Program PWSCF v.5.1.1 starts on 13Jun2016 at 16:13:29 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: ./ZnCdS2.save/ file Cd.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4D 4D renormalized file Zn.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D 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 59 16 5 3413 502 83 Max 60 17 6 3418 519 88 Sum 2861 793 241 163955 24477 4089 bravais-lattice index = 14 lattice parameter (alat) = 7.4833 a.u. unit-cell volume = 601.0841 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 3 number of electrons = 36.00 number of Kohn-Sham states= 44 kinetic-energy cutoff = 45.0000 Ry charge density cutoff = 639.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.483315 celldm(2)= 1.000000 celldm(3)= 1.434343 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= 0.000000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.000000 1.000000 0.000000 ) a(3) = ( 0.000000 0.000000 1.434343 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 1.000000 -0.000000 ) b(3) = ( 0.000000 0.000000 0.697183 ) PseudoPot. # 1 for S read from file: /home/autes/Pseudo/S.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 95f1324244b600346090892298cb4451 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1151 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Cd read from file: /home/autes/Pseudo/Cd.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 1d41bce1441572f114805845d9d822b0 Pseudo is Ultrasoft + core correction, Zval = 12.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1239 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Zn read from file: /home/autes/Pseudo/Zn.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: 8d14e5a70806ad8c3d477ea097862760 Pseudo is Ultrasoft + core correction, Zval = 12.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1201 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 S 6.00 32.06500 S( 1.00) Cd 12.00 112.41100 Cd( 1.00) Zn 12.00 65.40900 Zn( 1.00) 8 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 [0,0,1] cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 3 180 deg rotation - cart. axis [1,1,0] cryst. s( 3) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s( 3) = ( 0.0000000 1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 180 deg rotation - cart. axis [1,-1,0] cryst. s( 4) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s( 4) = ( -0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 5 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s( 5) = ( 1 0 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s( 5) = ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 6 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 6) = ( -1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 6) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 7 inv. 90 deg rotation - cart. axis [0,0,-1] cryst. s( 7) = ( 0 1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s( 7) = ( 0.0000000 -1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 8 inv. 90 deg rotation - cart. axis [0,0,1] cryst. s( 8) = ( 0 -1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s( 8) = ( -0.0000000 1.0000000 -0.0000000 ) ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group D_2d (-42m) there are 7 classes and 2 irreducible representations the character table: E -E C2 2S4 -2S4 2C2' 2s_d -C2 -2C2' -2s_d G_6 2.00 -2.00 0.00 1.41 -1.41 0.00 0.00 G_7 2.00 -2.00 0.00 -1.41 1.41 0.00 0.00 the symmetry operations in each class: E 1 C2 -C2 2 -2 2C2' -2C2' 3 -3 4 -4 2s_d -2s_d 5 -5 6 -6 2S4 7 8 -E -1 -2S4 -7 -8 Cartesian axes number of k points= 367 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027248 k( 2) = ( 0.0000000 0.0125000 -0.0000000), wk = 0.0027248 k( 3) = ( 0.0000000 0.0250000 -0.0000000), wk = 0.0027248 k( 4) = ( 0.0000000 0.0375000 -0.0000000), wk = 0.0027248 k( 5) = ( 0.0000000 0.0500000 -0.0000000), wk = 0.0027248 k( 6) = ( 0.0000000 0.0625000 -0.0000000), wk = 0.0027248 k( 7) = ( 0.0000000 0.0750000 -0.0000000), wk = 0.0027248 k( 8) = ( 0.0000000 0.0875000 -0.0000000), wk = 0.0027248 k( 9) = ( 0.0000000 0.1000000 -0.0000000), wk = 0.0027248 k( 10) = ( 0.0000000 0.1125000 -0.0000000), wk = 0.0027248 k( 11) = ( 0.0000000 0.1250000 -0.0000000), wk = 0.0027248 k( 12) = ( 0.0000000 0.1375000 -0.0000000), wk = 0.0027248 k( 13) = ( 0.0000000 0.1500000 -0.0000000), wk = 0.0027248 k( 14) = ( 0.0000000 0.1625000 -0.0000000), wk = 0.0027248 k( 15) = ( 0.0000000 0.1750000 -0.0000000), wk = 0.0027248 k( 16) = ( 0.0000000 0.1875000 -0.0000000), wk = 0.0027248 k( 17) = ( 0.0000000 0.2000000 -0.0000000), wk = 0.0027248 k( 18) = ( 0.0000000 0.2125000 -0.0000000), wk = 0.0027248 k( 19) = ( 0.0000000 0.2250000 -0.0000000), wk = 0.0027248 k( 20) = ( 0.0000000 0.2375000 -0.0000000), wk = 0.0027248 k( 21) = ( 0.0000000 0.2500000 -0.0000000), wk = 0.0027248 k( 22) = ( 0.0000000 0.2625000 -0.0000000), wk = 0.0027248 k( 23) = ( 0.0000000 0.2750000 -0.0000000), wk = 0.0027248 k( 24) = ( 0.0000000 0.2875000 -0.0000000), wk = 0.0027248 k( 25) = ( 0.0000000 0.3000000 -0.0000000), wk = 0.0027248 k( 26) = ( 0.0000000 0.3125000 -0.0000000), wk = 0.0027248 k( 27) = ( 0.0000000 0.3250000 -0.0000000), wk = 0.0027248 k( 28) = ( 0.0000000 0.3375000 -0.0000000), wk = 0.0027248 k( 29) = ( 0.0000000 0.3500000 -0.0000000), wk = 0.0027248 k( 30) = ( 0.0000000 0.3625000 -0.0000000), wk = 0.0027248 k( 31) = ( 0.0000000 0.3750000 -0.0000000), wk = 0.0027248 k( 32) = ( 0.0000000 0.3875000 -0.0000000), wk = 0.0027248 k( 33) = ( 0.0000000 0.4000000 -0.0000000), wk = 0.0027248 k( 34) = ( 0.0000000 0.4125000 -0.0000000), wk = 0.0027248 k( 35) = ( 0.0000000 0.4250000 -0.0000000), wk = 0.0027248 k( 36) = ( 0.0000000 0.4375000 -0.0000000), wk = 0.0027248 k( 37) = ( 0.0000000 0.4500000 -0.0000000), wk = 0.0027248 k( 38) = ( 0.0000000 0.4625000 -0.0000000), wk = 0.0027248 k( 39) = ( 0.0000000 0.4750000 -0.0000000), wk = 0.0027248 k( 40) = ( 0.0000000 0.4875000 -0.0000000), wk = 0.0027248 k( 41) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0027248 k( 42) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0027248 k( 43) = ( 0.0125000 0.5000000 -0.0000000), wk = 0.0027248 k( 44) = ( 0.0250000 0.5000000 -0.0000000), wk = 0.0027248 k( 45) = ( 0.0375000 0.5000000 -0.0000000), wk = 0.0027248 k( 46) = ( 0.0500000 0.5000000 -0.0000000), wk = 0.0027248 k( 47) = ( 0.0625000 0.5000000 -0.0000000), wk = 0.0027248 k( 48) = ( 0.0750000 0.5000000 -0.0000000), wk = 0.0027248 k( 49) = ( 0.0875000 0.5000000 -0.0000000), wk = 0.0027248 k( 50) = ( 0.1000000 0.5000000 -0.0000000), wk = 0.0027248 k( 51) = ( 0.1125000 0.5000000 -0.0000000), wk = 0.0027248 k( 52) = ( 0.1250000 0.5000000 -0.0000000), wk = 0.0027248 k( 53) = ( 0.1375000 0.5000000 -0.0000000), wk = 0.0027248 k( 54) = ( 0.1500000 0.5000000 -0.0000000), wk = 0.0027248 k( 55) = ( 0.1625000 0.5000000 -0.0000000), wk = 0.0027248 k( 56) = ( 0.1750000 0.5000000 -0.0000000), wk = 0.0027248 k( 57) = ( 0.1875000 0.5000000 -0.0000000), wk = 0.0027248 k( 58) = ( 0.2000000 0.5000000 -0.0000000), wk = 0.0027248 k( 59) = ( 0.2125000 0.5000000 -0.0000000), wk = 0.0027248 k( 60) = ( 0.2250000 0.5000000 -0.0000000), wk = 0.0027248 k( 61) = ( 0.2375000 0.5000000 -0.0000000), wk = 0.0027248 k( 62) = ( 0.2500000 0.5000000 -0.0000000), wk = 0.0027248 k( 63) = ( 0.2625000 0.5000000 -0.0000000), wk = 0.0027248 k( 64) = ( 0.2750000 0.5000000 -0.0000000), wk = 0.0027248 k( 65) = ( 0.2875000 0.5000000 -0.0000000), wk = 0.0027248 k( 66) = ( 0.3000000 0.5000000 -0.0000000), wk = 0.0027248 k( 67) = ( 0.3125000 0.5000000 -0.0000000), wk = 0.0027248 k( 68) = ( 0.3250000 0.5000000 -0.0000000), wk = 0.0027248 k( 69) = ( 0.3375000 0.5000000 -0.0000000), wk = 0.0027248 k( 70) = ( 0.3500000 0.5000000 -0.0000000), wk = 0.0027248 k( 71) = ( 0.3625000 0.5000000 -0.0000000), wk = 0.0027248 k( 72) = ( 0.3750000 0.5000000 -0.0000000), wk = 0.0027248 k( 73) = ( 0.3875000 0.5000000 -0.0000000), wk = 0.0027248 k( 74) = ( 0.4000000 0.5000000 -0.0000000), wk = 0.0027248 k( 75) = ( 0.4125000 0.5000000 -0.0000000), wk = 0.0027248 k( 76) = ( 0.4250000 0.5000000 -0.0000000), wk = 0.0027248 k( 77) = ( 0.4375000 0.5000000 -0.0000000), wk = 0.0027248 k( 78) = ( 0.4500000 0.5000000 -0.0000000), wk = 0.0027248 k( 79) = ( 0.4625000 0.5000000 -0.0000000), wk = 0.0027248 k( 80) = ( 0.4750000 0.5000000 -0.0000000), wk = 0.0027248 k( 81) = ( 0.4875000 0.5000000 -0.0000000), wk = 0.0027248 k( 82) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0027248 k( 83) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0027248 k( 84) = ( 0.4912281 0.4912281 -0.0000000), wk = 0.0027248 k( 85) = ( 0.4824561 0.4824561 -0.0000000), wk = 0.0027248 k( 86) = ( 0.4736842 0.4736842 -0.0000000), wk = 0.0027248 k( 87) = ( 0.4649123 0.4649123 -0.0000000), wk = 0.0027248 k( 88) = ( 0.4561404 0.4561403 -0.0000000), wk = 0.0027248 k( 89) = ( 0.4473684 0.4473684 -0.0000000), wk = 0.0027248 k( 90) = ( 0.4385965 0.4385965 -0.0000000), wk = 0.0027248 k( 91) = ( 0.4298246 0.4298246 -0.0000000), wk = 0.0027248 k( 92) = ( 0.4210526 0.4210526 -0.0000000), wk = 0.0027248 k( 93) = ( 0.4122807 0.4122807 -0.0000000), wk = 0.0027248 k( 94) = ( 0.4035088 0.4035088 -0.0000000), wk = 0.0027248 k( 95) = ( 0.3947368 0.3947368 -0.0000000), wk = 0.0027248 k( 96) = ( 0.3859649 0.3859649 -0.0000000), wk = 0.0027248 k( 97) = ( 0.3771930 0.3771930 -0.0000000), wk = 0.0027248 k( 98) = ( 0.3684211 0.3684210 -0.0000000), wk = 0.0027248 k( 99) = ( 0.3596491 0.3596491 -0.0000000), wk = 0.0027248 k( 100) = ( 0.3508772 0.3508772 -0.0000000), wk = 0.0027248 k( 101) = ( 0.3421053 0.3421053 -0.0000000), wk = 0.0027248 k( 102) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0027248 k( 103) = ( 0.3245614 0.3245614 -0.0000000), wk = 0.0027248 k( 104) = ( 0.3157895 0.3157895 -0.0000000), wk = 0.0027248 k( 105) = ( 0.3070175 0.3070175 -0.0000000), wk = 0.0027248 k( 106) = ( 0.2982456 0.2982456 -0.0000000), wk = 0.0027248 k( 107) = ( 0.2894737 0.2894737 -0.0000000), wk = 0.0027248 k( 108) = ( 0.2807018 0.2807017 -0.0000000), wk = 0.0027248 k( 109) = ( 0.2719298 0.2719298 -0.0000000), wk = 0.0027248 k( 110) = ( 0.2631579 0.2631579 -0.0000000), wk = 0.0027248 k( 111) = ( 0.2543860 0.2543860 -0.0000000), wk = 0.0027248 k( 112) = ( 0.2456140 0.2456140 -0.0000000), wk = 0.0027248 k( 113) = ( 0.2368421 0.2368421 -0.0000000), wk = 0.0027248 k( 114) = ( 0.2280702 0.2280702 -0.0000000), wk = 0.0027248 k( 115) = ( 0.2192983 0.2192982 -0.0000000), wk = 0.0027248 k( 116) = ( 0.2105263 0.2105263 -0.0000000), wk = 0.0027248 k( 117) = ( 0.2017544 0.2017544 -0.0000000), wk = 0.0027248 k( 118) = ( 0.1929825 0.1929825 -0.0000000), wk = 0.0027248 k( 119) = ( 0.1842105 0.1842105 -0.0000000), wk = 0.0027248 k( 120) = ( 0.1754386 0.1754386 -0.0000000), wk = 0.0027248 k( 121) = ( 0.1666667 0.1666667 -0.0000000), wk = 0.0027248 k( 122) = ( 0.1578947 0.1578947 -0.0000000), wk = 0.0027248 k( 123) = ( 0.1491228 0.1491228 -0.0000000), wk = 0.0027248 k( 124) = ( 0.1403509 0.1403509 -0.0000000), wk = 0.0027248 k( 125) = ( 0.1315790 0.1315790 -0.0000000), wk = 0.0027248 k( 126) = ( 0.1228070 0.1228070 -0.0000000), wk = 0.0027248 k( 127) = ( 0.1140351 0.1140351 -0.0000000), wk = 0.0027248 k( 128) = ( 0.1052632 0.1052632 -0.0000000), wk = 0.0027248 k( 129) = ( 0.0964912 0.0964912 -0.0000000), wk = 0.0027248 k( 130) = ( 0.0877193 0.0877193 -0.0000000), wk = 0.0027248 k( 131) = ( 0.0789474 0.0789474 -0.0000000), wk = 0.0027248 k( 132) = ( 0.0701754 0.0701754 -0.0000000), wk = 0.0027248 k( 133) = ( 0.0614035 0.0614035 -0.0000000), wk = 0.0027248 k( 134) = ( 0.0526316 0.0526316 -0.0000000), wk = 0.0027248 k( 135) = ( 0.0438597 0.0438596 -0.0000000), wk = 0.0027248 k( 136) = ( 0.0350877 0.0350877 -0.0000000), wk = 0.0027248 k( 137) = ( 0.0263158 0.0263158 -0.0000000), wk = 0.0027248 k( 138) = ( 0.0175439 0.0175439 -0.0000000), wk = 0.0027248 k( 139) = ( 0.0087719 0.0087719 -0.0000000), wk = 0.0027248 k( 140) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027248 k( 141) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027248 k( 142) = ( 0.0000000 0.0000000 0.0124497), wk = 0.0027248 k( 143) = ( 0.0000000 0.0000000 0.0248994), wk = 0.0027248 k( 144) = ( 0.0000000 0.0000000 0.0373491), wk = 0.0027248 k( 145) = ( 0.0000000 0.0000000 0.0497988), wk = 0.0027248 k( 146) = ( 0.0000000 0.0000000 0.0622485), wk = 0.0027248 k( 147) = ( 0.0000000 0.0000000 0.0746982), wk = 0.0027248 k( 148) = ( 0.0000000 0.0000000 0.0871479), wk = 0.0027248 k( 149) = ( 0.0000000 0.0000000 0.0995976), wk = 0.0027248 k( 150) = ( 0.0000000 0.0000000 0.1120473), wk = 0.0027248 k( 151) = ( 0.0000000 0.0000000 0.1244970), wk = 0.0027248 k( 152) = ( 0.0000000 0.0000000 0.1369467), wk = 0.0027248 k( 153) = ( 0.0000000 0.0000000 0.1493964), wk = 0.0027248 k( 154) = ( 0.0000000 0.0000000 0.1618461), wk = 0.0027248 k( 155) = ( 0.0000000 0.0000000 0.1742958), wk = 0.0027248 k( 156) = ( 0.0000000 0.0000000 0.1867455), wk = 0.0027248 k( 157) = ( 0.0000000 0.0000000 0.1991952), wk = 0.0027248 k( 158) = ( 0.0000000 0.0000000 0.2116449), wk = 0.0027248 k( 159) = ( 0.0000000 0.0000000 0.2240946), wk = 0.0027248 k( 160) = ( 0.0000000 0.0000000 0.2365443), wk = 0.0027248 k( 161) = ( 0.0000000 0.0000000 0.2489940), wk = 0.0027248 k( 162) = ( 0.0000000 0.0000000 0.2614437), wk = 0.0027248 k( 163) = ( 0.0000000 0.0000000 0.2738934), wk = 0.0027248 k( 164) = ( 0.0000000 0.0000000 0.2863431), wk = 0.0027248 k( 165) = ( 0.0000000 0.0000000 0.2987928), wk = 0.0027248 k( 166) = ( 0.0000000 0.0000000 0.3112425), wk = 0.0027248 k( 167) = ( 0.0000000 0.0000000 0.3236921), wk = 0.0027248 k( 168) = ( 0.0000000 0.0000000 0.3361419), wk = 0.0027248 k( 169) = ( 0.0000000 0.0000000 0.3485915), wk = 0.0027248 k( 170) = ( 0.0000000 0.0000000 0.3485915), wk = 0.0027248 k( 171) = ( 0.0000000 0.0125000 0.3485915), wk = 0.0027248 k( 172) = ( 0.0000000 0.0250000 0.3485915), wk = 0.0027248 k( 173) = ( 0.0000000 0.0375000 0.3485915), wk = 0.0027248 k( 174) = ( 0.0000000 0.0500000 0.3485915), wk = 0.0027248 k( 175) = ( 0.0000000 0.0625000 0.3485915), wk = 0.0027248 k( 176) = ( 0.0000000 0.0750000 0.3485915), wk = 0.0027248 k( 177) = ( 0.0000000 0.0875000 0.3485915), wk = 0.0027248 k( 178) = ( 0.0000000 0.1000000 0.3485915), wk = 0.0027248 k( 179) = ( 0.0000000 0.1125000 0.3485915), wk = 0.0027248 k( 180) = ( 0.0000000 0.1250000 0.3485915), wk = 0.0027248 k( 181) = ( 0.0000000 0.1375000 0.3485915), wk = 0.0027248 k( 182) = ( 0.0000000 0.1500000 0.3485915), wk = 0.0027248 k( 183) = ( 0.0000000 0.1625000 0.3485915), wk = 0.0027248 k( 184) = ( 0.0000000 0.1750000 0.3485915), wk = 0.0027248 k( 185) = ( 0.0000000 0.1875000 0.3485915), wk = 0.0027248 k( 186) = ( 0.0000000 0.2000000 0.3485915), wk = 0.0027248 k( 187) = ( 0.0000000 0.2125000 0.3485915), wk = 0.0027248 k( 188) = ( 0.0000000 0.2250000 0.3485915), wk = 0.0027248 k( 189) = ( 0.0000000 0.2375000 0.3485915), wk = 0.0027248 k( 190) = ( 0.0000000 0.2500000 0.3485915), wk = 0.0027248 k( 191) = ( 0.0000000 0.2625000 0.3485915), wk = 0.0027248 k( 192) = ( 0.0000000 0.2750000 0.3485915), wk = 0.0027248 k( 193) = ( 0.0000000 0.2875000 0.3485915), wk = 0.0027248 k( 194) = ( 0.0000000 0.3000000 0.3485915), wk = 0.0027248 k( 195) = ( 0.0000000 0.3125000 0.3485915), wk = 0.0027248 k( 196) = ( 0.0000000 0.3250000 0.3485915), wk = 0.0027248 k( 197) = ( 0.0000000 0.3375000 0.3485915), wk = 0.0027248 k( 198) = ( 0.0000000 0.3500000 0.3485915), wk = 0.0027248 k( 199) = ( 0.0000000 0.3625000 0.3485915), wk = 0.0027248 k( 200) = ( 0.0000000 0.3750000 0.3485915), wk = 0.0027248 k( 201) = ( 0.0000000 0.3875000 0.3485915), wk = 0.0027248 k( 202) = ( 0.0000000 0.4000000 0.3485915), wk = 0.0027248 k( 203) = ( 0.0000000 0.4125000 0.3485915), wk = 0.0027248 k( 204) = ( 0.0000000 0.4250000 0.3485915), wk = 0.0027248 k( 205) = ( 0.0000000 0.4375000 0.3485915), wk = 0.0027248 k( 206) = ( 0.0000000 0.4500000 0.3485915), wk = 0.0027248 k( 207) = ( 0.0000000 0.4625000 0.3485915), wk = 0.0027248 k( 208) = ( 0.0000000 0.4750000 0.3485915), wk = 0.0027248 k( 209) = ( 0.0000000 0.4875000 0.3485915), wk = 0.0027248 k( 210) = ( 0.0000000 0.5000000 0.3485915), wk = 0.0027248 k( 211) = ( 0.0000000 0.5000000 0.3485915), wk = 0.0027248 k( 212) = ( 0.0125000 0.5000000 0.3485915), wk = 0.0027248 k( 213) = ( 0.0250000 0.5000000 0.3485915), wk = 0.0027248 k( 214) = ( 0.0375000 0.5000000 0.3485915), wk = 0.0027248 k( 215) = ( 0.0500000 0.5000000 0.3485915), wk = 0.0027248 k( 216) = ( 0.0625000 0.5000000 0.3485915), wk = 0.0027248 k( 217) = ( 0.0750000 0.5000000 0.3485915), wk = 0.0027248 k( 218) = ( 0.0875000 0.5000000 0.3485915), wk = 0.0027248 k( 219) = ( 0.1000000 0.5000000 0.3485915), wk = 0.0027248 k( 220) = ( 0.1125000 0.5000000 0.3485915), wk = 0.0027248 k( 221) = ( 0.1250000 0.5000000 0.3485915), wk = 0.0027248 k( 222) = ( 0.1375000 0.5000000 0.3485915), wk = 0.0027248 k( 223) = ( 0.1500000 0.5000000 0.3485915), wk = 0.0027248 k( 224) = ( 0.1625000 0.5000000 0.3485915), wk = 0.0027248 k( 225) = ( 0.1750000 0.5000000 0.3485915), wk = 0.0027248 k( 226) = ( 0.1875000 0.5000000 0.3485915), wk = 0.0027248 k( 227) = ( 0.2000000 0.5000000 0.3485915), wk = 0.0027248 k( 228) = ( 0.2125000 0.5000000 0.3485915), wk = 0.0027248 k( 229) = ( 0.2250000 0.5000000 0.3485915), wk = 0.0027248 k( 230) = ( 0.2375000 0.5000000 0.3485915), wk = 0.0027248 k( 231) = ( 0.2500000 0.5000000 0.3485915), wk = 0.0027248 k( 232) = ( 0.2625000 0.5000000 0.3485915), wk = 0.0027248 k( 233) = ( 0.2750000 0.5000000 0.3485915), wk = 0.0027248 k( 234) = ( 0.2875000 0.5000000 0.3485915), wk = 0.0027248 k( 235) = ( 0.3000000 0.5000000 0.3485915), wk = 0.0027248 k( 236) = ( 0.3125000 0.5000000 0.3485915), wk = 0.0027248 k( 237) = ( 0.3250000 0.5000000 0.3485915), wk = 0.0027248 k( 238) = ( 0.3375000 0.5000000 0.3485915), wk = 0.0027248 k( 239) = ( 0.3500000 0.5000000 0.3485915), wk = 0.0027248 k( 240) = ( 0.3625000 0.5000000 0.3485915), wk = 0.0027248 k( 241) = ( 0.3750000 0.5000000 0.3485915), wk = 0.0027248 k( 242) = ( 0.3875000 0.5000000 0.3485915), wk = 0.0027248 k( 243) = ( 0.4000000 0.5000000 0.3485915), wk = 0.0027248 k( 244) = ( 0.4125000 0.5000000 0.3485915), wk = 0.0027248 k( 245) = ( 0.4250000 0.5000000 0.3485915), wk = 0.0027248 k( 246) = ( 0.4375000 0.5000000 0.3485915), wk = 0.0027248 k( 247) = ( 0.4500000 0.5000000 0.3485915), wk = 0.0027248 k( 248) = ( 0.4625000 0.5000000 0.3485915), wk = 0.0027248 k( 249) = ( 0.4750000 0.5000000 0.3485915), wk = 0.0027248 k( 250) = ( 0.4875000 0.5000000 0.3485915), wk = 0.0027248 k( 251) = ( 0.5000000 0.5000000 0.3485915), wk = 0.0027248 k( 252) = ( 0.5000000 0.5000000 0.3485915), wk = 0.0027248 k( 253) = ( 0.4912281 0.4912281 0.3485915), wk = 0.0027248 k( 254) = ( 0.4824561 0.4824561 0.3485915), wk = 0.0027248 k( 255) = ( 0.4736842 0.4736842 0.3485915), wk = 0.0027248 k( 256) = ( 0.4649123 0.4649123 0.3485915), wk = 0.0027248 k( 257) = ( 0.4561404 0.4561403 0.3485915), wk = 0.0027248 k( 258) = ( 0.4473684 0.4473684 0.3485915), wk = 0.0027248 k( 259) = ( 0.4385965 0.4385965 0.3485915), wk = 0.0027248 k( 260) = ( 0.4298246 0.4298246 0.3485915), wk = 0.0027248 k( 261) = ( 0.4210526 0.4210526 0.3485915), wk = 0.0027248 k( 262) = ( 0.4122807 0.4122807 0.3485915), wk = 0.0027248 k( 263) = ( 0.4035088 0.4035088 0.3485915), wk = 0.0027248 k( 264) = ( 0.3947368 0.3947368 0.3485915), wk = 0.0027248 k( 265) = ( 0.3859649 0.3859649 0.3485915), wk = 0.0027248 k( 266) = ( 0.3771930 0.3771930 0.3485915), wk = 0.0027248 k( 267) = ( 0.3684211 0.3684210 0.3485915), wk = 0.0027248 k( 268) = ( 0.3596491 0.3596491 0.3485915), wk = 0.0027248 k( 269) = ( 0.3508772 0.3508772 0.3485915), wk = 0.0027248 k( 270) = ( 0.3421053 0.3421053 0.3485915), wk = 0.0027248 k( 271) = ( 0.3333333 0.3333333 0.3485915), wk = 0.0027248 k( 272) = ( 0.3245614 0.3245614 0.3485915), wk = 0.0027248 k( 273) = ( 0.3157895 0.3157895 0.3485915), wk = 0.0027248 k( 274) = ( 0.3070175 0.3070175 0.3485915), wk = 0.0027248 k( 275) = ( 0.2982456 0.2982456 0.3485915), wk = 0.0027248 k( 276) = ( 0.2894737 0.2894737 0.3485915), wk = 0.0027248 k( 277) = ( 0.2807018 0.2807017 0.3485915), wk = 0.0027248 k( 278) = ( 0.2719298 0.2719298 0.3485915), wk = 0.0027248 k( 279) = ( 0.2631579 0.2631579 0.3485915), wk = 0.0027248 k( 280) = ( 0.2543860 0.2543860 0.3485915), wk = 0.0027248 k( 281) = ( 0.2456140 0.2456140 0.3485915), wk = 0.0027248 k( 282) = ( 0.2368421 0.2368421 0.3485915), wk = 0.0027248 k( 283) = ( 0.2280702 0.2280702 0.3485915), wk = 0.0027248 k( 284) = ( 0.2192983 0.2192982 0.3485915), wk = 0.0027248 k( 285) = ( 0.2105263 0.2105263 0.3485915), wk = 0.0027248 k( 286) = ( 0.2017544 0.2017544 0.3485915), wk = 0.0027248 k( 287) = ( 0.1929825 0.1929825 0.3485915), wk = 0.0027248 k( 288) = ( 0.1842105 0.1842105 0.3485915), wk = 0.0027248 k( 289) = ( 0.1754386 0.1754386 0.3485915), wk = 0.0027248 k( 290) = ( 0.1666667 0.1666667 0.3485915), wk = 0.0027248 k( 291) = ( 0.1578947 0.1578947 0.3485915), wk = 0.0027248 k( 292) = ( 0.1491228 0.1491228 0.3485915), wk = 0.0027248 k( 293) = ( 0.1403509 0.1403509 0.3485915), wk = 0.0027248 k( 294) = ( 0.1315790 0.1315790 0.3485915), wk = 0.0027248 k( 295) = ( 0.1228070 0.1228070 0.3485915), wk = 0.0027248 k( 296) = ( 0.1140351 0.1140351 0.3485915), wk = 0.0027248 k( 297) = ( 0.1052632 0.1052632 0.3485915), wk = 0.0027248 k( 298) = ( 0.0964912 0.0964912 0.3485915), wk = 0.0027248 k( 299) = ( 0.0877193 0.0877193 0.3485915), wk = 0.0027248 k( 300) = ( 0.0789474 0.0789474 0.3485915), wk = 0.0027248 k( 301) = ( 0.0701754 0.0701754 0.3485915), wk = 0.0027248 k( 302) = ( 0.0614035 0.0614035 0.3485915), wk = 0.0027248 k( 303) = ( 0.0526316 0.0526316 0.3485915), wk = 0.0027248 k( 304) = ( 0.0438597 0.0438596 0.3485915), wk = 0.0027248 k( 305) = ( 0.0350877 0.0350877 0.3485915), wk = 0.0027248 k( 306) = ( 0.0263158 0.0263158 0.3485915), wk = 0.0027248 k( 307) = ( 0.0175439 0.0175439 0.3485915), wk = 0.0027248 k( 308) = ( 0.0087719 0.0087719 0.3485915), wk = 0.0027248 k( 309) = ( 0.0000000 0.0000000 0.3485915), wk = 0.0027248 k( 310) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0027248 k( 311) = ( 0.0000000 0.5000000 0.0124497), wk = 0.0027248 k( 312) = ( 0.0000000 0.5000000 0.0248994), wk = 0.0027248 k( 313) = ( 0.0000000 0.5000000 0.0373491), wk = 0.0027248 k( 314) = ( 0.0000000 0.5000000 0.0497988), wk = 0.0027248 k( 315) = ( 0.0000000 0.5000000 0.0622485), wk = 0.0027248 k( 316) = ( 0.0000000 0.5000000 0.0746982), wk = 0.0027248 k( 317) = ( 0.0000000 0.5000000 0.0871479), wk = 0.0027248 k( 318) = ( 0.0000000 0.5000000 0.0995976), wk = 0.0027248 k( 319) = ( 0.0000000 0.5000000 0.1120473), wk = 0.0027248 k( 320) = ( 0.0000000 0.5000000 0.1244970), wk = 0.0027248 k( 321) = ( 0.0000000 0.5000000 0.1369467), wk = 0.0027248 k( 322) = ( 0.0000000 0.5000000 0.1493964), wk = 0.0027248 k( 323) = ( 0.0000000 0.5000000 0.1618461), wk = 0.0027248 k( 324) = ( 0.0000000 0.5000000 0.1742958), wk = 0.0027248 k( 325) = ( 0.0000000 0.5000000 0.1867455), wk = 0.0027248 k( 326) = ( 0.0000000 0.5000000 0.1991952), wk = 0.0027248 k( 327) = ( 0.0000000 0.5000000 0.2116449), wk = 0.0027248 k( 328) = ( 0.0000000 0.5000000 0.2240946), wk = 0.0027248 k( 329) = ( 0.0000000 0.5000000 0.2365443), wk = 0.0027248 k( 330) = ( 0.0000000 0.5000000 0.2489940), wk = 0.0027248 k( 331) = ( 0.0000000 0.5000000 0.2614437), wk = 0.0027248 k( 332) = ( 0.0000000 0.5000000 0.2738934), wk = 0.0027248 k( 333) = ( 0.0000000 0.5000000 0.2863431), wk = 0.0027248 k( 334) = ( 0.0000000 0.5000000 0.2987928), wk = 0.0027248 k( 335) = ( 0.0000000 0.5000000 0.3112425), wk = 0.0027248 k( 336) = ( 0.0000000 0.5000000 0.3236921), wk = 0.0027248 k( 337) = ( 0.0000000 0.5000000 0.3361419), wk = 0.0027248 k( 338) = ( 0.0000000 0.5000000 0.3485915), wk = 0.0027248 k( 339) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0027248 k( 340) = ( 0.5000000 0.5000000 