Program PWSCF v.5.1.1 starts on 4Nov2015 at 0:29:41 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 48 processors R & G space division: proc/nbgrp/npool/nimage = 48 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: ./Zr6FeSb2.save/ file Fe.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized file Sb.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 74 61 17 1700 1269 197 Max 75 62 18 1703 1288 200 Sum 3571 2941 847 81653 61339 9575 bravais-lattice index = 14 lattice parameter (alat) = 14.6567 a.u. unit-cell volume = 1286.0162 (a.u.)^3 number of atoms/cell = 9 number of atomic types = 3 number of electrons = 42.00 number of Kohn-Sham states= 50 kinetic-energy cutoff = 50.0000 Ry charge density cutoff = 242.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 14.656715 celldm(2)= 1.000000 celldm(3)= 0.471635 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 0.471635 ) 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 2.120284 ) PseudoPot. # 1 for Zr read from file: /home/autes/Pseudo/Zr.rel-pbe-n-nc.UPF MD5 check sum: 453101d5cee66cf3691e2371f73c5d7d Pseudo is Norm-conserving + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1225 points, 4 beta functions with: l(1) = 1 l(2) = 1 l(3) = 2 l(4) = 2 PseudoPot. # 2 for Fe read from file: /home/autes/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. # 3 for Sb read from file: /home/autes/Pseudo/Sb.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 6eab79124e5b154cf38452ae12125a85 Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1243 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Zr 4.00 91.22400 Zr( 1.00) Fe 8.00 55.84500 Fe( 1.00) Sb 5.00 121.76000 Sb( 1.00) 12 Sym. Ops. (no inversion) found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [1,0,0] cryst. s( 2) = ( 1 0 0 ) ( -1 -1 0 ) ( 0 0 -1 ) cart. s( 2) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 3 120 deg rotation - cryst. axis [0,0,1] cryst. s( 3) = ( 0 1 0 ) ( -1 -1 0 ) ( 0 0 1 ) cart. s( 3) = ( -0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 4 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 4) = ( -1 -1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s( 4) = ( -0.5000000 0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 5 180 deg rotation - cryst. axis [0,1,0] cryst. s( 5) = ( -1 -1 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s( 5) = ( -0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 6 180 deg rotation - cryst. axis [1,1,0] cryst. s( 6) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s( 6) = ( -0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 7 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 7) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s( 7) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 8 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s( 8) = ( 1 0 0 ) ( -1 -1 0 ) ( 0 0 1 ) cart. s( 8) = ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 9 inv. 60 deg rotation - cryst. axis [0,0,1] cryst. s( 9) = ( -1 -1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s( 9) = ( -0.5000000 0.8660254 -0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 10 inv. 60 deg rotation - cryst. axis [0,0,-1] cryst. s(10) = ( 0 1 0 ) ( -1 -1 0 ) ( 0 0 -1 ) cart. s(10) = ( -0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 11 inv. 180 deg rotation - cryst. axis [1,-1,0] cryst. s(11) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s(11) = ( -0.5000000 0.8660254 0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 12 inv. 180 deg rotation - cryst. axis [2,1,0] cryst. s(12) = ( -1 -1 0 ) ( 0 1 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_3h (-62m) there are 9 classes and 3 irreducible representations the character table: E -E 2C3 -2C3 3C2' s_h 2S3 -2S3 3s_v -3C2' -s_h' -3s_v G_7 2.00 -2.00 1.00 -1.00 0.00 0.00 1.73 -1.73 0.00 G_8 2.00 -2.00 1.00 -1.00 0.00 0.00 -1.73 1.73 0.00 G_9 2.00 -2.00 -2.00 2.00 0.00 0.00 0.00 0.00 0.00 the symmetry operations in each class: E 1 3C2'-3C2' 2 5 -6 -2 6 -5 2C3 3 4 3s_v-3s_v 7 -7 3s_v-3s_v 8 -8 -12 -11 11 12 2S3 9 10 -E -1 -2C3 -3 -4 -2S3 -9 -10 Cartesian axes number of k points= 270 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0037037 k( 2) = ( 0.0208333 0.0120281 -0.0000000), wk = 0.0037037 k( 3) = ( 0.0416667 0.0240563 -0.0000000), wk = 0.0037037 k( 4) = ( 0.0625000 0.0360844 -0.0000000), wk = 0.0037037 k( 5) = ( 0.0833333 0.0481125 -0.0000000), wk = 0.0037037 k( 6) = ( 0.1041667 0.0601407 -0.0000000), wk = 0.0037037 k( 7) = ( 0.1250000 0.0721688 -0.0000000), wk = 0.0037037 k( 8) = ( 0.1458333 0.0841969 -0.0000000), wk = 0.0037037 k( 9) = ( 0.1666667 0.0962250 -0.0000000), wk = 0.0037037 k( 10) = ( 0.1875000 0.1082532 -0.0000000), wk = 0.0037037 k( 11) = ( 0.2083333 0.1202813 -0.0000000), wk = 0.0037037 k( 12) = ( 0.2291667 0.1323094 -0.0000000), wk = 0.0037037 k( 13) = ( 0.2500000 0.1443376 -0.0000000), wk = 0.0037037 k( 14) = ( 0.2708333 0.1563657 -0.0000000), wk = 0.0037037 k( 15) = ( 0.2916667 0.1683938 -0.0000000), wk = 0.0037037 k( 16) = ( 0.3125000 0.1804220 -0.0000000), wk = 0.0037037 k( 17) = ( 0.3333333 0.1924501 -0.0000000), wk = 0.0037037 k( 18) = ( 0.3541667 0.2044782 -0.0000000), wk = 0.0037037 k( 19) = ( 0.3750000 0.2165064 -0.0000000), wk = 0.0037037 k( 20) = ( 0.3958333 0.2285345 -0.0000000), wk = 0.0037037 k( 21) = ( 0.4166667 0.2405626 -0.0000000), wk = 0.0037037 k( 22) = ( 0.4375000 0.2525907 -0.0000000), wk = 0.0037037 k( 23) = ( 0.4583333 0.2646189 -0.0000000), wk = 0.0037037 k( 24) = ( 0.4791667 0.2766470 -0.0000000), wk = 0.0037037 k( 25) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0037037 k( 26) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0037037 k( 27) = ( 0.4880952 0.3092948 -0.0000000), wk = 0.0037037 k( 28) = ( 0.4761905 0.3299144 -0.0000000), wk = 0.0037037 k( 29) = ( 0.4642857 0.3505341 -0.0000000), wk = 0.0037037 k( 30) = ( 0.4523810 0.3711537 -0.0000000), wk = 0.0037037 k( 31) = ( 0.4404762 0.3917734 -0.0000000), wk = 0.0037037 k( 32) = ( 0.4285714 0.4123930 -0.0000000), wk = 0.0037037 k( 33) = ( 0.4166667 0.4330127 -0.0000000), wk = 0.0037037 k( 34) = ( 0.4047619 0.4536324 -0.0000000), wk = 0.0037037 k( 35) = ( 0.3928571 0.4742520 -0.0000000), wk = 0.0037037 k( 36) = ( 0.3809524 0.4948717 -0.0000000), wk = 0.0037037 k( 37) = ( 0.3690476 0.5154913 -0.0000000), wk = 0.0037037 k( 38) = ( 0.3571429 0.5361110 -0.0000000), wk = 0.0037037 k( 39) = ( 0.3452381 0.5567306 -0.0000000), wk = 0.0037037 k( 40) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0037037 k( 41) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0037037 k( 42) = ( 0.3214286 0.5567306 -0.0000000), wk = 0.0037037 k( 43) = ( 0.3095238 0.5361110 -0.0000000), wk = 0.0037037 k( 44) = ( 0.2976190 0.5154913 -0.0000000), wk = 0.0037037 k( 45) = ( 0.2857143 0.4948717 -0.0000000), wk = 0.0037037 k( 46) = ( 0.2738095 0.4742520 -0.0000000), wk = 0.0037037 k( 47) = ( 0.2619048 0.4536324 -0.0000000), wk = 0.0037037 k( 48) = ( 0.2500000 0.4330127 -0.0000000), wk = 0.0037037 k( 49) = ( 0.2380952 0.4123931 -0.0000000), wk = 0.0037037 k( 50) = ( 0.2261905 0.3917734 -0.0000000), wk = 0.0037037 k( 51) = ( 0.2142857 0.3711537 -0.0000000), wk = 0.0037037 k( 52) = ( 0.2023810 0.3505341 -0.0000000), wk = 0.0037037 k( 53) = ( 0.1904762 0.3299144 -0.0000000), wk = 0.0037037 k( 54) = ( 0.1785714 0.3092948 -0.0000000), wk = 0.0037037 k( 55) = ( 0.1666667 0.2886751 -0.0000000), wk = 0.0037037 k( 56) = ( 0.1547619 0.2680555 -0.0000000), wk = 0.0037037 k( 57) = ( 0.1428571 0.2474358 -0.0000000), wk = 0.0037037 k( 58) = ( 0.1309524 0.2268162 -0.0000000), wk = 0.0037037 k( 59) = ( 0.1190476 0.2061965 -0.0000000), wk = 0.0037037 k( 60) = ( 0.1071429 0.1855769 -0.0000000), wk = 0.0037037 k( 61) = ( 0.0952381 0.1649572 -0.0000000), wk = 0.0037037 k( 62) = ( 0.0833333 0.1443376 -0.0000000), wk = 0.0037037 k( 63) = ( 0.0714286 0.1237179 -0.0000000), wk = 0.0037037 k( 64) = ( 0.0595238 0.1030983 -0.0000000), wk = 0.0037037 k( 65) = ( 0.0476191 0.0824786 -0.0000000), wk = 0.0037037 k( 66) = ( 0.0357143 0.0618590 -0.0000000), wk = 0.0037037 k( 67) = ( 0.0238095 0.0412393 -0.0000000), wk = 0.0037037 k( 68) = ( 0.0119048 0.0206196 -0.0000000), wk = 0.0037037 k( 69) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0037037 k( 70) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0037037 k( 71) = ( 0.0000000 0.0000000 0.0246545), wk = 0.0037037 k( 72) = ( 0.0000000 0.0000000 0.0493089), wk = 0.0037037 k( 73) = ( 0.0000000 0.0000000 0.0739634), wk = 0.0037037 k( 74) = ( 0.0000000 0.0000000 0.0986179), wk = 0.0037037 k( 75) = ( 0.0000000 0.0000000 0.1232723), wk = 0.0037037 k( 76) = ( 0.0000000 0.0000000 0.1479268), wk = 0.0037037 k( 77) = ( 0.0000000 0.0000000 0.1725813), wk = 0.0037037 k( 78) = ( 0.0000000 0.0000000 0.1972358), wk = 0.0037037 k( 79) = ( 0.0000000 0.0000000 0.2218902), wk = 0.0037037 k( 80) = ( 0.0000000 0.0000000 0.2465447), wk = 0.0037037 k( 81) = ( 0.0000000 0.0000000 0.2711992), wk = 0.0037037 k( 82) = ( 0.0000000 0.0000000 0.2958536), wk = 0.0037037 k( 83) = ( 0.0000000 0.0000000 0.3205081), wk = 0.0037037 k( 84) = ( 0.0000000 0.0000000 0.3451626), wk = 0.0037037 k( 85) = ( 0.0000000 0.0000000 0.3698170), wk = 0.0037037 k( 86) = ( 0.0000000 0.0000000 0.3944715), wk = 0.0037037 k( 87) = ( 0.0000000 0.0000000 0.4191260), wk = 0.0037037 k( 88) = ( 0.0000000 0.0000000 0.4437804), wk = 0.0037037 k( 89) = ( 0.0000000 0.0000000 0.4684349), wk = 0.0037037 k( 90) = ( 0.0000000 0.0000000 0.4930894), wk = 0.0037037 k( 91) = ( 0.0000000 0.0000000 0.5177439), wk = 0.0037037 k( 92) = ( 0.0000000 0.0000000 0.5423983), wk = 0.0037037 k( 93) = ( 0.0000000 0.0000000 0.5670528), wk = 0.0037037 k( 94) = ( 0.0000000 0.0000000 0.5917073), wk = 0.0037037 k( 95) = ( 0.0000000 0.0000000 0.6163617), wk = 0.0037037 k( 96) = ( 0.0000000 0.0000000 0.6410162), wk = 0.0037037 k( 97) = ( 0.0000000 0.0000000 0.6656707), wk = 0.0037037 k( 98) = ( 0.0000000 0.0000000 0.6903251), wk = 0.0037037 k( 99) = ( 0.0000000 0.0000000 0.7149796), wk = 0.0037037 k( 100) = ( 0.0000000 0.0000000 0.7396341), wk = 0.0037037 k( 101) = ( 0.0000000 0.0000000 0.7642885), wk = 0.0037037 k( 102) = ( 0.0000000 0.0000000 0.7889430), wk = 0.0037037 k( 103) = ( 0.0000000 0.0000000 0.8135975), wk = 0.0037037 k( 104) = ( 0.0000000 0.0000000 0.8382519), wk = 0.0037037 k( 105) = ( 0.0000000 0.0000000 0.8629064), wk = 0.0037037 k( 106) = ( 0.0000000 0.0000000 0.8875609), wk = 0.0037037 k( 107) = ( 0.0000000 0.0000000 0.9122153), wk = 0.0037037 k( 108) = ( 0.0000000 0.0000000 0.9368698), wk = 0.0037037 k( 109) = ( 0.0000000 0.0000000 0.9615243), wk = 0.0037037 k( 110) = ( 0.0000000 0.0000000 0.9861788), wk = 0.0037037 k( 111) = ( 0.0000000 0.0000000 1.0108332), wk = 0.0037037 k( 112) = ( 0.0000000 0.0000000 1.0354877), wk = 0.0037037 k( 113) = ( 0.0000000 0.0000000 1.0601422), wk = 0.0037037 k( 114) = ( 0.0000000 0.0000000 1.0601422), wk = 0.0037037 k( 115) = ( 0.0208333 0.0120281 1.0601422), wk = 0.0037037 k( 116) = ( 0.0416667 0.0240563 1.0601422), wk = 0.0037037 k( 117) = ( 0.0625000 0.0360844 1.0601422), wk = 0.0037037 k( 118) = ( 0.0833333 0.0481125 1.0601422), wk = 0.0037037 k( 119) = ( 0.1041667 0.0601407 1.0601422), wk = 0.0037037 k( 120) = ( 0.1250000 0.0721688 1.0601422), wk = 0.0037037 k( 121) = ( 0.1458333 0.0841969 1.0601422), wk = 0.0037037 k( 122) = ( 0.1666667 0.0962250 1.0601422), wk = 0.0037037 k( 123) = ( 0.1875000 0.1082532 1.0601422), wk = 0.0037037 k( 124) = ( 0.2083333 0.1202813 1.0601422), wk = 0.0037037 k( 125) = ( 0.2291667 0.1323094 1.0601422), wk = 0.0037037 k( 126) = ( 0.2500000 0.1443376 1.0601422), wk = 0.0037037 k( 127) = ( 0.2708333 0.1563657 1.0601422), wk = 0.0037037 k( 128) = ( 0.2916667 0.1683938 1.0601422), wk = 0.0037037 k( 129) = ( 0.3125000 0.1804220 1.0601422), wk = 0.0037037 k( 130) = ( 0.3333333 0.1924501 1.0601422), wk = 0.0037037 k( 131) = ( 0.3541667 0.2044782 1.0601422), wk = 0.0037037 k( 132) = ( 0.3750000 0.2165064 1.0601422), wk = 0.0037037 k( 133) = ( 0.3958333 0.2285345 1.0601422), wk = 0.0037037 k( 134) = ( 0.4166667 0.2405626 1.0601422), wk = 0.0037037 k( 135) = ( 0.4375000 0.2525907 1.0601422), wk = 0.0037037 k( 136) = ( 0.4583333 0.2646189 1.0601422), wk = 0.0037037 k( 137) = ( 0.4791667 0.2766470 1.0601422), wk = 0.0037037 k( 138) = ( 0.5000000 0.2886751 1.0601422), wk = 0.0037037 k( 139) = ( 0.5000000 0.2886751 1.0601422), wk = 0.0037037 k( 140) = ( 0.4880952 0.3092948 1.0601422), wk = 0.0037037 k( 141) = ( 0.4761905 0.3299144 1.0601422), wk = 0.0037037 k( 142) = ( 0.4642857 0.3505341 1.0601422), wk = 0.0037037 k( 143) = ( 0.4523810 0.3711537 1.0601422), wk = 0.0037037 k( 144) = ( 0.4404762 0.3917734 1.0601422), wk = 0.0037037 k( 145) = ( 0.4285714 0.4123930 1.0601422), wk = 0.0037037 k( 146) = ( 0.4166667 0.4330127 1.0601422), wk = 0.0037037 k( 147) = ( 0.4047619 0.4536324 1.0601422), wk = 0.0037037 k( 148) = ( 0.3928571 0.4742520 1.0601422), wk = 0.0037037 k( 149) = ( 0.3809524 0.4948717 1.0601422), wk = 0.0037037 k( 150) = ( 0.3690476 0.5154913 1.0601422), wk = 0.0037037 k( 151) = ( 0.3571429 0.5361110 1.0601422), wk = 0.0037037 k( 152) = ( 0.3452381 0.5567306 1.0601422), wk = 0.0037037 k( 153) = ( 0.3333333 0.5773503 1.0601422), wk = 0.0037037 k( 154) = ( 0.3333333 0.5773503 1.0601422), wk = 0.0037037 k( 155) = ( 0.3214286 0.5567306 1.0601422), wk = 0.0037037 k( 156) = ( 0.3095238 0.5361110 1.0601422), wk = 0.0037037 k( 157) = ( 0.2976190 0.5154913 1.0601422), wk = 0.0037037 k( 158) = ( 0.2857143 0.4948717 1.0601422), wk = 0.0037037 k( 159) = ( 0.2738095 0.4742520 1.0601422), wk = 0.0037037 k( 160) = ( 0.2619048 0.4536324 1.0601422), wk = 0.0037037 k( 161) = ( 0.2500000 0.4330127 1.0601422), wk = 0.0037037 k( 162) = ( 0.2380952 0.4123931 1.0601422), wk = 0.0037037 k( 163) = ( 0.2261905 0.3917734 1.0601422), wk = 0.0037037 k( 164) = ( 0.2142857 0.3711537 1.0601422), wk = 0.0037037 k( 165) = ( 0.2023810 0.3505341 1.0601422), wk = 0.0037037 k( 166) = ( 0.1904762 0.3299144 1.0601422), wk = 0.0037037 k( 167) = ( 0.1785714 0.3092948 1.0601422), wk = 0.0037037 k( 168) = ( 0.1666667 0.2886751 1.0601422), wk = 0.0037037 k( 169) = ( 0.1547619 0.2680555 1.0601422), wk = 0.0037037 k( 170) = ( 0.1428571 0.2474358 1.0601422), wk = 0.0037037 k( 171) = ( 0.1309524 0.2268162 1.0601422), wk = 0.0037037 k( 172) = ( 0.1190476 0.2061965 1.0601422), wk = 0.0037037 k( 173) = ( 0.1071429 0.1855769 1.0601422), wk = 0.0037037 k( 174) = ( 0.0952381 0.1649572 1.0601422), wk = 0.0037037 k( 175) = ( 0.0833333 0.1443376 1.0601422), wk = 0.0037037 k( 176) = ( 0.0714286 0.1237179 1.0601422), wk = 0.0037037 k( 177) = ( 0.0595238 0.1030983 1.0601422), wk = 0.0037037 k( 178) = ( 0.0476191 0.0824786 1.0601422), wk = 0.0037037 k( 179) = ( 0.0357143 0.0618590 1.0601422), wk = 0.0037037 k( 180) = ( 0.0238095 0.0412393 1.0601422), wk = 0.0037037 k( 181) = ( 0.0119048 0.0206196 1.0601422), wk = 0.0037037 k( 182) = ( 0.0000000 0.0000000 1.0601422), wk = 0.0037037 k( 183) = ( 0.5000000 0.2886751 1.0601422), wk = 0.0037037 k( 184) = ( 0.5000000 0.2886751 1.0354877), wk = 0.0037037 k( 185) = ( 0.5000000 0.2886751 1.0108332), wk = 0.0037037 k( 186) = ( 0.5000000 0.2886751 0.9861788), wk = 0.0037037 k( 187) = ( 0.5000000 0.2886751 0.9615243), wk = 0.0037037 k( 188) = ( 0.5000000 0.2886751 0.9368698), wk = 0.0037037 k( 189) = ( 0.5000000 0.2886751 0.9122153), wk = 0.0037037 k( 190) = ( 0.5000000 0.2886751 0.8875609), wk = 0.0037037 k( 191) = ( 0.5000000 0.2886751 0.8629064), wk = 0.0037037 k( 192) = ( 0.5000000 0.2886751 0.8382519), wk = 0.0037037 k( 193) = ( 0.5000000 0.2886751 0.8135975), wk = 0.0037037 k( 194) = ( 0.5000000 0.2886751 0.7889430), wk = 0.0037037 k( 195) = ( 0.5000000 0.2886751 0.7642885), wk = 0.0037037 k( 196) = ( 0.5000000 0.2886751 0.7396341), wk = 0.0037037 k( 197) = ( 0.5000000 0.2886751 0.7149796), wk = 0.0037037 k( 198) = ( 0.5000000 0.2886751 0.6903251), wk = 0.0037037 k( 199) = ( 0.5000000 0.2886751 0.6656707), wk = 0.0037037 k( 200) = ( 0.5000000 0.2886751 0.6410162), wk = 0.0037037 k( 201) = ( 0.5000000 0.2886751 0.6163617), wk = 0.0037037 k( 202) = ( 0.5000000 0.2886751 0.5917073), wk = 0.0037037 k( 203) = ( 0.5000000 0.2886751 0.5670528), wk = 0.0037037 k( 204) = ( 0.5000000 0.2886751 0.5423983), wk = 0.0037037 k( 205) = ( 0.5000000 0.2886751 0.5177439), wk = 0.0037037 k( 206) = ( 0.5000000 0.2886751 0.4930894), wk = 0.0037037 k( 207) = ( 0.5000000 0.2886751 0.4684349), wk = 0.0037037 k( 208) = ( 0.5000000 0.2886751 0.4437804), wk = 0.0037037 k( 209) = ( 0.5000000 0.2886751 0.4191260), wk = 0.0037037 k( 210) = ( 0.5000000 0.2886751 0.3944715), wk = 0.0037037 k( 211) = ( 0.5000000 0.2886751 0.3698170), wk = 0.0037037 k( 212) = ( 0.5000000 0.2886751 0.3451626), wk = 0.0037037 k( 213) = ( 0.5000000 0.2886751 0.3205081), wk = 0.0037037 k( 214) = ( 0.5000000 0.2886751 0.2958536), wk = 0.0037037 k( 215) = ( 0.5000000 0.2886751 0.2711992), wk = 0.0037037 k( 216) = ( 0.5000000 0.2886751 0.2465447), wk = 0.0037037 k( 217) = ( 0.5000000 0.2886751 0.2218902), wk = 0.0037037 k( 218) = ( 0.5000000 0.2886751 0.1972358), wk = 0.0037037 k( 219) = ( 0.5000000 0.2886751 0.1725813), wk = 0.0037037 k( 220) = ( 0.5000000 0.2886751 0.1479268), wk = 0.0037037 k( 221) = ( 0.5000000 0.2886751 0.1232723), wk = 0.0037037 k( 222) = ( 0.5000000 0.2886751 0.0986179), wk = 0.0037037 k( 223) = ( 0.5000000 0.2886751 0.0739634), wk = 0.0037037 k( 224) = ( 0.5000000 0.2886751 0.0493089), wk = 0.0037037 k( 225) = ( 0.5000000 0.2886751 0.0246545), wk = 0.0037037 k( 226) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0037037 k( 227) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0037037 k( 228) = ( 0.3333333 0.5773503 0.0246545), wk = 0.0037037 k( 229) = ( 0.3333333 0.5773503 0.0493089), wk = 0.0037037 k( 230) = ( 0.3333333 0.5773503 0.0739634), wk = 0.0037037 k( 231) = ( 0.3333333 0.5773503 0.0986179), wk = 0.0037037 k( 232) = ( 0.3333333 0.5773503 0.1232723), wk = 0.0037037 k( 233) = ( 0.3333333 0.5773503 0.1479268), wk = 0.0037037 k( 234) = ( 0.3333333 0.5773503 0.1725813), wk = 0.0037037 k( 235) = ( 0.3333333 0.5773503 0.1972358), wk = 0.0037037 k( 236) = ( 0.3333333 0.5773503 0.2218902), wk = 0.0037037 k( 237) = ( 0.3333333 0.5773503 0.2465447), wk = 0.0037037 k( 238) = ( 0.3333333 0.5773503 0.2711992), wk = 0.0037037 k( 239) = ( 0.3333333 0.5773503 0.2958536), wk = 0.0037037 k( 240) = ( 0.3333333 0.5773503 0.3205081), wk = 0.0037037 k( 241) = ( 0.3333333 0.5773503 0.3451626), wk = 0.0037037 k( 242) = ( 0.3333333 0.5773503 0.3698170), wk = 0.0037037 k( 243) = ( 0.3333333 0.5773503 0.3944715), wk = 0.0037037 k( 244) = ( 0.3333333 0.5773503 0.4191260), wk = 0.0037037 k( 245) = ( 0.3333333 0.5773503 0.4437804), wk = 0.0037037 k( 246) = ( 0.3333333 0.5773503 0.4684349), wk = 0.0037037 k( 247) = ( 0.3333333 0.5773503 0.4930894), wk = 0.0037037 k( 248) = ( 0.3333333 0.5773503 0.5177439), wk = 0.0037037 k( 249) = ( 0.3333333 0.5773503 0.5423983), wk = 0.0037037 k( 250) = ( 0.3333333 0.5773503 0.5670528), wk = 0.0037037 k( 251) = ( 0.3333333 0.5773503 0.5917073), wk = 0.0037037 k( 252) = ( 0.3333333 0.5773503 0.6163617), wk = 0.0037037 k( 253) = ( 0.3333333 0.5773503 0.6410162), wk = 0.0037037 k( 254) = ( 0.3333333 0.5773503 0.6656707), wk = 0.0037037 k( 255) = ( 0.3333333 0.5773503 0.6903251), wk = 0.0037037 k( 256) = ( 0.3333333 0.5773503 0.7149796), wk = 0.0037037 k( 257) = ( 0.3333333 0.5773503 0.7396341), wk = 0.0037037 k( 258) = ( 0.3333333 0.5773503 0.7642885), wk = 0.0037037 k( 259) = ( 0.3333333 0.5773503 0.7889430), wk = 0.0037037 k( 260) = ( 0.3333333 0.5773503 0.8135975), wk = 0.0037037 k( 261) = ( 0.3333333 0.5773503 0.8382519), wk = 0.0037037 k( 262) = ( 0.3333333 0.5773503 0.8629064), wk = 0.0037037 k( 263) = ( 0.3333333 0.5773503 0.8875609), wk = 0.0037037 k( 264) = ( 0.3333333 0.5773503 0.9122153), wk = 0.0037037 k( 265) = ( 0.3333333 0.5773503 0.9368698), wk = 0.0037037 k( 266) = ( 0.3333333 0.5773503 0.9615243), wk = 0.0037037 k( 267) = ( 0.3333333 0.5773503 0.9861788), wk = 0.0037037 k( 268) = ( 0.3333333 0.5773503 1.0108332), wk = 0.0037037 k( 269) = ( 0.3333333 0.5773503 1.0354877), wk = 0.0037037 k( 270) = ( 0.3333333 0.5773503 1.0601422), wk = 0.0037037 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0037037 k( 2) = ( 0.0208333 -0.0000000 0.0000000), wk = 0.0037037 k( 3) = ( 0.0416667 -0.0000000 0.0000000), wk = 0.0037037 k( 4) = ( 0.0625000 -0.0000000 0.0000000), wk = 0.0037037 k( 5) = ( 0.0833333 -0.0000000 -0.0000000), wk = 0.0037037 k( 6) = ( 0.1041667 0.0000000 -0.0000000), wk = 0.0037037 k( 7) = ( 0.1250000 -0.0000000 0.0000000), wk = 0.0037037 k( 8) = ( 0.1458333 -0.0000000 -0.0000000), wk = 0.0037037 k( 9) = ( 0.1666667 -0.0000000 0.0000000), wk = 0.0037037 k( 10) = ( 0.1875000 -0.0000000 0.0000000), wk = 0.0037037 k( 11) = ( 0.2083333 -0.0000000 0.0000000), wk = 0.0037037 k( 12) = ( 0.2291667 0.0000000 0.0000000), wk = 0.0037037 k( 13) = ( 0.2500000 -0.0000000 0.0000000), wk = 0.0037037 k( 14) = ( 0.2708333 0.0000000 0.0000000), wk = 0.0037037 k( 15) = ( 0.2916667 0.0000000 0.0000000), wk = 0.0037037 k( 16) = ( 0.3125000 -0.0000000 0.0000000), wk = 0.0037037 k( 17) = ( 0.3333333 0.0000000 0.0000000), wk = 0.0037037 k( 18) = ( 0.3541667 -0.0000000 0.0000000), wk = 0.0037037 k( 19) = ( 0.3750000 -0.0000000 0.0000000), wk = 0.0037037 