0.2301 5.3086 5.3101 5.7159 5.7185 6.6730 6.6808 7.0415 7.0517 7.4663 7.4685 7.7229 7.7247 8.6119 8.6130 8.8174 8.8179 8.9122 8.9133 9.2172 9.2195 9.4863 9.4890 9.5601 9.5640 9.7090 9.7185 9.8217 9.8344 10.0558 10.0641 10.1509 10.1538 10.6043 10.6112 10.7453 10.7610 10.8417 10.8526 11.2593 11.2795 11.2847 11.2992 11.3178 11.3300 11.5277 11.5295 11.7544 11.7569 11.8592 11.8693 11.9105 11.9204 12.0291 12.0409 12.0595 12.0684 12.2715 12.2715 12.3574 12.3591 12.8216 12.8293 13.2245 13.2345 k = 0.4697 0.3412-0.0000 ( 3052 PWs) bands (ev): -0.3576 -0.3568 0.2254 0.2263 5.2899 5.2917 5.7352 5.7385 6.6572 6.6668 7.0468 7.0594 7.4655 7.4683 7.7351 7.7374 8.6122 8.6136 8.8192 8.8199 8.9138 8.9152 9.2181 9.2210 9.4827 9.4863 9.5525 9.5575 9.6868 9.6959 9.8368 9.8500 10.0533 10.0641 10.1506 10.1544 10.6045 10.6137 10.7407 10.7610 10.8387 10.8527 11.2615 11.2834 11.2931 11.3078 11.3225 11.3380 11.5290 11.5314 11.7526 11.7559 11.8569 11.8699 11.9120 11.9244 12.0239 12.0378 12.0581 12.0682 12.2707 12.2707 12.3514 12.3536 12.7722 12.7801 13.2535 13.2602 k = 0.4621 0.3543-0.0000 ( 3052 PWs) bands (ev): -0.3513 -0.3503 0.2203 0.2214 5.2687 5.2706 5.7578 5.7615 6.6384 6.6493 7.0538 7.0683 7.4644 7.4679 7.7503 7.7529 8.6126 8.6143 8.8215 8.8225 8.9158 8.9176 9.2193 9.2228 9.4782 9.4828 9.5432 9.5494 9.6636 9.6724 9.8509 9.8647 10.0506 10.0638 10.1504 10.1551 10.6051 10.6165 10.7357 10.7600 10.8356 10.8524 11.2655 11.2873 11.3044 11.3180 11.3292 11.3475 11.5310 11.5340 11.7505 11.7545 11.8547 11.8701 11.9143 11.9288 12.0168 12.0310 12.0586 12.0681 12.2697 12.2697 12.3442 12.3468 12.7195 12.7272 13.2790 13.2794 k = 0.4545 0.3674-0.0000 ( 3050 PWs) bands (ev): -0.3436 -0.3424 0.2140 0.2154 5.2457 5.2477 5.7825 5.7867 6.6172 6.6289 7.0624 7.0782 7.4630 7.4672 7.7680 7.7709 8.6132 8.6152 8.8245 8.8256 8.9183 8.9204 9.2208 9.2249 9.4730 9.4785 9.5322 9.5395 9.6397 9.6480 9.8641 9.8784 10.0476 10.0630 10.1504 10.1558 10.6060 10.6195 10.7304 10.7580 10.8326 10.8515 11.2710 11.2924 11.3174 11.3300 11.3378 11.3583 11.5337 11.5372 11.7480 11.7527 11.8524 11.8700 11.9175 11.9335 12.0077 12.0214 12.0601 12.0681 12.2683 12.2684 12.3363 12.3391 12.6651 12.6727 13.2950 13.2998 k = 0.4470 0.3805-0.0000 ( 3046 PWs) bands (ev): -0.3345 -0.3331 0.2066 0.2082 5.2218 5.2238 5.8089 5.8134 6.5938 6.6061 7.0722 7.0889 7.4612 7.4661 7.7879 7.7909 8.6138 8.6160 8.8280 8.8293 8.9212 8.9237 9.2228 9.2274 9.4669 9.4733 9.5201 9.5285 9.6149 9.6229 9.8765 9.8913 10.0445 10.0618 10.1503 10.1564 10.6073 10.6230 10.7252 10.7553 10.8299 10.8504 11.2780 11.2986 11.3321 11.3437 11.3481 11.3703 11.5372 11.5413 11.7451 11.7505 11.8500 11.8695 11.9212 11.9378 11.9967 12.0103 12.0614 12.0681 12.2664 12.2667 12.3279 12.3307 12.6100 12.6177 13.3104 13.3184 k = 0.4394 0.3936-0.0000 ( 3050 PWs) bands (ev): -0.3241 -0.3225 0.1980 0.1999 5.1976 5.1995 5.8362 5.8410 6.5689 6.5815 7.0831 7.1003 7.4590 7.4646 7.8093 7.8124 8.6145 8.6169 8.8319 8.8335 8.9245 8.9273 9.2251 9.2300 9.4600 9.4673 9.5071 9.5165 9.5896 9.5971 9.8880 9.9035 10.0410 10.0600 10.1502 10.1568 10.6088 10.6266 10.7199 10.7517 10.8273 10.8489 11.2863 11.3058 11.3480 11.3589 11.3603 11.3832 11.5416 11.5462 11.7417 11.7478 11.8476 11.8688 11.9252 11.9414 11.9840 11.9983 12.0619 12.0673 12.2639 12.2644 12.3196 12.3220 12.5549 12.5631 13.3267 13.3370 k = 0.4318 0.4068-0.0000 ( 3046 PWs) bands (ev): -0.3123 -0.3106 0.1883 0.1903 5.1736 5.1754 5.8640 5.8692 6.5428 6.5554 7.0950 7.1125 7.4561 7.4624 7.8319 7.8350 8.6153 8.6178 8.8366 8.8384 8.9282 8.9313 9.2277 9.2330 9.4521 9.4601 9.4937 9.5038 9.5637 9.5709 9.8989 9.9148 10.0372 10.0577 10.1502 10.1572 10.6107 10.6305 10.7148 10.7475 10.8251 10.8471 11.2958 11.3143 11.3645 11.3747 11.3758 11.3970 11.5472 11.5522 11.7379 11.7446 11.8452 11.8679 11.9293 11.9429 11.9699 11.9870 12.0611 12.0655 12.2609 12.2615 12.3120 12.3132 12.5006 12.5101 13.3441 13.3565 k = 0.4242 0.4199-0.0000 ( 3050 PWs) bands (ev): -0.2992 -0.2973 0.1773 0.1795 5.1501 5.1518 5.8922 5.8976 6.5157 6.5282 7.1078 7.1253 7.4526 7.4595 7.8550 7.8581 8.6161 8.6187 8.8418 8.8439 8.9322 8.9356 9.2307 9.2361 9.4430 9.4512 9.4807 9.4911 9.5376 9.5444 9.9091 9.9255 10.0333 10.0550 10.1500 10.1573 10.6126 10.6344 10.7099 10.7428 10.8230 10.8449 11.3064 11.3236 11.3805 11.3919 11.3943 11.4113 11.5542 11.5594 11.7336 11.7409 11.8427 11.8668 11.9332 11.9399 11.9547 11.9787 12.0583 12.0619 12.2570 12.2575 12.3046 12.3055 12.4477 12.4599 13.3627 13.3769 k = 0.4167 0.4330-0.0000 ( 3056 PWs) bands (ev): -0.2849 -0.2828 0.1651 0.1675 5.1274 5.1290 5.9205 5.9260 6.4881 6.5003 7.1215 7.1388 7.4483 7.4559 7.8783 7.8814 8.6169 8.6195 8.8475 8.8499 8.9363 8.9401 9.2340 9.2396 9.4326 9.4399 9.4692 9.4789 9.5114 9.5176 9.9186 9.9355 10.0292 10.0518 10.1498 10.1572 10.6148 10.6384 10.7054 10.7377 10.8212 10.8425 11.3180 11.3341 11.3958 11.4119 11.4142 11.4259 11.5630 11.5681 11.7287 11.7366 11.8402 11.8655 11.9303 11.9356 11.9396 11.9752 12.0531 12.0557 12.2513 12.2523 12.2962 12.3002 12.3971 12.4142 13.3822 13.3983 k = 0.4091 0.4461-0.0000 ( 3060 PWs) bands (ev): -0.2693 -0.2670 0.1516 0.1543 5.1059 5.1073 5.9486 5.9543 6.4601 6.4721 7.1360 7.1531 7.4431 7.4513 7.9014 7.9043 8.6178 8.6203 8.8540 8.8566 8.9407 8.9448 9.2378 9.2433 9.4206 9.4263 9.4594 9.4678 9.4855 9.4910 9.9275 9.9448 10.0249 10.0483 10.1496 10.1569 10.6171 10.6426 10.7013 10.7325 10.8196 10.8399 11.3304 11.3455 11.4107 11.4338 11.4351 11.4406 11.5738 11.5785 11.7233 11.7320 11.8377 11.8642 11.9162 11.9213 11.9398 11.9746 12.0453 12.0468 12.2406 12.2462 12.2884 12.2960 12.3501 12.3759 13.4026 13.4205 k = 0.4015 0.4593-0.0000 ( 3046 PWs) bands (ev): -0.2524 -0.2499 0.1369 0.1398 5.0857 5.0870 5.9764 5.9824 6.4321 6.4438 7.1513 7.1680 7.4369 7.4457 7.9238 7.9265 8.6187 8.6211 8.8611 8.8641 8.9452 8.9496 9.2420 9.2474 9.4071 9.4109 9.4495 9.4580 9.4617 9.4647 9.9358 9.9535 10.0207 10.0445 10.1493 10.1565 10.6195 10.6467 10.6977 10.7274 10.8183 10.8372 11.3437 11.3580 11.4254 11.4533 11.4571 11.4592 11.5872 11.5909 11.7172 11.7270 11.8353 11.8628 11.9001 11.9045 11.9412 11.9741 12.0350 12.0352 12.2219 12.2364 12.2825 12.2930 12.3106 12.3482 13.4237 13.4432 k = 0.3939 0.4724-0.0000 ( 3042 PWs) bands (ev): -0.2343 -0.2317 0.1210 0.1240 5.0671 5.0682 6.0039 6.0101 6.4042 6.4154 7.1673 7.1836 7.4295 7.4389 7.9450 7.9475 8.6196 8.6219 8.8689 8.8722 8.9495 8.9541 9.2466 9.2518 9.3925 9.3947 9.4310 9.4387 9.4482 9.4499 9.9436 9.9616 10.0164 10.0404 10.1489 10.1558 10.6218 10.6507 10.6947 10.7222 10.8170 10.8344 11.3576 11.3713 11.4396 11.4670 11.4810 11.4822 11.6031 11.6049 11.7104 11.7220 11.8327 11.8611 11.8835 11.8879 11.9406 11.9712 12.0202 12.0230 12.1951 12.2173 12.2793 12.2837 12.2913 12.3308 13.4450 13.4659 k = 0.3864 0.4855-0.0000 ( 3048 PWs) bands (ev): -0.2151 -0.2123 0.1037 0.1069 5.0501 5.0511 6.0310 6.0372 6.3764 6.3873 7.1840 7.1999 7.4208 7.4309 7.9647 7.9670 8.6205 8.6226 8.8773 8.8809 8.9534 8.9583 9.2516 9.2564 9.3772 9.3782 9.4075 9.4137 9.4413 9.4427 9.9508 9.9690 10.0121 10.0360 10.1484 10.1548 10.6239 10.6544 10.6921 10.7172 10.8158 10.8314 11.3720 11.3854 11.4531 11.4793 11.5045 11.5057 11.6204 11.6215 11.7032 11.7178 11.8300 11.8591 11.8671 11.8721 11.9370 11.9642 12.0027 12.0097 12.1646 12.1887 12.2721 12.2783 12.2895 12.3206 13.4663 13.4879 k = 0.3788 0.4986-0.0000 ( 3044 PWs) bands (ev): -0.1948 -0.1918 0.0852 0.0885 5.0351 5.0360 6.0575 6.0639 6.3491 6.3597 7.2014 7.2168 7.4108 7.4214 7.9826 7.9846 8.6215 8.6233 8.8864 8.8902 8.9568 8.9619 9.2570 9.2613 9.3620 9.3621 9.3847 9.3901 9.4359 9.4366 9.9574 9.9758 10.0080 10.0317 10.1480 10.1538 10.6259 10.6580 10.6902 10.7125 10.8149 10.8285 11.3870 11.4003 11.4658 11.4906 11.5265 11.5284 11.6368 11.6424 11.6965 11.7162 11.8273 11.8520 11.8553 11.8590 11.9294 11.9515 11.9830 11.9952 12.1358 12.1585 12.2680 12.2789 12.2884 12.3146 13.4870 13.5078 k = 0.3712 0.5117-0.0000 ( 3040 PWs) bands (ev): -0.1734 -0.1703 0.0654 0.0689 5.0221 5.0228 6.0834 6.0899 6.3224 6.3327 7.2194 7.2343 7.3993 7.4105 7.9982 8.0000 8.6225 8.6240 8.8960 8.9000 8.9592 8.9644 9.2628 9.2667 9.3468 9.3472 9.3635 9.3682 9.4313 9.4315 9.9634 9.9818 10.0042 10.0275 10.1475 10.1525 10.6278 10.6611 10.6890 10.7082 10.8142 10.8256 11.4024 11.4159 11.4777 11.5009 11.5446 11.5481 11.6535 11.6650 11.6921 11.7200 11.8242 11.8388 11.8431 11.8553 11.9169 11.9332 11.9615 11.9783 12.1125 12.1319 12.2670 12.2803 12.2877 12.3108 13.5065 13.5246 k = 0.3636 0.5249-0.0000 ( 3048 PWs) bands (ev): -0.1510 -0.1477 0.0444 0.0479 5.0113 5.0119 6.1086 6.1152 6.2964 6.3064 7.2380 7.2523 7.3862 7.3980 8.0113 8.0128 8.6234 8.6246 8.9059 8.9101 8.9603 8.9656 9.2690 9.2723 9.3327 9.3333 9.3447 9.3486 9.4272 9.4274 9.9687 9.9871 10.0008 10.0234 10.1471 10.1513 10.6293 10.6636 10.6884 10.7042 10.8137 10.8229 11.4180 11.4319 11.4885 11.5102 11.5555 11.5615 11.6709 11.6852 11.6964 11.7313 11.8193 11.8294 11.8308 11.8521 11.8993 11.9107 11.9385 11.9573 12.0961 12.1111 12.2672 12.2820 12.2872 12.3084 13.5241 13.5391 k = 0.3561 0.5380-0.0000 ( 3044 PWs) bands (ev): -0.1276 -0.1242 0.0221 0.0258 5.0027 5.0032 6.1331 6.1397 6.2713 6.2810 7.2571 7.2708 7.3715 7.3839 8.0218 8.0230 8.6244 8.6253 8.9160 8.9204 8.9599 8.9651 9.2755 9.2782 9.3202 9.3207 9.3289 9.3319 9.4239 9.4242 9.9732 9.9914 9.9980 10.0198 10.1468 10.1500 10.6305 10.6656 10.6886 10.7006 10.8136 10.8205 11.4339 11.4480 11.4980 11.5183 11.5576 11.5654 11.6913 11.6969 11.7183 11.7498 11.8116 11.8195 11.8257 11.8470 11.8799 11.8862 11.9146 11.9331 12.0862 12.0964 12.2680 12.2838 12.2869 12.3068 13.5398 13.5520 k = 0.3485 0.5511-0.0000 ( 3042 PWs) bands (ev): -0.1034 -0.0997 -0.0015 0.0023 4.9966 4.9968 6.1568 6.1633 6.2471 6.2568 7.2766 7.2896 7.3551 7.3683 8.0295 8.0303 8.6253 8.6259 8.9261 8.9305 8.9573 8.9623 9.2823 9.2844 9.3099 9.3099 9.3166 9.3186 9.4214 9.4218 9.9766 9.9944 9.9960 10.0170 10.1466 10.1488 10.6314 10.6669 10.6894 10.6975 10.8139 10.8184 11.4494 11.4634 11.5056 11.5246 11.5531 11.5600 11.7123 11.7153 11.7427 11.7726 11.8045 11.8078 11.8259 11.8369 11.8619 11.8657 11.8894 11.9070 12.0810 12.0868 12.2688 12.2853 12.2867 12.3059 13.5539 13.5637 k = 0.3409 0.5642-0.0000 ( 3048 PWs) bands (ev): -0.0782 -0.0744 -0.0262 -0.0223 4.9928 4.9930 6.1796 6.1852 6.2239 6.2344 7.2965 7.3082 7.3372 7.3517 8.0342 8.0346 8.6259 8.6261 8.9358 8.9399 8.9524 8.9573 9.2890 9.2903 9.3013 9.3019 9.3085 9.3094 9.4199 9.4202 9.9785 9.9953 9.9959 10.0153 10.1467 10.1478 10.6319 10.6676 10.6908 10.6948 10.8144 10.8167 11.4640 11.4750 11.5114 11.5265 11.5470 11.5509 11.7283 11.7410 11.7625 11.7880 11.7987 11.8015 11.8268 11.8298 11.8414 11.8594 11.8645 11.8811 12.0787 12.0811 12.2692 12.2862 12.2866 12.3054 13.5663 13.5729 k = 0.3333 0.5774-0.0000 ( 3048 PWs) bands (ev): -0.0540 -0.0503 -0.0503 -0.0461 4.9916 4.9916 6.1993 6.1993 6.2042 6.2201 7.3135 7.3208 7.3208 7.3397 8.0359 8.0359 8.6262 8.6262 8.9437 8.9464 8.9464 8.9521 9.2936 9.2936 9.2969 9.2981 9.3055 9.3055 9.4195 9.4195 9.9791 9.9957 9.9957 10.0147 10.1471 10.1471 10.6321 10.6678 10.6926 10.6926 10.8154 10.8154 11.4752 11.4752 11.5192 11.5192 11.5446 11.5473 11.7356 11.7605 11.7714 11.7714 11.8051 11.8051 11.8315 11.8315 11.8364 11.8431 11.8627 11.8627 12.0787 12.0787 12.2694 12.2865 12.2865 12.3052 13.5751 13.5751 k = 0.3333 0.5774-0.0000 ( 3048 PWs) bands (ev): -0.0540 -0.0503 -0.0503 -0.0461 4.9916 4.9916 6.1993 6.1993 6.2042 6.2201 7.3135 7.3208 7.3208 7.3397 8.0359 8.0359 8.6262 8.6262 8.9437 8.9464 8.9464 8.9521 9.2936 9.2936 9.2969 9.2981 9.3055 9.3055 9.4195 9.4195 9.9791 9.9957 9.9957 10.0147 10.1471 10.1471 10.6321 10.6678 10.6926 10.6926 10.8154 10.8154 11.4752 11.4752 11.5192 11.5192 11.5446 11.5473 11.7356 11.7605 11.7714 11.7714 11.8051 11.8051 11.8315 11.8315 11.8364 11.8431 11.8627 11.8627 12.0787 12.0787 12.2694 12.2865 12.2865 12.3052 13.5751 13.5751 k = 0.3258 0.5642-0.0000 ( 3048 PWs) bands (ev): -0.0793 -0.0753 -0.0254 -0.0213 4.9928 4.9930 6.1808 6.1861 6.2229 6.2334 7.2955 7.3073 7.3382 7.3526 8.0342 8.0346 8.6258 8.6261 8.9355 8.9390 8.9534 8.9576 9.2912 9.2930 9.2979 9.3005 9.3089 9.3090 9.4199 9.4203 9.9787 9.9943 9.9969 10.0151 10.1468 10.1478 10.6319 10.6676 10.6909 10.6946 10.8145 10.8167 11.4618 11.4749 11.5116 11.5301 11.5473 11.5491 11.7292 11.7414 11.7713 11.7811 11.7930 11.8028 11.8227 11.8245 11.8482 11.8582 11.8738 11.8769 12.0790 12.0807 12.2692 12.2862 12.2865 12.3053 13.5619 13.5698 k = 0.3182 0.5511-0.0000 ( 3048 PWs) bands (ev): -0.1073 -0.1033 0.0020 0.0063 4.9967 4.9969 6.1613 6.1674 6.2428 6.2524 7.2729 7.2859 7.3589 7.3720 8.0295 8.0304 8.6246 8.6251 8.9246 8.9278 8.9603 8.9638 9.2905 9.2938 9.3004 9.3050 9.3158 9.3159 9.4215 9.4225 9.9781 9.9923 9.9981 10.0156 10.1469 10.1489 10.6316 10.6673 10.6897 10.6968 10.8139 10.8183 11.4411 11.4581 11.5107 11.5333 11.5539 11.5590 11.7155 11.7201 11.7637 11.7668 11.7850 11.7980 11.8075 11.8270 11.8770 11.8781 11.8983 11.9043 12.0822 12.0851 12.2687 12.2854 12.2865 12.3056 13.5349 13.5466 k = 0.3106 0.5380-0.0000 ( 3044 PWs) bands (ev): -0.1364 -0.1323 0.0301 0.0344 5.0032 5.0036 6.1432 6.1494 6.2616 6.2711 7.2488 7.2625 7.3798 7.3922 8.0221 8.0235 8.6223 8.6230 8.9128 8.9157 8.9659 8.9688 9.2924 9.2973 9.3053 9.3123 9.3242 9.3242 9.4248 9.4264 9.9774 9.9901 9.9992 10.0160 10.1476 10.1504 10.6312 10.6670 10.6888 10.6989 10.8139 10.8203 11.4168 11.4341 11.5056 11.5270 11.5630 11.5767 11.6994 11.7037 11.7375 11.7500 11.7848 11.7945 11.7994 11.8284 11.9037 11.9103 11.9254 11.9356 12.0886 12.0925 12.2678 12.2839 12.2864 12.3058 13.5007 13.5142 k = 0.3030 0.5249-0.0000 ( 3040 PWs) bands (ev): -0.1665 -0.1623 0.0587 0.0632 5.0123 5.0128 6.1265 6.1326 6.2791 6.2887 7.2235 7.2377 7.4008 7.4125 8.0119 8.0139 8.6184 8.6192 8.9010 8.9035 8.9701 8.9723 9.2964 9.3030 9.3122 9.3217 9.3335 9.3340 9.4299 9.4323 9.9769 9.9879 9.9998 10.0161 10.1489 10.1524 10.6308 10.6667 10.6883 10.7011 10.8142 10.8227 11.3907 11.4075 11.4928 11.5135 11.5753 11.5959 11.6808 11.6921 11.7090 11.7377 11.7840 11.7912 11.7970 11.8278 11.9300 11.9420 11.9547 11.9687 12.0990 12.1040 12.2669 12.2821 12.2863 12.3060 13.4620 13.4765 k = 0.2955 0.5117-0.0000 ( 3038 PWs) bands (ev): -0.1974 -0.1933 0.0878 0.0924 5.0241 5.0247 6.1113 6.1172 6.2953 6.3050 7.1972 7.2118 7.4218 7.4329 7.9993 8.0018 8.6124 8.6132 8.8901 8.8924 8.9731 8.9745 9.3018 9.3104 9.3200 9.3316 9.3451 9.3458 9.4374 9.4406 9.9765 9.9859 10.0000 10.0158 10.1510 10.1548 10.6306 10.6666 10.6882 10.7032 10.8149 10.8254 11.3633 11.3796 11.4739 11.4939 11.5875 11.6144 11.6594 11.6725 11.6950 11.7313 11.7834 11.7875 11.7980 11.8262 11.9528 11.9651 11.9904 12.0036 12.1140 12.1206 12.2660 12.2801 12.2865 12.3063 13.4199 13.4351 k = 0.2879 0.4986-0.0000 ( 3036 PWs) bands (ev): -0.2291 -0.2250 0.1173 0.1220 5.0386 5.0393 6.0976 6.1034 6.3099 6.3198 7.1702 7.1851 7.4426 7.4531 7.9843 7.9875 8.6037 8.6045 8.8810 8.8830 8.9751 8.9757 9.3078 9.3183 9.3277 9.3405 9.3598 9.3599 9.4478 9.4517 9.9763 9.9839 9.9998 10.0152 10.1538 10.1577 10.6308 10.6668 10.6884 10.7055 10.8158 10.8284 11.3354 11.3511 11.4509 11.4700 11.5933 11.6237 11.6413 11.6523 11.6947 11.7302 11.7835 11.7839 11.8012 11.8242 11.9705 11.9814 12.0291 12.0401 12.1330 12.1424 12.2655 12.2782 12.2877 12.3071 13.3751 13.3906 k = 0.2803 0.4855-0.0000 ( 3038 PWs) bands (ev): -0.2616 -0.2574 0.1472 0.1520 5.0557 5.0564 6.0856 6.0912 6.3229 6.3330 7.1428 7.1580 7.4632 7.4730 7.9673 7.9711 8.5919 8.5926 8.8746 8.8763 8.9763 8.9764 9.3138 9.3260 9.3350 9.3483 9.3764 9.3774 9.4618 9.4661 9.9763 9.9820 9.9992 10.0142 10.1573 10.1612 10.6314 10.6672 10.6888 10.7078 10.8169 10.8315 11.3069 11.3220 11.4253 11.4432 11.5807 11.6020 11.6393 11.6609 11.6983 11.7323 11.7805 11.7844 11.8061 11.8220 11.9836 11.9931 12.0688 12.0780 12.1541 12.1676 12.2655 12.2767 12.2914 12.3091 13.3279 13.3436 k = 0.2727 0.4724-0.0000 ( 3038 PWs) bands (ev): -0.2947 -0.2905 0.1773 0.1822 5.0753 5.0762 6.0752 6.0806 6.3339 6.3442 7.1153 7.1308 7.4833 7.4924 7.9484 7.9530 8.5768 8.5773 8.8713 8.8727 8.9766 8.9774 9.3192 9.3328 9.3415 9.3554 9.3951 9.3972 9.4794 9.4839 9.9762 9.9802 9.9983 10.0130 10.1617 10.1652 10.6325 10.6680 10.6896 10.7103 10.8182 10.8348 11.2782 11.2927 11.3984 11.4150 11.5549 11.5711 11.6488 11.6764 11.7044 11.7358 11.7772 11.7863 11.8127 11.8199 11.9934 12.0018 12.1086 12.1165 12.1738 12.1933 12.2657 12.2761 12.3005 12.3141 13.2786 13.2944 k = 0.2652 0.4593-0.0000 ( 3042 PWs) bands (ev): -0.3283 -0.3242 0.2076 0.2126 5.0975 5.0985 6.0665 6.0717 6.3429 6.3534 7.0881 7.1038 7.5030 7.5113 7.9278 7.9332 8.5584 8.5587 8.8711 8.8723 8.9769 8.9783 9.3238 9.3383 9.3474 9.3618 9.4156 9.4187 9.5006 9.5048 9.9761 9.9784 9.9973 10.0116 10.1669 10.1698 10.6342 10.6693 10.6906 10.7130 10.8196 10.8384 11.2494 11.2633 11.3706 11.3860 11.5248 11.5387 11.6607 11.6894 11.7128 11.7396 11.7743 11.7893 11.8185 11.8209 12.0010 12.0086 12.1478 12.1548 12.1888 12.2152 12.2656 12.2764 12.3179 12.3255 13.2275 13.2433 k = 0.2576 0.4461-0.0000 ( 3036 PWs) bands (ev): -0.3623 -0.3583 0.2381 0.2431 5.1222 5.1233 6.0596 6.0647 6.3496 6.3602 7.0617 7.0775 7.5220 7.5293 7.9058 7.9123 8.5369 8.5369 8.8740 8.8749 8.9776 8.9795 9.3275 9.3425 9.3526 9.3677 9.4377 9.4416 9.5250 9.5287 9.9759 9.9766 9.9962 10.0101 10.1731 10.1753 10.6365 10.6710 10.6921 10.7160 10.8210 10.8420 11.2206 11.2339 11.3426 11.3569 11.4937 11.5064 11.6724 11.6983 11.7229 11.7426 11.7717 11.7929 11.8186 11.8308 12.0074 12.0146 12.1843 12.1908 12.1994 12.2318 12.2658 12.2771 12.3442 12.3469 13.1750 13.1907 k = 0.2500 0.4330-0.0000 ( 3044 PWs) bands (ev): -0.3967 -0.3927 0.2686 0.2737 5.1493 5.1505 6.0545 6.0594 6.3537 6.3644 7.0363 7.0522 7.5402 7.5463 7.8827 7.8903 8.5123 8.5125 8.8797 8.8804 8.9788 8.9811 9.3303 9.3456 9.3571 9.3729 9.4609 9.4655 9.5522 9.5551 9.9747 9.9754 9.9951 10.0084 10.1798 10.1811 10.6395 10.6732 10.6938 10.7194 10.8225 10.8458 11.1919 11.2046 11.3146 11.3278 11.4621 11.4741 11.6834 11.7036 11.7328 11.7442 11.7697 11.7956 11.8225 11.8421 12.0128 12.0200 12.2020 12.2109 12.2259 12.2498 12.2697 12.2779 12.3774 12.3779 13.1213 13.1368 k = 0.2424 0.4199-0.0000 ( 3040 PWs) bands (ev): -0.4314 -0.4274 0.2991 0.3042 5.1788 5.1800 6.0512 6.0559 6.3550 6.3657 7.0125 7.0284 7.5573 7.5621 7.8588 7.8679 8.4852 8.4857 8.8879 8.8884 8.9807 8.9834 9.3324 9.3479 9.3610 9.3775 9.4851 9.4904 9.5816 9.5838 9.9727 9.9749 9.9941 10.0068 10.1876 10.1879 10.6432 10.6760 10.6961 10.7234 10.8240 10.8497 11.1634 11.1755 11.2869 11.2991 11.4305 11.4420 11.6935 11.7065 11.7409 11.7440 11.7683 11.7959 11.8315 11.8545 12.0176 12.0253 12.2049 12.2216 12.2426 12.2685 12.2885 12.2889 12.4153 12.4154 13.0669 13.0822 k = 0.2348 0.4068-0.0000 ( 3044 PWs) bands (ev): -0.4662 -0.4623 0.3294 0.3346 5.2106 5.2119 6.0497 6.0542 6.3532 6.3639 6.9907 7.0065 7.5731 7.5761 7.8344 7.8453 8.4560 8.4568 8.8982 8.8986 8.9835 8.9865 9.3339 9.3495 9.3643 9.3815 9.5098 9.5157 9.6129 9.6141 9.9706 9.9742 9.9932 10.0052 10.1953 10.1960 10.6476 10.6792 10.6987 10.7277 10.8254 10.8535 11.1352 11.1467 11.2595 11.2708 11.3987 11.4100 11.7025 11.7075 11.7423 11.7473 11.7673 11.7943 11.8445 11.8679 12.0217 12.0302 12.2068 12.2248 12.2448 12.2696 12.3208 12.3219 12.4562 12.4564 13.0119 13.0270 k = 0.2273 0.3936-0.0000 ( 3048 PWs) bands (ev): -0.5010 -0.4972 0.3596 0.3648 5.2445 5.2459 6.0501 6.0545 6.3483 6.3588 6.9713 6.9868 7.5873 7.5879 7.8101 7.8232 8.4250 8.4259 8.9104 8.9106 8.9872 8.9905 9.3349 9.3504 9.3670 9.3850 9.5349 9.5414 9.6455 9.6457 9.9685 9.9738 9.9925 10.0039 10.2036 10.2054 10.6526 10.6830 10.7019 10.7326 10.8268 10.8574 11.1073 11.1182 11.2325 11.2429 11.3670 11.3782 11.7066 11.7102 11.7396 11.7525 11.7665 11.7918 11.8595 11.8816 12.0247 12.0346 12.2090 12.2261 12.2430 12.2673 12.3560 12.3583 12.4992 12.4999 12.9570 12.9717 k = 0.2197 0.3805-0.0000 ( 3048 PWs) bands (ev): -0.5358 -0.5320 0.3896 0.3948 5.2806 5.2821 6.0523 6.0566 6.3402 6.3503 6.9545 6.9696 7.5967 7.5990 7.7865 7.8025 8.3924 8.3935 8.9240 8.9242 8.9919 8.9954 9.3355 9.3510 9.3692 9.3878 9.5601 9.5671 9.6782 9.6792 9.9666 9.9737 9.9920 10.0030 10.2127 10.2156 10.6583 10.6874 10.7056 10.7380 10.8282 10.8612 11.0797 11.0901 11.2060 11.2157 11.3359 11.3472 11.7039 11.7156 11.7372 11.7571 11.7656 11.7889 11.8753 11.8954 12.0265 12.0382 12.2119 12.2274 12.2399 12.2643 12.3909 12.3943 12.5438 12.5451 12.9027 12.9169 k = 0.2121 0.3674-0.0000 ( 3040 PWs) bands (ev): -0.5704 -0.5667 0.4192 0.4244 5.3187 5.3203 6.0565 6.0606 6.3288 6.3384 6.9404 6.9550 7.6014 7.6072 7.7649 7.7844 8.3584 8.3597 8.9390 8.9391 8.9977 9.0014 9.3358 9.3512 9.3709 9.3901 