0.0124497), wk = 0.0027248 k( 341) = ( 0.5000000 0.5000000 0.0248994), wk = 0.0027248 k( 342) = ( 0.5000000 0.5000000 0.0373491), wk = 0.0027248 k( 343) = ( 0.5000000 0.5000000 0.0497988), wk = 0.0027248 k( 344) = ( 0.5000000 0.5000000 0.0622485), wk = 0.0027248 k( 345) = ( 0.5000000 0.5000000 0.0746982), wk = 0.0027248 k( 346) = ( 0.5000000 0.5000000 0.0871479), wk = 0.0027248 k( 347) = ( 0.5000000 0.5000000 0.0995976), wk = 0.0027248 k( 348) = ( 0.5000000 0.5000000 0.1120473), wk = 0.0027248 k( 349) = ( 0.5000000 0.5000000 0.1244970), wk = 0.0027248 k( 350) = ( 0.5000000 0.5000000 0.1369467), wk = 0.0027248 k( 351) = ( 0.5000000 0.5000000 0.1493964), wk = 0.0027248 k( 352) = ( 0.5000000 0.5000000 0.1618461), wk = 0.0027248 k( 353) = ( 0.5000000 0.5000000 0.1742958), wk = 0.0027248 k( 354) = ( 0.5000000 0.5000000 0.1867455), wk = 0.0027248 k( 355) = ( 0.5000000 0.5000000 0.1991952), wk = 0.0027248 k( 356) = ( 0.5000000 0.5000000 0.2116449), wk = 0.0027248 k( 357) = ( 0.5000000 0.5000000 0.2240946), wk = 0.0027248 k( 358) = ( 0.5000000 0.5000000 0.2365443), wk = 0.0027248 k( 359) = ( 0.5000000 0.5000000 0.2489940), wk = 0.0027248 k( 360) = ( 0.5000000 0.5000000 0.2614437), wk = 0.0027248 k( 361) = ( 0.5000000 0.5000000 0.2738934), wk = 0.0027248 k( 362) = ( 0.5000000 0.5000000 0.2863431), wk = 0.0027248 k( 363) = ( 0.5000000 0.5000000 0.2987928), wk = 0.0027248 k( 364) = ( 0.5000000 0.5000000 0.3112425), wk = 0.0027248 k( 365) = ( 0.5000000 0.5000000 0.3236921), wk = 0.0027248 k( 366) = ( 0.5000000 0.5000000 0.3361419), wk = 0.0027248 k( 367) = ( 0.5000000 0.5000000 0.3485915), wk = 0.0027248 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027248 k( 2) = ( 0.0000000 0.0125000 0.0000000), wk = 0.0027248 k( 3) = ( 0.0000000 0.0250000 0.0000000), wk = 0.0027248 k( 4) = ( 0.0000000 0.0375000 0.0000000), wk = 0.0027248 k( 5) = ( 0.0000000 0.0500000 0.0000000), wk = 0.0027248 k( 6) = ( 0.0000000 0.0625000 0.0000000), wk = 0.0027248 k( 7) = ( 0.0000000 0.0750000 0.0000000), wk = 0.0027248 k( 8) = ( 0.0000000 0.0875000 -0.0000000), wk = 0.0027248 k( 9) = ( 0.0000000 0.1000000 0.0000000), wk = 0.0027248 k( 10) = ( 0.0000000 0.1125000 0.0000000), wk = 0.0027248 k( 11) = ( 0.0000000 0.1250000 0.0000000), wk = 0.0027248 k( 12) = ( 0.0000000 0.1375000 -0.0000000), wk = 0.0027248 k( 13) = ( 0.0000000 0.1500000 0.0000000), wk = 0.0027248 k( 14) = ( 0.0000000 0.1625000 -0.0000000), wk = 0.0027248 k( 15) = ( 0.0000000 0.1750000 -0.0000000), wk = 0.0027248 k( 16) = ( 0.0000000 0.1875000 0.0000000), wk = 0.0027248 k( 17) = ( 0.0000000 0.2000000 0.0000000), wk = 0.0027248 k( 18) = ( 0.0000000 0.2125000 0.0000000), wk = 0.0027248 k( 19) = ( 0.0000000 0.2250000 0.0000000), wk = 0.0027248 k( 20) = ( 0.0000000 0.2375000 0.0000000), wk = 0.0027248 k( 21) = ( 0.0000000 0.2500000 0.0000000), wk = 0.0027248 k( 22) = ( 0.0000000 0.2625000 -0.0000000), wk = 0.0027248 k( 23) = ( 0.0000000 0.2750000 -0.0000000), wk = 0.0027248 k( 24) = ( 0.0000000 0.2875000 -0.0000000), wk = 0.0027248 k( 25) = ( 0.0000000 0.3000000 0.0000000), wk = 0.0027248 k( 26) = ( 0.0000000 0.3125000 -0.0000000), wk = 0.0027248 k( 27) = ( 0.0000000 0.3250000 -0.0000000), wk = 0.0027248 k( 28) = ( 0.0000000 0.3375000 -0.0000000), wk = 0.0027248 k( 29) = ( 0.0000000 0.3500000 -0.0000000), wk = 0.0027248 k( 30) = ( 0.0000000 0.3625000 -0.0000000), wk = 0.0027248 k( 31) = ( 0.0000000 0.3750000 0.0000000), wk = 0.0027248 k( 32) = ( 0.0000000 0.3875000 0.0000000), wk = 0.0027248 k( 33) = ( 0.0000000 0.4000000 0.0000000), wk = 0.0027248 k( 34) = ( 0.0000000 0.4125000 0.0000000), wk = 0.0027248 k( 35) = ( 0.0000000 0.4250000 0.0000000), wk = 0.0027248 k( 36) = ( 0.0000000 0.4375000 0.0000000), wk = 0.0027248 k( 37) = ( 0.0000000 0.4500000 0.0000000), wk = 0.0027248 k( 38) = ( 0.0000000 0.4625000 -0.0000000), wk = 0.0027248 k( 39) = ( 0.0000000 0.4750000 0.0000000), wk = 0.0027248 k( 40) = ( 0.0000000 0.4875000 0.0000000), wk = 0.0027248 k( 41) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0027248 k( 42) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0027248 k( 43) = ( 0.0125000 0.5000000 0.0000000), wk = 0.0027248 k( 44) = ( 0.0250000 0.5000000 0.0000000), wk = 0.0027248 k( 45) = ( 0.0375000 0.5000000 0.0000000), wk = 0.0027248 k( 46) = ( 0.0500000 0.5000000 0.0000000), wk = 0.0027248 k( 47) = ( 0.0625000 0.5000000 0.0000000), wk = 0.0027248 k( 48) = ( 0.0750000 0.5000000 0.0000000), wk = 0.0027248 k( 49) = ( 0.0875000 0.5000000 0.0000000), wk = 0.0027248 k( 50) = ( 0.1000000 0.5000000 0.0000000), wk = 0.0027248 k( 51) = ( 0.1125000 0.5000000 0.0000000), wk = 0.0027248 k( 52) = ( 0.1250000 0.5000000 0.0000000), wk = 0.0027248 k( 53) = ( 0.1375000 0.5000000 0.0000000), wk = 0.0027248 k( 54) = ( 0.1500000 0.5000000 0.0000000), wk = 0.0027248 k( 55) = ( 0.1625000 0.5000000 0.0000000), wk = 0.0027248 k( 56) = ( 0.1750000 0.5000000 -0.0000000), wk = 0.0027248 k( 57) = ( 0.1875000 0.5000000 0.0000000), wk = 0.0027248 k( 58) = ( 0.2000000 0.5000000 -0.0000000), wk = 0.0027248 k( 59) = ( 0.2125000 0.5000000 -0.0000000), wk = 0.0027248 k( 60) = ( 0.2250000 0.5000000 0.0000000), wk = 0.0027248 k( 61) = ( 0.2375000 0.5000000 -0.0000000), wk = 0.0027248 k( 62) = ( 0.2500000 0.5000000 0.0000000), wk = 0.0027248 k( 63) = ( 0.2625000 0.5000000 0.0000000), wk = 0.0027248 k( 64) = ( 0.2750000 0.5000000 0.0000000), wk = 0.0027248 k( 65) = ( 0.2875000 0.5000000 0.0000000), wk = 0.0027248 k( 66) = ( 0.3000000 0.5000000 0.0000000), wk = 0.0027248 k( 67) = ( 0.3125000 0.5000000 0.0000000), wk = 0.0027248 k( 68) = ( 0.3250000 0.5000000 0.0000000), wk = 0.0027248 k( 69) = ( 0.3375000 0.5000000 0.0000000), wk = 0.0027248 k( 70) = ( 0.3500000 0.5000000 0.0000000), wk = 0.0027248 k( 71) = ( 0.3625000 0.5000000 0.0000000), wk = 0.0027248 k( 72) = ( 0.3750000 0.5000000 -0.0000000), wk = 0.0027248 k( 73) = ( 0.3875000 0.5000000 0.0000000), wk = 0.0027248 k( 74) = ( 0.4000000 0.5000000 -0.0000000), wk = 0.0027248 k( 75) = ( 0.4125000 0.5000000 0.0000000), wk = 0.0027248 k( 76) = ( 0.4250000 0.5000000 -0.0000000), wk = 0.0027248 k( 77) = ( 0.4375000 0.5000000 0.0000000), wk = 0.0027248 k( 78) = ( 0.4500000 0.5000000 -0.0000000), wk = 0.0027248 k( 79) = ( 0.4625000 0.5000000 0.0000000), wk = 0.0027248 k( 80) = ( 0.4750000 0.5000000 0.0000000), wk = 0.0027248 k( 81) = ( 0.4875000 0.5000000 0.0000000), wk = 0.0027248 k( 82) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0027248 k( 83) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0027248 k( 84) = ( 0.4912281 0.4912281 0.0000000), wk = 0.0027248 k( 85) = ( 0.4824561 0.4824561 0.0000000), wk = 0.0027248 k( 86) = ( 0.4736842 0.4736842 0.0000000), wk = 0.0027248 k( 87) = ( 0.4649123 0.4649123 0.0000000), wk = 0.0027248 k( 88) = ( 0.4561404 0.4561404 0.0000000), wk = 0.0027248 k( 89) = ( 0.4473684 0.4473684 0.0000000), wk = 0.0027248 k( 90) = ( 0.4385965 0.4385965 0.0000000), wk = 0.0027248 k( 91) = ( 0.4298246 0.4298246 0.0000000), wk = 0.0027248 k( 92) = ( 0.4210526 0.4210526 -0.0000000), wk = 0.0027248 k( 93) = ( 0.4122807 0.4122807 0.0000000), wk = 0.0027248 k( 94) = ( 0.4035088 0.4035088 -0.0000000), wk = 0.0027248 k( 95) = ( 0.3947368 0.3947368 0.0000000), wk = 0.0027248 k( 96) = ( 0.3859649 0.3859649 0.0000000), wk = 0.0027248 k( 97) = ( 0.3771930 0.3771930 0.0000000), wk = 0.0027248 k( 98) = ( 0.3684211 0.3684211 0.0000000), wk = 0.0027248 k( 99) = ( 0.3596491 0.3596491 -0.0000000), wk = 0.0027248 k( 100) = ( 0.3508772 0.3508772 0.0000000), wk = 0.0027248 k( 101) = ( 0.3421053 0.3421053 0.0000000), wk = 0.0027248 k( 102) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0027248 k( 103) = ( 0.3245614 0.3245614 -0.0000000), wk = 0.0027248 k( 104) = ( 0.3157895 0.3157895 -0.0000000), wk = 0.0027248 k( 105) = ( 0.3070175 0.3070175 0.0000000), wk = 0.0027248 k( 106) = ( 0.2982456 0.2982456 0.0000000), wk = 0.0027248 k( 107) = ( 0.2894737 0.2894737 0.0000000), wk = 0.0027248 k( 108) = ( 0.2807018 0.2807018 -0.0000000), wk = 0.0027248 k( 109) = ( 0.2719298 0.2719298 0.0000000), wk = 0.0027248 k( 110) = ( 0.2631579 0.2631579 0.0000000), wk = 0.0027248 k( 111) = ( 0.2543860 0.2543860 0.0000000), wk = 0.0027248 k( 112) = ( 0.2456140 0.2456140 0.0000000), wk = 0.0027248 k( 113) = ( 0.2368421 0.2368421 0.0000000), wk = 0.0027248 k( 114) = ( 0.2280702 0.2280702 0.0000000), wk = 0.0027248 k( 115) = ( 0.2192983 0.2192983 0.0000000), wk = 0.0027248 k( 116) = ( 0.2105263 0.2105263 0.0000000), wk = 0.0027248 k( 117) = ( 0.2017544 0.2017544 0.0000000), wk = 0.0027248 k( 118) = ( 0.1929825 0.1929825 0.0000000), wk = 0.0027248 k( 119) = ( 0.1842105 0.1842105 -0.0000000), wk = 0.0027248 k( 120) = ( 0.1754386 0.1754386 0.0000000), wk = 0.0027248 k( 121) = ( 0.1666667 0.1666667 0.0000000), wk = 0.0027248 k( 122) = ( 0.1578947 0.1578947 0.0000000), wk = 0.0027248 k( 123) = ( 0.1491228 0.1491228 -0.0000000), wk = 0.0027248 k( 124) = ( 0.1403509 0.1403509 -0.0000000), wk = 0.0027248 k( 125) = ( 0.1315790 0.1315790 0.0000000), wk = 0.0027248 k( 126) = ( 0.1228070 0.1228070 0.0000000), wk = 0.0027248 k( 127) = ( 0.1140351 0.1140351 0.0000000), wk = 0.0027248 k( 128) = ( 0.1052632 0.1052632 0.0000000), wk = 0.0027248 k( 129) = ( 0.0964912 0.0964912 0.0000000), wk = 0.0027248 k( 130) = ( 0.0877193 0.0877193 0.0000000), wk = 0.0027248 k( 131) = ( 0.0789474 0.0789474 0.0000000), wk = 0.0027248 k( 132) = ( 0.0701754 0.0701754 -0.0000000), wk = 0.0027248 k( 133) = ( 0.0614035 0.0614035 0.0000000), wk = 0.0027248 k( 134) = ( 0.0526316 0.0526316 0.0000000), wk = 0.0027248 k( 135) = ( 0.0438597 0.0438597 0.0000000), wk = 0.0027248 k( 136) = ( 0.0350877 0.0350877 -0.0000000), wk = 0.0027248 k( 137) = ( 0.0263158 0.0263158 0.0000000), wk = 0.0027248 k( 138) = ( 0.0175439 0.0175439 -0.0000000), wk = 0.0027248 k( 139) = ( 0.0087719 0.0087719 -0.0000000), wk = 0.0027248 k( 140) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027248 k( 141) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027248 k( 142) = ( 0.0000000 0.0000000 0.0178571), wk = 0.0027248 k( 143) = ( 0.0000000 0.0000000 0.0357143), wk = 0.0027248 k( 144) = ( 0.0000000 0.0000000 0.0535714), wk = 0.0027248 k( 145) = ( 0.0000000 0.0000000 0.0714286), wk = 0.0027248 k( 146) = ( 0.0000000 0.0000000 0.0892857), wk = 0.0027248 k( 147) = ( 0.0000000 0.0000000 0.1071429), wk = 0.0027248 k( 148) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0027248 k( 149) = ( 0.0000000 0.0000000 0.1428571), wk = 0.0027248 k( 150) = ( 0.0000000 0.0000000 0.1607143), wk = 0.0027248 k( 151) = ( 0.0000000 0.0000000 0.1785714), wk = 0.0027248 k( 152) = ( 0.0000000 0.0000000 0.1964286), wk = 0.0027248 k( 153) = ( 0.0000000 0.0000000 0.2142857), wk = 0.0027248 k( 154) = ( 0.0000000 0.0000000 0.2321429), wk = 0.0027248 k( 155) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0027248 k( 156) = ( 0.0000000 0.0000000 0.2678571), wk = 0.0027248 k( 157) = ( 0.0000000 0.0000000 0.2857143), wk = 0.0027248 k( 158) = ( 0.0000000 0.0000000 0.3035714), wk = 0.0027248 k( 159) = ( 0.0000000 0.0000000 0.3214286), wk = 0.0027248 k( 160) = ( 0.0000000 0.0000000 0.3392857), wk = 0.0027248 k( 161) = ( 0.0000000 0.0000000 0.3571429), wk = 0.0027248 k( 162) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0027248 k( 163) = ( 0.0000000 0.0000000 0.3928571), wk = 0.0027248 k( 164) = ( 0.0000000 0.0000000 0.4107143), wk = 0.0027248 k( 165) = ( 0.0000000 0.0000000 0.4285714), wk = 0.0027248 k( 166) = ( 0.0000000 0.0000000 0.4464286), wk = 0.0027248 k( 167) = ( 0.0000000 0.0000000 0.4642857), wk = 0.0027248 k( 168) = ( 0.0000000 0.0000000 0.4821429), wk = 0.0027248 k( 169) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0027248 k( 170) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0027248 k( 171) = ( 0.0000000 0.0125000 0.5000000), wk = 0.0027248 k( 172) = ( 0.0000000 0.0250000 0.5000000), wk = 0.0027248 k( 173) = ( 0.0000000 0.0375000 0.5000000), wk = 0.0027248 k( 174) = ( 0.0000000 0.0500000 0.5000000), wk = 0.0027248 k( 175) = ( 0.0000000 0.0625000 0.5000000), wk = 0.0027248 k( 176) = ( 0.0000000 0.0750000 0.5000000), wk = 0.0027248 k( 177) = ( 0.0000000 0.0875000 0.5000000), wk = 0.0027248 k( 178) = ( 0.0000000 0.1000000 0.5000000), wk = 0.0027248 k( 179) = ( 0.0000000 0.1125000 0.5000000), wk = 0.0027248 k( 180) = ( 0.0000000 0.1250000 0.5000000), wk = 0.0027248 k( 181) = ( 0.0000000 0.1375000 0.5000000), wk = 0.0027248 k( 182) = ( 0.0000000 0.1500000 0.5000000), wk = 0.0027248 k( 183) = ( 0.0000000 0.1625000 0.5000000), wk = 0.0027248 k( 184) = ( 0.0000000 0.1750000 0.5000000), wk = 0.0027248 k( 185) = ( 0.0000000 0.1875000 0.5000000), wk = 0.0027248 k( 186) = ( 0.0000000 0.2000000 0.5000000), wk = 0.0027248 k( 187) = ( 0.0000000 0.2125000 0.5000000), wk = 0.0027248 k( 188) = ( 0.0000000 0.2250000 0.5000000), wk = 0.0027248 k( 189) = ( 0.0000000 0.2375000 0.5000000), wk = 0.0027248 k( 190) = ( 0.0000000 0.2500000 0.5000000), wk = 0.0027248 k( 191) = ( 0.0000000 0.2625000 0.5000000), wk = 0.0027248 k( 192) = ( 0.0000000 0.2750000 0.5000000), wk = 0.0027248 k( 193) = ( 0.0000000 0.2875000 0.5000000), wk = 0.0027248 k( 194) = ( 0.0000000 0.3000000 0.5000000), wk = 0.0027248 k( 195) = ( 0.0000000 0.3125000 0.5000000), wk = 0.0027248 k( 196) = ( 0.0000000 0.3250000 0.5000000), wk = 0.0027248 k( 197) = ( 0.0000000 0.3375000 0.5000000), wk = 0.0027248 k( 198) = ( 0.0000000 0.3500000 0.5000000), wk = 0.0027248 k( 199) = ( 0.0000000 0.3625000 0.5000000), wk = 0.0027248 k( 200) = ( 0.0000000 0.3750000 0.5000000), wk = 0.0027248 k( 201) = ( 0.0000000 0.3875000 0.5000000), wk = 0.0027248 k( 202) = ( 0.0000000 0.4000000 0.5000000), wk = 0.0027248 k( 203) = ( 0.0000000 0.4125000 0.5000000), wk = 0.0027248 k( 204) = ( 0.0000000 0.4250000 0.5000000), wk = 0.0027248 k( 205) = ( 0.0000000 0.4375000 0.5000000), wk = 0.0027248 k( 206) = ( 0.0000000 0.4500000 0.5000000), wk = 0.0027248 k( 207) = ( 0.0000000 0.4625000 0.5000000), wk = 0.0027248 k( 208) = ( 0.0000000 0.4750000 0.5000000), wk = 0.0027248 k( 209) = ( 0.0000000 0.4875000 0.5000000), wk = 0.0027248 k( 210) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0027248 k( 211) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0027248 k( 212) = ( 0.0125000 0.5000000 0.5000000), wk = 0.0027248 k( 213) = ( 0.0250000 0.5000000 0.5000000), wk = 0.0027248 k( 214) = ( 0.0375000 0.5000000 0.5000000), wk = 0.0027248 k( 215) = ( 0.0500000 0.5000000 0.5000000), wk = 0.0027248 k( 216) = ( 0.0625000 0.5000000 0.5000000), wk = 0.0027248 k( 217) = ( 0.0750000 0.5000000 0.5000000), wk = 0.0027248 k( 218) = ( 0.0875000 0.5000000 0.5000000), wk = 0.0027248 k( 219) = ( 0.1000000 0.5000000 0.5000000), wk = 0.0027248 k( 220) = ( 0.1125000 0.5000000 0.5000000), wk = 0.0027248 k( 221) = ( 0.1250000 0.5000000 0.5000000), wk = 0.0027248 k( 222) = ( 0.1375000 0.5000000 0.5000000), wk = 0.0027248 k( 223) = ( 0.1500000 0.5000000 0.5000000), wk = 0.0027248 k( 224) = ( 0.1625000 0.5000000 0.5000000), wk = 0.0027248 k( 225) = ( 0.1750000 0.5000000 0.5000000), wk = 0.0027248 k( 226) = ( 0.1875000 0.5000000 0.5000000), wk = 0.0027248 k( 227) = ( 0.2000000 0.5000000 0.5000000), wk = 0.0027248 k( 228) = ( 0.2125000 0.5000000 0.5000000), wk = 0.0027248 k( 229) = ( 0.2250000 0.5000000 0.5000000), wk = 0.0027248 k( 230) = ( 0.2375000 0.5000000 0.5000000), wk = 0.0027248 k( 231) = ( 0.2500000 0.5000000 0.5000000), wk = 0.0027248 k( 232) = ( 0.2625000 0.5000000 0.5000000), wk = 0.0027248 k( 233) = ( 0.2750000 0.5000000 0.5000000), wk = 0.0027248 k( 234) = ( 0.2875000 0.5000000 0.5000000), wk = 0.0027248 k( 235) = ( 0.3000000 0.5000000 0.5000000), wk = 0.0027248 k( 236) = ( 0.3125000 0.5000000 0.5000000), wk = 0.0027248 k( 237) = ( 0.3250000 0.5000000 0.5000000), wk = 0.0027248 k( 238) = ( 0.3375000 0.5000000 0.5000000), wk = 0.0027248 k( 239) = ( 0.3500000 0.5000000 0.5000000), wk = 0.0027248 k( 240) = ( 0.3625000 0.5000000 0.5000000), wk = 0.0027248 k( 241) = ( 0.3750000 0.5000000 0.5000000), wk = 0.0027248 k( 242) = ( 0.3875000 0.5000000 0.5000000), wk = 0.0027248 k( 243) = ( 0.4000000 0.5000000 0.5000000), wk = 0.0027248 k( 244) = ( 0.4125000 0.5000000 0.5000000), wk = 0.0027248 k( 245) = ( 0.4250000 0.5000000 0.5000000), wk = 0.0027248 k( 246) = ( 0.4375000 0.5000000 0.5000000), wk = 0.0027248 k( 247) = ( 0.4500000 0.5000000 0.5000000), wk = 0.0027248 k( 248) = ( 0.4625000 0.5000000 0.5000000), wk = 0.0027248 k( 249) = ( 0.4750000 0.5000000 0.5000000), wk = 0.0027248 k( 250) = ( 0.4875000 0.5000000 0.5000000), wk = 0.0027248 k( 251) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0027248 k( 252) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0027248 k( 253) = ( 0.4912281 0.4912281 0.5000000), wk = 0.0027248 k( 254) = ( 0.4824561 0.4824561 0.5000000), wk = 0.0027248 k( 255) = ( 0.4736842 0.4736842 0.5000000), wk = 0.0027248 k( 256) = ( 0.4649123 0.4649123 0.5000000), wk = 0.0027248 k( 257) = ( 0.4561404 0.4561404 0.5000000), wk = 0.0027248 k( 258) = ( 0.4473684 0.4473684 0.5000000), wk = 0.0027248 k( 259) = ( 0.4385965 0.4385965 0.5000000), wk = 0.0027248 k( 260) = ( 0.4298246 0.4298246 0.5000000), wk = 0.0027248 k( 261) = ( 0.4210526 0.4210526 0.5000000), wk = 0.0027248 k( 262) = ( 0.4122807 0.4122807 0.5000000), wk = 0.0027248 k( 263) = ( 0.4035088 0.4035088 0.5000000), wk = 0.0027248 k( 264) = ( 0.3947368 0.3947368 0.5000000), wk = 0.0027248 k( 265) = ( 0.3859649 0.3859649 0.5000000), wk = 0.0027248 k( 266) = ( 0.3771930 0.3771930 0.5000000), wk = 0.0027248 k( 267) = ( 0.3684211 0.3684211 0.5000000), wk = 0.0027248 k( 268) = ( 0.3596491 0.3596491 0.5000000), wk = 0.0027248 k( 269) = ( 0.3508772 0.3508772 0.5000000), wk = 0.0027248 k( 270) = ( 0.3421053 0.3421053 0.5000000), wk = 0.0027248 k( 271) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0027248 k( 272) = ( 0.3245614 0.3245614 0.5000000), wk = 0.0027248 k( 273) = ( 0.3157895 0.3157895 0.5000000), wk = 0.0027248 k( 274) = ( 0.3070175 0.3070175 0.5000000), wk = 0.0027248 k( 275) = ( 0.2982456 0.2982456 0.5000000), wk = 0.0027248 k( 276) = ( 0.2894737 0.2894737 0.5000000), wk = 0.0027248 k( 277) = ( 0.2807018 0.2807018 0.5000000), wk = 0.0027248 k( 278) = ( 0.2719298 0.2719298 0.5000000), wk = 0.0027248 k( 279) = ( 0.2631579 0.2631579 0.5000000), wk = 0.0027248 k( 280) = ( 0.2543860 0.2543860 0.5000000), wk = 0.0027248 k( 281) = ( 0.2456140 0.2456140 0.5000000), wk = 0.0027248 k( 282) = ( 0.2368421 0.2368421 0.5000000), wk = 0.0027248 k( 283) = ( 0.2280702 0.2280702 0.5000000), wk = 0.0027248 k( 284) = ( 0.2192983 0.2192983 0.5000000), wk = 0.0027248 k( 285) = ( 0.2105263 0.2105263 0.5000000), wk = 0.0027248 k( 286) = ( 0.2017544 0.2017544 0.5000000), wk = 0.0027248 k( 287) = ( 0.1929825 0.1929825 0.5000000), wk = 0.0027248 k( 288) = ( 0.1842105 0.1842105 0.5000000), wk = 0.0027248 k( 289) = ( 0.1754386 0.1754386 0.5000000), wk = 0.0027248 k( 290) = ( 0.1666667 0.1666667 0.5000000), wk = 0.0027248 k( 291) = ( 0.1578947 0.1578947 0.5000000), wk = 0.0027248 k( 292) = ( 0.1491228 0.1491228 0.5000000), wk = 0.0027248 k( 293) = ( 0.1403509 0.1403509 0.5000000), wk = 0.0027248 k( 294) = ( 0.1315790 0.1315790 0.5000000), wk = 0.0027248 k( 295) = ( 0.1228070 0.1228070 0.5000000), wk = 0.0027248 k( 296) = ( 0.1140351 0.1140351 0.5000000), wk = 0.0027248 k( 297) = ( 0.1052632 0.1052632 0.5000000), wk = 0.0027248 k( 298) = ( 0.0964912 0.0964912 0.5000000), wk = 0.0027248 k( 299) = ( 0.0877193 0.0877193 0.5000000), wk = 0.0027248 k( 300) = ( 0.0789474 0.0789474 0.5000000), wk = 0.0027248 k( 301) = ( 0.0701754 0.0701754 0.5000000), wk = 0.0027248 k( 302) = ( 0.0614035 0.0614035 0.5000000), wk = 0.0027248 k( 303) = ( 0.0526316 0.0526316 0.5000000), wk = 0.0027248 k( 304) = ( 0.0438597 0.0438597 0.5000000), wk = 0.0027248 k( 305) = ( 0.0350877 0.0350877 0.5000000), wk = 0.0027248 k( 306) = ( 0.0263158 0.0263158 0.5000000), wk = 0.0027248 k( 307) = ( 0.0175439 0.0175439 0.5000000), wk = 0.0027248 k( 308) = ( 0.0087719 0.0087719 0.5000000), wk = 0.0027248 k( 309) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0027248 k( 310) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0027248 k( 311) = ( 0.0000000 0.5000000 0.0178571), wk = 0.0027248 k( 312) = ( 0.0000000 0.5000000 0.0357143), wk = 0.0027248 k( 313) = ( 0.0000000 0.5000000 0.0535714), wk = 0.0027248 k( 314) = ( 0.0000000 0.5000000 0.0714286), wk = 0.0027248 k( 315) = ( 0.0000000 0.5000000 0.0892857), wk = 0.0027248 k( 316) = ( 0.0000000 0.5000000 0.1071429), wk = 0.0027248 k( 317) = ( 0.0000000 0.5000000 0.1250000), wk = 0.0027248 k( 318) = ( 0.0000000 0.5000000 0.1428571), wk = 0.0027248 k( 319) = ( 0.0000000 0.5000000 0.1607143), wk = 0.0027248 k( 320) = ( 0.0000000 0.5000000 0.1785714), wk = 0.0027248 k( 321) = ( 0.0000000 0.5000000 0.1964286), wk = 0.0027248 k( 322) = ( 0.0000000 0.5000000 0.2142857), wk = 0.0027248 k( 323) = ( 0.0000000 0.5000000 0.2321429), wk = 0.0027248 k( 324) = ( 0.0000000 0.5000000 0.2500000), wk = 0.0027248 k( 325) = ( 0.0000000 0.5000000 0.2678571), wk = 0.0027248 k( 326) = ( 0.0000000 0.5000000 0.2857143), wk = 0.0027248 k( 327) = ( 0.0000000 0.5000000 0.3035714), wk = 0.0027248 k( 328) = ( 0.0000000 0.5000000 0.3214286), wk = 0.0027248 k( 329) = ( 0.0000000 0.5000000 0.3392857), wk = 0.0027248 k( 330) = ( 0.0000000 0.5000000 0.3571429), wk = 0.0027248 k( 331) = ( 0.0000000 0.5000000 0.3750000), wk = 0.0027248 k( 332) = ( 0.0000000 0.5000000 0.3928571), wk = 0.0027248 k( 333) = ( 0.0000000 0.5000000 0.4107143), wk = 0.0027248 k( 334) = ( 0.0000000 0.5000000 0.4285714), wk = 0.0027248 k( 335) = ( 0.0000000 0.5000000 0.4464286), wk = 0.0027248 k( 336) = ( 0.0000000 0.5000000 0.4642857), wk = 0.0027248 k( 337) = ( 0.0000000 0.5000000 0.4821429), wk = 0.0027248 k( 338) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0027248 k( 339) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0027248 k( 340) = ( 0.5000000 0.5000000 0.0178571), wk = 0.0027248 k( 341) = ( 0.5000000 0.5000000 0.0357143), wk = 0.0027248 k( 342) = ( 0.5000000 0.5000000 0.0535714), wk = 0.0027248 k( 343) = ( 0.5000000 0.5000000 0.0714286), wk = 0.0027248 k( 344) = ( 0.5000000 0.5000000 0.0892857), wk = 0.0027248 k( 345) = ( 0.5000000 0.5000000 0.1071429), wk = 0.0027248 k( 346) = ( 0.5000000 0.5000000 0.1250000), wk = 0.0027248 k( 347) = ( 0.5000000 0.5000000 0.1428571), wk = 0.0027248 k( 348) = ( 0.5000000 0.5000000 0.1607143), wk = 0.0027248 k( 349) = ( 0.5000000 0.5000000 0.1785714), wk = 0.0027248 k( 350) = ( 0.5000000 0.5000000 0.1964286), wk = 0.0027248 k( 351) = ( 0.5000000 0.5000000 0.2142857), wk = 0.0027248 k( 352) = ( 0.5000000 0.5000000 0.2321429), wk = 0.0027248 k( 353) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0027248 k( 354) = ( 0.5000000 0.5000000 0.2678571), wk = 0.0027248 k( 355) = ( 0.5000000 0.5000000 0.2857143), wk = 0.0027248 k( 356) = ( 0.5000000 0.5000000 0.3035714), wk = 0.0027248 k( 357) = ( 0.5000000 0.5000000 0.3214286), wk = 0.0027248 k( 358) = ( 0.5000000 0.5000000 0.3392857), wk = 0.0027248 k( 359) = ( 0.5000000 0.5000000 0.3571429), wk = 0.0027248 k( 360) = ( 0.5000000 0.5000000 0.3750000), wk = 0.0027248 k( 361) = ( 0.5000000 0.5000000 0.3928571), wk = 0.0027248 k( 362) = ( 0.5000000 0.5000000 0.4107143), wk = 0.0027248 k( 363) = ( 0.5000000 0.5000000 0.4285714), wk = 0.0027248 k( 364) = ( 0.5000000 0.5000000 0.4464286), wk = 0.0027248 k( 365) = ( 0.5000000 0.5000000 0.4642857), wk = 0.0027248 k( 366) = ( 0.5000000 0.5000000 0.4821429), wk = 0.0027248 k( 367) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0027248 Dense grid: 163955 G-vectors FFT dimensions: ( 64, 64, 90) Smooth grid: 24477 G-vectors FFT dimensions: ( 32, 32, 45) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.09 Mb ( 136, 44) NL pseudopotentials 0.14 Mb ( 68, 136) Each V/rho on FFT grid 0.12 Mb ( 8192) Each G-vector array 0.03 Mb ( 3415) G-vector shells 0.01 Mb ( 