k( 20) = ( 0.3958333 -0.0000000 0.0000000), wk = 0.0037037 k( 21) = ( 0.4166667 0.0000000 -0.0000000), wk = 0.0037037 k( 22) = ( 0.4375000 0.0000000 0.0000000), wk = 0.0037037 k( 23) = ( 0.4583333 0.0000000 0.0000000), wk = 0.0037037 k( 24) = ( 0.4791667 -0.0000000 0.0000000), wk = 0.0037037 k( 25) = ( 0.5000000 -0.0000000 0.0000000), wk = 0.0037037 k( 26) = ( 0.5000000 -0.0000000 0.0000000), wk = 0.0037037 k( 27) = ( 0.4880952 0.0238095 0.0000000), wk = 0.0037037 k( 28) = ( 0.4761905 0.0476190 0.0000000), wk = 0.0037037 k( 29) = ( 0.4642857 0.0714286 0.0000000), wk = 0.0037037 k( 30) = ( 0.4523810 0.0952381 0.0000000), wk = 0.0037037 k( 31) = ( 0.4404762 0.1190476 -0.0000000), wk = 0.0037037 k( 32) = ( 0.4285714 0.1428571 0.0000000), wk = 0.0037037 k( 33) = ( 0.4166667 0.1666667 0.0000000), wk = 0.0037037 k( 34) = ( 0.4047619 0.1904762 -0.0000000), wk = 0.0037037 k( 35) = ( 0.3928571 0.2142857 0.0000000), wk = 0.0037037 k( 36) = ( 0.3809524 0.2380952 0.0000000), wk = 0.0037037 k( 37) = ( 0.3690476 0.2619048 0.0000000), wk = 0.0037037 k( 38) = ( 0.3571429 0.2857143 -0.0000000), wk = 0.0037037 k( 39) = ( 0.3452381 0.3095238 0.0000000), wk = 0.0037037 k( 40) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0037037 k( 41) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0037037 k( 42) = ( 0.3214286 0.3214286 -0.0000000), wk = 0.0037037 k( 43) = ( 0.3095238 0.3095238 0.0000000), wk = 0.0037037 k( 44) = ( 0.2976190 0.2976190 0.0000000), wk = 0.0037037 k( 45) = ( 0.2857143 0.2857143 0.0000000), wk = 0.0037037 k( 46) = ( 0.2738095 0.2738095 0.0000000), wk = 0.0037037 k( 47) = ( 0.2619048 0.2619048 0.0000000), wk = 0.0037037 k( 48) = ( 0.2500000 0.2500000 0.0000000), wk = 0.0037037 k( 49) = ( 0.2380952 0.2380952 0.0000000), wk = 0.0037037 k( 50) = ( 0.2261905 0.2261905 0.0000000), wk = 0.0037037 k( 51) = ( 0.2142857 0.2142857 0.0000000), wk = 0.0037037 k( 52) = ( 0.2023810 0.2023809 -0.0000000), wk = 0.0037037 k( 53) = ( 0.1904762 0.1904762 0.0000000), wk = 0.0037037 k( 54) = ( 0.1785714 0.1785714 0.0000000), wk = 0.0037037 k( 55) = ( 0.1666667 0.1666667 0.0000000), wk = 0.0037037 k( 56) = ( 0.1547619 0.1547619 0.0000000), wk = 0.0037037 k( 57) = ( 0.1428571 0.1428571 0.0000000), wk = 0.0037037 k( 58) = ( 0.1309524 0.1309524 0.0000000), wk = 0.0037037 k( 59) = ( 0.1190476 0.1190476 0.0000000), wk = 0.0037037 k( 60) = ( 0.1071429 0.1071429 -0.0000000), wk = 0.0037037 k( 61) = ( 0.0952381 0.0952381 -0.0000000), wk = 0.0037037 k( 62) = ( 0.0833333 0.0833333 0.0000000), wk = 0.0037037 k( 63) = ( 0.0714286 0.0714286 0.0000000), wk = 0.0037037 k( 64) = ( 0.0595238 0.0595238 0.0000000), wk = 0.0037037 k( 65) = ( 0.0476191 0.0476190 -0.0000000), wk = 0.0037037 k( 66) = ( 0.0357143 0.0357143 0.0000000), wk = 0.0037037 k( 67) = ( 0.0238095 0.0238095 0.0000000), wk = 0.0037037 k( 68) = ( 0.0119048 0.0119048 0.0000000), wk = 0.0037037 k( 69) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0037037 k( 70) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0037037 k( 71) = ( 0.0000000 0.0000000 0.0116279), wk = 0.0037037 k( 72) = ( 0.0000000 0.0000000 0.0232558), wk = 0.0037037 k( 73) = ( 0.0000000 0.0000000 0.0348837), wk = 0.0037037 k( 74) = ( 0.0000000 0.0000000 0.0465116), wk = 0.0037037 k( 75) = ( 0.0000000 0.0000000 0.0581395), wk = 0.0037037 k( 76) = ( 0.0000000 0.0000000 0.0697674), wk = 0.0037037 k( 77) = ( 0.0000000 0.0000000 0.0813954), wk = 0.0037037 k( 78) = ( 0.0000000 0.0000000 0.0930233), wk = 0.0037037 k( 79) = ( 0.0000000 0.0000000 0.1046512), wk = 0.0037037 k( 80) = ( 0.0000000 0.0000000 0.1162791), wk = 0.0037037 k( 81) = ( 0.0000000 0.0000000 0.1279070), wk = 0.0037037 k( 82) = ( 0.0000000 0.0000000 0.1395349), wk = 0.0037037 k( 83) = ( 0.0000000 0.0000000 0.1511628), wk = 0.0037037 k( 84) = ( 0.0000000 0.0000000 0.1627907), wk = 0.0037037 k( 85) = ( 0.0000000 0.0000000 0.1744186), wk = 0.0037037 k( 86) = ( 0.0000000 0.0000000 0.1860465), wk = 0.0037037 k( 87) = ( 0.0000000 0.0000000 0.1976744), wk = 0.0037037 k( 88) = ( 0.0000000 0.0000000 0.2093023), wk = 0.0037037 k( 89) = ( 0.0000000 0.0000000 0.2209302), wk = 0.0037037 k( 90) = ( 0.0000000 0.0000000 0.2325581), wk = 0.0037037 k( 91) = ( 0.0000000 0.0000000 0.2441860), wk = 0.0037037 k( 92) = ( 0.0000000 0.0000000 0.2558140), wk = 0.0037037 k( 93) = ( 0.0000000 0.0000000 0.2674419), wk = 0.0037037 k( 94) = ( 0.0000000 0.0000000 0.2790698), wk = 0.0037037 k( 95) = ( 0.0000000 0.0000000 0.2906977), wk = 0.0037037 k( 96) = ( 0.0000000 0.0000000 0.3023256), wk = 0.0037037 k( 97) = ( 0.0000000 0.0000000 0.3139535), wk = 0.0037037 k( 98) = ( 0.0000000 0.0000000 0.3255814), wk = 0.0037037 k( 99) = ( 0.0000000 0.0000000 0.3372093), wk = 0.0037037 k( 100) = ( 0.0000000 0.0000000 0.3488372), wk = 0.0037037 k( 101) = ( 0.0000000 0.0000000 0.3604651), wk = 0.0037037 k( 102) = ( 0.0000000 0.0000000 0.3720930), wk = 0.0037037 k( 103) = ( 0.0000000 0.0000000 0.3837209), wk = 0.0037037 k( 104) = ( 0.0000000 0.0000000 0.3953488), wk = 0.0037037 k( 105) = ( 0.0000000 0.0000000 0.4069767), wk = 0.0037037 k( 106) = ( 0.0000000 0.0000000 0.4186047), wk = 0.0037037 k( 107) = ( 0.0000000 0.0000000 0.4302326), wk = 0.0037037 k( 108) = ( 0.0000000 0.0000000 0.4418605), wk = 0.0037037 k( 109) = ( 0.0000000 0.0000000 0.4534884), wk = 0.0037037 k( 110) = ( 0.0000000 0.0000000 0.4651163), wk = 0.0037037 k( 111) = ( 0.0000000 0.0000000 0.4767442), wk = 0.0037037 k( 112) = ( 0.0000000 0.0000000 0.4883721), wk = 0.0037037 k( 113) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0037037 k( 114) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0037037 k( 115) = ( 0.0208333 -0.0000000 0.5000000), wk = 0.0037037 k( 116) = ( 0.0416667 -0.0000000 0.5000000), wk = 0.0037037 k( 117) = ( 0.0625000 -0.0000000 0.5000000), wk = 0.0037037 k( 118) = ( 0.0833333 -0.0000000 0.5000000), wk = 0.0037037 k( 119) = ( 0.1041667 0.0000000 0.5000000), wk = 0.0037037 k( 120) = ( 0.1250000 -0.0000000 0.5000000), wk = 0.0037037 k( 121) = ( 0.1458333 -0.0000000 0.5000000), wk = 0.0037037 k( 122) = ( 0.1666667 -0.0000000 0.5000000), wk = 0.0037037 k( 123) = ( 0.1875000 -0.0000000 0.5000000), wk = 0.0037037 k( 124) = ( 0.2083333 -0.0000000 0.5000000), wk = 0.0037037 k( 125) = ( 0.2291667 0.0000000 0.5000000), wk = 0.0037037 k( 126) = ( 0.2500000 -0.0000000 0.5000000), wk = 0.0037037 k( 127) = ( 0.2708333 0.0000000 0.5000000), wk = 0.0037037 k( 128) = ( 0.2916667 0.0000000 0.5000000), wk = 0.0037037 k( 129) = ( 0.3125000 -0.0000000 0.5000000), wk = 0.0037037 k( 130) = ( 0.3333333 0.0000000 0.5000000), wk = 0.0037037 k( 131) = ( 0.3541667 -0.0000000 0.5000000), wk = 0.0037037 k( 132) = ( 0.3750000 -0.0000000 0.5000000), wk = 0.0037037 k( 133) = ( 0.3958333 -0.0000000 0.5000000), wk = 0.0037037 k( 134) = ( 0.4166667 0.0000000 0.5000000), wk = 0.0037037 k( 135) = ( 0.4375000 0.0000000 0.5000000), wk = 0.0037037 k( 136) = ( 0.4583333 0.0000000 0.5000000), wk = 0.0037037 k( 137) = ( 0.4791667 -0.0000000 0.5000000), wk = 0.0037037 k( 138) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0037037 k( 139) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0037037 k( 140) = ( 0.4880952 0.0238095 0.5000000), wk = 0.0037037 k( 141) = ( 0.4761905 0.0476190 0.5000000), wk = 0.0037037 k( 142) = ( 0.4642857 0.0714286 0.5000000), wk = 0.0037037 k( 143) = ( 0.4523810 0.0952381 0.5000000), wk = 0.0037037 k( 144) = ( 0.4404762 0.1190476 0.5000000), wk = 0.0037037 k( 145) = ( 0.4285714 0.1428571 0.5000000), wk = 0.0037037 k( 146) = ( 0.4166667 0.1666667 0.5000000), wk = 0.0037037 k( 147) = ( 0.4047619 0.1904762 0.5000000), wk = 0.0037037 k( 148) = ( 0.3928571 0.2142857 0.5000000), wk = 0.0037037 k( 149) = ( 0.3809524 0.2380952 0.5000000), wk = 0.0037037 k( 150) = ( 0.3690476 0.2619048 0.5000000), wk = 0.0037037 k( 151) = ( 0.3571429 0.2857143 0.5000000), wk = 0.0037037 k( 152) = ( 0.3452381 0.3095238 0.5000000), wk = 0.0037037 k( 153) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0037037 k( 154) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0037037 k( 155) = ( 0.3214286 0.3214286 0.5000000), wk = 0.0037037 k( 156) = ( 0.3095238 0.3095238 0.5000000), wk = 0.0037037 k( 157) = ( 0.2976190 0.2976190 0.5000000), wk = 0.0037037 k( 158) = ( 0.2857143 0.2857143 0.5000000), wk = 0.0037037 k( 159) = ( 0.2738095 0.2738095 0.5000000), wk = 0.0037037 k( 160) = ( 0.2619048 0.2619048 0.5000000), wk = 0.0037037 k( 161) = ( 0.2500000 0.2500000 0.5000000), wk = 0.0037037 k( 162) = ( 0.2380952 0.2380952 0.5000000), wk = 0.0037037 k( 163) = ( 0.2261905 0.2261905 0.5000000), wk = 0.0037037 k( 164) = ( 0.2142857 0.2142857 0.5000000), wk = 0.0037037 k( 165) = ( 0.2023810 0.2023809 0.5000000), wk = 0.0037037 k( 166) = ( 0.1904762 0.1904762 0.5000000), wk = 0.0037037 k( 167) = ( 0.1785714 0.1785714 0.5000000), wk = 0.0037037 k( 168) = ( 0.1666667 0.1666667 0.5000000), wk = 0.0037037 k( 169) = ( 0.1547619 0.1547619 0.5000000), wk = 0.0037037 k( 170) = ( 0.1428571 0.1428571 0.5000000), wk = 0.0037037 k( 171) = ( 0.1309524 0.1309524 0.5000000), wk = 0.0037037 k( 172) = ( 0.1190476 0.1190476 0.5000000), wk = 0.0037037 k( 173) = ( 0.1071429 0.1071429 0.5000000), wk = 0.0037037 k( 174) = ( 0.0952381 0.0952381 0.5000000), wk = 0.0037037 k( 175) = ( 0.0833333 0.0833333 0.5000000), wk = 0.0037037 k( 176) = ( 0.0714286 0.0714286 0.5000000), wk = 0.0037037 k( 177) = ( 0.0595238 0.0595238 0.5000000), wk = 0.0037037 k( 178) = ( 0.0476191 0.0476190 0.5000000), wk = 0.0037037 k( 179) = ( 0.0357143 0.0357143 0.5000000), wk = 0.0037037 k( 180) = ( 0.0238095 0.0238095 0.5000000), wk = 0.0037037 k( 181) = ( 0.0119048 0.0119048 0.5000000), wk = 0.0037037 k( 182) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0037037 k( 183) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0037037 k( 184) = ( 0.5000000 -0.0000000 0.4883721), wk = 0.0037037 k( 185) = ( 0.5000000 -0.0000000 0.4767442), wk = 0.0037037 k( 186) = ( 0.5000000 -0.0000000 0.4651163), wk = 0.0037037 k( 187) = ( 0.5000000 -0.0000000 0.4534884), wk = 0.0037037 k( 188) = ( 0.5000000 -0.0000000 0.4418605), wk = 0.0037037 k( 189) = ( 0.5000000 -0.0000000 0.4302326), wk = 0.0037037 k( 190) = ( 0.5000000 -0.0000000 0.4186047), wk = 0.0037037 k( 191) = ( 0.5000000 -0.0000000 0.4069767), wk = 0.0037037 k( 192) = ( 0.5000000 -0.0000000 0.3953488), wk = 0.0037037 k( 193) = ( 0.5000000 -0.0000000 0.3837209), wk = 0.0037037 k( 194) = ( 0.5000000 -0.0000000 0.3720930), wk = 0.0037037 k( 195) = ( 0.5000000 -0.0000000 0.3604651), wk = 0.0037037 k( 196) = ( 0.5000000 -0.0000000 0.3488372), wk = 0.0037037 k( 197) = ( 0.5000000 -0.0000000 0.3372093), wk = 0.0037037 k( 198) = ( 0.5000000 -0.0000000 0.3255814), wk = 0.0037037 k( 199) = ( 0.5000000 -0.0000000 0.3139535), wk = 0.0037037 k( 200) = ( 0.5000000 -0.0000000 0.3023256), wk = 0.0037037 k( 201) = ( 0.5000000 -0.0000000 0.2906977), wk = 0.0037037 k( 202) = ( 0.5000000 -0.0000000 0.2790698), wk = 0.0037037 k( 203) = ( 0.5000000 -0.0000000 0.2674419), wk = 0.0037037 k( 204) = ( 0.5000000 -0.0000000 0.2558140), wk = 0.0037037 k( 205) = ( 0.5000000 -0.0000000 0.2441860), wk = 0.0037037 k( 206) = ( 0.5000000 -0.0000000 0.2325581), wk = 0.0037037 k( 207) = ( 0.5000000 -0.0000000 0.2209302), wk = 0.0037037 k( 208) = ( 0.5000000 -0.0000000 0.2093023), wk = 0.0037037 k( 209) = ( 0.5000000 -0.0000000 0.1976744), wk = 0.0037037 k( 210) = ( 0.5000000 -0.0000000 0.1860465), wk = 0.0037037 k( 211) = ( 0.5000000 -0.0000000 0.1744186), wk = 0.0037037 k( 212) = ( 0.5000000 -0.0000000 0.1627907), wk = 0.0037037 k( 213) = ( 0.5000000 -0.0000000 0.1511628), wk = 0.0037037 k( 214) = ( 0.5000000 -0.0000000 0.1395349), wk = 0.0037037 k( 215) = ( 0.5000000 -0.0000000 0.1279070), wk = 0.0037037 k( 216) = ( 0.5000000 -0.0000000 0.1162791), wk = 0.0037037 k( 217) = ( 0.5000000 -0.0000000 0.1046512), wk = 0.0037037 k( 218) = ( 0.5000000 -0.0000000 0.0930233), wk = 0.0037037 k( 219) = ( 0.5000000 -0.0000000 0.0813953), wk = 0.0037037 k( 220) = ( 0.5000000 -0.0000000 0.0697674), wk = 0.0037037 k( 221) = ( 0.5000000 -0.0000000 0.0581395), wk = 0.0037037 k( 222) = ( 0.5000000 -0.0000000 0.0465116), wk = 0.0037037 k( 223) = ( 0.5000000 -0.0000000 0.0348837), wk = 0.0037037 k( 224) = ( 0.5000000 -0.0000000 0.0232558), wk = 0.0037037 k( 225) = ( 0.5000000 -0.0000000 0.0116279), wk = 0.0037037 k( 226) = ( 0.5000000 -0.0000000 0.0000000), wk = 0.0037037 k( 227) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0037037 k( 228) = ( 0.3333333 0.3333333 0.0116279), wk = 0.0037037 k( 229) = ( 0.3333333 0.3333333 0.0232558), wk = 0.0037037 k( 230) = ( 0.3333333 0.3333333 0.0348837), wk = 0.0037037 k( 231) = ( 0.3333333 0.3333333 0.0465116), wk = 0.0037037 k( 232) = ( 0.3333333 0.3333333 0.0581395), wk = 0.0037037 k( 233) = ( 0.3333333 0.3333333 0.0697674), wk = 0.0037037 k( 234) = ( 0.3333333 0.3333333 0.0813954), wk = 0.0037037 k( 235) = ( 0.3333333 0.3333333 0.0930233), wk = 0.0037037 k( 236) = ( 0.3333333 0.3333333 0.1046512), wk = 0.0037037 k( 237) = ( 0.3333333 0.3333333 0.1162791), wk = 0.0037037 k( 238) = ( 0.3333333 0.3333333 0.1279070), wk = 0.0037037 k( 239) = ( 0.3333333 0.3333333 0.1395349), wk = 0.0037037 k( 240) = ( 0.3333333 0.3333333 0.1511628), wk = 0.0037037 k( 241) = ( 0.3333333 0.3333333 0.1627907), wk = 0.0037037 k( 242) = ( 0.3333333 0.3333333 0.1744186), wk = 0.0037037 k( 243) = ( 0.3333333 0.3333333 0.1860465), wk = 0.0037037 k( 244) = ( 0.3333333 0.3333333 0.1976744), wk = 0.0037037 k( 245) = ( 0.3333333 0.3333333 0.2093023), wk = 0.0037037 k( 246) = ( 0.3333333 0.3333333 0.2209302), wk = 0.0037037 k( 247) = ( 0.3333333 0.3333333 0.2325581), wk = 0.0037037 k( 248) = ( 0.3333333 0.3333333 0.2441860), wk = 0.0037037 k( 249) = ( 0.3333333 0.3333333 0.2558140), wk = 0.0037037 k( 250) = ( 0.3333333 0.3333333 0.2674419), wk = 0.0037037 k( 251) = ( 0.3333333 0.3333333 0.2790698), wk = 0.0037037 k( 252) = ( 0.3333333 0.3333333 0.2906977), wk = 0.0037037 k( 253) = ( 0.3333333 0.3333333 0.3023256), wk = 0.0037037 k( 254) = ( 0.3333333 0.3333333 0.3139535), wk = 0.0037037 k( 255) = ( 0.3333333 0.3333333 0.3255814), wk = 0.0037037 k( 256) = ( 0.3333333 0.3333333 0.3372093), wk = 0.0037037 k( 257) = ( 0.3333333 0.3333333 0.3488372), wk = 0.0037037 k( 258) = ( 0.3333333 0.3333333 0.3604651), wk = 0.0037037 k( 259) = ( 0.3333333 0.3333333 0.3720930), wk = 0.0037037 k( 260) = ( 0.3333333 0.3333333 0.3837209), wk = 0.0037037 k( 261) = ( 0.3333333 0.3333333 0.3953488), wk = 0.0037037 k( 262) = ( 0.3333333 0.3333333 0.4069767), wk = 0.0037037 k( 263) = ( 0.3333333 0.3333333 0.4186047), wk = 0.0037037 k( 264) = ( 0.3333333 0.3333333 0.4302326), wk = 0.0037037 k( 265) = ( 0.3333333 0.3333333 0.4418605), wk = 0.0037037 k( 266) = ( 0.3333333 0.3333333 0.4534884), wk = 0.0037037 k( 267) = ( 0.3333333 0.3333333 0.4651163), wk = 0.0037037 k( 268) = ( 0.3333333 0.3333333 0.4767442), wk = 0.0037037 k( 269) = ( 0.3333333 0.3333333 0.4883721), wk = 0.0037037 k( 270) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0037037 Dense grid: 81653 G-vectors FFT dimensions: ( 75, 75, 36) Smooth grid: 61339 G-vectors FFT dimensions: ( 72, 72, 32) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.25 Mb ( 324, 50) NL pseudopotentials 0.49 Mb ( 162, 198) Each V/rho on FFT grid 0.09 Mb ( 5625) Each G-vector array 0.01 Mb ( 1703) G-vector shells 0.01 Mb ( 794) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.99 Mb ( 324, 200) Each subspace H/S matrix 0.61 Mb ( 200, 200) Each matrix 0.30 Mb ( 198, 2, 50) The potential is recalculated from file : ./Zr6FeSb2.save/charge-density.dat Starting wfc are 142 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 49.4 secs Computing kpt #: 2 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 57.4 secs Computing kpt #: 3 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 65.5 secs Computing kpt #: 4 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 73.7 secs Computing kpt #: 5 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 81.6 secs Computing kpt #: 6 c_bands: 5 eigenvalues not converged total cpu time spent up to now is 89.7 secs Computing kpt #: 7 c_bands: 3 eigenvalues not converged total cpu time spent up to now is 97.8 secs Computing kpt #: 8 c_bands: 3 eigenvalues not converged total cpu time spent up to now is 106.1 secs Computing kpt #: 9 c_bands: 3 eigenvalues not converged total cpu time spent up to now is 114.1 secs Computing kpt #: 10 c_bands: 5 eigenvalues not converged total cpu time spent up to now is 122.1 secs Computing kpt #: 11 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 130.3 secs Computing kpt #: 12 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 138.2 secs Computing kpt #: 13 c_bands: 3 eigenvalues not converged total cpu time spent up to now is 146.1 secs Computing kpt #: 14 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 153.9 secs Computing kpt #: 15 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 161.8 secs Computing kpt #: 16 c_bands: 3 eigenvalues not converged total cpu time spent up to now is 169.8 secs Computing kpt #: 17 c_bands: 3 eigenvalues not converged total cpu time spent up to now is 177.6 secs Computing kpt #: 18 c_bands: 3 eigenvalues not converged total cpu time spent up to now is 185.6 secs Computing kpt #: 19 c_bands: 3 eigenvalues not converged total cpu time spent up to now is 193.5 secs Computing kpt #: 20 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 201.4 secs Computing kpt #: 21 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 209.3 secs Computing kpt #: 22 c_bands: 3 eigenvalues not converged total cpu time spent up to now is 217.0 secs Computing kpt #: 23 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 224.8 secs Computing kpt #: 24 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 232.4 secs Computing kpt #: 25 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 239.8 secs Computing kpt #: 26 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 247.2 secs Computing kpt #: 27 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 254.7 secs Computing kpt #: 28 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 262.8 secs Computing kpt #: 29 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 271.0 secs Computing kpt #: 30 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 278.7 secs Computing kpt #: 31 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 286.6 secs Computing kpt #: 32 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 294.4 secs Computing kpt #: 33 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 302.3 secs Computing kpt #: 34 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 310.0 secs Computing kpt #: 35 total cpu time spent up to now is 319.2 secs Computing kpt #: 36 total cpu time spent up to now is 326.9 secs Computing kpt #: 37 total cpu time spent up to now is 333.7 secs Computing kpt #: 38 total cpu time spent up to now is 340.3 secs Computing kpt #: 39 total cpu time spent up to now is 346.8 secs Computing kpt #: 40 total cpu time spent up to now is 353.0 secs Computing kpt #: 41 total cpu time spent up to now is 359.3 secs Computing kpt #: 42 total cpu time spent up to now is 365.7 secs Computing kpt #: 43 total cpu time spent up to now is 372.6 secs Computing kpt #: 44 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 380.0 secs Computing kpt #: 45 total cpu time spent up to now is 386.8 secs Computing kpt #: 46 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 394.3 secs Computing kpt #: 47 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 401.8 secs Computing kpt #: 48 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 409.8 secs Computing kpt #: 49 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 417.3 secs Computing kpt #: 50 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 424.7 secs Computing kpt #: 51 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 432.3 secs Computing kpt #: 52 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 439.7 secs Computing kpt #: 53 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 447.0 secs Computing kpt #: 54 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 454.5 secs Computing kpt #: 55 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 462.1 secs Computing kpt #: 56 c_bands: 3 eigenvalues not converged total cpu time spent up to now is 470.0 secs Computing kpt #: 57 c_bands: 6 eigenvalues not converged total cpu time spent up to now is 477.8 secs Computing kpt #: 58 c_bands: 5 eigenvalues not converged total cpu time spent up to now is 485.7 secs Computing kpt #: 59 c_bands: 6 eigenvalues not converged total cpu time spent up to now is 493.5 secs Computing kpt #: 60 c_bands: 6 eigenvalues not converged total cpu time spent up to now is 501.5 secs Computing kpt #: 61 c_bands: 5 eigenvalues not converged total cpu time spent up to now is 509.4 secs Computing kpt #: 62 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 517.5 secs Computing kpt #: 63 c_bands: 3 eigenvalues not converged total cpu time spent up to now is 526.1 secs Computing kpt #: 64 c_bands: 3 eigenvalues not converged total cpu time spent up to now is 534.3 secs Computing kpt #: 65 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 542.1 secs Computing kpt #: 66 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 