9.5851 9.5926 9.7111 9.7134 9.9649 9.9744 9.9921 10.0028 10.2226 10.2265 10.6646 10.6924 10.7099 10.7439 10.8295 10.8650 11.0525 11.0624 11.1801 11.1891 11.3054 11.3167 11.6996 11.7165 11.7377 11.7613 11.7650 11.7858 11.8910 11.9087 12.0270 12.0409 12.2159 12.2293 12.2364 12.2609 12.4244 12.4287 12.5895 12.5916 12.8499 12.8634 k = 0.2045 0.3543-0.0000 ( 3032 PWs) bands (ev): -0.6047 -0.6012 0.4484 0.4536 5.3588 5.3605 6.0626 6.0666 6.3142 6.3232 6.9292 6.9431 7.6007 7.6102 7.7472 7.7702 8.3231 8.3245 8.9552 8.9552 9.0045 9.0084 9.3359 9.3512 9.3722 9.3919 9.6095 9.6175 9.7439 9.7477 9.9638 9.9761 9.9928 10.0036 10.2332 10.2380 10.6715 10.6979 10.7147 10.7504 10.8308 10.8687 11.0258 11.0353 11.1547 11.1631 11.2753 11.2869 11.6938 11.7121 11.7416 11.7650 11.7656 11.7828 11.9058 11.9209 12.0261 12.0421 12.2207 12.2320 12.2329 12.2575 12.4555 12.4603 12.6363 12.6390 12.7996 12.8120 k = 0.1970 0.3412-0.0000 ( 3028 PWs) bands (ev): -0.6387 -0.6352 0.4771 0.4823 5.4006 5.4024 6.0706 6.0744 6.2968 6.3051 6.9206 6.9337 7.5935 7.6057 7.7356 7.7611 8.2866 8.2881 8.9722 8.9722 9.0124 9.0163 9.3357 9.3508 9.3732 9.3933 9.6329 9.6415 9.7757 9.7812 9.9639 9.9795 9.9948 10.0059 10.2445 10.2500 10.6788 10.7040 10.7201 10.7571 10.8319 10.8722 10.9995 11.0086 11.1299 11.1378 11.2460 11.2578 11.6866 11.7047 11.7465 11.7661 11.7699 11.7799 11.9190 11.9316 12.0238 12.0419 12.2256 12.2302 12.2355 12.2540 12.4829 12.4872 12.6837 12.6872 12.7540 12.7647 k = 0.1894 0.3280-0.0000 ( 3024 PWs) bands (ev): -0.6723 -0.6689 0.5053 0.5104 5.4441 5.4461 6.0804 6.0841 6.2768 6.2845 6.9145 6.9268 7.5797 7.5929 7.7308 7.7571 8.2489 8.2505 8.9898 8.9898 9.0211 9.0250 9.3353 9.3502 9.3738 9.3943 9.6551 9.6643 9.8052 9.8126 9.9663 9.9854 9.9987 10.0100 10.2564 10.2627 10.6865 10.7106 10.7259 10.7642 10.8330 10.8755 10.9738 10.9826 11.1057 11.1133 11.2173 11.2295 11.6785 11.6956 11.7507 11.7690 11.7740 11.7773 11.9302 11.9402 12.0204 12.0404 12.2242 12.2345 12.2391 12.2512 12.5036 12.5058 12.7167 12.7189 12.7365 12.7373 k = 0.1818 0.3149-0.0000 ( 3028 PWs) bands (ev): -0.7053 -0.7020 0.5328 0.5379 5.4892 5.4913 6.0920 6.0956 6.2547 6.2616 6.9106 6.9221 7.5605 7.5731 7.7317 7.7573 8.2101 8.2118 9.0079 9.0080 9.0306 9.0346 9.3347 9.3493 9.3742 9.3949 9.6755 9.6853 9.8307 9.8395 9.9732 9.9950 10.0051 10.0165 10.2687 10.2756 10.6947 10.7176 10.7321 10.7714 10.8340 10.8784 10.9486 10.9573 11.0820 11.0894 11.1895 11.2020 11.6692 11.6850 11.7536 11.7739 11.7743 11.7790 11.9390 11.9463 12.0160 12.0375 12.2206 12.2405 12.2412 12.2510 12.5103 12.5125 12.6942 12.6948 12.7830 12.7857 k = 0.1742 0.3018-0.0000 ( 3030 PWs) bands (ev): -0.7376 -0.7345 0.5597 0.5647 5.5358 5.5380 6.1055 6.1089 6.2310 6.2370 6.9086 6.9192 7.5373 7.5488 7.7361 7.7603 8.1703 8.1721 9.0264 9.0264 9.0410 9.0450 9.3338 9.3482 9.3746 9.3954 9.6940 9.7043 9.8503 9.8592 9.9870 10.0091 10.0158 10.0260 10.2816 10.2889 10.7031 10.7251 10.7387 10.7786 10.8351 10.8810 10.9241 10.9329 11.0589 11.0664 11.1625 11.1755 11.6591 11.6735 11.7559 11.7722 11.7803 11.7833 11.9448 11.9492 12.0111 12.0337 12.2171 12.2385 12.2480 12.2543 12.4968 12.5042 12.6845 12.6919 12.8325 12.8354 k = 0.1667 0.2887-0.0000 ( 3022 PWs) bands (ev): -0.7692 -0.7662 0.5859 0.5908 5.5836 5.5860 6.1208 6.1240 6.2060 6.2114 6.9081 6.9179 7.5114 7.5215 7.7423 7.7650 8.1296 8.1313 9.0450 9.0451 9.0521 9.0562 9.3328 9.3468 9.3749 9.3957 9.7102 9.7211 9.8631 9.8704 10.0083 10.0237 10.0358 10.0397 10.2949 10.3025 10.7117 10.7328 10.7455 10.7857 10.8363 10.8833 10.9004 10.9098 11.0364 11.0442 11.1365 11.1500 11.6483 11.6611 11.7581 11.7704 11.7875 11.7875 11.9473 11.9486 12.0060 12.0292 12.2136 12.2352 12.2546 12.2589 12.4705 12.4808 12.6919 12.7041 12.8827 12.8853 k = 0.1591 0.2756-0.0000 ( 3026 PWs) bands (ev): -0.8001 -0.7972 0.6112 0.6160 5.6325 5.6351 6.1378 6.1403 6.1804 6.1853 6.9089 6.9179 7.4835 7.4925 7.7492 7.7704 8.0879 8.0896 9.0631 9.0633 9.0642 9.0684 9.3315 9.3451 9.3752 9.3959 9.7241 9.7354 9.8696 9.8745 10.0331 10.0391 10.0597 10.0640 10.3084 10.3161 10.7203 10.7404 10.7525 10.7922 10.8371 10.8773 10.8852 10.8883 11.0144 11.0228 11.1116 11.1256 11.6367 11.6479 11.7606 11.7689 11.7913 11.7951 11.9437 11.9461 12.0009 12.0240 12.2103 12.2314 12.2604 12.2633 12.4388 12.4499 12.7091 12.7241 12.9332 12.9350 k = 0.1515 0.2624-0.0000 ( 3026 PWs) bands (ev): -0.8300 -0.8272 0.6357 0.6404 5.6823 5.6852 6.1515 6.1517 6.1593 6.1660 6.9106 6.9189 7.4542 7.4622 7.7563 7.7763 8.0453 8.0470 9.0759 9.0783 9.0826 9.0839 9.3299 9.3431 9.3758 9.3962 9.7358 9.7475 9.8715 9.8742 10.0563 10.0568 10.0887 10.0973 10.3221 10.3298 10.7288 10.7477 10.7593 10.7979 10.8364 10.8553 10.8704 10.8865 10.9929 11.0023 11.0877 11.1024 11.6246 11.6340 11.7636 11.7680 11.7943 11.8027 11.9346 11.9413 11.9960 12.0185 12.2072 12.2276 12.2653 12.2671 12.4067 12.4173 12.7309 12.7477 12.9835 12.9840 k = 0.1439 0.2493-0.0000 ( 3026 PWs) bands (ev): -0.8590 -0.8563 0.6593 0.6638 5.7325 5.7359 6.1282 6.1297 6.1776 6.1815 6.9131 6.9207 7.4241 7.4312 7.7634 7.7821 8.0018 8.0035 9.0883 9.0912 9.1008 9.1017 9.3279 9.3406 9.3765 9.3966 9.7456 9.7575 9.8704 9.8713 10.0769 10.0781 10.1244 10.1339 10.3359 10.3436 10.7368 10.7540 10.7660 10.8024 10.8307 10.8344 10.8606 10.8873 10.9722 10.9830 11.0651 11.0805 11.6120 11.6196 11.7673 11.7675 11.7960 11.8099 11.9212 11.9334 11.9915 12.0127 12.2043 12.2237 12.2691 12.2699 12.3768 12.3861 12.7549 12.7729 13.0318 13.0332 k = 0.1364 0.2362-0.0000 ( 3035 PWs) bands (ev): -0.8869 -0.8844 0.6819 0.6863 5.7827 5.7867 6.1039 6.1046 6.1995 6.2030 6.9161 6.9229 7.3931 7.3995 7.7701 7.7878 7.9575 7.9592 9.1010 9.1038 9.1186 9.1193 9.3256 9.3377 9.3775 9.3971 9.7536 9.7656 9.8671 9.8674 10.0989 10.1005 10.1631 10.1724 10.3499 10.3573 10.7437 10.7577 10.7720 10.8053 10.8152 10.8197 10.8604 10.8876 10.9524 10.9652 11.0437 11.0601 11.5988 11.6047 11.7672 11.7717 11.7952 11.8155 11.9045 11.9234 11.9873 12.0069 12.2014 12.2198 12.2713 12.2715 12.3500 12.3576 12.7797 12.7986 13.0771 13.0812 k = 0.1288 0.2231-0.0000 ( 3039 PWs) bands (ev): -0.9137 -0.9113 0.7035 0.7077 5.8318 5.8368 6.0813 6.0818 6.2230 6.2263 6.9193 6.9256 7.3617 7.3674 7.7765 7.7932 7.9125 7.9142 9.1137 9.1164 9.1357 9.1363 9.3228 9.3344 9.3788 9.3978 9.7604 9.7723 9.8622 9.8633 10.1226 10.1240 10.2034 10.2123 10.3639 10.3709 10.7481 10.7568 10.7773 10.7988 10.8039 10.8136 10.8645 10.8874 10.9335 10.9490 11.0238 11.0413 11.5852 11.5893 11.7667 11.7767 11.7913 11.8169 11.8878 11.9137 11.9835 12.0012 12.1985 12.2158 12.2714 12.2725 12.3268 12.3324 12.8049 12.8244 13.1185 13.1263 k = 0.1212 0.2099-0.0000 ( 3043 PWs) bands (ev): -0.9393 -0.9371 0.7240 0.7281 5.8774 5.8837 6.0624 6.0647 6.2480 6.2511 6.9226 6.9283 7.3298 7.3349 7.7824 7.7979 7.8671 7.8688 9.1264 9.1288 9.1519 9.1525 9.3196 9.3305 9.3805 9.3989 9.7662 9.7780 9.8571 9.8588 10.1474 10.1484 10.2445 10.2529 10.3778 10.3843 10.7471 10.7495 10.7805 10.7887 10.7988 10.8157 10.8701 10.8868 10.9162 10.9349 11.0054 11.0242 11.5711 11.5735 11.7630 11.7822 11.7853 11.8088 11.8772 11.9062 11.9801 11.9957 12.1956 12.2118 12.2697 12.2719 12.3071 12.3107 12.8305 12.8504 13.1544 13.1668 k = 0.1136 0.1968-0.0000 ( 3047 PWs) bands (ev): -0.9637 -0.9616 0.7435 0.7474 5.9133 5.9215 6.0541 6.0585 6.2744 6.2773 6.9259 6.9310 7.2975 7.3022 7.7866 7.8003 7.8222 7.8248 9.1389 9.1411 9.1671 9.1676 9.3159 9.3261 9.3828 9.4003 9.7714 9.7828 9.8521 9.8541 10.1730 10.1734 10.2858 10.2939 10.3917 10.3975 10.7373 10.7387 10.7796 10.7882 10.7947 10.8198 10.8748 10.8859 10.9022 10.9235 10.9889 11.0091 11.5566 11.5575 11.7502 11.7827 11.7833 11.7930 11.8763 11.9024 11.9774 11.9905 12.1927 12.2079 12.2661 12.2696 12.2904 12.2919 12.8561 12.8763 13.1822 13.1994 k = 0.1061 0.1837-0.0000 ( 3053 PWs) bands (ev): -0.9868 -0.9848 0.7619 0.7656 5.9301 5.9387 6.0679 6.0731 6.3021 6.3048 6.9290 6.9336 7.2649 7.2691 7.7692 7.7720 7.7981 7.8106 9.1512 9.1532 9.1812 9.1816 9.3118 9.3213 9.3855 9.4020 9.7761 9.7871 9.8474 9.8494 10.1988 10.1989 10.3269 10.3348 10.4056 10.4106 10.7231 10.7256 10.7781 10.7899 10.7904 10.8235 10.8737 10.8853 10.8969 10.9148 10.9744 10.9962 11.5413 11.5418 11.7281 11.7566 11.7844 11.7974 11.8817 11.9022 11.9754 11.9858 12.1897 12.2038 12.2602 12.2652 12.2761 12.2766 12.8818 12.9021 13.2007 13.2218 k = 0.0985 0.1706-0.0000 ( 3053 PWs) bands (ev): -1.0085 -1.0067 0.7791 0.7826 5.9274 5.9344 6.1048 6.1087 6.3309 6.3335 6.9316 6.9358 7.2321 7.2359 7.7242 7.7259 7.8010 7.8136 9.1632 9.1649 9.1941 9.1944 9.3074 9.3161 9.3887 9.4042 9.7805 9.7911 9.8431 9.8450 10.2242 10.2249 10.3676 10.3753 10.4195 10.4235 10.7085 10.7113 10.7749 10.7852 10.7904 10.8239 10.8688 10.8858 10.8998 10.9087 10.9625 10.9857 11.5250 11.5268 11.7003 11.7231 11.7884 11.8051 11.8899 11.9049 11.9743 11.9817 12.1867 12.1998 12.2519 12.2571 12.2643 12.2654 12.9074 12.9277 13.2102 13.2334 k = 0.0909 0.1575-0.0000 ( 3049 PWs) bands (ev): -1.0288 -1.0271 0.7952 0.7984 5.9150 5.9205 6.1529 6.1556 6.3609 6.3633 6.9338 6.9375 7.1990 7.2025 7.6771 7.6786 7.8054 7.8172 9.1747 9.1761 9.2057 9.2058 9.3026 9.3105 9.3923 9.4067 9.7849 9.7949 9.8393 9.8411 10.2493 10.2507 10.4070 10.4151 10.4338 10.4362 10.6943 10.6971 10.7692 10.7786 10.7894 10.8186 10.8681 10.8879 10.9040 10.9044 10.9544 10.9780 11.5086 11.5115 11.6692 11.6876 11.7937 11.8136 11.8994 11.9096 11.9741 11.9784 12.1837 12.1957 12.2421 12.2456 12.2556 12.2560 12.9330 12.9530 13.2124 13.2358 k = 0.0833 0.1443-0.0000 ( 3047 PWs) bands (ev): -1.0477 -1.0461 0.8100 0.8131 5.8992 5.9036 6.2055 6.2073 6.3918 6.3940 6.9352 6.9385 7.1658 7.1689 7.6298 7.6312 7.8097 7.8207 9.1857 9.1867 9.2160 9.2160 9.2976 9.3046 9.3964 9.4095 9.7892 9.7985 9.8360 9.8376 10.2739 10.2758 10.4405 10.4488 10.4528 10.4539 10.6807 10.6837 10.7608 10.7705 10.7869 10.8090 10.8718 10.8914 10.9013 10.9060 10.9515 10.9733 11.4924 11.4963 11.6365 11.6513 11.8000 11.8225 11.9096 11.9156 11.9750 11.9759 12.1804 12.1911 12.2320 12.2340 12.2456 12.2474 12.9584 12.9781 13.2095 13.2320 k = 0.0758 0.1312-0.0000 ( 3041 PWs) bands (ev): -1.0650 -1.0636 0.8237 0.8265 5.8828 5.8864 6.2600 6.2612 6.4235 6.4256 6.9357 6.9386 7.1323 7.1351 7.5827 7.5840 7.8138 7.8238 9.1959 9.1966 9.2248 9.2249 9.2924 9.2986 9.4006 9.4125 9.7935 9.8022 9.8333 9.8346 10.2977 10.3002 10.4578 10.4612 10.4867 10.4913 10.6681 10.6711 10.7505 10.7609 10.7830 10.7982 10.8763 10.8925 10.9022 10.9060 10.9539 10.9717 11.4765 11.4810 11.6032 11.6152 11.8071 11.8316 11.9200 11.9223 11.9746 11.9770 12.1767 12.1860 12.2224 12.2232 12.2350 12.2379 12.9836 13.0026 13.2038 13.2247 k = 0.0682 0.1181-0.0000 ( 3045 PWs) bands (ev): -1.0808 -1.0795 0.8361 0.8386 5.8669 5.8699 6.3152 6.3160 6.4560 6.4579 6.9349 6.9375 7.0987 7.1011 7.5362 7.5375 7.8175 7.8267 9.2055 9.2058 9.2323 9.2326 9.2872 9.2925 9.4050 9.4155 9.7978 9.8057 9.8311 9.8321 10.3204 10.3234 10.4715 10.4736 10.5221 10.5269 10.6565 10.6595 10.7389 10.7499 10.7780 10.7876 10.8785 10.8889 10.9072 10.9084 10.9600 10.9729 11.4609 11.4659 11.5701 11.5799 11.8146 11.8405 11.9295 11.9303 11.9747 11.9802 12.1724 12.1798 12.2132 12.2137 12.2234 12.2272 13.0082 13.0265 13.1966 13.2155 k = 0.0606 0.1050-0.0000 ( 3041 PWs) bands (ev): -1.0950 -1.0939 0.8472 0.8495 5.8521 5.8546 6.3705 6.3710 6.4891 6.4909 6.9327 6.9350 7.0650 7.0671 7.4909 7.4921 7.8210 7.8292 9.2143 9.2143 9.2386 9.2389 9.2822 9.2867 9.4093 9.4186 9.8021 9.8091 9.8293 9.8300 10.3418 10.3453 10.4848 10.4858 10.5557 10.5602 10.6461 10.6491 10.7267 10.7378 10.7724 10.7779 10.8768 10.8839 10.9118 10.9161 10.9678 10.9763 11.4459 11.4512 11.5379 11.5459 11.8226 11.8492 11.9369 11.9402 11.9768 11.9849 12.1672 12.1722 12.2042 12.2064 12.2112 12.2158 13.0321 13.0493 13.1890 13.2059 k = 0.0530 0.0919-0.0000 ( 3041 PWs) bands (ev): -1.1077 -1.1066 0.8571 0.8592 5.8386 5.8406 6.4254 6.4257 6.5227 6.5243 6.9286 6.9305 7.0312 7.0330 7.4473 7.4483 7.8242 7.8314 9.2219 9.2221 9.2437 9.2441 9.2776 9.2812 9.4135 9.4216 9.8062 9.8123 9.8280 9.8284 10.3617 10.3654 10.4977 10.4980 10.5866 10.5904 10.6372 10.6400 10.7143 10.7251 10.7663 10.7691 10.8728 10.8784 10.9190 10.9242 10.9763 10.9815 11.4316 11.4369 11.5074 11.5139 11.8307 11.8570 11.9445 11.9492 11.9814 11.9908 12.1606 12.1630 12.1957 12.1979 12.2013 12.2048 13.0549 13.0709 13.1818 13.1965 k = 0.0455 0.0787-0.0000 ( 3041 PWs) bands (ev): -1.1186 -1.1178 0.8657 0.8675 5.8267 5.8283 6.4794 6.4796 6.5565 6.5580 6.9219 6.9235 6.9975 6.9989 7.4061 7.4071 7.8271 7.8333 9.2284 9.2289 9.2476 9.2480 9.2736 9.2764 9.4174 9.4242 9.8101 9.8153 9.8272 9.8272 10.3798 10.3837 10.5100 10.5104 10.6128 10.6140 10.6330 10.6338 10.7022 10.7124 10.7602 10.7612 10.8682 10.8730 10.9272 10.9323 10.9849 10.9877 11.4181 11.4233 11.4792 11.4843 11.8386 11.8636 11.9521 11.9572 11.9885 11.9978 12.1523 12.1524 12.1855 12.1859 12.1965 12.1967 13.0763 13.0905 13.1755 13.1880 k = 0.0379 0.0656-0.0000 ( 3045 PWs) bands (ev): -1.1280 -1.1273 0.8731 0.8745 5.8164 5.8178 6.5321 6.5322 6.5905 6.5917 6.9123 6.9135 6.9639 6.9650 7.3685 7.3693 7.8296 7.8348 9.2340 9.2347 9.2503 9.2508 9.2705 9.2724 9.4210 9.4266 9.8137 9.8178 9.8262 9.8266 10.3959 10.3996 10.5219 10.5226 10.6162 10.6197 10.6444 10.6476 10.6906 10.7000 10.7542 10.7542 10.8637 10.8678 10.9355 10.9400 10.9931 10.9944 11.4057 11.4103 11.4541 11.4580 11.8461 11.8688 11.9598 11.9644 11.9979 12.0059 12.1407 12.1427 12.1732 12.1744 12.1916 12.1933 13.0955 13.1077 13.1707 13.1807 k = 0.0303 0.0525-0.0000 ( 3049 PWs) bands (ev): -1.1356 -1.1350 0.8791 0.8803 5.8080 5.8090 6.5827 6.5827 6.6243 6.6254 6.8989 6.8998 6.9310 6.9317 7.3355 7.3362 7.8318 7.8360 9.2385 9.2393 9.2517 9.2523 9.2686 9.2697 9.4241 9.4285 9.8169 9.8198 9.8256 9.8264 10.4096 10.4130 10.5335 10.5343 10.6107 10.6144 10.6642 10.6671 10.6804 10.6884 10.7481 10.7485 10.8597 10.8631 10.9432 10.9468 11.0004 11.0010 11.3943 11.3980 11.4329 11.4356 11.8530 11.8723 11.9673 11.9712 12.0087 12.0147 12.1283 12.1318 12.1620 12.1629 12.1886 12.1907 13.1118 13.1213 13.1678 13.1751 k = 0.0227 0.0394-0.0000 ( 3037 PWs) bands (ev): -1.1415 -1.1411 0.8838 0.8847 5.8013 5.8021 6.6298 6.6298 6.6578 6.6588 6.8812 6.8816 6.8997 6.8999 7.3083 7.3089 7.8337 7.8368 9.2420 9.2429 9.2522 9.2527 9.2679 9.2684 9.4268 9.4300 9.8196 9.8213 9.8253 9.8264 10.4209 10.4237 10.5444 10.5451 10.6053 10.6087 10.6705 10.6779 10.6823 10.6835 10.7431 10.7435 10.8566 10.8592 10.9501 10.9527 11.0069 11.0071 11.3843 11.3868 11.4167 11.4182 11.8591 11.8742 11.9745 11.9775 12.0202 12.0240 12.1160 12.1203 12.1523 12.1528 12.1869 12.1887 13.1245 13.1307 13.1675 13.1718 k = 0.0152 0.0262-0.0000 ( 3023 PWs) bands (ev): -1.1458 -1.1455 0.8873 0.8878 5.7967 5.7972 6.6708 6.6708 6.6907 6.6915 6.8583 6.8583 6.8722 6.8725 7.2880 7.2884 7.8351 7.8372 9.2442 9.2449 9.2522 9.2526 9.2679 9.2680 9.4287 9.4309 9.8216 9.8222 9.8252 9.8265 10.4293 10.4314 10.5544 10.5548 10.6005 10.6033 10.6644 10.6697 10.6948 10.6955 10.7392 10.7394 10.8545 10.8562 10.9556 10.9573 11.0120 11.0120 11.3761 11.3774 11.4058 11.4063 11.8643 11.8746 11.9805 11.9826 12.0314 12.0331 12.1045 12.1087 12.1447 12.1448 12.1859 12.1872 13.1329 13.1359 13.1695 13.1710 k = 0.0076 0.0131-0.0000 ( 3023 PWs) bands (ev): -1.1483 -1.1481 0.8894 0.8897 5.7940 5.7942 6.7001 6.7001 6.7212 6.7217 6.8335 6.8336 6.8516 6.8519 7.2755 7.2757 7.8362 7.8373 9.2453 9.2458 9.2523 9.2525 9.2680 9.2680 9.4301 9.4312 9.8227 9.8227 9.8255 9.8264 10.4347 10.4358 10.5619 10.5620 10.5968 10.5985 10.6609 10.6636 10.7028 10.7031 10.7365 10.7366 10.8533 10.8541 10.9592 10.9600 11.0152 11.0152 11.3703 11.3708 11.3994 11.3995 11.8685 11.8737 11.9848 11.9859 12.0404 12.0407 12.0958 12.0986 12.1397 12.1397 12.1855 12.1862 13.1370 13.1379 13.1715 13.1717 k = 0.0000 0.0000 0.0000 ( 3017 PWs) bands (ev): -1.1491 -1.1491 0.8902 0.8902 5.7932 5.7932 6.7113 6.7113 6.7366 6.7366 6.8208 6.8208 6.8431 6.8431 7.2714 7.2714 7.8369 7.8369 9.2458 9.2458 9.2525 9.2525 9.2681 9.2681 9.4310 9.4310 9.8229 9.8229 9.8261 9.8261 10.4369 10.4369 10.5650 10.5650 10.5958 10.5958 10.6607 10.6607 10.7057 10.7057 10.7355 10.7355 10.8531 10.8531 10.9607 10.9607 11.0163 11.0163 11.3684 11.3684 11.3974 11.3974 11.8717 11.8717 11.9867 11.9867 12.0441 12.0441 12.0933 12.0933 12.1380 12.1380 12.1856 12.1856 13.1383 13.1383 13.1724 13.1724 k = 0.0000 0.0000 0.0000 ( 3017 PWs) bands (ev): -1.1491 -1.1491 0.8902 0.8902 5.7932 5.7932 6.7113 6.7113 6.7366 6.7366 6.8208 6.8208 6.8431 6.8431 7.2714 7.2714 7.8369 7.8369 9.2458 9.2458 9.2525 9.2525 9.2681 9.2681 9.4310 9.4310 9.8229 9.8229 9.8261 9.8261 10.4369 10.4369 10.5650 10.5650 10.5958 10.5958 10.6607 10.6607 10.7057 10.7057 10.7355 10.7355 10.8531 10.8531 10.9607 10.9607 11.0163 11.0163 11.3684 11.3684 11.3974 11.3974 11.8717 11.8717 11.9867 11.9867 12.0441 12.0441 12.0933 12.0933 12.1380 12.1380 12.1856 12.1856 13.1383 13.1383 13.1724 13.1724 k = 0.0000 0.0000 0.0148 ( 3023 PWs) bands (ev): -1.1483 -1.1480 0.8890 0.8896 5.7930 5.7933 6.6813 6.7061 6.7416 6.7673 6.7908 6.8129 6.8509 6.8734 7.2678 7.2684 7.8393 7.8410 9.2419 9.2459 9.2465 9.2568 9.2642 9.2805 9.4315 9.4319 9.8218 9.8229 9.8243 9.8296 10.4349 10.4384 10.5632 10.5648 10.5948 10.5954 10.6578 10.6613 10.7018 10.7067 10.7255 10.7441 10.8401 10.8639 10.9596 10.9652 11.0166 11.0187 11.3539 11.3824 11.3848 11.4139 11.8698 11.8719 11.9821 11.9911 12.0401 12.0478 12.0914 12.0952 12.1359 12.1400 12.1830 12.1849 13.1199 13.1544 13.1565 13.1901 k = 0.0000 0.0000 0.0296 ( 3011 PWs) bands (ev): -1.1457 -1.1452 0.8862 0.8873 5.7931 5.7935 6.6517 6.6760 6.7610 6.7722 6.7828 6.7985 6.8811 6.9039 7.2580 7.2591 7.8479 7.8511 9.2325 9.2469 9.2469 9.2479 9.2771 9.2942 9.4336 9.4343 9.8203 9.8213 9.8260 9.8334 10.4325 10.4393 10.5597 10.5626 10.5925 10.5937 10.6530 10.6597 10.6952 10.7048 10.7139 10.7511 10.8249 10.8722 10.9621 10.9730 11.0195 11.0236 11.3417 11.3695 11.4033 11.4322 11.8662 11.8705 11.9775 11.9954 12.0359 12.0512 12.0899 12.0974 12.1339 12.1420 12.1772 12.1811 13.1015 13.1365 13.1749 13.2080 k = 0.0000 0.0000 0.0444 ( 3023 PWs) bands (ev): -1.1414 -1.1406 0.8815 0.8832 5.7931 5.7938 6.6224 6.6462 6.7314 6.7530 6.8029 6.8296 6.9113 6.9343 7.2424 7.2439 7.8621 7.8668 9.2243 9.2380 9.2485 9.2501 9.2910 9.3088 9.4371 9.4381 9.8180 9.8211 9.8280 9.8374 10.4295 10.4397 10.5542 10.5582 10.5888 10.5907 10.6464 10.6555 10.6858 10.7000 10.7009 10.7565 10.8077 10.8782 10.9680 10.9836 11.0249 11.0310 11.3316 11.3584 11.4236 11.4519 11.8609 11.8673 11.9726 11.9992 12.0314 12.0541 12.0883 12.0996 12.1316 12.1437 12.1681 12.1741 13.0828 13.1182 13.1934 13.2261 k = 0.0000 0.0000 0.0592 ( 3029 PWs) bands (ev): -1.1353 -1.1342 0.8752 0.8775 5.7934 5.7942 6.5936 6.6169 6.7021 6.7234 6.8337 6.8609 6.9414 6.9646 7.2220 7.2237 7.8812 7.8873 9.2173 9.2305 9.2509 9.2529 9.3060 9.3245 9.4420 9.4434 9.8162 9.8212 9.8301 9.8417 10.4262 10.4397 10.5474 10.5523 10.5836 10.5864 10.6390 10.6495 10.6738 10.6865 10.6924 10.7605 10.7888 10.8820 10.9774 10.9967 11.0329 11.0408 11.3237 11.3493 11.4453 11.4728 11.8537 11.8624 11.9677 12.0028 12.0266 12.0566 12.0869 12.1018 12.1292 12.1452 12.1560 12.1640 13.0636 13.0995 13.2122 13.2444 k = 0.0000 0.0000 0.0740 ( 3059 PWs) bands (ev): -1.1275 -1.1261 0.8671 0.8699 5.7937 5.7948 6.5653 6.5881 6.6731 6.6942 6.8645 6.8921 6.9714 6.9948 7.1974 7.1992 7.9043 7.9115 9.2115 9.2242 9.2536 9.2562 9.3218 9.3412 9.4483 9.4499 9.8147 9.8218 9.8322 9.8458 10.4223 10.4390 10.5394 10.5446 10.5770 10.5808 10.6308 10.6418 10.6593 10.6708 10.6820 10.7628 10.7684 10.8833 10.9894 11.0116 11.0430 11.0524 11.3177 11.3420 11.4683 11.4947 11.8445 11.8555 11.9627 12.0058 12.0216 12.0586 12.0856 12.1041 12.1266 12.1409 12.1466 12.1509 13.0441 13.0805 13.2316 13.2633 k = 0.0000 0.0000 0.0888 ( 3059 PWs) bands (ev): -1.1179 -1.1162 0.8573 0.8606 5.7943 5.7956 6.5376 6.5599 6.6445 6.6653 6.8955 6.9235 7.0013 7.0249 7.1697 7.1715 7.9308 7.9391 9.2072 9.2193 9.2574 9.2605 9.3388 9.3590 9.4561 9.4579 9.8140 9.8230 9.8345 9.8502 10.4182 10.4379 10.5306 10.5359 10.5691 10.5740 10.6225 10.6332 10.6425 10.6541 10.6690 10.7469 10.7636 10.8827 11.0040 11.0283 11.0553 11.0660 11.3139 11.3368 11.4925 11.5177 11.8335 11.8469 11.9578 12.0085 12.0166 12.0602 12.0844 12.1065 12.1230 12.1240 12.1352 12.1479 13.0243 13.0613 13.2518 13.2829 k = 0.0000 0.0000 0.1036 ( 3059 PWs) bands (ev): -1.1065 -1.1046 0.8458 0.8497 5.7950 5.7965 6.5105 6.5324 6.6163 6.6368 6.9263 6.9547 7.0310 7.0548 7.1395 7.1411 7.9599 7.9691 9.2041 9.2156 9.2619 9.2655 9.3566 9.3778 9.4653 9.4673 9.8139 9.8248 9.8366 9.8543 10.4136 10.4364 10.5211 10.5260 10.5599 10.5659 10.6139 