1617) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.37 Mb ( 136, 176) Each subspace H/S matrix 0.47 Mb ( 176, 176) Each matrix 0.18 Mb ( 136, 2, 44) The potential is recalculated from file : ./ZnCdS2.save/charge-density.dat Starting wfc are 52 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 44.7 secs Computing kpt #: 2 total cpu time spent up to now is 46.0 secs Computing kpt #: 3 total cpu time spent up to now is 47.0 secs Computing kpt #: 4 total cpu time spent up to now is 48.4 secs Computing kpt #: 5 total cpu time spent up to now is 49.7 secs Computing kpt #: 6 total cpu time spent up to now is 51.0 secs Computing kpt #: 7 total cpu time spent up to now is 52.3 secs Computing kpt #: 8 total cpu time spent up to now is 54.0 secs Computing kpt #: 9 total cpu time spent up to now is 55.4 secs Computing kpt #: 10 total cpu time spent up to now is 57.0 secs Computing kpt #: 11 total cpu time spent up to now is 58.6 secs Computing kpt #: 12 total cpu time spent up to now is 60.1 secs Computing kpt #: 13 total cpu time spent up to now is 61.7 secs Computing kpt #: 14 total cpu time spent up to now is 63.1 secs Computing kpt #: 15 total cpu time spent up to now is 64.5 secs Computing kpt #: 16 total cpu time spent up to now is 65.8 secs Computing kpt #: 17 total cpu time spent up to now is 67.1 secs Computing kpt #: 18 total cpu time spent up to now is 68.4 secs Computing kpt #: 19 total cpu time spent up to now is 69.8 secs Computing kpt #: 20 total cpu time spent up to now is 71.1 secs Computing kpt #: 21 total cpu time spent up to now is 72.7 secs Computing kpt #: 22 total cpu time spent up to now is 74.0 secs Computing kpt #: 23 total cpu time spent up to now is 75.3 secs Computing kpt #: 24 total cpu time spent up to now is 76.6 secs Computing kpt #: 25 total cpu time spent up to now is 78.4 secs Computing kpt #: 26 total cpu time spent up to now is 79.8 secs Computing kpt #: 27 total cpu time spent up to now is 81.1 secs Computing kpt #: 28 total cpu time spent up to now is 82.4 secs Computing kpt #: 29 total cpu time spent up to now is 84.0 secs Computing kpt #: 30 total cpu time spent up to now is 85.2 secs Computing kpt #: 31 total cpu time spent up to now is 86.4 secs Computing kpt #: 32 total cpu time spent up to now is 87.7 secs Computing kpt #: 33 total cpu time spent up to now is 88.9 secs Computing kpt #: 34 total cpu time spent up to now is 90.3 secs Computing kpt #: 35 total cpu time spent up to now is 91.6 secs Computing kpt #: 36 total cpu time spent up to now is 92.9 secs Computing kpt #: 37 total cpu time spent up to now is 94.2 secs Computing kpt #: 38 total cpu time spent up to now is 95.5 secs Computing kpt #: 39 total cpu time spent up to now is 96.8 secs Computing kpt #: 40 total cpu time spent up to now is 98.0 secs Computing kpt #: 41 total cpu time spent up to now is 99.2 secs Computing kpt #: 42 total cpu time spent up to now is 100.4 secs Computing kpt #: 43 total cpu time spent up to now is 101.8 secs Computing kpt #: 44 total cpu time spent up to now is 103.2 secs Computing kpt #: 45 total cpu time spent up to now is 104.5 secs Computing kpt #: 46 total cpu time spent up to now is 106.0 secs Computing kpt #: 47 total cpu time spent up to now is 107.5 secs Computing kpt #: 48 total cpu time spent up to now is 109.0 secs Computing kpt #: 49 total cpu time spent up to now is 110.6 secs Computing kpt #: 50 total cpu time spent up to now is 112.2 secs Computing kpt #: 51 total cpu time spent up to now is 113.8 secs Computing kpt #: 52 total cpu time spent up to now is 115.3 secs Computing kpt #: 53 total cpu time spent up to now is 116.6 secs Computing kpt #: 54 total cpu time spent up to now is 117.9 secs Computing kpt #: 55 total cpu time spent up to now is 119.1 secs Computing kpt #: 56 total cpu time spent up to now is 120.4 secs Computing kpt #: 57 total cpu time spent up to now is 121.5 secs Computing kpt #: 58 total cpu time spent up to now is 122.7 secs Computing kpt #: 59 total cpu time spent up to now is 123.8 secs Computing kpt #: 60 total cpu time spent up to now is 124.9 secs Computing kpt #: 61 total cpu time spent up to now is 126.0 secs Computing kpt #: 62 total cpu time spent up to now is 127.2 secs Computing kpt #: 63 total cpu time spent up to now is 128.4 secs Computing kpt #: 64 total cpu time spent up to now is 129.5 secs Computing kpt #: 65 total cpu time spent up to now is 130.6 secs Computing kpt #: 66 total cpu time spent up to now is 131.6 secs Computing kpt #: 67 total cpu time spent up to now is 132.6 secs Computing kpt #: 68 total cpu time spent up to now is 133.5 secs Computing kpt #: 69 total cpu time spent up to now is 134.5 secs Computing kpt #: 70 total cpu time spent up to now is 135.5 secs Computing kpt #: 71 total cpu time spent up to now is 136.4 secs Computing kpt #: 72 total cpu time spent up to now is 137.3 secs Computing kpt #: 73 total cpu time spent up to now is 138.2 secs Computing kpt #: 74 total cpu time spent up to now is 139.4 secs Computing kpt #: 75 total cpu time spent up to now is 140.4 secs Computing kpt #: 76 total cpu time spent up to now is 141.9 secs Computing kpt #: 77 total cpu time spent up to now is 142.8 secs Computing kpt #: 78 total cpu time spent up to now is 143.8 secs Computing kpt #: 79 total cpu time spent up to now is 144.7 secs Computing kpt #: 80 total cpu time spent up to now is 145.7 secs Computing kpt #: 81 total cpu time spent up to now is 146.6 secs Computing kpt #: 82 total cpu time spent up to now is 147.6 secs Computing kpt #: 83 total cpu time spent up to now is 148.6 secs Computing kpt #: 84 total cpu time spent up to now is 150.0 secs Computing kpt #: 85 total cpu time spent up to now is 150.8 secs Computing kpt #: 86 total cpu time spent up to now is 151.7 secs Computing kpt #: 87 total cpu time spent up to now is 152.6 secs Computing kpt #: 88 total cpu time spent up to now is 153.6 secs Computing kpt #: 89 total cpu time spent up to now is 154.6 secs Computing kpt #: 90 total cpu time spent up to now is 155.5 secs Computing kpt #: 91 total cpu time spent up to now is 156.5 secs Computing kpt #: 92 total cpu time spent up to now is 157.4 secs Computing kpt #: 93 total cpu time spent up to now is 158.3 secs Computing kpt #: 94 total cpu time spent up to now is 159.6 secs Computing kpt #: 95 total cpu time spent up to now is 160.5 secs Computing kpt #: 96 total cpu time spent up to now is 161.5 secs Computing kpt #: 97 total cpu time spent up to now is 162.5 secs Computing kpt #: 98 total cpu time spent up to now is 163.7 secs Computing kpt #: 99 total cpu time spent up to now is 164.7 secs Computing kpt #: 100 total cpu time spent up to now is 165.7 secs Computing kpt #: 101 total cpu time spent up to now is 166.6 secs Computing kpt #: 102 total cpu time spent up to now is 167.6 secs Computing kpt #: 103 total cpu time spent up to now is 168.7 secs Computing kpt #: 104 total cpu time spent up to now is 169.9 secs Computing kpt #: 105 total cpu time spent up to now is 170.9 secs Computing kpt #: 106 total cpu time spent up to now is 172.0 secs Computing kpt #: 107 total cpu time spent up to now is 173.1 secs Computing kpt #: 108 total cpu time spent up to now is 174.1 secs Computing kpt #: 109 total cpu time spent up to now is 175.1 secs Computing kpt #: 110 total cpu time spent up to now is 176.2 secs Computing kpt #: 111 total cpu time spent up to now is 177.3 secs Computing kpt #: 112 total cpu time spent up to now is 178.3 secs Computing kpt #: 113 total cpu time spent up to now is 179.3 secs Computing kpt #: 114 total cpu time spent up to now is 180.4 secs Computing kpt #: 115 total cpu time spent up to now is 181.4 secs Computing kpt #: 116 total cpu time spent up to now is 182.5 secs Computing kpt #: 117 total cpu time spent up to now is 183.5 secs Computing kpt #: 118 total cpu time spent up to now is 184.6 secs Computing kpt #: 119 total cpu time spent up to now is 185.7 secs Computing kpt #: 120 total cpu time spent up to now is 186.7 secs Computing kpt #: 121 total cpu time spent up to now is 187.7 secs Computing kpt #: 122 total cpu time spent up to now is 188.8 secs Computing kpt #: 123 total cpu time spent up to now is 189.9 secs Computing kpt #: 124 total cpu time spent up to now is 191.0 secs Computing kpt #: 125 total cpu time spent up to now is 192.1 secs Computing kpt #: 126 total cpu time spent up to now is 193.2 secs Computing kpt #: 127 total cpu time spent up to now is 194.3 secs Computing kpt #: 128 total cpu time spent up to now is 195.5 secs Computing kpt #: 129 total cpu time spent up to now is 196.7 secs Computing kpt #: 130 total cpu time spent up to now is 197.9 secs Computing kpt #: 131 total cpu time spent up to now is 199.2 secs Computing kpt #: 132 total cpu time spent up to now is 200.5 secs Computing kpt #: 133 total cpu time spent up to now is 201.8 secs Computing kpt #: 134 total cpu time spent up to now is 203.2 secs Computing kpt #: 135 total cpu time spent up to now is 205.6 secs Computing kpt #: 136 total cpu time spent up to now is 206.8 secs Computing kpt #: 137 total cpu time spent up to now is 208.0 secs Computing kpt #: 138 total cpu time spent up to now is 209.2 secs Computing kpt #: 139 total cpu time spent up to now is 210.3 secs Computing kpt #: 140 total cpu time spent up to now is 211.3 secs Computing kpt #: 141 total cpu time spent up to now is 212.4 secs Computing kpt #: 142 total cpu time spent up to now is 213.5 secs Computing kpt #: 143 total cpu time spent up to now is 214.6 secs Computing kpt #: 144 total cpu time spent up to now is 215.8 secs Computing kpt #: 145 total cpu time spent up to now is 217.0 secs Computing kpt #: 146 total cpu time spent up to now is 218.3 secs Computing kpt #: 147 total cpu time spent up to now is 219.8 secs Computing kpt #: 148 total cpu time spent up to now is 221.0 secs Computing kpt #: 149 total cpu time spent up to now is 222.4 secs Computing kpt #: 150 total cpu time spent up to now is 223.7 secs Computing kpt #: 151 total cpu time spent up to now is 224.9 secs Computing kpt #: 152 total cpu time spent up to now is 226.2 secs Computing kpt #: 153 total cpu time spent up to now is 227.3 secs Computing kpt #: 154 total cpu time spent up to now is 228.4 secs Computing kpt #: 155 total cpu time spent up to now is 229.6 secs Computing kpt #: 156 total cpu time spent up to now is 230.7 secs Computing kpt #: 157 total cpu time spent up to now is 231.7 secs Computing kpt #: 158 total cpu time spent up to now is 232.8 secs Computing kpt #: 159 total cpu time spent up to now is 233.8 secs Computing kpt #: 160 total cpu time spent up to now is 235.0 secs Computing kpt #: 161 total cpu time spent up to now is 236.1 secs Computing kpt #: 162 total cpu time spent up to now is 237.1 secs Computing kpt #: 163 total cpu time spent up to now is 238.0 secs Computing kpt #: 164 total cpu time spent up to now is 238.9 secs Computing kpt #: 165 total cpu time spent up to now is 239.8 secs Computing kpt #: 166 total cpu time spent up to now is 240.9 secs Computing kpt #: 167 total cpu time spent up to now is 241.8 secs Computing kpt #: 168 total cpu time spent up to now is 243.1 secs Computing kpt #: 169 total cpu time spent up to now is 244.0 secs Computing kpt #: 170 total cpu time spent up to now is 244.9 secs Computing kpt #: 171 total cpu time spent up to now is 246.3 secs Computing kpt #: 172 total cpu time spent up to now is 247.5 secs Computing kpt #: 173 total cpu time spent up to now is 248.5 secs Computing kpt #: 174 total cpu time spent up to now is 249.5 secs Computing kpt #: 175 total cpu time spent up to now is 250.5 secs Computing kpt #: 176 total cpu time spent up to now is 251.6 secs Computing kpt #: 177 total cpu time spent up to now is 252.7 secs Computing kpt #: 178 total cpu time spent up to now is 253.7 secs Computing kpt #: 179 total cpu time spent up to now is 254.8 secs Computing kpt #: 180 total cpu time spent up to now is 255.9 secs Computing kpt #: 181 total cpu time spent up to now is 257.0 secs Computing kpt #: 182 total cpu time spent up to now is 258.2 secs Computing kpt #: 183 total cpu time spent up to now is 259.4 secs Computing kpt #: 184 total cpu time spent up to now is 260.6 secs Computing kpt #: 185 total cpu time spent up to now is 261.9 secs Computing kpt #: 186 total cpu time spent up to now is 263.1 secs Computing kpt #: 187 total cpu time spent up to now is 264.8 secs Computing kpt #: 188 total cpu time spent up to now is 266.6 secs Computing kpt #: 189 total cpu time spent up to now is 268.1 secs Computing kpt #: 190 total cpu time spent up to now is 269.5 secs Computing kpt #: 191 total cpu time spent up to now is 270.9 secs Computing kpt #: 192 total cpu time spent up to now is 272.4 secs Computing kpt #: 193 total cpu time spent up to now is 273.8 secs Computing kpt #: 194 total cpu time spent up to now is 275.3 secs Computing kpt #: 195 total cpu time spent up to now is 276.7 secs Computing kpt #: 196 total cpu time spent up to now is 278.2 secs Computing kpt #: 197 total cpu time spent up to now is 279.6 secs Computing kpt #: 198 total cpu time spent up to now is 281.0 secs Computing kpt #: 199 total cpu time spent up to now is 282.7 secs Computing kpt #: 200 total cpu time spent up to now is 284.3 secs Computing kpt #: 201 total cpu time spent up to now is 285.9 secs Computing kpt #: 202 total cpu time spent up to now is 287.6 secs Computing kpt #: 203 total cpu time spent up to now is 289.5 secs Computing kpt #: 204 total cpu time spent up to now is 291.0 secs Computing kpt #: 205 total cpu time spent up to now is 293.3 secs Computing kpt #: 206 total cpu time spent up to now is 295.0 secs Computing kpt #: 207 total cpu time spent up to now is 296.7 secs Computing kpt #: 208 total cpu time spent up to now is 298.6 secs Computing kpt #: 209 total cpu time spent up to now is 301.2 secs Computing kpt #: 210 total cpu time spent up to now is 303.9 secs Computing kpt #: 211 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 306.7 secs Computing kpt #: 212 total cpu time spent up to now is 308.9 secs Computing kpt #: 213 total cpu time spent up to now is 310.8 secs Computing kpt #: 214 total cpu time spent up to now is 312.6 secs Computing kpt #: 215 total cpu time spent up to now is 314.3 secs Computing kpt #: 216 total cpu time spent up to now is 316.1 secs Computing kpt #: 217 total cpu time spent up to now is 317.7 secs Computing kpt #: 218 total cpu time spent up to now is 319.5 secs Computing kpt #: 219 total cpu time spent up to now is 321.0 secs Computing kpt #: 220 total cpu time spent up to now is 322.4 secs Computing kpt #: 221 total cpu time spent up to now is 323.8 secs Computing kpt #: 222 total cpu time spent up to now is 325.2 secs Computing kpt #: 223 total cpu time spent up to now is 326.6 secs Computing kpt #: 224 total cpu time spent up to now is 328.0 secs Computing kpt #: 225 total cpu time spent up to now is 329.3 secs Computing kpt #: 226 total cpu time spent up to now is 330.7 secs Computing kpt #: 227 total cpu time spent up to now is 332.1 secs Computing kpt #: 228 total cpu time spent up to now is 333.4 secs Computing kpt #: 229 total cpu time spent up to now is 334.6 secs Computing kpt #: 230 total cpu time spent up to now is 336.5 secs Computing kpt #: 231 total cpu time spent up to now is 338.4 secs Computing kpt #: 232 total cpu time spent up to now is 340.3 secs Computing kpt #: 233 total cpu time spent up to now is 341.9 secs Computing kpt #: 234 total cpu time spent up to now is 343.4 secs Computing kpt #: 235 total cpu time spent up to now is 344.7 secs Computing kpt #: 236 total cpu time spent up to now is 346.0 secs Computing kpt #: 237 total cpu time spent up to now is 347.3 secs Computing kpt #: 238 total cpu time spent up to now is 348.6 secs Computing kpt #: 239 total cpu time spent up to now is 349.9 secs Computing kpt #: 240 total cpu time spent up to now is 351.1 secs Computing kpt #: 241 total cpu time spent up to now is 352.4 secs Computing kpt #: 242 total cpu time spent up to now is 353.7 secs Computing kpt #: 243 total cpu time spent up to now is 355.0 secs Computing kpt #: 244 total cpu time spent up to now is 356.2 secs Computing kpt #: 245 total cpu time spent up to now is 357.5 secs Computing kpt #: 246 total cpu time spent up to now is 358.6 secs Computing kpt #: 247 total cpu time spent up to now is 360.4 secs Computing kpt #: 248 total cpu time spent up to now is 361.5 secs Computing kpt #: 249 total cpu time spent up to now is 362.6 secs Computing kpt #: 250 total cpu time spent up to now is 363.6 secs Computing kpt #: 251 total cpu time spent up to now is 364.6 secs Computing kpt #: 252 total cpu time spent up to now is 365.8 secs Computing kpt #: 253 total cpu time spent up to now is 366.9 secs Computing kpt #: 254 total cpu time spent up to now is 367.9 secs Computing kpt #: 255 total cpu time spent up to now is 369.0 secs Computing kpt #: 256 total cpu time spent up to now is 370.1 secs Computing kpt #: 257 total cpu time spent up to now is 371.2 secs Computing kpt #: 258 total cpu time spent up to now is 372.4 secs Computing kpt #: 259 total cpu time spent up to now is 373.9 secs Computing kpt #: 260 total cpu time spent up to now is 375.2 secs Computing kpt #: 261 total cpu time spent up to now is 376.5 secs Computing kpt #: 262 total cpu time spent up to now is 377.8 secs Computing kpt #: 263 total cpu time spent up to now is 379.1 secs Computing kpt #: 264 total cpu time spent up to now is 380.4 secs Computing kpt #: 265 total cpu time spent up to now is 381.6 secs Computing kpt #: 266 total cpu time spent up to now is 382.9 secs Computing kpt #: 267 total cpu time spent up to now is 384.2 secs Computing kpt #: 268 total cpu time spent up to now is 385.8 secs Computing kpt #: 269 total cpu time spent up to now is 387.2 secs Computing kpt #: 270 total cpu time spent up to now is 388.6 secs Computing kpt #: 271 total cpu time spent up to now is 389.9 secs Computing kpt #: 272 total cpu time spent up to now is 391.3 secs Computing kpt #: 273 total cpu time spent up to now is 392.8 secs Computing kpt #: 274 total cpu time spent up to now is 394.2 secs Computing kpt #: 275 total cpu time spent up to now is 395.9 secs Computing kpt #: 276 total cpu time spent up to now is 398.4 secs Computing kpt #: 277 total cpu time spent up to now is 400.2 secs Computing kpt #: 278 total cpu time spent up to now is 401.7 secs Computing kpt #: 279 total cpu time spent up to now is 403.2 secs Computing kpt #: 280 total cpu time spent up to now is 404.6 secs Computing kpt #: 281 total cpu time spent up to now is 405.9 secs Computing kpt #: 282 total cpu time spent up to now is 407.3 secs Computing kpt #: 283 total cpu time spent up to now is 409.0 secs Computing kpt #: 284 total cpu time spent up to now is 410.8 secs Computing kpt #: 285 total cpu time spent up to now is 412.2 secs Computing kpt #: 286 total cpu time spent up to now is 413.5 secs Computing kpt #: 287 total cpu time spent up to now is 414.9 secs Computing kpt #: 288 total cpu time spent up to now is 416.3 secs Computing kpt #: 289 total cpu time spent up to now is 417.6 secs Computing kpt #: 290 total cpu time spent up to now is 419.0 secs Computing kpt #: 291 total cpu time spent up to now is 420.2 secs Computing kpt #: 292 total cpu time spent up to now is 421.5 secs Computing kpt #: 293 total cpu time spent up to now is 422.7 secs Computing kpt #: 294 total cpu time spent up to now is 423.9 secs Computing kpt #: 295 total cpu time spent up to now is 425.1 secs Computing kpt #: 296 total cpu time spent up to now is 426.2 secs Computing kpt #: 297 total cpu time spent up to now is 427.3 secs Computing kpt #: 298 total cpu time spent up to now is 428.5 secs Computing kpt #: 299 total cpu time spent up to now is 429.5 secs Computing kpt #: 300 total cpu time spent up to now is 430.5 secs Computing kpt #: 301 total cpu time spent up to now is 431.6 secs Computing kpt #: 302 total cpu time spent up to now is 432.6 secs Computing kpt #: 303 total cpu time spent up to now is 433.7 secs Computing kpt #: 304 total cpu time spent up to now is 434.8 secs Computing kpt #: 305 total cpu time spent up to now is 435.7 secs Computing kpt #: 306 total cpu time spent up to now is 436.6 secs Computing kpt #: 307 total cpu time spent up to now is 437.6 secs Computing kpt #: 308 total cpu time spent up to now is 438.4 secs Computing kpt #: 309 total cpu time spent up to now is 439.3 secs Computing kpt #: 310 total cpu time spent up to now is 440.5 secs Computing kpt #: 311 total cpu time spent up to now is 441.6 secs Computing kpt #: 312 total cpu time spent up to now is 442.8 secs Computing kpt #: 313 total cpu time spent up to now is 444.0 secs Computing kpt #: 314 total cpu time spent up to now is 445.2 secs Computing kpt #: 315 total cpu time spent up to now is 446.5 secs Computing kpt #: 316 total cpu time spent up to now is 447.7 secs Computing kpt #: 317 total cpu time spent up to now is 448.9 secs Computing kpt #: 318 total cpu time spent up to now is 450.2 secs Computing kpt #: 319 total cpu time spent up to now is 451.7 secs Computing kpt #: 320 total cpu time spent up to now is 453.0 secs Computing kpt #: 321 total cpu time spent up to now is 454.3 secs Computing kpt #: 322 total cpu time spent up to now is 455.7 secs Computing kpt #: 323 total cpu time spent up to now is 457.1 secs Computing kpt #: 324 total cpu time spent up to now is 458.5 secs Computing kpt #: 325 total cpu time spent up to now is 459.8 secs Computing kpt #: 326 total cpu time spent up to now is 461.1 secs Computing kpt #: 327 total cpu time spent up to now is 462.6 secs Computing kpt #: 328 total cpu time spent up to now is 464.1 secs Computing kpt #: 329 total cpu time spent up to now is 465.6 secs Computing kpt #: 330 total cpu time spent up to now is 467.4 secs Computing kpt #: 331 total cpu time spent up to now is 469.2 secs Computing kpt #: 332 total cpu time spent up to now is 471.4 secs Computing kpt #: 333 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 474.1 secs Computing kpt #: 334 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 476.8 secs Computing kpt #: 335 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 479.5 secs Computing kpt #: 336 total cpu time spent up to now is 482.0 secs Computing kpt #: 337 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 484.7 secs Computing kpt #: 338 total cpu time spent up to now is 487.1 secs Computing kpt #: 339 total cpu time spent up to now is 487.9 secs Computing kpt #: 340 total cpu time spent up to now is 488.8 secs Computing kpt #: 341 total cpu time spent up to now is 489.7 secs Computing kpt #: 342 total cpu time spent up to now is 490.5 secs Computing kpt #: 343 total cpu time spent up to now is 491.4 secs Computing kpt #: 344 total cpu time spent up to now is 492.3 secs Computing kpt #: 345 total cpu time spent up to now is 493.1 secs Computing kpt #: 346 total cpu time spent up to now is 494.0 secs Computing kpt #: 347 total cpu time spent up to now is 495.0 secs Computing kpt #: 348 total cpu time spent up to now is 495.8 secs Computing kpt #: 349 total cpu time spent up to now is 496.7 secs Computing kpt #: 350 total cpu time spent up to now is 497.6 secs Computing kpt #: 351 total cpu time spent up to now is 498.9 secs Computing kpt #: 352 total cpu time spent up to now is 499.8 secs Computing kpt #: 353 total cpu time spent up to now is 500.7 secs Computing kpt #: 354 total cpu time spent up to now is 501.6 secs Computing kpt #: 355 total cpu time spent up to now is 502.5 secs Computing kpt #: 356 total cpu time spent up to now is 503.8 secs Computing kpt #: 357 total cpu time spent