550.1 secs Computing kpt #: 67 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 557.9 secs Computing kpt #: 68 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 565.6 secs Computing kpt #: 69 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 573.5 secs Computing kpt #: 70 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 581.2 secs Computing kpt #: 71 c_bands: 3 eigenvalues not converged total cpu time spent up to now is 589.3 secs Computing kpt #: 72 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 597.2 secs Computing kpt #: 73 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 604.9 secs Computing kpt #: 74 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 612.6 secs Computing kpt #: 75 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 622.6 secs Computing kpt #: 76 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 630.0 secs Computing kpt #: 77 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 637.4 secs Computing kpt #: 78 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 644.8 secs Computing kpt #: 79 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 652.2 secs Computing kpt #: 80 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 659.5 secs Computing kpt #: 81 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 666.7 secs Computing kpt #: 82 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 674.0 secs Computing kpt #: 83 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 681.1 secs Computing kpt #: 84 total cpu time spent up to now is 687.4 secs Computing kpt #: 85 total cpu time spent up to now is 693.4 secs Computing kpt #: 86 total cpu time spent up to now is 698.9 secs Computing kpt #: 87 total cpu time spent up to now is 704.3 secs Computing kpt #: 88 total cpu time spent up to now is 709.6 secs Computing kpt #: 89 total cpu time spent up to now is 714.7 secs Computing kpt #: 90 total cpu time spent up to now is 719.6 secs Computing kpt #: 91 total cpu time spent up to now is 724.3 secs Computing kpt #: 92 total cpu time spent up to now is 729.4 secs Computing kpt #: 93 total cpu time spent up to now is 734.3 secs Computing kpt #: 94 total cpu time spent up to now is 739.3 secs Computing kpt #: 95 total cpu time spent up to now is 744.2 secs Computing kpt #: 96 total cpu time spent up to now is 749.1 secs Computing kpt #: 97 total cpu time spent up to now is 754.1 secs Computing kpt #: 98 total cpu time spent up to now is 759.7 secs Computing kpt #: 99 total cpu time spent up to now is 764.7 secs Computing kpt #: 100 total cpu time spent up to now is 769.7 secs Computing kpt #: 101 total cpu time spent up to now is 774.9 secs Computing kpt #: 102 total cpu time spent up to now is 780.0 secs Computing kpt #: 103 total cpu time spent up to now is 785.1 secs Computing kpt #: 104 total cpu time spent up to now is 790.4 secs Computing kpt #: 105 total cpu time spent up to now is 795.5 secs Computing kpt #: 106 total cpu time spent up to now is 800.8 secs Computing kpt #: 107 total cpu time spent up to now is 806.5 secs Computing kpt #: 108 total cpu time spent up to now is 812.3 secs Computing kpt #: 109 total cpu time spent up to now is 818.6 secs Computing kpt #: 110 total cpu time spent up to now is 825.3 secs Computing kpt #: 111 total cpu time spent up to now is 831.8 secs Computing kpt #: 112 total cpu time spent up to now is 839.2 secs Computing kpt #: 113 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 846.8 secs Computing kpt #: 114 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 854.5 secs Computing kpt #: 115 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 862.6 secs Computing kpt #: 116 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 870.5 secs Computing kpt #: 117 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 878.0 secs Computing kpt #: 118 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 885.8 secs Computing kpt #: 119 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 893.4 secs Computing kpt #: 120 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 900.9 secs Computing kpt #: 121 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 908.0 secs Computing kpt #: 122 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 915.4 secs Computing kpt #: 123 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 924.9 secs Computing kpt #: 124 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 932.2 secs Computing kpt #: 125 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 939.5 secs Computing kpt #: 126 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 946.7 secs Computing kpt #: 127 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 954.0 secs Computing kpt #: 128 total cpu time spent up to now is 961.0 secs Computing kpt #: 129 total cpu time spent up to now is 968.1 secs Computing kpt #: 130 total cpu time spent up to now is 974.7 secs Computing kpt #: 131 total cpu time spent up to now is 981.1 secs Computing kpt #: 132 total cpu time spent up to now is 987.5 secs Computing kpt #: 133 total cpu time spent up to now is 993.6 secs Computing kpt #: 134 total cpu time spent up to now is 999.4 secs Computing kpt #: 135 total cpu time spent up to now is 1005.5 secs Computing kpt #: 136 total cpu time spent up to now is 1011.3 secs Computing kpt #: 137 total cpu time spent up to now is 1016.8 secs Computing kpt #: 138 total cpu time spent up to now is 1022.4 secs Computing kpt #: 139 total cpu time spent up to now is 1027.8 secs Computing kpt #: 140 total cpu time spent up to now is 1033.4 secs Computing kpt #: 141 total cpu time spent up to now is 1039.1 secs Computing kpt #: 142 total cpu time spent up to now is 1044.9 secs Computing kpt #: 143 total cpu time spent up to now is 1051.4 secs Computing kpt #: 144 total cpu time spent up to now is 1057.4 secs Computing kpt #: 145 total cpu time spent up to now is 1063.5 secs Computing kpt #: 146 total cpu time spent up to now is 1070.0 secs Computing kpt #: 147 total cpu time spent up to now is 1076.2 secs Computing kpt #: 148 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1083.0 secs Computing kpt #: 149 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1089.8 secs Computing kpt #: 150 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1096.7 secs Computing kpt #: 151 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1103.4 secs Computing kpt #: 152 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1110.2 secs Computing kpt #: 153 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1117.2 secs Computing kpt #: 154 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1124.0 secs Computing kpt #: 155 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1131.4 secs Computing kpt #: 156 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1138.7 secs Computing kpt #: 157 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1145.9 secs Computing kpt #: 158 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1152.7 secs Computing kpt #: 159 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1159.5 secs Computing kpt #: 160 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1166.3 secs Computing kpt #: 161 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1173.2 secs Computing kpt #: 162 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1180.1 secs Computing kpt #: 163 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1186.9 secs Computing kpt #: 164 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1193.9 secs Computing kpt #: 165 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1200.9 secs Computing kpt #: 166 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1207.8 secs Computing kpt #: 167 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1215.0 secs Computing kpt #: 168 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1222.7 secs Computing kpt #: 169 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1229.6 secs Computing kpt #: 170 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1236.8 secs Computing kpt #: 171 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1243.8 secs Computing kpt #: 172 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1251.0 secs Computing kpt #: 173 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1258.1 secs Computing kpt #: 174 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1265.2 secs Computing kpt #: 175 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1272.5 secs Computing kpt #: 176 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1280.2 secs Computing kpt #: 177 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1287.4 secs Computing kpt #: 178 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1295.0 secs Computing kpt #: 179 total cpu time spent up to now is 1301.9 secs Computing kpt #: 180 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1309.6 secs Computing kpt #: 181 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1317.8 secs Computing kpt #: 182 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1325.5 secs Computing kpt #: 183 total cpu time spent up to now is 1331.4 secs Computing kpt #: 184 total cpu time spent up to now is 1337.0 secs Computing kpt #: 185 total cpu time spent up to now is 1342.5 secs Computing kpt #: 186 total cpu time spent up to now is 1347.9 secs Computing kpt #: 187 total cpu time spent up to now is 1353.2 secs Computing kpt #: 188 total cpu time spent up to now is 1358.6 secs Computing kpt #: 189 total cpu time spent up to now is 1363.9 secs Computing kpt #: 190 total cpu time spent up to now is 1369.3 secs Computing kpt #: 191 total cpu time spent up to now is 1374.6 secs Computing kpt #: 192 total cpu time spent up to now is 1380.1 secs Computing kpt #: 193 total cpu time spent up to now is 1385.4 secs Computing kpt #: 194 total cpu time spent up to now is 1390.8 secs Computing kpt #: 195 total cpu time spent up to now is 1396.1 secs Computing kpt #: 196 total cpu time spent up to now is 1401.4 secs Computing kpt #: 197 total cpu time spent up to now is 1406.8 secs Computing kpt #: 198 total cpu time spent up to now is 1412.3 secs Computing kpt #: 199 total cpu time spent up to now is 1417.4 secs Computing kpt #: 200 total cpu time spent up to now is 1422.7 secs Computing kpt #: 201 total cpu time spent up to now is 1428.2 secs Computing kpt #: 202 total cpu time spent up to now is 1433.3 secs Computing kpt #: 203 total cpu time spent up to now is 1438.6 secs Computing kpt #: 204 total cpu time spent up to now is 1444.0 secs Computing kpt #: 205 total cpu time spent up to now is 1449.3 secs Computing kpt #: 206 total cpu time spent up to now is 1454.6 secs Computing kpt #: 207 total cpu time spent up to now is 1459.7 secs Computing kpt #: 208 total cpu time spent up to now is 1464.9 secs Computing kpt #: 209 total cpu time spent up to now is 1470.1 secs Computing kpt #: 210 total cpu time spent up to now is 1475.3 secs Computing kpt #: 211 total cpu time spent up to now is 1480.5 secs Computing kpt #: 212 total cpu time spent up to now is 1485.8 secs Computing kpt #: 213 total cpu time spent up to now is 1491.1 secs Computing kpt #: 214 total cpu time spent up to now is 1496.4 secs Computing kpt #: 215 total cpu time spent up to now is 1501.7 secs Computing kpt #: 216 total cpu time spent up to now is 1507.3 secs Computing kpt #: 217 total cpu time spent up to now is 1512.9 secs Computing kpt #: 218 total cpu time spent up to now is 1519.4 secs Computing kpt #: 219 total cpu time spent up to now is 1525.3 secs Computing kpt #: 220 total cpu time spent up to now is 1531.6 secs Computing kpt #: 221 total cpu time spent up to now is 1538.1 secs Computing kpt #: 222 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1546.7 secs Computing kpt #: 223 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1554.1 secs Computing kpt #: 224 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1562.1 secs Computing kpt #: 225 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1569.8 secs Computing kpt #: 226 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1577.3 secs Computing kpt #: 227 total cpu time spent up to now is 1583.7 secs Computing kpt #: 228 total cpu time spent up to now is 1591.0 secs Computing kpt #: 229 total cpu time spent up to now is 1599.2 secs Computing kpt #: 230 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 1607.4 secs Computing kpt #: 231 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 1615.4 secs Computing kpt #: 232 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 1623.5 secs Computing kpt #: 233 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1631.2 secs Computing kpt #: 234 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1638.7 secs Computing kpt #: 235 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1646.0 secs Computing kpt #: 236 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1653.4 secs Computing kpt #: 237 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1660.9 secs Computing kpt #: 238 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1668.0 secs Computing kpt #: 239 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1675.2 secs Computing kpt #: 240 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1682.3 secs Computing kpt #: 241 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1689.4 secs Computing kpt #: 242 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1696.4 secs Computing kpt #: 243 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1703.5 secs Computing kpt #: 244 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1710.5 secs Computing kpt #: 245 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1717.5 secs Computing kpt #: 246 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1724.7 secs Computing kpt #: 247 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1731.9 secs Computing kpt #: 248 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1738.9 secs Computing kpt #: 249 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1745.9 secs Computing kpt #: 250 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1752.9 secs Computing kpt #: 251 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1759.8 secs Computing kpt #: 252 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1766.9 secs Computing kpt #: 253 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1773.9 secs Computing kpt #: 254 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1780.8 secs Computing kpt #: 255 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1787.9 secs Computing kpt #: 256 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1794.8 secs Computing kpt #: 257 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1801.7 secs Computing kpt #: 258 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1808.6 secs Computing kpt #: 259 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1815.8 secs Computing kpt #: 260 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1824.7 secs Computing kpt #: 261 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1831.6 secs Computing kpt #: 262 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1838.4 secs Computing kpt #: 263 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1845.3 secs Computing kpt #: 264 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1852.0 secs Computing kpt #: 265 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1859.5 secs Computing kpt #: 266 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1866.3 secs Computing kpt #: 267 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1873.2 secs Computing kpt #: 268 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1880.2 secs Computing kpt #: 269 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1887.0 secs Computing kpt #: 270 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1893.7 secs ethr = 2.38E-11, avg # of iterations =102.0 total cpu time spent up to now is 1893.8 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 7695 PWs) bands (ev): -1.7031 -1.7031 -0.8240 -0.8240 4.2760 4.2760 4.4462 4.4462 4.9459 4.9459 5.5789 5.5789 5.7600 5.7600 6.5307 6.5307 7.0208 7.0208 7.0410 7.0410 7.4501 7.4501 7.5105 7.5105 7.5506 7.5506 7.6327 7.6327 7.8208 7.8208 7.8546 7.8546 8.5068 8.5068 9.0790 9.0790 9.1048 9.1048 9.7925 9.7925 9.8074 9.8074 10.1293 10.1293 10.3097 10.3097 10.3314 10.3314 10.4921 10.4926 k = 0.0208 0.0120-0.0000 ( 7711 PWs) bands (ev): -1.7023 -1.7023 -0.8249 -0.8249 4.2751 4.2752 4.4448 4.4450 4.9414 4.9415 5.5824 5.5826 5.7625 5.7627 6.5314 6.5314 7.0209 7.0210 7.0413 7.0413 7.4512 7.4512 7.5122 7.5123 7.5516 7.5516 7.6345 7.6345 7.8202 7.8203 7.8540 7.8540 8.5083 8.5083 9.0754 9.0755 9.1013 9.1014 9.7925 9.7926 9.8074 9.8075 10.1278 10.1278 10.3100 10.3101 10.3337 10.3338 10.4844 10.4869 k = 0.0417 0.0241-0.0000 ( 7715 PWs) bands (ev): -1.6998 -1.6998 -0.8277 -0.8277 4.2723 4.2731 4.4402 4.4415 4.9288 4.9294 5.5921 5.5930 5.7700 5.7709 6.5336 6.5336 7.0204 7.0211 7.0424 7.0429 7.4542 7.4545 7.5171 7.5177 7.5549 7.5550 7.6400 7.6402 7.8184 7.8187 7.8524 7.8527 8.5127 8.5127 9.0647 9.0653 9.0910 9.0917 9.7923 9.7931 9.8073 9.8082 10.1233 10.1233 10.3112 10.3119 10.3401 10.3403 10.4655 10.4714 k = 0.0625 0.0361-0.0000 ( 7729 PWs) bands (ev): -1.6956 -1.6956 -0.8322 -0.8322 4.2668 4.2694 4.4319 4.4363 4.9100 4.9120 5.6056 5.6085 5.7820 5.7852 6.5373 6.5373 7.0181 7.0201 7.0456 7.0470 7.4589 7.4601 7.5248 7.5269 7.5603 7.5606 7.6489 7.6496 7.8145 7.8155 7.8506 7.8516 8.5197 8.5197 9.0469 9.0486 9.0745 9.0766 9.7913 9.7937 9.8068 9.8096 10.1160 10.1161 10.3134 10.3153 10.3492 10.3496 10.4410 10.4495 k = 0.0833 0.0481-0.0000 ( 7733 PWs) bands (ev): -1.6898 -1.6898 -0.8385 -0.8385 4.2580 4.2639 4.4197 4.4297 4.8879 4.8925 5.6204 5.6271 5.7982 5.8054 6.5423 6.5423 7.0136 7.0171 7.0518 7.0540 7.4651 7.4679 7.5350 7.5396 7.5678 7.5687 7.6612 7.6628 7.8082 7.8102 7.8495 7.8515 8.5290 8.5291 9.0228 9.0259 9.0526 9.0568 9.7887 9.7929 9.8067 9.8117 10.1063 10.1064 10.3164 10.3196 10.3602 10.3604 10.4143 10.4257 k = 0.1042 0.0601-0.0000 ( 7723 PWs) bands (ev): -1.6824 -1.6824 -0.8465 -0.8465 4.2453 4.2563 4.4030 4.4215 4.8659 4.8741 5.6345 5.6467 5.8180 5.8310 6.5485 6.5485 7.0076 7.0126 7.0604 7.0632 7.4725 7.4775 7.5475 7.5550 7.5776 7.5800 7.6767 7.6794 7.7993 7.8025 7.8500 7.8532 8.5402 8.5403 8.9934 8.9979 9.0265 9.0329 9.7834 9.7882 9.8088 9.8149 10.0944 10.0947 10.3194 10.3231 10.3713 10.3725 10.3900 10.4043 k = 0.1250 0.0722-0.0000 ( 7721 PWs) bands (ev): -1.6735 -1.6735 -0.8561 -0.8561 4.2285 4.2462 4.3817 4.4110 4.8472 4.8598 5.6469 5.6660 5.8405 5.8608 6.5558 6.5558 7.0004 7.0069 7.0710 7.0741 7.4808 7.4888 7.5624 7.5712 7.5894 7.5961 7.6951 7.6992 7.7885 7.7927 7.8524 7.8566 8.5526 8.5527 8.9600 8.9653 8.9972 9.0055 9.7744 9.7782 9.8133 9.8190 10.0809 10.0813 10.3211 10.3230 10.3727 10.3763 10.3857 10.3939 k = 0.1458 0.0842-0.0000 ( 7709 PWs) bands (ev): -1.6631 -1.6631 -0.8674 -0.8674 4.2078 4.2332 4.3559 4.3973 4.8344 4.8515 5.6573 5.6843 5.8645 5.8931 6.5639 6.5640 6.9927 7.0005 7.0827 7.0862 7.4898 7.5009 7.5798 7.5864 7.6033 7.6181 7.7157 7.7215 7.7767 7.7817 7.8568 7.8619 8.5657 8.5659 8.9239 8.9295 8.9654 8.9751 9.7609 9.7632 9.8194 9.8241 10.0660 10.0665 10.3176 10.3211 10.3653 10.3696 10.3995 10.4020 k = 0.1667 0.0962-0.0000 ( 7695 PWs) bands (ev): -1.6512 -1.6512 -0.8801 -0.8801 4.1838 4.2173 4.3261 4.3794 4.8296 4.8506 5.6658 5.7012 5.8886 5.9262 6.5729 6.5731 6.9846 6.9938 7.0952 7.0990 7.4993 7.5134 7.5999 7.6006 7.6193 7.6456 7.7360 7.7446 7.7666 7.7714 7.8632 7.8691 8.5789 8.5791 8.8862 8.8917 8.9316 8.9424 9.7426 9.7432 9.8267 9.8300 10.0501 10.0508 10.3116 10.3204 10.3635 10.3648 10.4122 10.4137 k = 0.1875 0.1083-0.0000 ( 7667 PWs) bands (ev): -1.6379 -1.6379 -0.8943 -0.8942 4.1570 4.1982 4.2938 4.3574 4.8336 4.8571 5.6725 5.7167 5.9116 5.9585 6.5826 6.5829 6.9765 6.9869 7.1077 7.1120 7.5093 7.5254 7.6146 7.6223 7.6374 7.6770 7.7403 7.7517 7.7743 7.7786 7.8719 7.8784 8.5915 8.5916 8.8479 8.8530 8.8966 8.9082 9.7187 9.7196 9.8348 9.8366 10.0336 10.0346 10.3098 10.3210 10.3623 10.3632 10.4160 10.4287 k = 0.2083 0.1203-0.0000 ( 7667 PWs) bands (ev): -1.6234 -1.6234 -0.9097 -0.9097 4.1281 4.1755 4.2608 4.3319 4.8460 4.8706 5.6777 5.7309 5.9323 5.9887 6.5929 6.5934 6.9687 6.9800 7.1200 7.1248 7.5194 7.5366 7.6288 7.6453 7.6583 7.7098 7.7304 7.7419 7.7992 7.8048 7.8830 7.8899 8.6029 8.6030 8.8098 8.8144 8.8610 8.8729 9.6909 9.6928 9.8433 9.8435 10.0169 10.0181 10.3139 10.3231 10.3589 10.3643 10.4120 10.4466 k = 0.2292 0.1323-0.0000 ( 7659 PWs) bands (ev): -1.6077 -1.6077 -0.9263 -0.9263 4.0978 4.1488 4.2292 4.3041 4.8660 4.8902 5.6816 5.7441 5.9498 6.0158 6.6037 6.6044 6.9615 6.9733 7.1314 7.1371 7.5297 7.5467 7.6431 7.6665 7.6815 7.7126 7.7339 7.7501 7.8277 7.8334 7.8968 7.9038 8.6122 8.6127 8.7727 8.7769 8.8253 8.8374 9.6608 9.6634 9.8504 9.8520 10.0006 10.0019 10.3235 10.3240 10.3528 10.3691 10.4068 10.4464 k = 0.2500 0.1443-0.0000 ( 7675 PWs) bands (ev): -1.5909 -1.5909 -0.9440 -0.9440 4.0667 4.1180 4.2006 4.2751 4.8921 4.9150 5.6846 5.7564 5.9632 6.0389 6.6150 6.6157 6.9551 6.9672 7.1419 7.1483 7.5397 7.5554 7.6576 7.6821 7.6994 7.7015 7.7376 7.7867 7.8577 7.8627 7.9134 7.9203 8.6188 8.6200 8.7369 8.7411 8.7905 8.8022 9.6299 9.6328 9.8571 9.8602 9.9849 9.9864 10.3203 10.3328 10.3483 10.3775 10.4058 