10.6235 10.6238 10.6366 10.6535 10.7246 10.7630 10.8801 11.0207 11.0463 11.0696 11.0813 11.3120 11.3336 11.5173 11.5412 11.8201 11.8361 11.9530 12.0106 12.0115 12.0614 12.0834 12.1023 12.1090 12.1169 12.1213 12.1491 13.0040 13.0415 13.2729 13.3033 k = 0.0000 0.0000 0.1184 ( 3053 PWs) bands (ev): -1.0934 -1.0912 0.8326 0.8370 5.7961 5.7978 6.4841 6.5055 6.5886 6.6088 6.9570 6.9855 7.0604 7.0844 7.1074 7.1086 7.9912 8.0011 9.2023 9.2134 9.2670 9.2711 9.3754 9.3975 9.4759 9.4779 9.8143 9.8270 9.8388 9.8585 10.4090 10.4345 10.5111 10.5153 10.5498 10.5567 10.6025 10.6051 10.6138 10.6185 10.6356 10.7017 10.7609 10.8758 11.0393 11.0656 11.0858 11.0981 11.3119 11.3322 11.5426 11.5652 11.8049 11.8234 11.9482 12.0063 12.0120 12.0620 12.0795 12.0824 12.0967 12.1115 12.1184 12.1500 12.9831 13.0214 13.2951 13.3248 k = 0.0000 0.0000 0.1332 ( 3054 PWs) bands (ev): -1.0785 -1.0761 0.8177 0.8226 5.7973 5.7992 6.4584 6.4793 6.5614 6.5813 6.9875 7.0155 7.0744 7.0745 7.0894 7.1136 8.0241 8.0347 9.2019 9.2125 9.2726 9.2773 9.3949 9.4180 9.4877 9.4898 9.8152 9.8298 9.8408 9.8623 10.4038 10.4320 10.5007 10.5038 10.5388 10.5463 10.5797 10.5960 10.5998 10.6034 10.6155 10.6786 10.7574 10.8698 11.0594 11.0858 11.1035 11.1160 11.3135 11.3325 11.5678 11.5891 11.7875 11.8088 11.9436 12.0010 12.0122 12.0545 12.0621 12.0750 12.0813 12.1140 12.1153 12.1508 12.9617 13.0007 13.3185 13.3474 k = 0.0000 0.0000 0.1480 ( 3054 PWs) bands (ev): -1.0620 -1.0593 0.8012 0.8066 5.7989 5.8009 6.4335 6.4539 6.5347 6.5544 7.0177 7.0309 7.0391 7.0545 7.1180 7.1424 8.0584 8.0696 9.2029 9.2130 9.2789 9.2840 9.4152 9.4394 9.5008 9.5028 9.8168 9.8331 9.8426 9.8659 10.3985 10.4290 10.4901 10.4918 10.5273 10.5350 10.5553 10.5809 10.5867 10.5927 10.5934 10.6554 10.7526 10.8624 11.0807 11.1067 11.1226 11.1350 11.3167 11.3346 11.5928 11.6128 11.7681 11.7921 11.9392 11.9958 12.0100 12.0277 12.0534 12.0617 12.0803 12.1120 12.1164 12.1513 12.9397 12.9795 13.3433 13.3714 k = 0.0000 0.0000 0.1627 ( 3036 PWs) bands (ev): -1.0438 -1.0408 0.7830 0.7889 5.8007 5.8029 6.4093 6.4293 6.5086 6.5280 6.9998 7.0029 7.0477 7.0799 7.1462 7.1708 8.0937 8.1056 9.2054 9.2149 9.2859 9.2915 9.4363 9.4616 9.5151 9.5171 9.8190 9.8371 9.8441 9.8691 10.3929 10.4255 10.4795 10.4795 10.5154 10.5231 10.5297 10.5620 10.5695 10.5770 10.5818 10.6324 10.7466 10.8536 11.1031 11.1283 11.1430 11.1550 11.3215 11.3384 11.6172 11.6360 11.7468 11.7738 11.9350 11.9908 11.9993 12.0013 12.0365 12.0609 12.0793 12.1087 12.1188 12.1516 12.9171 12.9578 13.3698 13.3969 k = 0.0000 0.0000 0.1775 ( 3036 PWs) bands (ev): -1.0240 -1.0208 0.7632 0.7695 5.8030 5.8053 6.3859 6.4055 6.4831 6.5022 6.9635 6.9658 7.0772 7.1091 7.1737 7.1985 8.1301 8.1424 9.2091 9.2182 9.2931 9.2991 9.4580 9.4844 9.5306 9.5322 9.8217 9.8414 9.8451 9.8717 10.3869 10.4213 10.4669 10.4687 10.5031 10.5032 10.5105 10.5432 10.5440 10.5668 10.5706 10.6098 10.7393 10.8435 11.1264 11.1505 11.1645 11.1757 11.3279 11.3437 11.6407 11.6585 11.7235 11.7534 11.9306 11.9697 11.9814 11.9858 12.0284 12.0594 12.0781 12.1051 12.1210 12.1516 12.8939 12.9356 13.3981 13.4240 k = 0.0000 0.0000 0.1923 ( 3036 PWs) bands (ev): -1.0026 -0.9991 0.7418 0.7485 5.8057 5.8082 6.3633 6.3824 6.4582 6.4771 6.9263 6.9281 7.1061 7.1382 7.2006 7.2256 8.1672 8.1799 9.2143 9.2228 9.3008 9.3072 9.4804 9.5080 9.5471 9.5484 9.8249 9.8456 9.8463 9.8737 10.3806 10.4158 10.4542 10.4581 10.4763 10.4909 10.4976 10.5173 10.5246 10.5563 10.5591 10.5877 10.7310 10.8323 11.1504 11.1731 11.1869 11.1970 11.3359 11.3507 11.6631 11.6801 11.6984 11.7316 11.9240 11.9413 11.9549 11.9809 12.0252 12.0575 12.0768 12.1014 12.1231 12.1513 12.8702 12.9129 13.4283 13.4531 k = 0.0000 0.0000 0.2071 ( 3048 PWs) bands (ev): -0.9796 -0.9758 0.7188 0.7259 5.8088 5.8114 6.3414 6.3602 6.4340 6.4525 6.8885 6.8901 7.1345 7.1668 7.2268 7.2520 8.2049 8.2180 9.2207 9.2287 9.3087 9.3156 9.5032 9.5321 9.5646 9.5655 9.8286 9.8454 9.8516 9.8749 10.3735 10.4075 10.4414 10.4475 10.4509 10.4785 10.4845 10.4899 10.5064 10.5454 10.5474 10.5664 10.7216 10.8201 11.1751 11.1961 11.2101 11.2189 11.3454 11.3592 11.6717 11.6833 11.7005 11.7092 11.9013 11.9254 11.9280 11.9761 12.0232 12.0548 12.0751 12.0972 12.1249 12.1505 12.8459 12.8899 13.4607 13.4842 k = 0.0000 0.0000 0.2219 ( 3048 PWs) bands (ev): -0.9551 -0.9511 0.6942 0.7017 5.8125 5.8152 6.3206 6.3389 6.4105 6.4287 6.8505 6.8519 7.1622 7.1949 7.2523 7.2777 8.2433 8.2566 9.2286 9.2361 9.3168 9.3241 9.5265 9.5567 9.5831 9.5833 9.8329 9.8448 9.8573 9.8755 10.3653 10.3926 10.4288 10.4309 10.4372 10.4624 10.4661 10.4713 10.4888 10.5341 10.5355 10.5461 10.7112 10.8069 11.2004 11.2195 11.2341 11.2412 11.3564 11.3693 11.6438 11.6807 11.7070 11.7196 11.8690 11.8945 11.9240 11.9717 12.0216 12.0518 12.0733 12.0930 12.1266 12.1496 12.8212 12.8666 13.4954 13.5175 k = 0.0000 0.0000 0.2367 ( 3048 PWs) bands (ev): -0.9291 -0.9248 0.6681 0.6760 5.8168 5.8196 6.3006 6.3185 6.3877 6.4057 6.8124 6.8136 7.1893 7.2222 7.2769 7.3025 8.2822 8.2957 9.2379 9.2448 9.3251 9.3327 9.5503 9.5819 9.6019 9.6024 9.8376 9.8434 9.8635 9.8752 10.3549 10.3690 10.4164 10.4187 10.4271 10.4362 10.4538 10.4581 10.4718 10.5224 10.5233 10.5268 10.7000 10.7929 11.2260 11.2431 11.2587 11.2639 11.3689 11.3808 11.6149 11.6561 11.7244 11.7374 11.8352 11.8626 11.9214 11.9675 12.0199 12.0484 12.0713 12.0886 12.1281 12.1483 12.7962 12.8430 13.5325 13.5531 k = 0.0000 0.0000 0.2515 ( 3054 PWs) bands (ev): -0.9016 -0.8970 0.6406 0.6487 5.8217 5.8246 6.2815 6.2991 6.3656 6.3834 6.7742 6.7753 7.2156 7.2488 7.3006 7.3264 8.3214 8.3351 9.2485 9.2547 9.3333 9.3412 9.5744 9.6075 9.6211 9.6225 9.8413 9.8427 9.8701 9.8740 10.3404 10.3405 10.4042 10.4104 10.4131 10.4173 10.4415 10.4450 10.4554 10.5088 10.5105 10.5110 10.6879 10.7780 11.2521 11.2670 11.2837 11.2868 11.3828 11.3937 11.5852 11.6298 11.7411 11.7536 11.8006 11.8301 11.9194 11.9636 12.0179 12.0444 12.0688 12.0839 12.1293 12.1466 12.7709 12.8193 13.5721 13.5912 k = 0.0000 0.0000 0.2663 ( 3048 PWs) bands (ev): -0.8728 -0.8679 0.6116 0.6200 5.8273 5.8303 6.2634 6.2806 6.3444 6.3618 6.7361 6.7371 7.2411 7.2745 7.3233 7.3495 8.3612 8.3750 9.2604 9.2660 9.3414 9.3496 9.5988 9.6333 9.6409 9.6432 9.8383 9.8483 9.8719 9.8770 10.3099 10.3205 10.3924 10.3953 10.4032 10.4079 10.4294 10.4321 10.4400 10.4924 10.4984 10.4985 10.6752 10.7626 11.2786 11.2913 11.3094 11.3103 11.3982 11.4081 11.5551 11.6029 11.7563 11.7656 11.7682 11.7972 11.9181 11.9601 12.0158 12.0402 12.0661 12.0791 12.1302 12.1445 12.7454 12.7956 13.5889 13.6065 k = 0.0000 0.0000 0.2811 ( 3048 PWs) bands (ev): -0.8425 -0.8374 0.5812 0.5899 5.8336 5.8366 6.2462 6.2631 6.3239 6.3412 6.6982 6.6990 7.2657 7.2993 7.3451 7.3714 8.4014 8.4152 9.2735 9.2784 9.3492 9.3575 9.6233 9.6595 9.6611 9.6646 9.8346 9.8542 9.8687 9.8843 10.2788 10.2950 10.3809 10.3827 10.3960 10.3987 10.4173 10.4194 10.4253 10.4775 10.4861 10.4861 10.6616 10.7464 11.3051 11.3155 11.3336 11.3351 11.4148 11.4236 11.5249 11.5758 11.7305 11.7641 11.7698 11.7811 11.9173 11.9571 12.0134 12.0356 12.0629 12.0740 12.1309 12.1421 12.7200 12.7721 13.5379 13.5545 k = 0.0000 0.0000 0.2959 ( 3048 PWs) bands (ev): -0.8109 -0.8055 0.5494 0.5584 5.8407 5.8437 6.2300 6.2466 6.3043 6.3213 6.6604 6.6613 7.2894 7.3232 7.3657 7.3924 8.4420 8.4557 9.2879 9.2920 9.3565 9.3648 9.6479 9.6817 9.6857 9.6864 9.8300 9.8604 9.8646 9.8918 10.2475 10.2659 10.3699 10.3738 10.3883 10.3899 10.4053 10.4070 10.4115 10.4644 10.4736 10.4738 10.6474 10.7297 11.3317 11.3398 11.3570 11.3610 11.4324 11.4402 11.4950 11.5488 11.6953 11.7310 11.7816 11.7923 11.9170 11.9544 12.0108 12.0306 12.0593 12.0686 12.1312 12.1393 12.6947 12.7488 13.4865 13.5018 k = 0.0000 0.0000 0.3107 ( 3048 PWs) bands (ev): -0.7781 -0.7724 0.5164 0.5255 5.8487 5.8517 6.2149 6.2311 6.2856 6.3023 6.6230 6.6238 7.3121 7.3461 7.3853 7.4122 8.4829 8.4965 9.3034 9.3067 9.3630 9.3713 9.6724 9.7024 9.7086 9.7120 9.8245 9.8593 9.8668 9.8995 10.2166 10.2349 10.3593 10.3669 10.3800 10.3815 10.3933 10.3948 10.3986 10.4531 10.4614 10.4615 10.6325 10.7124 11.3584 11.3641 11.3804 11.3870 11.4488 11.4579 11.4678 11.5222 11.6603 11.6981 11.7918 11.8019 11.9174 11.9523 12.0079 12.0254 12.0552 12.0629 12.1311 12.1360 12.6699 12.7261 13.4347 13.4486 k = 0.0000 0.0000 0.3255 ( 3048 PWs) bands (ev): -0.7441 -0.7381 0.4821 0.4914 5.8574 5.8604 6.2007 6.2167 6.2677 6.2842 6.5860 6.5868 7.3339 7.3680 7.4036 7.4308 8.5241 8.5375 9.3199 9.3225 9.3684 9.3767 9.6968 9.7232 9.7310 9.7383 9.8181 9.8530 9.8735 9.9074 10.1863 10.2033 10.3494 10.3612 10.3711 10.3734 10.3815 10.3830 10.3865 10.4435 10.4494 10.4495 10.6171 10.6947 11.3850 11.3884 11.4038 11.4131 11.4338 11.4738 11.4763 11.4962 11.6257 11.6656 11.8002 11.8098 11.9183 11.9506 12.0049 12.0201 12.0506 12.0569 12.1306 12.1322 12.6458 12.7042 13.3826 13.3948 k = 0.0000 0.0000 0.3403 ( 3048 PWs) bands (ev): -0.7089 -0.7027 0.4466 0.4561 5.8671 5.8701 6.1876 6.2032 6.2507 6.2670 6.5494 6.5502 7.3545 7.3887 7.4207 7.4483 8.5656 8.5788 9.3375 9.3391 9.3726 9.3806 9.7208 9.7439 9.7535 9.7642 9.8107 9.8456 9.8802 9.9154 10.1569 10.1718 10.3401 10.3562 10.3618 10.3658 10.3697 10.3716 10.3755 10.4352 10.4377 10.4382 10.6011 10.6766 11.4065 11.4115 11.4127 11.4272 11.4392 11.4711 11.4937 11.4954 11.5915 11.6336 11.8071 11.8161 11.9198 11.9495 12.0018 12.0146 12.0455 12.0506 12.1280 12.1296 12.6226 12.6833 13.3302 13.3408 k = 0.0000 0.0000 0.3551 ( 3036 PWs) bands (ev): -0.6725 -0.6661 0.4100 0.4197 5.8777 5.8806 6.1755 6.1909 6.2346 6.2507 6.5134 6.5142 7.3741 7.4084 7.4366 7.4645 8.6074 8.6202 9.3562 9.3568 9.3752 9.3828 9.7446 9.7645 9.7760 9.7900 9.8025 9.8371 9.8872 9.9236 10.1291 10.1411 10.3316 10.3517 10.3524 10.3581 10.3586 10.3605 10.3653 10.4263 10.4275 10.4281 10.5846 10.6582 11.3801 11.4367 11.4378 11.4473 11.4503 11.4650 11.5147 11.5149 11.5582 11.6024 11.8123 11.8208 11.9219 11.9490 11.9986 12.0090 12.0401 12.0440 12.1233 12.1280 12.6009 12.6637 13.2779 13.2865 k = 0.0000 0.0000 0.3699 ( 3048 PWs) bands (ev): -0.6352 -0.6285 0.3724 0.3821 5.8893 5.8922 6.1643 6.1795 6.2194 6.2353 6.4778 6.4787 7.3925 7.4268 7.4512 7.4794 8.6493 8.6618 9.3750 9.3755 9.3756 9.3827 9.7676 9.7846 9.7932 9.7981 9.8151 9.8274 9.8940 9.9316 10.1029 10.1116 10.3239 10.3430 10.3466 10.3472 10.3498 10.3517 10.3561 10.4154 10.4177 10.4216 10.5676 10.6395 11.3548 11.4245 11.4603 11.4637 11.4732 11.4907 11.5255 11.5345 11.5359 11.5719 11.8159 11.8241 11.9246 11.9490 11.9953 12.0035 12.0342 12.0370 12.1179 12.1257 12.5809 12.6458 13.2257 13.2320 k = 0.0000 0.0000 0.3847 ( 3048 PWs) bands (ev): -0.5969 -0.5900 0.3338 0.3436 5.9019 5.9047 6.1543 6.1692 6.2052 6.2209 6.4429 6.4438 7.4099 7.4442 7.4644 7.4929 8.6915 8.7034 9.3737 9.3802 9.3940 9.3956 9.7831 9.7898 9.8042 9.8166 9.8199 9.8394 9.9008 9.9396 10.0789 10.0839 10.3173 10.3341 10.3354 10.3396 10.3429 10.3452 10.3478 10.4052 10.4091 10.4156 10.5501 10.6206 11.3316 11.4035 11.4812 11.4888 11.4957 11.4964 11.5160 11.5431 11.5539 11.5571 11.8179 11.8259 11.9279 11.9497 11.9921 11.9980 12.0280 12.0299 12.1120 12.1225 12.5633 12.6299 13.1737 13.1777 k = 0.0000 0.0000 0.3995 ( 3048 PWs) bands (ev): -0.5577 -0.5506 0.2943 0.3041 5.9156 5.9182 6.1454 6.1600 6.1920 6.2076 6.4086 6.4097 7.4260 7.4603 7.4763 7.5052 8.7337 8.7451 9.3690 9.3748 9.4135 9.4163 9.7720 9.8049 9.8110 9.8231 9.8410 9.8628 9.9074 9.9475 10.0572 10.0583 10.3118 10.3246 10.3256 10.3300 10.3387 10.3390 10.3406 10.3956 10.4017 10.4098 10.5324 10.6015 11.3104 11.3843 11.4616 11.5053 11.5086 11.5177 11.5237 11.5410 11.5728 11.5778 11.8184 11.8264 11.9319 11.9511 11.9890 11.9928 12.0216 12.0226 12.1054 12.1184 12.5485 12.6165 13.1223 13.1236 k = 0.0000 0.0000 0.4143 ( 3054 PWs) bands (ev): -0.5177 -0.5103 0.2539 0.2638 5.9302 5.9328 6.1375 6.1519 6.1796 6.1951 6.3750 6.3762 7.4409 7.4751 7.4868 7.5160 8.7760 8.7868 9.3612 9.3662 9.4333 9.4375 9.7600 9.7919 9.8311 9.8411 9.8612 9.8851 9.9137 9.9551 10.0352 10.0382 10.3075 10.3143 10.3177 10.3210 10.3329 10.3343 10.3345 10.3869 10.3958 10.4040 10.5143 10.5824 11.2915 11.3671 11.4326 11.4846 11.5308 11.5391 11.5424 11.5655 11.5910 11.5976 11.8173 11.8254 11.9366 11.9532 11.9859 11.9876 12.0150 12.0150 12.0981 12.1130 12.5373 12.6060 13.0700 13.0715 k = 0.0000 0.0000 0.4291 ( 3054 PWs) bands (ev): -0.4769 -0.4693 0.2128 0.2227 5.9460 5.9484 6.1307 6.1449 6.1684 6.1837 6.3422 6.3436 7.4547 7.4888 7.4959 7.5255 8.8182 8.8284 9.3500 9.3542 9.4536 9.4591 9.7472 9.7781 9.8497 9.8581 9.8803 9.9058 9.9197 9.9624 10.0149 10.0220 10.3048 10.3048 10.3105 10.3129 10.3273 10.3294 10.3298 10.3791 10.3916 10.3982 10.4959 10.5634 11.2752 11.3522 11.4048 11.4596 11.5525 11.5596 11.5662 11.5895 11.6080 11.6160 11.8146 11.8231 11.9419 11.9560 11.9830 11.9831 12.0076 12.0086 12.0902 12.1064 12.5301 12.5988 13.0170 13.0218 k = 0.0000 0.0000 0.4439 ( 3066 PWs) bands (ev): -0.4355 -0.4276 0.1711 0.1809 5.9628 5.9651 6.1249 6.1389 6.1581 6.1734 6.3101 6.3117 7.4671 7.5011 7.5037 7.5336 8.8604 8.8698 9.3351 9.3387 9.4742 9.4811 9.7335 9.7632 9.8666 9.8739 9.8978 9.9248 9.9252 9.9693 9.9974 10.0086 10.2962 10.3039 10.3040 10.3057 10.3223 10.3248 10.3250 10.3721 10.3893 10.3922 10.4774 10.5446 11.2616 11.3395 11.3784 11.4358 11.5735 11.5791 11.5899 11.6129 11.6235 11.6327 11.8103 11.8194 11.9479 11.9596 11.9785 11.9804 12.0002 12.0022 12.0813 12.0981 12.5275 12.5953 12.9650 12.9731 k = 0.0000 0.0000 0.4587 ( 3078 PWs) bands (ev): -0.3934 -0.3854 0.1287 0.1385 5.9807 5.9827 6.1202 6.1340 6.1488 6.1640 6.2789 6.2807 7.4783 7.5100 7.5121 7.5403 8.9023 8.9109 9.3166 9.3196 9.4948 9.5033 9.7188 9.7472 9.8817 9.8882 9.9138 9.9300 9.9418 9.9756 9.9828 9.9979 10.2888 10.2981 10.2997 10.3048 10.3181 10.3201 10.3207 10.3662 10.3860 10.3890 10.4588 10.5260 11.2509 11.3293 11.3535 11.4134 11.5933 11.5973 11.6131 11.6355 11.6372 11.6472 11.8043 11.8142 11.9548 11.9641 11.9747 11.9782 11.9933 11.9964 12.0719 12.0885 12.5299 12.5959 12.9141 12.9260 k = 0.0000 0.0000 0.4735 ( 3078 PWs) bands (ev): -0.3508 -0.3425 0.0859 0.0956 5.9997 6.0015 6.1166 6.1301 6.1405 6.1558 6.2485 6.2507 7.4883 7.5149 7.5219 7.5456 8.9438 8.9517 9.2947 9.2973 9.5155 9.5256 9.7035 9.7305 9.8948 9.9011 9.9277 9.9341 9.9565 9.9708 9.9813 9.9896 10.2828 10.2928 10.2949 10.3079 10.3146 10.3150 10.3172 10.3614 10.3799 10.3907 10.4404 10.5079 11.2431 11.3216 11.3307 11.3930 11.6117 11.6140 11.6355 11.6487 11.6573 11.6591 11.7966 11.8076 11.9627 11.9696 11.9718 11.9766 11.9871 11.9913 12.0622 12.0779 12.5376 12.6007 12.8648 12.8807 k = 0.0000 0.0000 0.4882 ( 3078 PWs) bands (ev): -0.3078 -0.2993 0.0426 0.0523 6.0199 6.0213 6.1142 6.1273 6.1333 6.1487 6.2191 6.2217 7.4970 7.5184 7.5304 7.5494 8.9849 8.9920 9.2693 9.2718 9.5362 9.5479 9.6874 9.7129 9.9061 9.9124 9.9373 9.9397 9.9613 9.9688 9.9834 9.9862 10.2784 10.2882 10.2917 10.3101 10.3119 10.3132 10.3142 10.3578 10.3739 10.3945 10.4221 10.4904 11.2386 11.3101 11.3167 11.3747 11.6285 11.6290 11.6571 11.6577 11.6682 11.6782 11.7872 11.7994 11.9693 11.9713 11.9752 11.9759 11.9814 11.9866 12.0518 12.0661 12.5507 12.6102 12.8173 12.8375 k = 0.0000 0.0000 0.5030 ( 3066 PWs) bands (ev): -0.2644 -0.2557 -0.0009 0.0087 6.0411 6.0422 6.1128 6.1253 6.1272 6.1428 6.1907 6.1939 7.5044 7.5205 7.5376 7.5519 9.0254 9.0316 9.2409 9.2435 9.5566 9.5701 9.6705 9.6944 9.9155 9.9219 9.9395 9.9497 9.9537 9.9786 9.9788 9.9900 10.2757 10.2842 10.2902 10.3053 10.3100 10.3118 10.3207 10.3555 10.3684 10.4005 10.4043 10.4736 11.2372 11.2917 11.3146 11.3586 11.6421 11.6436 11.6643 11.6743 11.6782 11.6984 11.7763 11.7897 11.9675 11.9743 11.9765 11.9809 11.9826 11.9832 12.0412 12.0535 12.5691 12.6243 12.7720 12.7969 k = 0.0000 0.0000 0.5178 ( 3066 PWs) bands (ev): -0.2207 -0.2118 -0.0448 -0.0353 6.0634 6.0639 6.1125 6.1221 6.1239 6.1381 6.1632 6.1676 7.5105 7.5213 7.5434 7.5530 9.0650 9.0704 9.2097 9.2126 9.5767 9.5920 9.6529 9.6751 9.9233 9.9295 9.9403 9.9476 9.9575 9.9751 9.9858 9.9926 10.2744 10.2807 10.2899 10.3007 10.3087 10.3100 10.3305 10.3545 10.3634 10.3872 10.4085 10.4578 11.2390 11.2757 11.3153 11.3449 11.6527 11.6560 11.6678 11.6771 11.6978 11.7171 11.7636 11.7783 11.9666 11.9725 11.9739 11.9794 11.9913 11.9914 12.0305 12.0405 12.5926 12.6429 12.7293 12.7590 k = 0.0000 0.0000 0.5326 ( 3066 PWs) bands (ev): -0.1768 -0.1677 -0.0887 -0.0794 6.0862 6.0867 6.1133 6.1181 6.1208 6.1350 6.1367 6.1451 7.5152 7.5206 7.5478 7.5526 9.1035 9.1082 9.1762 9.1796 9.5965 9.6135 9.6347 9.6552 9.9299 9.9351 9.9391 9.9427 9.9635 9.9717 9.9906 9.9938 10.2745 10.2778 10.2910 10.2967 10.3080 10.3087 10.3423 10.3548 10.3594 10.3709 10.4183 10.4432 11.2438 11.2623 11.3187 11.3336 11.6607 11.6658 11.6684 11.6765 11.7162 11.7345 11.7492 11.7652 11.9666 11.9695 11.9742 11.9769 12.0002 12.0027 12.0200 12.0275 12.6208 12.6660 12.6896 12.7243 k = 0.0000 0.0000 0.5474 ( 3066 PWs) bands (ev): -0.1328 -0.1328 -0.1236 -0.1236 6.1076 6.1076 6.1112 6.1112 6.1152 6.1152 6.1349 6.1349 7.5186 7.5186 7.5509 7.5509 9.1407 9.1407 9.1447 9.1447 9.6159 9.6159 9.6346 9.6346 9.9353 9.9353 9.9392 9.9392 9.9681 9.9681 9.9932 9.9932 10.2757 10.2757 10.2934 10.2934 10.3081 10.3081 10.3558 10.3558 10.3564 10.3564 10.4300 10.4300 11.2516 11.2516 11.3248 11.3248 11.6660 11.6660 11.6727 11.6727 11.7334 11.7334 11.7506 11.7506 11.9675 11.9676 11.9752 11.9752 12.0098 12.0098 12.0148 12.0148 12.6532 12.6532 12.6932 12.6932 k = 0.0000 0.0000 0.5474 ( 3066 PWs) bands (ev): -0.1328 -0.1328 -0.1236 -0.1236 6.1076 6.1076 6.1112 6.1112 6.1152 6.1152 6.1349 6.1349 7.5186 7.5186 7.5509 7.5509 9.1407 9.1407 9.1447 9.1447 9.6159 9.6159 9.6346 9.6346 9.9353 9.9353 9.9392 9.9392 9.9681 9.9681 9.9932 9.9932 10.2757 10.2757 10.2934 10.2934 10.3081 10.3081 10.3558 10.3558 10.3564 10.3564 10.4300 10.4300 11.2516 11.2516 11.3248 11.3248 11.6660 11.6660 11.6727 11.6727 11.7334 11.7334 11.7506 11.7506 11.9675 11.9676 11.9752 11.9752 12.0098 12.0098 12.0148 12.0148 12.6532 12.6532 12.6932 12.6932 k = 0.0128 0.0074 0.5474 ( 3066 PWs) bands (ev): -0.1325 -0.1325 -0.1233 -0.1233 6.0838 6.0838 6.0940 6.0940 6.1385 6.1385 6.1534 6.1534 7.5179 7.5179 7.5502 7.5502 9.1405 9.1405 9.1444 9.1444 9.6135 9.6135 9.6320 9.6320 9.9366 9.9366 9.9404 9.9404 9.9702 9.9702 9.9933 9.9933 10.2754 10.2754 10.2929 10.2929 10.3080 10.3080 10.3561 10.3561 10.3566 10.3566 10.4304 10.4304 11.2514 11.2514 11.3244 11.3244 11.6655 11.6655 11.6726 11.6726 11.7334 11.7334 11.7508 11.7508 11.9685 11.9685 11.9761 11.9761 12.0096 12.0096 12.0150 12.0150 12.6524 12.6524 12.6923 12.6923 k = 0.0256 0.0148 0.5474 ( 3066 PWs) bands (ev): -0.1317 -0.1317 -0.1225 -0.1225 6.0576 6.0576 6.0684 6.0684 6.1661 6.1661 6.1803 6.1803 7.5159 7.5159 7.5482 7.5482 9.1397 9.1397 9.1435 9.1435 9.6067 9.6067 9.6244 9.6244 9.9379 9.9379 9.9461 9.9461 9.9763 9.9763 9.9936 9.9936 10.2745 10.2745 10.2917 10.2917 10.3078 10.3078 10.3555 10.3555 10.3583 10.3583 10.4315 10.4315 11.2507 11.2507 11.3230 11.3230 11.6641 11.6641 11.6721 11.6721 11.7334 11.7334 11.7512 11.7512 11.9713 11.9713 11.9787 11.9787 12.0092 12.0092 12.0155 12.0155 12.6499 12.6499 12.6898 12.6898 k = 0.0385 0.0222 0.5474 ( 3066 PWs) bands (ev): -0.1303 -0.1303 -0.1212 -0.1212 6.0319 6.0319 6.0428 6.0428 6.1940 6.1940 6.2082 6.2082 7.5126 7.5126 7.5449 7.5449 9.1385 9.1385 9.1420 9.1420 9.5959 9.5959 9.6125 9.6125 9.9385 9.9385 9.9562 9.9562 9.9856 9.9856 9.9941 9.9941 10.2730 10.2730 10.2897 10.2897 10.3077 10.3077 10.3546 10.3546 10.3612 10.3612 10.4334 10.4334 11.2497 11.2497 11.3209 11.3209 11.6619 11.6619 11.6712 11.6712 11.7335 11.7335 11.7519 11.7519 11.9759 11.9759 11.9830 11.9830 12.0087 12.0087 12.0161 12.0161 12.6457 12.6457 12.6855 12.6855 k = 0.0513 0.0296 0.5474 ( 3062 PWs) bands (ev): -0.1284 -0.1284 -0.1193 -0.1193 6.0068 6.0068 6.0176 6.0176 6.2221 6.2221 6.2365 6.2365 7.5079 7.5079 7.5402 7.5402 9.1369 9.1369 9.1401 9.1401 9.5819 9.5819 9.5974 9.5974 9.9390 9.9390 9.9686 9.9686 9.9942 9.9942 9.9980 9.9980 10.2710 10.2710 10.2873 10.2873 10.3077 10.3077 10.3536 10.3536 10.3653 10.3653 10.4362 10.4362 11.2483 11.2483 11.3181 11.3181 11.6590 11.6590 11.6698 11.6698 11.7335 11.7335 11.7528 11.7528 11.9822 11.9822 11.9889 11.9889 12.0081 12.0081 12.0169 12.0169 12.6401 12.6401 12.6797 12.6797 k = 0.0641 0.0370 0.5474 ( 3058 PWs) bands (ev): -0.1260 -0.1260 -0.1169 -0.1169 5.9825 5.9825 5.9932 5.9932 6.2504 6.2504 6.2650 6.2650 7.5020 7.5020 7.5342 7.5342 9.1349 9.1349 9.1378 9.1378 9.5656 9.5656 9.5799 9.5799 9.9395 9.9395 9.9809 9.9809 9.9965 9.9965 10.0107 10.0107 10.2686 10.2686 10.2848 10.2848 10.3081 10.3081 10.3528 10.3528 10.3704 10.3704 10.4400 10.4400 11.2466 11.2466 11.3146 11.3146 