up to now is 505.1 secs Computing kpt #: 358 total cpu time spent up to now is 506.2 secs Computing kpt #: 359 total cpu time spent up to now is 507.3 secs Computing kpt #: 360 total cpu time spent up to now is 508.4 secs Computing kpt #: 361 total cpu time spent up to now is 509.3 secs Computing kpt #: 362 total cpu time spent up to now is 510.4 secs Computing kpt #: 363 total cpu time spent up to now is 511.4 secs Computing kpt #: 364 total cpu time spent up to now is 513.2 secs Computing kpt #: 365 total cpu time spent up to now is 514.3 secs Computing kpt #: 366 total cpu time spent up to now is 515.3 secs Computing kpt #: 367 total cpu time spent up to now is 516.5 secs ethr = 2.78E-11, avg # of iterations = 33.1 total cpu time spent up to now is 516.7 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3031 PWs) bands (ev): -7.0400 -7.0400 -6.0999 -6.0999 -2.2114 -2.2114 -2.1137 -2.1137 -1.5948 -1.5948 -1.5288 -1.5288 -1.3645 -1.3645 -0.5261 -0.5261 -0.3941 -0.3941 -0.2082 -0.2082 -0.1032 -0.1032 0.0868 0.0868 1.4436 1.4436 3.6133 3.6133 3.6214 3.6214 5.5535 5.5535 5.7254 5.7254 5.7555 5.7555 7.1754 7.1754 9.3327 9.3327 9.8662 9.8662 12.0081 12.0081 k = 0.0000 0.0125-0.0000 ( 3016 PWs) bands (ev): -7.0394 -7.0394 -6.0999 -6.0999 -2.2143 -2.2081 -2.1169 -2.1104 -1.5982 -1.5911 -1.5323 -1.5245 -1.3654 -1.3636 -0.5274 -0.5245 -0.3998 -0.3882 -0.2093 -0.2063 -0.1098 -0.0962 0.0865 0.0873 1.4432 1.4442 3.6099 3.6116 3.6200 3.6215 5.5521 5.5527 5.7186 5.7191 5.7501 5.7509 7.1856 7.1861 9.3354 9.3363 9.8693 9.8702 12.0049 12.0125 k = 0.0000 0.0250-0.0000 ( 3016 PWs) bands (ev): -7.0375 -7.0374 -6.1000 -6.1000 -2.2171 -2.2047 -2.1199 -2.1069 -1.6015 -1.5872 -1.5355 -1.5199 -1.3665 -1.3629 -0.5288 -0.5229 -0.4055 -0.3824 -0.2101 -0.2040 -0.1161 -0.0890 0.0863 0.0879 1.4430 1.4451 3.5965 3.6028 3.6223 3.6223 5.5486 5.5492 5.6926 5.6926 5.7422 5.7443 7.2157 7.2167 9.3443 9.3460 9.8795 9.8812 12.0026 12.0179 k = 0.0000 0.0375-0.0000 ( 3020 PWs) bands (ev): -7.0344 -7.0342 -6.1001 -6.1001 -2.2197 -2.2012 -2.1229 -2.1034 -1.6045 -1.5832 -1.5382 -1.5149 -1.3677 -1.3624 -0.5301 -0.5213 -0.4111 -0.3765 -0.2105 -0.2012 -0.1220 -0.0817 0.0862 0.0886 1.4430 1.4462 3.5744 3.5848 3.6263 3.6275 5.5416 5.5429 5.6436 5.6461 5.7369 5.7402 7.2632 7.2647 9.3589 9.3611 9.8973 9.8997 12.0005 12.0239 k = 0.0000 0.0500-0.0000 ( 3026 PWs) bands (ev): -7.0300 -7.0298 -6.1003 -6.1003 -2.2222 -2.1975 -2.1259 -2.0998 -1.6074 -1.5790 -1.5405 -1.5094 -1.3691 -1.3620 -0.5314 -0.5196 -0.4165 -0.3706 -0.2103 -0.1979 -0.1274 -0.0742 0.0864 0.0893 1.4432 1.4475 3.5447 3.5588 3.6327 3.6348 5.5236 5.5347 5.5776 5.5905 5.7323 5.7368 7.3247 7.3268 9.3783 9.3808 9.9232 9.9262 11.9979 12.0296 k = 0.0000 0.0625-0.0000 ( 3028 PWs) bands (ev): -7.0243 -7.0241 -6.1005 -6.1005 -2.2245 -2.1936 -2.1287 -2.0960 -1.6100 -1.5746 -1.5423 -1.5035 -1.3704 -1.3617 -0.5326 -0.5177 -0.4218 -0.3647 -0.2097 -0.1942 -0.1324 -0.0667 0.0869 0.0901 1.4436 1.4490 3.5084 3.5257 3.6413 3.6442 5.4731 5.4972 5.5255 5.5519 5.7273 5.7329 7.3969 7.3998 9.4013 9.4037 9.9580 9.9614 11.9939 12.0337 k = 0.0000 0.0750-0.0000 ( 3030 PWs) bands (ev): -7.0175 -7.0171 -6.1009 -6.1008 -2.2267 -2.1895 -2.1314 -2.0920 -1.6124 -1.5701 -1.5437 -1.4972 -1.3717 -1.3615 -0.5338 -0.5158 -0.4269 -0.3590 -0.2087 -0.1901 -0.1369 -0.0593 0.0877 0.0911 1.4441 1.4506 3.4663 3.4865 3.6519 3.6555 5.3914 5.4088 5.5119 5.5318 5.7216 5.7283 7.4771 7.4808 9.4268 9.4286 10.0023 10.0059 11.9875 12.0344 k = 0.0000 0.0875-0.0000 ( 3032 PWs) bands (ev): -7.0094 -7.0090 -6.1013 -6.1012 -2.2286 -2.1852 -2.1340 -2.0880 -1.6146 -1.5654 -1.5447 -1.4905 -1.3731 -1.3616 -0.5350 -0.5138 -0.4318 -0.3533 -0.2073 -0.1858 -0.1406 -0.0521 0.0890 0.0921 1.4446 1.4524 3.4193 3.4419 3.6644 3.6687 5.2971 5.3125 5.4957 5.5140 5.7151 5.7229 7.5630 7.5674 9.4536 9.4545 10.0566 10.0602 11.9782 12.0303 k = 0.0000 0.1000-0.0000 ( 3038 PWs) bands (ev): -7.0001 -6.9997 -6.1018 -6.1018 -2.2304 -2.1807 -2.1365 -2.0838 -1.6166 -1.5607 -1.5454 -1.4835 -1.3745 -1.3617 -0.5361 -0.5117 -0.4364 -0.3477 -0.2055 -0.1814 -0.1435 -0.0452 0.0908 0.0933 1.4452 1.4541 3.3683 3.3930 3.6788 3.6838 5.1959 5.2107 5.4764 5.4942 5.7078 5.7166 7.6528 7.6579 9.4804 9.4809 10.1209 10.1244 11.9660 12.0207 k = 0.0000 0.1125-0.0000 ( 3034 PWs) bands (ev): -6.9897 -6.9892 -6.1025 -6.1024 -2.2320 -2.1760 -2.1390 -2.0796 -1.6183 -1.5557 -1.5457 -1.4762 -1.3757 -1.3619 -0.5372 -0.5095 -0.4409 -0.3422 -0.2033 -0.1774 -0.1452 -0.0388 0.0933 0.0947 1.4456 1.4559 3.3144 3.3409 3.6952 3.7008 5.0900 5.1047 5.4536 5.4714 5.6996 5.7093 7.7451 7.7511 9.5058 9.5080 10.1947 10.1983 11.9511 12.0062 k = 0.0000 0.1250-0.0000 ( 3034 PWs) bands (ev): -6.9781 -6.9775 -6.1033 -6.1032 -2.2334 -2.1711 -2.1413 -2.0752 -1.6198 -1.5507 -1.5457 -1.4685 -1.3770 -1.3624 -0.5383 -0.5072 -0.4450 -0.3370 -0.2008 -0.1742 -0.1451 -0.0330 0.0961 0.0965 1.4460 1.4577 3.2586 3.2864 3.7133 3.7196 4.9810 4.9958 5.4273 5.4451 5.6905 5.7011 7.8391 7.8457 9.5306 9.5346 10.2772 10.2812 11.9346 11.9881 k = 0.0000 0.1375-0.0000 ( 3048 PWs) bands (ev): -6.9654 -6.9648 -6.1043 -6.1042 -2.2348 -2.1662 -2.1437 -2.0708 -1.6213 -1.5467 -1.5445 -1.4607 -1.3782 -1.3630 -0.5393 -0.5050 -0.4490 -0.3319 -0.1979 -0.1725 -0.1429 -0.0280 0.0976 0.1004 1.4461 1.4592 3.2018 3.2306 3.7332 3.7401 4.8697 4.8846 5.3971 5.4151 5.6804 5.6919 7.9340 7.9412 9.5548 9.5608 10.3671 10.3719 11.9176 11.9682 k = 0.0000 0.1500-0.0000 ( 3054 PWs) bands (ev): -6.9517 -6.9511 -6.1055 -6.1054 -2.2359 -2.1611 -2.1460 -2.0663 -1.6224 -1.5458 -1.5399 -1.4527 -1.3792 -1.3637 -0.5404 -0.5027 -0.4525 -0.3271 -0.1947 -0.1723 -0.1386 -0.0238 0.0993 0.1050 1.4459 1.4605 3.1451 3.1745 3.7548 3.7623 4.7569 4.7720 5.3632 5.3812 5.6695 5.6817 8.0291 8.0369 9.5786 9.5866 10.4630 10.4690 11.9011 11.9482 k = 0.0000 0.1625-0.0000 ( 3062 PWs) bands (ev): -6.9369 -6.9363 -6.1070 -6.1069 -2.2368 -2.1559 -2.1480 -2.0618 -1.6233 -1.5454 -1.5348 -1.4445 -1.3799 -1.3645 -0.5413 -0.5005 -0.4557 -0.3225 -0.1912 -0.1731 -0.1327 -0.0204 0.1011 0.1104 1.4453 1.4615 3.0894 3.1190 3.7781 3.7862 4.6431 4.6584 5.3254 5.3434 5.6575 5.6705 8.1242 8.1323 9.6023 9.6124 10.5629 10.5709 11.8865 11.9295 k = 0.0000 0.1750-0.0000 ( 3058 PWs) bands (ev): -6.9212 -6.9205 -6.1087 -6.1086 -2.2375 -2.1521 -2.1483 -2.0571 -1.6240 -1.5449 -1.5295 -1.4361 -1.3802 -1.3652 -0.5422 -0.4984 -0.4584 -0.3181 -0.1875 -0.1743 -0.1257 -0.0177 0.1030 0.1164 1.4442 1.4621 3.0356 3.0651 3.8030 3.8117 4.5289 4.5444 5.2838 5.3017 5.6446 5.6583 8.2188 8.2272 9.6261 9.6383 10.6650 10.6757 11.8750 11.9133 k = 0.0000 0.1875-0.0000 ( 3058 PWs) bands (ev): -6.9045 -6.9038 -6.1107 -6.1105 -2.2381 -2.1530 -2.1437 -2.0525 -1.6246 -1.5444 -1.5242 -1.4278 -1.3802 -1.3660 -0.5431 -0.4964 -0.4606 -0.3139 -0.1836 -0.1758 -0.1181 -0.0158 0.1049 0.1227 1.4426 1.4622 2.9844 3.0135 3.8294 3.8387 4.4146 4.4302 5.2384 5.2562 5.6306 5.6450 8.3127 8.3213 9.6504 9.6647 10.7669 10.7812 11.8678 11.9008 k = 0.0000 0.2000-0.0000 ( 3058 PWs) bands (ev): -6.8870 -6.8862 -6.1131 -6.1129 -2.2384 -2.1548 -2.1381 -2.0478 -1.6249 -1.5440 -1.5190 -1.4195 -1.3797 -1.3668 -0.5438 -0.4948 -0.4622 -0.3100 -0.1794 -0.1775 -0.1101 -0.0146 0.1068 0.1293 1.4404 1.4618 2.9368 2.9652 3.8573 3.8671 4.3005 4.3162 5.1893 5.2070 5.6157 5.6306 8.4057 8.4143 9.6754 9.6918 10.8661 10.8852 11.8660 11.8930 k = 0.0000 0.2125-0.0000 ( 3062 PWs) bands (ev): -6.8686 -6.8678 -6.1158 -6.1156 -2.2386 -2.1567 -2.1322 -2.0433 -1.6251 -1.5438 -1.5139 -1.4114 -1.3789 -1.3675 -0.5445 -0.4936 -0.4630 -0.3063 -0.1793 -0.1752 -0.1018 -0.0140 0.1085 0.1358 1.4377 1.4609 2.8934 2.9209 3.8865 3.8969 4.1870 4.2027 5.1367 5.1543 5.5997 5.6152 8.4978 8.5062 9.7012 9.7197 10.9600 10.9849 11.8708 11.8911 k = 0.0000 0.2250-0.0000 ( 3058 PWs) bands (ev): -6.8495 -6.8486 -6.1189 -6.1187 -2.2386 -2.1586 -2.1261 -2.0387 -1.6252 -1.5436 -1.5090 -1.4036 -1.3775 -1.3679 -0.5450 -0.4927 -0.4631 -0.3028 -0.1811 -0.1708 -0.0934 -0.0138 0.1101 0.1421 1.4345 1.4595 2.8549 2.8811 3.9170 3.9279 4.0743 4.0899 5.0808 5.0982 5.5827 5.5987 8.5887 8.5967 9.7281 9.7487 11.0459 11.0777 11.8829 11.8958 k = 0.0000 0.2375-0.0000 ( 3056 PWs) bands (ev): -6.8296 -6.8287 -6.1225 -6.1222 -2.2384 -2.1604 -2.1200 -2.0342 -1.6250 -1.5436 -1.5043 -1.3966 -1.3755 -1.3677 -0.5455 -0.4924 -0.4623 -0.2994 -0.1830 -0.1665 -0.0849 -0.0139 0.1113 0.1479 1.4311 1.4577 2.8217 2.8466 3.9478 3.9587 3.9641 3.9790 5.0217 5.0389 5.5646 5.5811 8.6783 8.6858 9.7563 9.7788 11.1216 11.1610 11.9026 11.9078 k = 0.0000 0.2500-0.0000 ( 3050 PWs) bands (ev): -6.8091 -6.8082 -6.1265 -6.1262 -2.2379 -2.1621 -2.1136 -2.0298 -1.6247 -1.5438 -1.4998 -1.3909 -1.3730 -1.3663 -0.5457 -0.4924 -0.4608 -0.2962 -0.1851 -0.1621 -0.0765 -0.0144 0.1120 0.1528 1.4275 1.4557 2.7942 2.8177 3.8519 3.8668 3.9822 3.9937 4.9598 4.9767 5.5455 5.5624 8.7666 8.7734 9.7857 9.8103 11.1856 11.2326 11.9268 11.9292 k = 0.0000 0.2625-0.0000 ( 3050 PWs) bands (ev): -6.7880 -6.7871 -6.1311 -6.1307 -2.2373 -2.1639 -2.1073 -2.0256 -1.6243 -1.5443 -1.4956 -1.3875 -1.3699 -1.3631 -0.5458 -0.4927 -0.4587 -0.2931 -0.1875 -0.1578 -0.0681 -0.0150 0.1120 0.1567 1.4242 1.4539 2.7728 2.7947 3.7428 3.7575 4.0160 4.0281 4.8951 4.9119 5.5253 5.5426 8.8534 8.8593 9.8165 9.8430 11.2376 11.2917 11.9516 11.9608 k = 0.0000 0.2750-0.0000 ( 3052 PWs) bands (ev): -6.7664 -6.7655 -6.1361 -6.1357 -2.2365 -2.1656 -2.1010 -2.0216 -1.6238 -1.5450 -1.4917 -1.3863 -1.3663 -1.3579 -0.5457 -0.4932 -0.4561 -0.2901 -0.1901 -0.1537 -0.0599 -0.0158 0.1113 0.1594 1.4216 1.4525 2.7576 2.7779 3.6352 3.6497 4.0508 4.0634 4.8281 4.8446 5.5041 5.5217 8.9386 8.9434 9.8487 9.8770 11.2784 11.3385 11.9795 11.9946 k = 0.0000 0.2875-0.0000 ( 3052 PWs) bands (ev): -6.7444 -6.7434 -6.1418 -6.1413 -2.2356 -2.1673 -2.0946 -2.0178 -1.6231 -1.5459 -1.4881 -1.3865 -1.3621 -1.3516 -0.5454 -0.4937 -0.4531 -0.2871 -0.1930 -0.1498 -0.0519 -0.0166 0.1095 0.1606 1.4201 1.4519 2.7486 2.7672 3.5294 3.5435 4.0865 4.0995 4.7589 4.7752 5.4819 5.4998 9.0221 9.0256 9.8823 9.9123 11.3096 11.3745 12.0074 12.0273 k = 0.0000 0.3000-0.0000 ( 3058 PWs) bands (ev): -6.7220 -6.7210 -6.1480 -6.1475 -2.2344 -2.1690 -2.0882 -2.0142 -1.6222 -1.5472 -1.4847 -1.3877 -1.3576 -1.3448 -0.5449 -0.4941 -0.4498 -0.2841 -0.1964 -0.1462 -0.0441 -0.0175 0.1066 0.1602 1.4202 1.4527 2.7457 2.7627 3.4255 3.4393 4.1230 4.1363 4.6879 4.7039 5.4587 5.4769 9.1037 9.1059 9.9171 9.9487 11.3331 11.4016 12.0323 12.0561 k = 0.0000 0.3125-0.0000 ( 3058 PWs) bands (ev): -6.6993 -6.6982 -6.1549 -6.1543 -2.2331 -2.1707 -2.0817 -2.0108 -1.6213 -1.5486 -1.4815 -1.3894 -1.3527 -1.3379 -0.5441 -0.4945 -0.4461 -0.2810 -0.2002 -0.1430 -0.0366 -0.0184 0.1026 0.1582 1.4224 1.4553 2.7487 2.7641 3.3238 3.3372 4.1600 4.1736 4.6154 4.6312 5.4347 5.4529 9.1833 9.1840 9.9530 9.9860 11.3507 11.4220 12.0519 12.0793 k = 0.0000 0.3250-0.0000 ( 3058 PWs) bands (ev): -6.6763 -6.6753 -6.1624 -6.1618 -2.2316 -2.1724 -2.0753 -2.0077 -1.6202 -1.5504 -1.4785 -1.3915 -1.3474 -1.3311 -0.5431 -0.4948 -0.4421 -0.2778 -0.2045 -0.1402 -0.0294 -0.0192 0.0974 0.1546 1.4272 1.4602 2.7572 2.7709 3.2244 3.2375 4.1974 4.2114 4.5417 4.5572 5.4097 5.4281 9.2599 9.2607 9.9897 10.0238 11.3637 11.4373 12.0650 12.0960 k = 0.0000 0.3375-0.0000 ( 3052 PWs) bands (ev): -6.6533 -6.6522 -6.1706 -6.1700 -2.2299 -2.1740 -2.0689 -2.0048 -1.6189 -1.5523 -1.4756 -1.3938 -1.3418 -1.3245 -0.5418 -0.4951 -0.4378 -0.2744 -0.2094 -0.1381 -0.0224 -0.0199 0.0911 0.1493 1.4350 1.4677 2.7709 2.7827 3.1276 3.1408 4.2352 4.2493 4.4672 4.4825 5.3840 5.4024 9.3333 9.3358 10.0268 10.0618 11.3734 11.4489 12.0713 12.1061 k = 0.0000 0.3500-0.0000 ( 3056 PWs) bands (ev): -6.6302 -6.6291 -6.1794 -6.1788 -2.2281 -2.1758 -2.0626 -2.0023 -1.6176 -1.5545 -1.4729 -1.3964 -1.3362 -1.3182 -0.5403 -0.4953 -0.4331 -0.2708 -0.2149 -0.1366 -0.0206 -0.0157 0.0837 0.1425 1.4461 1.4782 2.7890 2.7982 3.0341 3.0481 4.2731 4.2874 4.3922 4.4072 5.3577 5.3760 9.4043 9.4084 10.0639 10.0993 11.3809 11.4581 12.0711 12.1102 k = 0.0000 0.3625-0.0000 ( 3052 PWs) bands (ev): -6.6071 -6.6061 -6.1890 -6.1883 -2.2261 -2.1775 -2.0564 -2.0001 -1.6160 -1.5568 -1.4702 -1.3991 -1.3305 -1.3124 -0.5384 -0.4954 -0.4279 -0.2669 -0.2210 -0.1359 -0.0212 -0.0094 0.0754 0.1346 1.4607 1.4919 2.8093 2.8133 2.9459 2.9631 4.3108 4.3171 4.3247 4.3324 5.3308 5.3490 9.4726 9.4782 10.1004 10.1358 11.3870 11.4658 12.0649 12.1087 k = 0.0000 0.3750-0.0000 ( 3056 PWs) bands (ev): -6.5842 -6.5832 -6.1992 -6.1985 -2.2241 -2.1793 -2.0503 -1.9983 -1.6144 -1.5595 -1.4675 -1.4021 -1.3248 -1.3070 -0.5364 -0.4957 -0.4223 -0.2628 -0.2279 -0.1361 -0.0217 -0.0034 0.0664 0.1256 1.4789 1.5089 2.8080 2.8146 2.8798 2.9059 4.2422 4.2566 4.3484 4.3629 5.3036 5.3215 9.5381 9.5451 10.1355 10.1705 11.3927 11.4730 12.0533 12.1021 k = 0.0000 0.3875-0.0000 ( 3060 PWs) bands (ev): -6.5616 -6.5605 -6.2101 -6.2094 -2.2220 -2.1811 -2.0444 -1.9969 -1.6126 -1.5622 -1.4649 -1.4052 -1.3193 -1.3022 -0.5341 -0.4960 -0.4162 -0.2585 -0.2353 -0.1372 -0.0221 0.0023 0.0570 0.1161 1.5006 1.5292 2.7507 2.7540 2.8866 2.9078 4.1682 4.1822 4.3853 4.3997 5.2763 5.2937 9.6005 9.6088 10.1685 10.2024 11.3991 11.4806 12.0366 12.0906 k = 0.0000 0.4000-0.0000 ( 3064 PWs) bands (ev): -6.5392 -6.5382 -6.2217 -6.2209 -2.2197 -2.1830 -2.0387 -1.9959 -1.6107 -1.5650 -1.4622 -1.4085 -1.3141 -1.2980 -0.5315 -0.4964 -0.4095 -0.2548 -0.2424 -0.1394 -0.0224 0.0077 0.0475 0.1063 1.5256 1.5525 2.6748 2.6759 2.9179 2.9350 4.0954 4.1090 4.4214 4.4355 5.2491 5.2660 9.6596 9.6689 10.1985 10.2308 11.4071 11.4896 12.0151 12.0741 k = 0.0000 0.4125-0.0000 ( 3070 PWs) bands (ev): -6.5174 -6.5164 -6.2338 -6.2330 -2.2174 -2.1850 -2.0333 -1.9953 -1.6086 -1.5681 -1.4595 -1.4120 -1.3091 -1.2943 -0.5288 -0.4970 -0.4021 -0.2569 -0.2439 -0.1427 -0.0225 0.0127 0.0381 0.0966 1.5535 1.5784 2.5985 2.5992 2.9544 2.9694 4.0246 4.0377 4.4562 4.4698 5.2226 5.2387 9.7151 9.7251 10.2246 10.2548 11.4177 11.5009 11.9891 12.0527 k = 0.0000 0.4250-0.0000 ( 3066 PWs) bands (ev): -6.4963 -6.4952 -6.2464 -6.2456 -2.2150 -2.1870 -2.0280 -1.9951 -1.6063 -1.5711 -1.4566 -1.4154 -1.3043 -1.2912 -0.5259 -0.4978 -0.3941 -0.2655 -0.2392 -0.1471 -0.0223 0.0172 0.0294 0.0873 1.5837 1.6064 2.5255 2.5266 2.9935 3.0069 3.9566 3.9690 4.4893 4.5021 5.1971 5.2121 9.7666 9.7768 10.2463 10.2739 11.4318 11.5148 11.9594 12.0265 k = 0.0000 0.4375-0.0000 ( 3074 PWs) bands (ev): -6.4760 -6.4750 -6.2594 -6.2586 -2.2126 -2.1891 -2.0231 -1.9954 -1.6039 -1.5743 -1.4537 -1.4191 -1.3001 -1.2887 -0.5229 -0.4988 -0.3855 -0.2758 -0.2328 -0.1527 -0.0218 0.0181 0.0247 0.0786 1.6154 1.6355 2.4577 2.4592 3.0335 3.0457 3.8924 3.9041 4.5200 4.5318 5.1734 5.1870 9.8133 9.8235 10.2633 10.2877 11.4500 11.5314 11.9270 11.9961 k = 0.0000 0.4500-0.0000 ( 3070 PWs) bands (ev): -6.4569 -6.4560 -6.2723 -6.2715 -2.2102 -2.1912 -2.0185 -1.9961 -1.6014 -1.5774 -1.4506 -1.4226 -1.2962 -1.2869 -0.5198 -0.5001 -0.3762 -0.2868 -0.2257 -0.1593 -0.0209 0.0116 0.0279 0.0707 1.6471 1.6643 2.3966 2.3986 3.0731 3.0838 3.8337 3.8442 4.5476 4.5579 5.1521 5.1640 9.8545 9.8640 10.2757 10.2964 11.4722 11.5499 11.8939 11.9623 k = 0.0000 0.4625-0.0000 ( 3070 PWs) bands (ev): -6.4396 -6.4388 -6.2847 -6.2840 -2.2077 -2.1934 -2.0142 -1.9973 -1.5987 -1.5806 -1.4474 -1.4263 -1.2929 -1.2858 -0.5168 -0.5018 -0.3662 -0.2982 -0.2180 -0.1668 -0.0194 0.0048 0.0322 0.0636 1.6772 1.6910 2.3444 2.3466 3.1100 3.1190 3.7827 3.7916 4.5711 4.5795 5.1344 5.1440 9.8892 9.8973 10.2842 10.3005 11.4979 11.5681 11.8633 11.9267 k = 0.0000 0.4750-0.0000 ( 3074 PWs) bands (ev): -6.4251 -6.4244 -6.2957 -6.2951 -2.2052 -2.1957 -2.0103 -1.9991 -1.5959 -1.5838 -1.4441 -1.4299 -1.2902 -1.2854 -0.5138 -0.5037 -0.3557 -0.3099 -0.2098 -0.1750 -0.0173 -0.0013 0.0367 0.0572 1.7031 1.7128 2.3036 2.3056 3.1413 3.1480 3.7424 3.7490 4.5895 4.5956 5.1212 5.1280 9.9160 9.9221 10.2897 10.3012 11.5257 11.5815 11.8401 11.8917 k = 0.0000 0.4875-0.0000 ( 3072 PWs) bands (ev): -6.4148 -6.4144 -6.3036 -6.3033 -2.2028 -2.1980 -2.0068 -2.0012 -1.5930 -1.5869 -1.4406 -1.4336 -1.2880 -1.2856 -0.5110 -0.5058 -0.3447 -0.3217 -0.2012 -0.1836 -0.0145 -0.0066 0.0413 0.0514 1.7217 1.7268 2.2776 2.2788 3.1634 3.1670 3.7166 3.7202 4.6019 4.6050 5.1136 5.1171 9.9336 9.9369 10.2936 10.2995 11.5526 11.5846 11.8306 11.8606 k = 0.0000 0.5000-0.0000 ( 3076 PWs) bands (ev): -6.4109 -6.4109 -6.3065 -6.3065 -2.2004 -2.2004 -2.0039 -2.0039 -1.5900 -1.5900 -1.4372 -1.4372 -1.2865 -1.2865 -0.5083 -0.5083 -0.3333 -0.3333 -0.1924 -0.1924 -0.0110 -0.0110 0.0461 0.0461 1.7300 1.7300 2.2690 2.2690 3.1725 3.1725 3.7088 3.7088 4.6071 4.6071 5.1122 5.1122 9.9408 9.9408 10.2968 10.2968 11.5741 11.5741 11.8383 11.8383 k = 0.0000 0.5000-0.0000 ( 3076 PWs) bands (ev): -6.4109 -6.4109 -6.3065 -6.3065 -2.2004 -2.2004 -2.0039 -2.0039 -1.5900 -1.5900 -1.4372 -1.4372 -1.2865 -1.2865 -0.5083 -0.5083 -0.3333 -0.3333 -0.1924 -0.1924 -0.0110 -0.0110 0.0461 0.0461 1.7300 1.7300 2.2690 2.2690 3.1725 3.1725 3.7088 3.7088 4.6071 4.6071 5.1122 5.1122 9.9408 9.9408 10.2968 10.2968 11.5741 11.5741 11.8383 11.8383 k = 0.0125 0.5000-0.0000 ( 3076 PWs) bands (ev): -6.4105 -6.4104 -6.3063 -6.3062 -2.2003 -2.2001 -2.0080 -1.9996 -1.5915 -1.5881 -1.4407 -1.4337 -1.2873 -1.2857 -0.5103 -0.5060 -0.3380 -0.3285 -0.1930 -0.1916 -0.0166 -0.0056 0.0454 0.0472 1.7294 1.7302 2.2690 2.2693 3.1723 3.1736 3.7087 3.7094 4.6019 4.6039 5.1062 5.1110 9.9473 9.9479 10.2971 10.2975 11.5640 11.5649 11.8411 11.8416 k = 0.0250 0.5000-0.0000 ( 3076 PWs) bands (ev): -6.4093 -6.4092 -6.3055 -6.3053 -2.1998 -2.1994 -2.0122 -1.9953 -1.5926 -1.5858 -1.4444 -1.4302 -1.2879 -1.2848 -0.5119 -0.5034 -0.3425 -0.3236 -0.1934 -0.1905 -0.0224 -0.0004 0.0449 0.0484 1.7285 1.7299 2.2694 2.2700 3.1731 3.1756 3.7090 3.7105 4.5883 4.5921 5.0933 5.1027 9.9671 9.9683 10.2983 10.2990 11.5351 11.5371 11.8505 11.8512 k = 0.0375 0.5000-0.0000 ( 3074 PWs) bands (ev): -6.4073 -6.4072 -6.3043 -6.3040 -2.1989 -2.1983 -2.0162 -1.9910 -1.5932 -1.5831 -1.4481 -1.4268 -1.2885 -1.2838 -0.5132 -0.5004 -0.3470 -0.3186 -0.1935 -0.1893 -0.0284 0.0044 0.0448 0.0499 1.7271 1.7292 2.2701 2.2710 3.1748 3.1786 3.7099 3.7121 4.5666 4.5723 5.0735 5.0876 10.0001 10.0017 10.2999 10.3009 11.4891 11.4923 11.8670 11.8675 k = 0.0500 0.5000-0.0000 ( 3070 PWs) bands (ev): -6.4045 -6.4044 -6.3025 -6.3020 -2.1976 -2.1967 -2.0202 -1.9867 -1.5933 -1.5799 -1.4518 -1.4235 -1.2890 -1.2828 -0.5142 -0.4970 -0.3513 -0.3134 -0.1935 -0.1877 -0.0344 0.0087 0.0452 0.0515 1.7252 1.7280 2.2711 2.2723 3.1775 3.1825 3.7113 3.7141 4.5374 4.5448 5.0473 5.0658 10.0454 10.0472 10.3014 10.3028 11.4284 11.4331 11.8901 11.8911 k = 0.0625 0.5000-0.0000 ( 3066 PWs) bands (ev): -6.4009 -6.4008 -6.3001 -6.2996 -2.1960 -2.1948 -2.0241 -1.9824 -1.5930 -1.5765 -1.4556 -1.4202 -1.2894 -1.2818 -0.5149 -0.4933 -0.3554 -0.3082 -0.1933 -0.1859 -0.0405 0.0125 0.0463 0.0532 1.7227 1.7262 2.2723 2.2738 3.1811 3.1873 3.7131 3.7166 4.5012 4.5102 5.0151 5.0378 10.1023 10.1039 10.3020 10.3038 11.3563 11.3624 11.9180 11.9226 k = 0.0750 0.5000-0.0000 ( 3062 PWs) bands (ev): -6.3966 -6.3965 -6.2973 -6.2967 -2.1940 -2.1925 -2.0280 -1.9782 -1.5922 -1.5726 -1.4594 -1.4170 -1.2897 -1.2807 -0.5153 -0.4892 -0.3595 -0.3028 -0.1929 -0.1838 -0.0466 0.0157 0.0479 0.0551 1.7197 1.7237 2.2737 2.2754 3.1858 3.1931 3.7153 3.7195 4.4589 4.4693 4.9774 5.0041 10.1694 10.1703 10.3011 10.3033 11.2755 11.2830 11.9484 11.9602 k = 0.0875 0.5000-0.0000 ( 3062 PWs) bands (ev): -6.3916 -6.3914 -6.2940 -6.2933 -2.1917 -2.1899 -2.0317 -1.9740 -1.5911 -1.5685 -1.4632 -1.4138 -1.2898 -1.2796 -0.5154 -0.4847 -0.3635 -0.2974 -0.1923 -0.1815 -0.0528 0.0183 0.0503 0.0570 1.7159 1.7204 2.2751 2.2770 3.1914 3.1998 3.7179 3.7228 4.4113 4.4230 4.9349 4.9653 10.2440 10.2451 10.2979 10.3014 11.1886 11.1977 11.9756 11.9997 k = 0.1000 0.5000-0.0000 ( 3062 PWs) bands (ev): -6.3858 -6.3857 -6.2903 -6.2895 -2.1891 -2.1868 -2.0354 -1.9698 -1.5893 -1.5640 -1.4671 -1.4108 -1.2899 -1.2784 -0.5153 -0.4799 -0.3673 -0.2920 -0.1916 -0.1788 -0.0589 0.0202 0.0533 0.0591 1.7112 1.7162 2.2764 2.2785 3.1980 3.2074 3.7209 3.7264 4.3593 4.3720 4.8881 4.9219 10.2886 10.2903 10.3291 10.3317 11.0981 11.1089 11.9882 12.0297 k = 0.1125 0.5000-0.0000 ( 3058 PWs) bands (ev): -6.3794 -6.3792 -6.2861 -6.2852 -2.1861 -2.1834 -2.0390 -1.9658 -1.5871 -1.5592 -1.4709 -1.4077 -1.2897 -1.2773 -0.5149 -0.4747 -0.3711 -0.2865 -0.1906 -0.1757 -0.0651 0.0217 0.0568 0.0613 1.7055 1.7109 2.2776 2.2798 3.2056 3.2160 3.7242 3.7302 4.3038 4.3175 4.8378 4.8747 10.2806 10.2808 10.4140 10.4157 11.0063 11.0192 11.9693 12.0216 k = 0.1250 0.5000-0.0000 ( 3054 PWs) bands (ev): -6.3723 -6.3721 -6.2815 -6.2805 -2.1829 -2.1795 -2.0425 -1.9618 -1.5844 -1.5541 -1.4747 -1.4047 -1.2895 -1.2761 -0.5142 -0.4691 -0.3747 -0.2811 -0.1896 -0.1723 -0.0712 0.0229 0.0607 0.0635 1.6987 1.7043 2.2784 2.2807 3.2143 3.2256 3.7277 3.7343 4.2459 4.2603 4.7846 4.8242 10.2666 10.2667 10.4967 10.5025 10.9168 10.9327 11.9082 11.9507 k = 0.1375 0.5000-0.0000 ( 3062 PWs) bands (ev): -6.3646 -6.3644 -6.2765 -6.2754 -2.1795 -2.1754 -2.0459 -1.9579 -1.5813 -1.5488 -1.4786 -1.4019 -1.2892 -1.2749 -0.5133 -0.4632 -0.3782 -0.2757 -0.1884 -0.1684 -0.0773 0.0239 0.0649 0.0658 1.6906 1.6963 2.2787 2.2810 3.2240 3.2361 3.7314 3.7384 4.1863 4.2013 4.7292 4.7713 10.2479 10.2483 10.5664 10.5778 10.8392 10.8595 11.8127 11.8380 k = 0.1500 0.5000-0.0000 ( 3050 PWs) bands (ev): -6.3563 -6.3561 -6.2711 -6.2700 -2.1757 -2.1708 -2.0491 -1.9541 -1.5776 -1.5431 -1.4822 -1.3990 -1.2886 -1.2736 -0.5121 -0.4568 -0.3816 -0.2704 -0.1870 -0.1641 -0.0833 0.0249 0.0683 0.0692 1.6810 1.6867 2.2784 2.2806 3.2348 3.2476 3.7352 3.7426 4.1261 4.1415 4.6724 4.7165 10.2247 10.2257 10.5918 10.6050 10.8081 10.8284 11.6973 11.7091 k = 0.1625 0.5000-0.0000 ( 3056 PWs) bands (ev): -6.3475 -6.3473 -6.2654 -6.2643 -2.1718 -2.1659 -2.0524 -1.9506 -1.5735 -1.5373 -1.4858 -1.3962 -1.2881 -1.2723 -0.5107 -0.4501 -0.3850 -0.2652 -0.1855 -0.1594 -0.0892 0.0258 0.0708 0.0735 1.6696 1.6752 2.2772 2.2793 3.2466 3.2601 3.7391 3.7468 4.0661 4.0817 4.6146 4.6605 10.1971 10.1990 10.5496 10.5552 10.8494 10.8602 11.5724 11.5751 k = 0.1750 0.5000-0.0000 ( 3052 PWs) bands (ev): -6.3383 -6.3381 -6.2594 -6.2582 -2.1677 -2.1606 -2.0555 -1.9471 -1.5688 -1.5313 -1.4892 -1.3934 -1.2873 -1.2711 -0.5089 -0.4430 -0.3882 -0.2601 -0.1839 -0.1542 -0.0950 0.0269 0.0733 0.0779 1.6564 1.6617 2.2751 2.2770 3.2596 3.2735 3.7428 3.7507 4.0071 4.0229 4.5567 4.6040 10.1654 10.1684 10.4735 10.4738 10.9145 10.9177 11.4402 11.4435 k = 0.1875 0.5000-0.0000 ( 3050 PWs) bands (ev): -6.3286 -6.3284 -6.2532 -6.2519 -2.1635 -2.1550 -2.0585 -1.9438 -1.5637 -1.5252 -1.4923 -1.3907 -1.2865 -1.2698 -0.5070 -0.4356 -0.3912 -0.2553 -0.1822 -0.1485 -0.1006 0.0281 0.0760 0.0822 1.6411 1.6461 2.2719 2.2734 3.2735 3.2878 3.7464 3.7543 3.9499 3.9658 4.4991 4.5475 10.1299 10.1341 10.3852 10.3878 10.9735 10.9755 11.3065 11.3134 k = 0.2000 0.5000-0.0000 ( 3054 PWs) bands (ev): -6.3185 -6.3183 -6.2467 -6.2455 -2.1593 -2.1491 -2.0614 -1.9407 -1.5582 -1.5190 -1.4952 -1.3879 -1.2856 -1.2686 -0.5049 -0.4280 -0.3941 -0.2506 -0.1804 -0.1424 -0.1059 0.0294 0.0787 0.0865 1.6236 1.6281 2.2674 2.2685 3.2885 3.3030 3.7495 3.7570 3.8953 3.9114 4.4424 4.4915 10.0910 10.0965 10.2956 10.2999 11.0171 11.0235 11.1755 11.1841 k = 0.2125 0.5000-0.0000 ( 3064 PWs) bands (ev): -6.3081 -6.3079 -6.2401 -6.2388 -2.1551 -2.1429 -2.0643 -1.9378 -1.5524 -1.5128 -1.4978 -1.3852 -1.2847 -1.2676 -0.5026 -0.4201 -0.3968 -0.2463 -0.1786 -0.1361 -0.1108 0.0310 0.0814 0.0907 1.6038 1.6075 2.2615 2.2621 3.3045 3.3191 3.7517 3.7579 3.8443 3.8613 4.3871 4.4367 10.0490 10.0559 10.2070 10.2125 11.0302 11.0546 11.0566 11.0620 k = 0.2250 0.5000-0.0000 ( 3064 PWs) bands (ev): -6.2975 -6.2973 -6.2333 -6.2320 -2.1507 -2.1363 -2.0670 -1.9350 -1.5463 -1.5066 -1.4998 -1.3824 -1.2836 -1.2665 -0.5000 -0.4125 -0.3988 -0.2421 -0.1767 -0.1302 -0.1143 0.0329 0.0842 0.0949 1.5815 1.5845 2.2541 2.2542 3.3214 3.3359 