10.4448 k = 0.2708 0.1564-0.0000 ( 7677 PWs) bands (ev): -1.5733 -1.5732 -0.9626 -0.9625 4.0355 4.0843 4.1754 4.2462 4.9232 4.9437 5.6867 5.7682 5.9719 6.0573 6.6265 6.6274 6.9497 6.9617 7.1510 7.1582 7.5494 7.5627 7.6708 7.6830 7.6880 7.7203 7.7593 7.8236 7.8884 7.8919 7.9329 7.9392 8.6219 8.6243 8.7029 8.7076 8.7571 8.7683 9.5995 9.6023 9.8632 9.8677 9.9703 9.9719 10.3108 10.3230 10.3628 10.3840 10.4157 10.4460 k = 0.2917 0.1684-0.0000 ( 7680 PWs) bands (ev): -1.5548 -1.5547 -0.9819 -0.9818 4.0047 4.0492 4.1534 4.2181 4.9578 4.9755 5.6884 5.7797 5.9755 6.0705 6.6381 6.6390 6.9457 6.9573 7.1588 7.1666 7.5585 7.5688 7.6687 7.6751 7.6931 7.7423 7.7873 7.8591 7.9194 7.9207 7.9551 7.9605 8.6207 8.6251 8.6710 8.6770 8.7261 8.7361 9.5706 9.5733 9.8683 9.8740 9.9574 9.9590 10.2960 10.3046 10.3846 10.3878 10.4367 10.4513 k = 0.3125 0.1804-0.0000 ( 7680 PWs) bands (ev): -1.5357 -1.5357 -1.0017 -1.0016 3.9751 4.0145 4.1338 4.1916 4.9948 5.0092 5.6899 5.7912 5.9737 6.0782 6.6496 6.6505 6.9432 6.9542 7.1650 7.1734 7.5668 7.5735 7.6572 7.6655 7.7091 7.7657 7.8155 7.8921 7.9488 7.9499 7.9795 7.9840 8.6147 8.6220 8.6415 8.6495 8.6984 8.7066 9.5443 9.5466 9.8721 9.8787 9.9464 9.9480 10.2766 10.2822 10.3934 10.4077 10.4622 10.4633 k = 0.3333 0.1925-0.0000 ( 7672 PWs) bands (ev): -1.5163 -1.5163 -1.0218 -1.0217 3.9472 3.9812 4.1165 4.1670 5.0331 5.0439 5.6917 5.8030 5.9667 6.0802 6.6607 6.6615 6.9424 6.9525 7.1697 7.1784 7.5742 7.5772 7.6457 7.6559 7.7270 7.7896 7.8417 7.9218 7.9762 7.9794 8.0053 8.0094 8.6038 8.6111 8.6183 8.6254 8.6744 8.6801 9.5211 9.5230 9.8746 9.8817 9.9379 9.9393 10.2535 10.2566 10.4025 10.4298 10.4795 10.4911 k = 0.3542 0.2045-0.0000 ( 7676 PWs) bands (ev): -1.4968 -1.4968 -1.0419 -1.0418 3.9215 3.9503 4.1014 4.1446 5.0714 5.0786 5.6943 5.8155 5.9547 6.0766 6.6711 6.6718 6.9433 6.9524 7.1730 7.1816 7.5798 7.5806 7.6349 7.6470 7.7458 7.8134 7.8649 7.9475 8.0026 8.0070 8.0317 8.0358 8.5883 8.5885 8.6053 8.6060 8.6536 8.6573 9.5015 9.5029 9.8758 9.8829 9.9321 9.9331 10.2277 10.2289 10.4158 10.4505 10.4989 10.4994 k = 0.3750 0.2165-0.0000 ( 7678 PWs) bands (ev): -1.4776 -1.4776 -1.0616 -1.0616 3.8985 3.9224 4.0883 4.1246 5.1085 5.1121 5.6982 5.8288 5.9382 6.0680 6.6805 6.6810 6.9458 6.9537 7.1750 7.1833 7.5817 7.5861 7.6252 7.6390 7.7653 7.8362 7.8845 7.9684 8.0272 8.0319 8.0581 8.0627 8.5670 8.5705 8.5897 8.5920 8.6346 8.6381 9.4854 9.4865 9.8758 9.8827 9.9292 9.9297 10.2002 10.2003 10.4333 10.4714 10.4983 10.5076 k = 0.3958 0.2285-0.0000 ( 7686 PWs) bands (ev): -1.4592 -1.4591 -1.0805 -1.0805 3.8786 3.8979 4.0775 4.1071 5.1430 5.1436 5.7040 5.8428 5.9183 6.0548 6.6886 6.6889 6.9495 6.9563 7.1760 7.1836 7.5830 7.5909 7.6165 7.6319 7.7850 7.8568 7.9010 7.9841 8.0495 8.0537 8.0840 8.0890 8.5490 8.5523 8.5759 8.5777 8.6169 8.6224 9.4729 9.4735 9.8749 9.8813 9.9290 9.9291 10.1713 10.1725 10.4549 10.4934 10.4981 10.5108 k = 0.4167 0.2406-0.0000 ( 7682 PWs) bands (ev): -1.4421 -1.4421 -1.0980 -1.0979 3.8621 3.8772 4.0691 4.0923 5.1718 5.1735 5.7126 5.8558 5.8980 6.0377 6.6953 6.6954 6.9541 6.9597 7.1761 7.1828 7.5840 7.5950 7.6091 7.6259 7.8045 7.8730 7.9158 7.9940 8.0687 8.0720 8.1085 8.1136 8.5344 8.5356 8.5594 8.5679 8.6012 8.6098 9.4634 9.4638 9.8737 9.8792 9.9310 9.9316 10.1437 10.1454 10.4799 10.4984 10.5071 10.5227 k = 0.4375 0.2526-0.0000 ( 7668 PWs) bands (ev): -1.4272 -1.4271 -1.1132 -1.1132 3.8494 3.8605 4.0629 4.0801 5.1956 5.1986 5.7244 5.8544 5.8916 6.0176 6.7004 6.7005 6.9589 6.9632 7.1759 7.1813 7.5850 7.5986 7.6028 7.6207 7.8233 7.8822 7.9312 7.9981 8.0842 8.0864 8.1306 8.1354 8.5214 8.5229 8.5446 8.5584 8.5894 8.5998 9.4567 9.4569 9.8724 9.8769 9.9351 9.9360 10.1187 10.1205 10.4962 10.5073 10.5106 10.5484 k = 0.4583 0.2646-0.0000 ( 7674 PWs) bands (ev): -1.4153 -1.4153 -1.1252 -1.1252 3.8406 3.8479 4.0593 4.0707 5.2141 5.2171 5.7399 5.8327 5.9063 5.9955 6.7041 6.7041 6.9632 6.9661 7.1757 7.1794 7.5861 7.5973 7.6022 7.6162 7.8408 7.8838 7.9477 7.9963 8.0955 8.0969 8.1488 8.1525 8.5105 8.5133 8.5344 8.5482 8.5831 8.5922 9.4523 9.4524 9.8715 9.8746 9.9405 9.9415 10.0980 10.0997 10.4975 10.5054 10.5406 10.5756 k = 0.4792 0.2766-0.0000 ( 7658 PWs) bands (ev): -1.4077 -1.4076 -1.1330 -1.1330 3.8360 3.8396 4.0582 4.0639 5.2261 5.2280 5.7593 5.8070 5.9267 5.9724 6.7062 6.7062 6.9664 6.9678 7.1758 7.1778 7.5878 7.5932 7.6055 7.6123 7.8565 7.8790 7.9639 7.9894 8.1026 8.1032 8.1613 8.1633 8.5038 8.5059 8.5305 8.5388 8.5815 8.5866 9.4498 9.4498 9.8712 9.8727 9.9454 9.9460 10.0842 10.0852 10.4987 10.5029 10.5712 10.5970 k = 0.5000 0.2887-0.0000 ( 7640 PWs) bands (ev): -1.4050 -1.4050 -1.1357 -1.1357 3.8357 3.8357 4.0597 4.0597 5.2309 5.2309 5.7820 5.7820 5.9491 5.9491 6.7070 6.7070 6.9680 6.9680 7.1765 7.1765 7.5901 7.5901 7.6088 7.6088 7.8695 7.8695 7.9782 7.9782 8.1051 8.1051 8.1664 8.1664 8.5023 8.5023 8.5323 8.5323 8.5830 8.5830 9.4490 9.4490 9.8716 9.8716 9.9477 9.9477 10.0795 10.0795 10.5005 10.5005 10.5956 10.5956 k = 0.5000 0.2887-0.0000 ( 7640 PWs) bands (ev): -1.4050 -1.4050 -1.1357 -1.1357 3.8357 3.8357 4.0597 4.0597 5.2309 5.2309 5.7820 5.7820 5.9491 5.9491 6.7070 6.7070 6.9680 6.9680 7.1765 7.1765 7.5901 7.5901 7.6088 7.6088 7.8695 7.8695 7.9782 7.9782 8.1051 8.1051 8.1664 8.1664 8.5023 8.5023 8.5323 8.5323 8.5830 8.5830 9.4490 9.4490 9.8716 9.8716 9.9477 9.9477 10.0795 10.0795 10.5005 10.5005 10.5956 10.5956 k = 0.4881 0.3093-0.0000 ( 7660 PWs) bands (ev): -1.4042 -1.4042 -1.1364 -1.1364 3.8242 3.8242 4.0735 4.0735 5.2258 5.2258 5.7815 5.7815 5.9522 5.9522 6.7083 6.7083 6.9693 6.9693 7.1758 7.1758 7.5900 7.5900 7.6087 7.6087 7.8687 7.8687 7.9774 7.9774 8.1029 8.1029 8.1673 8.1673 8.5023 8.5023 8.5333 8.5333 8.5846 8.5846 9.4511 9.4511 9.8718 9.8718 9.9479 9.9479 10.0785 10.0785 10.4975 10.4975 10.5703 10.5703 k = 0.4762 0.3299-0.0000 ( 7664 PWs) bands (ev): -1.4020 -1.4020 -1.1386 -1.1386 3.7961 3.7961 4.1086 4.1086 5.2110 5.2110 5.7793 5.7793 5.9618 5.9618 6.7121 6.7121 6.9732 6.9732 7.1739 7.1739 7.5898 7.5898 7.6083 7.6083 7.8661 7.8661 7.9752 7.9752 8.0966 8.0966 8.1700 8.1700 8.5020 8.5020 8.5361 8.5361 8.5892 8.5892 9.4575 9.4575 9.8726 9.8726 9.9485 9.9485 10.0754 10.0754 10.4883 10.4883 10.5228 10.5228 k = 0.4643 0.3505-0.0000 ( 7670 PWs) bands (ev): -1.3983 -1.3983 -1.1422 -1.1422 3.7607 3.7607 4.1554 4.1554 5.1879 5.1879 5.7740 5.7740 5.9780 5.9780 6.7181 6.7181 6.9796 6.9796 7.1706 7.1706 7.5894 7.5894 7.6077 7.6077 7.8622 7.8622 7.9716 7.9716 8.0868 8.0868 8.1746 8.1746 8.5009 8.5009 8.5408 8.5408 8.5967 8.5967 9.4681 9.4681 9.8739 9.8739 9.9495 9.9495 10.0706 10.0706 10.4629 10.4629 10.4816 10.4816 k = 0.4524 0.3712-0.0000 ( 7670 PWs) bands (ev): -1.3932 -1.3932 -1.1472 -1.1472 3.7235 3.7235 4.2085 4.2085 5.1582 5.1582 5.7648 5.7648 6.0004 6.0004 6.7259 6.7259 6.9882 6.9882 7.1661 7.1661 7.5889 7.5889 7.6069 7.6069 7.8570 7.8570 7.9669 7.9669 8.0742 8.0742 8.1812 8.1812 8.4983 8.4983 8.5472 8.5472 8.6065 8.6065 9.4826 9.4826 9.8758 9.8758 9.9509 9.9509 10.0645 10.0645 10.4120 10.4120 10.4607 10.4607 k = 0.4405 0.3918-0.0000 ( 7662 PWs) bands (ev): -1.3866 -1.3866 -1.1536 -1.1536 3.6871 3.6871 4.2649 4.2649 5.1239 5.1239 5.7516 5.7516 6.0276 6.0276 6.7349 6.7349 6.9986 6.9986 7.1603 7.1603 7.5883 7.5883 7.6060 7.6060 7.8511 7.8511 7.9612 7.9612 8.0598 8.0598 8.1898 8.1898 8.4939 8.4939 8.5553 8.5553 8.6178 8.6178 9.5009 9.5009 9.8784 9.8784 9.9526 9.9526 10.0574 10.0574 10.3593 10.3593 10.4360 10.4361 k = 0.4286 0.4124-0.0000 ( 7658 PWs) bands (ev): -1.3786 -1.3786 -1.1613 -1.1613 3.6529 3.6529 4.3230 4.3230 5.0864 5.0864 5.7354 5.7354 6.0577 6.0577 6.7447 6.7447 7.0104 7.0104 7.1535 7.1535 7.5876 7.5876 7.6049 7.6049 7.8449 7.8449 7.9547 7.9547 8.0444 8.0444 8.2004 8.2004 8.4875 8.4875 8.5645 8.5645 8.6298 8.6298 9.5225 9.5225 9.8816 9.8816 9.9547 9.9547 10.0499 10.0499 10.3079 10.3079 10.3965 10.3965 k = 0.4167 0.4330-0.0000 ( 7672 PWs) bands (ev): -1.3692 -1.3692 -1.1705 -1.1705 3.6217 3.6217 4.3815 4.3815 5.0472 5.0472 5.7171 5.7171 6.0888 6.0888 6.7546 6.7546 7.0229 7.0229 7.1457 7.1457 7.5868 7.5868 7.6038 7.6038 7.8390 7.8390 7.9479 7.9479 8.0290 8.0290 8.2130 8.2130 8.4789 8.4789 8.5745 8.5745 8.6416 8.6416 9.5471 9.5471 9.8855 9.8855 9.9570 9.9570 10.0424 10.0424 10.2586 10.2586 10.3464 10.3464 k = 0.4048 0.4536-0.0000 ( 7676 PWs) bands (ev): -1.3585 -1.3585 -1.1810 -1.1810 3.5939 3.5939 4.4394 4.4394 5.0073 5.0073 5.6978 5.6978 6.1194 6.1194 6.7644 6.7644 7.0355 7.0355 7.1373 7.1373 7.5860 7.5860 7.6027 7.6027 7.8338 7.8338 7.9408 7.9408 8.0142 8.0142 8.2277 8.2277 8.4680 8.4680 8.5848 8.5848 8.6525 8.6525 9.5739 9.5739 9.8901 9.8901 9.9597 9.9597 10.0352 10.0352 10.2121 10.2121 10.2962 10.2962 k = 0.3929 0.4743-0.0000 ( 7676 PWs) bands (ev): -1.3465 -1.3465 -1.1928 -1.1928 3.5700 3.5700 4.4956 4.4956 4.9676 4.9676 5.6787 5.6787 6.1478 6.1478 6.7735 6.7735 7.0476 7.0476 7.1288 7.1288 7.5851 7.5851 7.6017 7.6017 7.8298 7.8298 7.9340 7.9340 8.0005 8.0005 8.2444 8.2444 8.4548 8.4548 8.5949 8.5949 8.6620 8.6620 9.6021 9.6021 9.8954 9.8954 9.9628 9.9628 10.0285 10.0285 10.1695 10.1695 10.2489 10.2489 k = 0.3810 0.4949-0.0000 ( 7680 PWs) bands (ev): -1.3333 -1.3333 -1.2058 -1.2058 3.5501 3.5501 4.5489 4.5489 4.9293 4.9293 5.6608 5.6608 6.1729 6.1729 6.7816 6.7816 7.0585 7.0585 7.1206 7.1206 7.5843 7.5843 7.6007 7.6007 7.8272 7.8272 7.9276 7.9276 7.9884 7.9884 8.2629 8.2629 8.4393 8.4393 8.6044 8.6044 8.6697 8.6697 9.6303 9.6303 9.9013 9.9013 9.9663 9.9663 10.0222 10.0222 10.1319 10.1319 10.2058 10.2058 k = 0.3690 0.5155-0.0000 ( 7670 PWs) bands (ev): -1.3189 -1.3189 -1.2201 -1.2201 3.5345 3.5345 4.5973 4.5973 4.8937 4.8937 5.6452 5.6452 6.1935 6.1935 6.7884 6.7884 7.0673 7.0673 7.1135 7.1135 7.5836 7.5836 7.5999 7.5999 7.8262 7.8262 7.9221 7.9221 7.9784 7.9784 8.2834 8.2834 8.4214 8.4214 8.6127 8.6127 8.6755 8.6755 9.6565 9.6565 9.9073 9.9073 9.9706 9.9706 10.0160 10.0160 10.1011 10.1011 10.1677 10.1677 k = 0.3571 0.5361-0.0000 ( 7668 PWs) bands (ev): -1.3034 -1.3034 -1.2355 -1.2355 3.5232 3.5232 4.6380 4.6380 4.8629 4.8629 5.6329 5.6329 6.2088 6.2088 6.7936 6.7936 7.0735 7.0735 7.1084 7.1084 7.5830 7.5830 7.5993 7.5993 7.8263 7.8263 7.9175 7.9175 7.9709 7.9709 8.3055 8.3055 8.4012 8.4012 8.6192 8.6192 8.6793 8.6793 9.6782 9.6782 9.9131 9.9131 9.9760 9.9760 10.0094 10.0094 10.0794 10.0794 10.1359 10.1359 k = 0.3452 0.5567-0.0000 ( 7668 PWs) bands (ev): -1.2869 -1.2869 -1.2520 -1.2520 3.5164 3.5164 4.6664 4.6664 4.8411 4.8411 5.6249 5.6249 6.2181 6.2181 6.7969 6.7969 7.0765 7.0765 7.1058 7.1058 7.5826 7.5826 7.5989 7.5989 7.8272 7.8272 7.9144 7.9144 7.9663 7.9663 8.3290 8.3290 8.3789 8.3789 8.6233 8.6233 8.6814 8.6814 9.6926 9.6926 9.9176 9.9176 9.9827 9.9827 10.0018 10.0018 10.0685 10.0685 10.1124 10.1124 k = 0.3333 0.5774-0.0000 ( 7674 PWs) bands (ev): -1.2695 -1.2695 -1.2693 -1.2693 3.5141 3.5141 4.6765 4.6765 4.8333 4.8333 5.6221 5.6221 6.2213 6.2213 6.7980 6.7980 7.0772 7.0772 7.1052 7.1052 7.5824 7.5824 7.5987 7.5987 7.8277 7.8277 7.9132 7.9132 7.9648 7.9648 8.3510 8.3510 8.3572 8.3572 8.6247 8.6247 8.6821 8.6821 9.6975 9.6975 9.9194 9.9194 9.9887 9.9887 9.9955 9.9955 10.0665 10.0665 10.1026 10.1026 k = 0.3333 0.5774-0.0000 ( 7674 PWs) bands (ev): -1.2695 -1.2695 -1.2693 -1.2693 3.5141 3.5141 4.6765 4.6765 4.8333 4.8333 5.6221 5.6221 6.2213 6.2213 6.7980 6.7980 7.0772 7.0772 7.1052 7.1052 7.5824 7.5824 7.5987 7.5987 7.8277 7.8277 7.9132 7.9132 7.9648 7.9648 8.3510 8.3510 8.3572 8.3572 8.6247 8.6247 8.6821 8.6821 9.6975 9.6975 9.9194 9.9194 9.9887 9.9887 9.9955 9.9955 10.0665 10.0665 10.1026 10.1026 k = 0.3214 0.5567-0.0000 ( 7664 PWs) bands (ev): -1.2878 -1.2878 -1.2511 -1.2511 3.5164 3.5164 4.6680 4.6680 4.8393 4.8393 5.6251 5.6251 6.2182 6.2182 6.7968 6.7968 7.0770 7.0770 7.1054 7.1054 7.5826 7.5826 7.5989 7.5989 7.8268 7.8268 7.9146 7.9146 7.9662 7.9662 8.3276 8.3276 8.3803 8.3803 8.6233 8.6233 8.6815 8.6815 9.6930 9.6930 9.9173 9.9173 9.9815 9.9815 10.0031 10.0031 10.0668 10.0668 10.1140 10.1140 k = 0.3095 0.5361-0.0000 ( 7666 PWs) bands (ev): -1.3070 -1.3070 -1.2319 -1.2319 3.5232 3.5232 4.6483 4.6483 4.8514 4.8514 5.6342 5.6342 6.2091 6.2091 6.7932 6.7932 7.0769 7.0769 7.1053 7.1053 7.5830 7.5830 7.5994 7.5994 7.8238 7.8238 7.9189 7.9189 7.9700 7.9700 8.2997 8.2997 8.4069 8.4069 8.6194 8.6194 8.6797 8.6797 9.6813 9.6813 9.9108 9.9108 9.9713 9.9713 10.0154 10.0154 10.0701 10.0701 10.1439 10.1439 k = 0.2976 0.5155-0.0000 ( 7664 PWs) bands (ev): -1.3269 -1.3269 -1.2121 -1.2121 3.5345 3.5345 4.6239 4.6239 4.8630 4.8630 5.6493 5.6493 6.1947 6.1947 6.7872 6.7872 7.0770 7.0770 7.1049 7.1049 7.5837 7.5837 7.6004 7.6004 7.8185 7.8185 7.9255 7.9255 7.9754 7.9754 8.2704 8.2704 8.4338 8.4338 8.6136 8.6136 8.6768 8.6768 9.6653 9.6653 9.9011 9.9011 9.9607 9.9607 10.0303 10.0303 10.0789 10.0789 10.1853 10.1853 k = 0.2857 0.4949-0.0000 ( 7664 PWs) bands (ev): -1.3473 -1.3473 -1.1917 -1.1917 3.5502 3.5502 4.5984 4.5984 4.8712 4.8712 5.6697 5.6697 6.1755 6.1755 6.7789 6.7789 7.0770 7.0770 7.1046 7.1046 7.5845 7.5845 7.6021 7.6021 7.8112 7.8112 7.9334 7.9334 7.9814 7.9814 8.2402 8.2402 8.4606 8.4606 8.6068 8.6068 8.6730 8.6730 9.6475 9.6475 9.8898 9.8898 9.9505 9.9505 10.0481 10.0481 10.0926 10.0926 10.2339 10.2339 k = 0.2738 0.4743-0.0000 ( 7682 PWs) bands (ev): -1.3683 -1.3683 -1.1707 -1.1707 3.5702 3.5702 4.5731 4.5731 4.8752 4.8752 5.6943 5.6943 6.1526 6.1526 6.7684 6.7684 7.0759 7.0759 7.1049 7.1049 7.5851 7.5851 7.6046 7.6046 7.8025 7.8025 7.9412 7.9412 7.9871 7.9871 8.2093 8.2093 8.4867 8.4867 8.6003 8.6003 8.6687 8.6687 9.6299 9.6299 9.8781 9.8781 9.9413 9.9413 10.0690 10.0690 10.1100 10.1100 10.2862 10.2862 k = 0.2619 0.4536-0.0000 ( 7682 PWs) bands (ev): -1.3895 -1.3895 -1.1494 -1.1494 3.5943 3.5943 4.5488 4.5488 4.8751 4.8751 5.7218 5.7218 6.1268 6.1268 6.7560 6.7560 7.0731 7.0731 7.1063 7.1063 7.5855 7.5855 7.6081 7.6081 7.7926 7.7926 7.9473 7.9473 7.9915 7.9915 8.1783 8.1783 8.5112 8.5112 8.5952 8.5952 8.6649 8.6649 9.6139 9.6139 9.8669 9.8669 9.9336 9.9336 10.0930 10.0930 10.1301 10.1301 10.3367 10.3367 k = 0.2500 0.4330-0.0000 ( 7686 PWs) bands (ev): -1.4110 -1.4110 -1.1279 -1.1279 3.6225 3.6225 4.5260 4.5260 4.8718 4.8718 5.7505 5.7505 6.0991 6.0991 6.7421 6.7421 7.0688 7.0688 7.1086 7.1086 7.5854 7.5854 7.6127 7.6127 7.7819 7.7819 7.9502 7.9502 7.9936 7.9936 8.1473 8.1473 8.5334 8.5334 8.5931 8.5931 8.6624 8.6624 9.6006 9.6006 9.8565 9.8565 9.9279 9.9279 10.1197 10.1197 10.1522 10.1522 10.3752 10.3752 k = 0.2381 0.4124-0.0000 ( 7685 PWs) bands (ev): -1.4326 -1.4326 -1.1062 -1.1062 3.6545 3.6545 4.5048 4.5048 4.8660 4.8660 5.7789 5.7789 6.0706 6.0706 6.7271 6.7271 7.0630 7.0630 7.1113 7.1113 7.5848 7.5848 7.6185 7.6185 7.7705 7.7705 7.9487 7.9487 7.9924 7.9924 8.1168 8.1168 8.5521 8.5521 8.5953 8.5953 8.6625 8.6625 9.5910 9.5910 9.8471 9.8471 9.9246 9.9246 10.1487 10.1487 10.1756 10.1756 10.3995 10.3995 k = 0.2262 0.3918-0.0000 ( 7683 PWs) bands (ev): -1.4542 -1.4542 -1.0844 -1.0844 3.6899 3.6899 4.4854 4.4854 4.8584 4.8584 5.8049 5.8049 6.0426 6.0426 6.7114 6.7114 7.0562 7.0562 7.1140 7.1140 7.5834 7.5834 7.6255 7.6255 7.7585 7.7585 7.9418 7.9418 7.9872 7.9872 8.0871 8.0871 8.5674 8.5674 8.6024 8.6024 8.6663 8.6663 9.5856 9.5856 9.8387 9.8387 9.9239 9.9239 10.1792 10.1792 10.1999 10.1999 10.4165 10.4165 k = 0.2143 0.3712-0.0000 ( 7675 PWs) bands (ev): -1.4755 -1.4755 -1.0628 -1.0628 3.7287 3.7287 4.4677 4.4677 4.8498 4.8498 5.8264 5.8264 6.0167 6.0167 6.6955 6.6955 7.0488 7.0488 7.1164 7.1164 7.5812 7.5812 7.6334 7.6334 7.7459 7.7459 7.9292 7.9292 7.9778 7.9778 8.0582 8.0582 8.5810 8.5810 8.6126 8.6126 8.6743 8.6743 9.5851 9.5851 9.8313 9.8313 9.9258 9.9258 10.2104 10.2104 10.2247 10.2247 10.4287 10.4287 k = 0.2024 0.3505-0.0000 ( 7675 PWs) bands (ev): -1.4966 -1.4966 -1.0414 -1.0414 3.7704 3.7704 4.4518 4.4518 4.8407 4.8407 5.8405 5.8405 5.9952 5.9952 6.6797 6.6797 7.0409 7.0409 7.1182 7.1182 7.5782 7.5782 7.6423 7.6423 7.7329 7.7329 7.9109 7.9109 7.9641 7.9641 8.0302 8.0302 8.5954 8.5954 8.6239 8.6239 8.6869 8.6869 9.5895 9.5895 9.8249 9.8249 9.9305 9.9305 10.2412 10.2412 10.2498 10.2498 10.4369 10.4369 k = 0.1905 0.3299-0.0000 ( 7681 PWs) bands (ev): -1.5172 -1.5172 -1.0203 -1.0203 3.8146 3.8146 4.4377 4.4377 4.8318 4.8318 5.8444 5.8444 5.9805 5.9805 6.6643 6.6643 7.0329 7.0329 7.1192 7.1192 7.5742 7.5742 7.6518 7.6518 7.7197 7.7197 7.8875 7.8875 7.9467 7.9467 8.0033 8.0033 8.6101 8.6101 8.6363 8.6363 8.7038 8.7038 9.5990 9.5990 9.8195 9.8195 9.9377 9.9377 10.2698 10.2698 10.2751 10.2751 10.4413 10.4413 k = 0.1786 0.3093-0.0000 ( 7669 PWs) bands (ev): -1.5372 -1.5372 -0.9997 -0.9997 3.8608 3.8608 4.4254 4.4254 4.8234 4.8234 5.8371 5.8371 5.9731 5.9731 6.6496 6.6496 7.0251 7.0251 7.1192 7.1192 7.5691 7.5691 7.6613 7.6613 7.7070 7.7070 7.8599 7.8599 7.9260 7.9260 7.9778 7.9778 8.6212 8.6212 8.6535 8.6535 8.7250 8.7250 9.6134 9.6134 9.8149 9.8149 9.9472 9.9472 10.2949 10.2949 10.3007 10.3007 10.4423 10.4423 k = 0.1667 0.2887-0.0000 ( 7679 PWs) bands (ev): -1.5565 -1.5565 -0.9797 -0.9797 3.9086 3.9086 4.4149 4.4149 4.8162 4.8162 5.8215 5.8215 5.9698 5.9698 6.6359 6.6359 7.0178 7.0178 7.1182 7.1182 7.5628 7.5628 7.6681 7.6681 7.6973 7.6973 7.8291 7.8291 7.9027 7.9027 7.9541 7.9541 8.6256 8.6256 8.6776 8.6776 8.7500 8.7500 9.6319 9.6319 9.8111 9.8111 9.9588 9.9588 10.3169 10.3169 10.3243 10.3243 10.4405 10.4407 k = 0.1548 0.2681-0.0000 ( 7683 PWs) bands (ev): -1.5751 -1.5751 -0.9604 -0.9604 3.9572 3.9572 4.4062 4.4062 4.8104 4.8104 5.8014 5.8014 5.9665 5.9665 6.6232 6.6232 7.0114 7.0114 7.1159 7.1159 7.5553 7.5553 7.6650 7.6650 7.6978 7.6978 7.7963 7.7963 7.8774 7.8774 7.9327 7.9327 8.6249 8.6249 8.7069 8.7069 8.7783 8.7783 9.6539 9.6539 9.8081 9.8081 9.9722 9.9722 10.3350 10.3350 10.3450 10.3450 10.4366 10.4373 k = 0.1429 0.2474-0.0000 ( 7695 PWs) bands (ev): -1.5927 -1.5927 -0.9420 -0.9420 4.0058 4.0058 4.3994 4.3994 4.8066 4.8066 5.7797 5.7797 5.9605 5.9605 6.6113 6.6113 7.0062 7.0062 7.1124 7.1124 7.5468 7.5468 7.6534 7.6534 7.7063 7.7063 7.7633 7.7633 7.8508 7.8508 7.9139 7.9139 8.6202 8.6202 8.7399 8.7399 8.8091 8.8091 9.6780 9.6780 9.8057 9.8057 9.9870 9.9870 10.3468 10.3468 10.3630 10.3630 10.4263 10.4265 k = 0.1310 0.2268-0.0000 ( 7691 PWs) bands (ev): -1.6094 -1.6094 -0.9245 -0.9245 4.0534 4.0534 4.3945 4.3945 4.8052 4.8052 5.7579 5.7579 5.9504 5.9504 6.6004 6.6004 7.0025 7.0025 7.1076 7.1076 7.5373 7.5373 7.6395 7.6395 7.7114 7.7114 7.7365 7.7365 7.8236 7.8236 7.8979 7.8979 8.6125 8.6125 8.7757 8.7757 8.8416 8.8416 9.7030 9.7030 9.8040 9.8040 10.0027 10.0027 10.3496 10.3496 10.3756 10.3756 10.4100 10.4100 k = 0.1190 0.2062-0.0000 ( 7697 PWs) bands (ev): -1.6249 -1.6249 -0.9081 -0.9081 4.0988 4.0988 4.3918 4.3918 4.8067 4.8067 5.7366 5.7366 5.9360 5.9360 6.5902 6.5902 7.0005 7.0005 7.1016 7.1016 7.5270 7.5270 7.6249 7.6249 7.6901 7.6901 7.7378 7.7378 7.7969 7.7969 7.8846 7.8846 8.6025 8.6025 8.8132 8.8132 8.8751 8.8751 9.7271 9.7271 9.8028 9.8028 10.0190 10.0190 10.3429 10.3429 10.3778 10.3778 10.4091 10.4092 k = 0.1071 0.1856-0.0000 ( 7693 PWs) bands (ev): -1.6392 -1.6392 -0.8929 -0.8929 4.1407 4.1407 4.3916 4.3916 4.8116 4.8116 5.7162 5.7162 5.9174 5.9174 6.5805 6.5805 7.0002 7.0002 7.0944 7.0944 7.5163 7.5163 7.6102 7.6102 7.6611 7.6611 7.7466 7.7466 7.7735 7.7735 7.8738 7.8738 8.5909 8.5909 8.8518 8.8518 8.9087 8.9087 9.7488 9.7488 9.8023 9.8023 10.0355 10.0355 10.3337 10.3337 10.3753 10.3753 10.4084 10.4090 k = 0.0952 0.1650-0.0000 ( 7709 PWs) bands (ev): -1.6522 -1.6522 -0.8790 -0.8790 4.1776 4.1776 4.3941 4.3941 4.8202 4.8202 5.6967 5.6967 5.8955 5.8955 6.5714 6.5714 7.0015 7.0015 7.0862 7.0862 7.5053 7.5053 7.5954 7.5954 7.6342 7.6342 7.7381 7.7381 7.7696 7.7696 7.8653 7.8653 8.5781 8.5781 8.8904 8.8904 8.9419 8.9419 9.7666 9.7666 9.8024 9.8024 10.0517 10.0517 10.3279 10.3279 10.3730 10.3730 10.4017 10.4017 k = 0.0833 0.1443-0.0000 ( 7715 PWs) bands (ev): -1.6639 -1.6639 -0.8665 -0.8665 4.2082 4.2082 4.3994 4.3994 4.8329 4.8329 5.6779 5.6779 5.8713 5.8713 6.5629 6.5629 7.0042 7.0042 7.0774 7.0774 7.4944 7.4944 7.5805 7.5805 7.6111 7.6111 7.7166 7.7166 7.7801 7.7801 7.8588 7.8588 8.5649 8.5649 8.9282 8.9282 8.9739 8.9739 9.7795 9.7795 9.8033 9.8033 10.0673 10.0673 10.3260 10.3260 10.3733 10.3733 10.3933 10.3933 k = 0.0714 0.1237-0.0000 ( 7723 PWs) bands (ev): -1.6741 -1.6741 -0.8555 -0.8555 4.2319 4.2319 4.4072 4.4072 4.8495 4.8495 5.6595 5.6595 5.8463 5.8463 6.5551 6.5551 7.0080 7.0080 7.0683 7.0683 7.4840 7.4840 7.5652 7.5652 7.5926 7.5926 7.6957 7.6957 7.7913 7.7913 7.8542 7.8542 8.5519 8.5519 8.9641 8.9641 9.0040 9.0040 9.7871 9.7871 9.8049 9.8049 10.0819 10.0819 10.3250 10.3250 10.3772 10.3772 10.3870 10.3870 k = 0.0595 0.1031-0.0000 ( 7725 PWs) bands (ev): -1.6829 -1.6829 -0.8460 -0.8460 4.2490 4.2490 4.4166 4.4166 4.8691 4.8691 5.6414 5.6414 5.8221 5.8221 6.5481 6.5481 7.0122 7.0122 7.0596 7.0596 7.4745 7.4745 7.5503 7.5503 7.5786 7.5786 7.6771 7.6771 7.8014 7.8014 7.8515 7.8515 8.5396 8.5396 8.9968 8.9968 9.0315 9.0315 9.7908 9.7908 9.8067 9.8067 10.0952 10.0952 10.3222 10.3222 10.3702 10.3702 10.3993 10.3993 k = 0.0476 0.0825-0.0000 ( 7721 PWs) bands (ev): -1.6901 -1.6901 -0.8382 -0.8382 4.2607 4.2607 4.4262 4.4262 4.8905 4.8905 5.6236 5.6236 5.8006 5.8006 6.5420 6.5420 7.0163 7.0163 7.0519 7.0519 7.4662 7.4662 7.5367 7.5367 7.5680 7.5680 7.6614 7.6614 7.8095 7.8095 7.8505 7.8505 8.5287 8.5287 9.0253 9.0253 9.0558 9.0558 