11.6554 11.6554 11.6679 11.6679 11.7337 11.7337 11.7540 11.7540 11.9901 11.9901 11.9962 11.9962 12.0076 12.0076 12.0178 12.0178 12.6330 12.6330 12.6724 12.6724 k = 0.0769 0.0444 0.5474 ( 3058 PWs) bands (ev): -0.1231 -0.1231 -0.1141 -0.1141 5.9590 5.9590 5.9695 5.9695 6.2786 6.2786 6.2936 6.2936 7.4949 7.4949 7.5269 7.5269 9.1326 9.1326 9.1351 9.1351 9.5474 9.5474 9.5607 9.5607 9.9397 9.9397 9.9879 9.9879 10.0035 10.0035 10.0237 10.0237 10.2660 10.2660 10.2825 10.2825 10.3087 10.3087 10.3524 10.3524 10.3766 10.3766 10.4447 10.4447 11.2447 11.2447 11.3106 11.3106 11.6511 11.6511 11.6655 11.6655 11.7338 11.7338 11.7552 11.7552 11.9993 11.9993 12.0046 12.0046 12.0073 12.0073 12.0190 12.0190 12.6246 12.6246 12.6638 12.6638 k = 0.0897 0.0518 0.5474 ( 3060 PWs) bands (ev): -0.1197 -0.1197 -0.1108 -0.1108 5.9363 5.9363 5.9466 5.9466 6.3067 6.3067 6.3220 6.3220 7.4865 7.4865 7.5184 7.5184 9.1301 9.1301 9.1322 9.1322 9.5280 9.5280 9.5405 9.5405 9.9395 9.9395 9.9891 9.9891 10.0149 10.0149 10.0357 10.0357 10.2634 10.2634 10.2810 10.2810 10.3099 10.3099 10.3529 10.3529 10.3841 10.3841 10.4507 10.4507 11.2425 11.2425 11.3062 11.3062 11.6462 11.6462 11.6625 11.6625 11.7341 11.7341 11.7567 11.7567 12.0056 12.0056 12.0109 12.0109 12.0135 12.0135 12.0212 12.0212 12.6150 12.6150 12.6539 12.6539 k = 0.1026 0.0592 0.5474 ( 3060 PWs) bands (ev): -0.1159 -0.1159 -0.1070 -0.1070 5.9146 5.9146 5.9247 5.9247 6.3345 6.3345 6.3502 6.3502 7.4769 7.4769 7.5087 7.5087 9.1274 9.1274 9.1291 9.1291 9.5079 9.5079 9.5197 9.5197 9.9388 9.9388 9.9881 9.9881 10.0257 10.0257 10.0456 10.0456 10.2612 10.2612 10.2804 10.2804 10.3118 10.3118 10.3546 10.3546 10.3930 10.3930 10.4580 10.4580 11.2403 11.2403 11.3015 11.3015 11.6408 11.6408 11.6590 11.6590 11.7345 11.7345 11.7583 11.7583 12.0057 12.0057 12.0175 12.0175 12.0228 12.0228 12.0284 12.0284 12.6043 12.6043 12.6431 12.6431 k = 0.1154 0.0666 0.5474 ( 3068 PWs) bands (ev): -0.1116 -0.1116 -0.1028 -0.1028 5.8939 5.8939 5.9037 5.9037 6.3620 6.3620 6.3780 6.3780 7.4663 7.4663 7.4979 7.4979 9.1246 9.1246 9.1260 9.1260 9.4874 9.4874 9.4987 9.4987 9.9374 9.9374 9.9857 9.9857 10.0339 10.0339 10.0525 10.0525 10.2598 10.2598 10.2806 10.2806 10.3147 10.3147 10.3580 10.3580 10.4035 10.4035 10.4668 10.4668 11.2379 11.2379 11.2966 11.2966 11.6349 11.6349 11.6549 11.6549 11.7350 11.7350 11.7599 11.7599 12.0054 12.0054 12.0191 12.0191 12.0353 12.0353 12.0397 12.0397 12.5928 12.5928 12.6313 12.6313 k = 0.1282 0.0740 0.5474 ( 3064 PWs) bands (ev): -0.1069 -0.1069 -0.0982 -0.0982 5.8742 5.8742 5.8839 5.8839 6.3890 6.3890 6.4054 6.4054 7.4546 7.4546 7.4861 7.4861 9.1217 9.1217 9.1230 9.1230 9.4670 9.4670 9.4779 9.4779 9.9352 9.9352 9.9822 9.9822 10.0386 10.0386 10.0558 10.0558 10.2593 10.2593 10.2816 10.2816 10.3190 10.3190 10.3638 10.3638 10.4158 10.4158 10.4774 10.4774 11.2356 11.2356 11.2918 11.2918 11.6286 11.6286 11.6505 11.6505 11.7357 11.7357 11.7617 11.7617 12.0052 12.0052 12.0201 12.0201 12.0488 12.0488 12.0524 12.0524 12.5806 12.5806 12.6188 12.6188 k = 0.1410 0.0814 0.5474 ( 3064 PWs) bands (ev): -0.1018 -0.1018 -0.0932 -0.0932 5.8556 5.8556 5.8651 5.8651 6.4154 6.4154 6.4322 6.4322 7.4421 7.4421 7.4734 7.4734 9.1188 9.1188 9.1204 9.1204 9.4468 9.4468 9.4573 9.4573 9.9319 9.9319 9.9774 9.9774 10.0395 10.0395 10.0554 10.0554 10.2592 10.2592 10.2826 10.2826 10.3251 10.3251 10.3725 10.3725 10.4301 10.4301 10.4898 10.4898 11.2334 11.2334 11.2871 11.2871 11.6220 11.6220 11.6457 11.6457 11.7365 11.7365 11.7636 11.7636 12.0051 12.0051 12.0209 12.0209 12.0626 12.0626 12.0657 12.0657 12.5676 12.5676 12.6056 12.6056 k = 0.1538 0.0888 0.5474 ( 3060 PWs) bands (ev): -0.0963 -0.0963 -0.0878 -0.0878 5.8381 5.8381 5.8475 5.8475 6.4410 6.4410 6.4582 6.4582 7.4288 7.4288 7.4599 7.4599 9.1160 9.1160 9.1179 9.1179 9.4270 9.4270 9.4373 9.4373 9.9276 9.9276 9.9713 9.9713 10.0367 10.0367 10.0515 10.0515 10.2592 10.2592 10.2833 10.2833 10.3335 10.3335 10.3840 10.3840 10.4465 10.4465 10.5042 10.5042 11.2312 11.2312 11.2824 11.2824 11.6153 11.6153 11.6405 11.6405 11.7375 11.7375 11.7656 11.7656 12.0051 12.0051 12.0217 12.0217 12.0769 12.0769 12.0796 12.0796 12.5542 12.5542 12.5920 12.5920 k = 0.1667 0.0962 0.5474 ( 3056 PWs) bands (ev): -0.0906 -0.0906 -0.0822 -0.0822 5.8219 5.8219 5.8310 5.8310 6.4656 6.4656 6.4832 6.4832 7.4148 7.4148 7.4457 7.4457 9.1133 9.1133 9.1158 9.1158 9.4077 9.4077 9.4179 9.4179 9.9221 9.9221 9.9636 9.9636 10.0305 10.0305 10.0444 10.0444 10.2588 10.2588 10.2830 10.2830 10.3442 10.3442 10.3979 10.3979 10.4652 10.4652 10.5207 10.5207 11.2290 11.2290 11.2780 11.2780 11.6084 11.6084 11.6352 11.6352 11.7386 11.7386 11.7676 11.7676 12.0055 12.0055 12.0227 12.0227 12.0913 12.0913 12.0939 12.0939 12.5404 12.5404 12.5779 12.5779 k = 0.1795 0.1036 0.5474 ( 3044 PWs) bands (ev): -0.0845 -0.0845 -0.0763 -0.0763 5.8069 5.8069 5.8159 5.8159 6.4891 6.4891 6.5071 6.5071 7.4005 7.4005 7.4312 7.4312 9.1109 9.1109 9.1139 9.1139 9.3893 9.3893 9.3993 9.3993 9.9155 9.9155 9.9546 9.9546 10.0217 10.0217 10.0346 10.0346 10.2577 10.2577 10.2817 10.2817 10.3572 10.3572 10.4138 10.4138 10.4862 10.4862 10.5393 10.5393 11.2270 11.2270 11.2737 11.2737 11.6016 11.6016 11.6298 11.6298 11.7399 11.7399 11.7696 11.7696 12.0059 12.0059 12.0237 12.0237 12.1056 12.1056 12.1085 12.1085 12.5263 12.5263 12.5636 12.5636 k = 0.1923 0.1110 0.5474 ( 3032 PWs) bands (ev): -0.0782 -0.0782 -0.0701 -0.0701 5.7931 5.7931 5.8020 5.8020 6.5112 6.5112 6.5296 6.5296 7.3860 7.3860 7.4163 7.4163 9.1088 9.1088 9.1123 9.1123 9.3718 9.3718 9.3817 9.3817 9.9075 9.9075 9.9440 9.9440 10.0107 10.0107 10.0228 10.0228 10.2559 10.2559 10.2795 10.2795 10.3722 10.3722 10.4310 10.4310 10.5093 10.5093 10.5599 10.5599 11.2247 11.2247 11.2695 11.2695 11.5952 11.5952 11.6245 11.6245 11.7415 11.7415 11.7719 11.7719 12.0066 12.0066 12.0249 12.0249 12.1198 12.1198 12.1231 12.1231 12.5119 12.5119 12.5489 12.5489 k = 0.2051 0.1184 0.5474 ( 3032 PWs) bands (ev): -0.0717 -0.0717 -0.0638 -0.0638 5.7807 5.7807 5.7893 5.7893 6.5317 6.5317 6.5504 6.5504 7.3714 7.3714 7.4015 7.4015 9.1069 9.1069 9.1110 9.1110 9.3554 9.3554 9.3652 9.3652 9.8984 9.8984 9.9320 9.9320 9.9979 9.9979 10.0093 10.0093 10.2534 10.2534 10.2763 10.2763 10.3887 10.3887 10.4489 10.4489 10.5343 10.5343 10.5822 10.5822 11.2223 11.2223 11.2653 11.2653 11.5890 11.5890 11.6192 11.6192 11.7432 11.7432 11.7740 11.7740 12.0075 12.0075 12.0262 12.0262 12.1335 12.1335 12.1374 12.1374 12.4972 12.4972 12.5340 12.5340 k = 0.2179 0.1258 0.5474 ( 3040 PWs) bands (ev): -0.0651 -0.0651 -0.0573 -0.0573 5.7695 5.7695 5.7780 5.7780 6.5504 6.5504 6.5693 6.5693 7.3572 7.3572 7.3868 7.3868 9.1053 9.1053 9.1098 9.1098 9.3401 9.3401 9.3498 9.3498 9.8880 9.8880 9.9188 9.9188 9.9838 9.9838 9.9944 9.9944 10.2503 10.2503 10.2724 10.2724 10.4062 10.4062 10.4673 10.4673 10.5610 10.5610 10.6063 10.6063 11.2195 11.2195 11.2610 11.2610 11.5834 11.5834 11.6143 11.6143 11.7451 11.7451 11.7762 11.7762 12.0086 12.0086 12.0278 12.0278 12.1468 12.1468 12.1513 12.1513 12.4823 12.4823 12.5188 12.5188 k = 0.2308 0.1332 0.5474 ( 3036 PWs) bands (ev): -0.0583 -0.0583 -0.0507 -0.0507 5.7597 5.7597 5.7680 5.7680 6.5670 6.5670 6.5862 6.5862 7.3435 7.3435 7.3728 7.3728 9.1038 9.1038 9.1088 9.1088 9.3262 9.3262 9.3357 9.3357 9.8766 9.8766 9.9045 9.9045 9.9687 9.9687 9.9787 9.9787 10.2467 10.2467 10.2679 10.2679 10.4247 10.4247 10.4862 10.4862 10.5890 10.5890 10.6317 10.6317 11.2164 11.2164 11.2566 11.2566 11.5786 11.5786 11.6100 11.6100 11.7474 11.7474 11.7786 11.7786 12.0101 12.0101 12.0298 12.0298 12.1598 12.1598 12.1648 12.1648 12.4674 12.4674 12.5036 12.5036 k = 0.2436 0.1406 0.5474 ( 3044 PWs) bands (ev): -0.0515 -0.0515 -0.0440 -0.0440 5.7512 5.7512 5.7594 5.7594 6.5814 6.5814 6.6007 6.6007 7.3307 7.3307 7.3595 7.3595 9.1026 9.1026 9.1079 9.1079 9.3137 9.3137 9.3231 9.3231 9.8643 9.8643 9.8892 9.8892 9.9528 9.9528 9.9623 9.9623 10.2426 10.2426 10.2630 10.2630 10.4438 10.4438 10.5053 10.5053 10.6181 10.6181 10.6584 10.6584 11.2127 11.2127 11.2519 11.2519 11.5745 11.5745 11.6061 11.6061 11.7499 11.7499 11.7810 11.7810 12.0118 12.0118 12.0320 12.0320 12.1720 12.1720 12.1776 12.1776 12.4521 12.4521 12.4881 12.4881 k = 0.2564 0.1480 0.5474 ( 3048 PWs) bands (ev): -0.0446 -0.0446 -0.0374 -0.0374 5.7440 5.7440 5.7520 5.7520 6.5932 6.5932 6.6126 6.6126 7.3190 7.3190 7.3474 7.3474 9.1013 9.1013 9.1070 9.1070 9.3028 9.3028 9.3120 9.3120 9.8512 9.8512 9.8733 9.8733 9.9363 9.9363 9.9454 9.9454 10.2381 10.2381 10.2576 10.2576 10.4635 10.4635 10.5247 10.5247 10.6479 10.6479 10.6860 10.6860 11.2085 11.2085 11.2470 11.2470 11.5715 11.5715 11.6029 11.6029 11.7529 11.7529 11.7837 11.7837 12.0140 12.0140 12.0347 12.0347 12.1834 12.1834 12.1896 12.1896 12.4367 12.4367 12.4724 12.4724 k = 0.2692 0.1554 0.5474 ( 3050 PWs) bands (ev): -0.0377 -0.0377 -0.0307 -0.0307 5.7382 5.7382 5.7461 5.7461 6.6024 6.6024 6.6217 6.6217 7.3088 7.3088 7.3366 7.3366 9.1001 9.1001 9.1059 9.1059 9.2936 9.2936 9.3025 9.3025 9.8374 9.8374 9.8568 9.8568 9.9193 9.9193 9.9282 9.9282 10.2332 10.2332 10.2520 10.2520 10.4835 10.4835 10.5443 10.5443 10.6783 10.6783 10.7143 10.7143 11.2037 11.2037 11.2419 11.2419 11.5694 11.5694 11.6005 11.6005 11.7564 11.7564 11.7867 11.7867 12.0164 12.0164 12.0378 12.0378 12.1941 12.1941 12.2009 12.2009 12.4212 12.4212 12.4566 12.4566 k = 0.2821 0.1628 0.5474 ( 3050 PWs) bands (ev): -0.0309 -0.0309 -0.0241 -0.0241 5.7337 5.7337 5.7414 5.7414 6.6087 6.6087 6.6278 6.6278 7.3002 7.3002 7.3274 7.3274 9.0987 9.0987 9.1047 9.1047 9.2861 9.2861 9.2947 9.2947 9.8232 9.8232 9.8402 9.8402 9.9022 9.9022 9.9108 9.9108 10.2281 10.2281 10.2461 10.2461 10.5038 10.5038 10.5640 10.5640 10.7088 10.7088 10.7430 10.7430 11.1983 11.1983 11.2364 11.2364 11.5682 11.5682 11.5986 11.5986 11.7607 11.7607 11.7901 11.7901 12.0193 12.0193 12.0413 12.0413 12.2039 12.2039 12.2111 12.2111 12.4057 12.4057 12.4409 12.4409 k = 0.2949 0.1702 0.5474 ( 3058 PWs) bands (ev): -0.0242 -0.0242 -0.0176 -0.0176 5.7304 5.7304 5.7379 5.7379 6.6121 6.6121 6.6309 6.6309 7.2935 7.2935 7.3200 7.3200 9.0972 9.0972 9.1031 9.1031 9.2803 9.2803 9.2886 9.2886 9.8087 9.8087 9.8234 9.8234 9.8850 9.8850 9.8934 9.8934 10.2227 10.2227 10.2399 10.2399 10.5242 10.5242 10.5837 10.5837 10.7392 10.7392 10.7718 10.7718 11.1924 11.1924 11.2307 11.2307 11.5676 11.5676 11.5971 11.5971 11.7657 11.7657 11.7940 11.7940 12.0225 12.0225 12.0452 12.0452 12.2125 12.2125 12.2203 12.2203 12.3902 12.3902 12.4251 12.4251 k = 0.3077 0.1776 0.5474 ( 3052 PWs) bands (ev): -0.0176 -0.0176 -0.0112 -0.0112 5.7284 5.7284 5.7357 5.7357 6.6126 6.6126 6.6310 6.6310 7.2887 7.2887 7.3144 7.3144 9.0955 9.0955 9.1013 9.1013 9.2762 9.2762 9.2841 9.2841 9.7940 9.7940 9.8069 9.8069 9.8679 9.8679 9.8762 9.8762 10.2172 10.2172 10.2337 10.2337 10.5447 10.5447 10.6034 10.6034 10.7693 10.7693 10.8006 10.8006 11.1862 11.1862 11.2251 11.2251 11.5676 11.5676 11.5960 11.5960 11.7716 11.7716 11.7987 11.7987 12.0261 12.0261 12.0495 12.0495 12.2200 12.2200 12.2282 12.2282 12.3749 12.3749 12.4095 12.4095 k = 0.3205 0.1850 0.5474 ( 3048 PWs) bands (ev): -0.0112 -0.0112 -0.0051 -0.0051 5.7275 5.7275 5.7346 5.7346 6.6104 6.6104 6.6282 6.6282 7.2858 7.2858 7.3108 7.3108 9.0936 9.0936 9.0991 9.0991 9.2737 9.2737 9.2813 9.2813 9.7793 9.7793 9.7907 9.7907 9.8511 9.8511 9.8592 9.8592 10.2115 10.2115 10.2274 10.2274 10.5651 10.5651 10.6230 10.6230 10.7988 10.7988 10.8290 10.8290 11.1800 11.1800 11.2197 11.2197 11.5680 11.5680 11.5950 11.5950 11.7787 11.7787 11.8042 11.8042 12.0299 12.0299 12.0541 12.0541 12.2262 12.2262 12.2346 12.2346 12.3599 12.3599 12.3941 12.3941 k = 0.3333 0.1925 0.5474 ( 3036 PWs) bands (ev): -0.0050 -0.0050 0.0009 0.0009 5.7277 5.7277 5.7346 5.7346 6.6057 6.6057 6.6228 6.6228 7.2847 7.2847 7.3089 7.3089 9.0915 9.0915 9.0968 9.0968 9.2727 9.2727 9.2800 9.2800 9.7646 9.7646 9.7750 9.7750 9.8347 9.8347 9.8426 9.8426 10.2059 10.2059 10.2212 10.2212 10.5852 10.5852 10.6423 10.6423 10.8274 10.8274 10.8567 10.8567 11.1741 11.1741 11.2148 11.2148 11.5684 11.5684 11.5940 11.5940 11.7868 11.7868 11.8107 11.8107 12.0341 12.0341 12.0590 12.0590 12.2308 12.2308 12.2394 12.2394 12.3457 12.3457 12.3794 12.3794 k = 0.3462 0.1999 0.5474 ( 3040 PWs) bands (ev): 0.0009 0.0009 0.0065 0.0065 5.7289 5.7289 5.7356 5.7356 6.5987 6.5987 6.6150 6.6150 7.2852 7.2852 7.3087 7.3087 9.0892 9.0892 9.0942 9.0942 9.2729 9.2729 9.2799 9.2799 9.7501 9.7501 9.7599 9.7599 9.8187 9.8187 9.8264 9.8264 10.2001 10.2001 10.2149 10.2149 10.6050 10.6050 10.6612 10.6612 10.8546 10.8546 10.8833 10.8833 11.1688 11.1688 11.2107 11.2107 11.5685 11.5685 11.5925 11.5925 11.7961 11.7961 11.8181 11.8181 12.0383 12.0383 12.0640 12.0640 12.2335 12.2335 12.2419 12.2419 12.3326 12.3326 12.3655 12.3655 k = 0.3590 0.2073 0.5474 ( 3040 PWs) bands (ev): 0.0064 0.0064 0.0118 0.0118 5.7310 5.7310 5.7374 5.7374 6.5898 6.5898 6.6053 6.6053 7.2870 7.2870 7.3098 7.3098 9.0869 9.0869 9.0915 9.0915 9.2742 9.2742 9.2809 9.2809 9.7359 9.7359 9.7456 9.7456 9.8035 9.8035 9.8110 9.8110 10.1945 10.1945 10.2087 10.2087 10.6242 10.6242 10.6794 10.6794 10.8800 10.8800 10.9082 10.9082 11.1648 11.1648 11.2078 11.2078 11.5683 11.5683 11.5905 11.5905 11.8064 11.8064 11.8264 11.8264 12.0426 12.0426 12.0691 12.0691 12.2341 12.2341 12.2418 12.2418 12.3214 12.3214 12.3529 12.3529 k = 0.3718 0.2147 0.5474 ( 3048 PWs) bands (ev): 0.0117 0.0117 0.0168 0.0168 5.7338 5.7338 5.7399 5.7399 6.5796 6.5796 6.5942 6.5942 7.2898 7.2898 7.3121 7.3121 9.0846 9.0846 9.0888 9.0888 9.2763 9.2763 9.2829 9.2829 9.7221 9.7221 9.7322 9.7322 9.7891 9.7891 9.7963 9.7963 10.1889 10.1889 10.2027 10.2027 10.6426 10.6426 10.6968 10.6968 10.9032 10.9032 10.9309 10.9309 11.1625 11.1625 11.2066 11.2066 11.5675 11.5675 11.5879 11.5879 11.8175 11.8175 11.8356 11.8356 12.0470 12.0470 12.0740 12.0740 12.2322 12.2322 12.2385 12.2385 12.3127 12.3127 12.3421 12.3421 k = 0.3846 0.2221 0.5474 ( 3040 PWs) bands (ev): 0.0165 0.0165 0.0215 0.0215 5.7372 5.7372 5.7430 5.7430 6.5684 6.5684 6.5821 6.5821 7.2935 7.2935 7.3152 7.3152 9.0824 9.0824 9.0863 9.0863 9.2790 9.2790 9.2855 9.2855 9.7091 9.7091 9.7199 9.7199 9.7758 9.7758 9.7828 9.7828 10.1837 10.1837 10.1970 10.1970 10.6603 10.6603 10.7132 10.7132 10.9238 10.9238 10.9508 10.9508 11.1628 11.1628 11.2074 11.2074 11.5663 11.5663 11.5848 11.5848 11.8295 11.8295 11.8456 11.8456 12.0514 12.0514 12.0788 12.0788 12.2277 12.2277 12.2325 12.2325 12.3067 12.3067 12.3334 12.3334 k = 0.3974 0.2295 0.5474 ( 3046 PWs) bands (ev): 0.0209 0.0209 0.0257 0.0257 5.7410 5.7410 5.7465 5.7465 6.5568 6.5568 6.5695 6.5695 7.2975 7.2975 7.3189 7.3189 9.0803 9.0803 9.0838 9.0838 9.2821 9.2821 9.2886 9.2886 9.6968 9.6968 9.7084 9.7084 9.7635 9.7635 9.7702 9.7702 10.1786 10.1786 10.1916 10.1916 10.6768 10.6768 10.7285 10.7285 10.9414 10.9414 10.9672 10.9672 11.1660 11.1660 11.2103 11.2103 11.5645 11.5645 11.5811 11.5811 11.8417 11.8417 11.8557 11.8557 12.0558 12.0558 12.0833 12.0833 12.2205 12.2205 12.2247 12.2247 12.3030 12.3030 12.3268 12.3268 k = 0.4103 0.2369 0.5474 ( 3044 PWs) bands (ev): 0.0249 0.0249 0.0295 0.0295 5.7451 5.7451 5.7502 5.7502 6.5452 6.5452 6.5570 6.5570 7.3018 7.3018 7.3228 7.3228 9.0785 9.0785 9.0816 9.0816 9.2854 9.2854 9.2919 9.2919 9.6856 9.6856 9.6981 9.6981 9.7525 9.7525 9.7589 9.7589 10.1740 10.1740 10.1867 10.1867 10.6921 10.6921 10.7424 10.7424 10.9558 10.9558 10.9798 10.9798 11.1724 11.1724 11.2153 11.2153 11.5623 11.5623 11.5770 11.5770 11.8538 11.8538 11.8657 11.8657 12.0601 12.0601 12.0872 12.0872 12.2115 12.2115 12.2166 12.2166 12.3007 12.3007 12.3219 12.3219 k = 0.4231 0.2443 0.5474 ( 3052 PWs) bands (ev): 0.0284 0.0284 0.0328 0.0328 5.7493 5.7493 5.7539 5.7539 6.5341 6.5341 6.5449 6.5449 7.3060 7.3060 7.3267 7.3267 9.0768 9.0768 9.0797 9.0797 9.2886 9.2886 9.2952 9.2952 9.6754 9.6754 9.6888 9.6888 9.7427 9.7427 9.7488 9.7488 10.1697 10.1697 10.1822 10.1822 10.7058 10.7058 10.7548 10.7548 10.9671 10.9671 10.9886 10.9886 11.1815 11.1815 11.2220 11.2220 11.5598 11.5598 11.5724 11.5724 11.8654 11.8654 11.8751 11.8751 12.0643 12.0643 12.0906 12.0906 12.2018 12.2018 12.2086 12.2086 12.2991 12.2991 12.3181 12.3181 k = 0.4359 0.2517 0.5474 ( 3056 PWs) bands (ev): 0.0315 0.0315 0.0356 0.0356 5.7533 5.7533 5.7575 5.7575 6.5239 6.5239 6.5337 6.5337 7.3099 7.3099 7.3304 7.3304 9.0755 9.0755 9.0780 9.0780 9.2917 9.2917 9.2983 9.2983 9.6665 9.6665 9.6807 9.6807 9.7344 9.7344 9.7402 9.7402 10.1661 10.1661 10.1783 10.1783 10.7178 10.7178 10.7655 10.7655 10.9756 10.9756 10.9943 10.9943 11.1926 11.1926 11.2300 11.2300 11.5572 11.5572 11.5678 11.5678 11.8758 11.8758 11.8836 11.8836 12.0683 12.0683 12.0934 12.0934 12.1928 12.1928 12.2015 12.2015 12.2977 12.2977 12.3148 12.3148 k = 0.4487 0.2591 0.5474 ( 3054 PWs) bands (ev): 0.0340 0.0340 0.0379 0.0379 5.7570 5.7570 5.7607 5.7607 6.5150 6.5150 6.5240 6.5240 7.3134 7.3134 7.3337 7.3337 9.0744 9.0744 9.0767 9.0767 9.2944 9.2944 9.3011 9.3011 9.6591 9.6591 9.6740 9.6740 9.7276 9.7276 9.7331 9.7331 10.1630 10.1630 10.1750 10.1750 10.7281 10.7281 10.7744 10.7744 10.9817 10.9817 10.9976 10.9976 11.2044 11.2044 11.2380 11.2380 11.5547 11.5547 11.5633 11.5633 11.8847 11.8847 11.8909 11.8909 12.0722 12.0722 12.0959 12.0959 12.1853 12.1853 12.1956 12.1956 12.2963 12.2963 12.3118 12.3118 k = 0.4615 0.2665 0.5474 ( 3058 PWs) bands (ev): 0.0359 0.0359 0.0398 0.0398 5.7601 5.7601 5.7633 5.7633 6.5077 6.5077 6.5159 6.5159 7.3163 7.3163 7.3364 7.3364 9.0735 9.0735 9.0756 9.0756 9.2966 9.2966 9.3034 9.3034 9.6532 9.6532 9.6687 9.6687 9.7221 9.7221 9.7275 9.7275 10.1606 10.1606 10.1724 10.1724 10.7362 10.7362 10.7814 10.7814 10.9860 10.9860 10.9992 10.9992 11.2154 11.2154 11.2454 11.2454 11.5526 11.5526 11.5592 11.5592 11.8915 11.8915 11.8969 11.8969 12.0756 12.0756 12.0979 12.0979 12.1800 12.1800 12.1909 12.1909 12.2946 12.2946 12.3088 12.3088 k = 0.4744 0.2739 0.5474 ( 3054 PWs) bands (ev): 0.0374 0.0374 0.0411 0.0411 5.7625 5.7625 5.7653 5.7653 6.5024 6.5024 6.5099 6.5099 7.3184 7.3184 7.3385 7.3385 9.0730 9.0730 9.0748 9.0748 9.2983 9.2983 9.3052 9.3052 9.6490 9.6490 9.6648 9.6648 9.7183 9.7183 9.7235 9.7235 10.1588 10.1588 10.1706 10.1706 10.7423 10.7423 10.7865 10.7865 10.9887 10.9887 10.9999 10.9999 11.2245 11.2245 11.2512 11.2512 11.5510 11.5510 11.5559 11.5559 11.8960 11.8960 11.9013 11.9013 12.0782 12.0782 12.0994 12.0994 12.1773 12.1773 12.1871 12.1871 12.2929 12.2929 12.3060 12.3060 k = 0.4872 0.2813 0.5474 ( 3054 PWs) bands (ev): 0.0382 0.0382 0.0419 0.0419 5.7640 5.7640 5.7665 5.7665 6.4991 6.4991 6.5062 6.5062 7.3198 7.3198 7.3398 7.3398 9.0726 9.0726 9.0744 9.0744 9.2994 9.2994 9.3062 9.3062 9.6464 9.6464 9.6625 9.6625 9.7159 9.7159 9.7210 9.7210 10.1577 10.1577 10.1694 10.1694 10.7459 10.7459 10.7895 10.7895 10.9903 10.9903 11.0001 11.0001 11.2305 11.2305 11.2549 11.2549 11.5501 11.5501 11.5536 11.5536 11.8985 11.8985 11.9040 11.9040 12.0801 12.0801 12.1004 12.1004 12.1769 12.1769 12.1840 12.1840 12.2913 12.2913 12.3041 12.3041 k = 0.5000 0.2887 0.5474 ( 3044 PWs) bands (ev): 0.0385 0.0385 0.0422 0.0422 5.7646 5.7646 5.7669 5.7669 6.4980 6.4980 6.5050 6.5050 7.3202 7.3202 7.3402 7.3402 9.0725 9.0725 9.0743 9.0743 9.2998 9.2998 9.3067 9.3067 9.6456 9.6456 9.6617 9.6617 9.7152 9.7152 9.7203 9.7203 10.1574 10.1574 10.1691 10.1691 10.7471 10.7471 10.7905 10.7905 10.9908 10.9908 11.0002 11.0002 11.2326 11.2326 11.2562 11.2562 11.5498 11.5498 11.5527 11.5527 11.8994 11.8994 11.9051 11.9051 12.0808 12.0808 12.1007 12.1007 12.1775 12.1775 12.1825 12.1825 12.2907 12.2907 12.3033 12.3033 k = 0.5000 0.2887 0.5474 ( 3044 PWs) bands (ev): 0.0385 0.0385 0.0422 0.0422 5.7646 5.7646 5.7669 5.7669 6.4980 6.4980 6.5050 6.5050 7.3202 7.3202 7.3402 7.3402 9.0725 9.0725 9.0743 9.0743 9.2998 9.2998 9.3067 9.3067 9.6456 9.6456 9.6617 9.6617 9.7152 9.7152 9.7203 9.7203 10.1574 10.1574 10.1691 10.1691 10.7471 10.7471 10.7905 10.7905 10.9908 10.9908 11.0002 11.0002 11.2326 11.2326 11.2562 11.2562 11.5498 11.5498 11.5527 11.5527 11.8994 11.8994 11.9051 11.9051 12.0808 12.0808 12.1007 12.1007 12.1775 12.1775 12.1825 12.1825 12.2907 12.2907 12.3033 12.3033 k = 0.4924 0.3018 0.5474 ( 3056 PWs) bands (ev): 0.0386 0.0386 0.0423 0.0423 5.7651 5.7651 5.7676 5.7676 6.4974 6.4974 6.5044 6.5044 7.3197 7.3197 7.3397 7.3397 9.0727 9.0727 9.0745 9.0745 9.2998 9.2998 9.3067 9.3067 9.6447 9.6447 9.6608 9.6608 9.7157 9.7157 9.7220 9.7220 10.1565 10.1565 10.1683 10.1683 10.7474 10.7474 10.7907 10.7907 10.9921 10.9921 11.0014 11.0014 11.2316 11.2316 11.2553 11.2553 11.5496 11.5496 11.5530 11.5530 11.8989 11.8989 11.9047 11.9047 12.0790 12.0790 12.0995 12.0995 