3.7506 3.7538 3.7996 3.8191 4.3336 4.3833 10.0042 10.0127 10.1204 10.1268 10.9173 10.9313 11.0612 11.0684 k = 0.2375 0.5000-0.0000 ( 3064 PWs) bands (ev): -6.2867 -6.2865 -6.2265 -6.2251 -2.1464 -2.1295 -2.0695 -1.9325 -1.5401 -1.5012 -1.5005 -1.3795 -1.2825 -1.2655 -0.4972 -0.4075 -0.3976 -0.2382 -0.1749 -0.1277 -0.1137 0.0350 0.0871 0.0989 1.5566 1.5588 2.2445 2.2451 3.3393 3.3536 3.7343 3.7358 3.7735 3.7940 4.2824 4.3319 9.9570 9.9674 10.0363 10.0437 10.7961 10.8094 11.0567 11.0654 k = 0.2500 0.5000-0.0000 ( 3070 PWs) bands (ev): -6.2757 -6.2755 -6.2196 -6.2182 -2.1422 -2.1225 -2.0720 -1.9302 -1.5340 -1.5018 -1.4946 -1.3766 -1.2814 -1.2648 -0.4942 -0.4078 -0.3908 -0.2346 -0.1730 -0.1300 -0.1076 0.0375 0.0900 0.1028 1.5293 1.5304 2.2332 2.2345 3.3579 3.3719 3.7002 3.7038 3.7689 3.7863 4.2336 4.2827 9.9075 9.9202 9.9554 9.9639 10.6784 10.6910 11.0389 11.0481 k = 0.2625 0.5000-0.0000 ( 3070 PWs) bands (ev): -6.2647 -6.2645 -6.2126 -6.2113 -2.1381 -2.1153 -2.0742 -1.9281 -1.5285 -1.5009 -1.4888 -1.3734 -1.2803 -1.2641 -0.4911 -0.4098 -0.3819 -0.2312 -0.1712 -0.1336 -0.0992 0.0403 0.0929 0.1065 1.4995 1.4996 2.2203 2.2222 3.3774 3.3908 3.6654 3.6696 3.7688 3.7845 4.1876 4.2361 9.8551 9.8700 9.8793 9.8887 10.5651 10.5767 11.0101 11.0193 k = 0.2750 0.5000-0.0000 ( 3066 PWs) bands (ev): -6.2537 -6.2535 -6.2057 -6.2044 -2.1341 -2.1079 -2.0761 -1.9262 -1.5239 -1.4982 -1.4834 -1.3701 -1.2792 -1.2636 -0.4878 -0.4120 -0.3724 -0.2280 -0.1694 -0.1375 -0.0897 0.0436 0.0959 0.1101 1.4664 1.4674 2.2058 2.2084 3.3974 3.4103 3.6339 3.6378 3.7691 3.7840 4.1446 4.1921 9.7968 9.8019 9.8218 9.8236 10.4564 10.4668 10.9728 10.9816 k = 0.2875 0.5000-0.0000 ( 3074 PWs) bands (ev): -6.2427 -6.2426 -6.1989 -6.1975 -2.1304 -2.1009 -2.0776 -1.9247 -1.5209 -1.4934 -1.4785 -1.3666 -1.2782 -1.2635 -0.4844 -0.4143 -0.3625 -0.2251 -0.1677 -0.1412 -0.0795 0.0472 0.0989 0.1135 1.4310 1.4332 2.1898 2.1932 3.4180 3.4301 3.6065 3.6096 3.7691 3.7835 4.1047 4.1511 9.7316 9.7321 9.7643 9.7732 10.3527 10.3616 10.9292 10.9376 k = 0.3000 0.5000-0.0000 ( 3070 PWs) bands (ev): -6.2319 -6.2318 -6.1921 -6.1908 -2.1268 -2.0946 -2.0778 -1.9233 -1.5188 -1.4868 -1.4738 -1.3629 -1.2772 -1.2635 -0.4809 -0.4165 -0.3523 -0.2225 -0.1661 -0.1447 -0.0687 0.0513 0.1020 0.1168 1.3938 1.3970 2.1725 2.1766 3.4390 3.4502 3.5834 3.5855 3.7685 3.7826 4.0679 4.1129 9.6649 9.6670 9.7106 9.7227 10.2544 10.2615 10.8813 10.8892 k = 0.3125 0.5000-0.0000 ( 3074 PWs) bands (ev): -6.2213 -6.2212 -6.1856 -6.1843 -2.1236 -2.0908 -2.0754 -1.9223 -1.5172 -1.4790 -1.4698 -1.3589 -1.2763 -1.2640 -0.4775 -0.4186 -0.3419 -0.2200 -0.1646 -0.1478 -0.0574 0.0558 0.1051 0.1198 1.3550 1.3593 2.1541 2.1588 3.4602 3.4704 3.5644 3.5656 3.7671 3.7809 4.0342 4.0778 9.6021 9.6047 9.6583 9.6723 10.1616 10.1669 10.8306 10.8380 k = 0.3250 0.5000-0.0000 ( 3074 PWs) bands (ev): -6.2110 -6.2110 -6.1792 -6.1780 -2.1205 -2.0900 -2.0696 -1.9216 -1.5157 -1.4703 -1.4664 -1.3547 -1.2755 -1.2647 -0.4740 -0.4207 -0.3315 -0.2178 -0.1632 -0.1507 -0.0455 0.0608 0.1082 0.1226 1.3151 1.3204 2.1349 2.1402 3.4814 3.4906 3.5496 3.5498 3.7649 3.7784 4.0035 4.0455 9.5434 9.5459 9.6068 9.6222 10.0746 10.0781 10.7786 10.7855 k = 0.3375 0.5000-0.0000 ( 3074 PWs) bands (ev): -6.2011 -6.2010 -6.1730 -6.1719 -2.1178 -2.0907 -2.0622 -1.9213 -1.5141 -1.4634 -1.4611 -1.3502 -1.2748 -1.2659 -0.4705 -0.4227 -0.3210 -0.2158 -0.1620 -0.1532 -0.0332 0.0663 0.1112 0.1252 1.2744 1.2807 2.1151 2.1208 3.5021 3.5107 3.5383 3.5385 3.7619 3.7751 3.9759 4.0161 9.4888 9.4910 9.5565 9.5728 9.9937 9.9953 10.7264 10.7328 k = 0.3500 0.5000-0.0000 ( 3074 PWs) bands (ev): -6.1916 -6.1915 -6.1672 -6.1661 -2.1153 -2.0918 -2.0540 -1.9214 -1.5122 -1.4611 -1.4516 -1.3456 -1.2743 -1.2675 -0.4671 -0.4245 -0.3105 -0.2139 -0.1610 -0.1554 -0.0204 0.0723 0.1143 0.1275 1.2335 1.2405 2.0951 2.1012 3.5193 3.5304 3.5309 3.5336 3.7579 3.7709 3.9510 3.9894 9.4384 9.4400 9.5077 9.5244 9.9188 9.9189 10.6749 10.6808 k = 0.3625 0.5000-0.0000 ( 3080 PWs) bands (ev): -6.1826 -6.1825 -6.1616 -6.1606 -2.1132 -2.0931 -2.0456 -1.9218 -1.5101 -1.4595 -1.4418 -1.3409 -1.2740 -1.2696 -0.4639 -0.4263 -0.3001 -0.2123 -0.1602 -0.1572 -0.0072 0.0786 0.1174 0.1295 1.1928 1.2005 2.0752 2.0814 3.5209 3.5266 3.5474 3.5498 3.7531 3.7657 3.9287 3.9652 9.3921 9.3929 9.4607 9.4773 9.8488 9.8503 10.6249 10.6303 k = 0.3750 0.5000-0.0000 ( 3080 PWs) bands (ev): -6.1741 -6.1741 -6.1564 -6.1555 -2.1113 -2.0944 -2.0370 -1.9227 -1.5076 -1.4584 -1.4318 -1.3361 -1.2739 -1.2721 -0.4609 -0.4280 -0.2900 -0.2109 -0.1595 -0.1587 0.0062 0.0854 0.1204 0.1312 1.1529 1.1611 2.0556 2.0620 3.5195 3.5251 3.5667 3.5685 3.7474 3.7597 3.9089 3.9435 9.3498 9.3499 9.4162 9.4321 9.7854 9.7881 10.5771 10.5821 k = 0.3875 0.5000-0.0000 ( 3088 PWs) bands (ev): -6.1663 -6.1662 -6.1515 -6.1507 -2.1097 -2.0957 -2.0285 -1.9241 -1.5049 -1.4580 -1.4217 -1.3313 -1.2751 -1.2740 -0.4580 -0.4296 -0.2802 -0.2097 -0.1600 -0.1591 0.0198 0.0925 0.1233 0.1326 1.1142 1.1228 2.0369 2.0431 3.5200 3.5262 3.5859 3.5864 3.7409 3.7529 3.8914 3.9238 9.3105 9.3118 9.3746 9.3892 9.7285 9.7322 10.5321 10.5366 k = 0.4000 0.5000-0.0000 ( 3098 PWs) bands (ev): -6.1591 -6.1591 -6.1470 -6.1464 -2.1084 -2.0969 -2.0200 -1.9260 -1.5019 -1.4581 -1.4116 -1.3267 -1.2787 -1.2744 -0.4554 -0.4312 -0.2708 -0.2088 -0.1610 -0.1588 0.0335 0.0996 0.1261 0.1335 1.0775 1.0861 2.0192 2.0252 3.5226 3.5294 3.6034 3.6043 3.7337 3.7454 3.8759 3.9062 9.2750 9.2776 9.3365 9.3492 9.6783 9.6825 10.4904 10.4945 k = 0.4125 0.5000-0.0000 ( 3100 PWs) bands (ev): -6.1528 -6.1526 -6.1430 -6.1424 -2.1073 -2.0980 -2.0116 -1.9284 -1.4987 -1.4587 -1.4014 -1.3223 -1.2825 -1.2750 -0.4529 -0.4326 -0.2618 -0.2082 -0.1617 -0.1587 0.0471 0.1068 0.1289 0.1341 1.0432 1.0516 2.0029 2.0085 3.5271 3.5343 3.6194 3.6215 3.7260 3.7372 3.8623 3.8903 9.2433 9.2471 9.3023 9.3128 9.6345 9.6389 10.4526 10.4562 k = 0.4250 0.5000-0.0000 ( 3100 PWs) bands (ev): -6.1472 -6.1470 -6.1393 -6.1389 -2.1063 -2.0989 -2.0033 -1.9312 -1.4953 -1.4598 -1.3913 -1.3185 -1.2865 -1.2759 -0.4507 -0.4339 -0.2534 -0.2080 -0.1622 -0.1588 0.0603 0.1138 0.1314 0.1342 1.0119 1.0200 1.9882 1.9933 3.5330 3.5405 3.6340 3.6374 3.7180 3.7287 3.8506 3.8761 9.2153 9.2203 9.2725 9.2805 9.5970 9.6013 10.4190 10.4221 k = 0.4375 0.5000-0.0000 ( 3108 PWs) bands (ev): -6.1425 -6.1423 -6.1361 -6.1358 -2.1055 -2.0998 -1.9952 -1.9346 -1.4918 -1.4614 -1.3813 -1.3157 -1.2903 -1.2771 -0.4488 -0.4352 -0.2456 -0.2081 -0.1626 -0.1591 0.0729 0.1203 0.1337 0.1338 0.9843 0.9916 1.9755 1.9799 3.5400 3.5474 3.6472 3.6514 3.7101 3.7200 3.8407 3.8634 9.1912 9.1969 9.2474 9.2529 9.5657 9.5696 10.3899 10.3925 k = 0.4500 0.5000-0.0000 ( 3108 PWs) bands (ev): -6.1387 -6.1385 -6.1333 -6.1331 -2.1049 -2.1005 -1.9874 -1.9386 -1.4882 -1.4633 -1.3715 -1.3148 -1.2929 -1.2786 -0.4470 -0.4365 -0.2385 -0.2088 -0.1626 -0.1594 0.0847 0.1261 0.1326 0.1358 0.9609 0.9672 1.9648 1.9685 3.5475 3.5546 3.6585 3.6633 3.7028 3.7116 3.8327 3.8521 9.1712 9.1770 9.2269 9.2303 9.5404 9.5437 10.3658 10.3679 k = 0.4625 0.5000-0.0000 ( 3100 PWs) bands (ev): -6.1359 -6.1357 -6.1310 -6.1309 -2.1042 -2.1011 -1.9798 -1.9430 -1.4845 -1.4655 -1.3619 -1.3168 -1.2934 -1.2803 -0.4453 -0.4376 -0.2322 -0.2100 -0.1625 -0.1598 0.0954 0.1301 0.1317 0.1375 0.9422 0.9473 1.9565 1.9594 3.5550 3.5612 3.6674 3.6722 3.6970 3.7042 3.8268 3.8423 9.1556 9.1607 9.2111 9.2130 9.5209 9.5236 10.3468 10.3484 k = 0.4750 0.5000-0.0000 ( 3100 PWs) bands (ev): -6.1339 -6.1337 -6.1292 -6.1292 -2.1036 -2.1017 -1.9726 -1.9480 -1.4809 -1.4680 -1.3527 -1.3216 -1.2920 -1.2824 -0.4438 -0.4388 -0.2266 -0.2119 -0.1623 -0.1603 0.1047 0.1279 0.1350 0.1387 0.9288 0.9323 1.9506 1.9525 3.5617 3.5665 3.6731 3.6774 3.6938 3.6988 3.8232 3.8342 9.1445 9.1483 9.1999 9.2009 9.5073 9.5091 10.3332 10.3342 k = 0.4875 0.5000-0.0000 ( 3108 PWs) bands (ev): -6.1328 -6.1327 -6.1281 -6.1281 -2.1032 -2.1022 -1.9658 -1.9535 -1.4774 -1.4710 -1.3439 -1.3281 -1.2898 -1.2848 -0.4425 -0.4400 -0.2218 -0.2144 -0.1619 -0.1609 0.1126 0.1241 0.1374 0.1392 0.9210 0.9228 1.9472 1.9482 3.5669 3.5695 3.6756 3.6782 3.6939 3.6963 3.8221 3.8278 9.1382 9.1403 9.1933 9.1937 9.4993 9.5002 10.3250 10.3256 k = 0.5000 0.5000-0.0000 ( 3104 PWs) bands (ev): -6.1323 -6.1323 -6.1277 -6.1277 -2.1027 -2.1027 -1.9594 -1.9594 -1.4741 -1.4741 -1.3356 -1.3356 -1.2872 -1.2872 -0.4412 -0.4412 -0.2177 -0.2177 -0.1614 -0.1614 0.1191 0.1191 0.1389 0.1389 0.9190 0.9190 1.9464 1.9464 3.5697 3.5697 3.6770 3.6770 3.6951 3.6951 3.8237 3.8237 9.1368 9.1368 9.1912 9.1912 9.4970 9.4970 10.3225 10.3225 k = 0.5000 0.5000-0.0000 ( 3104 PWs) bands (ev): -6.1323 -6.1323 -6.1277 -6.1277 -2.1027 -2.1027 -1.9594 -1.9594 -1.4741 -1.4741 -1.3356 -1.3356 -1.2872 -1.2872 -0.4412 -0.4412 -0.2177 -0.2177 -0.1614 -0.1614 0.1191 0.1191 0.1389 0.1389 0.9190 0.9190 1.9464 1.9464 3.5697 3.5697 3.6770 3.6770 3.6951 3.6951 3.8237 3.8237 9.1368 9.1368 9.1912 9.1912 9.4970 9.4970 10.3225 10.3225 k = 0.4912 0.4912-0.0000 ( 3106 PWs) bands (ev): -6.1328 -6.1327 -6.1281 -6.1281 -2.1032 -2.1022 -1.9658 -1.9535 -1.4774 -1.4710 -1.3439 -1.3281 -1.2898 -1.2848 -0.4424 -0.4400 -0.2217 -0.2145 -0.1619 -0.1609 0.1126 0.1241 0.1376 0.1391 0.9209 0.9228 1.9472 1.9482 3.5669 3.5695 3.6755 3.6784 3.6938 3.6963 3.8221 3.8278 9.1382 9.1401 9.1934 9.1936 9.4992 9.5002 10.3250 10.3255 k = 0.4825 0.4825-0.0000 ( 3098 PWs) bands (ev): -6.1344 -6.1341 -6.1287 -6.1287 -2.1036 -2.1017 -1.9725 -1.9480 -1.4808 -1.4681 -1.3527 -1.3213 -1.2923 -1.2823 -0.4438 -0.4388 -0.2265 -0.2120 -0.1623 -0.1602 0.1044 0.1281 0.1358 0.1381 0.9286 0.9321 1.9506 1.9525 3.5614 3.5662 3.6729 3.6785 3.6939 3.6984 3.8232 3.8342 9.1438 9.1468 9.2011 9.2016 9.5070 9.5087 10.3330 10.3341 k = 0.4737 0.4737-0.0000 ( 3098 PWs) bands (ev): -6.1377 -6.1373 -6.1292 -6.1291 -2.1041 -2.1012 -1.9796 -1.9431 -1.4843 -1.4655 -1.3621 -1.3154 -1.2949 -1.2799 -0.4452 -0.4377 -0.2319 -0.2103 -0.1627 -0.1595 0.0943 0.1306 0.1340 0.1365 0.9416 0.9466 1.9566 1.9595 3.5535 3.5596 3.6675 3.6742 3.6983 3.7031 3.8271 3.8428 9.1521 9.1547 9.2153 9.2180 9.5197 9.5223 10.3467 10.3483 k = 0.4649 0.4649-0.0000 ( 3112 PWs) bands (ev): -6.1427 -6.1422 -6.1293 -6.1292 -2.1047 -2.1008 -1.9872 -1.9387 -1.4881 -1.4634 -1.3721 -1.3104 -1.2975 -1.2777 -0.4467 -0.4368 -0.2382 -0.2095 -0.1632 -0.1586 0.0824 0.1286 0.1323 0.1376 0.9594 0.9658 1.9653 1.9691 3.5432 3.5497 3.6589 3.6659 3.7069 3.7110 3.8339 3.8536 9.1612 9.1624 9.2383 9.2442 9.5371 9.5403 10.3659 10.3681 k = 0.4561 0.4561-0.0000 ( 3104 PWs) bands (ev): -6.1493 -6.1487 -6.1292 -6.1291 -2.1052 -2.1001 -1.9949 -1.9348 -1.4915 -1.4615 -1.3824 -1.3062 -1.3001 -1.2755 -0.4483 -0.4358 -0.2451 -0.2094 -0.1633 -0.1575 0.0691 0.1234 0.1309 0.1406 0.9814 0.9889 1.9769 1.9816 3.5308 3.5366 3.6473 3.6547 3.7186 3.7219 3.8437 3.8664 9.1701 9.1706 9.2708 9.2801 9.5585 9.5622 10.3908 10.3936 k = 0.4474 0.4474-0.0000 ( 3106 PWs) bands (ev): -6.1575 -6.1568 -6.1290 -6.1289 -2.1058 -2.0996 -2.0030 -1.9315 -1.4950 -1.4600 -1.3932 -1.3030 -1.3026 -1.2735 -0.4500 -0.4349 -0.2529 -0.2101 -0.1634 -0.1563 0.0548 0.1169 0.1297 0.1440 1.0068 1.0152 1.9915 1.9970 3.5162 3.5207 3.6332 3.6412 3.7331 3.7355 3.8564 3.8814 9.1788 9.1806 9.3125 9.3248 9.5832 9.5873 10.4213 10.4247 k = 0.4386 0.4386-0.0000 ( 3096 PWs) bands (ev): -6.1670 -6.1662 -6.1288 -6.1287 -2.1063 -2.0989 -2.0113 -1.9286 -1.4982 -1.4587 -1.4041 -1.3050 -1.3006 -1.2715 -0.4518 -0.4341 -0.2613 -0.2113 -0.1631 -0.1550 0.0401 0.1097 0.1289 0.1477 1.0349 1.0439 2.0093 2.0156 3.4997 3.5020 3.6168 3.6256 3.7501 3.7518 3.8720 3.8986 9.1892 9.1918 9.3627 9.3776 9.6107 9.6150 10.4575 10.4616 k = 0.4298 0.4298-0.0000 ( 3096 PWs) bands (ev): -6.1780 -6.1771 -6.1285 -6.1283 -2.1070 -2.0983 -2.0198 -1.9264 -1.5014 -1.4581 -1.4153 -1.3074 -1.2991 -1.2699 -0.4538 -0.4334 -0.2704 -0.2131 -0.1625 -0.1539 0.0253 0.1021 0.1283 0.1515 1.0648 1.0744 2.0305 2.0374 3.4811 3.4814 3.5985 3.6082 3.7696 3.7707 3.8905 3.9180 9.2015 9.2049 9.4208 9.4378 9.6402 9.6448 10.4992 10.5041 k = 0.4211 0.4211-0.0000 ( 3084 PWs) bands (ev): -6.1903 -6.1893 -6.1281 -6.1280 -2.1078 -2.0977 -2.0284 -1.9247 -1.5042 -1.4577 -1.4265 -1.3096 -1.2984 -1.2684 -0.4559 -0.4328 -0.2801 -0.2153 -0.1615 -0.1531 0.0110 0.0945 0.1279 0.1555 1.0958 1.1059 2.0552 2.0628 3.4583 3.4615 3.5786 3.5892 3.7914 3.7920 3.9117 3.9396 9.2161 9.2200 9.4862 9.5051 9.6714 9.6762 10.5465 10.5521 k = 0.4123 0.4123-0.0000 ( 3078 PWs) bands (ev): -6.2039 -6.2028 -6.1277 -6.1275 -2.1088 -2.0972 -2.0370 -1.9236 -1.5068 -1.4579 -1.4376 -1.3118 -1.2985 -1.2673 -0.4581 -0.4324 -0.2903 -0.2178 -0.1601 -0.1527 -0.0025 0.0869 0.1278 0.1596 1.1272 1.1377 2.0837 2.0917 3.4339 3.4403 3.5574 3.5690 3.8156 3.8157 3.9355 3.9634 9.2330 9.2373 9.5586 9.5787 9.7036 9.7088 10.5989 10.6054 k = 0.4035 0.4035-0.0000 ( 3078 PWs) bands (ev): -6.2187 -6.2176 -6.1272 -6.1271 -2.1101 -2.0967 -2.0457 -1.9231 -1.5091 -1.4591 -1.4482 -1.3140 -1.2993 -1.2666 -0.4606 -0.4322 -0.3008 -0.2205 -0.1582 -0.1529 -0.0150 0.0795 0.1278 0.1638 1.1585 1.1694 2.1160 2.1244 3.4083 3.4179 3.5352 3.5478 3.8418 3.8421 3.9618 3.9894 9.2524 9.2568 9.6373 9.6579 9.7368 9.7427 10.6563 10.6637 k = 0.3947 0.3947-0.0000 ( 3074 PWs) bands (ev): -6.2347 -6.2335 -6.1267 -6.1266 -2.1115 -2.0963 -2.0544 -1.9231 -1.5110 -1.4639 -1.4553 -1.3161 -1.3007 -1.2664 -0.4631 -0.4323 -0.3115 -0.2233 -0.1559 -0.1539 -0.0261 0.0723 0.1280 0.1680 1.1890 1.2003 2.1524 2.1611 3.3820 3.3946 3.5123 3.5259 3.8702 3.8708 3.9905 4.0175 9.2740 9.2786 9.7211 9.7393 9.7711 9.7802 10.7182 10.7266 k = 0.3860 0.3860-0.0000 ( 3070 PWs) bands (ev): -6.2518 -6.2506 -6.1261 -6.1260 -2.1132 -2.0960 -2.0629 -1.9237 -1.5126 -1.4735 -1.4577 -1.3181 -1.3027 -1.2666 -0.4658 -0.4326 -0.3223 -0.2260 -0.1558 -0.1530 -0.0358 0.0653 0.1284 0.1724 1.2184 1.2302 2.1929 2.2016 3.3551 3.3708 3.4891 3.5036 3.9008 3.9017 4.0215 4.0479 9.2978 9.3024 9.7960 9.7991 9.8202 9.8447 10.7840 10.7934 k = 0.3772 0.3772-0.0000 ( 3074 PWs) bands (ev): -6.2700 -6.2687 -6.1256 -6.1254 -2.1154 -2.0959 -2.0712 -1.9249 -1.5138 -1.4841 -1.4593 -1.3202 -1.3053 -1.2674 -0.4687 -0.4331 -0.3331 -0.2287 -0.1586 -0.1497 -0.0439 0.0586 0.1288 0.1767 1.2463 1.2585 2.2373 2.2460 3.3281 3.3468 3.4658 3.4813 3.9336 3.9346 4.0547 4.0802 9.3235 9.3281 9.8338 9.8361 9.9112 9.9367 10.8531 10.8637 k = 0.3684 0.3684-0.0000 ( 3070 PWs) bands (ev): -6.2892 -6.2879 -6.1249 -6.1248 -2.1178 -2.0958 -2.0792 -1.9265 -1.5145 -1.4947 -1.4608 -1.3222 -1.3083 -1.2687 -0.4716 -0.4340 -0.3438 -0.2312 -0.1623 -0.1459 -0.0505 0.0520 0.1295 0.1810 1.2724 1.2852 2.2857 2.2943 3.3013 3.3228 3.4430 3.4594 3.9684 3.9695 4.0900 4.1145 9.3509 9.3554 9.8674 9.8699 10.0108 10.0356 10.9247 10.9366 k = 0.3596 0.3596-0.0000 ( 3082 PWs) bands (ev): -6.3093 -6.3079 -6.1243 -6.1242 -2.1210 -2.0960 -2.0866 -1.9286 -1.5150 -1.5051 -1.4625 -1.3243 -1.3118 -1.2705 -0.4748 -0.4352 -0.3542 -0.2336 -0.1668 -0.1418 -0.0557 0.0456 0.1301 0.1851 1.2967 1.3101 2.3379 2.3461 3.2750 3.2991 3.4208 3.4381 4.0052 4.0063 4.1272 4.1508 9.3796 9.3839 9.9004 9.9028 10.1147 10.1387 10.9979 11.0112 k = 0.3509 0.3509-0.0000 ( 3090 PWs) bands (ev): -6.3303 -6.3289 -6.1236 -6.1235 -2.1248 -2.0964 -2.0935 -1.9312 -1.5151 -1.5149 -1.4643 -1.3264 -1.3158 -1.2728 -0.4779 -0.4366 -0.3642 -0.2358 -0.1717 -0.1373 -0.0598 0.0392 0.1308 0.1891 1.3190 1.3331 2.3936 2.4013 3.2495 3.2760 3.3997 3.4179 4.0440 4.0450 4.1664 4.1888 9.4091 9.4131 9.9330 9.9352 10.2220 10.2447 11.0717 11.0864 k = 0.3421 0.3421-0.0000 ( 3093 PWs) bands (ev): -6.3520 -6.3506 -6.1229 -6.1228 -2.1292 -2.0995 -2.0968 -1.9342 -1.5248 -1.5145 -1.4661 -1.3284 -1.3201 -1.2756 -0.4812 -0.4384 -0.3739 -0.2378 -0.1769 -0.1323 -0.0630 0.0330 0.1316 0.1929 1.3394 1.3541 2.4524 2.4596 3.2250 3.2539 3.3801 3.3992 4.0845 4.0855 4.2073 4.2286 9.4387 9.4424 9.9654 9.9674 10.3317 10.3528 11.1448 11.1611 k = 0.3333 0.3333-0.0000 ( 3089 PWs) bands (ev): -6.3745 -6.3730 -6.1222 -6.1221 -2.1343 -2.1047 -2.0975 -1.9374 -1.5341 -1.5136 -1.4680 -1.3304 -1.3246 -1.2788 -0.4844 -0.4404 -0.3830 -0.2398 -0.1822 -0.1271 -0.0656 0.0267 0.1324 0.1964 1.3579 1.3733 2.5139 2.5205 3.2019 3.2329 3.3625 3.3823 4.1269 4.1276 4.2499 4.2699 9.4677 9.4711 9.9978 9.9996 10.4430 10.4618 11.2158 11.2339 k = 0.3246 0.3246-0.0000 ( 3085 PWs) bands (ev): -6.3975 -6.3960 -6.1215 -6.1213 -2.1400 -2.1092 -2.0983 -1.9409 -1.5429 -1.5123 -1.4700 -1.3324 -1.3295 -1.2825 -0.4877 -0.4426 -0.3917 -0.2417 -0.1871 -0.1216 -0.0677 0.0205 0.1333 0.1995 1.3745 1.3905 2.5778 2.5836 3.1804 3.2132 3.3472 3.3679 4.1709 4.1713 4.2940 4.3128 9.4953 9.4982 10.0307 10.0321 10.5546 10.5706 11.2833 11.3032 k = 0.3158 0.3158-0.0000 ( 3077 PWs) bands (ev): -6.4211 -6.4196 -6.1207 -6.1206 -2.1461 -2.1131 -2.0993 -1.9447 -1.5513 -1.5107 -1.4720 -1.3345 -1.3344 -1.2866 -0.4910 -0.4450 -0.3998 -0.2437 -0.1917 -0.1159 -0.0696 0.0142 0.1339 0.2022 1.3894 1.4061 2.6432 2.6482 3.1607 3.1953 3.3350 3.3564 4.2164 4.2165 4.3396 4.3571 9.5202 9.5226 10.0645 10.0655 10.6651 10.6775 11.3455 11.3674 k = 0.3070 0.3070-0.0000 ( 3069 PWs) bands (ev): -6.4452 -6.4437 -6.1199 -6.1198 -2.1524 -2.1165 -2.1005 -1.9488 -1.5592 -1.5087 -1.4740 -1.3398 -1.3365 -1.2911 -0.4943 -0.4476 -0.4074 -0.2459 -0.1956 -0.1100 -0.0714 0.0078 0.1345 0.2044 1.4026 1.4199 2.7095 2.7137 3.1429 3.1791 3.3265 3.3486 4.2631 4.2634 4.3865 4.4026 9.5413 9.5432 10.0999 10.1004 10.7726 10.7807 11.4007 11.4245 k = 0.2982 0.2982-0.0000 ( 3069 PWs) bands (ev): -6.4696 -6.4681 -6.1191 -6.1190 -2.1587 -2.1197 -2.1019 -1.9532 -1.5667 -1.5066 -1.4762 -1.3453 -1.3386 -1.2961 -0.4976 -0.4503 -0.4145 -0.2485 -0.1988 -0.1040 -0.0732 0.0014 0.1349 0.2060 1.4142 1.4322 2.7756 2.7790 3.1274 3.1650 3.3227 3.3454 4.3110 4.3117 4.4346 4.4492 9.5572 9.5585 10.1374 10.1374 10.8745 10.8778 11.4470 11.4728 k = 0.2895 0.2895-0.0000 ( 3063 PWs) bands (ev): -6.4944 -6.4929 -6.1183 -6.1182 -2.1650 -2.1226 -2.1036 -1.9577 -1.5737 -1.5042 -1.4785 -1.3509 -1.3406 -1.3014 -0.5008 -0.4532 -0.4210 -0.2513 -0.2012 -0.0979 -0.0751 -0.0052 0.1352 0.2071 1.4244 1.4429 2.8403 2.8428 3.1142 3.1530 3.3249 3.3481 4.3600 4.3612 4.4837 4.4968 9.5665 9.5674 10.1773 10.1778 10.9655 10.9679 11.4827 11.5103 k = 0.2807 0.2807-0.0000 ( 3069 PWs) bands (ev): -6.5193 -6.5178 -6.1175 -6.1174 -2.1712 -2.1255 -2.1054 -1.9624 -1.5804 -1.5018 -1.4809 -1.3566 -1.3426 -1.3071 -0.5040 -0.4561 -0.4270 -0.2546 -0.2030 -0.0919 -0.0772 -0.0118 0.1351 0.2074 1.4333 1.4523 2.9016 2.9036 3.1034 3.1433 3.3347 3.3581 4.4101 4.4118 4.5338 4.5453 9.5682 9.5686 10.2207 10.2217 11.0404 11.0488 11.5063 11.5355 k = 0.2719 0.2719-0.0000 ( 3069 PWs) bands (ev): -6.5444 -6.5430 -6.1166 -6.1166 -2.1771 -2.1281 -2.1075 -1.9673 -1.5865 -1.4993 -1.4833 -1.3623 -1.3446 -1.3131 -0.5072 -0.4590 -0.4324 -0.2581 -0.2041 -0.0858 -0.0794 -0.0186 0.1348 0.2071 1.4408 1.4603 2.9575 2.9594 3.0953 3.1361 3.3544 3.3773 4.4611 4.4635 4.5846 4.5946 9.5613 9.5614 10.2680 10.2695 11.0984 11.1126 11.5169 11.5473 k = 0.2632 0.2632-0.0000 ( 3069 PWs) bands (ev): -6.5696 -6.5681 -6.1158 -6.1157 -2.1827 -2.1307 -2.1097 -1.9723 -1.5922 -1.4967 -1.4858 -1.3679 -1.3465 -1.3194 -0.5102 -0.4619 -0.4372 -0.2618 -0.2046 -0.0818 -0.0799 -0.0254 0.1343 0.2061 1.4472 1.4670 3.0059 3.0084 3.0899 3.1313 3.3859 3.4076 4.5129 4.5159 4.6360 4.6444 9.5449 9.5453 10.3194 10.3213 11.1356 11.1547 11.5140 11.5452 k = 0.2544 0.2544-0.0000 ( 3069 PWs) bands (ev): -6.5947 -6.5933 -6.1150 -6.1149 -2.1881 -2.1330 -2.1120 -1.9774 -1.5974 -1.4943 -1.4884 -1.3734 -1.3483 -1.3260 -0.5131 -0.4649 -0.4415 -0.2658 -0.2047 -0.0844 -0.0742 -0.0323 0.1334 0.2042 1.4526 1.4726 3.0459 3.0492 3.0874 3.1292 3.4299 3.4499 4.5654 4.5691 4.6880 4.6947 9.5192 9.5199 10.3748 10.3770 11.1493 11.1717 11.4979 11.5294 k = 0.2456 0.2456-0.0000 ( 3069 PWs) bands (ev): -6.6198 -6.6184 -6.1142 -6.1141 -2.1932 -2.1353 -2.1145 -1.9826 -1.6022 -1.4921 -1.4912 -1.3787 -1.3500 -1.3328 -0.5159 -0.4678 -0.4454 -0.2697 -0.2045 -0.0873 -0.0688 -0.0390 0.1323 0.2017 1.4569 1.4771 3.0779 3.0801 3.0901 3.1296 3.4860 3.5036 4.6184 4.6229 4.7402 4.7452 9.4842 9.4851 10.4341 10.4366 11.1384 11.1620 11.4692 11.5006 k = 0.2368 0.2368-0.0000 ( 3063 PWs) bands (ev): -6.6447 -6.6433 -6.1133 -6.1133 -2.1979 -2.1373 -2.1170 -1.9878 -1.6065 -1.4940 -1.4903 -1.3835 -1.3515 -1.3398 -0.5185 -0.4706 -0.4487 -0.2737 -0.2040 -0.0904 -0.0644 -0.0451 0.1309 0.1984 1.4603 1.4806 3.0885 3.1039 3.1121 3.1328 3.5519 3.5672 4.6718 4.6771 4.7927 4.7959 9.4401 9.4411 10.4969 10.4997 11.1045 11.1273 11.4292 11.4602 k = 0.2281 0.2281-0.0000 ( 3055 PWs) bands (ev): -6.6693 -6.6679 -6.1125 -6.1124 -2.2024 -2.1391 -2.1197 -1.9930 -1.6104 -1.4969 -1.4888 -1.3878 -1.3529 -1.3471 -0.5210 -0.4733 -0.4516 -0.2776 -0.2034 -0.0937 -0.0628 -0.0486 0.1293 0.1944 1.4629 1.4831 3.0944 3.1260 3.1352 3.1387 3.6254 3.6386 4.7255 4.7316 4.8451 4.8466 9.3873 9.3884 10.5627 10.5660 11.0507 11.0709 11.3792 11.4095 k = 0.2193 0.2193-0.0000 ( 3055 PWs) bands (ev): -6.6936 -6.6923 -6.1117 -6.1116 -2.2065 -2.1409 -2.1226 -1.9984 -1.6138 -1.4999 -1.4881 -1.3917 -1.3546 -1.3542 -0.5233 -0.4760 -0.4540 -0.2815 -0.2028 -0.0973 -0.0664 -0.0473 0.1275 0.1897 1.4647 1.4848 3.1027 3.1443 3.1489 3.1564 3.7045 3.7159 4.7792 4.7861 4.8971 4.8974 9.3263 9.3276 10.6310 10.6351 10.9814 10.9976 11.3209 11.3502 k = 0.2105 0.2105-0.0000 ( 3057 PWs) bands (ev): -6.7175 -6.7163 -6.1109 -6.1109 -2.2103 -2.1424 -2.1255 -2.0039 -1.6169 -1.5031 -1.4881 -1.3948 -1.3622 -1.3553 -0.5255 -0.4787 -0.4559 -0.2854 -0.2021 -0.1011 -0.0727 -0.0437 0.1254 0.1843 1.4658 1.4858 3.1136 3.1566 3.1669 3.1765 3.7877 3.7975 4.8328 4.8405 4.9472 4.9493 9.2578 9.2591 10.7000 10.7065 10.9017 10.9120 11.2558 11.2838 k = 0.2018 0.2018-0.0000 ( 3059 PWs) bands (ev): -6.7410 -6.7398 -6.1101 -6.1101 -2.2138 -2.1437 -2.1286 -2.0094 -1.6196 -1.5064 -1.4889 -1.3971 -1.3699 -1.3564 -0.5275 -0.4812 -0.4575 -0.2892 -0.2014 -0.1051 -0.0798 -0.0396 0.1232 0.1784 1.4664 1.4860 3.1271 3.1700 3.1864 3.1966 3.8741 3.8825 4.8861 4.8946 4.9969 5.0008 9.1825 9.1838 10.7560 10.7791 10.8184 10.8284 11.1856 11.2121 k = 0.1930 0.1930-0.0000 ( 3059 PWs) bands (ev): -6.7639 -6.7628 -6.1093 -6.1093 -2.2170 -2.1448 -2.1317 -2.0149 -1.6218 -1.5097 -1.4906 -1.3986 -1.3778 -1.3573 -0.5293 -0.4837 -0.4586 -0.2929 -0.2008 -0.1093 -0.0873 -0.0356 0.1208 0.1719 1.4664 1.4856 3.1429 3.1855 3.2065 3.2169 3.9629 3.9701 4.9389 4.9482 5.0460 5.0516 9.1009 9.1022 10.7014 10.7181 10.8536 10.8612 11.1125 11.1369 k = 0.1842 0.1842-0.0000 ( 3065 PWs) bands (ev): -6.7863 -6.7852 -6.1086 -6.1086 -2.2198 -2.1457 -2.1350 -2.0204 -1.6237 -1.5130 -1.4932 -1.3994 -1.3857 -1.3581 -0.5309 -0.4861 -0.4593 -0.2966 -0.2002 -0.1136 -0.0948 -0.0320 0.1184 0.1650 1.4659 1.4847 3.1610 3.2031 3.2276 3.2380 4.0536 4.0598 4.9909 5.0010 5.0943 5.1016 9.0138 9.0152 10.6060 10.6159 10.9218 10.9287 11.0432 11.0630 k = 0.1754 0.1754-0.0000 ( 3057 PWs) bands (ev): -6.8080 -6.8069 -6.1078 -6.1078 -2.2223 -2.1463 -2.1383 -2.0258 -1.6251 -1.5163 -1.4965 -1.3993 -1.3935 -1.3587 -0.5322 -0.4884 -0.4596 -0.3003 -0.1995 -0.1180 -0.1023 -0.0287 0.1160 0.1579 1.4651 1.4834 3.1813 3.2226 3.2496 3.2598 4.1459 4.1511 5.0421 5.0528 5.1419 5.1507 8.9219 8.9233 10.5067 10.5127 10.9269 10.9485 11.0361 11.0387 k = 0.1667 0.1667-0.0000 ( 3061 PWs) bands (ev): -6.8290 -6.8280 -6.1071 -6.1071 -2.2245 -2.1467 -2.1417 -2.0312 -1.6262 -1.5196 -1.5005 -1.4018 -1.3984 -1.3592 -0.5334 -0.4907 -0.4595 -0.3039 -0.1990 -0.1225 -0.1098 -0.0259 0.1135 0.1504 1.4640 1.4817 3.2035 3.2440 3.2725 3.2823 4.2394 4.2438 5.0920 5.1031 5.1885 5.1987 8.8259 8.8273 10.4068 10.4101 10.8566 10.8788 11.1041 11.1042 k = 0.1579 0.1579-0.0000 ( 3065 PWs) bands (ev): -6.8493 -6.8483 -6.1064 -6.1064 -2.2264 -2.1469 -2.1451 -2.0366 -1.6270 -1.5229 -1.5051 -1.4098 -1.3973 -1.3596 -0.5345 -0.4930 -0.4591 -0.3076 -0.1985 -0.1270 -0.1173 -0.0237 0.1110 0.1428 1.4626 1.4797 3.2274 3.2669 3.2963 3.3056 4.3339 4.3376 5.1404 5.1518 5.2342 5.2455 8.7263 8.7278 10.3081 10.3091 