9.7923 9.7923 9.8077 9.8077 10.1068 10.1068 10.3182 10.3182 10.3595 10.3595 10.4213 10.4213 k = 0.0357 0.0619-0.0000 ( 7729 PWs) bands (ev): -1.6958 -1.6958 -0.8320 -0.8320 4.2682 4.2682 4.4346 4.4346 4.9115 4.9115 5.6067 5.6067 5.7830 5.7830 6.5372 6.5372 7.0193 7.0193 7.0460 7.0460 7.4593 7.4593 7.5255 7.5255 7.5602 7.5602 7.6489 7.6489 7.8152 7.8152 7.8511 7.8511 8.5195 8.5195 9.0484 9.0484 9.0762 9.0762 9.7928 9.7928 9.8079 9.8079 10.1163 10.1163 10.3143 10.3143 10.3490 10.3490 10.4458 10.4458 k = 0.0238 0.0412-0.0000 ( 7719 PWs) bands (ev): -1.6998 -1.6998 -0.8276 -0.8276 4.2728 4.2728 4.4410 4.4410 4.9294 4.9294 5.5923 5.5923 5.7702 5.7702 6.5336 6.5336 7.0208 7.0208 7.0426 7.0426 7.4543 7.4543 7.5173 7.5173 7.5548 7.5548 7.6399 7.6399 7.8186 7.8186 7.8526 7.8526 8.5126 8.5126 9.0653 9.0653 9.0916 9.0916 9.7927 9.7927 9.8077 9.8077 10.1234 10.1234 10.3115 10.3115 10.3400 10.3400 10.4684 10.4687 k = 0.0119 0.0206-0.0000 ( 7711 PWs) bands (ev): -1.7023 -1.7023 -0.8249 -0.8249 4.2752 4.2752 4.4449 4.4449 4.9415 4.9415 5.5824 5.5824 5.7626 5.7626 6.5314 6.5314 7.0209 7.0209 7.0413 7.0413 7.4512 7.4512 7.5122 7.5122 7.5516 7.5516 7.6345 7.6345 7.8203 7.8203 7.8540 7.8540 8.5083 8.5083 9.0755 9.0755 9.1014 9.1014 9.7925 9.7925 9.8075 9.8075 10.1278 10.1278 10.3101 10.3101 10.3337 10.3337 10.4853 10.4879 k = 0.0000 0.0000 0.0000 ( 7695 PWs) bands (ev): -1.7031 -1.7031 -0.8240 -0.8240 4.2760 4.2760 4.4462 4.4462 4.9459 4.9459 5.5789 5.5789 5.7600 5.7600 6.5307 6.5307 7.0208 7.0208 7.0410 7.0410 7.4501 7.4501 7.5105 7.5105 7.5506 7.5506 7.6327 7.6327 7.8208 7.8208 7.8546 7.8546 8.5068 8.5068 9.0790 9.0790 9.1048 9.1048 9.7925 9.7925 9.8074 9.8074 10.1293 10.1293 10.3097 10.3097 10.3314 10.3314 10.4916 10.4922 k = 0.0000 0.0000 0.0000 ( 7695 PWs) bands (ev): -1.7031 -1.7031 -0.8240 -0.8240 4.2760 4.2760 4.4462 4.4462 4.9459 4.9459 5.5789 5.5789 5.7600 5.7600 6.5307 6.5307 7.0208 7.0208 7.0410 7.0410 7.4501 7.4501 7.5105 7.5105 7.5506 7.5506 7.6327 7.6327 7.8208 7.8208 7.8546 7.8546 8.5068 8.5068 9.0790 9.0790 9.1048 9.1048 9.7925 9.7925 9.8074 9.8074 10.1293 10.1293 10.3097 10.3097 10.3314 10.3314 10.4918 10.4924 k = 0.0000 0.0000 0.0247 ( 7707 PWs) bands (ev): -1.7017 -1.7017 -0.8234 -0.8234 4.2775 4.2775 4.4473 4.4483 4.9475 4.9475 5.5789 5.5789 5.7596 5.7609 6.5310 6.5310 7.0220 7.0220 7.0421 7.0423 7.4483 7.4483 7.5102 7.5105 7.5485 7.5485 7.6323 7.6323 7.8210 7.8210 7.8547 7.8548 8.5014 8.5014 9.0768 9.0768 9.1005 9.1045 9.7915 9.7915 9.8047 9.8073 10.1277 10.1277 10.2951 10.3114 10.3190 10.3190 10.4743 10.4795 k = 0.0000 0.0000 0.0493 ( 7707 PWs) bands (ev): -1.6976 -1.6976 -0.8214 -0.8214 4.2821 4.2821 4.4516 4.4535 4.9525 4.9525 5.5790 5.5790 5.7597 5.7624 6.5319 6.5319 7.0259 7.0259 7.0456 7.0459 7.4427 7.4427 7.5097 7.5104 7.5429 7.5429 7.6309 7.6309 7.8218 7.8218 7.8553 7.8556 8.4854 8.4854 9.0704 9.0704 9.0918 9.0998 9.7886 9.7886 9.7992 9.8045 10.1226 10.1226 10.2697 10.2873 10.2873 10.2976 10.4499 10.4576 k = 0.0000 0.0000 0.0740 ( 7731 PWs) bands (ev): -1.6906 -1.6906 -0.8181 -0.8181 4.2897 4.2897 4.4590 4.4618 4.9609 4.9609 5.5792 5.5792 5.7604 5.7643 6.5332 6.5332 7.0322 7.0322 7.0514 7.0519 7.4319 7.4319 7.5090 7.5101 7.5349 7.5349 7.6284 7.6284 7.8231 7.8231 7.8562 7.8567 8.4598 8.4598 9.0599 9.0599 9.0791 9.0908 9.7833 9.7833 9.7904 9.7985 10.1138 10.1138 10.2366 10.2455 10.2455 10.2685 10.4368 10.4417 k = 0.0000 0.0000 0.0986 ( 7719 PWs) bands (ev): -1.6809 -1.6809 -0.8134 -0.8134 4.3003 4.3003 4.4695 4.4732 4.9725 4.9725 5.5793 5.5793 5.7615 5.7667 6.5348 6.5348 7.0409 7.0409 7.0595 7.0601 7.4146 7.4146 7.5080 7.5097 7.5264 7.5264 7.6240 7.6240 7.8250 7.8250 7.8577 7.8586 8.4261 8.4261 9.0457 9.0457 9.0627 9.0777 9.7751 9.7751 9.7777 9.7888 10.1006 10.1006 10.1992 10.2000 10.2000 10.2298 10.4327 10.4344 k = 0.0000 0.0000 0.1233 ( 7731 PWs) bands (ev): -1.6685 -1.6685 -0.8075 -0.8075 4.3139 4.3139 4.4830 4.4877 4.9874 4.9874 5.5795 5.5795 5.7630 5.7695 6.5362 6.5362 7.0520 7.0520 7.0698 7.0705 7.3894 7.3894 7.5070 7.5093 7.5188 7.5188 7.6171 7.6171 7.8276 7.8276 7.8597 7.8610 8.3863 8.3863 9.0282 9.0282 9.0431 9.0610 9.7604 9.7633 9.7633 9.7749 10.0826 10.0826 10.1538 10.1538 10.1606 10.1873 10.4295 10.4389 k = 0.0000 0.0000 0.1479 ( 7737 PWs) bands (ev): -1.6533 -1.6533 -0.8003 -0.8003 4.3303 4.3303 4.4995 4.5052 5.0055 5.0055 5.5795 5.5795 5.7648 5.7725 6.5371 6.5371 7.0652 7.0652 7.0821 7.0830 7.3560 7.3560 7.5059 7.5090 7.5128 7.5128 7.6066 7.6066 7.8310 7.8310 7.8622 7.8642 8.3428 8.3428 9.0079 9.0079 9.0209 9.0413 9.7381 9.7473 9.7473 9.7563 10.0594 10.0594 10.1086 10.1086 10.1224 10.1444 10.4314 10.4479 k = 0.0000 0.0000 0.1726 ( 7713 PWs) bands (ev): -1.6354 -1.6354 -0.7919 -0.7919 4.3496 4.3496 4.5189 4.5256 5.0269 5.0269 5.5793 5.5793 5.7669 5.7759 6.5367 6.5367 7.0805 7.0805 7.0964 7.0973 7.3149 7.3149 7.5047 7.5083 7.5083 7.5088 7.5916 7.5916 7.8353 7.8353 7.8656 7.8683 8.2985 8.2985 8.9853 8.9853 8.9964 9.0189 9.7107 9.7267 9.7267 9.7327 10.0311 10.0311 10.0650 10.0650 10.0855 10.1025 10.4379 10.4607 k = 0.0000 0.0000 0.1972 ( 7701 PWs) bands (ev): -1.6149 -1.6149 -0.7822 -0.7822 4.3716 4.3716 4.5412 4.5489 5.0513 5.0513 5.5790 5.5790 5.7691 5.7793 6.5342 6.5342 7.0976 7.0976 7.1124 7.1134 7.2668 7.2668 7.5037 7.5047 7.5047 7.5089 7.5712 7.5712 7.8408 7.8408 7.8698 7.8735 8.2560 8.2560 8.9609 8.9609 8.9703 8.9946 9.6784 9.7012 9.7012 9.7042 9.9978 9.9978 10.0232 10.0232 10.0502 10.0624 10.4485 10.4766 k = 0.0000 0.0000 0.2219 ( 7701 PWs) bands (ev): -1.5918 -1.5918 -0.7713 -0.7713 4.3963 4.3963 4.5662 4.5749 5.0788 5.0788 5.5783 5.5783 5.7715 5.7828 6.5284 6.5284 7.1162 7.1162 7.1299 7.1310 7.2128 7.2128 7.5006 7.5006 7.5027 7.5092 7.5461 7.5461 7.8476 7.8476 7.8751 7.8799 8.2178 8.2178 8.9353 8.9353 8.9430 8.9687 9.6417 9.6709 9.6709 9.6710 9.9599 9.9599 9.9833 9.9833 10.0162 10.0243 10.4630 10.4952 k = 0.0000 0.0000 0.2465 ( 7677 PWs) bands (ev): -1.5660 -1.5660 -0.7592 -0.7592 4.4235 4.4235 4.5938 4.6035 5.1093 5.1093 5.5773 5.5773 5.7739 5.7864 6.5178 6.5178 7.1332 7.1332 7.1488 7.1499 7.1562 7.1562 7.4907 7.4907 7.5018 7.5098 7.5217 7.5217 7.8560 7.8560 7.8819 7.8879 8.1856 8.1856 8.9088 8.9088 8.9151 8.9419 9.6013 9.6337 9.6362 9.6362 9.9175 9.9175 9.9458 9.9458 9.9835 9.9883 10.4807 10.5161 k = 0.0000 0.0000 0.2712 ( 7689 PWs) bands (ev): -1.5377 -1.5377 -0.7460 -0.7460 4.4530 4.4530 4.6239 4.6346 5.1427 5.1427 5.5758 5.5758 5.7762 5.7898 6.5008 6.5008 7.0863 7.0863 7.1597 7.1597 7.1687 7.1697 7.4637 7.4637 7.5010 7.5106 7.5106 7.5107 7.8662 7.8662 7.8902 7.8976 8.1602 8.1602 8.8820 8.8820 8.8870 8.9146 9.5579 9.5930 9.5977 9.5977 9.8711 9.8711 9.9105 9.9105 9.9519 9.9542 10.5010 10.5285 k = 0.0000 0.0000 0.2959 ( 7677 PWs) bands (ev): -1.5069 -1.5069 -0.7317 -0.7317 4.4848 4.4848 4.6563 4.6680 5.1790 5.1790 5.5739 5.5739 5.7784 5.7931 6.4752 6.4752 7.0180 7.0180 7.1812 7.1812 7.1893 7.1902 7.4276 7.4276 7.5003 7.5075 7.5075 7.5117 7.8787 7.8787 7.9005 7.9094 8.1413 8.1413 8.8555 8.8555 8.8592 8.8874 9.5122 9.5494 9.5561 9.5561 9.8214 9.8214 9.8772 9.8772 9.9214 9.9220 10.4888 10.4898 k = 0.0000 0.0000 0.3205 ( 7677 PWs) bands (ev): -1.4737 -1.4737 -0.7163 -0.7163 4.5186 4.5186 4.6908 4.7036 5.2178 5.2178 5.5714 5.5714 5.7804 5.7962 6.4394 6.4394 6.9456 6.9456 7.2035 7.2035 7.2103 7.2110 7.3919 7.3919 7.4997 7.5060 7.5060 7.5127 7.8936 7.8936 7.9131 7.9235 8.1279 8.1279 8.8295 8.8295 8.8321 8.8607 9.4648 9.5036 9.5121 9.5121 9.7691 9.7691 9.8456 9.8456 9.8913 9.8917 10.4407 10.4407 k = 0.0000 0.0000 0.3452 ( 7665 PWs) bands (ev): -1.4381 -1.4381 -0.7000 -0.7000 4.5543 4.5543 4.7273 4.7412 5.2592 5.2592 5.5682 5.5682 5.7823 5.7992 6.3916 6.3916 6.8700 6.8700 7.2259 7.2259 7.2313 7.2317 7.3609 7.3609 7.4991 7.5049 7.5049 7.5138 7.9113 7.9113 7.9283 7.9402 8.1186 8.1186 8.8047 8.8047 8.8062 8.8350 9.4163 9.4564 9.4664 9.4664 9.7149 9.7149 9.8154 9.8154 9.8622 9.8630 10.3907 10.3907 k = 0.0000 0.0000 0.3698 ( 7653 PWs) bands (ev): -1.4003 -1.4003 -0.6826 -0.6826 4.5916 4.5916 4.7655 4.7804 5.3030 5.3030 5.5644 5.5644 5.7840 5.8020 6.3315 6.3315 6.7919 6.7919 7.2479 7.2479 7.2520 7.2521 7.3374 7.3374 7.4984 7.5038 7.5038 7.5146 7.9318 7.9318 7.9463 7.9597 8.1120 8.1120 8.7816 8.7816 8.7821 8.8108 9.3672 9.4083 9.4195 9.4195 9.6594 9.6594 9.7866 9.7866 9.8345 9.8354 10.3401 10.3401 k = 0.0000 0.0000 0.3945 ( 7653 PWs) bands (ev): -1.3602 -1.3602 -0.6645 -0.6645 4.6302 4.6302 4.8051 4.8212 5.3488 5.3488 5.5597 5.5597 5.7857 5.8047 6.2595 6.2595 6.7117 6.7117 7.2686 7.2686 7.2717 7.2720 7.3231 7.3231 7.4976 7.5023 7.5023 7.5152 7.9553 7.9553 7.9671 7.9819 8.1069 8.1069 8.7601 8.7607 8.7607 8.7887 9.3180 9.3599 9.3722 9.3722 9.6029 9.6029 9.7590 9.7590 9.8080 9.8087 10.2895 10.2895 k = 0.0000 0.0000 0.4191 ( 7665 PWs) bands (ev): -1.3181 -1.3181 -0.6455 -0.6455 4.6698 4.6698 4.8459 4.8631 5.3963 5.3963 5.5540 5.5540 5.7874 5.8075 6.1774 6.1774 6.6299 6.6299 7.2872 7.2872 7.2902 7.2909 7.3187 7.3187 7.4966 7.5003 7.5003 7.5154 7.9817 7.9817 7.9908 8.0070 8.1023 8.1023 8.7408 8.7425 8.7425 8.7690 9.2690 9.3117 9.3249 9.3249 9.5458 9.5458 9.7325 9.7325 9.7827 9.7830 10.2391 10.2391 k = 0.0000 0.0000 0.4438 ( 7665 PWs) bands (ev): -1.2739 -1.2739 -0.6257 -0.6257 4.7101 4.7101 4.8875 4.9059 5.4446 5.4446 5.5471 5.5471 5.7893 5.8105 6.0881 6.0881 6.5471 6.5471 7.3022 7.3022 7.3072 7.3083 7.3244 7.3244 7.4956 7.4978 7.4978 7.5153 8.0107 8.0107 8.0171 8.0347 8.0973 8.0973 8.7248 8.7276 8.7276 8.7525 9.2207 9.2642 9.2781 9.2781 9.4887 9.4887 9.7071 9.7071 9.7584 9.7586 10.1893 10.1893 k = 0.0000 0.0000 0.4684 ( 7714 PWs) bands (ev): -1.2278 -1.2278 -0.6053 -0.6053 4.7507 4.7507 4.9296 4.9492 5.4901 5.4901 5.5406 5.5406 5.7917 5.8139 5.9956 5.9956 6.4638 6.4638 7.3158 7.3158 7.3223 7.3236 7.3367 7.3367 7.4946 7.4949 7.4949 7.5148 8.0419 8.0419 8.0456 8.0646 8.0913 8.0913 8.7126 8.7167 8.7167 8.7397 9.1736 9.2179 9.2323 9.2323 9.4316 9.4316 9.6828 9.6828 9.7349 9.7356 10.1403 10.1403 k = 0.0000 0.0000 0.4931 ( 7672 PWs) bands (ev): -1.1800 -1.1800 -0.5843 -0.5843 4.7911 4.7911 4.9718 4.9925 5.5056 5.5056 5.5575 5.5575 5.7948 5.8181 5.9063 5.9063 6.3803 6.3803 7.3317 7.3317 7.3350 7.3366 7.3500 7.3500 7.4918 7.4918 7.4938 7.5142 8.0748 8.0748 8.0759 8.0839 8.0839 8.0963 8.7048 8.7102 8.7102 8.7311 9.1280 9.1734 9.1880 9.1880 9.3750 9.3750 9.6596 9.6596 9.7124 9.7136 10.0923 10.0923 k = 0.0000 0.0000 0.5177 ( 7666 PWs) bands (ev): -1.1306 -1.1306 -0.5629 -0.5629 4.8307 4.8307 5.0135 5.0353 5.4806 5.4806 5.5991 5.5991 5.7990 5.8233 5.8312 5.8312 6.2972 6.2972 7.3449 7.3465 7.3507 7.3507 7.3620 7.3620 7.4890 7.4890 7.4936 7.5137 8.0746 8.0746 8.1072 8.1091 8.1091 8.1292 8.7019 8.7089 8.7089 8.7273 9.0844 9.1311 9.1455 9.1455 9.3190 9.3190 9.6374 9.6374 9.6911 9.6926 10.0453 10.0453 k = 0.0000 0.0000 0.5424 ( 7648 PWs) bands (ev): -1.0797 -1.0797 -0.5410 -0.5410 4.8690 4.8690 5.0543 5.0772 5.4309 5.4309 5.6328 5.6328 5.7887 5.7887 5.8047 5.8299 6.2148 6.2148 7.3514 7.3529 7.3666 7.3666 7.3767 7.3767 7.4871 7.4871 7.4943 7.5136 8.0636 8.0636 8.1387 8.1436 8.1436 8.1624 8.7042 8.7131 8.7131 8.7286 9.0434 9.0917 9.1056 9.1056 9.2638 9.2638 9.6162 9.6162 9.6708 9.6726 9.9997 9.9997 k = 0.0000 0.0000 0.5671 ( 7672 PWs) bands (ev): -1.0276 -1.0276 -0.5189 -0.5189 4.9053 4.9053 5.0936 5.1174 5.3556 5.3556 5.6455 5.6455 5.7946 5.7946 5.8124 5.8385 6.1338 6.1338 7.3541 7.3551 7.3709 7.3709 7.4007 7.4007 7.4872 7.4872 7.4962 7.5144 8.0508 8.0508 8.1696 8.1775 8.1775 8.1952 8.7116 8.7230 8.7230 8.7354 9.0057 9.0561 9.0686 9.0686 9.2095 9.2095 9.5961 9.5961 9.6515 9.6536 9.9554 9.9554 k = 0.0000 0.0000 0.5917 ( 7678 PWs) bands (ev): -0.9743 -0.9743 -0.4966 -0.4966 4.9386 4.9386 5.1308 5.1553 5.2610 5.2610 5.6472 5.6472 5.8227 5.8338 5.8338 5.8494 6.0545 6.0545 7.3526 7.3531 7.3688 7.3688 7.4272 7.4272 7.4904 7.4904 7.4995 7.5163 8.0364 8.0364 8.1993 8.2104 8.2104 8.2266 8.7238 8.7384 8.7384 8.7473 8.9724 9.0253 9.0353 9.0353 9.1564 9.1564 9.5770 9.5770 9.6334 9.6356 9.9126 9.9126 k = 0.0000 0.0000 0.6164 ( 7696 PWs) bands (ev): -0.9202 -0.9202 -0.4742 -0.4742 4.9679 4.9679 5.1562 5.1562 5.1654 5.1904 5.6510 5.6510 5.8361 5.8632 5.8853 5.8853 5.9783 5.9783 7.3467 7.3468 7.3611 7.3611 7.4537 7.4537 7.4977 7.4977 7.5042 7.5194 8.0205 8.0205 8.2270 8.2415 8.2415 8.2560 8.7394 8.7585 8.7585 8.7631 8.9452 9.0011 9.0069 9.0069 9.1045 9.1045 9.5590 9.5590 9.6164 9.6186 9.8714 9.8714 k = 0.0000 0.0000 0.6410 ( 7702 PWs) bands (ev): -0.8654 -0.8654 -0.4519 -0.4519 4.9870 4.9870 5.0525 5.0525 5.1969 5.2219 5.6597 5.6597 5.8530 5.8802 5.8990 5.8990 5.9477 5.9477 7.3363 7.3368 7.3483 7.3483 7.4764 7.4764 7.5101 7.5121 7.5121 7.5238 8.0034 8.0034 8.2524 8.2702 8.2702 8.2826 8.7560 8.7796 8.7816 8.7816 8.9275 8.9848 8.9848 8.9858 9.0543 9.0543 9.5421 9.5421 9.6006 9.6026 9.8319 9.8319 k = 0.0000 0.0000 0.6657 ( 7690 PWs) bands (ev): -0.8104 -0.8104 -0.4298 -0.4298 4.9224 4.9224 5.0265 5.0265 5.2249 5.2496 5.6723 5.6723 5.8317 5.8317 5.8737 5.9006 6.0046 6.0046 7.3222 7.3229 7.3314 7.3314 7.4920 7.4920 7.5170 7.5293 7.5357 7.5357 7.9856 7.9856 8.2750 8.2963 8.2963 8.3061 8.7703 8.7912 8.8042 8.8042 8.9249 8.9697 8.9697 8.9827 9.0082 9.0082 9.5264 9.5264 9.5860 9.5877 9.7942 9.7942 k = 0.0000 0.0000 0.6903 ( 7690 PWs) bands (ev): -0.7552 -0.7552 -0.4081 -0.4081 4.8131 4.8131 5.0410 5.0410 5.2491 5.2731 5.6830 5.6830 5.7725 5.7725 5.8985 5.9247 6.0646 6.0646 7.3048 7.3054 7.3110 7.3110 7.5034 7.5034 7.5246 7.5357 7.5648 7.5648 7.9673 7.9673 8.2946 8.3192 8.3192 8.3259 8.7796 8.7939 8.8218 8.8218 8.9412 8.9450 8.9450 8.9871 8.9871 8.9939 9.5119 9.5119 9.5725 9.5738 9.7585 9.7585 k = 0.0000 0.0000 0.7150 ( 7690 PWs) bands (ev): -0.7003 -0.7003 -0.3868 -0.3868 4.7030 4.7030 5.0536 5.0536 5.2695 5.2924 5.6652 5.6652 5.7499 5.7499 5.9271 5.9523 6.1248 6.1248 7.2845 7.2850 7.2879 7.2879 7.5133 7.5133 7.5327 7.5428 7.5958 7.5958 7.9491 7.9491 8.3110 8.3387 8.3387 8.3418 8.7839 8.7907 8.8317 8.8317 8.9013 8.9013 8.9730 9.0027 9.0027 9.0190 9.4986 9.4986 9.5603 9.5611 9.7247 9.7247 k = 0.0000 0.0000 0.7396 ( 7684 PWs) bands (ev): -0.6461 -0.6461 -0.3661 -0.3661 4.5954 4.5954 5.0623 5.0623 5.2862 5.3077 5.6148 5.6148 5.7676 5.7676 5.9593 5.9831 6.1845 6.1845 7.2617 7.2618 7.2624 7.2624 7.5229 7.5229 7.5412 7.5505 7.6270 7.6270 7.9316 7.9316 8.3241 8.3535 8.3545 8.3545 8.7856 8.7869 8.8360 8.8360 8.8555 8.8555 9.0143 9.0349 9.0349 9.0548 9.4866 9.4866 9.5494 9.5496 9.6929 9.6929 k = 0.0000 0.0000 0.7643 ( 7696 PWs) bands (ev): -0.5928 -0.5928 -0.3462 -0.3462 4.4913 4.4913 5.0671 5.0671 5.2996 5.3194 5.5601 5.5601 5.7970 5.7970 5.9944 6.0167 6.2432 6.2432 7.2352 7.2352 7.2365 7.2368 7.5323 7.5323 7.5501 7.5585 7.6573 7.6573 7.9156 7.9156 8.3336 8.3611 8.3664 8.3664 8.7857 8.7876 8.8093 8.8093 8.8399 8.8399 9.0610 9.0762 9.0762 9.0978 9.4759 9.4759 9.5393 9.5398 9.6633 9.6633 k = 0.0000 0.0000 0.7889 ( 7696 PWs) bands (ev): -0.5411 -0.5411 -0.3272 -0.3272 4.3918 4.3918 5.0685 5.0685 5.3100 5.3280 5.5082 5.5082 5.8308 5.8308 6.0319 6.0525 6.3003 6.3003 7.2067 7.2067 7.2095 7.2102 7.5416 7.5416 7.5591 7.5668 7.6855 7.6855 7.9024 7.9024 8.3397 8.3648 8.3744 8.3744 8.7643 8.7643 8.7883 8.7915 8.8452 8.8452 9.1109 9.1222 9.1222 9.1452 9.4667 9.4667 9.5301 9.5316 9.6358 9.6358 k = 0.0000 0.0000 0.8136 ( 7684 PWs) bands (ev): -0.4912 -0.4912 -0.3092 -0.3092 4.2976 4.2976 5.0667 5.0667 5.3178 5.3340 5.4604 5.4604 5.8667 5.8667 6.0709 6.0899 6.3553 6.3553 7.1773 7.1773 7.1811 7.1823 7.5508 7.5508 7.5683 7.5753 7.7098 7.7098 7.8938 7.8938 8.3427 8.3649 8.3788 8.3788 8.7198 8.7198 8.7947 8.7980 8.8535 8.8535 9.1624 9.1703 9.1703 9.1951 9.4590 9.4590 9.5223 9.5248 9.6105 9.6105 k = 0.0000 0.0000 0.8383 ( 7690 PWs) bands (ev): -0.4438 -0.4438 -0.2924 -0.2924 4.2095 4.2095 5.0622 5.0622 5.3236 5.3379 5.4177 5.4177 5.9035 5.9035 6.1108 6.1280 6.4077 6.4077 7.1477 7.1477 7.1519 7.1536 7.5599 7.5599 7.5774 7.5838 7.7276 7.7276 7.8925 7.8925 8.3430 8.3622 8.3801 8.3801 8.6761 8.6761 8.8044 8.8071 8.8649 8.8649 9.2143 9.2190 9.2190 9.2461 9.4530 9.4530 9.5158 9.5197 9.5876 9.5876 k = 0.0000 0.0000 0.8629 ( 7702 PWs) bands (ev): -0.3993 -0.3993 -0.2770 -0.2770 4.1282 4.1282 5.0556 5.0556 5.3277 5.3402 5.3803 5.3803 5.9403 5.9403 6.1506 6.1661 6.4568 6.4568 7.1183 7.1183 7.1224 7.1244 7.5686 7.5686 7.5863 7.5921 7.7371 7.7371 7.9005 7.9005 8.3412 8.3575 8.3788 8.3788 8.6330 8.6330 8.8166 8.8184 8.8788 8.8788 9.2657 9.2665 9.2665 9.2971 9.4493 9.4493 9.5108 9.5163 9.5670 9.5670 k = 0.0000 0.0000 0.8876 ( 7714 PWs) bands (ev): -0.3583 -0.3583 -0.2629 -0.2629 4.0544 4.0544 5.0472 5.0472 5.3306 5.3413 5.3483 5.3483 5.9760 5.9760 6.1896 6.2034 6.5020 6.5020 7.0897 7.0897 7.0931 7.0955 7.5768 7.5768 7.5949 7.6000 7.7386 7.7386 7.9175 7.9175 8.3379 8.3515 8.3758 8.3758 8.5910 8.5910 8.8301 8.8311 8.8944 8.8944 9.3111 9.3111 9.3154 9.3470 9.4489 9.4489 9.5076 9.5153 9.5489 9.5489 k = 0.0000 0.0000 0.9122 ( 7714 PWs) bands (ev): -0.3214 -0.3214 -0.2505 -0.2505 3.9888 3.9888 5.0379 5.0379 5.3217 5.3217 5.3325 5.3416 6.0097 6.0097 6.2269 6.2390 6.5429 6.5429 7.0626 7.0626 7.0648 7.0673 7.5845 7.5845 7.6030 7.6074 7.7348 7.7348 7.9409 7.9409 8.3339 8.3450 8.3717 8.3717 8.5501 8.5501 8.8441 8.8443 8.9106 8.9106 9.3496 9.3496 9.3619 9.3941 9.4544 9.4544 9.5075 9.5178 9.5334 9.5334 k = 0.0000 0.0000 0.9369 ( 7714 PWs) bands (ev): -0.2891 -0.2891 -0.2397 -0.2397 3.9320 3.9320 5.0282 5.0282 5.3002 5.3002 5.3338 5.3412 6.0406 6.0406 6.2616 6.2719 6.5787 6.5787 7.0376 7.0376 7.0382 7.0407 7.5915 7.5915 7.6103 7.6140 7.7283 7.7283 7.9676 7.9676 8.3296 8.3384 8.3672 8.3672 8.5110 8.5110 8.8572 8.8575 8.9264 8.9264 9.3766 9.3766 9.4024 9.4343 9.4702 9.4702 9.5142 9.5211 9.5211 9.5262 k = 0.0000 0.0000 0.9615 ( 7720 PWs) bands (ev): -0.2620 -0.2620 -0.2306 -0.2306 3.8846 3.8846 5.0190 5.0190 5.2834 5.2834 5.3347 5.3405 6.0676 6.0676 6.2927 6.3012 6.6090 6.6090 7.0142 7.0156 7.0156 7.0166 7.5975 7.5975 7.6167 7.6198 7.7213 7.7213 7.9951 7.9951 8.3256 8.3324 8.3628 8.3628 8.4745 8.4745 8.8691 8.8697 8.9409 8.9409 9.3905 9.3905 9.4328 9.4591 9.4926 9.4926 9.5174 9.5174 9.5361 9.5445 k = 0.0000 0.0000 0.9862 ( 7738 PWs) bands (ev): -0.2407 -0.2407 -0.2230 -0.2230 3.8472 3.8472 5.0109 5.0109 5.2709 5.2709 5.3353 5.3397 6.0899 6.0899 6.3190 6.3256 6.6331 6.6331 6.9938 6.9959 6.9974 6.9974 7.6024 7.6024 7.6220 7.6243 7.7148 7.7148 8.0213 8.0213 8.3222 8.3271 8.3589 8.3589 8.4419 8.4419 8.8791 8.8798 8.9532 8.9532 9.3962 9.3962 9.4510 9.4681 9.4949 9.4949 9.5437 9.5437 9.5731 9.5747 k = 0.0000 0.0000 1.0108 ( 7720 PWs) bands (ev): -0.2263 -0.2263 -0.2165 -0.2165 3.8201 3.8201 5.0047 5.0047 5.2623 5.2623 5.3359 5.3388 6.1066 6.1066 6.3393 6.3438 6.6508 6.6508 6.9783 6.9798 6.9836 6.9836 7.6060 7.6060 7.6261 7.6277 7.7098 7.7098 8.0435 8.0435 8.3198 8.3230 8.3560 8.3560 8.4153 8.4153 8.8868 8.8874 8.9625 8.9625 9.3984 9.3984 9.4606 9.4703 9.4903 9.4903 9.5817 9.5817 9.6131 9.6160 k = 0.0000 0.0000 1.0355 ( 7732 PWs) bands (ev): -0.2195 -0.2195 -0.2106 -0.2106 3.8037 3.8037 5.0008 5.0008 5.2573 5.2573 5.3365 5.3379 6.1170 6.1170 6.3526 6.3549 6.6615 6.6615 6.9686 6.9695 6.9751 6.9751 7.6082 7.6082 7.6287 7.6295 7.7066 7.7066 8.0588 8.0588 8.3186 8.3201 8.3541 8.3541 8.3974 8.3974 8.8917 8.8920 8.9684 8.9684 9.3992 9.3992 9.4656 9.4701 9.4871 9.4871 9.6184 9.6184 9.6543 9.6590 k = 0.0000 0.0000 1.0601 ( 7708 PWs) bands (ev): -0.2177 -0.2177 -0.2081 -0.2081 3.7982 3.7982 4.9994 4.9994 5.2557 5.2557 5.3372 5.3372 6.1205 6.1205 6.3579 6.3579 6.6651 6.6651 6.9656 6.9656 6.9722 6.9722 7.6090 7.6090 7.6299 7.6299 7.7055 7.7055 8.0643 8.0643 8.3187 8.3187 8.3534 8.3534 8.3910 8.3910 8.8935 8.8935 8.9704 8.9704 9.3994 9.3994 9.4685 9.4685 9.4860 9.4860 9.6384 9.6384 9.6843 9.6843 k = 0.0000 0.0000 1.0601 ( 7708 PWs) bands (ev): -0.2177 -0.2177 -0.2081 -0.2081 3.7982 3.7982 4.9994 4.9994 5.2557 5.2557 5.3372 5.3372 6.1205 6.1205 6.3579 6.3579 6.6651 6.6651 6.9656 6.9656 6.9722 6.9722 7.6090 7.6090 7.6299 7.6299 7.7055 7.7055 8.0643 8.0643 8.3187 8.3187 8.3534 8.3534 8.3910 8.3910 8.8935 8.8935 8.9704 8.9704 9.3994 9.3994 9.4685 9.4685 9.4860 9.4860 9.6384 9.6384 9.6843 9.6843 k = 0.0208 0.0120 1.0601 ( 7722 PWs) bands (ev): -0.2178 -0.2178 -0.2081 -0.2081 3.7990 3.7990 4.9986 4.9986 5.2545 5.2546 5.3375 5.3376 6.1197 6.1198 6.3571 6.3572 6.6628 6.6628 6.9683 6.9684 6.9751 6.9752 7.6086 7.6086 7.6294 7.6294 7.7057 7.7057 8.0652 8.0652 8.3162 8.3166 8.3489 8.3497 8.3971 8.3976 8.8920 8.8921 8.9686 8.9687 9.3921 9.3925 9.4546 9.4551 9.4823 9.4824 9.6515 9.6519 9.6838 9.6842 k = 0.0417 0.0241 1.0601 ( 7718 PWs) bands (ev): -0.2178 -0.2178 -0.2080 -0.2080 3.8014 3.8014 4.9960 4.9962 5.2512 5.2513 5.3387 5.3390 6.1175 6.1178 6.3547 6.3552 6.6562 6.6562 6.9761 6.9766 6.9838 6.9843 7.6073 7.6075 7.6279 7.6281 7.7065 7.7066 8.0680 8.0680 8.3078 8.3103 8.3408 8.3451 8.4099 8.4118 8.8867 8.8878 8.9633 8.9646 9.3718 9.3743 9.4221 9.4256 9.4712 9.4720 9.6635 9.6648 9.6922 9.6943 k = 0.0625 0.0361 1.0601 ( 7714 PWs) bands (ev): -0.2179 -0.2178 -0.2080 -0.2079 3.8053 3.8053 4.9914 4.9918 5.2457 5.2462 5.3406 5.3419 6.1135 6.1146 6.3505 6.3520 6.6461 6.6462 6.9885 6.9896 6.9980 6.9992 7.6049 7.6057 7.6255 7.6261 7.7079 7.7080 8.0726 8.0727 8.2946 8.2994 8.3346 8.3433 8.4243 8.4286 8.8762 8.8797 8.9561 8.9598 9.3420 9.3492 9.3821 9.3910 9.4553 9.4577 9.6392 9.6425 9.7313 9.7382 k = 0.0833 0.0481 1.0601 ( 7710 PWs) bands (ev): -0.2181 -0.2179 -0.2080 -0.2078 3.8108 3.8109 4.9844 4.9854 5.2384 5.2397 5.3437 5.3464 6.1077 6.1103 6.3446 6.3480 6.6333 6.6334 7.0050 7.0071 7.0168 7.0191 7.6012 7.6029 7.6222 7.6236 7.7097 7.7099 8.0790 8.0792 8.2789 8.2854 8.3308 8.3434 8.4390 8.4461 8.8595 8.8663 8.9489 8.9560 9.3063 9.3204 9.3400 9.3562 9.4374 9.4420 9.6052 9.6100 9.7762 9.7886 k = 0.1042 0.0601 1.0601 ( 7712 PWs) bands (ev): -0.2183 -0.2179 -0.2079 -0.2075 3.8179 3.8179 4.9745 4.9763 5.2296 5.2321 5.3480 5.3531 6.1001 6.1049 6.3367 6.3432 6.6185 6.6187 7.0254 7.0288 7.0396 7.0432 7.5959 7.5990 7.6184 7.6209 7.7119 7.7123 8.0871 8.0874 8.2623 8.2697 8.3283 8.3443 8.4532 8.4637 8.8365 8.8464 8.9437 8.9540 9.2674 9.2866 9.3018 9.3233 9.4188 9.4263 9.5665 9.5729 9.8229 9.8409 k = 0.1250 0.0722 1.0601 ( 7704 PWs) bands (ev): -0.2186 -0.2180 -0.2078 -0.2072 3.8266 3.8266 4.9616 4.9642 5.2199 5.2241 5.3538 5.3621 6.0906 6.0984 6.3271 6.3377 6.6026 6.6029 7.0493 7.0542 7.0654 7.0708 7.5890 7.5936 7.6145 7.6181 7.7146 7.7151 8.0968 8.0973 8.2454 8.2532 8.3267 8.3455 8.4667 8.4808 8.8081 8.8204 8.9412 8.9536 9.2270 9.2453 9.2725 9.2934 9.4001 9.4108 9.5254 9.5333 9.8699 9.8909 k = 0.1458 0.0842 1.0601 ( 7704 PWs) bands (ev): -0.2190 -0.2181 -0.2077 -0.2069 3.8367 3.8367 4.9453 4.9487 5.2097 5.2161 5.3615 5.3737 6.0793 6.0909 6.3158 6.3317 6.5861 6.5865 7.0763 7.0831 7.0939 7.1013 7.5805 7.5865 7.6109 7.6152 7.7175 7.7183 8.1080 8.1088 8.2285 8.2364 8.3257 8.3469 8.4794 8.4974 8.7756 8.7894 8.9409 8.9542 9.1860 9.2020 9.2482 9.2668 9.3814 9.3957 9.4831 9.4927 9.9167 9.9414 k = 0.1667 0.0962 1.0601 ( 7698 PWs) bands (ev): -0.2194 -0.2183 -0.2076 -0.2064 3.8483 3.8484 4.9256 4.9297 5.1994 5.2085 5.3713 5.3879 6.0663 6.0823 6.3030 6.3250 6.5693 6.5698 7.1058 7.1150 7.1245 7.1344 7.5706 7.5777 7.6075 7.6124 7.7208 7.7219 8.1205 8.1216 8.2115 8.2193 8.3252 8.3485 8.4911 8.5131 8.7399 8.7547 8.9424 8.9554 9.1455 9.1592 9.2275 9.2439 9.3629 9.3806 9.4407 9.4519 9.9627 9.9929 k = 0.1875 0.1083 1.0601 ( 7702 PWs) bands (ev): -0.2199 -0.2185 -0.2074 -0.2059 3.8614 3.8615 4.9027 4.9073 5.1895 5.2015 5.3833 5.4048 6.0519 6.0725 6.2887 6.3177 6.5526 6.5532 7.1375 7.1492 7.1570 7.1697 7.5593 7.5672 7.6045 7.6094 7.7242 7.7256 8.1341 8.1357 8.1943 8.2018 8.3253 8.3502 8.5018 8.5278 8.7020 8.7172 8.9452 8.9567 9.1061 9.1173 9.2105 9.2248 9.3444 9.3647 9.3994 9.4116 10.0074 10.0373 k = 0.2083 0.1203 1.0601 ( 7700 PWs) bands (ev): -0.2204 -0.2187 -0.2071 -0.2054 3.8759 3.8760 4.8767 4.8817 5.1802 5.1951 5.3976 5.4241 6.0362 6.0616 6.2734 6.3097 6.5362 6.5368 7.1709 7.1851 7.1916 7.2071 7.5470 7.5555 7.6016 7.6064 7.7278 7.7294 8.1485 8.1507 8.1769 8.1840 8.3259 8.3522 8.5114 8.5414 8.6624 8.6780 8.9490 8.9574 9.0687 9.0768 9.1971 9.2094 9.3260 9.3447 9.3628 9.3722 10.0506 10.0797 k = 0.2292 0.1323 1.0601 ( 7700 PWs) bands (ev): -0.2209 -0.2191 -0.2068 -0.2049 3.8917 3.8918 4.8483 4.8533 5.1715 5.1893 5.4143 5.4456 6.0195 6.0494 6.2573 6.3008 6.5204 6.5210 7.2056 7.2215 7.2286 7.2461 7.5338 7.5428 7.5989 7.6034 7.7314 7.7334 8.1584 8.1642 8.1656 8.1665 8.3272 8.3544 8.5199 8.5535 8.6220 8.6378 8.9533 8.9560 9.0351 9.0381 9.1874 9.1977 9.3075 9.3117 9.3344 9.3403 10.0920 10.1205 k = 0.2500 0.1443 1.0601 ( 7706 PWs) bands (ev): -0.2215 -0.2194 -0.2064 -0.2043 3.9087 3.9089 4.8177 4.8227 5.1637 5.1839 5.4333 5.4692 6.0021 6.0360 6.2407 6.2912 6.5052 6.5059 7.2414 7.2579 7.2680 7.2865 7.5199 7.5293 7.5964 7.6004 7.7350 7.7372 8.1403 8.1467 8.1794 8.1826 8.3290 8.3569 8.5263 8.5628 8.5826 8.5980 8.9487 8.9571 9.0024 9.0093 9.1810 9.1893 9.2745 9.2886 9.2988 9.3233 10.1312 10.1589 k = 0.2708 0.1564 1.0601 ( 7692 PWs) bands (ev): -0.2220 -0.2199 -0.2060 -0.2038 3.9270 3.9271 4.7856 4.7904 5.1567 5.1788 5.4545 5.4946 5.9844 6.0212 6.2239 6.2805 6.4908 6.4915 7.2779 7.2945 7.3089 7.3278 7.5058 7.5153 7.5940 7.5974 7.7386 7.7410 8.1212 8.1271 8.1950 8.1989 8.3312 8.3597 8.5255 8.5381 8.5644 8.5758 8.9306 8.9518 8.9781 8.9965 9.1773 9.1836 9.2389 9.2623 9.2734 9.3069 10.1679 10.1945 k = 0.2917 0.1684 1.0601 ( 7688 PWs) bands (ev): -0.2225 -0.2203 -0.2055 -0.2033 3.9462 3.9464 4.7524 4.7571 5.1506 5.1740 5.4776 5.5214 5.9664 6.0049 6.2075 6.2689 6.4773 6.4780 7.3148 7.3313 7.3506 7.3697 7.4916 7.5010 7.5917 7.5945 7.7420 7.7446 8.1011 8.1066 8.2107 8.2150 8.3334 8.3628 8.4984 8.5005 8.5544 8.5830 8.9049 8.9251 8.9774 8.9937 9.1736 9.1792 9.2081 9.2321 9.2561 9.2907 10.2018 10.2272 k = 0.3125 0.1804 1.0601 ( 7688 PWs) bands (ev): -0.2230 -0.2208 -0.2050 -0.2028 3.9663 3.9666 4.7187 4.7231 5.1455 5.1694 5.5024 5.5492 5.9485 5.9873 6.1916 6.2564 6.4648 6.4655 7.3519 7.3681 7.3924 7.4117 7.4777 7.4869 7.5897 7.5917 7.7453 7.7480 8.0802 8.0854 8.2259 8.2308 8.3347 8.3659 8.4604 8.4626 8.5574 8.5891 8.8774 8.8948 8.9829 8.9952 9.1598 9.1719 9.1922 9.2077 9.2412 9.2746 10.2327 10.2565 k = 0.3333 0.1925 1.0601 ( 7676 PWs) bands (ev): -0.2235 -0.2213 -0.2045 -0.2023 3.9870 3.9873 4.6851 4.6892 5.1412 5.1650 5.5288 5.5777 5.9309 5.9681 6.1769 6.2431 6.4534 6.4541 7.3888 7.4046 7.4338 7.4518 7.4659 7.4733 7.5879 7.5890 7.7484 7.7512 8.0585 8.0634 8.2406 8.2460 8.3329 8.3677 8.4245 8.4267 8.5623 8.5936 8.8508 8.8657 8.9892 8.9987 9.1349 9.1554 9.1917 9.1941 9.2301 9.2592 10.2604 10.2824 k = 0.3542 0.2045 1.0601 ( 7686 PWs) bands (ev): -0.2238 -0.2219 -0.2040 -0.2019 4.0079 4.0083 4.6522 4.6559 5.1379 5.1608 5.5563 5.6065 5.9135 5.9475 6.1636 6.2290 6.4432 6.4438 7.4245 7.4399 7.4515 7.4592 7.4759 7.4950 7.5864 7.5866 7.7513 7.7540 8.0361 8.0409 8.2545 8.2602 8.3231 8.3609 8.3958 8.4027 8.5672 8.5963 8.8261 8.8389 8.9956 9.0032 9.1102 9.1331 9.1852 9.1941 9.2252 9.2458 10.2848 10.3047 k = 0.3750 0.2165 1.0601 ( 7682 PWs) bands (ev): -0.2241 -0.2224 -0.2035 -0.2016 4.0288 4.0293 4.6205 4.6238 5.1356 5.1567 5.5849 5.6351 5.8965 5.9256 6.1522 6.2145 6.4342 6.4348 7.4376 7.4463 7.4627 7.4758 7.5143 7.5336 7.5846 7.5854 7.7540 7.7564 8.0136 8.0181 8.2671 8.2732 8.3020 8.3331 8.3898 8.3922 8.5716 8.5975 8.8038 8.8146 9.0015 9.0082 9.0888 9.1110 9.1751 9.1940 9.2265 9.2368 10.3058 10.3234 k = 0.3958 0.2285 1.0601 ( 7678 PWs) bands (ev): -0.2244 -0.2228 -0.2030 -0.2014 4.0491 4.0495 4.5909 4.5937 5.1340 5.1529 5.6141 5.6632 5.8797 5.9023 6.1431 6.1998 6.4265 6.4270 7.4283 7.4356 7.4959 7.5078 7.5509 7.5690 7.5836 7.5852 7.7563 7.7586 7.9913 7.9955 8.2735 8.2762 8.2854 8.3011 8.3910 8.3923 8.5755 8.5973 8.7844 8.7931 9.0063 9.0134 9.0719 9.0911 9.1643 9.1878 9.2313 9.2350 10.3235 10.3386 k = 0.4167 0.2406 1.0601 ( 7670 PWs) bands (ev): -0.2246 -0.2233 -0.2025 -0.2012 4.0680 4.0684 4.5642 4.5665 5.1333 5.1492 5.6437 5.6902 5.8631 5.8778 6.1365 6.1854 6.4202 6.4206 7.4200 7.4260 7.5273 7.5362 7.5803 7.5821 7.5886 7.6033 7.7584 7.7603 7.9701 7.9739 8.2453 8.2608 8.2937 8.2951 8.3936 8.3960 8.5787 8.5959 8.7681 8.7748 9.0093 9.0179 9.0604 9.0746 9.1543 9.1770 9.2373 9.2384 10.3380 10.3503 k = 0.4375 0.2526 1.0601 ( 7670 PWs) bands (ev): -0.2247 -0.2237 -0.2021 -0.2011 4.0845 4.0849 4.5415 4.5433 5.1334 5.1458 5.6734 5.7157 5.8465 5.8526 6.1328 6.1717 6.4152 6.4155 7.4134 7.4181 7.5546 7.5572 7.5805 7.5904 7.6138 7.6297 7.7601 7.7616 7.9513 7.9545 8.2198 8.2327 8.3008 8.3031 8.3972 8.3997 8.5813 8.5939 8.7552 8.7599 9.0100 9.0202 9.0547 9.0628 9.1459 9.1650 9.2431 9.2433 10.3495 10.3588 k = 0.4583 0.2646 1.0601 ( 7674 PWs) bands (ev): -0.2247 -0.2240 -0.2018 -0.2011 4.0977 4.0980 4.5240 4.5253 5.1341 5.1426 5.7027 5.7387 5.8271 5.8297 6.1322 6.1592 6.4117 6.4119 7.4088 7.4120 7.5677 7.5710 7.5868 7.6002 7.6366 7.6491 7.7615 7.7626 7.9363 7.9386 8.2001 8.2091 8.3071 8.3089 8.4007 8.4025 8.5835 8.5916 8.7459 8.7489 9.0095 9.0191 9.0534 9.0569 9.1402 9.1539 9.2478 9.2478 10.3580 10.3643 k = 0.4792 0.2766 1.0601 ( 7676 PWs) bands (ev): -0.2246 -0.2243 -0.2015 -0.2011 4.1062 4.1064 4.5130 4.5137 5.1355 5.1398 5.7307 5.7562 5.8046 5.8130 6.1347 6.1486 6.4095 6.4096 7.4063 7.4079 7.5714 7.5734 7.6008 7.6085 7.6526 7.6596 7.7625 7.7631 7.9266 7.9279 8.1881 8.1928 8.3113 8.3122 8.4033 8.4042 8.5854 8.5893 8.7405 8.7419 9.0097 9.0154 9.0541 9.0553 9.1378 9.1450 9.2508 9.2508 10.3637 10.3668 k = 0.5000 0.2887 1.0601 ( 7672 PWs) bands (ev): -0.2245 -0.2245 -0.2013 -0.2013 4.1093 4.1093 4.5095 4.5095 5.1374 5.1374 5.7539 5.7539 5.7995 5.7995 6.1403 6.1403 6.4089 6.4089 7.4060 7.4060 7.5729 7.5729 7.6092 7.6092 7.6606 7.6606 7.7630 7.7630 7.9237 7.9237 8.1855 8.1855 8.3130 8.3130 8.4045 8.4045 8.5873 8.5873 8.7391 8.7391 9.0118 9.0118 9.0549 9.0549 9.1394 9.1394 9.2519 9.2519 10.3666 10.3666 k = 0.5000 0.2887 1.0601 ( 7672 PWs) bands (ev): -0.2245 -0.2245 -0.2013 -0.2013 4.1093 4.1093 4.5095 4.5095 5.1374 5.1374 5.7539 5.7539 5.7995 5.7995 6.1403 6.1403 6.4089 6.4089 7.4060 7.4060 7.5729 7.5729 7.6092 7.6092 7.6606 7.6606 7.7630 7.7630 7.9237 7.9237 8.1855 8.1855 8.3130 8.3130 8.4045 8.4045 8.5873 8.5873 8.7391 8.7391 9.0118 9.0118 9.0549 9.0549 9.1394 9.1394 9.2519 9.2519 10.3666 10.3666 k = 0.4881 0.3093 1.0601 ( 7672 PWs) bands (ev): -0.2244 -0.2244 -0.2014 -0.2014 4.1102 4.1102 4.5082 4.5082 5.1377 5.1377 5.7527 5.7527 5.8009 5.8009 6.1396 6.1396 6.4085 6.4085 7.4066 7.4066 7.5723 7.5723 7.6097 7.6097 7.6612 7.6612 7.7604 7.7604 7.9249 7.9249 8.1860 8.1860 8.3179 8.3179 8.4039 8.4039 8.5857 8.5857 8.7385 8.7385 9.0113 9.0113 9.0551 9.0551 9.1385 9.1385 9.2502 9.2502 10.3678 10.3678 k = 0.4762 0.3299 1.0601 ( 7680 PWs) bands (ev): -0.2242 -0.2242 -0.2016 -0.2016 4.1132 4.1132 4.5044 4.5044 5.1385 5.1385 5.7495 5.7495 5.8049 5.8049 6.1374 6.1374 6.4072 6.4072 7.4083 7.4083 7.5703 7.5703 7.6116 7.6116 7.6627 7.6627 7.7530 7.7530 7.9283 7.9283 8.1875 8.1875 8.3322 8.3322 8.4023 8.4023 8.5811 8.5811 8.7368 8.7368 9.0101 9.0101 9.0559 9.0559 9.1358 9.1358 9.2451 9.2451 10.3714 10.3714 k = 0.4643 0.3505 1.0601 ( 7682 PWs) bands (ev): -0.2238 -0.2238 -0.2020 -0.2020 4.1181 4.1181 4.4981 4.4981 5.1398 5.1398 5.7449 5.7449 5.8110 5.8110 6.1339 6.1339 6.4053 6.4053 7.4110 7.4110 7.5668 7.5668 7.6147 7.6147 7.6653 7.6653 7.7418 7.7418 7.9340 7.9340 8.1899 8.1899 8.3546 8.3546 8.3999 8.3999 8.5734 8.5734 8.7341 8.7341 9.0082 9.0082 9.0569 9.0569 9.1315 9.1315 9.2368 9.2368 10.3774 10.3774 k = 0.4524 0.3712 1.0601 ( 7694 PWs) bands (ev): -0.2233 -0.2233 -0.2025 -0.2025 4.1250 4.1250 4.4894 4.4894 5.1415 5.1415 5.7394 5.7394 5.8186 5.8186 6.1289 6.1289 6.4027 6.4027 7.4148 7.4148 7.5620 7.5620 7.6192 7.6192 7.6686 7.6686 7.7280 7.7280 7.9415 7.9415 8.1931 8.1931 8.3826 8.3826 8.3977 8.3977 8.5630 8.5630 8.7305 8.7305 9.0060 9.0060 9.0580 9.0580 9.1256 9.1256 9.2255 9.2255 10.3855 10.3855 k = 0.4405 0.3918 1.0601 ( 7694 PWs) bands (ev): -0.2226 -0.2226 -0.2032 -0.2032 4.1338 4.1338 4.4783 4.4783 5.1436 5.1436 5.7333 5.7333 5.8276 5.8276 6.1226 6.1226 6.3996 6.3996 7.4195 7.4195 7.5558 7.5558 7.6250 7.6250 7.6722 7.6722 7.7133 7.7133 7.9505 7.9505 8.1970 8.1970 8.3905 8.3905 8.4200 8.4200 8.5501 8.5501 8.7262 8.7262 9.0037 9.0037 9.0590 9.0590 9.1183 9.1183 9.2115 9.2115 10.3955 10.3955 k = 0.4286 0.4124 1.0601 ( 7686 PWs) bands (ev): -0.2218 -0.2218 -0.2040 -0.2040 4.1446 4.1446 4.4650 4.4650 5.1460 5.1460 5.7270 5.7270 5.8377 5.8377 6.1150 6.1150 6.3962 6.3962 7.4250 7.4250 7.5485 7.5485 7.6319 7.6319 7.6747 7.6747 7.7003 7.7003 7.9606 7.9606 8.2015 8.2015 8.3864 8.3864 8.4574 8.4574 8.5353 8.5353 8.7215 8.7215 9.0015 9.0015 9.0596 9.0596 9.1097 9.1097 9.1953 9.1953 10.4072 10.4072 k = 0.4167 0.4330 1.0601 ( 7682 PWs) bands (ev): -0.2209 -0.2209 -0.2049 -0.2049 4.1573 4.1573 4.4496 4.4496 5.1485 5.1485 5.7208 5.7208 5.8488 5.8488 6.1062 6.1062 6.3926 6.3926 7.4312 7.4312 7.5403 7.5403 7.6394 7.6394 7.6714 7.6714 7.6944 7.6944 7.9711 7.9711 8.2064 8.2064 8.3819 8.3819 8.4946 8.4946 8.5213 8.5213 8.7166 8.7166 8.9995 8.9995 9.0598 9.0598 9.0997 9.0997 9.1778 9.1778 10.4203 10.4203 k = 0.4048 0.4536 1.0601 ( 7682 PWs) bands (ev): -0.2199 -0.2199 -0.2059 -0.2059 4.1718 4.1718 4.4322 4.4322 5.1510 5.1510 5.7148 5.7148 5.8607 5.8607 6.0963 6.0963 6.3890 6.3890 7.4379 7.4379 7.5315 7.5315 7.6457 7.6457 7.6630 7.6630 7.6969 7.6969 7.9815 7.9815 8.2114 8.2114 8.3778 8.3778 8.4959 8.4959 8.5427 8.5427 8.7119 8.7119 8.9978 8.9978 9.0594 9.0594 9.0883 9.0883 9.1600 9.1600 10.4344 10.4344 k = 0.3929 0.4743 1.0601 ( 7682 PWs) bands (ev): -0.2188 -0.2188 -0.2070 -0.2070 4.1882 4.1882 4.4130 4.4130 5.1534 5.1534 5.7093 5.7093 5.8732 5.8732 6.0854 6.0854 6.3856 6.3856 7.4449 7.4449 7.5224 7.5224 7.6432 7.6432 7.6629 7.6629 7.7021 7.7021 7.9910 7.9910 8.2162 8.2162 8.3746 8.3746 8.4779 8.4779 8.5819 8.5819 8.7075 8.7075 8.9966 8.9966 9.0583 9.0583 9.0751 9.0751 9.1434 9.1434 10.4492 10.4492 k = 0.3810 0.4949 1.0601 ( 7690 PWs) bands (ev): -0.2177 -0.2177 -0.2082 -0.2082 4.2064 4.2064 4.3922 4.3922 5.1556 5.1556 5.7046 5.7046 5.8857 5.8857 6.0741 6.0741 6.3825 6.3825 7.4520 7.4520 7.5134 7.5134 7.6344 7.6344 7.6702 7.6702 7.7079 7.7079 7.9990 7.9990 8.2206 8.2206 8.3730 8.3730 8.4589 8.4589 8.6194 8.6194 8.7038 8.7038 8.9958 8.9958 9.0561 9.0561 9.0607 9.0607 9.1295 9.1295 10.4643 10.4643 k = 0.3690 0.5155 1.0601 ( 7694 PWs) bands (ev): -0.2165 -0.2165 -0.2094 -0.2094 4.2264 4.2264 4.3700 4.3700 5.1574 5.1574 5.7009 5.7009 5.8977 5.8977 6.0628 6.0628 6.3799 6.3799 7.4590 7.4590 7.5048 7.5048 7.6262 7.6262 7.6781 7.6781 7.7134 7.7134 8.0050 8.0050 8.2242 8.2242 8.3734 8.3734 8.4408 8.4408 8.6526 8.6526 8.7009 8.7009 8.9954 8.9954 9.0436 9.0436 9.0553 9.0553 9.1191 9.1191 10.4791 10.4791 k = 0.3571 0.5361 1.0601 ( 7692 PWs) bands (ev): -0.2153 -0.2153 -0.2106 -0.2106 4.2481 4.2481 4.3465 4.3465 5.1587 5.1587 5.6983 5.6983 5.9082 5.9082 6.0527 6.0527 6.3779 6.3779 7.4655 7.4655 7.4971 7.4971 7.6202 7.6202 7.6850 7.6850 7.7181 7.7181 8.0089 8.0089 8.2266 8.2266 8.3760 8.3760 8.4247 8.4247 8.6787 8.6787 8.6992 8.6992 8.9956 8.9956 9.0290 9.0290 9.0532 9.0532 9.1122 9.1122 10.4930 10.4931 k = 0.3452 0.5567 1.0601 ( 7688 PWs) bands (ev): -0.2141 -0.2141 -0.2118 -0.2118 4.2715 4.2715 4.3219 4.3219 5.1595 5.1595 5.6969 5.6969 5.9157 5.9157 6.0453 6.0453 6.3766 6.3766 7.4707 7.4707 7.4910 7.4910 7.6165 7.6165 7.6898 7.6898 7.7215 7.7215 8.0107 8.0107 8.2278 8.2278 8.3800 8.3800 8.4122 8.4122 8.6948 8.6948 8.6990 8.6990 8.9961 8.9961 9.0183 9.0183 9.0517 9.0517 9.1083 9.1083 10.5052 10.5053 k = 0.3333 0.5774 1.0601 ( 7704 PWs) bands (ev): -0.2130 -0.2130 -0.2129 -0.2129 4.2959 4.2959 4.2971 4.2971 5.1598 5.1598 5.6965 5.6965 5.9185 5.9185 6.0425 6.0425 6.3761 6.3761 7.4729 7.4729 7.4885 7.4885 7.6153 7.6153 7.6916 7.6916 7.7227 7.7227 8.0112 8.0112 8.2281 8.2281 8.3825 8.3825 8.4070 8.4070 8.6985 8.6985 8.7008 8.7008 8.9963 8.9963 9.0145 9.0145 9.0510 9.0510 9.1071 9.1071 10.5119 10.5126 k = 0.3333 0.5774 1.0601 ( 7704 PWs) bands (ev): -0.2130 -0.2130 -0.2129 -0.2129 4.2959 4.2959 4.2971 4.2971 5.1598 5.1598 5.6965 5.6965 5.9185 5.9185 6.0425 6.0425 6.3761 6.3761 7.4729 7.4729 7.4885 7.4885 7.6153 7.6153 7.6916 7.6916 7.7227 7.7227 8.0112 8.0112 8.2281 8.2281 8.3825 8.3825 8.4070 8.4070 8.6985 8.6985 8.7008 8.7008 8.9963 8.9963 9.0145 9.0145 9.0510 9.0510 9.1071 9.1071 10.5119 10.5120 k = 0.3214 0.5567 1.0601 ( 7692 PWs) bands (ev): -0.2141 -0.2141 -0.2118 -0.2118 4.2704 4.2704 4.3231 4.3231 5.1595 5.1595 5.6967 5.6967 5.9157 5.9157 6.0455 6.0455 6.3766 6.3766 7.4713 7.4713 7.4905 7.4905 7.6164 7.6164 7.6895 7.6895 7.7212 7.7212 8.0111 8.0111 8.2281 8.2281 8.3801 8.3801 8.4120 8.4120 8.6917 8.6917 8.7024 8.7024 8.9962 8.9962 9.0179 9.0179 9.0518 9.0518 9.1083 9.1083 10.5067 10.5069 k = 0.3095 0.5361 1.0601 ( 7684 PWs) bands (ev): -0.2152 -0.2152 -0.2107 -0.2107 4.2438 4.2438 4.3511 4.3511 5.1588 5.1588 5.6971 5.6971 5.9083 5.9083 6.0539 6.0539 6.3780 6.3780 7.4684 7.4684 7.4947 7.4947 7.6197 7.6197 7.6830 7.6830 7.7160 7.7160 8.0113 8.0113 8.2293 8.2293 8.3762 8.3762 8.4230 8.4230 8.6733 8.6733 8.7068 8.7068 8.9960 8.9960 9.0264 9.0264 9.0545 9.0545 9.1118 9.1118 10.4990 10.4991 k = 0.2976 0.5155 1.0601 ( 7692 PWs) bands (ev): -0.2162 -0.2162 -0.2097 -0.2097 4.2169 4.2169 4.3805 4.3805 5.1578 5.1578 5.6967 5.6967 5.8987 5.8987 6.0662 6.0662 6.3805 6.3805 7.4662 7.4662 7.4993 7.4993 7.6245 7.6245 7.6717 7.6717 7.7064 7.7064 8.0127 8.0127 8.2327 8.2327 8.3730 8.3730 8.4366 8.4366 8.6470 8.6470 8.7131 8.7131 8.9961 8.9961 9.0368 9.0368 9.0596 9.0596 9.1174 9.1174 10.4917 10.4917 k = 0.2857 0.4949 1.0601 ( 7680 PWs) bands (ev): -0.2171 -0.2171 -0.2088 -0.2088 4.1900 4.1900 4.4112 4.4112 5.1566 5.1566 5.6942 5.6942 5.8895 5.8895 6.0810 6.0810 6.3840 6.3840 7.4652 7.4652 7.5042 7.5042 7.6301 7.6301 7.6559 7.6559 7.6923 7.6923 8.0158 8.0158 8.2397 8.2397 8.3708 8.3708 8.4513 8.4513 8.6152 8.6152 8.7216 8.7216 8.9961 8.9961 9.0468 9.0468 9.0680 9.0680 9.1249 9.1249 10.4847 10.4847 k = 0.2738 0.4743 1.0601 ( 7664 PWs) bands (ev): -0.2179 -0.2179 -0.2079 -0.2079 4.1630 4.1630 4.4431 4.4431 5.1554 5.1554 5.6883 5.6883 5.8831 5.8831 6.0972 6.0972 6.3886 6.3886 7.4654 7.4654 7.5093 7.5093 7.6300 7.6300 7.6406 7.6406 7.6747 7.6747 8.0208 8.0208 8.2507 8.2507 8.3692 8.3692 8.4664 8.4664 8.5801 8.5801 8.7321 8.7321 8.9959 8.9959 9.0560 9.0560 9.0792 9.0792 9.1337 9.1337 10.4776 10.4776 k = 0.2619 0.4536 1.0601 ( 7658 PWs) bands (ev): -0.2186 -0.2186 -0.2072 -0.2072 4.1362 4.1362 4.4761 4.4761 5.1542 5.1542 5.6779 5.6779 5.8809 5.8809 6.1142 6.1142 6.3942 6.3942 7.4670 7.4670 7.5146 7.5146 7.6080 7.6080 7.6349 7.6349 7.6616 7.6616 8.0278 8.0278 8.2658 8.2658 8.3681 8.3681 8.4810 8.4810 8.5430 8.5430 8.7449 8.7449 8.9953 8.9953 9.0654 9.0654 9.0923 9.0923 9.1432 9.1432 10.4697 10.4697 k = 0.2500 0.4330 1.0601 ( 7670 PWs) bands (ev): -0.2192 -0.2192 -0.2066 -0.2066 4.1098 4.1098 4.5099 4.5099 5.1534 5.1534 5.6629 5.6629 5.8837 5.8837 6.1314 6.1314 6.4010 6.4010 7.4699 7.4699 7.5198 7.5198 7.5801 7.5801 7.6126 7.6126 7.6640 7.6640 8.0365 8.0365 8.2845 8.2845 8.3676 8.3676 8.4937 8.4937 8.5061 8.5061 8.7600 8.7600 8.9943 8.9943 9.0758 9.0758 9.1062 9.1062 9.1532 9.1532 10.4603 10.4607 k = 0.2381 0.4124 1.0601 ( 7666 PWs) bands (ev): -0.2197 -0.2197 -0.2061 -0.2061 4.0839 4.0839 4.5446 4.5446 5.1530 5.1530 5.6437 5.6437 5.8911 5.8911 6.1487 6.1487 6.4088 6.4088 7.4739 7.4739 7.5242 7.5242 7.5498 7.5498 7.5825 7.5825 7.6717 7.6717 8.0467 8.0467 8.3055 8.3055 8.3683 8.3683 8.4659 8.4659 8.5084 8.5084 8.7774 8.7774 8.9927 8.9927 9.0878 9.0878 9.1202 9.1202 9.1638 9.1638 10.4472 10.4476 k = 0.2262 0.3918 1.0601 ( 7668 PWs) bands (ev): -0.2201 -0.2201 -0.2057 -0.2057 4.0586 4.0586 4.5798 4.5798 5.1532 5.1532 5.6214 5.6214 5.9021 5.9021 6.1657 6.1657 6.4176 6.4176 7.4785 7.4785 7.5132 7.5132 7.5292 7.5292 7.5530 7.5530 7.6802 7.6802 8.0580 8.0580 8.3254 8.3254 8.3730 8.3730 8.4287 8.4287 8.5194 8.5194 8.7971 8.7971 8.9906 8.9906 9.1014 9.1014 9.1336 9.1336 9.1757 9.1757 10.4289 10.4290 k = 0.2143 0.3712 1.0601 ( 7676 PWs) bands (ev): -0.2204 -0.2204 -0.2055 -0.2055 4.0340 4.0340 4.6155 4.6155 5.1540 5.1540 5.5971 5.5971 5.9159 5.9159 6.1823 6.1823 6.4275 6.4275 7.4731 7.4731 7.4907 7.4907 7.5049 7.5049 7.5458 7.5458 7.6886 7.6886 8.0703 8.0703 8.3365 8.3365 8.3868 8.3868 8.3944 8.3944 8.5288 8.5288 8.8191 8.8191 8.9881 8.9881 9.1159 9.1159 9.1466 9.1466 9.1899 9.1899 10.4029 10.4030 k = 0.2024 0.3505 1.0601 ( 7684 PWs) bands (ev): -0.2205 -0.2205 -0.2053 -0.2053 4.0103 4.0103 4.6513 4.6513 5.1555 5.1555 5.5716 5.5716 5.9315 5.9315 6.1984 6.1984 6.4384 6.4384 7.4399 7.4399 7.4665 7.4665 7.4961 7.4961 7.5507 7.5507 7.6966 7.6966 8.0833 8.0833 8.3336 8.3336 8.3642 8.3642 8.4141 8.4141 8.5364 8.5364 8.8432 8.8432 8.9852 8.9852 9.1296 9.1296 9.1609 9.1609 9.2064 9.2064 10.3711 10.3711 k = 0.1905 0.3299 1.0601 ( 7682 PWs) bands (ev): -0.2206 -0.2206 -0.2053 -0.2053 3.9875 3.9875 4.6871 4.6871 5.1578 5.1578 5.5457 5.5457 5.9483 5.9483 6.2140 6.2140 6.4502 6.4502 7.4029 7.4029 7.4273 7.4273 7.5037 7.5037 7.5572 7.5572 7.7038 7.7038 8.0969 8.0969 8.3117 8.3117 8.3521 8.3521 8.4455 8.4455 8.5421 8.5421 8.8693 8.8693 8.9823 8.9823 9.1404 9.1404 9.1791 9.1791 9.2249 9.2249 10.3352 10.3352 k = 0.1786 0.3093 1.0601 ( 7680 PWs) bands (ev): -0.2205 -0.2205 -0.2053 -0.2053 3.9657 3.9657 4.7225 4.7225 5.1609 5.1609 5.5200 5.5200 5.9658 5.9658 6.2290 6.2290 6.4629 6.4629 7.3650 7.3650 7.3871 7.3871 7.5125 7.5125 7.5640 7.5640 7.7100 7.7100 8.1110 8.1110 8.2821 8.2821 8.3481 8.3481 8.4792 8.4792 8.5463 8.5463 8.8968 8.8968 8.9798 8.9798 9.1487 9.1487 9.2020 9.2020 9.2447 9.2447 10.2962 10.2962 k = 0.1667 0.2887 1.0601 ( 7678 PWs) bands (ev): -0.2204 -0.2204 -0.2055 -0.2055 3.9450 3.9450 4.7573 4.7573 5.1648 5.1648 5.4950 5.4950 5.9834 5.9834 6.2433 6.2433 6.4764 6.4764 7.3268 7.3268 7.3468 7.3468 7.5219 7.5219 7.5709 7.5709 7.7150 7.7150 8.1254 8.1254 8.2528 8.2528 8.3456 8.3456 8.5115 8.5115 8.5515 8.5515 8.9245 8.9245 8.9792 8.9792 9.1559 9.1559 9.2283 9.2283 9.2655 9.2655 10.2549 10.2550 k = 0.1548 0.2681 1.0601 ( 7690 PWs) bands (ev): -0.2202 -0.2202 -0.2057 -0.2057 3.9255 3.9255 4.7910 4.7910 5.1695 5.1695 5.4711 5.4711 6.0008 6.0008 6.2570 6.2570 6.4907 6.4907 7.2885 7.2885 7.3070 7.3070 7.5317 7.5317 7.5776 7.5776 7.7187 7.7187 8.1401 8.1401 8.2253 8.2253 8.3434 8.3434 8.5304 8.5304 8.5690 8.5690 8.9464 8.9464 8.9862 8.9862 9.1636 9.1636 9.2567 9.2567 9.2874 9.2874 10.2118 10.2119 k = 0.1429 0.2474 1.0601 ( 7710 PWs) bands (ev): -0.2199 -0.2199 -0.2059 -0.2059 3.9072 3.9072 4.8233 4.8233 5.1750 5.1750 5.4486 5.4486 6.0176 6.0176 6.2701 6.2701 6.5057 