12.1768 12.1768 12.1822 12.1822 12.2900 12.2900 12.3056 12.3056 k = 0.4848 0.3149 0.5474 ( 3060 PWs) bands (ev): 0.0388 0.0388 0.0425 0.0425 5.7669 5.7669 5.7694 5.7694 6.4956 6.4956 6.5028 6.5028 7.3183 7.3183 7.3383 7.3383 9.0735 9.0735 9.0754 9.0754 9.3000 9.3000 9.3070 9.3070 9.6425 9.6425 9.6583 9.6583 9.7178 9.7178 9.7265 9.7265 10.1539 10.1539 10.1658 10.1658 10.7483 10.7483 10.7913 10.7913 10.9961 10.9961 11.0049 11.0049 11.2285 11.2285 11.2527 11.2527 11.5491 11.5491 11.5536 11.5536 11.8976 11.8976 11.9037 11.9037 12.0739 12.0739 12.0960 12.0960 12.1750 12.1750 12.1812 12.1812 12.2891 12.2891 12.3110 12.3110 k = 0.4773 0.3280 0.5474 ( 3064 PWs) bands (ev): 0.0393 0.0393 0.0429 0.0429 5.7699 5.7699 5.7724 5.7724 6.4927 6.4927 6.5001 6.5001 7.3160 7.3160 7.3360 7.3360 9.0748 9.0748 9.0768 9.0768 9.3004 9.3004 9.3075 9.3075 9.6394 9.6394 9.6548 9.6548 9.7216 9.7216 9.7324 9.7324 10.1496 10.1496 10.1618 10.1618 10.7498 10.7498 10.7925 10.7925 11.0025 11.0025 11.0106 11.0106 11.2236 11.2236 11.2483 11.2483 11.5488 11.5488 11.5546 11.5546 11.8956 11.8956 11.9022 11.9022 12.0660 12.0660 12.0902 12.0902 12.1724 12.1724 12.1796 12.1796 12.2891 12.2891 12.3176 12.3176 k = 0.4697 0.3412 0.5474 ( 3060 PWs) bands (ev): 0.0399 0.0399 0.0434 0.0434 5.7740 5.7740 5.7767 5.7767 6.4886 6.4886 6.4963 6.4963 7.3130 7.3130 7.3329 7.3329 9.0766 9.0766 9.0787 9.0787 9.3009 9.3009 9.3082 9.3082 9.6361 9.6361 9.6509 9.6509 9.7265 9.7265 9.7391 9.7391 10.1440 10.1440 10.1565 10.1565 10.7521 10.7521 10.7943 10.7943 11.0110 11.0110 11.0184 11.0184 11.2167 11.2167 11.2422 11.2422 11.5487 11.5487 11.5558 11.5558 11.8929 11.8929 11.9000 11.9000 12.0560 12.0560 12.0821 12.0821 12.1694 12.1694 12.1772 12.1772 12.2903 12.2903 12.3247 12.3247 k = 0.4621 0.3543 0.5474 ( 3062 PWs) bands (ev): 0.0406 0.0406 0.0441 0.0441 5.7793 5.7793 5.7821 5.7821 6.4833 6.4833 6.4913 6.4913 7.3092 7.3092 7.3291 7.3291 9.0788 9.0788 9.0811 9.0811 9.3014 9.3014 9.3089 9.3089 9.6329 9.6329 9.6471 9.6471 9.7322 9.7322 9.7460 9.7460 10.1372 10.1372 10.1500 10.1500 10.7550 10.7550 10.7968 10.7968 11.0211 11.0211 11.0278 11.0278 11.2081 11.2081 11.2345 11.2345 11.5493 11.5493 11.5575 11.5575 11.8895 11.8895 11.8972 11.8972 12.0443 12.0443 12.0720 12.0720 12.1657 12.1657 12.1740 12.1740 12.2923 12.2923 12.3314 12.3314 k = 0.4545 0.3674 0.5474 ( 3058 PWs) bands (ev): 0.0415 0.0415 0.0449 0.0449 5.7856 5.7856 5.7886 5.7886 6.4767 6.4767 6.4852 6.4852 7.3050 7.3050 7.3247 7.3247 9.0814 9.0814 9.0838 9.0838 9.3020 9.3020 9.3097 9.3097 9.6303 9.6303 9.6438 9.6438 9.7380 9.7380 9.7529 9.7529 10.1293 10.1293 10.1424 10.1424 10.7586 10.7586 10.8001 10.8001 11.0324 11.0324 11.0388 11.0388 11.1979 11.1979 11.2253 11.2253 11.5505 11.5505 11.5598 11.5598 11.8856 11.8856 11.8938 11.8938 12.0316 12.0316 12.0603 12.0603 12.1615 12.1615 12.1702 12.1702 12.2946 12.2946 12.3375 12.3375 k = 0.4470 0.3805 0.5474 ( 3054 PWs) bands (ev): 0.0425 0.0425 0.0458 0.0458 5.7931 5.7931 5.7963 5.7963 6.4690 6.4690 6.4780 6.4780 7.3002 7.3002 7.3200 7.3200 9.0843 9.0843 9.0869 9.0869 9.3025 9.3025 9.3104 9.3104 9.6285 9.6285 9.6413 9.6413 9.7438 9.7438 9.7593 9.7593 10.1208 10.1208 10.1341 10.1341 10.7629 10.7629 10.8042 10.8042 11.0443 11.0443 11.0507 11.0507 11.1863 11.1863 11.2148 11.2148 11.5528 11.5528 11.5629 11.5629 11.8809 11.8809 11.8896 11.8896 12.0181 12.0181 12.0473 12.0473 12.1568 12.1568 12.1657 12.1657 12.2970 12.2970 12.3425 12.3425 k = 0.4394 0.3936 0.5474 ( 3054 PWs) bands (ev): 0.0436 0.0436 0.0468 0.0468 5.8016 5.8016 5.8050 5.8050 6.4601 6.4601 6.4695 6.4695 7.2952 7.2952 7.3149 7.3149 9.0874 9.0874 9.0901 9.0901 9.3028 9.3028 9.3110 9.3110 9.6276 9.6276 9.6397 9.6397 9.7490 9.7490 9.7651 9.7651 10.1117 10.1117 10.1251 10.1251 10.7679 10.7679 10.8091 10.8091 11.0564 11.0564 11.0634 11.0634 11.1737 11.1737 11.2033 11.2033 11.5561 11.5561 11.5671 11.5671 11.8756 11.8756 11.8847 11.8847 12.0042 12.0042 12.0334 12.0334 12.1514 12.1514 12.1607 12.1607 12.2993 12.2993 12.3463 12.3463 k = 0.4318 0.4068 0.5474 ( 3058 PWs) bands (ev): 0.0448 0.0448 0.0478 0.0478 5.8110 5.8110 5.8146 5.8146 6.4499 6.4499 6.4600 6.4600 7.2901 7.2901 7.3097 7.3097 9.0906 9.0906 9.0935 9.0935 9.3030 9.3030 9.3114 9.3114 9.6279 9.6279 9.6393 9.6393 9.7536 9.7536 9.7699 9.7699 10.1025 10.1025 10.1159 10.1159 10.7734 10.7734 10.8147 10.8147 11.0678 11.0678 11.0763 11.0763 11.1603 11.1603 11.1911 11.1911 11.5607 11.5607 11.5724 11.5724 11.8697 11.8697 11.8793 11.8793 11.9902 11.9902 12.0190 12.0190 12.1454 12.1454 12.1550 12.1550 12.3014 12.3014 12.3488 12.3488 k = 0.4242 0.4199 0.5474 ( 3058 PWs) bands (ev): 0.0461 0.0461 0.0490 0.0490 5.8213 5.8213 5.8252 5.8252 6.4387 6.4387 6.4493 6.4493 7.2850 7.2850 7.3046 7.3046 9.0939 9.0939 9.0969 9.0969 9.3030 9.3030 9.3116 9.3116 9.6293 9.6293 9.6401 9.6401 9.7574 9.7574 9.7738 9.7738 10.0934 10.0934 10.1066 10.1066 10.7793 10.7793 10.8210 10.8210 11.0782 11.0782 11.0890 11.0890 11.1471 11.1471 11.1788 11.1788 11.5668 11.5668 11.5791 11.5791 11.8630 11.8630 11.8732 11.8732 11.9763 11.9763 12.0044 12.0044 12.1386 12.1386 12.1488 12.1488 12.3031 12.3031 12.3502 12.3502 k = 0.4167 0.4330 0.5474 ( 3054 PWs) bands (ev): 0.0475 0.0475 0.0502 0.0502 5.8324 5.8324 5.8365 5.8365 6.4264 6.4264 6.4376 6.4376 7.2801 7.2801 7.2996 7.2996 9.0973 9.0973 9.1004 9.1004 9.3029 9.3029 9.3116 9.3116 9.6320 9.6320 9.6421 9.6421 9.7602 9.7602 9.7764 9.7764 10.0846 10.0846 10.0974 10.0974 10.7857 10.7857 10.8279 10.8279 11.0861 11.0861 11.1011 11.1011 11.1351 11.1351 11.1670 11.1670 11.5743 11.5743 11.5872 11.5872 11.8557 11.8557 11.8665 11.8665 11.9628 11.9628 11.9898 11.9898 12.1313 12.1313 12.1420 12.1420 12.3046 12.3046 12.3507 12.3507 k = 0.4091 0.4461 0.5474 ( 3060 PWs) bands (ev): 0.0488 0.0488 0.0514 0.0514 5.8441 5.8441 5.8486 5.8486 6.4132 6.4132 6.4249 6.4249 7.2755 7.2755 7.2949 7.2949 9.1005 9.1005 9.1036 9.1036 9.3025 9.3025 9.3114 9.3114 9.6359 9.6359 9.6453 9.6453 9.7619 9.7619 9.7778 9.7778 10.0760 10.0760 10.0882 10.0882 10.7922 10.7922 10.8351 10.8351 11.0891 11.0891 11.1121 11.1121 11.1260 11.1260 11.1572 11.1572 11.5833 11.5833 11.5968 11.5968 11.8475 11.8475 11.8592 11.8592 11.9497 11.9497 11.9754 11.9754 12.1234 12.1234 12.1346 12.1346 12.3058 12.3058 12.3506 12.3506 k = 0.4015 0.4593 0.5474 ( 3064 PWs) bands (ev): 0.0502 0.0502 0.0526 0.0526 5.8564 5.8564 5.8611 5.8611 6.3992 6.3992 6.4115 6.4115 7.2712 7.2712 7.2906 7.2906 9.1036 9.1036 9.1067 9.1067 9.3019 9.3019 9.3110 9.3110 9.6408 9.6408 9.6496 9.6496 9.7625 9.7625 9.7779 9.7779 10.0679 10.0679 10.0795 10.0795 10.7989 10.7989 10.8425 10.8425 11.0851 11.0851 11.1180 11.1180 11.1239 11.1239 11.1515 11.1515 11.5938 11.5938 11.6079 11.6079 11.8384 11.8384 11.8515 11.8515 11.9374 11.9374 11.9615 11.9615 12.1151 12.1151 12.1268 12.1268 12.3067 12.3067 12.3502 12.3502 k = 0.3939 0.4724 0.5474 ( 3050 PWs) bands (ev): 0.0516 0.0516 0.0538 0.0538 5.8690 5.8690 5.8741 5.8741 6.3847 6.3847 6.3976 6.3976 7.2675 7.2675 7.2868 7.2868 9.1066 9.1066 9.1097 9.1097 9.3013 9.3013 9.3104 9.3104 9.6469 9.6469 9.6549 9.6549 9.7621 9.7621 9.7770 9.7770 10.0603 10.0603 10.0711 10.0711 10.8056 10.8056 10.8500 10.8500 11.0766 11.0766 11.1126 11.1126 11.1320 11.1320 11.1513 11.1513 11.6059 11.6059 11.6203 11.6203 11.8284 11.8284 11.8432 11.8432 11.9260 11.9260 11.9483 11.9483 12.1065 12.1065 12.1188 12.1188 12.3076 12.3076 12.3497 12.3497 k = 0.3864 0.4855 0.5474 ( 3046 PWs) bands (ev): 0.0530 0.0530 0.0549 0.0549 5.8817 5.8817 5.8871 5.8871 6.3699 6.3699 6.3834 6.3834 7.2642 7.2642 7.2836 7.2836 9.1093 9.1093 9.1123 9.1123 9.3006 9.3006 9.3098 9.3098 9.6536 9.6536 9.6609 9.6609 9.7607 9.7607 9.7753 9.7753 10.0532 10.0532 10.0632 10.0632 10.8121 10.8121 10.8574 10.8574 11.0670 11.0670 11.1051 11.1051 11.1397 11.1397 11.1545 11.1545 11.6192 11.6192 11.6340 11.6340 11.8175 11.8175 11.8345 11.8345 11.9155 11.9155 11.9361 11.9361 12.0979 12.0979 12.1106 12.1106 12.3082 12.3082 12.3492 12.3492 k = 0.3788 0.4986 0.5474 ( 3042 PWs) bands (ev): 0.0543 0.0543 0.0559 0.0559 5.8942 5.8942 5.8999 5.8999 6.3552 6.3552 6.3693 6.3693 7.2615 7.2615 7.2808 7.2808 9.1116 9.1116 9.1145 9.1145 9.2999 9.2999 9.3091 9.3091 9.6607 9.6607 9.6671 9.6671 9.7584 9.7584 9.7730 9.7730 10.0465 10.0465 10.0558 10.0558 10.8183 10.8183 10.8644 10.8644 11.0580 11.0580 11.0975 11.0975 11.1463 11.1463 11.1586 11.1586 11.6338 11.6338 11.6486 11.6486 11.8059 11.8059 11.8253 11.8253 11.9060 11.9060 11.9248 11.9248 12.0894 12.0894 12.1025 12.1025 12.3087 12.3087 12.3488 12.3488 k = 0.3712 0.5117 0.5474 ( 3046 PWs) bands (ev): 0.0554 0.0554 0.0569 0.0569 5.9062 5.9062 5.9121 5.9121 6.3411 6.3411 6.3557 6.3557 7.2593 7.2593 7.2786 7.2786 9.1135 9.1135 9.1164 9.1164 9.2992 9.2992 9.3084 9.3084 9.6679 9.6679 9.6733 9.6733 9.7556 9.7556 9.7705 9.7705 10.0402 10.0402 10.0489 10.0489 10.8241 10.8241 10.8708 10.8708 11.0501 11.0501 11.0907 11.0907 11.1518 11.1518 11.1623 11.1623 11.6492 11.6492 11.6639 11.6639 11.7936 11.7936 11.8158 11.8158 11.8974 11.8974 11.9146 11.9146 12.0813 12.0813 12.0946 12.0946 12.3090 12.3090 12.3485 12.3485 k = 0.3636 0.5249 0.5474 ( 3046 PWs) bands (ev): 0.0565 0.0565 0.0577 0.0577 5.9171 5.9171 5.9234 5.9234 6.3280 6.3280 6.3432 6.3432 7.2577 7.2577 7.2770 7.2770 9.1151 9.1151 9.1178 9.1178 9.2986 9.2986 9.3079 9.3079 9.6748 9.6748 9.6791 9.6791 9.7526 9.7526 9.7683 9.7683 10.0345 10.0345 10.0427 10.0427 10.8292 10.8292 10.8765 10.8765 11.0438 11.0438 11.0852 11.0852 11.1562 11.1562 11.1651 11.1651 11.6652 11.6652 11.6793 11.6793 11.7809 11.7809 11.8062 11.8062 11.8900 11.8900 11.9057 11.9057 12.0739 12.0739 12.0873 12.0873 12.3092 12.3092 12.3483 12.3483 k = 0.3561 0.5380 0.5474 ( 3046 PWs) bands (ev): 0.0573 0.0573 0.0583 0.0583 5.9266 5.9266 5.9331 5.9331 6.3168 6.3168 6.3323 6.3323 7.2565 7.2565 7.2758 7.2758 9.1163 9.1163 9.1190 9.1190 9.2982 9.2982 9.3075 9.3075 9.6809 9.6809 9.6839 9.6839 9.7497 9.7497 9.7665 9.7665 10.0295 10.0295 10.0374 10.0374 10.8336 10.8336 10.8812 10.8812 11.0393 11.0393 11.0812 11.0812 11.1596 11.1596 11.1670 11.1670 11.6812 11.6812 11.6940 11.6940 11.7681 11.7681 11.7970 11.7970 11.8838 11.8838 11.8981 11.8981 12.0676 12.0676 12.0811 12.0811 12.3094 12.3094 12.3483 12.3483 k = 0.3485 0.5511 0.5474 ( 3038 PWs) bands (ev): 0.0580 0.0580 0.0588 0.0588 5.9339 5.9339 5.9407 5.9407 6.3079 6.3079 6.3239 6.3239 7.2558 7.2558 7.2751 7.2751 9.1171 9.1171 9.1197 9.1197 9.2980 9.2980 9.3072 9.3072 9.6855 9.6855 9.6876 9.6876 9.7473 9.7473 9.7655 9.7655 10.0256 10.0256 10.0332 10.0332 10.8370 10.8370 10.8849 10.8849 11.0363 11.0363 11.0787 11.0787 11.1622 11.1622 11.1679 11.1679 11.6965 11.6965 11.7070 11.7070 11.7556 11.7556 11.7893 11.7893 11.8790 11.8790 11.8920 11.8920 12.0628 12.0628 12.0761 12.0761 12.3094 12.3094 12.3483 12.3483 k = 0.3409 0.5642 0.5474 ( 3038 PWs) bands (ev): 0.0585 0.0585 0.0590 0.0590 5.9387 5.9387 5.9455 5.9455 6.3022 6.3022 6.3184 6.3184 7.2554 7.2554 7.2747 7.2747 9.1175 9.1175 9.1201 9.1201 9.2979 9.2979 9.3071 9.3071 9.6883 9.6883 9.6898 9.6898 9.7458 9.7458 9.7650 9.7650 10.0229 10.0229 10.0304 10.0304 10.8392 10.8392 10.8872 10.8872 11.0346 11.0346 11.0773 11.0773 11.1639 11.1639 11.1681 11.1681 11.7091 11.7091 11.7166 11.7166 11.7444 11.7444 11.7840 11.7840 11.8758 11.8758 11.8878 11.8878 12.0597 12.0597 12.0729 12.0729 12.3094 12.3094 12.3483 12.3483 k = 0.3333 0.5774 0.5474 ( 3036 PWs) bands (ev): 0.0587 0.0587 0.0591 0.0591 5.9403 5.9403 5.9472 5.9472 6.3002 6.3002 6.3165 6.3165 7.2553 7.2553 7.2746 7.2746 9.1177 9.1177 9.1203 9.1203 9.2979 9.2979 9.3071 9.3071 9.6892 9.6892 9.6905 9.6905 9.7453 9.7453 9.7650 9.7650 10.0220 10.0220 10.0295 10.0295 10.8400 10.8400 10.8880 10.8880 11.0342 11.0342 11.0770 11.0770 11.1645 11.1645 11.1679 11.1679 11.7147 11.7147 11.7208 11.7208 11.7386 11.7386 11.7823 11.7823 11.8746 11.8746 11.8863 11.8863 12.0586 12.0586 12.0717 12.0717 12.3094 12.3094 12.3484 12.3484 k = 0.3333 0.5774 0.5474 ( 3036 PWs) bands (ev): 0.0587 0.0587 0.0591 0.0591 5.9403 5.9403 5.9472 5.9472 6.3002 6.3002 6.3165 6.3165 7.2553 7.2553 7.2746 7.2746 9.1177 9.1177 9.1203 9.1203 9.2979 9.2979 9.3071 9.3071 9.6892 9.6892 9.6905 9.6905 9.7453 9.7453 9.7650 9.7650 10.0220 10.0220 10.0295 10.0295 10.8400 10.8400 10.8880 10.8880 11.0342 11.0342 11.0770 11.0770 11.1645 11.1645 11.1679 11.1679 11.7147 11.7147 11.7208 11.7208 11.7386 11.7386 11.7823 11.7823 11.8746 11.8746 11.8863 11.8863 12.0586 12.0586 12.0717 12.0717 12.3094 12.3094 12.3484 12.3484 k = 0.3258 0.5642 0.5474 ( 3040 PWs) bands (ev): 0.0585 0.0585 0.0590 0.0590 5.9386 5.9386 5.9455 5.9455 6.3023 6.3023 6.3184 6.3184 7.2553 7.2553 7.2746 7.2746 9.1176 9.1176 9.1201 9.1201 9.2979 9.2979 9.3071 9.3071 9.6884 9.6884 9.6900 9.6900 9.7456 9.7456 9.7649 9.7649 10.0230 10.0230 10.0305 10.0305 10.8392 10.8392 10.8872 10.8872 11.0345 11.0345 11.0772 11.0772 11.1639 11.1639 11.1682 11.1682 11.7096 11.7096 11.7178 11.7178 11.7429 11.7429 11.7833 11.7833 11.8759 11.8759 11.8881 11.8881 12.0598 12.0598 12.0730 12.0730 12.3094 12.3094 12.3483 12.3483 k = 0.3182 0.5511 0.5474 ( 3032 PWs) bands (ev): 0.0580 0.0580 0.0587 0.0587 5.9336 5.9336 5.9404 5.9404 6.3085 6.3085 6.3245 6.3245 7.2555 7.2555 7.2748 7.2748 9.1172 9.1172 9.1199 9.1199 9.2979 9.2979 9.3071 9.3071 9.6860 9.6860 9.6888 9.6888 9.7465 9.7465 9.7647 9.7647 10.0262 10.0262 10.0341 10.0341 10.8366 10.8366 10.8846 10.8846 11.0353 11.0353 11.0775 11.0775 11.1624 11.1624 11.1690 11.1690 11.6996 11.6996 11.7119 11.7119 11.7487 11.7487 11.7845 11.7845 11.8802 11.8802 11.8939 11.8939 12.0634 12.0634 12.0769 12.0769 12.3096 12.3096 12.3483 12.3483 k = 0.3106 0.5380 0.5474 ( 3038 PWs) bands (ev): 0.0571 0.0571 0.0581 0.0581 5.9255 5.9255 5.9323 5.9323 6.3185 6.3185 6.3342 6.3342 7.2557 7.2557 7.2750 7.2750 9.1167 9.1167 9.1194 9.1194 9.2977 9.2977 9.3070 9.3070 9.6827 9.6827 9.6870 9.6870 9.7474 9.7474 9.7643 9.7643 10.0315 10.0315 10.0400 10.0400 10.8321 10.8321 10.8800 10.8800 11.0359 11.0359 11.0772 11.0772 11.1606 11.1606 11.1700 11.1700 11.6888 11.6888 11.7046 11.7046 11.7520 11.7520 11.7842 11.7842 11.8873 11.8873 11.9035 11.9035 12.0695 12.0695 12.0836 12.0836 12.3100 12.3100 12.3483 12.3483 k = 0.3030 0.5249 0.5474 ( 3038 PWs) bands (ev): 0.0559 0.0559 0.0572 0.0572 5.9149 5.9149 5.9216 5.9216 6.3318 6.3318 6.3474 6.3474 7.2559 7.2559 7.2752 7.2752 9.1162 9.1162 9.1189 9.1189 9.2974 9.2974 9.3066 9.3066 9.6788 9.6788 9.6848 9.6848 9.7485 9.7485 9.7638 9.7638 10.0390 10.0390 10.0485 10.0485 10.8256 10.8256 10.8735 10.8735 11.0359 11.0359 11.0757 11.0757 11.1588 11.1588 11.1714 11.1714 11.6781 11.6781 11.6967 11.6967 11.7527 11.7527 11.7826 11.7826 11.8968 11.8968 11.9159 11.9159 12.0781 12.0781 12.0929 12.0929 12.3109 12.3109 12.3484 12.3484 k = 0.2955 0.5117 0.5474 ( 3038 PWs) bands (ev): 0.0543 0.0543 0.0559 0.0559 5.9023 5.9023 5.9090 5.9090 6.3480 6.3480 6.3634 6.3634 7.2560 7.2560 7.2753 7.2753 9.1156 9.1156 9.1183 9.1183 9.2968 9.2968 9.3060 9.3060 9.6749 9.6749 9.6826 9.6826 9.7497 9.7497 9.7635 9.7635 10.0484 10.0484 10.0592 10.0592 10.8172 10.8172 10.8651 10.8651 11.0346 11.0346 11.0726 11.0726 11.1574 11.1574 11.1733 11.1733 11.6677 11.6677 11.6887 11.6887 11.7512 11.7512 11.7800 11.7800 11.9081 11.9081 11.9300 11.9300 12.0891 12.0891 12.1046 12.1046 12.3124 12.3124 12.3488 12.3488 k = 0.2879 0.4986 0.5474 ( 3034 PWs) bands (ev): 0.0524 0.0524 0.0543 0.0543 5.8883 5.8883 5.8950 5.8950 6.3665 6.3665 6.3818 6.3818 7.2558 7.2558 7.2753 7.2753 9.1150 9.1150 9.1178 9.1178 9.2958 9.2958 9.3050 9.3050 9.6711 9.6711 9.6804 9.6804 9.7514 9.7514 9.7638 9.7638 10.0595 10.0595 10.0716 10.0716 10.8070 10.8070 10.8550 10.8550 11.0316 11.0316 11.0673 11.0673 11.1567 11.1567 11.1758 11.1758 11.6577 11.6577 11.6805 11.6805 11.7485 11.7485 11.7771 11.7771 11.9204 11.9204 11.9449 11.9449 12.1022 12.1022 12.1183 12.1183 12.3148 12.3148 12.3495 12.3495 k = 0.2803 0.4855 0.5474 ( 3038 PWs) bands (ev): 0.0501 0.0501 0.0523 0.0523 5.8734 5.8734 5.8802 5.8802 6.3866 6.3866 6.4019 6.4019 7.2555 7.2555 7.2750 7.2750 9.1144 9.1144 9.1172 9.1172 9.2944 9.2944 9.3035 9.3035 9.6678 9.6678 9.6784 9.6784 9.7537 9.7537 9.7650 9.7650 10.0720 10.0720 10.0856 10.0856 10.7949 10.7949 10.8430 10.8430 11.0264 11.0264 11.0597 11.0597 11.1568 11.1568 11.1788 11.1788 11.6480 11.6480 11.6723 11.6723 11.7453 11.7453 11.7745 11.7745 11.9332 11.9332 11.9599 11.9599 12.1168 12.1168 12.1330 12.1330 12.3180 12.3180 12.3507 12.3507 k = 0.2727 0.4724 0.5474 ( 3046 PWs) bands (ev): 0.0474 0.0474 0.0500 0.0500 5.8582 5.8582 5.8650 5.8650 6.4079 6.4079 6.4233 6.4233 7.2549 7.2549 7.2745 7.2745 9.1139 9.1139 9.1167 9.1167 9.2924 9.2924 9.3015 9.3015 9.6654 9.6654 9.6772 9.6772 9.7568 9.7568 9.7673 9.7673 10.0856 10.0856 10.1006 10.1006 10.7812 10.7812 10.8294 10.8294 11.0187 11.0187 11.0498 11.0498 11.1577 11.1577 11.1821 11.1821 11.6385 11.6385 11.6640 11.6640 11.7421 11.7421 11.7724 11.7724 11.9458 11.9458 11.9744 11.9744 12.1322 12.1322 12.1481 12.1481 12.3223 12.3223 12.3523 12.3523 k = 0.2652 0.4593 0.5474 ( 3050 PWs) bands (ev): 0.0443 0.0443 0.0472 0.0472 5.8429 5.8429 5.8499 5.8499 6.4300 6.4300 6.4455 6.4455 7.2541 7.2541 7.2738 7.2738 9.1135 9.1135 9.1163 9.1163 9.2900 9.2900 9.2990 9.2990 9.6642 9.6642 9.6771 9.6771 9.7609 9.7609 9.7708 9.7708 10.1001 10.1001 10.1165 10.1165 10.7660 10.7660 10.8144 10.8144 11.0084 11.0084 11.0375 11.0375 11.1593 11.1593 11.1858 11.1858 11.6293 11.6293 11.6557 11.6557 11.7394 11.7394 11.7712 11.7712 11.9580 11.9580 11.9881 11.9881 12.1478 12.1478 12.1627 12.1627 12.3273 12.3273 12.3543 12.3543 k = 0.2576 0.4461 0.5474 ( 3050 PWs) bands (ev): 0.0408 0.0408 0.0440 0.0440 5.8280 5.8280 5.8350 5.8350 6.4524 6.4524 6.4681 6.4681 7.2531 7.2531 7.2731 7.2731 9.1133 9.1133 9.1161 9.1161 9.2870 9.2870 9.2959 9.2959 9.6646 9.6646 9.6783 9.6783 9.7661 9.7661 9.7756 9.7756 10.1151 10.1151 10.1328 10.1328 10.7494 10.7494 10.7980 10.7980 10.9956 10.9956 11.0231 11.0231 11.1616 11.1616 11.1897 11.1897 11.6203 11.6203 11.6473 11.6473 11.7375 11.7375 11.7707 11.7707 11.9694 11.9694 12.0008 12.0008 12.1630 12.1630 12.1762 12.1762 12.3329 12.3329 12.3567 12.3567 k = 0.2500 0.4330 0.5474 ( 3050 PWs) bands (ev): 0.0370 0.0370 0.0405 0.0405 5.8137 5.8137 5.8208 5.8208 6.4748 6.4748 6.4907 6.4907 7.2521 7.2521 7.2722 7.2722 9.1132 9.1132 9.1159 9.1159 9.2837 9.2837 9.2925 9.2925 9.6665 9.6665 9.6810 9.6810 9.7721 9.7721 9.7816 9.7816 10.1304 10.1304 10.1494 10.1494 10.7317 10.7317 10.7805 10.7805 10.9803 10.9803 11.0066 11.0066 11.1644 11.1644 11.1936 11.1936 11.6117 11.6117 11.6392 11.6392 11.7362 11.7362 11.7710 11.7710 11.9798 11.9798 12.0120 12.0120 12.1771 12.1771 12.1884 12.1884 12.3384 12.3384 12.3594 12.3594 k = 0.2424 0.4199 0.5474 ( 3046 PWs) bands (ev): 0.0327 0.0327 0.0366 0.0366 5.8002 5.8002 5.8074 5.8074 6.4967 6.4967 6.5129 6.5129 7.2510 7.2510 7.2715 7.2715 9.1132 9.1132 9.1158 9.1158 9.2801 9.2801 9.2887 9.2887 9.6704 9.6704 9.6856 9.6856 9.7792 9.7792 9.7888 9.7888 10.1458 10.1458 10.1660 10.1660 10.7129 10.7129 10.7620 10.7620 10.9627 10.9627 10.9883 10.9883 11.1675 11.1675 11.1975 11.1975 11.6034 11.6034 11.6312 11.6312 11.7356 11.7356 11.7719 11.7719 11.9889 11.9889 12.0217 12.0217 12.1898 12.1898 12.1990 12.1990 12.3433 12.3433 12.3625 12.3625 k = 0.2348 0.4068 0.5474 ( 3054 PWs) bands (ev): 0.0281 0.0281 0.0323 0.0323 5.7877 5.7877 5.7950 5.7950 6.5177 6.5177 6.5344 6.5344 7.2501 7.2501 7.2709 7.2709 9.1132 9.1132 9.1157 9.1157 9.2765 9.2765 9.2848 9.2848 9.6761 9.6761 9.6920 9.6920 9.7871 9.7871 9.7970 9.7970 10.1609 10.1609 10.1823 10.1823 10.6931 10.6931 10.7426 10.7426 10.9430 10.9430 10.9682 10.9682 11.1708 11.1708 11.2014 11.2014 11.5955 11.5955 11.6237 11.6237 11.7355 11.7355 11.7732 11.7732 11.9965 11.9965 12.0295 12.0295 12.2005 12.2005 12.2083 12.2083 12.3474 12.3474 12.3663 12.3663 k = 0.2273 0.3936 0.5474 ( 3054 PWs) bands (ev): 0.0231 0.0231 0.0276 0.0276 5.7764 5.7764 5.7838 5.7838 6.5376 6.5376 6.5546 6.5546 7.2495 7.2495 7.2707 7.2707 9.1133 9.1133 9.1157 9.1157 9.2731 9.2731 9.2811 9.2811 9.6838 9.6838 9.7004 9.7004 9.7960 9.7960 9.8062 9.8062 10.1758 10.1758 10.1982 10.1982 10.6727 10.6727 10.7226 10.7226 10.9215 10.9215 10.9466 10.9466 11.1743 11.1743 11.2053 11.2053 11.5883 11.5883 11.6167 11.6167 11.7360 11.7360 11.7748 11.7748 12.0025 12.0025 12.0356 12.0356 12.2092 12.2092 12.2166 12.2166 12.3509 12.3509 12.3709 12.3709 k = 0.2197 0.3805 0.5474 ( 3050 PWs) bands (ev): 0.0178 0.0178 0.0226 0.0226 5.7664 5.7664 5.7739 5.7739 6.5558 6.5558 6.5733 6.5733 7.2494 7.2494 7.2712 