10.7769 10.7975 11.1815 11.1818 k = 0.1491 0.1491-0.0000 ( 3065 PWs) bands (ev): -6.8688 -6.8679 -6.1058 -6.1058 -2.2280 -2.1487 -2.1468 -2.0419 -1.6274 -1.5261 -1.5101 -1.4177 -1.3956 -1.3599 -0.5353 -0.4951 -0.4583 -0.3113 -0.1981 -0.1313 -0.1246 -0.0222 0.1087 0.1353 1.4611 1.4774 3.2528 3.2911 3.3207 3.3296 4.4292 4.4323 5.1870 5.1984 5.2790 5.2910 8.6239 8.6255 10.2106 10.2115 10.6959 10.7150 11.2608 11.2612 k = 0.1404 0.1404-0.0000 ( 3061 PWs) bands (ev): -6.8874 -6.8865 -6.1051 -6.1051 -2.2293 -2.1523 -2.1465 -2.0470 -1.6274 -1.5291 -1.5155 -1.4257 -1.3937 -1.3601 -0.5359 -0.4972 -0.4571 -0.3150 -0.1979 -0.1354 -0.1318 -0.0213 0.1065 0.1280 1.4594 1.4749 3.2794 3.3164 3.3458 3.3539 4.5252 4.5276 5.2316 5.2425 5.3228 5.3351 8.5192 8.5208 10.1155 10.1180 10.6155 10.6331 11.3404 11.3409 k = 0.1316 0.1316-0.0000 ( 3057 PWs) bands (ev): -6.9051 -6.9043 -6.1046 -6.1045 -2.2303 -2.1559 -2.1458 -2.0521 -1.6271 -1.5320 -1.5209 -1.4336 -1.3915 -1.3602 -0.5363 -0.4993 -0.4555 -0.3188 -0.1978 -0.1391 -0.1389 -0.0213 0.1043 0.1211 1.4577 1.4724 3.3071 3.3425 3.3712 3.3786 4.6215 4.6234 5.2739 5.2839 5.3656 5.3778 8.4128 8.4145 10.0244 10.0280 10.5365 10.5527 11.4195 11.4202 k = 0.1228 0.1228-0.0000 ( 3055 PWs) bands (ev): -6.9219 -6.9211 -6.1040 -6.1040 -2.2309 -2.1596 -2.1450 -2.0571 -1.6265 -1.5346 -1.5266 -1.4414 -1.3893 -1.3603 -0.5366 -0.5013 -0.4536 -0.3227 -0.1980 -0.1457 -0.1422 -0.0221 0.1023 0.1146 1.4559 1.4697 3.3354 3.3690 3.3967 3.4032 4.7181 4.7195 5.3135 5.3223 5.4073 5.4189 8.3054 8.3071 9.9378 9.9423 10.4597 10.4745 11.4974 11.4984 k = 0.1140 0.1140-0.0000 ( 3051 PWs) bands (ev): -6.9376 -6.9369 -6.1034 -6.1034 -2.2313 -2.1634 -2.1439 -2.0619 -1.6256 -1.5369 -1.5323 -1.4491 -1.3869 -1.3604 -0.5367 -0.5033 -0.4513 -0.3267 -0.1985 -0.1523 -0.1446 -0.0239 0.1005 0.1087 1.4541 1.4671 3.3641 3.3958 3.4221 3.4277 4.8146 4.8155 5.3502 5.3576 5.4477 5.4584 8.1973 8.1991 9.8560 9.8612 10.3857 10.3991 11.5735 11.5749 k = 0.1053 0.1053-0.0000 ( 3055 PWs) bands (ev): -6.9524 -6.9517 -6.1029 -6.1029 -2.2315 -2.1672 -2.1427 -2.0668 -1.6244 -1.5390 -1.5380 -1.4567 -1.3847 -1.3605 -0.5366 -0.5052 -0.4487 -0.3309 -0.1995 -0.1587 -0.1462 -0.0267 0.0987 0.1035 1.4524 1.4644 3.3928 3.4223 3.4472 3.4517 4.9107 4.9113 5.3839 5.3896 5.4866 5.4962 8.0894 8.0912 9.7794 9.7851 10.3149 10.3271 11.6470 11.6489 k = 0.0965 0.0965-0.0000 ( 3051 PWs) bands (ev): -6.9661 -6.9655 -6.1025 -6.1024 -2.2312 -2.1711 -2.1412 -2.0713 -1.6230 -1.5437 -1.5407 -1.4641 -1.3824 -1.3605 -0.5364 -0.5072 -0.4457 -0.3352 -0.2007 -0.1648 -0.1468 -0.0304 0.0971 0.0991 1.4507 1.4618 3.4212 3.4483 3.4716 3.4750 5.0062 5.0064 5.4144 5.4185 5.5237 5.5320 7.9821 7.9839 9.7085 9.7144 10.2479 10.2589 11.7170 11.7197 k = 0.0877 0.0877-0.0000 ( 3047 PWs) bands (ev): -6.9787 -6.9782 -6.1020 -6.1020 -2.2307 -2.1750 -2.1395 -2.0758 -1.6214 -1.5492 -1.5421 -1.4714 -1.3802 -1.3606 -0.5360 -0.5091 -0.4424 -0.3397 -0.2022 -0.1706 -0.1464 -0.0350 0.0954 0.0957 1.4492 1.4593 3.4491 3.4735 3.4952 3.4973 5.1004 5.1004 5.4418 5.4444 5.5587 5.5657 7.8761 7.8780 9.6433 9.6492 10.1851 10.1950 11.7823 11.7862 k = 0.0789 0.0789-0.0000 ( 3039 PWs) bands (ev): -6.9902 -6.9897 -6.1016 -6.1016 -2.2299 -2.1788 -2.1376 -2.0801 -1.6195 -1.5546 -1.5429 -1.4784 -1.3780 -1.3606 -0.5355 -0.5109 -0.4388 -0.3445 -0.2039 -0.1761 -0.1451 -0.0403 0.0926 0.0944 1.4478 1.4570 3.4759 3.4974 3.5176 3.5184 5.1927 5.1929 5.4660 5.4674 5.5913 5.5971 7.7723 7.7742 9.5840 9.5899 10.1270 10.1357 11.8418 11.8474 k = 0.0702 0.0702-0.0000 ( 3035 PWs) bands (ev): -7.0006 -7.0001 -6.1013 -6.1013 -2.2289 -2.1827 -2.1355 -2.0843 -1.6174 -1.5599 -1.5434 -1.4852 -1.3759 -1.3606 -0.5349 -0.5127 -0.4348 -0.3494 -0.2056 -0.1813 -0.1430 -0.0464 0.0903 0.0931 1.4465 1.4547 3.5014 3.5198 3.5381 3.5386 5.2824 5.2828 5.4872 5.4877 5.6213 5.6260 7.6715 7.6734 9.5309 9.5365 10.0740 10.0816 11.8935 11.9017 k = 0.0614 0.0614-0.0000 ( 3033 PWs) bands (ev): -7.0098 -7.0094 -6.1010 -6.1009 -2.2275 -2.1866 -2.1333 -2.0884 -1.6152 -1.5650 -1.5434 -1.4918 -1.3740 -1.3608 -0.5341 -0.5146 -0.4306 -0.3545 -0.2072 -0.1861 -0.1400 -0.0530 0.0887 0.0920 1.4454 1.4526 3.5252 3.5402 3.5560 3.5579 5.3685 5.3687 5.5057 5.5058 5.6483 5.6522 7.5749 7.5767 9.4840 9.4893 10.0263 10.0329 11.9356 11.9473 k = 0.0526 0.0526-0.0000 ( 3023 PWs) bands (ev): -7.0178 -7.0174 -6.1007 -6.1007 -2.2259 -2.1904 -2.1308 -2.0923 -1.6127 -1.5698 -1.5428 -1.4981 -1.3722 -1.3610 -0.5332 -0.5163 -0.4260 -0.3598 -0.2086 -0.1905 -0.1363 -0.0600 0.0875 0.0911 1.4445 1.4507 3.5469 3.5586 3.5719 3.5751 5.4482 5.4485 5.5229 5.5231 5.6723 5.6754 7.4838 7.4855 9.4434 9.4482 9.9844 9.9900 11.9664 11.9823 k = 0.0439 0.0439-0.0000 ( 3025 PWs) bands (ev): -7.0246 -7.0243 -6.1004 -6.1004 -2.2240 -2.1942 -2.1283 -2.0962 -1.6102 -1.5745 -1.5418 -1.5041 -1.3706 -1.3613 -0.5323 -0.5181 -0.4212 -0.3653 -0.2096 -0.1945 -0.1320 -0.0672 0.0868 0.0901 1.4438 1.4490 3.5661 3.5746 3.5858 3.5901 5.5092 5.5118 5.5477 5.5501 5.6931 5.6956 7.3999 7.4015 9.4092 9.4133 9.9485 9.9531 11.9859 12.0052 k = 0.0351 0.0351-0.0000 ( 3021 PWs) bands (ev): -7.0301 -7.0299 -6.1002 -6.1002 -2.2219 -2.1978 -2.1256 -2.0999 -1.6074 -1.5790 -1.5402 -1.5098 -1.3691 -1.3618 -0.5312 -0.5197 -0.4161 -0.3710 -0.2102 -0.1981 -0.1271 -0.0745 0.0864 0.0893 1.4433 1.4475 3.5827 3.5880 3.5974 3.6024 5.5322 5.5347 5.6021 5.6045 5.7107 5.7128 7.3254 7.3269 9.3812 9.3846 9.9188 9.9224 11.9960 12.0166 k = 0.0263 0.0263-0.0000 ( 3021 PWs) bands (ev): -7.0345 -7.0343 -6.1001 -6.1001 -2.2196 -2.2014 -2.1229 -2.1035 -1.6045 -1.5833 -1.5381 -1.5151 -1.3678 -1.3623 -0.5300 -0.5214 -0.4109 -0.3767 -0.2104 -0.2013 -0.1218 -0.0819 0.0862 0.0886 1.4431 1.4462 3.5961 3.5987 3.6066 3.6118 5.5422 5.5441 5.6562 5.6582 5.7254 5.7271 7.2630 7.2641 9.3596 9.3623 9.8956 9.8983 12.0006 12.0192 k = 0.0175 0.0175-0.0000 ( 3021 PWs) bands (ev): -7.0376 -7.0375 -6.1000 -6.1000 -2.2170 -2.2048 -2.1199 -2.1070 -1.6015 -1.5873 -1.5354 -1.5201 -1.3666 -1.3629 -0.5288 -0.5230 -0.4054 -0.3825 -0.2101 -0.2040 -0.1160 -0.0892 0.0863 0.0879 1.4430 1.4451 3.6059 3.6066 3.6136 3.6182 5.5484 5.5497 5.6967 5.6983 5.7381 5.7394 7.2154 7.2162 9.3444 9.3461 9.8790 9.8808 12.0028 12.0167 k = 0.0088 0.0088-0.0000 ( 3019 PWs) bands (ev): -7.0394 -7.0394 -6.0999 -6.0999 -2.2143 -2.2082 -2.1168 -2.1104 -1.5982 -1.5911 -1.5324 -1.5246 -1.3654 -1.3636 -0.5274 -0.5245 -0.3998 -0.3883 -0.2094 -0.2063 -0.1097 -0.0963 0.0865 0.0873 1.4432 1.4442 3.6115 3.6116 3.6186 3.6214 5.5521 5.5527 5.7190 5.7198 5.7498 5.7505 7.1855 7.1859 9.3354 9.3363 9.8692 9.8701 12.0050 12.0123 k = 0.0000 0.0000 0.0000 ( 3031 PWs) bands (ev): -7.0400 -7.0400 -6.0999 -6.0999 -2.2114 -2.2114 -2.1137 -2.1137 -1.5948 -1.5948 -1.5288 -1.5288 -1.3645 -1.3645 -0.5261 -0.5261 -0.3941 -0.3941 -0.2082 -0.2082 -0.1032 -0.1032 0.0868 0.0868 1.4436 1.4436 3.6133 3.6133 3.6214 3.6214 5.5535 5.5535 5.7254 5.7254 5.7555 5.7555 7.1754 7.1754 9.3327 9.3327 9.8662 9.8662 12.0081 12.0081 k = 0.0000 0.0000 0.0000 ( 3031 PWs) bands (ev): -7.0400 -7.0400 -6.0999 -6.0999 -2.2114 -2.2114 -2.1137 -2.1137 -1.5948 -1.5948 -1.5288 -1.5288 -1.3645 -1.3645 -0.5261 -0.5261 -0.3941 -0.3941 -0.2082 -0.2082 -0.1032 -0.1032 0.0868 0.0868 1.4436 1.4436 3.6133 3.6133 3.6214 3.6214 5.5535 5.5535 5.7254 5.7254 5.7555 5.7555 7.1754 7.1754 9.3327 9.3327 9.8662 9.8662 12.0081 12.0081 k = 0.0000 0.0000 0.0124 ( 3015 PWs) bands (ev): -7.0395 -7.0395 -6.1005 -6.1005 -2.2113 -2.2113 -2.1139 -2.1139 -1.5950 -1.5950 -1.5285 -1.5285 -1.3645 -1.3645 -0.5261 -0.5261 -0.3945 -0.3945 -0.2085 -0.2085 -0.1031 -0.1031 0.0864 0.0864 1.4471 1.4471 3.6146 3.6146 3.6226 3.6226 5.5451 5.5451 5.7233 5.7233 5.7535 5.7535 7.1848 7.1848 9.3338 9.3338 9.8670 9.8670 12.0088 12.0088 k = 0.0000 0.0000 0.0249 ( 3015 PWs) bands (ev): -7.0379 -7.0379 -6.1024 -6.1024 -2.2113 -2.2113 -2.1146 -2.1146 -1.5959 -1.5959 -1.5279 -1.5279 -1.3648 -1.3648 -0.5264 -0.5264 -0.3956 -0.3956 -0.2100 -0.2100 -0.1030 -0.1030 0.0852 0.0852 1.4577 1.4577 3.6184 3.6184 3.6264 3.6264 5.5202 5.5202 5.7170 5.7170 5.7476 5.7476 7.2126 7.2126 9.3370 9.3370 9.8692 9.8692 12.0104 12.0104 k = 0.0000 0.0000 0.0373 ( 3015 PWs) bands (ev): -7.0352 -7.0352 -6.1055 -6.1055 -2.2113 -2.2113 -2.1158 -2.1158 -1.5973 -1.5973 -1.5271 -1.5271 -1.3653 -1.3653 -0.5268 -0.5268 -0.3976 -0.3976 -0.2123 -0.2123 -0.1029 -0.1029 0.0831 0.0831 1.4751 1.4751 3.6247 3.6247 3.6327 3.6327 5.4804 5.4804 5.7069 5.7069 5.7378 5.7378 7.2571 7.2571 9.3425 9.3425 9.8728 9.8728 12.0114 12.0114 k = 0.0000 0.0000 0.0498 ( 3035 PWs) bands (ev): -7.0314 -7.0314 -6.1099 -6.1099 -2.2115 -2.2115 -2.1176 -2.1176 -1.5994 -1.5994 -1.5260 -1.5260 -1.3660 -1.3660 -0.5275 -0.5275 -0.4003 -0.4003 -0.2155 -0.2155 -0.1027 -0.1027 0.0804 0.0804 1.4991 1.4991 3.6335 3.6335 3.6414 3.6414 5.4276 5.4276 5.6931 5.6931 5.7241 5.7241 7.3161 7.3161 9.3501 9.3501 9.8777 9.8777 12.0097 12.0097 k = 0.0000 0.0000 0.0622 ( 3039 PWs) bands (ev): -7.0266 -7.0266 -6.1155 -6.1155 -2.2115 -2.2115 -2.1197 -2.1197 -1.6018 -1.6018 -1.5247 -1.5247 -1.3668 -1.3668 -0.5283 -0.5283 -0.4038 -0.4038 -0.2194 -0.2194 -0.1025 -0.1025 0.0771 0.0771 1.5295 1.5295 3.6448 3.6448 3.6525 3.6525 5.3641 5.3641 5.6759 5.6759 5.7068 5.7068 7.3872 7.3872 9.3598 9.3598 9.8838 9.8838 12.0018 12.0018 k = 0.0000 0.0000 0.0747 ( 3031 PWs) bands (ev): -7.0208 -7.0208 -6.1223 -6.1223 -2.2114 -2.2114 -2.1222 -2.1222 -1.6045 -1.6045 -1.5230 -1.5230 -1.3677 -1.3677 -0.5292 -0.5292 -0.4079 -0.4079 -0.2238 -0.2238 -0.1023 -0.1023 0.0736 0.0736 1.5658 1.5658 3.6585 3.6585 3.6661 3.6661 5.2920 5.2920 5.6554 5.6554 5.6859 5.6859 7.4682 7.4682 9.3717 9.3717 9.8911 9.8911 11.9846 11.9846 k = 0.0000 0.0000 0.0871 ( 3031 PWs) bands (ev): -7.0140 -7.0140 -6.1302 -6.1302 -2.2114 -2.2114 -2.1251 -2.1251 -1.6075 -1.6075 -1.5214 -1.5214 -1.3687 -1.3687 -0.5303 -0.5303 -0.4127 -0.4127 -0.2287 -0.2287 -0.1021 -0.1021 0.0698 0.0698 1.6077 1.6077 3.6746 3.6746 3.6820 3.6820 5.2132 5.2132 5.6317 5.6317 5.6615 5.6615 7.5571 7.5571 9.3857 9.3857 9.8994 9.8994 11.9565 11.9565 k = 0.0000 0.0000 0.0996 ( 3031 PWs) bands (ev): -7.0063 -7.0063 -6.1391 -6.1391 -2.2114 -2.2114 -2.1284 -2.1284 -1.6107 -1.6107 -1.5196 -1.5196 -1.3698 -1.3698 -0.5315 -0.5315 -0.4181 -0.4181 -0.2339 -0.2339 -0.1019 -0.1019 0.0658 0.0658 1.6548 1.6548 3.6930 3.6930 3.7002 3.7002 5.1292 5.1292 5.6049 5.6049 5.6340 5.6340 7.6524 7.6524 9.4019 9.4019 9.9085 9.9085 11.9179 11.9179 k = 0.0000 0.0000 0.1120 ( 3039 PWs) bands (ev): -6.9976 -6.9976 -6.1492 -6.1492 -2.2115 -2.2115 -2.1321 -2.1321 -1.6141 -1.6141 -1.5178 -1.5178 -1.3711 -1.3711 -0.5328 -0.5328 -0.4240 -0.4240 -0.2393 -0.2393 -0.1017 -0.1017 0.0619 0.0619 1.7067 1.7067 3.7136 3.7136 3.7207 3.7207 5.0413 5.0413 5.5753 5.5753 5.6034 5.6034 7.7527 7.7527 9.4202 9.4202 9.9182 9.9182 11.8703 11.8703 k = 0.0000 0.0000 0.1245 ( 3055 PWs) bands (ev): -6.9880 -6.9880 -6.1602 -6.1602 -2.2116 -2.2116 -2.1361 -2.1361 -1.6177 -1.6177 -1.5161 -1.5161 -1.3725 -1.3725 -0.5342 -0.5342 -0.4304 -0.4304 -0.2449 -0.2449 -0.1016 -0.1016 0.0581 0.0581 1.7630 1.7630 3.7363 3.7363 3.7432 3.7432 4.9505 4.9505 5.5430 5.5430 5.5700 5.5700 7.8569 7.8569 9.4406 9.4406 9.9282 9.9282 11.8154 11.8154 k = 0.0000 0.0000 0.1369 ( 3063 PWs) bands (ev): -6.9777 -6.9777 -6.1721 -6.1721 -2.2117 -2.2117 -2.1403 -2.1403 -1.6213 -1.6213 -1.5143 -1.5143 -1.3738 -1.3738 -0.5356 -0.5356 -0.4372 -0.4372 -0.2504 -0.2504 -0.1015 -0.1015 0.0544 0.0544 1.8233 1.8233 3.7612 3.7612 3.7678 3.7678 4.8574 4.8574 5.5083 5.5083 5.5341 5.5341 7.9643 7.9643 9.4630 9.4630 9.9384 9.9384 11.7546 11.7546 k = 0.0000 0.0000 0.1494 ( 3063 PWs) bands (ev): -6.9666 -6.9666 -6.1848 -6.1848 -2.2116 -2.2116 -2.1447 -2.1447 -1.6249 -1.6249 -1.5125 -1.5125 -1.3751 -1.3751 -0.5370 -0.5370 -0.4442 -0.4442 -0.2557 -0.2557 -0.1014 -0.1014 0.0510 0.0510 1.8872 1.8872 3.7879 3.7879 3.7943 3.7943 4.7626 4.7626 5.4713 5.4713 5.4959 5.4959 8.0739 8.0739 9.4874 9.4874 9.9484 9.9484 11.6890 11.6890 k = 0.0000 0.0000 0.1618 ( 3047 PWs) bands (ev): -6.9547 -6.9547 -6.1982 -6.1982 -2.2114 -2.2114 -2.1491 -2.1491 -1.6283 -1.6283 -1.5106 -1.5106 -1.3764 -1.3764 -0.5383 -0.5383 -0.4513 -0.4513 -0.2608 -0.2608 -0.1013 -0.1013 0.0478 0.0478 1.9546 1.9546 3.8165 3.8165 3.8227 3.8227 4.6666 4.6666 5.4325 5.4325 5.4557 5.4557 8.1853 8.1853 9.5138 9.5138 9.9580 9.9580 11.6195 11.6195 k = 0.0000 0.0000 0.1743 ( 3047 PWs) bands (ev): -6.9423 -6.9423 -6.2123 -6.2123 -2.2114 -2.2114 -2.1538 -2.1538 -1.6317 -1.6317 -1.5089 -1.5089 -1.3777 -1.3777 -0.5396 -0.5396 -0.4586 -0.4586 -0.2658 -0.2658 -0.1013 -0.1013 0.0448 0.0448 2.0250 2.0250 3.8467 3.8467 3.8527 3.8527 4.5698 4.5698 5.3919 5.3919 5.4138 5.4138 8.2977 8.2977 9.5420 9.5420 9.9669 9.9669 11.5468 11.5468 k = 0.0000 0.0000 0.1867 ( 3047 PWs) bands (ev): -6.9294 -6.9294 -6.2269 -6.2269 -2.2113 -2.2113 -2.1584 -2.1584 -1.6350 -1.6350 -1.5072 -1.5072 -1.3790 -1.3790 -0.5408 -0.5408 -0.4658 -0.4658 -0.2705 -0.2705 -0.1013 -0.1013 0.0420 0.0420 2.0982 2.0982 3.8784 3.8784 3.8842 3.8842 4.4723 4.4723 5.3500 5.3500 5.3705 5.3705 8.4106 8.4106 9.5719 9.5719 9.9750 9.9750 11.4714 11.4714 k = 0.0000 0.0000 0.1992 ( 3055 PWs) bands (ev): -6.9161 -6.9161 -6.2418 -6.2418 -2.2113 -2.2113 -2.1632 -2.1632 -1.6383 -1.6383 -1.5057 -1.5057 -1.3803 -1.3803 -0.5420 -0.5420 -0.4729 -0.4729 -0.2749 -0.2749 -0.1013 -0.1013 0.0395 0.0395 2.1739 2.1739 3.9114 3.9114 3.9171 3.9171 4.3745 4.3745 5.3070 5.3070 5.3261 5.3261 8.5234 8.5234 9.6033 9.6033 9.9821 9.9821 11.3937 11.3937 k = 0.0000 0.0000 0.2116 ( 3059 PWs) bands (ev): -6.9026 -6.9026 -6.2570 -6.2570 -2.2112 -2.2112 -2.1677 -2.1677 -1.6413 -1.6413 -1.5043 -1.5043 -1.3815 -1.3815 -0.5430 -0.5430 -0.4799 -0.4799 -0.2790 -0.2790 -0.1014 -0.1014 0.0373 0.0373 2.2520 2.2520 3.9454 3.9454 3.9510 3.9510 4.2765 4.2765 5.2634 5.2634 5.2811 5.2811 8.6356 8.6356 9.6359 9.6359 9.9883 9.9883 11.3140 11.3140 k = 0.0000 0.0000 0.2241 ( 3059 PWs) bands (ev): -6.8889 -6.8889 -6.2723 -6.2723 -2.2110 -2.2110 -2.1722 -2.1722 -1.6441 -1.6441 -1.5029 -1.5029 -1.3826 -1.3826 -0.5439 -0.5439 -0.4866 -0.4866 -0.2827 -0.2827 -0.1014 -0.1014 0.0352 0.0352 2.3321 2.3321 3.9802 3.9802 3.9856 3.9856 4.1785 4.1785 5.2195 5.2195 5.2357 5.2357 8.7466 8.7466 9.6689 9.6689 9.9938 9.9938 11.2326 11.2326 k = 0.0000 0.0000 0.2365 ( 3047 PWs) bands (ev): -6.8753 -6.8753 -6.2873 -6.2873 -2.2107 -2.2107 -2.1764 -2.1764 -1.6466 -1.6466 -1.5016 -1.5016 -1.3835 -1.3835 -0.5445 -0.5445 -0.4930 -0.4930 -0.2861 -0.2861 -0.1014 -0.1014 0.0335 0.0335 2.4142 2.4142 4.0154 4.0154 4.0208 4.0208 4.0806 4.0806 5.1757 5.1757 5.1906 5.1906 8.8556 8.8556 9.7015 9.7015 9.9995 9.9995 11.1497 11.1497 k = 0.0000 0.0000 0.2490 ( 3047 PWs) bands (ev): -6.8619 -6.8619 -6.3021 -6.3021 -2.2105 -2.2105 -2.1805 -2.1805 -1.6490 -1.6490 -1.5004 -1.5004 -1.3845 -1.3845 -0.5449 -0.5449 -0.4990 -0.4990 -0.2892 -0.2892 -0.1015 -0.1015 0.0319 0.0319 2.4980 2.4980 3.9827 3.9827 4.0506 4.0506 4.0561 4.0561 5.1326 5.1326 5.1461 5.1461 8.9620 8.9620 9.7316 9.7316 10.0071 10.0071 11.0656 11.0656 k = 0.0000 0.0000 0.2614 ( 3043 PWs) bands (ev): -6.8491 -6.8491 -6.3162 -6.3162 -2.2102 -2.2102 -2.1842 -2.1842 -1.6511 -1.6511 -1.4993 -1.4993 -1.3853 -1.3853 -0.5451 -0.5451 -0.5047 -0.5047 -0.2919 -0.2919 -0.1015 -0.1015 0.0305 0.0305 2.5833 2.5833 3.8852 3.8852 4.0853 4.0853 4.0908 4.0908 5.0908 5.0908 5.1029 5.1029 9.0648 9.0648 9.7566 9.7566 10.0193 10.0193 10.9805 10.9805 k = 0.0000 0.0000 0.2739 ( 3047 PWs) bands (ev): -6.8370 -6.8370 -6.3294 -6.3294 -2.2099 -2.2099 -2.1877 -2.1877 -1.6530 -1.6530 -1.4985 -1.4985 -1.3861 -1.3861 -0.5450 -0.5450 -0.5099 -0.5099 -0.2943 -0.2943 -0.1016 -0.1016 0.0293 0.0293 2.6702 2.6702 3.7880 3.7880 4.1188 4.1188 4.1244 4.1244 5.0510 5.0510 5.0618 5.0618 9.1631 9.1631 9.7728 9.7728 10.0397 10.0397 10.8946 10.8946 k = 0.0000 0.0000 0.2863 ( 3047 PWs) bands (ev): -6.8260 -6.8260 -6.3415 -6.3415 -2.2094 -2.2094 -2.1909 -2.1909 -1.6546 -1.6546 -1.4977 -1.4977 -1.3867 -1.3867 -0.5447 -0.5447 -0.5146 -0.5146 -0.2963 -0.2963 -0.1017 -0.1017 0.0283 0.0283 2.7583 2.7583 3.6912 3.6912 4.1503 4.1503 4.1561 4.1561 5.0141 5.0141 5.0236 5.0236 9.2559 9.2559 9.7776 9.7776 10.0710 10.0710 10.8083 10.8083 k = 0.0000 0.0000 0.2988 ( 3039 PWs) bands (ev): -6.8163 -6.8163 -6.3519 -6.3519 -2.2089 -2.2089 -2.1936 -2.1936 -1.6559 -1.6559 -1.4970 -1.4970 -1.3871 -1.3871 -0.5442 -0.5442 -0.5189 -0.5189 -0.2979 -0.2979 -0.1017 -0.1017 0.0276 0.0276 2.8476 2.8476 3.5949 3.5949 4.1787 4.1787 4.1847 4.1847 4.9813 4.9813 4.9895 4.9895 9.3421 9.3421 9.7702 9.7702 10.1139 10.1139 10.7222 10.7222 k = 0.0000 0.0000 0.3112 ( 3035 PWs) bands (ev): -6.8083 -6.8083 -6.3606 -6.3606 -2.2083 -2.2083 -2.1960 -2.1960 -1.6568 -1.6568 -1.4965 -1.4965 -1.3875 -1.3875 -0.5435 -0.5435 -0.5225 -0.5225 -0.2992 -0.2992 -0.1018 -0.1018 0.0270 0.0270 2.9380 2.9380 3.4990 3.4990 4.2029 4.2029 4.2092 4.2092 4.9536 4.9536 4.9606 4.9606 9.4206 9.4206 9.7520 9.7520 10.1669 10.1669 10.6370 10.6370 k = 0.0000 0.0000 0.3237 ( 3026 PWs) bands (ev): -6.8024 -6.8024 -6.3670 -6.3670 -2.2077 -2.2077 -2.1978 -2.1978 -1.6575 -1.6575 -1.4961 -1.4961 -1.3877 -1.3877 -0.5426 -0.5426 -0.5253 -0.5253 -0.3001 -0.3001 -0.1018 -0.1018 0.0266 0.0266 3.0295 3.0295 3.4038 3.4038 4.2216 4.2216 4.2281 4.2281 4.9326 4.9326 4.9385 4.9385 9.4895 9.4895 9.7257 9.7257 10.2274 10.2274 10.5544 10.5544 k = 0.0000 0.0000 0.3361 ( 3030 PWs) bands (ev): -6.7987 -6.7987 -6.3710 -6.3710 -2.2073 -2.2073 -2.1991 -2.1991 -1.6580 -1.6580 -1.4960 -1.4960 -1.3878 -1.3878 -0.5420 -0.5420 -0.5273 -0.5273 -0.3007 -0.3007 -0.1018 -0.1018 0.0263 0.0263 3.1217 3.1217 3.3092 3.3092 4.2335 4.2335 4.2401 4.2401 4.9193 4.9193 4.9244 4.9244 9.5447 9.5447 9.6958 9.6958 10.2905 10.2905 10.4783 10.4783 k = 0.0000 0.0000 0.3486 ( 3022 PWs) bands (ev): -6.7974 -6.7974 -6.3723 -6.3723 -2.2070 -2.2070 -2.1995 -2.1995 -1.6580 -1.6580 -1.4958 -1.4958 -1.3879 -1.3879 -0.5416 -0.5416 -0.5280 -0.5280 -0.3008 -0.3008 -0.1018 -0.1018 0.0263 0.0263 3.2089 3.2089 3.2213 3.2213 4.2375 4.2375 4.2442 4.2442 4.9148 4.9148 4.9196 4.9196 9.5702 9.5702 9.6787 9.6787 10.3302 10.3302 10.4343 10.4343 k = 0.0000 0.0000 0.3486 ( 3022 PWs) bands (ev): -6.7974 -6.7974 -6.3723 -6.3723 -2.2070 -2.2070 -2.1995 -2.1995 -1.6580 -1.6580 -1.4958 -1.4958 -1.3879 -1.3879 -0.5416 -0.5416 -0.5280 -0.5280 -0.3008 -0.3008 -0.1018 -0.1018 0.0263 0.0263 3.2089 3.2089 3.2213 3.2213 4.2375 4.2375 4.2442 4.2442 4.9148 4.9148 4.9196 4.9196 9.5702 9.5702 9.6787 9.6787 10.3302 10.3302 10.4343 10.4343 k = 0.0000 0.0125 0.3486 ( 3032 PWs) bands (ev): -6.7969 -6.7969 -6.3722 -6.3721 -2.2090 -2.2052 -2.2005 -2.1978 -1.6592 -1.6565 -1.4980 -1.4935 -1.3886 -1.3874 -0.5420 -0.5420 -0.5297 -0.5251 -0.3033 -0.2980 -0.1019 -0.1015 0.0257 0.0266 3.2031 3.2047 3.2174 3.2193 4.2386 4.2389 4.2435 4.2479 4.9097 4.9171 4.9192 4.9195 9.5726 9.5731 9.6788 9.6805 10.3322 10.3331 10.4373 10.4405 k = 0.0000 0.0250 0.3486 ( 3046 PWs) bands (ev): -6.7955 -6.7955 -6.3716 -6.3713 -2.2108 -2.2038 -2.2005 -2.1957 -1.6600 -1.6546 -1.4999 -1.4908 -1.3896 -1.3873 -0.5431 -0.5427 -0.5300 -0.5213 -0.3054 -0.2949 -0.1018 -0.1010 0.0250 0.0267 3.1864 3.1897 3.2089 3.2123 4.2409 4.2422 4.2462 4.2555 4.9004 4.9157 4.9189 4.9203 9.5797 9.5806 9.6811 9.6845 10.3394 10.3408 10.4496 10.4559 k = 0.0000 0.0375 0.3486 ( 3050 PWs) bands (ev): -6.7932 -6.7931 -6.3706 -6.3702 -2.2125 -2.2033 -2.1989 -2.1929 -1.6603 -1.6521 -1.5014 -1.4877 -1.3906 -1.3872 -0.5447 -0.5435 -0.5292 -0.5168 -0.3072 -0.2913 -0.1014 -0.1002 0.0242 0.0268 3.1585 3.1633 3.1966 3.2014 4.2440 4.2451 4.2543 4.2670 4.8873 4.9088 4.9211 4.9221 9.5896 9.5904 9.6865 9.6918 10.3519 10.3537 10.4716 10.4807 k = 0.0000 0.0500 0.3486 ( 3048 PWs) bands (ev): -6.7899 -6.7898 -6.3691 -6.3685 -2.2140 -2.2029 -2.1963 -2.1896 -1.6602 -1.6491 -1.5025 -1.4841 -1.3917 -1.3872 -0.5463 -0.5442 -0.5278 -0.5117 -0.3086 -0.2874 -0.1007 -0.0991 0.0233 0.0268 3.1204 3.1265 3.1801 3.1862 4.2480 4.2486 4.2665 4.2818 4.8709 4.8985 4.9239 4.9247 9.5990 9.5993 9.6967 9.7040 10.3707 10.3725 10.5033 10.5149 k = 0.0000 0.0625 0.3486 ( 3048 PWs) bands (ev): -6.7857 -6.7856 -6.3673 -6.3665 -2.2154 -2.2024 -2.1932 -2.1858 -1.6598 -1.6457 -1.5034 -1.4803 -1.3929 -1.3873 -0.5478 -0.5449 -0.5261 -0.5061 -0.3096 -0.2831 -0.0999 -0.0978 0.0223 0.0266 3.0733 3.0803 3.1593 3.1664 4.2529 4.2529 4.2816 4.2992 4.8520 4.8852 4.9274 4.9280 9.6046 9.6047 9.7128 9.7215 10.3969 10.3981 10.5446 10.5584 k = 0.0000 0.0750 0.3486 ( 3052 PWs) bands (ev): -6.7806 -6.7805 -6.3650 -6.3641 -2.2166 -2.2017 -2.1899 -2.1814 -1.6590 -1.6419 -1.5040 -1.4760 -1.3943 -1.3876 -0.5490 -0.5454 -0.5240 -0.5000 -0.3103 -0.2785 -0.0989 -0.0962 0.0211 0.0263 3.0184 3.0259 3.1338 3.1418 4.2583 4.2586 4.2990 4.3184 4.8312 4.8697 4.9316 4.9321 9.6049 9.6051 9.7337 9.7430 10.4321 10.4323 10.5953 10.6108 k = 0.0000 0.0875 0.3486 ( 3058 PWs) bands (ev): -6.7746 -6.7745 -6.3624 -6.3613 -2.2176 -2.2007 -2.1861 -2.1767 -1.6578 -1.6376 -1.5043 -1.4715 -1.3957 -1.3880 -0.5498 -0.5458 -0.5218 -0.4935 -0.3106 -0.2736 -0.0977 -0.0944 0.0198 0.0259 2.9565 2.9642 3.1036 3.1121 4.2646 4.2653 4.3181 4.3390 4.8094 4.8525 4.9365 4.9369 9.6006 9.6006 9.7563 9.7655 10.4768 10.4779 10.6548 10.6717 k = 0.0000 0.1000 0.3486 ( 3066 PWs) bands (ev): -6.7677 -6.7676 -6.3594 -6.3582 -2.2186 -2.1995 -2.1820 -2.1714 -1.6564 -1.6328 -1.5044 -1.4665 -1.3973 -1.3886 -0.5502 -0.5460 -0.5195 -0.4866 -0.3106 -0.2682 -0.0963 -0.0922 0.0184 0.0254 2.8887 2.8964 3.0685 3.0774 4.2719 4.2728 4.3385 4.3605 4.7874 4.8346 4.9420 4.9424 9.5918 9.5920 9.7773 9.7859 10.5330 10.5359 10.7224 10.7403 k = 0.0000 0.1125 0.3486 ( 3066 PWs) bands (ev): -6.7600 -6.7599 -6.3561 -6.3548 -2.2193 -2.1981 -2.1774 -2.1656 -1.6546 -1.6276 -1.5041 -1.4611 -1.3988 -1.3892 -0.5502 -0.5459 -0.5170 -0.4792 -0.3102 -0.2626 -0.0947 -0.0897 0.0169 0.0249 2.8158 2.8232 3.0286 3.0374 4.2800 4.2813 4.3597 4.3826 4.7660 4.8165 4.9481 4.9485 9.5793 9.5798 9.7942 9.8020 10.6020 10.6066 10.7974 10.8158 k = 0.0000 0.1250 0.3486 ( 3062 PWs) bands (ev): -6.7515 -6.7514 -6.3525 -6.3510 -2.2198 -2.1966 -2.1723 -2.1593 -1.6525 -1.6219 -1.5035 -1.4552 -1.4003 -1.3899 -0.5497 -0.5457 -0.5144 -0.4713 -0.3094 -0.2565 -0.0929 -0.0869 0.0154 0.0242 2.7385 2.7455 2.9837 2.9922 4.2890 4.2905 4.3816 4.4050 4.7458 4.7991 4.9548 4.9552 9.5633 9.5640 9.8055 9.8124 10.6837 10.6901 10.8790 10.8974 k = 0.0000 0.1375 0.3486 ( 3062 PWs) bands (ev): -6.7422 -6.7421 -6.3486 -6.3470 -2.2202 -2.1951 -2.1667 -2.1526 -1.6502 -1.6159 -1.5026 -1.4490 -1.4018 -1.3906 -0.5488 -0.5452 -0.5117 -0.4631 -0.3083 -0.2502 -0.0910 -0.0838 0.0138 0.0236 2.6575 2.6641 2.9340 2.9419 4.2988 4.3005 4.4039 4.4275 4.7274 4.7828 4.9621 4.9624 9.5439 9.5448 9.8104 9.8167 10.7775 10.7855 10.9663 10.9842 k = 0.0000 0.1500 0.3486 ( 3066 PWs) bands (ev): -6.7322 -6.7321 -6.3445 -6.3428 -2.2205 -2.1935 -2.1608 -2.1456 -1.6477 -1.6097 -1.5013 -1.4425 -1.4032 -1.3913 -0.5474 -0.5445 -0.5090 -0.4544 -0.3069 -0.2436 -0.0890 -0.0804 0.0122 0.0229 2.5735 2.5795 2.8796 2.8866 4.3093 4.3113 4.4264 4.4500 4.7113 4.7683 4.9699 4.9702 9.5212 9.5223 9.8090 9.8147 10.8822 10.8915 11.0585 11.0752 k = 0.0000 0.1625 0.3486 ( 3066 PWs) bands (ev): -6.7215 -6.7214 -6.3402 -6.3384 -2.2206 -2.1920 -2.1543 -2.1381 -1.6450 -1.6032 -1.4997 -1.4355 -1.4044 -1.3921 -0.5454 -0.5435 -0.5063 -0.4453 -0.3050 -0.2367 -0.0868 -0.0766 0.0105 0.0222 2.4871 2.4926 2.8208 2.8266 4.3206 4.3227 4.4490 4.4723 4.6978 4.7559 4.9781 4.9784 9.4954 9.4967 9.8015 9.8069 10.9958 11.0064 11.1547 11.1694 k = 0.0000 0.1750 0.3486 ( 3066 PWs) bands (ev): -6.7101 -6.7101 -6.3358 -6.3338 -2.2205 -2.1904 -2.1473 -2.1303 -1.6421 -1.5966 -1.4976 -1.4282 -1.4055 -1.3928 -0.5429 -0.5423 -0.5035 -0.4359 -0.3028 -0.2295 -0.0845 -0.0724 0.0089 0.0215 2.3988 2.4037 2.7578 2.7622 4.3324 4.3347 4.4715 4.4944 4.6873 4.7459 4.9867 4.9870 9.4666 9.4680 9.7882 9.7934 11.1163 11.1283 11.2546 11.2662 k = 0.0000 