6.5057 7.2504 7.2504 7.2680 7.2680 7.5416 7.5416 7.5841 7.5841 7.7210 7.7210 8.1551 8.1551 8.2001 8.2001 8.3415 8.3415 8.5320 8.5320 8.6023 8.6023 8.9541 8.9541 9.0095 9.0095 9.1727 9.1727 9.2852 9.2852 9.3118 9.3118 10.1671 10.1671 k = 0.1310 0.2268 1.0601 ( 7690 PWs) bands (ev): -0.2196 -0.2196 -0.2062 -0.2062 3.8902 3.8902 4.8537 4.8537 5.1813 5.1813 5.4279 5.4279 6.0336 6.0336 6.2825 6.2825 6.5213 6.5213 7.2130 7.2130 7.2303 7.2303 7.5514 7.5514 7.5904 7.5904 7.7221 7.7221 8.1702 8.1702 8.1773 8.1773 8.3399 8.3399 8.5276 8.5276 8.6397 8.6397 8.9540 8.9540 9.0424 9.0424 9.1838 9.1838 9.3107 9.3107 9.3410 9.3410 10.1212 10.1214 k = 0.1190 0.2062 1.0601 ( 7694 PWs) bands (ev): -0.2193 -0.2193 -0.2065 -0.2065 3.8745 3.8745 4.8817 4.8817 5.1884 5.1884 5.4093 5.4093 6.0486 6.0486 6.2942 6.2942 6.5375 6.5375 7.1765 7.1765 7.1939 7.1939 7.5610 7.5610 7.5962 7.5962 7.7220 7.7220 8.1567 8.1567 8.1860 8.1860 8.3386 8.3386 8.5203 8.5203 8.6778 8.6778 8.9522 8.9522 9.0790 9.0790 9.1975 9.1975 9.3325 9.3325 9.3752 9.3752 10.0742 10.0742 k = 0.1071 0.1856 1.0601 ( 7694 PWs) bands (ev): -0.2190 -0.2190 -0.2068 -0.2068 3.8602 3.8602 4.9071 4.9071 5.1962 5.1962 5.3928 5.3928 6.0623 6.0623 6.3052 6.3052 6.5540 6.5540 7.1416 7.1416 7.1591 7.1591 7.5701 7.5701 7.6017 7.6017 7.7209 7.7209 8.1385 8.1385 8.2017 8.2017 8.3376 8.3376 8.5108 8.5108 8.7153 8.7153 8.9501 8.9501 9.1175 9.1175 9.2143 9.2143 9.3522 9.3522 9.4127 9.4127 10.0264 10.0265 k = 0.0952 0.1650 1.0601 ( 7694 PWs) bands (ev): -0.2188 -0.2188 -0.2071 -0.2071 3.8474 3.8474 4.9293 4.9293 5.2046 5.2046 5.3787 5.3787 6.0746 6.0746 6.3153 6.3153 6.5707 6.5707 7.1086 7.1086 7.1261 7.1261 7.5785 7.5785 7.6067 7.6067 7.7191 7.7191 8.1226 8.1226 8.2178 8.2178 8.3368 8.3368 8.4995 8.4995 8.7515 8.7515 8.9484 8.9484 9.1573 9.1573 9.2343 9.2343 9.3706 9.3706 9.4520 9.4520 9.9783 9.9809 k = 0.0833 0.1443 1.0601 ( 7700 PWs) bands (ev): -0.2185 -0.2185 -0.2073 -0.2073 3.8359 3.8359 4.9482 4.9482 5.2134 5.2134 5.3670 5.3670 6.0855 6.0855 6.3247 6.3247 6.5873 6.5873 7.0780 7.0780 7.0950 7.0950 7.5861 7.5861 7.6114 7.6114 7.7168 7.7168 8.1088 8.1088 8.2340 8.2340 8.3364 8.3364 8.4867 8.4867 8.7854 8.7854 8.9474 8.9474 9.1977 9.1977 9.2578 9.2578 9.3883 9.3883 9.4923 9.4923 9.9285 9.9290 k = 0.0714 0.1237 1.0601 ( 7700 PWs) bands (ev): -0.2183 -0.2183 -0.2076 -0.2076 3.8260 3.8260 4.9637 4.9637 5.2225 5.2225 5.3575 5.3575 6.0949 6.0949 6.3331 6.3331 6.6037 6.6037 7.0503 7.0503 7.0662 7.0662 7.5927 7.5927 7.6156 7.6156 7.7143 7.7143 8.0969 8.0969 8.2503 8.2503 8.3362 8.3362 8.4727 8.4727 8.8162 8.8162 8.9475 8.9475 9.2380 9.2380 9.2849 9.2849 9.4057 9.4057 9.5326 9.5326 9.8788 9.8788 k = 0.0595 0.1031 1.0601 ( 7712 PWs) bands (ev): -0.2181 -0.2181 -0.2077 -0.2077 3.8175 3.8175 4.9760 4.9760 5.2313 5.2313 5.3502 5.3502 6.1028 6.1028 6.3404 6.3404 6.6194 6.6194 7.0259 7.0259 7.0401 7.0401 7.5981 7.5981 7.6195 7.6195 7.7118 7.7118 8.0870 8.0870 8.2666 8.2666 8.3365 8.3365 8.4576 8.4576 8.8426 8.8426 8.9491 8.9491 9.2771 9.2771 9.3160 9.3160 9.4230 9.4230 9.5721 9.5721 9.8293 9.8293 k = 0.0476 0.0825 1.0601 ( 7708 PWs) bands (ev): -0.2180 -0.2180 -0.2079 -0.2079 3.8106 3.8106 4.9852 4.9852 5.2393 5.2393 5.3449 5.3449 6.1092 6.1092 6.3465 6.3465 6.6339 6.6339 7.0053 7.0053 7.0171 7.0171 7.6023 7.6023 7.6229 7.6229 7.7097 7.7097 8.0788 8.0788 8.2825 8.2825 8.3373 8.3373 8.4420 8.4420 8.8636 8.8636 8.9528 8.9528 9.3136 9.3136 9.3508 9.3508 9.4403 9.4403 9.6092 9.6092 9.7803 9.7803 k = 0.0357 0.0619 1.0601 ( 7720 PWs) bands (ev): -0.2179 -0.2179 -0.2080 -0.2080 3.8052 3.8052 4.9918 4.9918 5.2461 5.2461 5.3412 5.3412 6.1142 6.1142 6.3514 6.3514 6.6465 6.6465 6.9886 6.9886 6.9981 6.9981 7.6054 7.6054 7.6258 7.6258 7.7079 7.7079 8.0725 8.0725 8.2972 8.2972 8.3392 8.3392 8.4260 8.4260 8.8783 8.8783 8.9581 8.9581 9.3462 9.3462 9.3880 9.3880 9.4570 9.4570 9.6418 9.6418 9.7333 9.7333 k = 0.0238 0.0412 1.0601 ( 7712 PWs) bands (ev): -0.2178 -0.2178 -0.2080 -0.2080 3.8013 3.8013 4.9962 4.9962 5.2513 5.2513 5.3388 5.3388 6.1177 6.1177 6.3550 6.3550 6.6564 6.6564 6.9762 6.9762 6.9838 6.9838 7.6074 7.6074 7.6280 7.6280 7.7065 7.7065 8.0679 8.0679 8.3092 8.3092 8.3431 8.3431 8.4106 8.4106 8.8874 8.8874 8.9641 8.9641 9.3735 9.3735 9.4246 9.4246 9.4719 9.4719 9.6644 9.6644 9.6926 9.6926 k = 0.0119 0.0206 1.0601 ( 7720 PWs) bands (ev): -0.2178 -0.2178 -0.2081 -0.2081 3.7990 3.7990 4.9986 4.9986 5.2546 5.2546 5.3376 5.3376 6.1198 6.1198 6.3572 6.3572 6.6628 6.6628 6.9683 6.9683 6.9751 6.9751 7.6086 7.6086 7.6294 7.6294 7.7057 7.7057 8.0652 8.0652 8.3165 8.3165 8.3494 8.3494 8.3972 8.3972 8.8921 8.8921 8.9687 8.9687 9.3925 9.3925 9.4551 9.4551 9.4824 9.4824 9.6514 9.6514 9.6840 9.6840 k = 0.0000 0.0000 1.0601 ( 7708 PWs) bands (ev): -0.2177 -0.2177 -0.2081 -0.2081 3.7982 3.7982 4.9994 4.9994 5.2557 5.2557 5.3372 5.3372 6.1205 6.1205 6.3579 6.3579 6.6651 6.6651 6.9656 6.9656 6.9722 6.9722 7.6090 7.6090 7.6299 7.6299 7.7055 7.7055 8.0643 8.0643 8.3187 8.3187 8.3534 8.3534 8.3910 8.3910 8.8935 8.8935 8.9704 8.9704 9.3994 9.3994 9.4685 9.4685 9.4860 9.4860 9.6384 9.6384 9.6843 9.6843 k = 0.5000 0.2887 1.0601 ( 7672 PWs) bands (ev): -0.2245 -0.2245 -0.2013 -0.2013 4.1093 4.1093 4.5095 4.5095 5.1374 5.1374 5.7539 5.7539 5.7995 5.7995 6.1403 6.1403 6.4089 6.4089 7.4060 7.4060 7.5729 7.5729 7.6092 7.6092 7.6606 7.6606 7.7630 7.7630 7.9237 7.9237 8.1855 8.1855 8.3130 8.3130 8.4045 8.4045 8.5873 8.5873 8.7391 8.7391 9.0118 9.0118 9.0549 9.0549 9.1394 9.1394 9.2519 9.2519 10.3666 10.3666 k = 0.5000 0.2887 1.0355 ( 7668 PWs) bands (ev): -0.2263 -0.2259 -0.2038 -0.2035 4.1116 4.1157 4.5051 4.5186 5.1303 5.1441 5.7518 5.7546 5.7953 5.7970 6.1383 6.1406 6.4076 6.4116 7.4050 7.4064 7.5688 7.5750 7.6069 7.6123 7.6604 7.6612 7.7631 7.7637 7.9242 7.9249 8.1857 8.1863 8.3075 8.3127 8.4054 8.4059 8.5871 8.5907 8.7398 8.7403 9.0042 9.0118 9.0521 9.0607 9.1379 9.1398 9.2525 9.2618 10.3634 10.3659 k = 0.5000 0.2887 1.0108 ( 7674 PWs) bands (ev): -0.2314 -0.2306 -0.2111 -0.2104 4.1228 4.1308 4.5054 4.5325 5.1227 5.1504 5.7484 5.7530 5.7855 5.7881 6.1346 6.1396 6.4076 6.4154 7.4032 7.4060 7.5633 7.5747 7.6061 7.6159 7.6606 7.6621 7.7639 7.7651 7.9260 7.9273 8.1869 8.1881 8.2974 8.3072 8.4079 8.4092 8.5901 8.5975 8.7426 8.7435 8.9909 9.0052 9.0527 9.0674 9.1363 9.1381 9.2641 9.2812 10.3564 10.3615 k = 0.5000 0.2887 0.9862 ( 7682 PWs) bands (ev): -0.2396 -0.2385 -0.2230 -0.2220 4.1424 4.1546 4.5099 4.5510 5.1147 5.1565 5.7420 5.7450 5.7743 5.7745 6.1295 6.1379 6.4088 6.4200 7.4009 7.4051 7.5564 7.5717 7.6070 7.6200 7.6611 7.6633 7.7659 7.7676 7.9281 7.9301 8.1890 8.1908 8.2845 8.2984 8.4110 8.4133 8.5959 8.6070 8.7473 8.7487 8.9748 8.9935 9.0561 9.0742 9.1339 9.1342 9.2857 9.3081 10.3458 10.3534 k = 0.5000 0.2887 0.9615 ( 7666 PWs) bands (ev): -0.2510 -0.2495 -0.2393 -0.2379 4.1705 4.1868 4.5181 4.5737 5.1068 5.1628 5.7242 5.7280 5.7608 5.7687 6.1233 6.1361 6.4107 6.4246 7.3980 7.4036 7.5486 7.5666 7.6093 7.6244 7.6618 7.6646 7.7692 7.7715 7.9292 7.9319 8.1919 8.1945 8.2712 8.2884 8.4141 8.4173 8.6040 8.6189 8.7542 8.7558 8.9574 8.9784 9.0618 9.0812 9.1280 9.1316 9.3156 9.3409 10.3320 10.3421 k = 0.5000 0.2887 0.9369 ( 7670 PWs) bands (ev): -0.2654 -0.2636 -0.2596 -0.2580 4.2065 4.2270 4.5294 4.6000 5.0995 5.1695 5.6926 5.7021 5.7521 5.7666 6.1167 6.1346 6.4126 6.4290 7.3947 7.4019 7.5400 7.5599 7.6126 7.6292 7.6627 7.6660 7.7741 7.7771 7.9276 7.9309 8.1955 8.1989 8.2593 8.2793 8.4167 8.4208 8.6136 8.6322 8.7632 8.7649 8.9395 8.9610 9.0694 9.0882 9.1211 9.1291 9.3519 9.3779 10.3154 10.3279 k = 0.5000 0.2887 0.9122 ( 7670 PWs) bands (ev): -0.2851 -0.2832 -0.2814 -0.2793 4.2501 4.2750 4.5429 4.6287 5.0938 5.1773 5.6534 5.6677 5.7462 5.7655 6.1101 6.1337 6.4142 6.4325 7.3912 7.4000 7.5307 7.5523 7.6164 7.6343 7.6635 7.6673 7.7807 7.7843 7.9220 7.9261 8.1999 8.2040 8.2503 8.2728 8.4189 8.4236 8.6238 8.6458 8.7746 8.7762 8.9211 8.9421 9.0789 9.0942 9.1146 9.1288 9.3927 9.4181 10.2963 10.3113 k = 0.5000 0.2887 0.8876 ( 7670 PWs) bands (ev): -0.3127 -0.3105 -0.3014 -0.2990 4.3007 4.3302 4.5575 4.6583 5.0911 5.1863 5.6082 5.6278 5.7408 5.7645 6.1036 6.1337 6.4150 6.4348 7.3876 7.3980 7.5212 7.5442 7.6205 7.6398 7.6643 7.6686 7.7884 7.7928 7.9122 7.9168 8.2047 8.2095 8.2451 8.2696 8.4210 8.4260 8.6334 8.6584 8.7882 8.7898 8.9025 8.9223 9.0897 9.0982 9.1100 9.1329 9.4367 9.4604 10.2754 10.2929 k = 0.5000 0.2887 0.8629 ( 7676 PWs) bands (ev): -0.3439 -0.3415 -0.3235 -0.3208 4.3577 4.3921 4.5723 4.6867 5.0934 5.1967 5.5578 5.5850 5.7353 5.7633 6.0975 6.1346 6.4147 6.4358 7.3839 7.3961 7.5118 7.5359 7.6246 7.6455 7.6650 7.6698 7.7961 7.8015 7.8991 7.9041 8.2100 8.2153 8.2436 8.2696 8.4232 8.4283 8.6416 8.6688 8.8041 8.8055 8.8834 8.9017 9.0999 9.1009 9.1107 9.1419 9.4826 9.5041 10.2531 10.2730 k = 0.5000 0.2887 0.8383 ( 7668 PWs) bands (ev): -0.3780 -0.3754 -0.3477 -0.3448 4.4201 4.4597 4.5863 4.7113 5.1034 5.2079 5.5030 5.5418 5.7293 5.7618 6.0919 6.1363 6.4131 6.4353 7.3802 7.3943 7.5026 7.5279 7.6284 7.6511 7.6654 7.6710 7.8004 7.8076 7.8867 7.8914 8.2153 8.2208 8.2449 8.2722 8.4259 8.4309 8.6478 8.6761 8.8219 8.8233 8.8640 8.8807 9.1050 9.1058 9.1215 9.1543 9.5296 9.5484 10.2299 10.2522 k = 0.5000 0.2887 0.8136 ( 7678 PWs) bands (ev): -0.4145 -0.4119 -0.3739 -0.3708 4.4858 4.5317 4.5999 4.7301 5.1237 5.2175 5.4448 5.5026 5.7227 5.7600 6.0869 6.1391 6.4099 6.4331 7.3764 7.3925 7.4941 7.5205 7.6315 7.6559 7.6661 7.6721 7.7955 7.8051 7.8819 7.8857 8.2202 8.2256 8.2479 8.2760 8.4294 8.4342 8.6516 8.6801 8.8403 8.8406 8.8465 8.8600 9.1124 9.1137 9.1371 9.1690 9.5769 9.5928 10.2064 10.2310 k = 0.5000 0.2887 0.7889 ( 7674 PWs) bands (ev): -0.4532 -0.4505 -0.4017 -0.3985 4.5475 4.6045 4.6184 4.7443 5.1558 5.2201 5.3837 5.4742 5.7154 5.7578 6.0824 6.1428 6.4052 6.4293 7.3724 7.3908 7.4865 7.5140 7.6334 7.6577 7.6686 7.6733 7.7785 7.7900 7.8885 7.8918 8.2240 8.2292 8.2516 8.2802 8.4337 8.4386 8.6536 8.6811 8.8237 8.8366 8.8628 8.8634 9.1245 9.1270 9.1546 9.1855 9.6237 9.6364 10.1831 10.2099 k = 0.5000 0.2887 0.7643 ( 7686 PWs) bands (ev): -0.4937 -0.4909 -0.4310 -0.4277 4.5806 4.6646 4.6646 4.7662 5.1996 5.2086 5.3205 5.4653 5.7075 5.7553 6.0786 6.1476 6.3989 6.4238 7.3681 7.3888 7.4799 7.5085 7.6335 7.6560 7.6732 7.6746 7.7538 7.7666 7.9032 7.9069 8.2259 8.2307 8.2553 8.2839 8.4387 8.4441 8.6546 8.6803 8.8042 8.8162 8.8828 8.8837 9.1416 9.1461 9.1736 9.2034 9.6694 9.6788 10.1605 10.1895 k = 0.5000 0.2887 0.7396 ( 7668 PWs) bands (ev): -0.5356 -0.5327 -0.4616 -0.4581 4.5863 4.6856 4.7357 4.8229 5.1807 5.2499 5.2594 5.4794 5.6992 5.7529 6.0756 6.1535 6.3910 6.4168 7.3631 7.3863 7.4747 7.5044 7.6314 7.6517 7.6757 7.6783 7.7262 7.7398 7.9224 7.9266 8.2251 8.2294 8.2586 8.2867 8.4442 8.4503 8.6560 8.6793 8.7853 8.7966 8.9030 8.9039 9.1635 9.1704 9.1941 9.2227 9.7133 9.7192 10.1390 10.1701 k = 0.5000 0.2887 0.7150 ( 7658 PWs) bands (ev): -0.5785 -0.5756 -0.4932 -0.4896 4.5815 4.6777 4.8110 4.9047 5.1431 5.1895 5.3161 5.5119 5.6910 5.7510 6.0735 6.1609 6.3816 6.4084 7.3570 7.3829 7.4709 7.5018 7.6266 7.6452 7.6749 7.6830 7.6998 7.7123 7.9442 7.9491 8.2208 8.2248 8.2617 8.2888 8.4493 8.4566 8.6590 8.6797 8.7681 8.7790 8.9227 8.9236 9.1896 9.1985 9.2166 9.2434 9.7547 9.7571 10.1193 10.1523 k = 0.5000 0.2887 0.6903 ( 7662 PWs) bands (ev): -0.6222 -0.6193 -0.5255 -0.5219 4.5707 4.6582 4.8779 4.9941 5.1094 5.1235 5.3841 5.5551 5.6848 5.7502 6.0727 6.1700 6.3709 6.3989 7.3492 7.3779 7.4687 7.5007 7.6191 7.6363 7.6620 7.6836 7.6863 7.6893 7.9673 7.9731 8.2126 8.2164 8.2647 8.2906 8.4532 8.4619 8.6650 8.6830 8.7536 8.7644 8.9417 8.9426 9.2188 9.2268 9.2434 9.2658 9.7920 9.7931 10.1019 10.1366 k = 0.5000 0.2887 0.6657 ( 7658 PWs) bands (ev): -0.6663 -0.6635 -0.5584 -0.5548 4.5552 4.6326 4.9111 5.0532 5.0899 5.1068 5.4559 5.5978 5.6875 5.7520 6.0735 6.1810 6.3590 6.3886 7.3393 7.3706 7.4683 7.5013 7.6087 7.6248 7.6391 7.6612 7.6846 7.6906 7.9910 7.9978 8.2003 8.2042 8.2683 8.2927 8.4549 8.4653 8.6747 8.6901 8.7431 8.7540 8.9599 8.9608 9.2494 9.2522 9.2767 9.2902 9.8232 9.8278 10.0871 10.1233 k = 0.5000 0.2887 0.6410 ( 7670 PWs) bands (ev): -0.7106 -0.7078 -0.5917 -0.5881 4.5358 4.6029 4.8923 4.9895 5.1542 5.1777 5.5293 5.6188 5.7176 5.7586 6.0767 6.1946 6.3464 6.3781 7.3265 7.3602 7.4697 7.5034 7.5957 7.6105 7.6179 7.6405 7.6839 7.6921 8.0142 8.0223 8.1841 8.1886 8.2732 8.2957 8.4538 8.4656 8.6884 8.7015 8.7378 8.7489 8.9772 8.9781 9.2760 9.2796 9.3141 9.3179 9.8505 9.8586 10.0756 10.1130 k = 0.5000 0.2887 0.6164 ( 7658 PWs) bands (ev): -0.7549 -0.7521 -0.6251 -0.6215 4.5130 4.5701 4.8461 4.9243 5.2266 5.2621 5.6014 5.6174 5.7737 5.7742 6.0835 6.2112 6.3336 6.3684 7.3106 7.3459 7.4729 7.5067 7.5805 7.5933 7.6009 7.6238 7.6821 7.6919 8.0361 8.0457 8.1647 8.1703 8.2798 8.3003 8.4495 8.4624 8.7060 8.7169 8.7388 8.7498 8.9937 8.9946 9.2994 9.3077 9.3496 9.3535 9.8737 9.8850 10.0676 10.1059 k = 0.5000 0.2887 0.5917 ( 7662 PWs) bands (ev): -0.7988 -0.7961 -0.6585 -0.6549 4.4873 4.5351 4.7912 4.8600 5.3041 5.3354 5.6092 5.6689 5.8019 5.8400 6.0957 6.2314 6.3215 6.3610 7.2914 7.3276 7.4779 7.5103 7.5640 7.5732 7.5888 7.6115 7.6786 7.6897 8.0557 8.0673 8.1431 8.1502 8.2885 8.3071 8.4426 8.4560 8.7269 8.7356 8.7467 8.7567 9.0097 9.0103 9.3229 9.3337 9.3847 9.3939 9.8927 9.9069 10.0635 10.1022 k = 0.5000 0.2887 0.5671 ( 7672 PWs) bands (ev): -0.8422 -0.8396 -0.6916 -0.6882 4.4591 4.4982 4.7336 4.7973 5.3775 5.3916 5.6013 5.7303 5.8454 5.9071 6.1162 6.2557 6.3115 6.3585 7.2691 7.3055 7.4846 7.5103 7.5499 7.5503 7.5819 7.6035 7.6732 7.6852 8.0720 8.0860 8.1202 8.1297 8.2991 8.3161 8.4346 8.4474 8.7501 8.7549 8.7626 8.7693 9.0255 9.0255 9.3465 9.3584 9.4217 9.4347 9.9079 9.9247 10.0633 10.1023 k = 0.5000 0.2887 0.5424 ( 7670 PWs) bands (ev): -0.8849 -0.8824 -0.7245 -0.7211 4.4288 4.4598 4.6759 4.7363 5.4278 5.4384 5.6000 5.7859 5.8995 5.9700 6.1489 6.2844 6.3065 6.3654 7.2444 7.2805 7.4930 7.4985 7.5248 7.5468 7.5797 7.5996 7.6657 7.6782 8.0829 8.0970 8.1014 8.1113 8.3100 8.3265 8.4277 8.4386 8.7745 8.7749 8.7850 8.7873 9.0410 9.0418 9.3703 9.3826 9.4599 9.4755 9.9200 9.9388 10.0668 10.1060 k = 0.5000 0.2887 0.5177 ( 7660 PWs) bands (ev): -0.9267 -0.9243 -0.7567 -0.7534 4.3966 4.4202 4.6190 4.6774 5.4461 5.4745 5.6157 5.8325 5.9566 6.0224 6.1961 6.3114 6.3186 6.3870 7.2179 7.2535 7.4761 7.4966 7.5032 7.5534 7.5813 7.5991 7.6561 7.6687 8.0745 8.0795 8.1049 8.1132 8.3182 8.3361 8.4255 8.4327 8.7980 8.7983 8.8089 8.8101 9.0575 9.0593 9.3943 9.4064 9.4984 9.5160 9.9298 9.9499 10.0738 10.1133 k = 0.5000 0.2887 0.4931 ( 7654 PWs) bands (ev): -0.9675 -0.9651 -0.7884 -0.7851 4.3629 4.3798 4.5640 4.6208 5.4513 5.4825 5.6502 5.8659 6.0080 6.0582 6.2574 6.3342 6.3621 6.4254 7.1906 7.2257 7.4489 7.4668 7.5141 7.5636 7.5860 7.6017 7.6452 7.6568 8.0533 8.0638 8.1092 8.1217 8.3202 8.3408 8.4314 8.4338 8.8201 8.8240 8.8325 8.8369 9.0764 9.0795 9.4186 9.4304 9.5370 9.5561 9.9382 9.9589 10.0841 10.1239 k = 0.5000 0.2887 0.4684 ( 7652 PWs) bands (ev): -1.0070 -1.0047 -0.8192 -0.8161 4.3277 4.3388 4.5114 4.5669 5.4480 5.4746 5.6905 5.8866 6.0429 6.0756 6.3310 6.3813 6.4183 6.4783 7.1633 7.1982 7.4193 7.4352 7.5258 7.5734 7.5933 7.6067 7.6351 7.6434 8.0338 8.0474 8.1134 8.1273 8.3151 8.3381 8.4439 8.4459 8.8387 8.8475 8.8588 8.8670 9.0990 9.1034 9.4434 9.4546 9.5757 9.5958 9.9461 9.9667 10.0972 10.1376 k = 0.5000 0.2887 0.4438 ( 7650 PWs) bands (ev): -1.0452 -1.0430 -0.8491 -0.8461 4.2913 4.2974 4.4615 4.5156 5.4392 5.4602 5.7273 5.8979 6.0580 6.0787 6.4167 6.4483 6.4849 6.5419 7.1371 7.1722 7.3885 7.4024 7.5371 7.5769 7.6033 7.6127 7.6311 7.6314 8.0163 8.0326 8.1160 8.1306 8.3052 8.3296 8.4608 8.4661 8.8525 8.8632 8.8913 8.9001 9.1265 9.1320 9.4689 9.4794 9.6143 9.6352 9.9543 9.9744 10.1127 10.1540 k = 0.5000 0.2887 0.4191 ( 7648 PWs) bands (ev): -1.0819 -1.0799 -0.8779 -0.8751 4.2538 4.2561 4.4149 4.4672 5.4269 5.4430 5.7577 5.9029 6.0589 6.0729 6.5115 6.5257 6.5562 6.6136 7.1133 7.1490 7.3573 7.3690 7.5449 7.5692 7.6127 7.6149 7.6302 7.6400 8.0009 8.0197 8.1171 8.1320 8.2928 8.3179 8.4811 8.4891 8.8611 8.8727 8.9273 8.9360 9.1594 9.1657 9.4953 9.5049 9.6529 9.6742 9.9635 9.9826 10.1305 10.1726 k = 0.5000 0.2887 0.3945 ( 7658 PWs) bands (ev): -1.1170 -1.1151 -0.9056 -0.9029 4.2151 4.2157 4.3715 4.4216 5.4124 5.4245 5.7815 5.9037 6.0521 6.0621 6.5984 6.6178 6.6263 6.6907 7.0938 7.1304 7.3267 7.3357 7.5443 7.5543 7.6118 7.6276 7.6412 7.6578 7.9874 8.0090 8.1168 8.1318 8.2793 8.3050 8.5023 8.5127 8.8645 8.8767 8.9657 8.9742 9.1973 9.2040 9.5227 9.5314 9.6916 9.7130 9.9744 9.9922 10.1503 10.1933 k = 0.5000 0.2887 0.3698 ( 7656 PWs) bands (ev): -1.1505 -1.1487 -0.9321 -0.9295 4.1748 4.1774 4.3315 4.3788 5.3966 5.4056 5.7992 5.9012 6.0415 6.0487 6.6713 6.6895 6.7203 6.7708 7.0816 7.1186 7.2981 7.3032 7.5340 7.5372 7.6200 7.6418 7.6568 7.6808 7.9757 8.0005 8.1153 8.1305 8.2654 8.2916 8.5229 8.5357 8.8634 8.8761 9.0060 9.0143 9.2394 9.2461 9.5516 9.5593 9.7302 9.7515 9.9873 10.0038 10.1718 10.2157 k = 0.5000 0.2887 0.3452 ( 7656 PWs) bands (ev): -1.1821 -1.1805 -0.9572 -0.9548 4.1355 4.1393 4.2946 4.3389 5.3800 5.3866 5.8116 5.8962 6.0297 6.0344 6.7314 6.7403 6.8215 6.8507 7.0808 7.1155 7.2731 7.2741 7.5190 7.5203 7.6339 7.6577 7.6764 7.7074 7.9656 7.9944 8.1127 8.1282 8.2517 8.2784 8.5417 8.5572 8.8584 8.8717 9.0477 9.0558 9.2848 9.2910 9.5821 9.5888 9.7686 9.7896 10.0028 10.0178 10.1950 10.2397 k = 0.5000 0.2887 0.3205 ( 7660 PWs) bands (ev): -1.2120 -1.2104 -0.9809 -0.9787 4.0976 4.1020 4.2609 4.3017 5.3632 5.3679 5.8195 5.8890 6.0178 6.0203 6.7729 6.7746 6.9172 6.9271 7.0941 7.1192 7.2484 7.2601 7.5041 7.5055 7.6503 7.6753 7.7010 7.7371 7.9571 7.9909 8.1093 8.1252 8.2383 8.2655 8.5582 8.5762 8.8502 8.8641 9.0903 9.0982 9.3323 9.3379 9.6145 9.6201 9.8066 9.8270 10.0212 10.0347 10.2199 10.2652 k = 0.5000 0.2887 0.2959 ( 7660 PWs) bands (ev): -1.2398 -1.2384 -1.0032 -1.0011 4.0614 4.0660 4.2299 4.2672 5.3465 5.3498 5.8236 5.8802 6.0067 6.0070 6.7919 6.7933 6.9965 7.0034 7.1143 7.1208 7.2379 7.2651 7.4924 7.4944 7.6678 7.6949 7.7316 7.7690 7.9501 7.9910 8.1052 8.1217 8.2256 8.2532 8.5718 8.5925 8.8395 8.8539 9.1330 9.1408 9.3813 9.3860 9.6490 9.6536 9.8436 9.8634 10.0428 10.0546 10.2467 10.2925 k = 0.5000 0.2887 0.2712 ( 7660 PWs) bands (ev): -1.2657 -1.2644 -1.0239 -1.0219 4.0273 4.0317 4.2017 4.2354 5.3302 5.3324 5.8245 5.8700 5.9949 5.9967 6.7956 6.7974 7.0548 7.0761 7.1132 7.1202 7.2575 7.2928 7.4867 7.4887 7.6863 7.7170 7.7691 7.8019 7.9447 7.9964 8.1006 8.1178 8.2137 8.2416 8.5822 8.6056 8.8265 8.8417 9.1753 9.1829 9.4309 9.4345 9.6857 9.6893 9.8791 9.8982 10.0678 10.0779 10.2755 10.3217 k = 0.5000 0.2887 0.2465 ( 7664 PWs) bands (ev): -1.2895 -1.2883 -1.0429 -1.0411 3.9954 3.9995 4.1761 4.2063 5.3146 5.3160 5.8228 5.8589 5.9845 5.9879 6.7907 6.7918 7.0848 7.1053 7.1136 7.1340 7.3031 7.3347 7.4890 7.4895 7.7060 7.7420 7.8141 7.8329 7.9416 8.0099 8.0956 8.1139 8.2030 8.2310 8.5893 8.6151 8.8116 8.8276 9.2165 9.2239 9.4806 9.4829 9.7246 9.7273 9.9120 9.9304 10.0963 10.1045 10.3067 10.3531 k = 0.5000 0.2887 0.2219 ( 7660 PWs) bands (ev): -1.3112 -1.3101 -1.0603 -1.0587 3.9659 3.9697 4.1530 4.1798 5.2999 5.3007 5.8190 5.8475 5.9757 5.9803 6.7811 6.7812 7.0705 7.0857 7.1419 7.1709 7.3572 7.3812 7.4972 7.5002 7.7270 7.7703 7.8580 7.8648 7.9429 8.0348 8.0906 8.1103 8.1940 8.2213 8.5929 8.6210 8.7947 8.8118 9.2559 9.2630 9.5297 9.5308 9.7656 9.7675 9.9415 9.9592 10.1284 10.1345 10.3403 10.3871 k = 0.5000 0.2887 0.1972 ( 7668 PWs) bands (ev): -1.3307 -1.3298 -1.0760 -1.0746 3.9392 3.9425 4.1325 4.1559 5.2863 5.2866 5.8139 5.8361 5.9685 5.9737 6.7688 6.7693 7.0512 7.0643 7.1624 7.1914 7.4102 7.4264 7.5103 7.5178 7.7494 7.8017 7.8749 7.9079 7.9615 8.0710 8.0862 8.1077 8.1883 8.2129 8.5932 8.6231 8.7760 8.7943 9.2929 9.2997 9.5778 9.5778 9.8081 9.8097 9.9664 9.9835 10.1641 10.1680 10.3766 10.4236 k = 0.5000 0.2887 0.1726 ( 7668 PWs) bands (ev): -1.3480 -1.3472 -1.0899 -1.0887 3.9152 3.9181 4.1144 4.1346 5.2739 5.2739 5.8079 5.8251 5.9628 5.9681 6.7560 6.7569 7.0325 7.0438 7.1736 7.1996 7.4578 7.4675 7.5264 7.5380 7.7727 7.8353 7.8850 7.9234 8.0141 8.0816 8.1081 8.1120 8.1914 8.2058 8.5905 8.6216 8.7551 8.7749 9.3270 9.3333 9.6236 9.6247 9.8516 9.8531 9.9857 10.0025 10.2033 10.2049 10.4153 10.4624 k = 0.5000 0.2887 0.1479 ( 7658 PWs) bands (ev): -1.3631 -1.3624 -1.1021 -1.1010 3.8943 3.8967 4.0989 4.1159 5.2627 5.2629 5.8018 5.8149 5.9582 5.9634 6.7439 6.7450 7.0155 7.0251 7.1783 7.2003 7.4979 7.5031 7.5428 7.5575 7.7957 7.8671 7.8931 7.9306 8.0677 8.0796 8.1233 8.1359 8.2002 8.2189 8.5851 8.6167 8.7319 8.7535 9.3576 9.3632 9.6681 9.6701 9.8946 9.8968 9.9987 10.0156 10.2449 10.2455 10.4558 10.5029 k = 0.5000 0.2887 0.1233 ( 7654 PWs) bands (ev): -1.3759 -1.3753 -1.1124 -1.1115 3.8764 3.8784 4.0858 4.0999 5.2531 5.2534 5.7959 5.8059 5.9548 5.9594 6.7330 6.7342 7.0008 7.0087 7.1792 7.1970 7.5296 7.5331 7.5577 7.5749 7.8165 7.8824 7.9132 7.9387 8.0803 8.0858 8.1404 8.1772 8.1974 8.2704 8.5778 8.6087 8.7058 8.7297 9.3843 9.3892 9.7112 9.7136 9.9349 9.9391 10.0051 10.0232 10.2880 10.2906 10.4969 10.5440 k = 0.5000 0.2887 0.0986 ( 7658 PWs) bands (ev): -1.3864 -1.3859 -1.1208 -1.1201 3.8617 3.8632 4.0754 4.0865 5.2452 5.2455 5.7907 5.7980 5.9522 5.9561 6.7237 6.7248 6.9886 6.9948 7.1782 7.1921 7.5533 7.5576 7.5701 7.5893 7.8335 7.8840 7.9398 7.9487 8.0852 8.0903 8.1396 8.1908 8.2506 8.3293 8.5694 8.5984 8.6766 