7.2712 9.1133 9.1133 9.1158 9.1158 9.2701 9.2701 9.2778 9.2778 9.6934 9.6934 9.7106 9.7106 9.8056 9.8056 9.8164 9.8164 10.1901 10.1901 10.2135 10.2135 10.6517 10.6517 10.7021 10.7021 10.8983 10.8983 10.9236 10.9236 11.1778 11.1778 11.2092 11.2092 11.5818 11.5818 11.6105 11.6105 11.7367 11.7367 11.7766 11.7766 12.0071 12.0071 12.0399 12.0399 12.2156 12.2156 12.2237 12.2237 12.3544 12.3544 12.3766 12.3766 k = 0.2121 0.3674 0.5474 ( 3058 PWs) bands (ev): 0.0122 0.0122 0.0172 0.0172 5.7578 5.7578 5.7653 5.7653 6.5721 6.5721 6.5900 6.5900 7.2500 7.2500 7.2724 7.2724 9.1132 9.1132 9.1158 9.1158 9.2678 9.2678 9.2752 9.2752 9.7047 9.7047 9.7226 9.7226 9.8159 9.8159 9.8272 9.8272 10.2037 10.2037 10.2281 10.2281 10.6303 10.6303 10.6811 10.6811 10.8736 10.8736 10.8994 10.8994 11.1813 11.1813 11.2131 11.2131 11.5760 11.5760 11.6050 11.6050 11.7376 11.7376 11.7783 11.7783 12.0103 12.0103 12.0425 12.0425 12.2198 12.2198 12.2292 12.2292 12.3583 12.3583 12.3832 12.3832 k = 0.2045 0.3543 0.5474 ( 3052 PWs) bands (ev): 0.0063 0.0063 0.0116 0.0116 5.7507 5.7507 5.7583 5.7583 6.5860 6.5860 6.6044 6.6044 7.2517 7.2517 7.2747 7.2747 9.1129 9.1129 9.1158 9.1158 9.2665 9.2665 9.2736 9.2736 9.7177 9.7177 9.7363 9.7363 9.8271 9.8271 9.8389 9.8389 10.2166 10.2166 10.2418 10.2418 10.6086 10.6086 10.6601 10.6601 10.8477 10.8477 10.8741 10.8741 11.1848 11.1848 11.2169 11.2169 11.5712 11.5712 11.6006 11.6006 11.7387 11.7387 11.7800 11.7800 12.0123 12.0123 12.0439 12.0439 12.2220 12.2220 12.2327 12.2327 12.3635 12.3635 12.3911 12.3911 k = 0.1970 0.3412 0.5474 ( 3060 PWs) bands (ev): 0.0000 0.0000 0.0057 0.0057 5.7450 5.7450 5.7527 5.7527 6.5972 6.5972 6.6161 6.6161 7.2545 7.2545 7.2783 7.2783 9.1124 9.1124 9.1156 9.1156 9.2663 9.2663 9.2733 9.2733 9.7320 9.7320 9.7514 9.7514 9.8388 9.8388 9.8512 9.8512 10.2285 10.2285 10.2545 10.2545 10.5867 10.5867 10.6389 10.6389 10.8206 10.8206 10.8479 10.8479 11.1883 11.1883 11.2207 11.2207 11.5673 11.5673 11.5971 11.5971 11.7398 11.7398 11.7815 11.7815 12.0132 12.0132 12.0442 12.0442 12.2220 12.2220 12.2336 12.2336 12.3700 12.3700 12.4000 12.4000 k = 0.1894 0.3280 0.5474 ( 3058 PWs) bands (ev): -0.0064 -0.0064 -0.0005 -0.0005 5.7410 5.7410 5.7487 5.7487 6.6055 6.6055 6.6248 6.6248 7.2588 7.2588 7.2834 7.2834 9.1117 9.1117 9.1154 9.1154 9.2676 9.2676 9.2745 9.2745 9.7474 9.7474 9.7678 9.7678 9.8511 9.8511 9.8641 9.8641 10.2394 10.2394 10.2661 10.2661 10.5647 10.5647 10.6177 10.6177 10.7927 10.7927 10.8210 10.8210 11.1917 11.1917 11.2245 11.2245 11.5645 11.5645 11.5947 11.5947 11.7408 11.7408 11.7826 11.7826 12.0134 12.0134 12.0436 12.0436 12.2202 12.2202 12.2322 12.2322 12.3783 12.3783 12.4101 12.4101 k = 0.1818 0.3149 0.5474 ( 3052 PWs) bands (ev): -0.0131 -0.0131 -0.0069 -0.0069 5.7386 5.7386 5.7464 5.7464 6.6107 6.6107 6.6302 6.6302 7.2647 7.2647 7.2901 7.2901 9.1109 9.1109 9.1149 9.1149 9.2703 9.2703 9.2773 9.2773 9.7638 9.7638 9.7852 9.7852 9.8641 9.8641 9.8776 9.8776 10.2492 10.2492 10.2766 10.2766 10.5429 10.5429 10.5967 10.5967 10.7640 10.7640 10.7936 10.7936 11.1951 11.1951 11.2283 11.2283 11.5629 11.5629 11.5934 11.5934 11.7418 11.7418 11.7835 11.7835 12.0131 12.0131 12.0424 12.0424 12.2165 12.2165 12.2284 12.2284 12.3881 12.3881 12.4212 12.4212 k = 0.1742 0.3018 0.5474 ( 3032 PWs) bands (ev): -0.0199 -0.0199 -0.0135 -0.0135 5.7378 5.7378 5.7457 5.7457 6.6125 6.6125 6.6324 6.6324 7.2724 7.2724 7.2985 7.2985 9.1100 9.1100 9.1144 9.1144 9.2748 9.2748 9.2820 9.2820 9.7808 9.7808 9.8035 9.8035 9.8778 9.8778 9.8916 9.8916 10.2578 10.2578 10.2859 10.2859 10.5213 10.5213 10.5760 10.5760 10.7349 10.7349 10.7659 10.7659 11.1984 11.1984 11.2322 11.2322 11.5623 11.5623 11.5932 11.5932 11.7426 11.7426 11.7840 11.7840 12.0124 12.0124 12.0408 12.0408 12.2111 12.2111 12.2225 12.2225 12.3992 12.3992 12.4333 12.4333 k = 0.1667 0.2887 0.5474 ( 3040 PWs) bands (ev): -0.0269 -0.0269 -0.0202 -0.0202 5.7386 5.7386 5.7466 5.7466 6.6110 6.6110 6.6310 6.6310 7.2816 7.2816 7.3084 7.3084 9.1090 9.1090 9.1136 9.1136 9.2807 9.2807 9.2882 9.2882 9.7979 9.7979 9.8220 9.8220 9.8918 9.8918 9.9059 9.9059 10.2650 10.2650 10.2938 10.2938 10.4999 10.4999 10.5555 10.5555 10.7053 10.7053 10.7379 10.7379 11.2015 11.2015 11.2360 11.2360 11.5629 11.5629 11.5941 11.5941 11.7431 11.7431 11.7840 11.7840 12.0113 12.0113 12.0388 12.0388 12.2039 12.2039 12.2146 12.2146 12.4112 12.4112 12.4460 12.4460 k = 0.1591 0.2756 0.5474 ( 3040 PWs) bands (ev): -0.0339 -0.0339 -0.0271 -0.0271 5.7411 5.7411 5.7492 5.7492 6.6062 6.6062 6.6262 6.6262 7.2924 7.2924 7.3200 7.3200 9.1081 9.1081 9.1129 9.1129 9.2884 9.2884 9.2962 9.2962 9.8150 9.8150 9.8407 9.8407 9.9064 9.9064 9.9205 9.9205 10.2708 10.2708 10.3004 10.3004 10.4790 10.4790 10.5356 10.5356 10.6757 10.6757 10.7100 10.7100 11.2046 11.2046 11.2399 11.2399 11.5645 11.5645 11.5959 11.5959 11.7433 11.7433 11.7836 11.7836 12.0102 12.0102 12.0368 12.0368 12.1954 12.1954 12.2052 12.2052 12.4240 12.4240 12.4593 12.4593 k = 0.1515 0.2624 0.5474 ( 3044 PWs) bands (ev): -0.0411 -0.0411 -0.0340 -0.0340 5.7452 5.7452 5.7534 5.7534 6.5982 6.5982 6.6182 6.6182 7.3047 7.3047 7.3328 7.3328 9.1074 9.1074 9.1122 9.1122 9.2977 9.2977 9.3058 9.3058 9.8316 9.8316 9.8592 9.8592 9.9214 9.9214 9.9356 9.9356 10.2753 10.2753 10.3056 10.3056 10.4587 10.4587 10.5160 10.5160 10.6461 10.6461 10.6824 10.6824 11.2075 11.2075 11.2438 11.2438 11.5672 11.5672 11.5986 11.5986 11.7433 11.7433 11.7829 11.7829 12.0091 12.0091 12.0348 12.0348 12.1856 12.1856 12.1944 12.1944 12.4374 12.4374 12.4731 12.4731 k = 0.1439 0.2493 0.5474 ( 3042 PWs) bands (ev): -0.0482 -0.0482 -0.0409 -0.0409 5.7509 5.7509 5.7592 5.7592 6.5873 6.5873 6.6071 6.6071 7.3182 7.3182 7.3468 7.3468 9.1070 9.1070 9.1117 9.1117 9.3086 9.3086 9.3170 9.3170 9.8476 9.8476 9.8772 9.8772 9.9370 9.9370 9.9510 9.9510 10.2784 10.2784 10.3095 10.3095 10.4390 10.4390 10.4971 10.4971 10.6169 10.6169 10.6553 10.6553 11.2104 11.2104 11.2478 11.2478 11.5709 11.5709 11.6021 11.6021 11.7431 11.7431 11.7817 11.7817 12.0080 12.0080 12.0328 12.0328 12.1747 12.1747 12.1825 12.1825 12.4512 12.4512 12.4872 12.4872 k = 0.1364 0.2362 0.5474 ( 3046 PWs) bands (ev): -0.0553 -0.0553 -0.0478 -0.0478 5.7582 5.7582 5.7666 5.7666 6.5736 6.5736 6.5932 6.5932 7.3326 7.3326 7.3617 7.3617 9.1070 9.1070 9.1114 9.1114 9.3211 9.3211 9.3297 9.3297 9.8626 9.8626 9.8943 9.8943 9.9528 9.9528 9.9667 9.9667 10.2801 10.2801 10.3121 10.3121 10.4202 10.4202 10.4785 10.4785 10.5882 10.5882 10.6290 10.6290 11.2132 11.2132 11.2519 11.2519 11.5754 11.5754 11.6064 11.6064 11.7427 11.7427 11.7802 11.7802 12.0071 12.0071 12.0309 12.0309 12.1628 12.1628 12.1697 12.1697 12.4653 12.4653 12.5015 12.5015 k = 0.1288 0.2231 0.5474 ( 3054 PWs) bands (ev): -0.0623 -0.0623 -0.0546 -0.0546 5.7671 5.7671 5.7756 5.7756 6.5574 6.5574 6.5767 6.5767 7.3477 7.3477 7.3773 7.3773 9.1073 9.1073 9.1114 9.1114 9.3349 9.3349 9.3437 9.3437 9.8763 9.8763 9.9102 9.9102 9.9686 9.9686 9.9824 9.9824 10.2804 10.2804 10.3132 10.3132 10.4024 10.4024 10.4605 10.4605 10.5605 10.5605 10.6039 10.6039 11.2159 11.2159 11.2561 11.2561 11.5806 11.5806 11.6111 11.6111 11.7421 11.7421 11.7784 11.7784 12.0063 12.0063 12.0292 12.0292 12.1502 12.1502 12.1560 12.1560 12.4795 12.4795 12.5160 12.5160 k = 0.1212 0.2099 0.5474 ( 3062 PWs) bands (ev): -0.0692 -0.0692 -0.0613 -0.0613 5.7775 5.7775 5.7862 5.7862 6.5389 6.5389 6.5579 6.5579 7.3632 7.3632 7.3931 7.3931 9.1081 9.1081 9.1118 9.1118 9.3500 9.3500 9.3591 9.3591 9.8887 9.8887 9.9249 9.9249 9.9841 9.9841 9.9978 9.9978 10.2795 10.2795 10.3130 10.3130 10.3859 10.3859 10.4429 10.4429 10.5340 10.5340 10.5800 10.5800 11.2186 11.2186 11.2605 11.2605 11.5864 11.5864 11.6163 11.6163 11.7413 11.7413 11.7763 11.7763 12.0056 12.0056 12.0277 12.0277 12.1370 12.1370 12.1418 12.1418 12.4938 12.4938 12.5306 12.5306 k = 0.1136 0.1968 0.5474 ( 3058 PWs) bands (ev): -0.0759 -0.0759 -0.0679 -0.0679 5.7894 5.7894 5.7982 5.7982 6.5186 6.5186 6.5371 6.5371 7.3789 7.3789 7.4092 7.4092 9.1093 9.1093 9.1126 9.1126 9.3665 9.3665 9.3758 9.3758 9.8997 9.8997 9.9380 9.9380 9.9988 9.9988 10.0128 10.0128 10.2775 10.2775 10.3113 10.3113 10.3710 10.3710 10.4259 10.4259 10.5092 10.5092 10.5579 10.5579 11.2213 11.2213 11.2651 11.2651 11.5928 11.5928 11.6218 11.6218 11.7404 11.7404 11.7742 11.7742 12.0052 12.0052 12.0264 12.0264 12.1233 12.1233 12.1272 12.1272 12.5082 12.5082 12.5452 12.5452 k = 0.1061 0.1837 0.5474 ( 3062 PWs) bands (ev): -0.0825 -0.0825 -0.0743 -0.0743 5.8028 5.8028 5.8118 5.8118 6.4964 6.4964 6.5146 6.5146 7.3944 7.3944 7.4250 7.4250 9.1110 9.1110 9.1138 9.1138 9.3840 9.3840 9.3935 9.3935 9.9092 9.9092 9.9496 9.9496 10.0122 10.0122 10.0265 10.0265 10.2746 10.2746 10.3080 10.3080 10.3580 10.3580 10.4097 10.4097 10.4864 10.4864 10.5378 10.5378 11.2239 11.2239 11.2698 11.2698 11.5995 11.5995 11.6275 11.6275 11.7395 11.7395 11.7719 11.7719 12.0049 12.0049 12.0252 12.0252 12.1093 12.1093 12.1123 12.1123 12.5226 12.5226 12.5598 12.5598 k = 0.0985 0.1706 0.5474 ( 3066 PWs) bands (ev): -0.0888 -0.0888 -0.0804 -0.0804 5.8175 5.8175 5.8267 5.8267 6.4728 6.4728 6.4906 6.4906 7.4097 7.4097 7.4405 7.4405 9.1131 9.1131 9.1154 9.1154 9.4025 9.4025 9.4122 9.4122 9.9172 9.9172 9.9596 9.9596 10.0235 10.0235 10.0383 10.0383 10.2709 10.2709 10.3034 10.3034 10.3469 10.3469 10.3948 10.3948 10.4656 10.4656 10.5197 10.5197 11.2265 11.2265 11.2746 11.2746 11.6065 11.6065 11.6332 11.6332 11.7386 11.7386 11.7696 11.7696 12.0047 12.0047 12.0241 12.0241 12.0951 12.0951 12.0973 12.0973 12.5368 12.5368 12.5743 12.5743 k = 0.0909 0.1575 0.5474 ( 3058 PWs) bands (ev): -0.0947 -0.0947 -0.0863 -0.0863 5.8337 5.8337 5.8430 5.8430 6.4480 6.4480 6.4653 6.4653 7.4244 7.4244 7.4554 7.4554 9.1156 9.1156 9.1174 9.1174 9.4218 9.4218 9.4318 9.4318 9.9239 9.9239 9.9681 9.9681 10.0321 10.0321 10.0476 10.0476 10.2672 10.2672 10.2980 10.2980 10.3376 10.3376 10.3819 10.3819 10.4471 10.4471 10.5037 10.5037 11.2292 11.2292 11.2797 11.2797 11.6135 11.6135 11.6389 11.6389 11.7376 11.7376 11.7673 11.7673 12.0047 12.0047 12.0231 12.0231 12.0808 12.0808 12.0826 12.0826 12.5509 12.5509 12.5886 12.5886 k = 0.0833 0.1443 0.5474 ( 3066 PWs) bands (ev): -0.1004 -0.1004 -0.0918 -0.0918 5.8511 5.8511 5.8606 5.8606 6.4220 6.4220 6.4390 6.4390 7.4384 7.4384 7.4697 7.4697 9.1183 9.1183 9.1197 9.1197 9.4418 9.4418 9.4521 9.4521 9.9292 9.9292 9.9750 9.9750 10.0370 10.0370 10.0535 10.0535 10.2637 10.2637 10.2924 10.2924 10.3297 10.3297 10.3714 10.3714 10.4307 10.4307 10.4897 10.4897 11.2318 11.2318 11.2848 11.2848 11.6204 11.6204 11.6442 11.6442 11.7367 11.7367 11.7650 11.7650 12.0047 12.0047 12.0221 12.0221 12.0663 12.0663 12.0682 12.0682 12.5645 12.5645 12.6025 12.6025 k = 0.0758 0.1312 0.5474 ( 3062 PWs) bands (ev): -0.1057 -0.1057 -0.0970 -0.0970 5.8698 5.8698 5.8795 5.8795 6.3953 6.3953 6.4118 6.4118 7.4516 7.4516 7.4830 7.4830 9.1212 9.1212 9.1224 9.1224 9.4624 9.4624 9.4731 9.4731 9.9333 9.9333 9.9806 9.9806 10.0380 10.0380 10.0556 10.0556 10.2613 10.2613 10.2874 10.2874 10.3230 10.3230 10.3636 10.3636 10.4165 10.4165 10.4777 10.4777 11.2345 11.2345 11.2901 11.2901 11.6272 11.6272 11.6493 11.6493 11.7359 11.7359 11.7628 11.7628 12.0049 12.0049 12.0212 12.0212 12.0520 12.0520 12.0544 12.0544 12.5778 12.5778 12.6160 12.6160 k = 0.0682 0.1181 0.5474 ( 3062 PWs) bands (ev): -0.1106 -0.1106 -0.1018 -0.1018 5.8897 5.8897 5.8995 5.8995 6.3678 6.3678 6.3839 6.3839 7.4638 7.4638 7.4954 7.4954 9.1241 9.1241 9.1253 9.1253 9.4833 9.4833 9.4944 9.4944 9.9362 9.9362 9.9846 9.9846 10.0345 10.0345 10.0535 10.0535 10.2604 10.2604 10.2837 10.2837 10.3177 10.3177 10.3583 10.3583 10.4043 10.4043 10.4674 10.4674 11.2371 11.2371 11.2953 11.2953 11.6337 11.6337 11.6540 11.6540 11.7352 11.7352 11.7607 11.7607 12.0052 12.0052 12.0202 12.0202 12.0382 12.0382 12.0414 12.0414 12.5904 12.5904 12.6288 12.6288 k = 0.0606 0.1050 0.5474 ( 3058 PWs) bands (ev): -0.1151 -0.1151 -0.1062 -0.1062 5.9107 5.9107 5.9207 5.9207 6.3397 6.3397 6.3555 6.3555 7.4749 7.4749 7.5067 7.5067 9.1270 9.1270 9.1285 9.1285 9.5042 9.5042 9.5158 9.5158 9.9381 9.9381 9.9875 9.9875 10.0271 10.0271 10.0474 10.0474 10.2611 10.2611 10.2817 10.2817 10.3138 10.3138 10.3550 10.3550 10.3938 10.3938 10.4587 10.4587 11.2397 11.2397 11.3004 11.3004 11.6397 11.6397 11.6582 11.6582 11.7346 11.7346 11.7588 11.7588 12.0055 12.0055 12.0186 12.0186 12.0254 12.0254 12.0293 12.0293 12.6023 12.6023 12.6410 12.6410 k = 0.0530 0.0919 0.5474 ( 3058 PWs) bands (ev): -0.1191 -0.1191 -0.1102 -0.1102 5.9327 5.9327 5.9430 5.9430 6.3113 6.3113 6.3266 6.3266 7.4850 7.4850 7.5169 7.5169 9.1297 9.1297 9.1317 9.1317 9.5248 9.5248 9.5371 9.5371 9.9391 9.9391 9.9889 9.9889 10.0165 10.0165 10.0378 10.0378 10.2630 10.2630 10.2813 10.2813 10.3111 10.3111 10.3532 10.3532 10.3848 10.3848 10.4514 10.4514 11.2421 11.2421 11.3053 11.3053 11.6454 11.6454 11.6619 11.6619 11.7342 11.7342 11.7571 11.7571 12.0057 12.0057 12.0119 12.0119 12.0161 12.0161 12.0210 12.0210 12.6133 12.6133 12.6522 12.6522 k = 0.0455 0.0787 0.5474 ( 3058 PWs) bands (ev): -0.1227 -0.1227 -0.1137 -0.1137 5.9558 5.9558 5.9662 5.9662 6.2825 6.2825 6.2976 6.2976 7.4937 7.4937 7.5258 7.5258 9.1323 9.1323 9.1347 9.1347 9.5447 9.5447 9.5579 9.5579 9.9395 9.9395 9.9884 9.9884 10.0047 10.0047 10.0258 10.0258 10.2656 10.2656 10.2823 10.2823 10.3093 10.3093 10.3526 10.3526 10.3772 10.3772 10.4453 10.4453 11.2444 11.2444 11.3100 11.3100 11.6504 11.6504 11.6651 11.6651 11.7338 11.7338 11.7555 11.7555 12.0006 12.0006 12.0054 12.0054 12.0080 12.0080 12.0190 12.0190 12.6233 12.6233 12.6625 12.6625 k = 0.0379 0.0656 0.5474 ( 3058 PWs) bands (ev): -0.1257 -0.1257 -0.1166 -0.1166 5.9797 5.9797 5.9903 5.9903 6.2537 6.2537 6.2684 6.2684 7.5013 7.5013 7.5334 7.5334 9.1347 9.1347 9.1375 9.1375 9.5635 9.5635 9.5777 9.5777 9.9394 9.9394 9.9822 9.9822 9.9967 9.9967 10.0125 10.0125 10.2683 10.2683 10.2845 10.2845 10.3083 10.3083 10.3528 10.3528 10.3709 10.3709 10.4404 10.4404 11.2464 11.2464 11.3141 11.3141 11.6549 11.6549 11.6677 11.6677 11.7337 11.7337 11.7541 11.7541 11.9911 11.9911 11.9971 11.9971 12.0076 12.0076 12.0179 12.0179 12.6321 12.6321 12.6715 12.6715 k = 0.0303 0.0525 0.5474 ( 3062 PWs) bands (ev): -0.1282 -0.1282 -0.1191 -0.1191 6.0045 6.0045 6.0153 6.0153 6.2248 6.2248 6.2392 6.2392 7.5074 7.5074 7.5397 7.5397 9.1367 9.1367 9.1399 9.1399 9.5805 9.5805 9.5958 9.5958 9.9391 9.9391 9.9698 9.9698 9.9942 9.9942 9.9994 9.9994 10.2708 10.2708 10.2870 10.2870 10.3078 10.3078 10.3536 10.3536 10.3656 10.3656 10.4365 10.4365 11.2482 11.2482 11.3178 11.3178 11.6587 11.6587 11.6697 11.6697 11.7335 11.7335 11.7529 11.7529 11.9829 11.9829 11.9895 11.9895 12.0081 12.0081 12.0170 12.0170 12.6395 12.6395 12.6791 12.6791 k = 0.0227 0.0394 0.5474 ( 3066 PWs) bands (ev): -0.1302 -0.1302 -0.1210 -0.1210 6.0301 6.0301 6.0410 6.0410 6.1960 6.1960 6.2102 6.2102 7.5123 7.5123 7.5446 7.5446 9.1384 9.1384 9.1419 9.1419 9.5950 9.5950 9.6115 9.6115 9.9385 9.9385 9.9570 9.9570 9.9864 9.9864 9.9942 9.9942 10.2729 10.2729 10.2896 10.2896 10.3077 10.3077 10.3545 10.3545 10.3615 10.3615 10.4336 10.4336 11.2496 11.2496 11.3207 11.3207 11.6618 11.6618 11.6711 11.6711 11.7335 11.7335 11.7519 11.7519 11.9763 11.9763 11.9834 11.9834 12.0087 12.0087 12.0162 12.0162 12.6454 12.6454 12.6851 12.6851 k = 0.0152 0.0262 0.5474 ( 3066 PWs) bands (ev): -0.1316 -0.1316 -0.1224 -0.1224 6.0564 6.0564 6.0672 6.0672 6.1674 6.1674 6.1816 6.1816 7.5158 7.5158 7.5481 7.5481 9.1397 9.1397 9.1434 9.1434 9.6063 9.6063 9.6239 9.6239 9.9379 9.9379 9.9465 9.9465 9.9767 9.9767 9.9936 9.9936 10.2744 10.2744 10.2916 10.2916 10.3078 10.3078 10.3555 10.3555 10.3584 10.3584 10.4316 10.4316 11.2507 11.2507 11.3230 11.3230 11.6641 11.6641 11.6721 11.6721 11.7334 11.7334 11.7512 11.7512 11.9715 11.9715 11.9789 11.9789 12.0092 12.0092 12.0155 12.0155 12.6497 12.6497 12.6896 12.6896 k = 0.0076 0.0131 0.5474 ( 3066 PWs) bands (ev): -0.1325 -0.1325 -0.1233 -0.1233 6.0832 6.0832 6.0934 6.0934 6.1392 6.1392 6.1540 6.1540 7.5179 7.5179 7.5502 7.5502 9.1404 9.1404 9.1443 9.1443 9.6134 9.6134 9.6319 9.6319 9.9366 9.9366 9.9404 9.9404 9.9703 9.9703 9.9933 9.9933 10.2754 10.2754 10.2929 10.2929 10.3080 10.3080 10.3561 10.3561 10.3566 10.3566 10.4304 10.4304 11.2514 11.2514 11.3243 11.3243 11.6655 11.6655 11.6726 11.6726 11.7334 11.7334 11.7508 11.7508 11.9685 11.9685 11.9761 11.9761 12.0096 12.0096 12.0150 12.0150 12.6523 12.6523 12.6923 12.6923 k = 0.0000 0.0000 0.5474 ( 3066 PWs) bands (ev): -0.1328 -0.1328 -0.1236 -0.1236 6.1076 6.1076 6.1112 6.1112 6.1152 6.1152 6.1349 6.1349 7.5186 7.5186 7.5509 7.5509 9.1407 9.1407 9.1447 9.1447 9.6159 9.6159 9.6346 9.6346 9.9353 9.9353 9.9392 9.9392 9.9681 9.9681 9.9932 9.9932 10.2757 10.2757 10.2934 10.2934 10.3081 10.3081 10.3558 10.3558 10.3564 10.3564 10.4300 10.4300 11.2516 11.2516 11.3248 11.3248 11.6660 11.6660 11.6727 11.6727 11.7334 11.7334 11.7506 11.7506 11.9676 11.9676 11.9752 11.9752 12.0098 12.0098 12.0148 12.0148 12.6532 12.6532 12.6932 12.6932 k = 0.5000 0.2887 0.5474 ( 3044 PWs) bands (ev): 0.0385 0.0385 0.0422 0.0422 5.7646 5.7646 5.7669 5.7669 6.4980 6.4980 6.5050 6.5050 7.3202 7.3202 7.3402 7.3402 9.0725 9.0725 9.0743 9.0743 9.2998 9.2998 9.3067 9.3067 9.6456 9.6456 9.6617 9.6617 9.7152 9.7152 9.7203 9.7203 10.1574 10.1574 10.1691 10.1691 10.7471 10.7471 10.7905 10.7905 10.9908 10.9908 11.0002 11.0002 11.2326 11.2326 11.2562 11.2562 11.5498 11.5498 11.5527 11.5527 11.8994 11.8994 11.9051 11.9051 12.0808 12.0808 12.1007 12.1007 12.1775 12.1775 12.1825 12.1825 12.2907 12.2907 12.3033 12.3033 k = 0.5000 0.2887 0.5326 ( 3050 PWs) bands (ev): 0.0246 0.0283 0.0520 0.0557 5.7352 5.7377 5.7949 5.7971 6.4669 6.4737 6.5290 6.5361 7.3013 7.3219 7.3396 7.3590 9.0525 9.0539 9.0928 9.0949 9.2799 9.2860 9.3184 9.3260 9.6268 9.6377 9.6543 9.6780 9.7154 9.7175 9.7220 9.7320 10.1474 10.1583 10.1677 10.1801 10.7295 10.7599 10.7701 10.8056 10.9854 10.9941 11.0015 11.0125 11.2242 11.2380 11.2496 11.2602 11.5369 11.5391 11.5650 11.5686 11.8992 11.8997 11.9044 11.9055 12.0697 12.0837 12.0864 12.1129 12.1666 12.1747 12.1870 12.1893 12.2790 12.3006 12.3060 12.3117 k = 0.5000 0.2887 0.5178 ( 3052 PWs) bands (ev): 0.0103 0.0140 0.0652 0.0688 5.7069 5.7095 5.8260 5.8279 6.4358 6.4427 6.5595 6.5669 7.2831 7.3044 7.3593 7.3780 9.0331 9.0341 9.1134 9.1158 9.2591 9.2645 9.3357 9.3439 9.6034 9.6116 9.6514 9.6765 9.7276 9.7294 9.7337 9.7448 10.1378 10.1478 10.1783 10.1913 10.7084 10.7464 10.7668 10.8137 10.9863 10.9960 11.0159 11.0289 11.2136 11.2402 11.2411 11.2610 11.5266 11.5280 11.5819 11.5863 11.8990 11.9002 11.9036 11.9056 12.0547 12.0643 12.0862 12.1160 12.1589 12.1662 12.1933 12.1948 12.2712 12.3025 12.3248 12.3260 k = 0.5000 0.2887 0.5030 ( 3060 PWs) bands (ev): -0.0043 -0.0007 0.0778 0.0815 5.6797 5.6824 5.8578 5.8593 6.4052 6.4121 6.5892 6.5970 7.2661 7.2880 7.3790 7.3970 9.0141 9.0148 9.1340 9.1367 9.2377 9.2422 9.3513 9.3600 9.5781 9.5846 9.6427 9.6661 9.7419 9.7482 9.7512 9.7574 10.1284 10.1375 10.1892 10.2027 10.6849 10.7207 10.7677 10.8146 10.9933 11.0058 11.0324 11.0476 11.2014 11.2317 11.2392 11.2587 11.5187 11.5193 11.6000 11.6053 11.8988 11.9010 11.9028 11.9055 12.0372 12.0436 12.0810 12.1071 12.1570 12.1574 12.1960 12.1984 12.2675 12.3068 12.3456 12.3470 k = 0.5000 0.2887 0.4882 ( 3054 PWs) bands (ev): -0.0191 -0.0155 0.0900 0.0937 5.6537 5.6564 5.8899 5.8910 6.3753 6.3825 6.6180 6.6260 7.2505 7.2731 7.3984 7.4159 8.9958 8.9961 9.1541 9.1571 9.2162 9.2200 9.3650 9.3741 9.5521 9.5574 9.6324 9.6545 9.7531 9.7689 9.7701 9.7712 10.1193 10.1274 10.2006 10.2145 10.6600 10.6939 10.7641 10.8100 11.0049 11.0217 11.0496 11.0670 11.1890 11.2227 11.2360 11.2543 11.5126 11.5129 11.6189 11.6252 11.8988 11.9023 11.9024 11.9052 12.0187 12.0225 12.0722 12.0907 12.1475 12.1584 12.1963 12.2002 12.2673 12.3117 12.3693 12.3724 k = 0.5000 0.2887 0.4735 ( 3054 PWs) bands (ev): -0.0342 -0.0306 0.1017 0.1053 5.6289 5.6316 5.9221 5.9225 6.3466 6.3543 6.6453 6.6537 7.2368 7.2600 7.4174 7.4343 8.9782 8.9782 9.1705 9.1729 9.1985 9.2007 9.3763 9.3857 9.5258 9.5304 9.6222 9.6436 9.7632 9.7797 9.7905 9.7909 10.1105 10.1176 10.2125 10.2265 10.6345 10.6667 10.7573 10.8022 11.0188 11.0406 11.0654 11.0848 11.1782 11.2155 11.2322 11.2493 11.5075 11.5085 11.6380 11.6455 11.8987 11.9021 11.9040 11.9048 12.0002 12.0016 12.0605 12.0708 12.1390 12.1597 12.1955 12.2007 12.2696 12.3161 12.3962 12.4006 k = 0.5000 0.2887 0.4587 ( 3054 PWs) bands (ev): -0.0494 -0.0459 0.1129 0.1165 5.6053 5.6080 5.9531 5.9537 6.3197 6.3281 6.6708 6.6795 7.2255 7.2491 7.4359 7.4521 8.9609 8.9613 9.1635 9.1642 9.2033 9.2053 9.3852 9.3947 9.4999 