0.1875 0.3486 ( 3066 PWs) bands (ev): -6.6982 -6.6981 -6.3313 -6.3292 -2.2203 -2.1889 -2.1399 -2.1222 -1.6391 -1.5900 -1.4950 -1.4205 -1.4064 -1.3934 -0.5409 -0.5399 -0.5006 -0.4260 -0.3001 -0.2221 -0.0820 -0.0678 0.0073 0.0209 2.3091 2.3134 2.6909 2.6939 4.3449 4.3473 4.4939 4.5162 4.6798 4.7386 4.9956 4.9960 9.4350 9.4366 9.7694 9.7746 11.2409 11.2549 11.3581 11.3646 k = 0.0000 0.2000 0.3486 ( 3062 PWs) bands (ev): -6.6857 -6.6856 -6.3267 -6.3245 -2.2199 -2.1875 -2.1321 -2.1137 -1.6360 -1.5835 -1.4919 -1.4126 -1.4070 -1.3938 -0.5392 -0.5364 -0.4978 -0.4157 -0.2971 -0.2144 -0.0795 -0.0628 0.0057 0.0204 2.2185 2.2222 2.6206 2.6221 4.3579 4.3605 4.5160 4.5375 4.6755 4.7341 5.0049 5.0052 9.4009 9.4025 9.7454 9.7508 11.3654 11.3832 11.4643 11.4662 k = 0.0000 0.2125 0.3486 ( 3062 PWs) bands (ev): -6.6727 -6.6726 -6.3221 -6.3198 -2.2194 -2.1862 -2.1239 -2.1051 -1.6327 -1.5774 -1.4881 -1.4073 -1.4047 -1.3938 -0.5372 -0.5322 -0.4949 -0.4050 -0.2936 -0.2067 -0.0768 -0.0574 0.0043 0.0199 2.1274 2.1306 2.5472 2.5473 4.3713 4.3740 4.5376 4.5583 4.6744 4.7325 5.0143 5.0147 9.3644 9.3662 9.7166 9.7222 11.4843 11.5087 11.5655 11.5806 k = 0.0000 0.2250 0.3486 ( 3054 PWs) bands (ev): -6.6593 -6.6591 -6.3176 -6.3152 -2.2187 -2.1849 -2.1152 -2.0962 -1.6294 -1.5716 -1.4835 -1.4070 -1.3986 -1.3915 -0.5350 -0.5275 -0.4921 -0.3940 -0.2897 -0.1988 -0.0740 -0.0515 0.0031 0.0197 2.0362 2.0390 2.4698 2.4714 4.3851 4.3879 4.5586 4.5785 4.6766 4.7338 5.0240 5.0244 9.3259 9.3279 9.6832 9.6891 11.5937 11.6251 11.6684 11.7003 k = 0.0000 0.2375 0.3486 ( 3050 PWs) bands (ev): -6.6455 -6.6453 -6.3131 -6.3106 -2.2179 -2.1837 -2.1063 -2.0872 -1.6260 -1.5665 -1.4783 -1.4062 -1.3969 -1.3846 -0.5325 -0.5221 -0.4892 -0.3827 -0.2853 -0.1909 -0.0711 -0.0452 0.0021 0.0196 1.9453 1.9477 2.3904 2.3934 4.3992 4.4021 4.5787 4.5979 4.6821 4.7380 5.0337 5.0341 9.2857 9.2879 9.6455 9.6518 11.6928 11.7295 11.7664 11.8170 k = 0.0000 0.2500 0.3486 ( 3046 PWs) bands (ev): -6.6314 -6.6311 -6.3088 -6.3062 -2.2169 -2.1826 -2.0972 -2.0781 -1.6226 -1.5620 -1.4724 -1.4049 -1.3967 -1.3758 -0.5297 -0.5162 -0.4863 -0.3711 -0.2803 -0.1829 -0.0681 -0.0386 0.0016 0.0197 1.8550 1.8572 2.3094 2.3138 4.4135 4.4164 4.5977 4.6164 4.6907 4.7449 5.0435 5.0439 9.2443 9.2466 9.6039 9.6105 11.7811 11.8254 11.8441 11.9175 k = 0.0000 0.2625 0.3486 ( 3046 PWs) bands (ev): -6.6170 -6.6166 -6.3047 -6.3020 -2.2159 -2.1816 -2.0878 -2.0690 -1.6192 -1.5583 -1.4660 -1.4028 -1.3966 -1.3667 -0.5267 -0.5096 -0.4834 -0.3592 -0.2749 -0.1751 -0.0650 -0.0320 0.0018 0.0201 1.7658 1.7677 2.2274 2.2331 4.4280 4.4309 4.6156 4.6341 4.7024 4.7544 5.0532 5.0537 9.2019 9.2045 9.5588 9.5657 11.8539 11.8910 11.9172 11.9934 k = 0.0000 0.2750 0.3486 ( 3046 PWs) bands (ev): -6.6025 -6.6020 -6.3008 -6.2980 -2.2147 -2.1808 -2.0784 -2.0599 -1.6159 -1.5554 -1.4593 -1.3998 -1.3964 -1.3574 -0.5235 -0.5024 -0.4804 -0.3473 -0.2688 -0.1674 -0.0617 -0.0257 0.0034 0.0208 1.6779 1.6797 2.1448 2.1516 4.4424 4.4454 4.6325 4.6509 4.7167 4.7661 5.0629 5.0634 9.1591 9.1618 9.5108 9.5179 11.9032 11.9145 12.0039 12.0575 k = 0.0000 0.2875 0.3486 ( 3042 PWs) bands (ev): -6.5878 -6.5873 -6.2972 -6.2944 -2.2134 -2.1801 -2.0688 -2.0508 -1.6125 -1.5531 -1.4524 -1.3961 -1.3957 -1.3479 -0.5200 -0.4948 -0.4772 -0.3352 -0.2620 -0.1600 -0.0583 -0.0207 0.0072 0.0218 1.5916 1.5935 2.0620 2.0698 4.4569 4.4599 4.6484 4.6669 4.7332 4.7797 5.0724 5.0730 9.1162 9.1191 9.4602 9.4675 11.9245 11.9288 12.0871 12.1257 k = 0.0000 0.3000 0.3486 ( 3062 PWs) bands (ev): -6.5731 -6.5725 -6.2939 -6.2910 -2.2122 -2.1797 -2.0593 -2.0420 -1.6094 -1.5516 -1.4460 -1.3958 -1.3904 -1.3386 -0.5165 -0.4873 -0.4733 -0.3233 -0.2546 -0.1529 -0.0547 -0.0174 0.0137 0.0232 1.5073 1.5093 1.9796 1.9882 4.4712 4.4741 4.6638 4.6823 4.7512 4.7947 5.0817 5.0823 9.0736 9.0767 9.4078 9.4151 11.9295 11.9411 12.1667 12.1981 k = 0.0000 0.3125 0.3486 ( 3062 PWs) bands (ev): -6.5585 -6.5578 -6.2909 -6.2880 -2.2108 -2.1792 -2.0498 -2.0332 -1.6061 -1.5505 -1.4399 -1.3953 -1.3838 -1.3294 -0.5127 -0.4808 -0.4675 -0.3116 -0.2464 -0.1461 -0.0509 -0.0155 0.0228 0.0251 1.4252 1.4277 1.8979 1.9071 4.4853 4.4882 4.6788 4.6971 4.7701 4.8107 5.0908 5.0914 9.0318 9.0350 9.3541 9.3614 11.9335 11.9485 12.2429 12.2711 k = 0.0000 0.3250 0.3486 ( 3066 PWs) bands (ev): -6.5439 -6.5431 -6.2884 -6.2854 -2.2093 -2.1790 -2.0405 -2.0247 -1.6030 -1.5500 -1.4345 -1.3947 -1.3759 -1.3203 -0.5088 -0.4763 -0.4591 -0.3002 -0.2374 -0.1397 -0.0468 -0.0144 0.0275 0.0337 1.3458 1.3488 1.8173 1.8270 4.4990 4.5019 4.6936 4.7115 4.7896 4.8273 5.0995 5.1002 8.9911 8.9945 9.2997 9.3068 11.9385 11.9552 12.3155 12.3425 k = 0.0000 0.3375 0.3486 ( 3062 PWs) bands (ev): -6.5296 -6.5287 -6.2862 -6.2833 -2.2077 -2.1788 -2.0313 -2.0164 -1.5998 -1.5498 -1.4294 -1.3939 -1.3670 -1.3115 -0.5048 -0.4731 -0.4486 -0.2895 -0.2275 -0.1337 -0.0423 -0.0134 0.0305 0.0459 1.2694 1.2731 1.7382 1.7483 4.5124 4.5151 4.7082 4.7256 4.8091 4.8441 5.1079 5.1086 8.9521 8.9555 9.2452 9.2522 11.9454 11.9627 12.3845 12.4112 k = 0.0000 0.3500 0.3486 ( 3056 PWs) bands (ev): -6.5155 -6.5145 -6.2845 -6.2816 -2.2061 -2.1787 -2.0224 -2.0085 -1.5968 -1.5500 -1.4249 -1.3929 -1.3573 -1.3031 -0.5008 -0.4706 -0.4367 -0.2795 -0.2169 -0.1283 -0.0373 -0.0124 0.0340 0.0589 1.1963 1.2010 1.6611 1.6713 4.5252 4.5279 4.7226 4.7392 4.8284 4.8608 5.1159 5.1166 8.9150 8.9185 9.1912 9.1979 11.9542 11.9716 12.4498 12.4767 k = 0.0000 0.3625 0.3486 ( 3046 PWs) bands (ev): -6.5018 -6.5007 -6.2832 -6.2803 -2.2044 -2.1787 -2.0138 -2.0010 -1.5937 -1.5504 -1.4207 -1.3920 -1.3471 -1.2951 -0.4967 -0.4685 -0.4238 -0.2704 -0.2056 -0.1232 -0.0318 -0.0112 0.0381 0.0725 1.1269 1.1329 1.5863 1.5966 4.5375 4.5400 4.7367 4.7523 4.8472 4.8770 5.1234 5.1241 8.8803 8.8838 9.1382 9.1446 11.9648 11.9820 12.5108 12.5383 k = 0.0000 0.3750 0.3486 ( 3046 PWs) bands (ev): -6.4885 -6.4874 -6.2824 -6.2796 -2.2027 -2.1788 -2.0057 -1.9940 -1.5909 -1.5511 -1.4168 -1.3910 -1.3368 -1.2877 -0.4927 -0.4668 -0.4100 -0.2624 -0.1939 -0.1188 -0.0257 -0.0097 0.0427 0.0863 1.0618 1.0691 1.5143 1.5245 4.5491 4.5514 4.7503 4.7648 4.8653 4.8926 5.1304 5.1311 8.8484 8.8518 9.0869 9.0929 11.9769 11.9936 12.5667 12.5950 k = 0.0000 0.3875 0.3486 ( 3046 PWs) bands (ev): -6.4758 -6.4747 -6.2821 -6.2793 -2.2011 -2.1792 -1.9982 -1.9876 -1.5881 -1.5520 -1.4131 -1.3901 -1.3266 -1.2811 -0.4889 -0.4653 -0.3956 -0.2556 -0.1820 -0.1149 -0.0188 -0.0077 0.0477 0.0997 1.0013 1.0102 1.4455 1.4555 4.5598 4.5620 4.7634 4.7767 4.8825 4.9072 5.1369 5.1375 8.8195 8.8229 9.0378 9.0433 11.9901 12.0059 12.6148 12.6443 k = 0.0000 0.4000 0.3486 ( 3040 PWs) bands (ev): -6.4638 -6.4626 -6.2821 -6.2795 -2.1993 -2.1796 -1.9911 -1.9817 -1.5854 -1.5531 -1.4095 -1.3891 -1.3165 -1.2751 -0.4851 -0.4641 -0.3805 -0.2502 -0.1702 -0.1115 -0.0111 -0.0052 0.0530 0.1124 0.9461 0.9567 1.3805 1.3901 4.5698 4.5718 4.7757 4.7877 4.8986 4.9207 5.1427 5.1434 8.7940 8.7972 8.9912 8.9962 12.0039 12.0187 12.6492 12.6778 k = 0.0000 0.4125 0.3486 ( 3040 PWs) bands (ev): -6.4526 -6.4514 -6.2825 -6.2801 -2.1977 -2.1801 -1.9847 -1.9765 -1.5827 -1.5544 -1.4062 -1.3884 -1.3069 -1.2700 -0.4816 -0.4631 -0.3651 -0.2462 -0.1588 -0.1087 -0.0026 -0.0021 0.0584 0.1236 0.8969 0.9091 1.3198 1.3290 4.5788 4.5806 4.7871 4.7977 4.9135 4.9329 5.1480 5.1486 8.7722 8.7752 8.9477 8.9522 12.0178 12.0313 12.6627 12.6837 k = 0.0000 0.4250 0.3486 ( 3042 PWs) bands (ev): -6.4423 -6.4412 -6.2833 -6.2810 -2.1960 -2.1808 -1.9790 -1.9720 -1.5802 -1.5558 -1.4031 -1.3878 -1.2980 -1.2658 -0.4783 -0.4624 -0.3495 -0.2439 -0.1481 -0.1065 0.0016 0.0067 0.0637 0.1326 0.8543 0.8676 1.2641 1.2727 4.5867 4.5883 4.7975 4.8067 4.9268 4.9437 5.1526 5.1531 8.7542 8.7570 8.9078 8.9116 12.0312 12.0432 12.6625 12.6775 k = 0.0000 0.4375 0.3486 ( 3042 PWs) bands (ev): -6.4332 -6.4321 -6.2842 -6.2822 -2.1944 -2.1816 -1.9740 -1.9682 -1.5777 -1.5573 -1.4002 -1.3874 -1.2897 -1.2626 -0.4752 -0.4620 -0.3340 -0.2433 -0.1384 -0.1049 0.0060 0.0161 0.0691 0.1387 0.8188 0.8327 1.2143 1.2221 4.5936 4.5950 4.8067 4.8144 4.9387 4.9528 5.1566 5.1570 8.7404 8.7428 8.8717 8.8749 12.0438 12.0541 12.6588 12.6706 k = 0.0000 0.4500 0.3486 ( 3038 PWs) bands (ev): -6.4252 -6.4242 -6.2852 -6.2835 -2.1927 -2.1824 -1.9698 -1.9651 -1.5753 -1.5589 -1.3974 -1.3872 -1.2823 -1.2603 -0.4724 -0.4619 -0.3188 -0.2444 -0.1298 -0.1040 0.0109 0.0249 0.0751 0.1413 0.7909 0.8044 1.1713 1.1782 4.5994 4.6005 4.8145 4.8207 4.9488 4.9601 5.1599 5.1603 8.7308 8.7328 8.8399 8.8425 12.0550 12.0634 12.6555 12.6651 k = 0.0000 0.4625 0.3486 ( 3042 PWs) bands (ev): -6.4187 -6.4179 -6.2862 -6.2848 -2.1912 -2.1834 -1.9664 -1.9629 -1.5729 -1.5607 -1.3951 -1.3874 -1.2758 -1.2593 -0.4700 -0.4621 -0.3044 -0.2475 -0.1225 -0.1038 0.0163 0.0315 0.0826 0.1401 0.7707 0.7825 1.1363 1.1419 4.6039 4.6048 4.8209 4.8256 4.9571 4.9657 5.1625 5.1628 8.7252 8.7268 8.8129 8.8149 12.0644 12.0709 12.6537 12.6614 k = 0.0000 0.4750 0.3486 ( 3044 PWs) bands (ev): -6.4138 -6.4133 -6.2870 -6.2860 -2.1897 -2.1845 -1.9637 -1.9614 -1.5707 -1.5625 -1.3930 -1.3878 -1.2704 -1.2593 -0.4678 -0.4626 -0.2910 -0.2526 -0.1166 -0.1044 0.0218 0.0347 0.0923 0.1350 0.7578 0.7667 1.1104 1.1145 4.6072 4.6078 4.8258 4.8289 4.9635 4.9692 5.1643 5.1645 8.7233 8.7244 8.7915 8.7928 12.0717 12.0761 12.6535 12.6591 k = 0.0000 0.4875 0.3486 ( 3044 PWs) bands (ev): -6.4108 -6.4105 -6.2874 -6.2869 -2.1883 -2.1857 -1.9619 -1.9608 -1.5685 -1.5644 -1.3912 -1.3886 -1.2659 -1.2604 -0.4660 -0.4634 -0.2789 -0.2595 -0.1119 -0.1059 0.0271 0.0345 0.1038 0.1266 0.7516 0.7564 1.0949 1.0970 4.6093 4.6096 4.8290 4.8306 4.9680 4.9708 5.1655 5.1656 8.7241 8.7246 8.7769 8.7776 12.0766 12.0789 12.6544 12.6574 k = 0.0000 0.5000 0.3486 ( 3044 PWs) bands (ev): -6.4096 -6.4096 -6.2874 -6.2874 -2.1870 -2.1870 -1.9609 -1.9609 -1.5664 -1.5664 -1.3898 -1.3898 -1.2626 -1.2626 -0.4645 -0.4645 -0.2683 -0.2683 -0.1083 -0.1083 0.0316 0.0316 0.1157 0.1157 0.7514 0.7514 1.0903 1.0903 4.6101 4.6101 4.8306 4.8306 4.9704 4.9704 5.1659 5.1659 8.7251 8.7251 8.7717 8.7717 12.0791 12.0791 12.6559 12.6559 k = 0.0000 0.5000 0.3486 ( 3044 PWs) bands (ev): -6.4096 -6.4096 -6.2874 -6.2874 -2.1870 -2.1870 -1.9609 -1.9609 -1.5664 -1.5664 -1.3898 -1.3898 -1.2626 -1.2626 -0.4645 -0.4645 -0.2683 -0.2683 -0.1083 -0.1083 0.0316 0.0316 0.1157 0.1157 0.7514 0.7514 1.0903 1.0903 4.6101 4.6101 4.8306 4.8306 4.9704 4.9704 5.1659 5.1659 8.7251 8.7251 8.7717 8.7717 12.0791 12.0791 12.6559 12.6559 k = 0.0125 0.5000 0.3486 ( 3052 PWs) bands (ev): -6.4093 -6.4092 -6.2872 -6.2871 -2.1886 -2.1850 -1.9645 -1.9575 -1.5663 -1.5662 -1.3925 -1.3872 -1.2630 -1.2622 -0.4688 -0.4601 -0.2726 -0.2642 -0.1109 -0.1056 0.0290 0.0337 0.1148 0.1172 0.7520 0.7524 1.0912 1.0916 4.6035 4.6039 4.8273 4.8300 4.9688 4.9707 5.1610 5.1616 8.7312 8.7324 8.7766 8.7771 12.0796 12.0830 12.6484 12.6528 k = 0.0250 0.5000 0.3486 ( 3044 PWs) bands (ev): -6.4081 -6.4080 -6.2865 -6.2863 -2.1896 -2.1826 -1.9680 -1.9540 -1.5655 -1.5653 -1.3953 -1.3848 -1.2631 -1.2617 -0.4728 -0.4555 -0.2769 -0.2601 -0.1133 -0.1027 0.0257 0.0352 0.1144 0.1192 0.7545 0.7552 1.0943 1.0950 4.5846 4.5852 4.8198 4.8255 4.9660 4.9694 5.1472 5.1485 8.7507 8.7531 8.7917 8.7926 12.0844 12.0913 12.6307 12.6392 k = 0.0375 0.5000 0.3486 ( 3048 PWs) bands (ev): -6.4061 -6.4060 -6.2853 -6.2851 -2.1903 -2.1798 -1.9716 -1.9507 -1.5643 -1.5641 -1.3983 -1.3825 -1.2632 -1.2611 -0.4766 -0.4508 -0.2814 -0.2561 -0.1155 -0.0997 0.0219 0.0362 0.1145 0.1217 0.7586 0.7597 1.0996 1.1006 4.5540 4.5547 4.8080 4.8168 4.9614 4.9662 5.1247 5.1272 8.7831 8.7865 8.8165 8.8179 12.0930 12.1038 12.6039 12.6142 k = 0.0500 0.5000 0.3486 ( 3052 PWs) bands (ev): -6.4034 -6.4032 -6.2838 -6.2835 -2.1906 -2.1765 -1.9753 -1.9475 -1.5624 -1.5623 -1.4015 -1.3804 -1.2633 -1.2604 -0.4801 -0.4459 -0.2858 -0.2524 -0.1175 -0.0965 0.0177 0.0368 0.1151 0.1245 0.7643 0.7660 1.1070 1.1084 4.5130 4.5134 4.7913 4.8037 4.9549 4.9605 5.0946 5.0986 8.8277 8.8320 8.8506 8.8526 12.1045 12.1201 12.5638 12.5698 k = 0.0625 0.5000 0.3486 ( 3048 PWs) bands (ev): -6.3999 -6.3997 -6.2817 -6.2813 -2.1903 -2.1728 -1.9789 -1.9444 -1.5600 -1.5600 -1.4047 -1.3784 -1.2631 -1.2596 -0.4833 -0.4410 -0.2903 -0.2487 -0.1192 -0.0932 0.0130 0.0370 0.1161 0.1276 0.7716 0.7739 1.1165 1.1183 4.4627 4.4628 4.7692 4.7857 4.9458 4.9521 5.0580 5.0643 8.8833 8.8881 8.8934 8.8965 12.1177 12.1390 12.4978 12.5307 k = 0.0750 0.5000 0.3486 ( 3044 PWs) bands (ev): -6.3956 -6.3954 -6.2792 -6.2788 -2.1896 -2.1686 -1.9825 -1.9413 -1.5572 -1.5570 -1.4081 -1.3764 -1.2629 -1.2588 -0.4862 -0.4359 -0.2947 -0.2451 -0.1207 -0.0899 0.0081 0.0371 0.1175 0.1309 0.7805 0.7834 1.1281 1.1304 4.4039 4.4046 4.7409 4.7622 4.9337 4.9406 5.0167 5.0257 8.9421 8.9454 8.9510 8.9569 12.1297 12.1584 12.4266 12.4899 k = 0.0875 0.5000 0.3486 ( 3044 PWs) bands (ev): -6.3907 -6.3904 -6.2763 -6.2758 -2.1885 -2.1641 -1.9862 -1.9385 -1.5540 -1.5536 -1.4115 -1.3746 -1.2626 -1.2580 -0.4887 -0.4307 -0.2992 -0.2418 -0.1220 -0.0866 0.0029 0.0370 0.1193 0.1344 0.7908 0.7944 1.1418 1.1446 4.3381 4.3395 4.7055 4.7321 4.9177 4.9258 4.9731 4.9847 8.9995 9.0035 9.0259 9.0323 12.1362 12.1742 12.3532 12.4220 k = 0.1000 0.5000 0.3486 ( 3056 PWs) bands (ev): -6.3850 -6.3847 -6.2730 -6.2724 -2.1871 -2.1594 -1.9898 -1.9358 -1.5506 -1.5497 -1.4151 -1.3730 -1.2623 -1.2571 -0.4909 -0.4255 -0.3036 -0.2385 -0.1231 -0.0834 -0.0023 0.0368 0.1212 0.1378 0.8024 0.8069 1.1576 1.1609 4.2666 4.2687 4.6623 4.6942 4.8956 4.9074 4.9315 4.9432 9.0623 9.0672 9.1091 9.1158 12.1302 12.1785 12.2809 12.3401 k = 0.1125 0.5000 0.3486 ( 3052 PWs) bands (ev): -6.3787 -6.3784 -6.2693 -6.2687 -2.1852 -2.1541 -1.9933 -1.9331 -1.5466 -1.5452 -1.4186 -1.3713 -1.2618 -1.2561 -0.4927 -0.4201 -0.3078 -0.2354 -0.1240 -0.0802 -0.0075 0.0366 0.1234 0.1413 0.8153 0.8208 1.1754 1.1794 4.1907 4.1934 4.6111 4.6478 4.8633 4.8839 4.8977 4.9037 9.1301 9.1358 9.1991 9.2060 12.1040 12.1627 12.2137 12.2585 k = 0.1250 0.5000 0.3486 ( 3052 PWs) bands (ev): -6.3717 -6.3714 -6.2652 -6.2645 -2.1829 -2.1486 -1.9968 -1.9306 -1.5423 -1.5402 -1.4221 -1.3697 -1.2612 -1.2552 -0.4941 -0.4148 -0.3120 -0.2325 -0.1247 -0.0772 -0.0126 0.0365 0.1258 0.1448 0.8292 0.8358 1.1953 1.1998 4.1112 4.1145 4.5522 4.5925 4.8238 4.8516 4.8698 4.8707 9.2020 9.2087 9.2947 9.3017 12.0552 12.1250 12.1547 12.1801 k = 0.1375 0.5000 0.3486 ( 3048 PWs) bands (ev): -6.3641 -6.3638 -6.2608 -6.2601 -2.1802 -2.1426 -2.0002 -1.9282 -1.5377 -1.5348 -1.4255 -1.3681 -1.2605 -1.2541 -0.4951 -0.4094 -0.3159 -0.2296 -0.1253 -0.0746 -0.0173 0.0366 0.1284 0.1482 0.8441 0.8520 1.2171 1.2223 4.0293 4.0330 4.4866 4.5291 4.7827 4.8131 4.8415 4.8421 9.2772 9.2849 9.3947 9.4016 11.9914 12.0682 12.1010 12.1104 k = 0.1500 0.5000 0.3486 ( 3048 PWs) bands (ev): -6.3559 -6.3556 -6.2561 -6.2553 -2.1772 -2.1364 -2.0036 -1.9260 -1.5328 -1.5290 -1.4289 -1.3666 -1.2598 -1.2531 -0.4956 -0.4040 -0.3197 -0.2269 -0.1257 -0.0724 -0.0215 0.0369 0.1310 0.1516 0.8598 0.8690 1.2408 1.2468 3.9458 3.9498 4.4155 4.4593 4.7417 4.7729 4.8112 4.8125 9.3551 9.3637 9.4981 9.5050 11.9219 11.9982 12.0487 12.0504 k = 0.1625 0.5000 0.3486 ( 3052 PWs) bands (ev): -6.3473 -6.3469 -6.2511 -6.2503 -2.1739 -2.1300 -2.0070 -1.9239 -1.5277 -1.5229 -1.4322 -1.3651 -1.2590 -1.2521 -0.4957 -0.3987 -0.3231 -0.2242 -0.1260 -0.0709 -0.0248 0.0374 0.1338 0.1548 0.8760 0.8867 1.2664 1.2732 3.8617 3.8659 4.3401 4.3844 4.7003 4.7317 4.7785 4.7805 9.4351 9.4446 9.6039 9.6106 11.8517 11.9251 11.9946 11.9968 k = 0.1750 0.5000 0.3486 ( 3052 PWs) bands (ev): -6.3382 -6.3378 -6.2458 -6.2450 -2.1703 -2.1232 -2.0102 -1.9219 -1.5223 -1.5164 -1.4352 -1.3635 -1.2582 -1.2513 -0.4954 -0.3935 -0.3261 -0.2217 -0.1262 -0.0704 -0.0270 0.0382 0.1367 0.1579 0.8926 0.9049 1.2939 1.3014 3.7778 3.7820 4.2617 4.3061 4.6582 4.6895 4.7432 4.7460 9.5165 9.5269 9.7113 9.7178 11.7831 11.8535 11.9411 11.9461 k = 0.1875 0.5000 0.3486 ( 3048 PWs) bands (ev): -6.3286 -6.3282 -6.2404 -6.2395 -2.1664 -2.1161 -2.0134 -1.9200 -1.5166 -1.5098 -1.4378 -1.3618 -1.2573 -1.2504 -0.4945 -0.3886 -0.3285 -0.2192 -0.1263 -0.0711 -0.0277 0.0394 0.1396 0.1609 0.9094 0.9234 1.3232 1.3315 3.6948 3.6989 4.1812 4.2254 4.6147 4.6458 4.7054 4.7088 9.5989 9.6102 9.8193 9.8256 11.7173 11.7849 11.8900 11.8974 k = 0.2000 0.5000 0.3486 ( 3052 PWs) bands (ev): -6.3187 -6.3183 -6.2347 -6.2338 -2.1623 -2.1089 -2.0165 -1.9182 -1.5109 -1.5031 -1.4402 -1.3602 -1.2565 -1.2496 -0.4932 -0.3843 -0.3302 -0.2169 -0.1264 -0.0729 -0.0270 0.0410 0.1427 0.1637 0.9260 0.9418 1.3542 1.3634 3.6135 3.6173 4.0996 4.1434 4.5695 4.6005 4.6651 4.6692 9.6820 9.6939 9.9272 9.9334 11.6550 11.7202 11.8419 11.8513 k = 0.2125 0.5000 0.3486 ( 3048 PWs) bands (ev): -6.3085 -6.3080 -6.2289 -6.2280 -2.1581 -2.1015 -2.0194 -1.9165 -1.5051 -1.4965 -1.4418 -1.3583 -1.2555 -1.2488 -0.4915 -0.3807 -0.3307 -0.2146 -0.1264 -0.0757 -0.0250 0.0431 0.1458 0.1664 0.9422 0.9598 1.3870 1.3970 3.5346 3.5380 4.0176 4.0609 4.5226 4.5533 4.6223 4.6271 9.7652 9.7777 10.0342 10.0405 11.5966 11.6596 11.7974 11.8087 k = 0.2250 0.5000 0.3486 ( 3064 PWs) bands (ev): -6.2980 -6.2976 -6.2229 -6.2220 -2.1538 -2.0942 -2.0223 -1.9149 -1.4994 -1.4905 -1.4427 -1.3564 -1.2547 -1.2482 -0.4895 -0.3782 -0.3298 -0.2123 -0.1265 -0.0792 -0.0220 0.0456 0.1489 0.1690 0.9576 0.9772 1.4213 1.4322 3.4588 3.4616 3.9359 3.9785 4.4736 4.5041 4.5773 4.5826 9.8482 9.8612 10.1398 10.1461 11.5425 11.6035 11.7570 11.7701 k = 0.2375 0.5000 0.3486 ( 3064 PWs) bands (ev): -6.2873 -6.2869 -6.2169 -6.2160 -2.1494 -2.0866 -2.0249 -1.9133 -1.4936 -1.4851 -1.4422 -1.3543 -1.2539 -1.2477 -0.4870 -0.3771 -0.3272 -0.2101 -0.1266 -0.0831 -0.0181 0.0487 0.1522 0.1715 0.9720 0.9936 1.4572 1.4689 3.3868 3.3889 3.8552 3.8970 4.4227 4.4530 4.5301 4.5358 9.9309 9.9442 10.2431 10.2497 11.4929 11.5520 11.7213 11.7360 k = 0.2500 0.5000 0.3486 ( 3068 PWs) bands (ev): -6.2765 -6.2761 -6.2109 -6.2099 -2.1449 -2.0792 -2.0272 -1.9119 -1.4880 -1.4809 -1.4401 -1.3520 -1.2531 -1.2473 -0.4841 -0.3771 -0.3232 -0.2080 -0.1267 -0.0872 -0.0135 0.0524 0.1555 0.1738 0.9850 1.0086 1.4945 1.5071 3.3192 3.3205 3.7758 3.8168 4.3698 4.3999 4.4807 4.4869 10.0128 10.0263 10.3437 10.3506 11.4480 11.5053 11.6905 11.7068 k = 0.2625 0.5000 0.3486 ( 3068 PWs) bands (ev): -6.2657 -6.2653 -6.2048 -6.2039 -2.1403 -2.0720 -2.0290 -1.9104 -1.4824 -1.4781 -1.4361 -1.3495 -1.2523 -1.2471 -0.4810 -0.3781 -0.3179 -0.2059 -0.1268 -0.0914 -0.0083 0.0567 0.1589 0.1760 0.9962 1.0218 1.5331 1.5465 3.2566 3.2570 3.6984 3.7384 4.3149 4.3450 4.4295 4.4360 10.0937 10.1072 10.4407 10.4482 11.4078 11.4634 11.6652 11.6832 k = 0.2750 0.5000 0.3486 ( 3072 PWs) bands (ev): -6.2548 -6.2544 -6.1988 -6.1979 -2.1358 -2.0654 -2.0301 -1.9091 -1.4771 -1.4764 -1.4306 -1.3467 -1.2516 -1.2470 -0.4775 -0.3798 -0.3115 -0.2038 -0.1270 -0.0955 -0.0025 0.0617 0.1624 0.1781 1.0053 1.0328 1.5729 1.5872 3.1991 3.1996 3.6234 3.6623 4.2583 4.2881 4.3764 4.3833 10.1734 10.1868 10.5336 10.5418 11.3724 11.4262 11.6457 11.6654 k = 0.2875 0.5000 0.3486 ( 3068 PWs) bands (ev): -6.2440 -6.2436 -6.1928 -6.1919 -2.1313 -2.0599 -2.0298 -1.9078 -1.4756 -1.4719 -1.4238 -1.3437 -1.2510 -1.2471 -0.4739 -0.3819 -0.3045 -0.2017 -0.1273 -0.0996 0.0039 0.0673 0.1660 0.1800 1.0120 1.0413 1.6138 1.6288 3.1473 3.1487 3.5513 3.5890 4.1999 4.2296 4.3217 4.3287 10.2516 10.2646 10.6215 10.6306 11.3417 11.3938 11.6325 11.6538 k = 0.3000 0.5000 0.3486 ( 3072 PWs) bands (ev): -6.2334 -6.2330 -6.1870 -6.1861 -2.1270 -2.0564 -2.0276 -1.9067 -1.4751 -1.4672 -1.4162 -1.3405 -1.2505 -1.2474 -0.4701 -0.3843 -0.2970 -0.1997 -0.1277 -0.1035 0.0109 0.0737 0.1696 0.1818 1.0159 1.0469 1.6556 1.6713 3.1021 3.1045 3.4825 3.5189 4.1399 4.1695 4.2654 4.2726 10.3280 10.3405 10.7037 10.7139 11.3156 11.3660 11.6260 11.6489 k = 0.3125 0.5000 0.3486 ( 3072 PWs) bands (ev): -6.2229 -6.2226 -6.1813 -6.1804 -2.1228 -2.0550 -2.0231 -1.9056 -1.4749 -1.4628 -1.4081 -1.3369 -1.2501 -1.2480 -0.4661 -0.3869 -0.2891 -0.1977 -0.1281 -0.1073 0.0184 0.0808 0.1733 0.1834 1.0170 1.0494 1.6980 1.7144 3.0639 3.0672 3.4174 3.4524 4.0786 4.1081 4.2078 4.2151 10.4024 10.4141 10.7794 10.7907 11.2940 11.3426 11.6263 11.6507 k = 0.3250 0.5000 0.3486 ( 3072 PWs) bands (ev): -6.2128 -6.2124 -6.1757 -6.1749 -2.1188 -2.0552 -2.0170 -1.9047 -1.4745 -1.4589 -1.3996 -1.3331 -1.2499 -1.2487 -0.4622 -0.3896 -0.2810 -0.1957 -0.1286 -0.1109 0.0266 0.0886 0.1771 0.1849 1.0151 1.0486 1.7408 1.7578 3.0331 3.0373 3.3565 3.3899 4.0161 4.0454 4.1491 4.1564 10.4743 10.4851 10.8480 10.8604 11.2768 11.3234 11.6334 11.6589 k = 0.3375 0.5000 0.3486 ( 3064 PWs) bands (ev): -6.2030 -6.2027 -6.1704 -6.1696 -2.1148 -2.0562 -2.0099 -1.9039 -1.4740 -1.4554 -1.3909 -1.3289 -1.2498 -1.2497 -0.4581 -0.3922 -0.2728 -0.1938 -0.1292 -0.1144 0.0354 0.0971 0.1810 0.1862 1.0102 1.0445 1.7838 1.8012 3.0099 3.0148 3.3002 3.3321 3.9527 3.9817 4.0894 4.0967 10.5435 10.5532 10.9093 10.9225 11.2636 11.3082 11.6466 11.6728 k = 0.3500 0.5000 0.3486 ( 3064 PWs) bands (ev): -6.1936 -6.1933 -6.1653 -6.1646 -2.1112 -2.0578 -2.0024 -1.9034 -1.4734 -1.4524 -1.3823 -1.3246 -1.2509 -1.2499 -0.4542 -0.3949 -0.2646 -0.1920 -0.1299 -0.1176 0.0447 0.1063 0.1850 0.1874 1.0024 1.0372 1.8265 1.8443 2.9943 2.9998 3.2491 3.2792 3.8885 3.9173 4.0289 4.0361 10.6096 10.6181 10.9632 10.9769 11.2541 11.2965 11.6647 11.6912 k = 0.3625 0.5000 0.3486 ( 3064 PWs) bands (ev): -6.1846 -6.1844 -6.1605 -6.1598 -2.1077 -2.0596 -1.9947 -1.9030 -1.4725 -1.4500 -1.3736 -1.3200 -1.2525 -1.2501 -0.4505 -0.3975 -0.2565 -0.1903 -0.1307 -0.1207 0.0546 0.1160 0.1884 0.1890 0.9920 1.0268 1.8686 1.8866 2.9862 2.9923 3.2036 3.2319 3.8239 3.8524 3.9678 3.9748 10.6722 10.6794 11.0101 11.0240 11.2479 11.2880 11.6857 11.7118 k = 0.3750 0.5000 0.3486 ( 3060 PWs) bands (ev): -6.1763 -6.1760 -6.1560 -6.1554 -2.1044 -2.0615 -1.9870 -1.9030 -1.4713 -1.4480 -1.3650 -1.3153 -1.2543 -1.2506 -0.4468 -0.4000 -0.2485 -0.1887 -0.1315 -0.1235 0.0649 0.1261 0.1892 0.1931 0.9793 1.0137 1.9097 1.9276 2.9854 2.9919 3.1643 3.1907 3.7592 3.7874 3.9065 3.9132 10.7310 10.7369 11.0508 11.0644 11.2446 11.2820 11.7071 11.7321 k = 0.3875 0.5000 0.3486 ( 3060 PWs) bands (ev): -6.1685 -6.1683 -6.1518 -6.1513 -2.1013 -2.0635 -1.9794 -1.9032 -1.4700 -1.4465 -1.3566 -1.3105 -1.2565 -1.2514 -0.4433 -0.4025 -0.2408 -0.1873 -0.1324 -0.1262 0.0757 0.1363 0.1899 0.1971 0.9650 0.9983 1.9492 1.9669 2.9914 2.9984 3.1319 3.1562 3.6946 3.7224 3.8450 3.8514 10.7857 10.7904 11.0862 11.0993 11.2436 11.2781 11.7262 11.7496 k = 0.4000 0.5000 0.3486 ( 3064 PWs) bands (ev): -6.1614 -6.1612 -6.1480 -6.1476 -2.0985 -2.0655 -1.9720 -1.9038 -1.4684 -1.4455 -1.3483 -1.3058 -1.2590 -1.2524 -0.4401 -0.4049 -0.2334 -0.1860 -0.1333 -0.1287 0.0866 0.1464 0.1907 0.2012 0.9496 0.9814 1.9865 2.0037 3.0035 3.0113 3.1071 3.1289 3.6306 3.6579 3.7836 3.7897 10.8360 10.8395 11.1173 11.1295 11.2442 11.2755 11.7409 11.7622 k = 0.4125 0.5000 0.3486 ( 3068 PWs) bands (ev): -6.1550 -6.1548 -6.1446 -6.1442 -2.0959 -2.0675 -1.9647 -1.9048 -1.4666 -1.4451 -1.3403 -1.3009 -1.2618 -1.2536 -0.4371 -0.4071 -0.2264 -0.1851 -0.1343 -0.1310 0.0976 0.1558 0.1918 0.2052 0.9338 0.9635 2.0212 2.0374 3.0204 3.0301 3.0912 3.1095 3.5675 3.5944 3.7228 3.7284 10.8817 10.8842 11.1447 11.1559 11.2459 11.2737 11.7499 11.7688 k = 0.4250 0.5000 0.3486 ( 3072 PWs) bands (ev): -6.1493 -6.1492 -6.1416 -6.1413 -2.0935 -2.0695 -1.9578 -1.9062 -1.4647 -1.4451 -1.3325 -1.2962 -1.2649 -1.2551 -0.4343 -0.4093 -0.2198 -0.1845 -0.1352 -0.1330 0.1084 0.1635 0.1937 0.2091 0.9183 0.9453 2.0524 2.0674 3.0393 3.0539 3.0867 3.0985 3.5059 3.5321 3.6626 3.6678 10.9226 10.9243 11.1689 11.1790 11.2479 11.2720 11.7531 11.7694 k = 0.4375 0.5000 0.3486 ( 3072 PWs) bands (ev): -6.1444 -6.1444 -6.1389 -6.1387 -2.0911 -2.0715 -1.9512 -1.9080 -1.4626 -1.4454 -1.3250 -1.2916 -1.2684 -1.2569 -0.4317 -0.4114 -0.2136 -0.1842 -0.1361 -0.1348 0.1189 0.1685 0.1973 0.2127 0.9039 0.9277 2.0799 2.0932 3.0547 3.0804 3.0978 3.0988 3.4464 3.4717 3.6037 3.6082 10.9586 10.9595 11.1901 11.1991 11.2500 11.2701 11.7516 11.7653 k = 