8.7032 9.4067 9.4108 9.7526 9.7552 9.9669 9.9751 10.0079 10.0289 10.3336 10.3378 10.5372 10.5838 k = 0.5000 0.2887 0.0740 ( 7660 PWs) bands (ev): -1.3945 -1.3942 -1.1274 -1.1269 3.8502 3.8513 4.0675 4.0758 5.2389 5.2392 5.7865 5.7916 5.9504 5.9534 6.7164 6.7173 6.9791 6.9837 7.1768 7.1870 7.5699 7.5768 7.5801 7.6003 7.8464 7.8823 7.9593 7.9602 8.0937 8.0940 8.1393 8.1878 8.3205 8.3884 8.5613 8.5864 8.6439 8.6736 9.4246 9.4278 9.7918 9.7942 9.9794 9.9845 10.0259 10.0417 10.3812 10.3866 10.5746 10.6197 k = 0.5000 0.2887 0.0493 ( 7664 PWs) bands (ev): -1.4004 -1.4001 -1.1321 -1.1317 3.8420 3.8428 4.0623 4.0678 5.2345 5.2347 5.7835 5.7868 5.9494 5.9514 6.7111 6.7117 6.9724 6.9755 7.1757 7.1824 7.5809 7.5858 7.5925 7.6074 7.8559 7.8790 7.9685 7.9723 8.0976 8.1029 8.1435 8.1835 8.3869 8.4443 8.5544 8.5722 8.6094 8.6409 9.4377 9.4399 9.8279 9.8297 9.9720 9.9727 10.0524 10.0610 10.4294 10.4354 10.6072 10.6430 k = 0.5000 0.2887 0.0247 ( 7652 PWs) bands (ev): -1.4039 -1.4037 -1.1349 -1.1347 3.8372 3.8375 4.0597 4.0624 5.2318 5.2319 5.7820 5.7836 5.9489 5.9500 6.7079 6.7082 6.9687 6.9703 7.1755 7.1788 7.5873 7.5895 7.6028 7.6103 7.8634 7.8747 7.9750 7.9777 8.1017 8.1063 8.1539 8.1766 8.4480 8.4943 8.5469 8.5479 8.5842 8.6072 9.4459 9.4470 9.8577 9.8587 9.9565 9.9567 10.0715 10.0755 10.4745 10.4798 10.6124 10.6176 k = 0.5000 0.2887-0.0000 ( 7640 PWs) bands (ev): -1.4050 -1.4050 -1.1357 -1.1357 3.8357 3.8357 4.0597 4.0597 5.2309 5.2309 5.7820 5.7820 5.9491 5.9491 6.7070 6.7070 6.9680 6.9680 7.1765 7.1765 7.5901 7.5901 7.6088 7.6088 7.8695 7.8695 7.9782 7.9782 8.1051 8.1051 8.1664 8.1664 8.5023 8.5023 8.5323 8.5323 8.5830 8.5830 9.4490 9.4490 9.8716 9.8716 9.9477 9.9477 10.0795 10.0795 10.5005 10.5005 10.5956 10.5956 k = 0.3333 0.5774-0.0000 ( 7674 PWs) bands (ev): -1.2695 -1.2695 -1.2693 -1.2693 3.5141 3.5141 4.6765 4.6765 4.8333 4.8333 5.6221 5.6221 6.2213 6.2213 6.7980 6.7980 7.0772 7.0772 7.1052 7.1052 7.5824 7.5824 7.5987 7.5987 7.8277 7.8277 7.9132 7.9132 7.9648 7.9648 8.3510 8.3510 8.3572 8.3572 8.6247 8.6247 8.6821 8.6821 9.6975 9.6975 9.9194 9.9194 9.9887 9.9887 9.9955 9.9955 10.0665 10.0665 10.1026 10.1026 k = 0.3333 0.5774 0.0247 ( 7662 PWs) bands (ev): -1.2685 -1.2685 -1.2683 -1.2681 3.5159 3.5159 4.6758 4.6791 4.8343 4.8343 5.6234 5.6234 6.2211 6.2211 6.7993 6.7993 7.0780 7.0790 7.1066 7.1066 7.5806 7.5806 7.5929 7.5993 7.8240 7.8339 7.9138 7.9138 7.9644 7.9644 8.3348 8.3384 8.3384 8.3530 8.6218 8.6464 8.6907 8.6907 9.6919 9.6919 9.9131 9.9131 9.9608 9.9635 9.9635 9.9669 10.1003 10.1003 10.1251 10.1327 k = 0.3333 0.5774 0.0493 ( 7665 PWs) bands (ev): -1.2653 -1.2653 -1.2652 -1.2648 3.5210 3.5210 4.6771 4.6837 4.8375 4.8375 5.6273 5.6273 6.2205 6.2205 6.8030 6.8030 7.0814 7.0835 7.1106 7.1106 7.5749 7.5749 7.5820 7.5945 7.8224 7.8425 7.9155 7.9155 7.9630 7.9630 8.2938 8.3043 8.3043 8.3229 8.6374 8.6787 8.7131 8.7131 9.6755 9.6755 9.8917 9.8917 9.9130 9.9160 9.9160 9.9195 10.1558 10.1558 10.1761 10.1854 k = 0.3333 0.5774 0.0740 ( 7656 PWs) bands (ev): -1.2600 -1.2599 -1.2599 -1.2593 3.5297 3.5297 4.6802 4.6902 4.8427 4.8427 5.6339 5.6339 6.2195 6.2195 6.8093 6.8093 7.0873 7.0904 7.1170 7.1170 7.5654 7.5654 7.5666 7.5844 7.8220 7.8527 7.9174 7.9174 7.9607 7.9607 8.2419 8.2563 8.2563 8.2763 8.6639 8.7145 8.7430 8.7430 9.6495 9.6495 9.8487 9.8487 9.8618 9.8672 9.8787 9.8787 10.2132 10.2132 10.2345 10.2435 k = 0.3333 0.5774 0.0986 ( 7656 PWs) bands (ev): -1.2527 -1.2525 -1.2525 -1.2518 3.5417 3.5417 4.6851 4.6986 4.8499 4.8499 5.6430 5.6430 6.2180 6.2180 6.8179 6.8179 7.0954 7.0996 7.1257 7.1257 7.5469 7.5520 7.5520 7.5693 7.8209 7.8636 7.9184 7.9184 7.9577 7.9577 8.1844 8.2013 8.2013 8.2222 8.6944 8.7501 8.7756 8.7756 9.6153 9.6153 9.7975 9.7975 9.8106 9.8145 9.8418 9.8418 10.2663 10.2663 10.2950 10.3026 k = 0.3333 0.5774 0.1233 ( 7656 PWs) bands (ev): -1.2432 -1.2429 -1.2429 -1.2421 3.5571 3.5571 4.6919 4.7089 4.8591 4.8591 5.6546 5.6546 6.2162 6.2162 6.8290 6.8290 7.1054 7.1106 7.1363 7.1363 7.5231 7.5343 7.5343 7.5490 7.8165 7.8738 7.9156 7.9156 7.9541 7.9541 8.1252 8.1458 8.1458 8.1678 8.7257 8.7838 8.8082 8.8082 9.5745 9.5745 9.7461 9.7461 9.7602 9.7626 9.7992 9.7992 10.2992 10.2992 10.3557 10.3579 k = 0.3333 0.5774 0.1479 ( 7659 PWs) bands (ev): -1.2317 -1.2312 -1.2312 -1.2303 3.5759 3.5759 4.7003 4.7209 4.8702 4.8702 5.6687 5.6687 6.2139 6.2139 6.8424 6.8424 7.1164 7.1228 7.1478 7.1478 7.4951 7.5122 7.5122 7.5234 7.8058 7.8804 7.9045 7.9045 7.9500 7.9500 8.0691 8.0976 8.0976 8.1195 8.7561 8.8150 8.8396 8.8396 9.5287 9.5287 9.6957 9.6957 9.7110 9.7117 9.7512 9.7512 10.3068 10.3068 10.4046 10.4056 k = 0.3333 0.5774 0.1726 ( 7671 PWs) bands (ev): -1.2181 -1.2175 -1.2175 -1.2165 3.5979 3.5979 4.7103 4.7348 4.8832 4.8832 5.6851 5.6851 6.2112 6.2112 6.8581 6.8581 7.1274 7.1347 7.1591 7.1591 7.4632 7.4854 7.4854 7.4923 7.7862 7.8775 7.8800 7.8800 7.9449 7.9449 8.0241 8.0649 8.0649 8.0828 8.7851 8.8437 8.8692 8.8692 9.4790 9.4790 9.6463 9.6463 9.6621 9.6629 9.6989 9.6989 10.3047 10.3047 10.4543 10.4559 k = 0.3333 0.5774 0.1972 ( 7689 PWs) bands (ev): -1.2024 -1.2018 -1.2018 -1.2007 3.6232 3.6232 4.7217 4.7503 4.8978 4.8978 5.7037 5.7037 6.2081 6.2081 6.8759 6.8759 7.1358 7.1439 7.1675 7.1675 7.4286 7.4548 7.4548 7.4560 7.7579 7.8426 7.8426 7.8568 7.9386 7.9386 8.0004 8.0502 8.0502 8.0604 8.8124 8.8698 8.8967 8.8967 9.4267 9.4267 9.5982 9.5982 9.6138 9.6160 9.6433 9.6433 10.2980 10.2980 10.5005 10.5032 k = 0.3333 0.5774 0.2219 ( 7683 PWs) bands (ev): -1.1848 -1.1841 -1.1841 -1.1828 3.6516 3.6516 4.7345 4.7674 4.9140 4.9140 5.7243 5.7243 6.2045 6.2045 6.8957 6.8957 7.1371 7.1455 7.1681 7.1681 7.3947 7.4179 7.4239 7.4239 7.7250 7.7998 7.7998 7.8203 7.9314 7.9314 7.9975 8.0483 8.0483 8.0506 8.8379 8.8935 8.9222 8.9222 9.3726 9.3726 9.5511 9.5511 9.5669 9.5705 9.5854 9.5854 10.2882 10.2882 10.5300 10.5403 k = 0.3333 0.5774 0.2465 ( 7680 PWs) bands (ev): -1.1653 -1.1645 -1.1645 -1.1631 3.6831 3.6831 4.7485 4.7860 4.9317 4.9317 5.7469 5.7469 6.2005 6.2005 6.9172 6.9172 7.1239 7.1304 7.1529 7.1529 7.3684 7.3863 7.4000 7.4000 7.6922 7.7584 7.7584 7.7792 7.9236 7.9236 8.0056 8.0500 8.0534 8.0534 8.8617 8.9149 8.9455 8.9455 9.3174 9.3174 9.5044 9.5044 9.5214 9.5264 9.5267 9.5267 10.2760 10.2760 10.5414 10.5509 k = 0.3333 0.5774 0.2712 ( 7692 PWs) bands (ev): -1.1438 -1.1429 -1.1429 -1.1414 3.7175 3.7175 4.7635 4.8060 4.9507 4.9507 5.7713 5.7713 6.1961 6.1961 6.9400 6.9400 7.0888 7.0895 7.1148 7.1148 7.3571 7.3710 7.3908 7.3908 7.6622 7.7219 7.7219 7.7398 7.9153 7.9153 8.0185 8.0552 8.0621 8.0621 8.8836 8.9341 8.9666 8.9666 9.2618 9.2618 9.4545 9.4545 9.4716 9.4716 9.4777 9.4838 10.2620 10.2620 10.5419 10.5498 k = 0.3333 0.5774 0.2959 ( 7695 PWs) bands (ev): -1.1205 -1.1195 -1.1195 -1.1179 3.7549 3.7549 4.7793 4.8271 4.9706 4.9706 5.7972 5.7972 6.1912 6.1912 6.9621 6.9621 7.0230 7.0317 7.0564 7.0564 7.3616 7.3737 7.3968 7.3968 7.6363 7.6911 7.6911 7.7045 7.9068 7.9068 8.0335 8.0642 8.0730 8.0730 8.9035 8.9510 8.9853 8.9853 9.2063 9.2063 9.3963 9.3963 9.4260 9.4260 9.4357 9.4430 10.2469 10.2469 10.5357 10.5429 k = 0.3333 0.5774 0.3205 ( 7695 PWs) bands (ev): -1.0954 -1.0943 -1.0943 -1.0926 3.7950 3.7950 4.7956 4.8492 4.9914 4.9914 5.8243 5.8243 6.1859 6.1859 6.9384 6.9567 6.9567 6.9585 7.0111 7.0111 7.3770 7.3883 7.4131 7.4131 7.6142 7.6654 7.6654 7.6736 7.8981 7.8981 8.0497 8.0756 8.0851 8.0851 8.9213 8.9655 9.0013 9.0013 9.1514 9.1514 9.3348 9.3348 9.3856 9.3856 9.3960 9.4042 10.2309 10.2309 10.5253 10.5326 k = 0.3333 0.5774 0.3452 ( 7677 PWs) bands (ev): -1.0686 -1.0675 -1.0675 -1.0656 3.8377 3.8377 4.8122 4.8722 5.0128 5.0128 5.8525 5.8525 6.1800 6.1800 6.8427 6.8750 6.8803 6.8803 7.0281 7.0281 7.3986 7.4089 7.4349 7.4349 7.5960 7.6443 7.6443 7.6469 7.8896 7.8896 8.0666 8.0887 8.0981 8.0981 8.9366 8.9774 9.0142 9.0142 9.0976 9.0976 9.2728 9.2728 9.3487 9.3487 9.3586 9.3679 10.2142 10.2142 10.5117 10.5201 k = 0.3333 0.5774 0.3698 ( 7677 PWs) bands (ev): -1.0402 -1.0389 -1.0389 -1.0370 3.8830 3.8830 4.8288 4.8958 5.0342 5.0342 5.8812 5.8812 6.1737 6.1737 6.7403 6.7852 6.7893 6.7893 7.0554 7.0554 7.4233 7.4315 7.4589 7.4589 7.5820 7.6240 7.6276 7.6276 7.8814 7.8814 8.0840 8.1029 8.1119 8.1119 8.9489 8.9862 9.0232 9.0232 9.0453 9.0453 9.2110 9.2110 9.3154 9.3154 9.3241 9.3344 10.1970 10.1970 10.4957 10.5057 k = 0.3333 0.5774 0.3945 ( 7677 PWs) bands (ev): -1.0102 -1.0089 -1.0089 -1.0068 3.9305 3.9305 4.8449 4.9197 5.0555 5.0555 5.9100 5.9100 6.1669 6.1669 6.6341 6.6916 6.6947 6.6947 7.0845 7.0845 7.4489 7.4524 7.4821 7.4821 7.5735 7.6049 7.6159 7.6159 7.8737 7.8737 8.1018 8.1181 8.1263 8.1263 8.9578 8.9916 8.9942 8.9942 9.0279 9.0279 9.1500 9.1500 9.2864 9.2864 9.2929 9.3040 10.1792 10.1792 10.4778 10.4901 k = 0.3333 0.5774 0.4191 ( 7683 PWs) bands (ev): -0.9788 -0.9773 -0.9773 -0.9752 3.9803 3.9803 4.8602 4.9435 5.0759 5.0759 5.9382 5.9382 6.1596 6.1596 6.5258 6.5963 6.6000 6.6000 7.1145 7.1145 7.4674 7.4730 7.5010 7.5010 7.5731 7.5903 7.6109 7.6109 7.8669 7.8669 8.1201 8.1342 8.1415 8.1415 8.9457 8.9457 8.9628 8.9930 9.0263 9.0263 9.0906 9.0906 9.2621 9.2621 9.2653 9.2773 10.1606 10.1606 10.4586 10.4735 k = 0.3333 0.5774 0.4438 ( 7671 PWs) bands (ev): -0.9460 -0.9444 -0.9444 -0.9422 4.0319 4.0319 4.8742 4.9670 5.0950 5.0950 5.9645 5.9645 6.1520 6.1520 6.4169 6.5009 6.5079 6.5079 7.1446 7.1446 7.4736 7.4920 7.5120 7.5120 7.5827 7.5829 7.6153 7.6153 7.8613 7.8613 8.1390 8.1513 8.1575 8.1575 8.8994 8.8994 8.9635 8.9902 9.0136 9.0136 9.0377 9.0377 9.2416 9.2429 9.2429 9.2544 10.1412 10.1412 10.4387 10.4566 k = 0.3333 0.5774 0.4684 ( 7665 PWs) bands (ev): -0.9119 -0.9103 -0.9103 -0.9079 4.0854 4.0854 4.8863 4.9896 5.1117 5.1117 5.9866 5.9866 6.1448 6.1448 6.3087 6.4067 6.4214 6.4214 7.1746 7.1746 7.4721 7.5012 7.5141 7.5141 7.5857 7.6005 7.6288 7.6288 7.8571 7.8571 8.1585 8.1695 8.1745 8.1745 8.8557 8.8557 8.9596 8.9678 8.9678 8.9830 9.0139 9.0139 9.2215 9.2282 9.2282 9.2352 10.1205 10.1205 10.4188 10.4399 k = 0.3333 0.5774 0.4931 ( 7674 PWs) bands (ev): -0.8767 -0.8750 -0.8750 -0.8726 4.1404 4.1404 4.8959 5.0106 5.1253 5.1253 6.0003 6.0003 6.1396 6.1396 6.2024 6.3149 6.3445 6.3445 7.2041 7.2041 7.4666 7.5001 7.5104 7.5104 7.5992 7.6217 7.6475 7.6475 7.8547 7.8547 8.1787 8.1888 8.1925 8.1925 8.8150 8.8150 8.9127 8.9127 8.9514 8.9720 8.9965 8.9965 9.2045 9.2169 9.2169 9.2193 10.0985 10.0985 10.3998 10.4240 k = 0.3333 0.5774 0.5177 ( 7692 PWs) bands (ev): -0.8405 -0.8387 -0.8387 -0.8362 4.1967 4.1967 4.9021 5.0293 5.1343 5.1343 5.9987 5.9987 6.0992 6.1397 6.1397 6.2268 6.2824 6.2824 7.2327 7.2327 7.4594 7.4934 7.5041 7.5041 7.6176 7.6434 7.6678 7.6678 7.8544 7.8544 8.1998 8.2093 8.2118 8.2118 8.7774 8.7774 8.8583 8.8583 8.9397 8.9578 8.9772 8.9772 9.1898 9.2056 9.2075 9.2075 10.0747 10.0747 10.3824 10.4096 k = 0.3333 0.5774 0.5424 ( 7689 PWs) bands (ev): -0.8035 -0.8016 -0.8016 -0.7990 4.2541 4.2541 4.9041 5.0446 5.1372 5.1372 5.9779 5.9779 6.0004 6.1435 6.1453 6.1453 6.2400 6.2400 7.2601 7.2601 7.4518 7.4849 7.4968 7.4968 7.6369 7.6641 7.6873 7.6873 7.8563 7.8563 8.2216 8.2312 8.2323 8.2323 8.7431 8.7431 8.8054 8.8054 8.9251 8.9414 8.9563 8.9563 9.1763 9.1932 9.1985 9.1985 10.0488 10.0488 10.3674 10.3973 k = 0.3333 0.5774 0.5671 ( 7689 PWs) bands (ev): -0.7657 -0.7638 -0.7638 -0.7612 4.3121 4.3121 4.9012 5.0550 5.1325 5.1325 5.9080 5.9433 5.9433 6.0664 6.1496 6.1496 6.2211 6.2211 7.2862 7.2862 7.4445 7.4762 7.4895 7.4895 7.6550 7.6825 7.7049 7.7049 7.8606 7.8606 8.2440 8.2539 8.2539 8.2541 8.7122 8.7122 8.7545 8.7545 8.9087 8.9236 8.9349 8.9349 9.1631 9.1812 9.1890 9.1890 10.0208 10.0208 10.3554 10.3876 k = 0.3333 0.5774 0.5917 ( 7671 PWs) bands (ev): -0.7274 -0.7255 -0.7255 -0.7228 4.3706 4.3706 4.8924 5.0587 5.1185 5.1185 5.8240 5.9047 5.9047 5.9964 6.1453 6.1453 6.2243 6.2243 7.3107 7.3107 7.4379 7.4681 7.4827 7.4827 7.6711 7.6984 7.7200 7.7200 7.8674 7.8674 8.2670 8.2763 8.2763 8.2781 8.6845 8.6845 8.7062 8.7062 8.8912 8.9053 8.9133 8.9133 9.1496 9.1686 9.1785 9.1785 9.9902 9.9902 10.3469 10.3807 k = 0.3333 0.5774 0.6164 ( 7671 PWs) bands (ev): -0.6888 -0.6868 -0.6868 -0.6840 4.4289 4.4289 4.8771 5.0533 5.0944 5.0944 5.7509 5.8699 5.8699 5.9346 6.1361 6.1361 6.2395 6.2395 7.3336 7.3336 7.4320 7.4608 7.4765 7.4765 7.6847 7.7115 7.7323 7.7323 7.8765 7.8765 8.2901 8.2992 8.2992 8.3026 8.6536 8.6536 8.6670 8.6670 8.8732 8.8868 8.8922 8.8922 9.1356 9.1552 9.1667 9.1667 9.9569 9.9569 10.3420 10.3771 k = 0.3333 0.5774 0.6410 ( 7665 PWs) bands (ev): -0.6500 -0.6479 -0.6479 -0.6452 4.4867 4.4867 4.8549 5.0369 5.0601 5.0601 5.6910 5.8430 5.8430 5.8816 6.1262 6.1262 6.2582 6.2582 7.3550 7.3550 7.4271 7.4546 7.4714 7.4714 7.6957 7.7217 7.7419 7.7419 7.8877 7.8877 8.3130 8.3220 8.3220 8.3273 8.6112 8.6112 8.6457 8.6457 8.8550 8.8687 8.8718 8.8718 9.1210 9.1409 9.1539 9.1539 9.9209 9.9209 10.3408 10.3765 k = 0.3333 0.5774 0.6657 ( 7671 PWs) bands (ev): -0.6112 -0.6091 -0.6091 -0.6064 4.5432 4.5432 4.8257 5.0079 5.0172 5.0172 5.6460 5.8253 5.8253 5.8376 6.1169 6.1169 6.2772 6.2772 7.3748 7.3748 7.4233 7.4495 7.4674 7.4674 7.7043 7.7292 7.7489 7.7489 7.9006 7.9006 8.3351 8.3441 8.3441 8.3516 8.5689 8.5689 8.6306 8.6306 8.8371 8.8510 8.8521 8.8521 9.1061 9.1258 9.1403 9.1403 9.8820 9.8820 10.3434 10.3790 k = 0.3333 0.5774 0.6903 ( 7674 PWs) bands (ev): -0.5728 -0.5707 -0.5707 -0.5679 4.5970 4.5970 4.7902 4.9667 4.9684 4.9684 5.6158 5.8023 5.8160 5.8160 6.1081 6.1081 6.2953 6.2953 7.3932 7.3932 7.4207 7.4456 7.4648 7.4648 7.7104 7.7342 7.7535 7.7535 7.9149 7.9149 8.3559 8.3648 8.3648 8.3748 8.5287 8.5287 8.6201 8.6201 8.8195 8.8334 8.8334 8.8340 9.0913 9.1103 9.1265 9.1265 9.8403 9.8403 10.3492 10.3843 k = 0.3333 0.5774 0.7150 ( 7674 PWs) bands (ev): -0.5348 -0.5327 -0.5327 -0.5300 4.6455 4.6455 4.7493 4.9154 4.9185 4.9185 5.5986 5.7750 5.8139 5.8139 6.1000 6.1000 6.3118 6.3118 7.4101 7.4101 7.4192 7.4430 7.4641 7.4641 7.7145 7.7370 7.7561 7.7561 7.9300 7.9300 8.3747 8.3833 8.3833 8.3962 8.4909 8.4909 8.6140 8.6140 8.8026 8.8156 8.8156 8.8177 9.0773 9.0952 9.1133 9.1133 9.7958 9.7958 10.3579 10.3920 k = 0.3333 0.5774 0.7396 ( 7671 PWs) bands (ev): -0.4977 -0.4956 -0.4956 -0.4929 4.6814 4.6814 4.7043 4.8570 4.8764 4.8764 5.5914 5.7546 5.8170 5.8170 6.0923 6.0923 6.3262 6.3262 7.4189 7.4249 7.4249 7.4417 7.4661 7.4661 7.7166 7.7379 7.7569 7.7569 7.9453 7.9453 8.3910 8.3990 8.3990 8.4151 8.4556 8.4556 8.6124 8.6124 8.7863 8.7990 8.7990 8.8022 9.0646 9.0810 9.1012 9.1012 9.7487 9.7487 10.3691 10.4016 k = 0.3333 0.5774 0.7643 ( 7665 PWs) bands (ev): -0.4616 -0.4595 -0.4595 -0.4569 4.6567 4.6884 4.6884 4.7947 4.8603 4.8603 5.5916 5.7399 5.8238 5.8238 6.0852 6.0852 6.3387 6.3387 7.4198 7.4365 7.4365 7.4416 7.4721 7.4721 7.7172 7.7372 7.7562 7.7562 7.9602 7.9602 8.4044 8.4092 8.4092 8.4249 8.4249 8.4308 8.6154 8.6154 8.7710 8.7836 8.7836 8.7876 9.0538 9.0683 9.0908 9.0908 9.6991 9.6991 10.3821 10.4131 k = 0.3333 0.5774 0.7889 ( 7662 PWs) bands (ev): -0.4268 -0.4248 -0.4248 -0.4223 4.6079 4.6593 4.6593 4.7310 4.8786 4.8786 5.5966 5.7297 5.8332 5.8332 6.0786 6.0786 6.3490 6.3490 7.4218 7.4427 7.4443 7.4443 7.4827 7.4827 7.7164 7.7351 7.7543 7.7543 7.9741 7.9741 8.3899 8.3899 8.4145 8.4226 8.4226 8.4429 8.6228 8.6228 8.7569 8.7696 8.7696 8.7740 9.0452 9.0578 9.0827 9.0827 9.6472 9.6472 10.3964 10.4250 k = 0.3333 0.5774 0.8136 ( 7674 PWs) bands (ev): -0.3936 -0.3917 -0.3917 -0.3893 4.5594 4.6124 4.6124 4.6680 4.9138 4.9138 5.6047 5.7229 5.8439 5.8439 6.0725 6.0725 6.3573 6.3573 7.4249 7.4448 7.4499 7.4499 7.4967 7.4967 7.7145 7.7320 7.7516 7.7516 7.9865 7.9865 8.3625 8.3625 8.4213 8.4271 8.4271 8.4508 8.6349 8.6349 8.7441 8.7574 8.7574 8.7614 9.0392 9.0497 9.0769 9.0769 9.5934 9.5934 10.4114 10.4376 k = 0.3333 0.5774 0.8383 ( 7668 PWs) bands (ev): -0.3624 -0.3605 -0.3605 -0.3583 4.5125 4.5612 4.5612 4.6073 4.9533 4.9533 5.6147 5.7185 5.8553 5.8553 6.0670 6.0670 6.3638 6.3638 7.4290 7.4478 7.4546 7.4546 7.5123 7.5123 7.7119 7.7281 7.7481 7.7481 7.9969 7.9969 8.3372 8.3372 8.4247 8.4282 8.4282 8.4547 8.6514 8.6514 8.7330 8.7472 8.7472 8.7499 9.0357 9.0442 9.0736 9.0736 9.5378 9.5378 10.4266 10.4504 k = 0.3333 0.5774 0.8629 ( 7692 PWs) bands (ev): -0.3334 -0.3316 -0.3316 -0.3296 4.4681 4.5109 4.5109 4.5501 4.9923 4.9923 5.6255 5.7158 5.8667 5.8667 6.0620 6.0620 6.3685 6.3685 7.4339 7.4515 7.4593 7.4593 7.5285 7.5285 7.7087 7.7235 7.7443 7.7443 8.0050 8.0050 8.3144 8.3144 8.4252 8.4261 8.4261 8.4546 8.6716 8.6716 8.7236 8.7396 8.7396 8.7396 9.0344 9.0412 9.0724 9.0724 9.4809 9.4809 10.4415 10.4627 k = 0.3333 0.5774 0.8876 ( 7659 PWs) bands (ev): -0.3069 -0.3053 -0.3053 -0.3034 4.4273 4.4638 4.4638 4.4973 5.0289 5.0289 5.6366 5.7140 5.8776 5.8776 6.0575 6.0575 6.3719 6.3719 7.4394 7.4557 7.4642 7.4642 7.5447 7.5447 7.7052 7.7187 7.7403 7.7403 8.0107 8.0107 8.2942 8.2942 8.4213 8.4213 8.4235 8.4512 8.6931 8.6931 8.7159 8.7305 8.7373 8.7373 9.0351 9.0402 9.0731 9.0731 9.4231 9.4231 10.4556 10.4740 k = 0.3333 0.5774 0.9122 ( 7674 PWs) bands (ev): -0.2832 -0.2817 -0.2817 -0.2801 4.3910 4.4212 4.4212 4.4496 5.0620 5.0620 5.6475 5.7127 5.8877 5.8877 6.0536 6.0536 6.3741 6.3741 7.4453 7.4601 7.4692 7.4692 7.5605 7.5605 7.7016 7.7137 7.7363 7.7363 8.0141 8.0141 8.2767 8.2767 8.4146 8.4146 8.4201 8.4453 8.7063 8.7063 8.7098 8.7227 8.7495 8.7495 9.0371 9.0409 9.0750 9.0750 9.3646 9.3646 10.4687 10.4845 k = 0.3333 0.5774 0.9369 ( 7659 PWs) bands (ev): -0.2626 -0.2613 -0.2613 -0.2599 4.3598 4.3841 4.3841 4.4077 5.0909 5.0909 5.6579 5.7114 5.8967 5.8967 6.0502 6.0502 6.3754 6.3754 7.4513 7.4643 7.4742 7.4742 7.5753 7.5753 7.6982 7.7087 7.7326 7.7326 8.0155 8.0155 8.2619 8.2619 8.4070 8.4070 8.4160 8.4379 8.7052 8.7077 8.7077 8.7160 8.7790 8.7790 9.0400 9.0427 9.0774 9.0774 9.3061 9.3061 10.4804 10.4935 k = 0.3333 0.5774 0.9615 ( 7665 PWs) bands (ev): -0.2452 -0.2442 -0.2442 -0.2431 4.3342 4.3529 4.3529 4.3720 5.1152 5.1152 5.6675 5.7098 5.9043 5.9043 6.0475 6.0475 6.3760 6.3760 7.4572 7.4681 7.4788 7.4788 7.5886 7.5886 7.6952 7.7040 7.7292 7.7292 8.0153 8.0153 8.2497 8.2497 8.3994 8.3994 8.4118 8.4300 8.7018 8.7058 8.7058 8.7105 8.8171 8.8171 9.0432 9.0451 9.0797 9.0797 9.2482 9.2482 10.4906 10.5010 k = 0.3333 0.5774 0.9862 ( 7680 PWs) bands (ev): -0.2315 -0.2307 -0.2307 -0.2298 4.3148 4.3282 4.3282 4.3428 5.1345 5.1345 5.6763 5.7077 5.9104 5.9104 6.0453 6.0453 6.3762 6.3762 7.4626 7.4711 7.4827 7.4827 7.5997 7.5997 7.6928 7.6997 7.7264 7.7264 8.0142 8.0142 8.2402 8.2402 8.3925 8.3925 8.4083 8.4223 8.6995 8.7038 8.7038 8.7060 8.8599 8.8599 9.0462 9.0475 9.0805 9.0805 9.1922 9.1922 10.4988 10.5067 k = 0.3333 0.5774 1.0108 ( 7686 PWs) bands (ev): -0.2214 -0.2209 -0.2209 -0.2203 4.3020 4.3103 4.3103 4.3205 5.1485 5.1485 5.6840 5.7049 5.9148 5.9148 6.0437 6.0437 6.3762 6.3762 7.4672 7.4731 7.4858 7.4858 7.6082 7.6082 7.6914 7.6961 7.7244 7.7244 8.0128 8.0128 8.2335 8.2335 8.3871 8.3871 8.4061 8.4156 8.6982 8.7021 8.7021 8.7025 8.9062 8.9062 9.0487 9.0494 9.0757 9.0757 9.1423 9.1423 10.5052 10.5104 k = 0.3333 0.5774 1.0355 ( 7704 PWs) bands (ev): -0.2152 -0.2149 -0.2149 -0.2147 4.2961 4.2995 4.2995 4.3053 5.1569 5.1569 5.6908 5.7011 5.9176 5.9176 6.0428 6.0428 6.3762 6.3762 7.4707 7.4737 7.4878 7.4878 7.6135 7.6135 7.6909 7.6933 7.7231 7.7231 8.0116 8.0116 8.2294 8.2294 8.3837 8.3837 8.4056 8.4103 8.6979 8.7000 8.7011 8.7011 8.9548 8.9548 9.0503 9.0507 9.0516 9.0516 9.1131 9.1131 10.5097 10.5124 k = 0.3333 0.5774 1.0601 ( 7704 PWs) bands (ev): -0.2130 -0.2130 -0.2129 -0.2129 4.2959 4.2959 4.2971 4.2971 5.1598 5.1598 5.6965 5.6965 5.9185 5.9185 6.0425 6.0425 6.3761 6.3761 7.4729 7.4729 7.4885 7.4885 7.6153 7.6153 7.6916 7.6916 7.7227 7.7227 8.0112 8.0112 8.2281 8.2281 8.3825 8.3825 8.4070 8.4070 8.6985 8.6985 8.7008 8.7008 8.9963 8.9963 9.0145 9.0145 9.0510 9.0510 9.1071 9.1071 10.5119 10.5121 Writing output data file Zr6FeSb2.save init_run : 3.30s CPU 13.32s WALL ( 1 calls) electrons : 1841.20s CPU 1855.00s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.32s CPU 1.28s WALL ( 1 calls) Called by electrons: c_bands : 1841.16s CPU 1854.54s WALL ( 1 calls) v_of_rho : 0.23s CPU 0.79s WALL ( 1 calls) v_h : 0.00s CPU 0.01s WALL ( 1 calls) v_xc : 0.23s CPU 0.40s WALL ( 1 calls) newd : 0.34s CPU 0.57s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.13s CPU 0.27s WALL ( 270 calls) cegterg : 1733.06s CPU 1743.19s WALL ( 1427 calls) Called by sum_band: Called by *egterg: h_psi : 922.80s CPU 940.67s WALL ( 29243 calls) s_psi : 82.89s CPU 83.32s WALL ( 29243 calls) g_psi : 2.32s CPU 2.40s WALL ( 27546 calls) cdiaghg : 492.34s CPU 486.27s WALL ( 27816 calls) cegterg:over : 145.33s CPU 137.89s WALL ( 27546 calls) cegterg:upda : 41.48s CPU 50.31s WALL ( 27546 calls) cegterg:last : 32.25s CPU 33.84s WALL ( 4064 calls) Called by h_psi: h_psi:vloc : 713.37s CPU 727.58s WALL ( 29243 calls) h_psi:vnl : 208.25s CPU 210.58s WALL ( 29243 calls) add_vuspsi : 74.94s CPU 85.72s WALL ( 29243 calls) General routines calbec : 133.21s CPU 124.62s WALL ( 29243 calls) fft : 0.25s CPU 1.46s WALL ( 19 calls) ffts : 0.01s CPU 0.06s WALL ( 4 calls) fftw : 680.99s CPU 691.00s WALL ( 2437680 calls) interpolate : 0.02s CPU 0.07s WALL ( 4 calls) davcio : 0.02s CPU 2.07s WALL ( 540 calls) Parallel routines fft_scatter : 415.07s CPU 419.45s WALL ( 2437703 calls) PWSCF : 31m45.49s CPU 34m36.61s WALL This run was terminated on: 1: 4:18 4Nov2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=