9.5038 9.6131 9.6341 9.7720 9.7889 9.8098 9.8100 10.1021 10.1080 10.2249 10.2390 10.6085 10.6395 10.7489 10.7929 11.0322 11.0589 11.0777 11.0972 11.1725 11.2119 11.2301 11.2462 11.5032 11.5047 11.6567 11.6656 11.8985 11.9019 11.9049 11.9057 11.9814 11.9826 12.0460 12.0492 12.1327 12.1614 12.1939 12.2000 12.2732 12.3200 12.4254 12.4309 k = 0.5000 0.2887 0.4439 ( 3054 PWs) bands (ev): -0.0648 -0.0613 0.1236 0.1271 5.5830 5.5856 5.9818 5.9836 6.2956 6.3052 6.6941 6.7030 7.2169 7.2409 7.4535 7.4692 8.9443 8.9452 9.1415 9.1422 9.2203 9.2232 9.3912 9.4008 9.4751 9.4784 9.6056 9.6264 9.7793 9.7962 9.8273 9.8277 10.0939 10.0986 10.2379 10.2518 10.5827 10.6126 10.7402 10.7835 11.0427 11.0723 11.0842 11.1004 11.1770 11.2136 11.2327 11.2477 11.4992 11.5010 11.6747 11.6850 11.8982 11.9012 11.9057 11.9072 11.9624 11.9672 12.0271 12.0296 12.1297 12.1644 12.1919 12.1987 12.2778 12.3238 12.4564 12.4629 k = 0.5000 0.2887 0.4291 ( 3042 PWs) bands (ev): -0.0803 -0.0768 0.1337 0.1372 5.5619 5.5644 6.0070 6.0104 6.2761 6.2871 6.7148 6.7238 7.2118 7.2358 7.4703 7.4854 8.9287 8.9298 9.1180 9.1181 9.2377 9.2408 9.3944 9.4038 9.4522 9.4550 9.6002 9.6209 9.7849 9.8016 9.8431 9.8437 10.0859 10.0895 10.2516 10.2650 10.5572 10.5862 10.7318 10.7747 11.0484 11.0756 11.0837 11.0967 11.1922 11.2221 11.2421 11.2556 11.4952 11.4969 11.6917 11.7035 11.8966 11.8997 11.9065 11.9076 11.9456 11.9555 12.0055 12.0120 12.1305 12.1692 12.1899 12.1970 12.2829 12.3279 12.4890 12.4963 k = 0.5000 0.2887 0.4143 ( 3036 PWs) bands (ev): -0.0958 -0.0924 0.1432 0.1466 5.5420 5.5445 6.0262 6.0313 6.2636 6.2762 6.7325 6.7414 7.2103 7.2343 7.4859 7.5005 8.9138 8.9153 9.0934 9.0940 9.2525 9.2554 9.3947 9.4038 9.4328 9.4351 9.5966 9.6173 9.7885 9.8049 9.8570 9.8575 10.0782 10.0806 10.2657 10.2785 10.5322 10.5604 10.7244 10.7669 11.0480 11.0665 11.0775 11.0926 11.2146 11.2371 11.2578 11.2696 11.4912 11.4922 11.7070 11.7201 11.8916 11.8961 11.9062 11.9072 11.9328 11.9486 11.9861 11.9952 12.1351 12.1750 12.1891 12.1951 12.2882 12.3322 12.5228 12.5308 k = 0.5000 0.2887 0.3995 ( 3036 PWs) bands (ev): -0.1113 -0.1080 0.1522 0.1555 5.5234 5.5258 6.0367 6.0432 6.2613 6.2753 6.7469 6.7554 7.2130 7.2366 7.5004 7.5144 8.8997 8.9016 9.0685 9.0698 9.2622 9.2647 9.3924 9.4008 9.4190 9.4209 9.5948 9.6154 9.7903 9.8061 9.8690 9.8693 10.0707 10.0720 10.2805 10.2924 10.5078 10.5353 10.7182 10.7605 11.0410 11.0504 11.0693 11.0878 11.2410 11.2573 11.2774 11.2882 11.4868 11.4873 11.7202 11.7345 11.8823 11.8879 11.9025 11.9065 11.9260 11.9443 11.9714 11.9817 12.1431 12.1776 12.1933 12.1938 12.2938 12.3370 12.5574 12.5659 k = 0.5000 0.2887 0.3847 ( 3036 PWs) bands (ev): -0.1267 -0.1235 0.1606 0.1638 5.5059 5.5082 6.0373 6.0443 6.2710 6.2854 6.7579 6.7658 7.2198 7.2427 7.5135 7.5270 8.8866 8.8887 9.0436 9.0455 9.2643 9.2661 9.3879 9.3954 9.4137 9.4151 9.5943 9.6148 9.7901 9.8053 9.8789 9.8790 10.0634 10.0636 10.2958 10.3064 10.4842 10.5113 10.7136 10.7556 11.0271 11.0311 11.0628 11.0824 11.2697 11.2813 11.2988 11.3094 11.4810 11.4840 11.7312 11.7462 11.8704 11.8758 11.8927 11.9028 11.9252 11.9404 11.9643 11.9755 12.1537 12.1759 12.1924 12.2053 12.2998 12.3424 12.5925 12.6014 k = 0.5000 0.2887 0.3699 ( 3040 PWs) bands (ev): -0.1420 -0.1389 0.1684 0.1716 5.4896 5.4918 6.0290 6.0358 6.2915 6.3056 6.7656 6.7727 7.2307 7.2527 7.5253 7.5383 8.8743 8.8767 9.0187 9.0213 9.2577 9.2586 9.3815 9.3888 9.4177 9.4181 9.5948 9.6150 9.7880 9.8024 9.8865 9.8866 10.0555 10.0564 10.3112 10.3203 10.4618 10.4885 10.7105 10.7521 11.0084 11.0101 11.0584 11.0776 11.2988 11.3077 11.3207 11.3316 11.4752 11.4819 11.7396 11.7547 11.8577 11.8626 11.8765 11.8923 11.9291 11.9397 11.9639 11.9759 12.1648 12.1729 12.1941 12.2205 12.3062 12.3484 12.6279 12.6372 k = 0.5000 0.2887 0.3551 ( 3036 PWs) bands (ev): -0.1572 -0.1541 0.1757 0.1787 5.4744 5.4765 6.0146 6.0208 6.3196 6.3331 6.7702 6.7763 7.2454 7.2663 7.5356 7.5482 8.8630 8.8657 8.9940 8.9971 9.2438 9.2442 9.3739 9.3812 9.4285 9.4291 9.5957 9.6157 9.7842 9.7977 9.8919 9.8924 10.0480 10.0497 10.3265 10.3337 10.4410 10.4676 10.7091 10.7502 10.9873 10.9882 11.0559 11.0741 11.3252 11.3353 11.3436 11.3535 11.4702 11.4821 11.7454 11.7597 11.8451 11.8492 11.8574 11.8762 11.9363 11.9439 11.9675 11.9795 12.1695 12.1717 12.2027 12.2381 12.3134 12.3554 12.6634 12.6730 k = 0.5000 0.2887 0.3403 ( 3044 PWs) bands (ev): -0.1721 -0.1691 0.1824 0.1854 5.4603 5.4623 5.9964 6.0019 6.3527 6.3654 6.7720 6.7771 7.2635 7.2831 7.5443 7.5566 8.8526 8.8554 8.9694 8.9732 9.2255 9.2255 9.3654 9.3728 9.4438 9.4451 9.5966 9.6162 9.7788 9.7912 9.8952 9.8960 10.0408 10.0433 10.3402 10.3453 10.4229 10.4496 10.7090 10.7497 10.9649 10.9656 11.0551 11.0724 11.3441 11.3626 11.3705 11.3738 11.4672 11.4855 11.7482 11.7610 11.8323 11.8326 11.8416 11.8582 11.9457 11.9514 11.9728 11.9843 12.1659 12.1730 12.2189 12.2569 12.3223 12.3638 12.6987 12.7085 k = 0.5000 0.2887 0.3255 ( 3052 PWs) bands (ev): -0.1868 -0.1840 0.1885 0.1914 5.4472 5.4491 5.9762 5.9810 6.3887 6.4007 6.7716 6.7756 7.2843 7.3025 7.5516 7.5634 8.8431 8.8461 8.9452 8.9494 9.2047 9.2047 9.3564 9.3638 9.4618 9.4635 9.5972 9.6163 9.7719 9.7832 9.8966 9.8977 10.0343 10.0375 10.3492 10.3531 10.4107 10.4364 10.7103 10.7504 10.9421 10.9429 11.0562 11.0726 11.3552 11.3829 11.3965 11.4002 11.4683 11.4928 11.7483 11.7590 11.8114 11.8193 11.8315 11.8416 11.9569 11.9609 11.9791 11.9897 12.1623 12.1719 12.2386 12.2752 12.3344 12.3743 12.7337 12.7436 k = 0.5000 0.2887 0.3107 ( 3056 PWs) bands (ev): -0.2012 -0.1984 0.1942 0.1970 5.4352 5.4369 5.9549 5.9592 6.4266 6.4381 6.7694 6.7724 7.3072 7.3242 7.5572 7.5688 8.8345 8.8376 8.9212 8.9259 9.1829 9.1830 9.3473 9.3546 9.4813 9.4832 9.5972 9.6157 9.7638 9.7741 9.8961 9.8976 10.0286 10.0323 10.3479 10.3536 10.4100 10.4316 10.7127 10.7523 10.9195 10.9205 11.0592 11.0751 11.3604 11.3911 11.4240 11.4304 11.4754 11.5038 11.7461 11.7543 11.7902 11.8037 11.8239 11.8292 11.9692 11.9715 11.9857 11.9952 12.1587 12.1700 12.2587 12.2906 12.3516 12.3876 12.7682 12.7782 k = 0.5000 0.2887 0.2959 ( 3054 PWs) bands (ev): -0.2153 -0.2126 0.1994 0.2020 5.4241 5.4257 5.9334 5.9373 6.4656 6.4766 6.7658 6.7679 7.3318 7.3475 7.5614 7.5727 8.8270 8.8301 8.8977 8.9028 9.1610 9.1610 9.3383 9.3455 9.5015 9.5034 9.5965 9.6143 9.7547 9.7640 9.8941 9.8958 10.0237 10.0278 10.3368 10.3459 10.4201 10.4359 10.7161 10.7552 10.8974 10.8985 11.0642 11.0796 11.3614 11.3916 11.4519 11.4601 11.4875 11.5168 11.7418 11.7475 11.7701 11.7862 11.8182 11.8212 11.9820 11.9830 11.9928 12.0008 12.1554 12.1680 12.2776 12.3023 12.3749 12.4050 12.8020 12.8121 k = 0.5000 0.2887 0.2811 ( 3052 PWs) bands (ev): -0.2289 -0.2263 0.2040 0.2066 5.4139 5.4154 5.9120 5.9155 6.5051 6.5157 6.7614 6.7627 7.3575 7.3721 7.5640 7.5751 8.8204 8.8236 8.8746 8.8801 9.1391 9.1391 9.3292 9.3364 9.5216 9.5234 9.5948 9.6119 9.7450 9.7532 9.8905 9.8925 10.0198 10.0243 10.3218 10.3330 10.4351 10.4463 10.7201 10.7589 10.8763 10.8773 11.0709 11.0861 11.3594 11.3876 11.4790 11.4886 11.5016 11.5300 11.7364 11.7398 11.7520 11.7688 11.8139 11.8161 11.9935 11.9943 12.0015 12.0068 12.1520 12.1658 12.2938 12.3107 12.4032 12.4270 12.8351 12.8451 k = 0.5000 0.2887 0.2663 ( 3056 PWs) bands (ev): -0.2421 -0.2397 0.2083 0.2107 5.4045 5.4060 5.8909 5.8941 6.5449 6.5551 6.7563 6.7570 7.3839 7.3973 7.5652 7.5761 8.8147 8.8178 8.8520 8.8578 9.1176 9.1177 9.3203 9.3274 9.5412 9.5429 9.5922 9.6085 9.7349 9.7420 9.8857 9.8878 10.0170 10.0217 10.3058 10.3180 10.4519 10.4596 10.7244 10.7632 10.8565 10.8569 11.0792 11.0943 11.3557 11.3812 11.5047 11.5147 11.5151 11.5411 11.7306 11.7321 11.7373 11.7531 11.8108 11.8129 12.0015 12.0042 12.0135 12.0144 12.1487 12.1636 12.3069 12.3173 12.4350 12.4537 12.8669 12.8769 k = 0.5000 0.2887 0.2515 ( 3056 PWs) bands (ev): -0.2548 -0.2525 0.2120 0.2143 5.3960 5.3973 5.8705 5.8734 6.5845 6.5944 6.7509 6.7511 7.4106 7.4229 7.5649 7.5757 8.8099 8.8130 8.8300 8.8359 9.0969 9.0970 9.3118 9.3187 9.5598 9.5611 9.5889 9.6044 9.7248 9.7309 9.8798 9.8821 10.0153 10.0201 10.2897 10.3024 10.4694 10.4742 10.7285 10.7680 10.8378 10.8386 11.0890 11.1040 11.3509 11.3737 11.5240 11.5290 11.5377 11.5488 11.7253 11.7254 11.7274 11.7403 11.8086 11.8112 12.0078 12.0110 12.0247 12.0269 12.1456 12.1616 12.3172 12.3227 12.4691 12.4842 12.8978 12.9075 k = 0.5000 0.2887 0.2367 ( 3052 PWs) bands (ev): -0.2671 -0.2649 0.2154 0.2176 5.3882 5.3894 5.8508 5.8535 6.6239 6.6333 6.7454 6.7454 7.4374 7.4486 7.5633 7.5741 8.8060 8.8078 8.8098 8.8147 9.0768 9.0770 9.3034 9.3102 9.5749 9.5757 9.5877 9.6005 9.7152 9.7202 9.8731 9.8754 10.0148 10.0196 10.2743 10.2870 10.4872 10.4894 10.7317 10.7728 10.8203 10.8234 11.1000 11.1151 11.3457 11.3657 11.5289 11.5452 11.5496 11.5615 11.7213 11.7217 11.7231 11.7320 11.8076 11.8108 12.0133 12.0161 12.0366 12.0405 12.1431 12.1601 12.3253 12.3274 12.5047 12.5177 12.9274 12.9369 k = 0.5000 0.2887 0.2219 ( 3048 PWs) bands (ev): -0.2787 -0.2766 0.2184 0.2205 5.3812 5.3823 5.8320 5.8345 6.6626 6.6714 6.7401 6.7402 7.4639 7.4739 7.5605 7.5714 8.7877 8.7940 8.8032 8.8062 9.0577 9.0579 9.2953 9.3020 9.5747 9.5831 9.5976 9.6023 9.7067 9.7108 9.8658 9.8682 10.0152 10.0201 10.2595 10.2721 10.5047 10.5047 10.7331 10.7767 10.8055 10.8118 11.1119 11.1272 11.3403 11.3575 11.5275 11.5390 11.5667 11.5758 11.7190 11.7201 11.7253 11.7298 11.8077 11.8116 12.0182 12.0204 12.0486 12.0537 12.1414 12.1592 12.3316 12.3318 12.5414 12.5531 12.9556 12.9648 k = 0.5000 0.2887 0.2071 ( 3052 PWs) bands (ev): -0.2898 -0.2878 0.2210 0.2230 5.3748 5.3758 5.8142 5.8165 6.7002 6.7068 6.7354 6.7371 7.4898 7.4984 7.5565 7.5679 8.7677 8.7740 8.8010 8.8038 9.0394 9.0398 9.2873 9.2938 9.5688 9.5792 9.6093 9.6118 9.7005 9.7034 9.8579 9.8603 10.0166 10.0215 10.2455 10.2577 10.5197 10.5218 10.7318 10.7758 10.7971 10.8048 11.1246 11.1401 11.3349 11.3492 11.5200 11.5261 11.5789 11.5846 11.7181 11.7224 11.7331 11.7337 11.8093 11.8137 12.0226 12.0240 12.0601 12.0657 12.1410 12.1594 12.3354 12.3371 12.5785 12.5894 12.9823 12.9911 k = 0.5000 0.2887 0.1923 ( 3056 PWs) bands (ev): -0.3003 -0.2984 0.2233 0.2251 5.3690 5.3699 5.7973 5.7994 6.7231 6.7260 6.7418 6.7525 7.5146 7.5210 7.5520 7.5646 8.7484 8.7547 8.7996 8.8022 9.0222 9.0226 9.2796 9.2859 9.5617 9.5718 9.6172 9.6197 9.6978 9.6997 9.8498 9.8521 10.0189 10.0237 10.2324 10.2442 10.5344 10.5383 10.7278 10.7674 10.7980 10.8024 11.1377 11.1534 11.3297 11.3410 11.5077 11.5090 11.5859 11.5877 11.7200 11.7277 11.7419 11.7442 11.8129 11.8173 12.0265 12.0272 12.0703 12.0757 12.1431 12.1611 12.3389 12.3415 12.6155 12.6259 13.0075 13.0158 k = 0.5000 0.2887 0.1775 ( 3056 PWs) bands (ev): -0.3101 -0.3084 0.2253 0.2270 5.3637 5.3645 5.7816 5.7835 6.7209 6.7236 6.7757 6.7859 7.5349 7.5375 7.5500 7.5656 8.7300 8.7362 8.7990 8.8015 9.0062 9.0066 9.2721 9.2782 9.5539 9.5633 9.6201 9.6228 9.6997 9.7008 9.8416 9.8438 10.0220 10.0266 10.2200 10.2313 10.5484 10.5538 10.7223 10.7571 10.8027 10.8038 11.1510 11.1670 11.3250 11.3331 11.4891 11.4918 11.5862 11.5880 11.7245 11.7344 11.7528 11.7574 11.8188 11.8226 12.0300 12.0300 12.0786 12.0826 12.1485 12.1650 12.3422 12.3453 12.6522 12.6623 13.0311 13.0388 k = 0.5000 0.2887 0.1627 ( 3056 PWs) bands (ev): -0.3192 -0.3176 0.2271 0.2286 5.3591 5.3598 5.7669 5.7687 6.7171 6.7195 6.8103 6.8199 7.5354 7.5400 7.5660 7.5787 8.7126 8.7186 8.7991 8.8013 8.9912 8.9916 9.2649 9.2707 9.5459 9.5545 9.6183 9.6210 9.7056 9.7063 9.8335 9.8355 10.0257 10.0301 10.2087 10.2194 10.5615 10.5679 10.7170 10.7480 10.8076 10.8082 11.1645 11.1807 11.3207 11.3255 11.4675 11.4737 11.5815 11.5863 11.7302 11.7408 11.7652 11.7714 11.8270 11.8294 12.0324 12.0329 12.0844 12.0859 12.1575 12.1717 12.3452 12.3486 12.6878 12.6975 13.0529 13.0601 k = 0.5000 0.2887 0.1480 ( 3056 PWs) bands (ev): -0.3276 -0.3262 0.2286 0.2300 5.3550 5.3556 5.7534 5.7550 6.7134 6.7157 6.8437 6.8528 7.5286 7.5347 7.5874 7.5975 8.6962 8.7020 8.7998 8.8018 8.9774 8.9779 9.2579 9.2634 9.5379 9.5455 9.6137 9.6161 9.7139 9.7144 9.8256 9.8274 10.0298 10.0340 10.1984 10.2084 10.5733 10.5801 10.7130 10.7409 10.8126 10.8138 11.1777 11.1941 11.3169 11.3181 11.4450 11.4545 11.5750 11.5820 11.7358 11.7460 11.7785 11.7855 11.8373 11.8378 12.0343 12.0353 12.0862 12.0874 12.1695 12.1809 12.3480 12.3515 12.7220 12.7313 13.0728 13.0794 k = 0.5000 0.2887 0.1332 ( 3050 PWs) bands (ev): -0.3353 -0.3340 0.2298 0.2311 5.3513 5.3518 5.7412 5.7426 6.7101 6.7122 6.8754 6.8840 7.5208 7.5272 7.6079 7.6166 8.6809 8.6865 8.8010 8.8028 8.9649 8.9654 9.2512 9.2564 9.5300 9.5368 9.6076 9.6098 9.7229 9.7235 9.8182 9.8197 10.0342 10.0381 10.1890 10.1984 10.5836 10.5900 10.7115 10.7362 10.8182 10.8194 11.1906 11.2072 11.3112 11.3138 11.4223 11.4348 11.5677 11.5761 11.7409 11.7498 11.7919 11.7992 11.8472 11.8488 12.0359 12.0371 12.0846 12.0881 12.1834 12.1923 12.3507 12.3541 12.7544 12.7633 13.0911 13.0969 k = 0.5000 0.2887 0.1184 ( 3050 PWs) bands (ev): -0.3422 -0.3411 0.2309 0.2321 5.3481 5.3486 5.7301 5.7314 6.7071 6.7091 6.9052 6.9134 7.5124 7.5189 7.6271 7.6347 8.6669 8.6721 8.8026 8.8042 8.9536 8.9540 9.2448 9.2496 9.5225 9.5284 9.6011 9.6029 9.7319 9.7324 9.8112 9.8123 10.0387 10.0423 10.1807 10.1893 10.5919 10.5972 10.7128 10.7340 10.8239 10.8246 11.2029 11.2195 11.3045 11.3111 11.3997 11.4155 11.5599 11.5692 11.7450 11.7525 11.8049 11.8121 11.8572 11.8606 12.0370 12.0385 12.0821 12.0872 12.1980 12.2050 12.3532 12.3563 12.7846 12.7929 13.1075 13.1126 k = 0.5000 0.2887 0.1036 ( 3050 PWs) bands (ev): -0.3484 -0.3474 0.2318 0.2328 5.3453 5.3457 5.7203 5.7214 6.7046 6.7063 6.9329 6.9404 7.5039 7.5102 7.6445 7.6511 8.6543 8.6590 8.8045 8.8059 8.9436 8.9440 9.2388 9.2431 9.5155 9.5206 9.5948 9.5963 9.7403 9.7407 9.8048 9.8056 10.0431 10.0464 10.1734 10.1811 10.5982 10.6018 10.7169 10.7344 10.8294 10.8295 11.2145 11.2311 11.2984 11.3091 11.3777 11.3970 11.5523 11.5620 11.7481 11.7542 11.8172 11.8240 11.8672 11.8720 12.0377 12.0393 12.0791 12.0852 12.2126 12.2181 12.3556 12.3584 12.8122 12.8198 13.1219 13.1263 k = 0.5000 0.2887 0.0888 ( 3054 PWs) bands (ev): -0.3538 -0.3529 0.2326 0.2334 5.3430 5.3433 5.7118 5.7128 6.7024 6.7039 6.9581 6.9649 7.4956 7.5014 7.6601 7.6658 8.6431 8.6473 8.8066 8.8078 8.9348 8.9352 9.2332 9.2371 9.5092 9.5135 9.5888 9.5901 9.7478 9.7480 9.7991 9.7994 10.0473 10.0502 10.1672 10.1740 10.6024 10.6043 10.7230 10.7369 10.8339 10.8346 11.2250 11.2415 11.2927 11.3076 11.3568 11.3797 11.5452 11.5548 11.7507 11.7555 11.8286 11.8347 11.8769 11.8825 12.0381 12.0397 12.0760 12.0825 12.2266 12.2309 12.3578 12.3602 12.8369 12.8436 13.1345 13.1381 k = 0.5000 0.2887 0.0740 ( 3060 PWs) bands (ev): -0.3583 -0.3576 0.2332 0.2339 5.3410 5.3413 5.7046 5.7054 6.7006 6.7019 6.9804 6.9865 7.4878 7.4930 7.6737 7.6784 8.6335 8.6371 8.8088 8.8098 8.9274 8.9278 9.2283 9.2316 9.5038 9.5073 9.5836 9.5845 9.7542 9.7543 9.7941 9.7942 10.0511 10.0535 10.1621 10.1678 10.6049 10.6053 10.7303 10.7409 10.8379 10.8391 11.2342 11.2506 11.2879 11.3066 11.3373 11.3641 11.5389 11.5479 11.7526 11.7563 11.8388 11.8441 11.8859 11.8917 12.0382 12.0396 12.0730 12.0794 12.2395 12.2428 12.3598 12.3619 12.8584 12.8642 13.1450 13.1479 k = 0.5000 0.2887 0.0592 ( 3052 PWs) bands (ev): -0.3621 -0.3615 0.2337 0.2343 5.3394 5.3396 5.6987 5.6993 6.6993 6.7003 6.9996 7.0047 7.4808 7.4853 7.6852 7.6890 8.6255 8.6285 8.8108 8.8116 8.9214 8.9217 9.2241 9.2268 9.4993 9.5021 9.5792 9.5800 9.7592 9.7596 9.7898 9.7903 10.0545 10.0565 10.1580 10.1626 10.6057 10.6062 10.7379 10.7457 10.8415 10.8431 11.2422 11.2583 11.2843 11.3064 11.3200 11.3505 11.5337 11.5417 11.7541 11.7569 11.8476 11.8519 11.8940 11.8995 12.0382 12.0394 12.0704 12.0762 12.2507 12.2532 12.3617 12.3634 12.8764 12.8812 13.1538 13.1559 k = 0.5000 0.2887 0.0444 ( 3052 PWs) bands (ev): -0.3650 -0.3645 0.2341 0.2345 5.3382 5.3384 5.6941 5.6946 6.6982 6.6991 7.0153 7.0193 7.4750 7.4786 7.6943 7.6972 8.6193 8.6216 8.8126 8.8131 8.9166 8.9169 9.2207 9.2228 9.4958 9.4978 9.5757 9.5763 9.7629 9.7636 9.7865 9.7873 10.0572 10.0588 10.1549 10.1585 10.6057 10.6066 10.7448 10.7503 10.8444 10.8460 11.2486 11.2640 11.2821 11.3045 11.3076 11.3389 11.5298 11.5362 11.7553 11.7573 11.8547 11.8580 11.9008 11.9055 12.0380 12.0390 12.0684 12.0732 12.2599 12.2616 12.3634 12.3646 12.8908 12.8945 13.1605 13.1620 k = 0.5000 0.2887 0.0296 ( 3050 PWs) bands (ev): -0.3670 -0.3667 0.2344 0.2347 5.3373 5.3374 5.6909 5.6912 6.6976 6.6981 7.0271 7.0298 7.4708 7.4732 7.7011 7.7030 8.6149 8.6164 8.8139 8.8143 8.9132 8.9133 9.2183 9.2197 9.4933 9.4947 9.5732 9.5736 9.7655 9.7663 9.7843 9.7852 10.0593 10.0604 10.1529 10.1553 10.6057 10.6065 10.7504 10.7539 10.8467 10.8481 11.2537 11.2671 11.2816 11.2936 11.3086 11.3293 11.5273 11.5318 11.7562 11.7575 11.8601 11.8623 11.9062 11.9096 12.0380 12.0387 12.0672 12.0706 12.2666 12.2677 12.3648 12.3655 12.9014 12.9039 13.1654 13.1664 k = 0.5000 0.2887 0.0148 ( 3054 PWs) bands (ev): -0.3682 -0.3681 0.2346 0.2347 5.3368 5.3369 5.6889 5.6891 6.6972 6.6975 7.0346 7.0360 7.4683 7.4696 7.7053 7.7063 8.6124 8.6132 8.8148 8.8150 8.9112 8.9113 9.2170 9.2177 9.4920 9.4926 9.5717 9.5719 9.7670 9.7676 9.7833 9.7839 10.0607 10.0612 10.1519 10.1531 10.6057 10.6062 10.7542 10.7559 10.8483 10.8491 11.2582 11.2664 11.2822 11.2867 11.3113 11.3216 11.5262 11.5285 11.7568 11.7574 11.8636 11.8647 11.9099 11.9117 12.0379 12.0382 12.0667 12.0685 12.2708 12.2714 12.3657 12.3661 12.9081 12.9093 13.1684 13.1688 k = 0.5000 0.2887-0.0000 ( 3054 PWs) bands (ev): -0.3686 -0.3686 0.2347 0.2347 5.3367 5.3367 5.6883 5.6883 6.6972 6.6972 7.0376 7.0376 7.4679 7.4679 7.7071 7.7071 8.6118 8.6118 8.8152 8.8152 8.9105 8.9105 9.2168 9.2168 9.4917 9.4917 9.5713 9.5713 9.7678 9.7678 9.7832 9.7832 10.0613 10.0613 10.1520 10.1520 10.6059 10.6059 10.7561 10.7561 10.8492 10.8492 11.2627 11.2627 11.2836 11.2836 11.3156 11.3156 11.5266 11.5266 11.7572 11.7572 11.8651 11.8651 11.9118 11.9118 12.0380 12.0380 12.0672 12.0672 12.2724 12.2724 12.3661 12.3661 12.9107 12.9107 13.1695 13.1695 k = 0.3333 0.5774-0.0000 ( 3048 PWs) bands (ev): -0.0540 -0.0503 -0.0503 -0.0461 4.9916 4.9916 6.1993 6.1993 6.2042 6.2201 7.3135 7.3208 7.3208 7.3397 8.0359 8.0359 8.6262 8.6262 8.9437 8.9464 8.9464 8.9521 9.2936 9.2936 9.2969 9.2981 9.3055 9.3055 9.4195 9.4195 9.9791 9.9957 9.9957 10.0147 10.1471 10.1471 10.6321 10.6678 10.6926 10.6926 10.8154 10.8154 11.4752 11.4752 11.5192 11.5192 11.5446 11.5473 11.7356 11.7605 11.7714 11.7714 11.8051 11.8051 11.8315 11.8315 11.8364 11.8431 11.8627 11.8627 12.0787 12.0787 12.2694 12.2865 12.2865 12.3052 13.5751 13.5751 k = 0.3333 0.5774 0.0148 ( 3048 PWs) bands (ev): -0.0549 -0.0532 -0.0471 -0.0448 4.9927 4.9927 6.1728 6.1841 6.2261 6.2406 7.2931 7.2956 7.3470 7.3561 8.0321 8.0340 8.6275 8.6298 8.9283 8.9296 8.9653 8.9669 9.2871 9.2906 9.3006 9.3053 9.3054 9.3064 9.4187 9.4192 9.9778 9.9883 10.0038 10.0168 10.1475 10.1478 10.6304 10.6688 10.6857 10.6988 10.8145 10.8149 11.4751 11.4762 11.5189 11.5203 11.5448 11.5476 11.7335 11.7622 11.7651 11.7768 11.8016 11.8070 11.8300 11.8311 11.8332 11.8460 11.8606 11.8661 12.0771 12.0803 12.2677 12.2795 12.2926 12.3059 13.5035 13.5362 k = 0.3333 0.5774 0.0296 ( 3048 PWs) bands (ev): -0.0566 -0.0557 -0.0434 -0.0419 4.9960 4.9960 6.1468 6.1583 6.2533 6.2676 7.2639 7.2675 7.3714 7.3794 8.0227 8.0265 8.6337 8.6382 8.9113 8.9131 8.9847 8.9858 9.2815 9.2848 9.3046 9.3052 9.3115 9.3144 9.4168 9.4177 9.9747 9.9818 10.0125 10.0221 10.1489 10.1496 10.6258 10.6716 10.6780 10.7042 10.8123 10.8132 11.4759 11.4782 11.5194 11.5222 11.5455 11.5484 11.7282 11.7581 11.7661 11.7812 11.7970 11.8066 11.8277 11.8281 11.8284 11.8503 11.8599 11.8699 12.0756 12.0819 12.2629 12.2713 12.2976 12.3076 13.4320 13.4636 k = 0.3333 0.5774 0.0444 ( 3039 PWs) bands (ev): -0.0583 -0.0577 -0.0394 -0.0383 5.0014 5.0015 6.1212 6.1325 6.2808 6.2953 7.2334 7.2372 7.3942 7.4020 8.0083 8.0136 8.6446 8.6511 8.8958 8.8978 9.0043 9.0050 9.2769 9.2799 9.3052 9.3054 9.3212 9.3248 9.4139 9.4152 9.9710 9.9760 10.0218 10.0295 10.1515 10.1524 10.6193 10.6695 10.6752 10.7088 10.8089 10.8103 11.4777 11.4811 11.5205 11.5250 11.5467 11.5499 11.7211 11.7504 11.7709 11.7836 11.7912 11.8041 11.8220 11.8234 11.8281 11.8541 11.8598 11.8736 12.0743 12.0834 12.2559 12.2622 12.3017 12.3096 13.3611 13.3914 k = 0.3333 0.5774 0.0592 ( 3033 PWs) bands (ev): -0.0598 -0.0594 -0.0351 -0.0342 5.0091 5.0092 6.0962 6.1072 6.3084 6.3234 7.2015 7.2053 7.4151 7.4231 7.9892 7.9959 8.6595 8.6677 8.8817 8.8839 9.0238 9.0242 9.2731 9.2759 9.3052 9.3058 9.3326 9.3365 9.4100 9.4117 9.9675 9.9713 10.0316 10.0382 10.1549 10.1561 10.6114 10.6605 10.6792 10.7127 10.8044 10.8064 11.4805 11.4848 11.5224 11.5287 11.5483 11.5519 11.7129 11.7420 11.7759 11.7819 11.7841 11.8021 11.8165 11.8179 11.8294 11.8573 11.8597 11.8768 12.0730 12.0845 12.2469 12.2517 12.3048 12.3114 13.2909 13.3198 k = 0.3333 0.5774 0.0740 ( 3039 PWs) bands (ev): -0.0609 -0.0605 -0.0305 -0.0297 5.0189 5.0190 6.0717 6.0824 6.3363 6.3516 7.1685 7.1721 7.4342 7.4424 7.9659 7.9738 8.6778 8.6876 8.8693 8.8717 9.0428 9.0429 9.2701 9.2726 9.3052 9.3060 9.3455 9.3495 9.4054 9.4074 9.9645 9.9675 10.0417 10.0477 10.1590 10.1605 10.6026 10.6508 10.6829 10.7157 10.7988 10.8014 11.4840 11.4892 11.5247 11.5332 11.5498 11.5545 11.7038 11.7326 11.7746 11.7755 11.7802 11.8029 11.8118 11.8124 11.8315 11.8590 11.8595 11.8792 12.0716 12.0851 12.2363 12.2401 12.3069 12.3126 13.2215 13.2490 k = 0.3333 0.5774 0.0888 ( 3033 PWs) bands (ev): -0.0615 -0.0613 -0.0257 -0.0249 5.0308 5.0310 6.0478 6.0582 6.3642 6.3800 7.1344 7.1378 7.4513 7.4599 7.9391 7.9479 8.6993 8.7104 8.8588 8.8614 9.0609 9.0611 9.2679 9.2701 9.3050 9.3059 9.3600 9.3641 9.4005 9.4027 9.9624 9.9648 10.0521 10.0578 10.1637 10.1655 10.5930 10.6405 10.6865 10.7180 10.7923 10.7958 11.4882 11.4942 11.5275 11.5387 11.5513 11.5580 11.6942 11.7226 11.7640 11.7655 11.7833 11.8053 11.8072 11.8088 11.8341 11.8580 11.8607 11.8809 12.0703 12.0854 12.2244 12.2274 12.3083 12.3132 13.1533 13.1791 k = 0.3333 0.5774 0.1036 ( 3033 PWs) bands (ev): -0.0618 -0.0615 -0.0206 -0.0199 5.0449 5.0451 6.0246 6.0347 6.3921 6.4085 7.0994 7.1026 7.4665 7.4755 7.9091 7.9185 8.7232 8.7354 8.8503 8.8530 9.0780 9.0784 9.2664 9.2685 9.3046 9.3055 9.3760 9.3801 9.3954 9.3977 9.9611 9.9632 10.0627 10.0684 10.1688 10.1708 10.5828 10.6297 10.6899 10.7195 10.7850 10.7896 11.4929 11.4997 11.5306 11.5451 11.5522 11.5624 11.6843 11.7118 11.7516 11.7543 11.7839 11.8025 11.8081 11.8086 11.8369 11.8563 11.8609 11.8818 12.0688 12.0850 12.2113 12.2135 12.3088 12.3132 13.0864 13.1104 k = 0.3333 0.5774 0.1184 ( 3039 PWs) bands (ev): -0.0616 -0.0614 -0.0153 -0.0147 5.0612 5.0614 6.0021 6.0119 6.4200 6.4369 7.0636 7.0665 7.4798 7.4892 7.8762 7.8861 8.7492 8.7623 8.8438 8.8465 9.0939 9.0944 9.2658 9.2676 9.3038 9.3046 9.3903 9.3927 9.3936 9.3976 9.9609 9.9628 10.0733 10.0791 10.1740 10.1761 10.5721 10.6185 10.6931 10.7202 10.7772 10.7833 11.4980 11.5054 11.5339 11.5521 11.5523 11.5676 11.6743 11.7002 11.7382 11.7420 11.7818 11.7980 11.8108 11.8114 11.8395 11.8544 11.8599 11.8819 12.0669 12.0838 12.1971 12.1986 12.3084 12.3124 13.0208 13.0429 k = 0.3333 0.5774 0.1332 ( 3033 PWs) bands (ev): -0.0609 -0.0607 -0.0099 -0.0093 5.0796 5.0799 5.9804 5.9899 6.4476 6.4652 7.0272 7.0299 7.4910 7.5009 7.8408 7.8511 8.7769 8.7908 8.8396 8.8424 9.1085 9.1092 9.2658 9.2674 9.3025 9.3030 9.3860 9.3881 9.4126 9.4167 9.9619 9.9635 10.0841 10.0900 10.1791 10.1814 10.5611 10.6070 10.6963 10.7201 10.7691 10.7772 11.5034 11.5113 11.5373 11.5505 11.5604 11.5737 11.6650 11.6880 11.7242 11.7290 11.7783 11.7938 11.8137 11.8160 11.8417 11.8524 11.8578 11.8817 12.0649 12.0820 12.1820 12.1828 12.3074 12.3110 12.9568 12.9767 k = 0.3333 0.5774 0.1480 ( 3033 PWs) bands (ev): -0.0598 -0.0596 -0.0044 -0.0038 5.1000 5.1003 5.9596 5.9688 6.4749 6.4931 6.9906 6.9928 7.5004 7.5108 7.8032 7.8136 8.8060 8.8206 8.8376 8.8404 9.1216 9.1225 9.2666 9.2680 9.3005 9.3005 9.3825 9.3842 9.4329 9.4370 9.9638 9.9654 10.0946 10.1008 10.1838 10.1861 10.5498 10.5953 10.6994 10.7191 10.7610 10.7718 11.5086 11.5168 11.5405 11.5468 11.5692 11.5806 11.6568 11.6755 11.7102 11.7155 11.7743 11.7900 11.8165 11.8210 11.8427 11.8505 11.8549 11.8817 12.0623 12.0792 12.1659 12.1660 12.3057 12.3089 12.8944 12.9121 k = 0.3333 0.5774 0.1627 ( 3036 PWs) bands (ev): -0.0583 -0.0581 0.0012 0.0018 5.1225 5.1229 5.9396 5.9486 6.5014 6.5204 6.9539 6.9558 7.5078 7.5187 7.7634 7.7739 8.8363 8.8376 8.8404 8.8515 9.1334 9.1344 9.2680 9.2693 9.2971 9.2978 9.3799 9.3810 9.4545 9.4585 9.9668 9.9684 10.1048 10.1115 10.1877 10.1900 10.5384 10.5834 10.7027 10.7173 10.7531 10.7675 11.5133 11.5218 11.5405 11.5432 11.5789 11.5884 11.6505 11.6629 11.6964 11.7016 11.7704 11.7863 11.8195 11.8252 11.8418 11.8490 11.8520 11.8827 12.0591 12.0755 12.1486 12.1491 12.3032 12.3061 12.8337 12.8490 k = 0.3333 0.5774 0.1775 ( 3036 PWs) bands (ev): -0.0563 -0.0561 0.0069 0.0074 5.1471 5.1476 5.9207 5.9294 6.5269 6.5467 6.9179 6.9192 7.5133 7.5248 7.7217 7.7322 8.8398 8.8426 8.8674 8.8832 9.1437 9.1449 9.2702 9.2715 9.2930 9.2946 9.3783 9.3789 9.4770 9.4809 9.9708 9.9724 10.1147 10.1218 10.1907 10.1928 10.5269 10.5717 10.7062 10.7149 10.7458 10.7646 11.5169 11.5255 11.5310 11.5452 11.5894 11.5969 11.6465 11.6509 11.6833 11.6877 11.7666 11.7828 11.8227 11.8259 11.8383 11.8481 11.8515 11.8853 12.0554 12.0706 12.1307 12.1318 12.3001 12.3026 12.7750 12.7877 k = 0.3333 0.5774 0.1923 ( 3039 PWs) bands (ev): -0.0540 -0.0537 0.0125 0.0130 5.1737 5.1742 5.9028 5.9113 6.5505 6.5711 6.8831 6.8839 7.5171 7.5291 7.6782 7.6886 8.8440 8.8467 8.8994 8.9156 9.1527 9.1539 9.2729 9.2745 9.2883 9.2911 9.3778 9.3778 9.5002 9.5041 9.9757 9.9774 10.1240 10.1316 10.1923 10.1941 10.5157 10.5601 10.7102 10.7122 10.7393 10.7632 11.5185 11.5185 11.5274 11.5459 11.6006 11.6059 11.6402 11.6449 11.6716 11.6740 11.7631 11.7794 11.8209 11.8247 11.8334 11.8481 11.8553 11.8897 12.0509 12.0645 12.1128 12.1141 12.2963 12.2984 12.7182 12.7282 k = 0.3333 0.5774 0.2071 ( 3039 PWs) bands (ev): -0.0512 -0.0509 0.0181 0.0186 5.2023 5.2029 5.8860 5.8943 6.5709 6.5924 6.8511 6.8513 7.5190 7.5317 7.6331 7.6432 8.8500 8.8526 8.9319 8.9486 9.1603 9.1616 9.2754 9.2783 9.2832 9.2881 9.3775 9.3782 9.5240 9.5278 9.9812 9.9830 10.1327 10.1409 10.1925 10.1939 10.5049 10.5490 10.7097 10.7147 10.7340 10.7634 11.5032 11.5169 11.5267 11.5452 11.6126 11.6151 11.6319 11.6458 11.6609 11.6619 11.7600 11.7762 11.8113 11.8187 11.8345 11.8493 11.8623 11.8955 12.0458 12.0567 12.0955 12.0963 12.2919 12.2936 12.6635 12.6706 k = 0.3333 0.5774 0.2219 ( 3036 PWs) bands (ev): -0.0480 -0.0477 0.0236 0.0240 5.2329 5.2335 5.8704 5.8785 6.5862 6.6081 6.8239 6.8240 7.5192 7.5328 7.5864 7.5961 8.8578 8.8603 8.9648 8.9819 9.1668 9.1682 9.2759 9.2780 9.2829 9.2879 9.3782 9.3793 9.5479 9.5518 9.9873 9.9892 10.1407 10.1495 10.1909 10.1918 10.4947 10.5387 10.7080 10.7201 10.7301 10.7652 11.4857 11.5109 11.5228 11.5431 11.6238 11.6250 11.6264 11.6490 11.6494 11.6550 11.7572 11.7732 11.7987 11.8067 11.8398 11.8517 11.8707 11.9025 12.0398 12.0468 12.0786 12.0796 12.2869 12.2882 12.6109 12.6150 k = 0.3333 0.5774 0.2367 ( 3045 PWs) bands (ev): -0.0445 -0.0442 0.0290 0.0294 5.2654 5.2661 5.8561 5.8639 6.5927 6.6142 6.8050 6.8059 7.5167 7.5322 7.5394 7.5474 8.8672 8.8695 8.9980 9.0153 9.1720 9.1735 9.2729 9.2733 9.2885 9.2917 9.3794 9.3810 9.5722 9.5761 9.9933 9.9955 10.1477 10.1571 10.1873 10.1874 10.4855 10.5292 10.7073 10.7263 10.7279 10.7683 11.4662 11.5000 11.5152 11.5392 11.6239 11.6307 11.6365 11.6388 11.6523 11.6563 11.7548 11.7705 11.7836 11.7917 11.8467 11.8557 11.8802 11.9105 12.0331 12.0343 12.0612 12.0656 12.2814 12.2821 12.5604 12.5614 k = 0.3333 0.5774 0.2515 ( 3039 PWs) bands (ev): -0.0405 -0.0402 0.0342 0.0346 5.2998 5.3006 5.8430 5.8507 6.5875 6.6070 6.7977 6.8009 7.4858 7.4972 7.5178 7.5302 8.8781 8.8804 9.0314 9.0489 9.1763 9.1778 9.2684 9.2700 9.2951 9.2978 9.3812 9.3831 9.5965 9.6005 9.9992 10.0015 10.1537 10.1636 10.1809 10.1817 10.4776 10.5211 10.7082 10.7277 10.7336 10.7729 11.4453 11.4848 11.5043 11.5327 11.6238 11.6312 11.6357 11.6420 11.6584 11.6663 11.7519 11.7676 11.7683 11.7746 11.8549 11.8613 11.8905 11.9194 12.0197 12.0256 12.0443 12.0536 12.2753 12.2754 12.5099 12.5119 k = 0.3333 0.5774 0.2663 ( 3039 PWs) bands (ev): -0.0363 -0.0359 0.0392 0.0395 5.3361 5.3369 5.8314 5.8389 6.5702 6.5869 6.8024 6.8086 7.4353 7.4455 7.5131 7.5269 8.8901 8.8921 9.0646 9.0822 9.1796 9.1812 9.2644 9.2668 9.3028 9.3054 9.3834 9.3856 9.6207 9.6247 10.0043 10.0069 10.1585 10.1689 10.1721 10.1739 10.4714 10.5148 10.7108 10.7294 10.7420 10.7790 11.4230 11.4662 11.4905 11.5231 11.6240 11.6273 11.6393 11.6432 11.6702 11.6783 11.7412 11.7563 11.7583 11.7665 11.8643 11.8688 11.9013 11.9291 12.0040 12.0173 12.0281 12.0427 12.2681 12.2687 12.4606 12.4656 k = 0.3333 0.5774 0.2811 ( 3039 PWs) bands (ev): -0.0318 -0.0314 0.0440 0.0443 5.3742 5.3750 5.8213 5.8286 6.5437 6.5580 6.8162 6.8251 7.3827 7.3925 7.5077 7.5222 8.9030 8.9049 9.0975 9.1150 9.1819 9.1837 9.2612 9.2644 9.3116 9.3142 9.3861 9.3885 9.6446 9.6488 10.0082 10.0109 10.1610 10.1621 10.1639 10.1729 10.4675 10.5106 10.7153 10.7333 10.7518 10.7866 11.3996 11.4452 11.4744 11.5104 11.6225 11.6287 11.6421 11.6443 11.6797 11.6898 11.7224 11.7403 11.7577 11.7654 11.8748 11.8780 11.9126 11.9397 11.9880 12.0083 12.0128 12.0325 12.2601 12.2616 12.4136 12.4214 k = 0.3333 0.5774 0.2959 ( 3051 PWs) bands (ev): -0.0271 -0.0267 0.0485 0.0487 5.4140 5.4149 5.8126 5.8198 6.5115 6.5240 6.8355 6.8466 7.3287 7.3381 7.5013 7.5164 8.9166 8.9183 9.1295 9.1467 9.1834 9.1853 9.2590 9.2630 9.3217 9.3244 9.3894 9.3918 9.6684 9.6727 10.0103 10.0133 10.1477 10.1519 10.1643 10.1754 10.4661 10.5089 10.7216 10.7392 10.7629 10.7957 11.3750 11.4222 11.4563 11.4947 11.6219 11.6313 11.6442 11.6457 11.6772 11.6877 11.7139 11.7352 11.7602 11.7649 11.8859 11.8889 11.9238 11.9509 11.9722 11.9987 11.9991 12.0229 12.2512 12.2540 12.3689 12.3793 k = 0.3333 0.5774 0.3107 ( 3063 PWs) bands (ev): -0.0221 -0.0217 0.0526 0.0528 5.4556 5.4566 5.8055 5.8126 6.4762 6.4873 6.8581 6.8709 7.2736 7.2826 7.4938 7.5094 8.9307 8.9321 9.1600 9.1762 9.1839 9.1861 9.2581 9.2634 9.3329 9.3357 9.3934 9.3956 9.6917 9.6962 10.0102 10.0134 10.1324 10.1379 10.1652 10.1765 10.4680 10.5104 10.7300 10.7473 10.7755 10.8065 11.3496 11.3978 11.4369 11.4770 11.6228 11.6344 11.6461 11.6464 11.6604 11.6647 11.7236 11.7448 11.7652 11.7654 11.8969 11.9016 11.9336 11.9570 11.9629 11.9880 11.9882 12.0143 12.2412 12.2458 12.3269 12.3391 k = 0.3333 0.5774 0.3255 ( 3063 PWs) bands (ev): -0.0169 -0.0165 0.0564 0.0566 5.4988 5.4999 5.8002 5.8071 6.4391 6.4493 6.8826 6.8966 7.2173 7.2260 7.4853 7.5013 8.9452 8.9464 9.1831 9.1838 9.1913 9.2019 9.2595 9.2673 9.3457 9.3485 9.3986 9.4003 9.7148 9.7194 10.0077 10.0109 10.1154 10.1223 10.1648 10.1761 10.4731 10.5151 10.7401 10.7573 10.7895 10.8187 11.3235 11.3720 11.4162 11.4575 11.6246 11.6307 11.6372 11.6374 11.6475 11.6528 11.7343 11.7610 11.7664 11.7743 11.9061 11.9158 11.9383 11.9432 11.9753 11.9775 11.9836 12.0082 12.2294 12.2373 12.2886 12.3011 k = 0.3333 0.5774 0.3403 ( 3063 PWs) bands (ev): -0.0116 -0.0111 0.0599 0.0600 5.5437 5.5449 5.7965 5.8034 6.4011 6.4107 6.9082 6.9232 7.1600 7.1684 7.4758 7.4923 8.9599 8.9608 9.1830 9.1844 9.2129 9.2209 9.2648 9.2764 9.3598 9.3627 9.4055 9.4063 9.7374 9.7421 10.0022 10.0054 10.0968 10.1051 10.1630 10.1742 10.4817 10.5233 10.7519 10.7691 10.8050 10.8325 11.2967 11.3454 11.3947 11.4366 11.6025 11.6079 11.6273 11.6405 11.6488 11.6550 11.7433 11.7685 11.7797 11.7868 11.9090 11.9307 11.9329 11.9344 11.9673 11.9872 11.9894 12.0077 12.2137 12.2283 12.2562 12.2651 k = 0.3333 0.5774 0.3551 ( 3063 PWs) bands (ev): -0.0061 -0.0056 0.0629 0.0630 5.5901 5.5914 5.7946 5.8013 6.3629 6.3719 6.9342 6.9502 7.1018 7.1099 7.4654 7.4823 8.9744 8.9751 9.1816 9.1833 9.2286 9.2323 9.2759 9.2906 9.3753 9.3784 9.4144 9.4153 9.7596 9.7645 9.9937 9.9970 10.0767 10.0864 10.1599 10.1708 10.4938 10.5350 10.7653 10.7827 10.8218 10.8478 11.2692 11.3177 11.3723 11.4145 11.5720 11.5774 11.6306 11.6435 11.6499 11.6582 11.7507 11.7716 11.7994 11.8021 11.9017 11.9246 11.9275 11.9409 11.9627 11.9981 12.0025 12.0160 12.1907 12.2190 12.2313 12.2330 k = 0.3333 0.5774 0.3699 ( 3057 PWs) bands (ev): -0.0005 -0.0000 0.0655 0.0655 5.6381 5.6394 5.7945 5.8011 6.3248 6.3334 6.9602 6.9773 7.0427 7.0510 7.4541 7.4713 8.9888 8.9891 9.1796 9.1815 9.2374 9.2388 9.2911 9.3058 9.3924 9.3956 9.4255 9.4289 9.7814 9.7863 9.9825 9.9856 10.0554 10.0665 10.1555 10.1661 10.5093 10.5501 10.7801 10.7979 10.8399 10.8644 11.2413 11.2893 11.3492 11.3914 11.5403 11.5461 11.6346 11.6466 11.6511 11.6621 11.7576 11.7758 11.8189 11.8194 11.8893 11.9128 11.9210 11.9351 11.9753 12.0111 12.0191 12.0308 12.1627 12.1998 12.2094 12.2172 k = 0.3333 0.5774 0.3847 ( 3048 PWs) bands (ev): 0.0051 0.0056 0.0676 0.0676 5.6875 5.6889 5.7962 5.8027 6.2870 6.2953 6.9799 6.9829 6.9977 7.0044 7.4419 7.4595 9.0028 9.0028 9.1770 9.1790 9.2428 9.2434 9.3057 9.3182 9.4110 9.4144 9.4408 9.4473 9.8025 9.8074 9.9689 9.9717 10.0330 10.0455 10.1499 10.1602 10.5278 10.5684 10.7964 10.8147 10.8591 10.8824 11.2130 11.2601 11.3255 11.3674 11.5080 11.5142 11.6391 11.6500 11.6526 11.6665 11.7641 11.7808 11.8357 11.8391 11.8756 11.9005 11.9115 11.9233 11.9949 12.0278 12.0377 12.0488 12.1347 12.1710 12.1995 12.2045 k = 0.3333 0.5774 0.3995 ( 3054 PWs) bands (ev): 0.0107 0.0112 0.0692 0.0693 5.7382 5.7396 5.8000 5.8062 6.2498 6.2578 6.9225 6.9283 7.0149 7.0313 7.4289 7.4468 9.0160 9.0163 9.1739 9.1760 9.2471 9.2474 9.3168 9.3265 9.4310 9.4345 9.4603 9.4700 9.8226 9.8274 9.9532 9.9556 10.0097 10.0235 10.1430 10.1530 10.5489 10.5895 10.8138 10.8327 10.8792 10.9015 11.1844 11.2303 11.3010 11.3425 11.4753 11.4818 11.6440 11.6537 11.6543 11.6714 11.7706 11.7867 11.8504 11.8549 11.8645 11.8897 11.8997 11.9101 12.0168 12.0468 12.0555 12.0684 12.1106 12.1458 12.1892 12.1930 k = 0.3333 0.5774 0.4143 ( 3054 PWs) bands (ev): 0.0163 0.0168 0.0704 0.0705 5.7903 5.7905 5.8068 5.8117 6.2134 6.2211 6.8616 6.8674 7.0407 7.0579 7.4150 7.4332 9.0287 9.0293 9.1702 9.1725 9.2514 9.2516 9.3240 9.3312 9.4524 9.4560 9.4837 9.4962 9.8412 9.8455 9.9369 9.9384 9.9857 10.0007 10.1351 10.1447 10.5724 10.6131 10.8324 10.8521 10.8998 10.9216 11.1559 11.2001 11.2761 11.3170 11.4425 11.4493 11.6492 11.6567 11.6583 11.6770 11.7770 11.7934 11.8448 11.8568 11.8772 11.8864 11.8871 11.8964 12.0403 12.0618 12.0655 12.0879 12.1020 12.1283 12.1786 12.1823 k = 0.3333 0.5774 0.4291 ( 3048 PWs) bands (ev): 0.0219 0.0224 0.0710 0.0712 5.8116 5.8190 5.8437 5.8466 6.1779 6.1854 6.8002 6.8059 7.0664 7.0841 7.4004 7.4188 9.0408 9.0417 9.1661 9.1685 9.2560 9.2560 9.3278 9.3332 9.4752 9.4787 9.5099 9.5246 9.8562 9.8588 9.9225 9.9230 9.9610 9.9772 10.1260 10.1354 10.5979 10.6389 10.8522 10.8726 10.9204 10.9424 11.1280 11.1697 11.2508 11.2908 11.4098 11.4167 11.6545 11.6597 11.6640 11.6832 11.7831 11.8010 11.8303 11.8502 11.8716 11.8825 11.8949 11.8952 12.0481 12.0651 12.0723 12.1052 12.1165 12.1320 12.1679 12.1740 k = 0.3333 0.5774 0.4439 ( 3054 PWs) bands (ev): 0.0272 0.0277 0.0712 0.0714 5.8214 5.8283 5.8982 5.9008 6.1435 6.1508 6.7385 6.7440 7.0918 7.1099 7.3849 7.4036 9.0522 9.0535 9.1615 9.1640 9.2608 9.2609 9.3290 9.3330 9.4991 9.5025 9.5377 9.5541 9.8597 9.8605 9.9146 9.9193 9.9356 9.9532 10.1160 10.1251 10.6251 10.6665 10.8728 10.8942 10.9396 10.9633 11.1020 11.1395 11.2250 11.2641 11.3774 11.3842 11.6599 11.6635 11.6709 11.6901 11.7877 11.8093 11.8156 11.8403 11.8572 11.8685 11.9064 11.9086 12.0318 12.0622 12.0907 12.1276 12.1310 12.1548 12.1574 12.1745 k = 0.3333 0.5774 0.4587 ( 3054 PWs) bands (ev): 0.0325 0.0330 0.0708 0.0711 5.8327 5.8396 5.9537 5.9565 6.1102 6.1174 6.6767 6.6818 7.1168 7.1352 7.3687 7.3876 9.0631 9.0647 9.1565 9.1590 9.2660 9.2661 9.3283 9.3314 9.5242 9.5274 9.5668 9.5843 9.8456 9.8485 9.9098 9.9179 9.9288 9.9320 10.1050 10.1138 10.6536 10.6956 10.8943 10.9169 10.9546 10.9832 11.0807 11.1109 11.1991 11.2370 11.3453 11.3520 11.6657 11.6683 11.6789 11.6975 11.7885 11.8010 11.8180 11.8331 11.8425 11.8547 11.9148 11.9189 12.0196 12.0502 12.1158 12.1304 12.1485 12.1541 12.1838 12.1937 k = 0.3333 0.5774 0.4735 ( 3045 PWs) bands (ev): 0.0376 0.0380 0.0700 0.0703 5.8460 5.8528 6.0102 6.0133 6.0785 6.0853 6.6147 6.6196 7.1414 7.1601 7.3517 7.3707 9.0735 9.0753 9.1510 9.1537 9.2715 9.2718 9.3261 9.3285 9.5503 9.5534 9.5964 9.6149 9.8239 9.8274 9.8835 9.9002 9.9389 9.9443 10.0932 10.1017 10.6833 10.7260 10.9167 10.9404 10.9596 10.9983 11.0700 11.0876 11.1730 11.2098 11.3137 11.3201 11.6720 11.6742 11.6880 11.7054 11.7831 11.7867 11.8262 11.8279 11.8322 11.8423 11.9178 11.9243 12.0141 12.0423 12.1214 12.1263 12.1553 12.1827 12.2161 12.2239 k = 0.3333 0.5774 0.4882 ( 3033 PWs) bands (ev): 0.0424 0.0429 0.0687 0.0690 5.8611 5.8679 6.0462 6.0545 6.0694 6.0711 6.5527 6.5574 7.1655 7.1843 7.3339 7.3531 9.0833 9.0853 9.1452 9.1479 9.2773 9.2776 9.3229 9.3248 9.5772 9.5802 9.6261 9.6453 9.7991 9.8028 9.8567 9.8746 9.9550 9.9614 10.0804 10.0888 10.7140 10.7575 10.9398 10.9497 10.9647 10.9990 11.0748 11.0795 11.1468 11.1823 11.2826 11.2886 11.6791 11.6812 11.6979 11.7135 11.7727 11.7730 11.8137 11.8236 11.8369 11.8418 11.9146 11.9239 12.0160 12.0403 12.1099 12.1179 12.1820 12.2129 12.2507 12.2589 k = 0.3333 0.5774 0.5030 ( 3048 PWs) bands (ev): 0.0469 0.0474 0.0668 0.0672 5.8781 5.8849 6.0180 6.0253 6.1269 6.1297 6.4908 6.4952 7.1888 7.2079 7.3153 7.3345 9.0925 9.0947 9.1389 9.1415 9.2831 9.2836 9.3187 9.3203 9.6046 9.6075 9.6556 9.6755 9.7727 9.7766 9.8294 9.8478 9.9720 9.9788 10.0669 10.0750 10.7451 10.7896 10.9281 10.9629 10.9808 10.9894 11.0908 11.0913 11.1208 11.1547 11.2519 11.2574 11.6869 11.6893 11.7083 11.7208 11.7598 11.7602 11.8003 11.8117 11.8445 11.8514 11.9068 11.9182 12.0233 12.0437 12.0976 12.1067 12.2124 12.2445 12.2866 12.2969 k = 0.3333 0.5774 0.5178 ( 3045 PWs) bands (ev): 0.0512 0.0517 0.0646 0.0649 5.8970 5.9039 5.9905 5.9976 6.1859 6.1890 6.4292 6.4333 7.2116 7.2308 7.2960 7.3153 9.1013 9.1037 9.1322 9.1349 9.2890 9.2895 9.3141 9.3153 9.6326 9.6352 9.6844 9.7053 9.7453 9.7499 9.8019 9.8205 9.9890 9.9961 10.0526 10.0605 10.7767 10.8222 10.9009 10.9515 10.9883 11.0142 11.0955 11.1119 11.1142 11.1276 11.2220 11.2268 11.6956 11.6987 11.7191 11.7254 11.7464 11.7500 11.7888 11.7998 11.8537 11.8626 11.8966 11.9091 12.0337 12.0511 12.0847 12.0950 12.2445 12.2775 12.3208 12.3376 k = 0.3333 0.5774 0.5326 ( 3039 PWs) bands (ev): 0.0551 0.0556 0.0618 0.0622 5.9178 5.9246 5.9646 5.9716 6.2456 6.2489 6.3681 6.3719 7.2338 7.2530 7.2760 7.2953 9.1098 9.1122 9.1252 9.1278 9.2945 9.2951 9.3095 9.3104 9.6609 9.6631 9.7077 9.7175 9.7281 9.7346 9.7744 9.7927 10.0057 10.0130 10.0376 10.0453 10.8084 10.8551 10.8711 10.9205 11.0122 11.0361 11.0740 11.1007 11.1375 11.1401 11.1929 11.1970 11.7050 11.7093 11.7229 11.7296 11.7333 11.7443 11.7818 11.7894 11.8639 11.8743 11.8856 11.8980 12.0458 12.0608 12.0717 12.0833 12.2773 12.3117 12.3338 12.3807 k = 0.3333 0.5774 0.5474 ( 3036 PWs) bands (ev): 0.0587 0.0587 0.0591 0.0591 5.9403 5.9403 5.9472 5.9472 6.3002 6.3002 6.3165 6.3165 7.2553 7.2553 7.2746 7.2746 9.1177 9.1177 9.1203 9.1203 9.2979 9.2979 9.3071 9.3071 9.6892 9.6892 9.6905 9.6905 9.7453 9.7453 9.7650 9.7650 10.0220 10.0220 10.0295 10.0295 10.8400 10.8400 10.8880 10.8880 11.0342 11.0342 11.0770 11.0770 11.1645 11.1645 11.1679 11.1679 11.7147 11.7147 11.7208 11.7208 11.7386 11.7386 11.7823 11.7823 11.8746 11.8746 11.8863 11.8863 12.0586 12.0586 12.0717 12.0717 12.3094 12.3094 12.3484 12.3484 Writing output data file Fe3C.save init_run : 0.81s CPU 0.46s WALL ( 1 calls) electrons : 365.49s CPU 278.26s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.11s CPU 0.07s WALL ( 1 calls) Called by electrons: c_bands : 365.47s CPU 278.24s 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 0.00s WALL ( 1 calls) newd : 0.30s CPU 0.16s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.33s CPU 0.51s WALL ( 330 calls) cegterg : 302.24s CPU 241.70s WALL ( 432 calls) Called by sum_band: Called by *egterg: h_psi : 193.87s CPU 134.65s WALL ( 7140 calls) s_psi : 21.15s CPU 14.43s WALL ( 7140 calls) g_psi : 0.32s CPU 0.25s WALL ( 6378 calls) cdiaghg : 112.20s CPU 98.63s WALL ( 6708 calls) cegterg:over : 11.83s CPU 9.63s WALL ( 6378 calls) cegterg:upda : 8.50s CPU 7.14s WALL ( 6378 calls) cegterg:last : 3.87s CPU 3.56s WALL ( 1207 calls) cdiaghg:chol : 6.57s CPU 5.71s WALL ( 6708 calls) cdiaghg:inve : 4.63s CPU 4.09s WALL ( 6708 calls) cdiaghg:para : 7.50s CPU 6.92s WALL ( 13416 calls) Called by h_psi: h_psi:vloc : 150.94s CPU 104.08s WALL ( 7140 calls) h_psi:vnl : 42.58s CPU 30.30s WALL ( 7140 calls) add_vuspsi : 26.32s CPU 17.95s WALL ( 7140 calls) General routines calbec : 16.21s CPU 12.32s WALL ( 7140 calls) fft : 0.05s CPU 0.02s WALL ( 19 calls) ffts : 0.02s CPU 0.01s WALL ( 4 calls) fftw : 143.12s CPU 98.08s WALL ( 1154672 calls) interpolate : 0.02s CPU 0.01s WALL ( 4 calls) davcio : 0.40s CPU 0.85s WALL ( 660 calls) Parallel routines fft_scatter : 57.34s CPU 43.24s WALL ( 1154695 calls) PWSCF : 6m24.07s CPU 5m14.11s WALL This run was terminated on: 15:47:49 10Feb2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=