0.4500 0.5000 0.3486 ( 3072 PWs) bands (ev): -6.1405 -6.1404 -6.1367 -6.1366 -2.0889 -2.0734 -1.9449 -1.9102 -1.4604 -1.4461 -1.3178 -1.2873 -1.2720 -1.2590 -0.4293 -0.4134 -0.2080 -0.1844 -0.1370 -0.1363 0.1287 0.1705 0.2023 0.2159 0.8915 0.9113 2.1031 2.1143 3.0675 3.0970 3.1191 3.1256 3.3898 3.4139 3.5465 3.5504 10.9893 10.9897 11.2080 11.2158 11.2520 11.2679 11.7469 11.7580 k = 0.4625 0.5000 0.3486 ( 3072 PWs) bands (ev): -6.1375 -6.1373 -6.1350 -6.1349 -2.0868 -2.0753 -1.9390 -1.9129 -1.4582 -1.4471 -1.3110 -1.2837 -1.2755 -1.2614 -0.4270 -0.4154 -0.2029 -0.1851 -0.1377 -0.1375 0.1379 0.1700 0.2079 0.2184 0.8816 0.8970 2.1217 2.1304 3.0838 3.1114 3.1527 3.1595 3.3375 3.3596 3.4919 3.4950 11.0144 11.0144 11.2219 11.2286 11.2542 11.2656 11.7411 11.7494 k = 0.4750 0.5000 0.3486 ( 3080 PWs) bands (ev): -6.1354 -6.1352 -6.1337 -6.1335 -2.0849 -2.0772 -1.9335 -1.9161 -1.4561 -1.4486 -1.3045 -1.2835 -1.2763 -1.2641 -0.4250 -0.4173 -0.1983 -0.1865 -0.1384 -0.1383 0.1460 0.1677 0.2131 0.2200 0.8749 0.8855 2.1354 2.1415 3.1056 3.1315 3.1858 3.1951 3.2928 3.3105 3.4417 3.4439 11.0330 11.0331 11.2313 11.2366 11.2571 11.2640 11.7357 11.7414 k = 0.4875 0.5000 0.3486 ( 3088 PWs) bands (ev): -6.1342 -6.1340 -6.1327 -6.1326 -2.0830 -2.0792 -1.9285 -1.9198 -1.4541 -1.4503 -1.2984 -1.2875 -1.2735 -1.2670 -0.4230 -0.4192 -0.1944 -0.1885 -0.1388 -0.1388 0.1531 0.1640 0.2170 0.2205 0.8717 0.8771 2.1444 2.1475 3.1315 3.1527 3.2065 3.2221 3.2672 3.2734 3.4007 3.4019 11.0446 11.0448 11.2365 11.2396 11.2604 11.2635 11.7325 11.7353 k = 0.5000 0.5000 0.3486 ( 3080 PWs) bands (ev): -6.1337 -6.1337 -6.1323 -6.1323 -2.0810 -2.0810 -1.9238 -1.9238 -1.4521 -1.4521 -1.2926 -1.2926 -1.2701 -1.2701 -0.4211 -0.4211 -0.1911 -0.1911 -0.1390 -0.1390 0.1592 0.1592 0.2196 0.2196 0.8725 0.8725 2.1484 2.1484 3.1546 3.1546 3.2157 3.2157 3.2664 3.2664 3.3828 3.3828 11.0487 11.0487 11.2391 11.2391 11.2627 11.2627 11.7322 11.7322 k = 0.5000 0.5000 0.3486 ( 3080 PWs) bands (ev): -6.1337 -6.1337 -6.1323 -6.1323 -2.0810 -2.0810 -1.9238 -1.9238 -1.4521 -1.4521 -1.2926 -1.2926 -1.2701 -1.2701 -0.4211 -0.4211 -0.1911 -0.1911 -0.1390 -0.1390 0.1592 0.1592 0.2196 0.2196 0.8725 0.8725 2.1484 2.1484 3.1546 3.1546 3.2157 3.2157 3.2664 3.2664 3.3828 3.3828 11.0487 11.0487 11.2391 11.2391 11.2627 11.2627 11.7322 11.7322 k = 0.4912 0.4912 0.3486 ( 3088 PWs) bands (ev): -6.1342 -6.1340 -6.1327 -6.1326 -2.0830 -2.0792 -1.9285 -1.9198 -1.4541 -1.4503 -1.2984 -1.2875 -1.2735 -1.2670 -0.4230 -0.4192 -0.1944 -0.1885 -0.1388 -0.1388 0.1532 0.1640 0.2171 0.2204 0.8717 0.8771 2.1444 2.1475 3.1312 3.1525 3.2076 3.2242 3.2662 3.2715 3.4007 3.4019 11.0447 11.0448 11.2360 11.2395 11.2607 11.2638 11.7325 11.7353 k = 0.4825 0.4825 0.3486 ( 3078 PWs) bands (ev): -6.1356 -6.1354 -6.1335 -6.1332 -2.0848 -2.0773 -1.9334 -1.9161 -1.4561 -1.4486 -1.3045 -1.2829 -1.2770 -1.2640 -0.4249 -0.4174 -0.1981 -0.1867 -0.1385 -0.1382 0.1461 0.1676 0.2133 0.2199 0.8749 0.8854 2.1357 2.1418 3.1025 3.1281 3.1944 3.2037 3.2854 3.3026 3.4433 3.4454 11.0332 11.0332 11.2270 11.2339 11.2615 11.2673 11.7360 11.7414 k = 0.4737 0.4737 0.3486 ( 3078 PWs) bands (ev): -6.1382 -6.1379 -6.1344 -6.1339 -2.0867 -2.0755 -1.9388 -1.9131 -1.4583 -1.4472 -1.3110 -1.2805 -1.2789 -1.2612 -0.4269 -0.4156 -0.2023 -0.1857 -0.1380 -0.1372 0.1377 0.1698 0.2086 0.2180 0.8819 0.8972 2.1225 2.1314 3.0747 3.1006 3.1710 3.1762 3.3226 3.3447 3.4975 3.5003 11.0143 11.0146 11.2096 11.2183 11.2691 11.2757 11.7423 11.7502 k = 0.4649 0.4649 0.3486 ( 3078 PWs) bands (ev): -6.1420 -6.1417 -6.1356 -6.1349 -2.0887 -2.0737 -1.9445 -1.9105 -1.4605 -1.4461 -1.3180 -1.2841 -1.2756 -1.2586 -0.4289 -0.4139 -0.2069 -0.1856 -0.1375 -0.1359 0.1281 0.1701 0.2033 0.2155 0.8927 0.9122 2.1054 2.1168 3.0492 3.0747 3.1477 3.1507 3.3671 3.3911 3.5585 3.5618 10.9888 10.9895 11.1849 11.1954 11.2815 11.2884 11.7511 11.7611 k = 0.4561 0.4561 0.3486 ( 3078 PWs) bands (ev): -6.1468 -6.1464 -6.1370 -6.1361 -2.0907 -2.0720 -1.9506 -1.9085 -1.4628 -1.4453 -1.3253 -1.2878 -1.2731 -1.2561 -0.4310 -0.4124 -0.2118 -0.1863 -0.1369 -0.1343 0.1173 0.1679 0.1976 0.2130 0.9071 0.9302 2.0847 2.0986 3.0266 3.0514 3.1280 3.1296 3.4157 3.4405 3.6243 3.6278 10.9570 10.9585 11.1544 11.1669 11.2976 11.3046 11.7615 11.7734 k = 0.4474 0.4474 0.3486 ( 3078 PWs) bands (ev): -6.1527 -6.1523 -6.1386 -6.1376 -2.0928 -2.0704 -1.9570 -1.9071 -1.4651 -1.4448 -1.3329 -1.2914 -1.2712 -1.2540 -0.4332 -0.4110 -0.2170 -0.1878 -0.1363 -0.1325 0.1053 0.1630 0.1918 0.2110 0.9249 0.9509 2.0614 2.0773 3.0072 3.0312 3.1130 3.1134 3.4671 3.4924 3.6938 3.6973 10.9196 10.9219 11.1194 11.1343 11.3169 11.3239 11.7732 11.7867 k = 0.4386 0.4386 0.3486 ( 3066 PWs) bands (ev): -6.1597 -6.1592 -6.1406 -6.1393 -2.0948 -2.0687 -1.9636 -1.9062 -1.4671 -1.4445 -1.3408 -1.2950 -1.2702 -1.2520 -0.4354 -0.4097 -0.2225 -0.1898 -0.1355 -0.1308 0.0925 0.1553 0.1861 0.2098 0.9458 0.9742 2.0360 2.0537 2.9909 3.0141 3.1024 3.1028 3.5209 3.5463 3.7661 3.7695 10.8771 10.8802 11.0812 11.0984 11.3391 11.3462 11.7857 11.8006 k = 0.4298 0.4298 0.3486 ( 3070 PWs) bands (ev): -6.1676 -6.1670 -6.1428 -6.1413 -2.0970 -2.0673 -1.9705 -1.9060 -1.4692 -1.4446 -1.3491 -1.2986 -1.2700 -1.2504 -0.4378 -0.4088 -0.2285 -0.1924 -0.1347 -0.1293 0.0790 0.1456 0.1804 0.2089 0.9696 0.9997 2.0094 2.0285 2.9778 3.0003 3.0963 3.0974 3.5767 3.6019 3.8406 3.8437 10.8299 10.8339 11.0406 11.0603 11.3643 11.3715 11.7984 11.8146 k = 0.4211 0.4211 0.3486 ( 3074 PWs) bands (ev): -6.1765 -6.1759 -6.1452 -6.1437 -2.0993 -2.0660 -1.9775 -1.9064 -1.4713 -1.4451 -1.3575 -1.3023 -1.2707 -1.2492 -0.4403 -0.4082 -0.2348 -0.1954 -0.1338 -0.1284 0.0654 0.1344 0.1748 0.2081 0.9961 1.0274 1.9823 2.0027 2.9679 2.9897 3.0949 3.0964 3.6341 3.6591 3.9167 3.9195 10.7787 10.7836 10.9986 11.0207 11.3924 11.3996 11.8112 11.8286 k = 0.4123 0.4123 0.3486 ( 3078 PWs) bands (ev): -6.1863 -6.1857 -6.1480 -6.1463 -2.1017 -2.0648 -1.9847 -1.9074 -1.4732 -1.4459 -1.3662 -1.3058 -1.2721 -1.2483 -0.4429 -0.4080 -0.2416 -0.1987 -0.1327 -0.1282 0.0519 0.1222 0.1691 0.2069 1.0251 1.0571 1.9555 1.9768 2.9613 2.9823 3.0980 3.0997 3.6929 3.7174 3.9939 3.9961 10.7241 10.7298 10.9560 10.9803 11.4234 11.4307 11.8237 11.8421 k = 0.4035 0.4035 0.3486 ( 3078 PWs) bands (ev): -6.1970 -6.1963 -6.1510 -6.1491 -2.1041 -2.0638 -1.9920 -1.9089 -1.4748 -1.4471 -1.3750 -1.3093 -1.2744 -1.2480 -0.4456 -0.4082 -0.2489 -0.2022 -0.1313 -0.1288 0.0390 0.1096 0.1632 0.2052 1.0563 1.0887 1.9297 1.9517 2.9577 2.9782 3.1051 3.1069 3.7528 3.7766 4.0718 4.0734 10.6667 10.6732 10.9134 10.9399 11.4574 11.4647 11.8355 11.8551 k = 0.3947 0.3947 0.3486 ( 3072 PWs) bands (ev): -6.2086 -6.2079 -6.1543 -6.1523 -2.1066 -2.0629 -1.9994 -1.9110 -1.4762 -1.4484 -1.3839 -1.3128 -1.2774 -1.2480 -0.4485 -0.4090 -0.2567 -0.2058 -0.1305 -0.1296 0.0270 0.0968 0.1571 0.2026 1.0898 1.1221 1.9053 1.9280 2.9574 2.9773 3.1159 3.1177 3.8135 3.8364 4.1498 4.1506 10.6072 10.6145 10.8716 10.9001 11.4944 11.5016 11.8465 11.8671 k = 0.3860 0.3860 0.3486 ( 3072 PWs) bands (ev): -6.2209 -6.2202 -6.1578 -6.1557 -2.1093 -2.0623 -2.0068 -1.9137 -1.4775 -1.4502 -1.3930 -1.3162 -1.2812 -1.2486 -0.4515 -0.4103 -0.2651 -0.2095 -0.1335 -0.1277 0.0162 0.0842 0.1507 0.1991 1.1252 1.1571 1.8831 1.9061 2.9601 2.9796 3.1302 3.1318 3.8747 3.8966 4.2276 4.2276 10.5463 10.5543 10.8312 10.8613 11.5342 11.5415 11.8564 11.8781 k = 0.3772 0.3772 0.3486 ( 3066 PWs) bands (ev): -6.2340 -6.2333 -6.1616 -6.1594 -2.1120 -2.0618 -2.0142 -1.9170 -1.4784 -1.4521 -1.4021 -1.3197 -1.2858 -1.2497 -0.4546 -0.4122 -0.2739 -0.2133 -0.1376 -0.1254 0.0070 0.0718 0.1440 0.1945 1.1626 1.1938 1.8634 1.8866 2.9659 2.9851 3.1476 3.1490 3.9360 3.9568 4.3037 4.3046 10.4847 10.4932 10.7925 10.8241 11.5770 11.5842 11.8648 11.8877 k = 0.3684 0.3684 0.3486 ( 3066 PWs) bands (ev): -6.2479 -6.2472 -6.1657 -6.1633 -2.1150 -2.0617 -2.0216 -1.9208 -1.4792 -1.4544 -1.4112 -1.3232 -1.2912 -1.2514 -0.4579 -0.4148 -0.2833 -0.2171 -0.1431 -0.1229 -0.0008 0.0599 0.1367 0.1888 1.2017 1.2321 1.8465 1.8699 2.9747 2.9936 3.1680 3.1691 3.9973 4.0168 4.3787 4.3806 10.4229 10.4319 10.7561 10.7889 11.6225 11.6297 11.8715 11.8956 k = 0.3596 0.3596 0.3486 ( 3066 PWs) bands (ev): -6.2624 -6.2617 -6.1700 -6.1675 -2.1180 -2.0618 -2.0290 -1.9251 -1.4797 -1.4570 -1.4201 -1.3268 -1.2974 -1.2535 -0.4613 -0.4180 -0.2932 -0.2210 -0.1497 -0.1200 -0.0071 0.0485 0.1291 0.1820 1.2426 1.2719 1.8329 1.8563 2.9864 3.0051 3.1910 3.1918 4.0582 4.0762 4.4521 4.4550 10.3616 10.3710 10.7223 10.7561 11.6709 11.6778 11.8763 11.9016 k = 0.3509 0.3509 0.3486 ( 3064 PWs) bands (ev): -6.2775 -6.2768 -6.1746 -6.1720 -2.1212 -2.0622 -2.0363 -1.9299 -1.4799 -1.4600 -1.4288 -1.3303 -1.3044 -1.2562 -0.4648 -0.4219 -0.3033 -0.2249 -0.1571 -0.1168 -0.0120 0.0377 0.1210 0.1739 1.2851 1.3132 1.8228 1.8461 3.0010 3.0195 3.2166 3.2170 4.1185 4.1348 4.5235 4.5276 10.3013 10.3111 10.6914 10.7259 11.7218 11.7285 11.8791 11.9055 k = 0.3421 0.3421 0.3486 ( 3062 PWs) bands (ev): -6.2932 -6.2925 -6.1794 -6.1767 -2.1246 -2.0629 -2.0436 -1.9351 -1.4798 -1.4636 -1.4371 -1.3339 -1.3120 -1.2594 -0.4685 -0.4264 -0.3138 -0.2289 -0.1652 -0.1134 -0.0158 0.0275 0.1125 0.1648 1.3292 1.3560 1.8163 1.8394 3.0185 3.0368 3.2446 3.2446 4.1777 4.1923 4.5926 4.5979 10.2424 10.2525 10.6637 10.6987 11.7752 11.7813 11.8798 11.9070 k = 0.3333 0.3333 0.3486 ( 3062 PWs) bands (ev): -6.3094 -6.3088 -6.1844 -6.1817 -2.1281 -2.0640 -2.0507 -1.9407 -1.4795 -1.4681 -1.4445 -1.3376 -1.3205 -1.2631 -0.4722 -0.4313 -0.3244 -0.2330 -0.1737 -0.1098 -0.0186 0.0179 0.1036 0.1545 1.3749 1.4002 1.8135 1.8364 3.0387 3.0569 3.2743 3.2748 4.2357 4.2483 4.6590 4.6655 10.1855 10.1957 10.6393 10.6745 11.8308 11.8343 11.8799 11.9062 k = 0.3246 0.3246 0.3486 ( 3058 PWs) bands (ev): -6.3261 -6.3255 -6.1897 -6.1868 -2.1317 -2.0654 -2.0578 -1.9468 -1.4789 -1.4738 -1.4508 -1.3413 -1.3295 -1.2673 -0.4760 -0.4368 -0.3350 -0.2374 -0.1823 -0.1061 -0.0208 0.0089 0.0946 0.1432 1.4220 1.4458 1.8145 1.8371 3.0615 3.0797 3.3061 3.3071 4.2923 4.3027 4.7223 4.7300 10.1308 10.1412 10.6183 10.6534 11.8640 11.8867 11.9028 11.9045 k = 0.3158 0.3158 0.3486 ( 3062 PWs) bands (ev): -6.3432 -6.3426 -6.1951 -6.1922 -2.1356 -2.0673 -2.0647 -1.9533 -1.4806 -1.4781 -1.4559 -1.3451 -1.3392 -1.2720 -0.4799 -0.4426 -0.3456 -0.2421 -0.1908 -0.1023 -0.0224 0.0004 0.0854 0.1311 1.4706 1.4927 1.8193 1.8415 3.0869 3.1050 3.3398 3.3413 4.3470 4.3552 4.7822 4.7912 10.0788 10.0893 10.6007 10.6355 11.8600 11.8952 11.9493 11.9582 k = 0.3070 0.3070 0.3486 ( 3062 PWs) bands (ev): -6.3606 -6.3600 -6.2008 -6.1978 -2.1395 -2.0714 -2.0694 -1.9601 -1.4883 -1.4770 -1.4599 -1.3494 -1.3489 -1.2771 -0.4839 -0.4486 -0.3562 -0.2473 -0.1993 -0.0985 -0.0237 -0.0075 0.0763 0.1182 1.5205 1.5410 1.8278 1.8496 3.1147 3.1328 3.3753 3.3773 4.3997 4.4055 4.8383 4.8486 10.0298 10.0403 10.5864 10.6206 11.8504 11.8869 12.0095 12.0176 k = 0.2982 0.2982 0.3486 ( 3062 PWs) bands (ev): -6.3783 -6.3778 -6.2066 -6.2036 -2.1435 -2.0781 -2.0719 -1.9672 -1.4967 -1.4758 -1.4632 -1.3600 -1.3526 -1.2827 -0.4879 -0.4548 -0.3665 -0.2529 -0.2074 -0.0949 -0.0248 -0.0148 0.0674 0.1047 1.5717 1.5905 1.8401 1.8613 3.1449 3.1630 3.4126 3.4150 4.4502 4.4534 4.8904 4.9020 9.9839 9.9945 10.5752 10.6085 11.8380 11.8761 12.0703 12.0774 k = 0.2895 0.2895 0.3486 ( 3058 PWs) bands (ev): -6.3962 -6.3957 -6.2126 -6.2096 -2.1476 -2.0845 -2.0748 -1.9746 -1.5053 -1.4744 -1.4661 -1.3710 -1.3563 -1.2886 -0.4919 -0.4611 -0.3765 -0.2590 -0.2153 -0.0917 -0.0258 -0.0215 0.0587 0.0909 1.6241 1.6413 1.8560 1.8766 3.1774 3.1954 3.4514 3.4544 4.4983 4.4987 4.9382 4.9511 9.9416 9.9520 10.5667 10.5988 11.8236 11.8636 12.1302 12.1355 k = 0.2807 0.2807 0.3486 ( 3066 PWs) bands (ev): -6.4143 -6.4139 -6.2188 -6.2158 -2.1518 -2.0908 -2.0781 -1.9823 -1.5140 -1.4730 -1.4687 -1.3824 -1.3601 -1.2949 -0.4960 -0.4673 -0.3862 -0.2657 -0.2229 -0.0892 -0.0275 -0.0268 0.0506 0.0768 1.6778 1.6932 1.8754 1.8953 3.2121 3.2299 3.4918 3.4952 4.5414 4.5437 4.9813 4.9955 9.9027 9.9131 10.5605 10.5911 11.8079 11.8498 12.1867 12.1876 k = 0.2719 0.2719 0.3486 ( 3070 PWs) bands (ev): -6.4326 -6.4321 -6.2251 -6.2221 -2.1561 -2.0970 -2.0817 -1.9903 -1.5228 -1.4715 -1.4711 -1.3938 -1.3637 -1.3016 -0.5000 -0.4735 -0.3956 -0.2731 -0.2301 -0.0876 -0.0324 -0.0280 0.0431 0.0627 1.7326 1.7462 1.8981 1.9173 3.2488 3.2665 3.5334 3.5374 4.5812 4.5864 5.0196 5.0351 9.8676 9.8779 10.5557 10.5847 11.7915 11.8357 12.2230 12.2332 k = 0.2632 0.2632 0.3486 ( 3072 PWs) bands (ev): -6.4509 -6.4505 -6.2315 -6.2285 -2.1603 -2.1030 -2.0856 -1.9984 -1.5315 -1.4733 -1.4701 -1.4052 -1.3672 -1.3086 -0.5041 -0.4795 -0.4046 -0.2810 -0.2370 -0.0875 -0.0359 -0.0293 0.0364 0.0488 1.7884 1.8003 1.9241 1.9424 3.2874 3.3049 3.5764 3.5809 4.6180 4.6262 5.0530 5.0696 9.8363 9.8464 10.5517 10.5787 11.7754 11.8221 12.2275 12.2522 k = 0.2544 0.2544 0.3486 ( 3074 PWs) bands (ev): -6.4691 -6.4688 -6.2381 -6.2351 -2.1645 -2.1089 -2.0898 -2.0067 -1.5401 -1.4754 -1.4691 -1.4161 -1.3705 -1.3159 -0.5081 -0.4853 -0.4131 -0.2895 -0.2436 -0.0893 -0.0379 -0.0310 0.0306 0.0354 1.8451 1.8553 1.9532 1.9706 3.3277 3.3450 3.6204 3.6255 4.6518 4.6630 5.0812 5.0990 9.8088 9.8186 10.5474 10.5723 11.7608 11.8103 12.2040 12.2351 k = 0.2456 0.2456 0.3486 ( 3074 PWs) bands (ev): -6.4874 -6.4871 -6.2447 -6.2417 -2.1687 -2.1147 -2.0942 -2.0151 -1.5485 -1.4774 -1.4691 -1.4260 -1.3735 -1.3233 -0.5120 -0.4908 -0.4213 -0.2985 -0.2499 -0.0931 -0.0382 -0.0331 0.0225 0.0259 1.9028 1.9111 1.9853 2.0016 3.3697 3.3867 3.6655 3.6710 4.6825 4.6969 5.1043 5.1231 9.7850 9.7946 10.5417 10.5643 11.7486 11.8014 12.1606 12.1947 k = 0.2368 0.2368 0.3486 ( 3074 PWs) bands (ev): -6.5055 -6.5053 -6.2514 -6.2484 -2.1728 -2.1203 -2.0989 -2.0236 -1.5567 -1.4793 -1.4710 -1.4339 -1.3764 -1.3310 -0.5158 -0.4961 -0.4290 -0.3079 -0.2559 -0.0988 -0.0371 -0.0355 0.0105 0.0221 1.9612 1.9676 2.0203 2.0354 3.4132 3.4299 3.7114 3.7174 4.7102 4.7277 5.1221 5.1419 9.7648 9.7742 10.5335 10.5536 11.7400 11.7965 12.1006 12.1362 k = 0.2281 0.2281 0.3486 ( 3074 PWs) bands (ev): -6.5235 -6.5233 -6.2581 -6.2551 -2.1769 -2.1257 -2.1037 -2.0323 -1.5647 -1.4811 -1.4759 -1.4386 -1.3791 -1.3388 -0.5196 -0.5011 -0.4363 -0.3178 -0.2616 -0.1060 -0.0383 -0.0352 -0.0006 0.0192 2.0202 2.0244 2.0584 2.0718 3.4580 3.4742 3.7580 3.7645 4.7348 4.7555 5.1347 5.1554 9.7482 9.7573 10.5216 10.5391 11.7358 11.7966 12.0262 12.0622 k = 0.2193 0.2193 0.3486 ( 3070 PWs) bands (ev): -6.5413 -6.5411 -6.2648 -6.2619 -2.1808 -2.1311 -2.1087 -2.0409 -1.5724 -1.4836 -1.4830 -1.4402 -1.3814 -1.3467 -0.5232 -0.5058 -0.4432 -0.3279 -0.2669 -0.1144 -0.0415 -0.0331 -0.0103 0.0173 2.0794 2.0803 2.1004 2.1110 3.5039 3.5196 3.8051 3.8122 4.7565 4.7803 5.1423 5.1637 9.7349 9.7437 10.5050 10.5199 11.7365 11.8023 11.9402 11.9758 k = 0.2105 0.2105 0.3486 ( 3068 PWs) bands (ev): -6.5588 -6.5587 -6.2716 -6.2687 -2.1846 -2.1363 -2.1139 -2.0496 -1.5799 -1.4933 -1.4847 -1.4397 -1.3834 -1.3547 -0.5268 -0.5103 -0.4498 -0.3382 -0.2720 -0.1237 -0.0449 -0.0319 -0.0177 0.0160 2.1316 2.1375 2.1499 2.1542 3.5507 3.5658 3.8525 3.8602 4.7752 4.8022 5.1448 5.1669 9.7247 9.7332 10.4830 10.4955 11.7414 11.8131 11.8459 11.8805 k = 0.2018 0.2018 0.3486 ( 3060 PWs) bands (ev): -6.5760 -6.5759 -6.2783 -6.2755 -2.1882 -2.1413 -2.1191 -2.0583 -1.5870 -1.5038 -1.4865 -1.4380 -1.3852 -1.3627 -0.5301 -0.5144 -0.4560 -0.3487 -0.2767 -0.1335 -0.0484 -0.0345 -0.0203 0.0154 2.1786 2.1891 2.2063 2.2063 3.5983 3.6126 3.9001 3.9083 4.7913 4.8213 5.1426 5.1652 9.7173 9.7254 10.4552 10.4654 11.7454 11.7495 11.7793 11.8270 k = 0.1930 0.1930 0.3486 ( 3066 PWs) bands (ev): -6.5928 -6.5928 -6.2849 -6.2822 -2.1917 -2.1463 -2.1244 -2.0670 -1.5940 -1.5147 -1.4883 -1.4357 -1.3867 -1.3708 -0.5334 -0.5182 -0.4618 -0.3593 -0.2812 -0.1439 -0.0521 -0.0403 -0.0187 0.0152 2.2256 2.2358 2.2650 2.2655 3.6463 3.6597 3.9476 3.9563 4.8048 4.8378 5.1359 5.1589 9.7124 9.7201 10.4217 10.4298 11.6435 11.6751 11.7547 11.8383 k = 0.1842 0.1842 0.3486 ( 3066 PWs) bands (ev): -6.6092 -6.6092 -6.2915 -6.2889 -2.1950 -2.1511 -2.1298 -2.0757 -1.6006 -1.5256 -1.4900 -1.4331 -1.3879 -1.3788 -0.5364 -0.5218 -0.4674 -0.3699 -0.2854 -0.1545 -0.0557 -0.0466 -0.0159 0.0154 2.2738 2.2830 2.3244 2.3262 3.6945 3.7070 3.9947 4.0040 4.8158 4.8517 5.1250 5.1482 9.7097 9.7169 10.3828 10.3891 11.5399 11.5696 11.7520 11.8356 k = 0.1754 0.1754 0.3486 ( 3066 PWs) bands (ev): -6.6252 -6.6252 -6.2980 -6.2954 -2.1981 -2.1557 -2.1351 -2.0842 -1.6069 -1.5363 -1.4917 -1.4303 -1.3889 -1.3868 -0.5392 -0.5250 -0.4726 -0.3805 -0.2892 -0.1651 -0.0593 -0.0525 -0.0127 0.0159 2.3235 2.3314 2.3841 2.3871 3.7427 3.7541 4.0411 4.0510 4.8247 4.8633 5.1103 5.1335 9.7089 9.7155 10.3392 10.3438 11.4367 11.4645 11.7314 11.8018 k = 0.1667 0.1667 0.3486 ( 3066 PWs) bands (ev): -6.6407 -6.6407 -6.3044 -6.3019 -2.2010 -2.1602 -2.1404 -2.0926 -1.6129 -1.5468 -1.4934 -1.4274 -1.3946 -1.3896 -0.5419 -0.5280 -0.4776 -0.3909 -0.2928 -0.1756 -0.0628 -0.0581 -0.0095 0.0165 2.3745 2.3813 2.4437 2.4481 3.7905 3.8008 4.0866 4.0971 4.8316 4.8728 5.0922 5.1152 9.7096 9.7155 10.2915 10.2947 11.3351 11.3608 11.6859 11.7317 k = 0.1579 0.1579 0.3486 ( 3064 PWs) bands (ev): -6.6557 -6.6556 -6.3106 -6.3082 -2.2037 -2.1645 -2.1456 -2.1009 -1.6186 -1.5569 -1.4950 -1.4246 -1.4022 -1.3900 -0.5442 -0.5307 -0.4823 -0.4011 -0.2960 -0.1860 -0.0663 -0.0632 -0.0063 0.0173 2.4268 2.4323 2.5032 2.5088 3.8376 3.8466 4.1306 4.1418 4.8368 4.8804 5.0713 5.0939 9.7113 9.7164 10.2408 10.2427 11.2359 11.2595 11.6164 11.6379 k = 0.1491 0.1491 0.3486 ( 3068 PWs) bands (ev): -6.6701 -6.6700 -6.3166 -6.3143 -2.2062 -2.1687 -2.1508 -2.1091 -1.6239 -1.5667 -1.4965 -1.4220 -1.4094 -1.3903 -0.5464 -0.5332 -0.4867 -0.4112 -0.2989 -0.1960 -0.0696 -0.0679 -0.0032 0.0182 2.4802 2.4845 2.5622 2.5689 3.8837 3.8914 4.1727 4.1847 4.8405 4.8863 5.0481 5.0702 9.7138 9.7180 10.1879 10.1887 11.1399 11.1613 11.5303 11.5337 k = 0.1404 0.1404 0.3486 ( 3060 PWs) bands (ev): -6.6838 -6.6837 -6.3224 -6.3203 -2.2083 -2.1726 -2.1557 -2.1169 -1.6289 -1.5760 -1.4980 -1.4209 -1.4148 -1.3903 -0.5483 -0.5354 -0.4910 -0.4209 -0.3015 -0.2057 -0.0728 -0.0722 -0.0002 0.0191 2.5346 2.5376 2.6206 2.6283 3.9283 3.9346 4.2124 4.2252 4.8432 4.8908 5.0235 5.0447 9.7166 9.7199 10.1334 10.1336 11.0477 11.0667 11.4265 11.4351 k = 0.1316 0.1316 0.3486 ( 3064 PWs) bands (ev): -6.6970 -6.6969 -6.3280 -6.3260 -2.2103 -2.1764 -2.1606 -2.1246 -1.6335 -1.5848 -1.4993 -1.4256 -1.4144 -1.3903 -0.5499 -0.5373 -0.4951 -0.4304 -0.3038 -0.2151 -0.0762 -0.0759 0.0026 0.0201 2.5896 2.5914 2.6781 2.6868 3.9711 3.9760 4.2489 4.2626 4.8450 4.8941 4.9983 5.0182 9.7195 9.7217 10.0778 10.0787 10.9599 10.9765 11.3200 11.3363 k = 0.1228 0.1228 0.3486 ( 3064 PWs) bands (ev): -6.7094 -6.7093 -6.3334 -6.3315 -2.2120 -2.1799 -2.1653 -2.1321 -1.6378 -1.5932 -1.5005 -1.4321 -1.4121 -1.3901 -0.5512 -0.5390 -0.4989 -0.4397 -0.3058 -0.2240 -0.0798 -0.0789 0.0053 0.0210 2.6451 2.6458 2.7345 2.7440 4.0116 4.0152 4.2815 4.2962 4.8464 4.8964 4.9735 4.9918 9.7220 9.7230 10.0225 10.0241 10.8768 10.8910 11.2163 11.2373 k = 0.1140 0.1140 0.3486 ( 3064 PWs) bands (ev): -6.7211 -6.7210 -6.3385 -6.3367 -2.2135 -2.1832 -2.1697 -2.1393 -1.6417 -1.6011 -1.5016 -1.4386 -1.4095 -1.3898 -0.5522 -0.5404 -0.5026 -0.4486 -0.3074 -0.2324 -0.0831 -0.0817 0.0078 0.0219 2.7004 2.7008 2.7896 2.7998 4.0494 4.0517 4.3092 4.3250 4.8476 4.8976 4.9504 4.9666 9.7237 9.7240 9.9682 9.9703 10.7990 10.8107 11.1165 11.1403 k = 0.1053 0.1053 0.3486 ( 3064 PWs) bands (ev): -6.7321 -6.7319 -6.3433 -6.3416 -2.2147 -2.1863 -2.1740 -2.1462 -1.6453 -1.6085 -1.5026 -1.4449 -1.4070 -1.3895 -0.5529 -0.5417 -0.5062 -0.4571 -0.3088 -0.2404 -0.0861 -0.0843 0.0102 0.0228 2.7550 2.7565 2.8430 2.8537 4.0842 4.0853 4.3310 4.3480 4.8489 4.8976 4.9310 4.9439 9.7235 9.7250 9.9156 9.9181 10.7268 10.7360 11.0216 11.0467 k = 0.0965 0.0965 0.3486 ( 3068 PWs) bands (ev): -6.7423 -6.7421 -6.3478 -6.3463 -2.2156 -2.1892 -2.1781 -2.1528 -1.6485 -1.6154 -1.5033 -1.4509 -1.4046 -1.3891 -0.5533 -0.5427 -0.5095 -0.4653 -0.3099 -0.2479 -0.0889 -0.0869 0.0124 0.0236 2.8092 2.8117 2.8945 2.9056 4.1154 4.1156 4.3459 4.3641 4.8505 4.8947 4.9179 4.9249 9.7222 9.7249 9.8651 9.8681 10.6605 10.6673 10.9321 10.9575 k = 0.0877 0.0877 0.3486 ( 3060 PWs) bands (ev): -6.7516 -6.7515 -6.3520 -6.3506 -2.2162 -2.1918 -2.1818 -2.1591 -1.6513 -1.6217 -1.5039 -1.4566 -1.4023 -1.3886 -0.5534 -0.5434 -0.5127 -0.4732 -0.3106 -0.2549 -0.0913 -0.0892 0.0144 0.0243 2.8628 2.8661 2.9438 2.9550 4.1425 4.1430 4.3534 4.3725 4.8528 4.8886 4.9107 4.9130 9.7197 9.7235 9.8175 9.8206 10.6003 10.6050 10.8487 10.8736 k = 0.0789 0.0789 0.3486 ( 3056 PWs) bands (ev): -6.7602 -6.7601 -6.3558 -6.3545 -2.2165 -2.1940 -2.1853 -2.1650 -1.6537 -1.6275 -1.5042 -1.4621 -1.4001 -1.3882 -0.5531 -0.5439 -0.5157 -0.4806 -0.3111 -0.2614 -0.0935 -0.0913 0.0163 0.0250 2.9151 2.9192 2.9903 3.0015 4.1657 4.1667 4.3532 4.3729 4.8560 4.8833 4.9019 4.9126 9.7160 9.7208 9.7731 9.7762 10.5465 10.5491 10.7719 10.7956 k = 0.0702 0.0702 0.3486 ( 3052 PWs) bands (ev): -6.7679 -6.7678 -6.3593 -6.3581 -2.2165 -2.1960 -2.1886 -2.1706 -1.6557 -1.6328 -1.5044 -1.4672 -1.3981 -1.3879 -0.5525 -0.5442 -0.5185 -0.4877 -0.3112 -0.2675 -0.0955 -0.0933 0.0180 0.0255 2.9657 2.9704 3.0339 3.0447 4.1852 4.1864 4.3459 4.3658 4.8604 4.8814 4.8981 4.9138 9.7111 9.7163 9.7328 9.7355 10.4991 10.5000 10.7020 10.7241 k = 0.0614 0.0614 0.3486 ( 3052 PWs) bands (ev): -6.7748 -6.7747 -6.3623 -6.3613 -2.2163 -2.1977 -2.1916 -2.1758 -1.6575 -1.6377 -1.5043 -1.4719 -1.3963 -1.3876 -0.5515 -0.5443 -0.5212 -0.4944 -0.3110 -0.2731 -0.0971 -0.0951 0.0196 0.0260 3.0140 3.0191 3.0740 3.0843 4.2012 4.2024 4.3329 4.3523 4.8661 4.8833 4.8982 4.9157 9.6944 9.6975 9.7067 9.7129 10.4575 10.4580 10.6395 10.6596 k = 0.0526 0.0526 0.3486 ( 3052 PWs) bands (ev): -6.7807 -6.7806 -6.3650 -6.3641 -2.2158 -2.1991 -2.1944 -2.1806 -1.6588 -1.6421 -1.5040 -1.4764 -1.3946 -1.3873 -0.5503 -0.5443 -0.5237 -0.5007 -0.3105 -0.2783 -0.0986 -0.0967 0.0210 0.0264 3.0591 3.0644 3.1101 3.1196 4.2138 4.2148 4.3160 4.3342 4.8732 4.8879 4.9010 4.9177 9.6623 9.6653 9.7002 9.7066 10.4217 10.4231 10.5847 10.6025 k = 0.0439 0.0439 0.3486 ( 3044 PWs) bands (ev): -6.7858 -6.7857 -6.3673 -6.3666 -2.2149 -2.2002 -2.1968 -2.1850 -1.6596 -1.6458 -1.5033 -1.4805 -1.3931 -1.3871 -0.5487 -0.5440 -0.5258 -0.5066 -0.3097 -0.2831 -0.0997 -0.0981 0.0222 0.0267 3.1003 3.1054 3.1420 3.1504 4.2235 4.2240 4.2972 4.3137 4.8812 4.8942 4.9053 4.9196 9.6344 9.6370 9.6942 9.7003 10.3922 10.3943 10.5380 10.5532 k = 0.0351 0.0351 0.3486 ( 3042 PWs) bands (ev): -6.7900 -6.7899 -6.3692 -6.3686 -2.2138 -2.2009 -2.1991 -2.1890 -1.6602 -1.6492 -1.5024 -1.4842 -1.3917 -1.3870 -0.5470 -0.5435 -0.5277 -0.5120 -0.3086 -0.2874 -0.1006 -0.0993 0.0233 0.0268 3.1364 3.1410 3.1690 3.1761 4.2305 4.2306 4.2786 4.2929 4.8894 4.9010 4.9099 4.9209 9.6113 9.6135 9.6887 9.6941 10.3689 10.3711 10.4997 10.5121 k = 0.0263 0.0263 0.3486 ( 3046 PWs) bands (ev): -6.7932 -6.7932 -6.3706 -6.3702 -2.2125 -2.2013 -2.2013 -2.1926 -1.6603 -1.6522 -1.5013 -1.4877 -1.3905 -1.3871 -0.5451 -0.5430 -0.5292 -0.5170 -0.3072 -0.2914 -0.1013 -0.1003 0.0243 0.0269 3.1663 3.1702 3.1908 3.1964 4.2350 4.2354 4.2621 4.2738 4.8974 4.9074 4.9142 4.9215 9.5932 9.5949 9.6840 9.6884 10.3513 10.3533 10.4700 10.4795 k = 0.0175 0.0175 0.3486 ( 3038 PWs) bands (ev): -6.7956 -6.7955 -6.3716 -6.3713 -2.2108 -2.2032 -2.2011 -2.1955 -1.6599 -1.6546 -1.4998 -1.4908 -1.3895 -1.3872 -0.5433 -0.5424 -0.5299 -0.5214 -0.3054 -0.2949 -0.1017 -0.1010 0.0250 0.0268 3.1890 3.1918 3.2070 3.2108 4.2374 4.2384 4.2496 4.2583 4.9045 4.9127 4.9175 4.9211 9.5802 9.5814 9.6806 9.6837 10.3392 10.3407 10.4492 10.4555 k = 0.0088 0.0088 0.3486 ( 3030 PWs) bands (ev): -6.7969 -6.7969 -6.3722 -6.3721 -2.2090 -2.2051 -2.2006 -2.1978 -1.6592 -1.6565 -1.4980 -1.4935 -1.3886 -1.3874 -0.5421 -0.5419 -0.5296 -0.5251 -0.3033 -0.2980 -0.1019 -0.1015 0.0257 0.0266 3.2034 3.2049 3.2172 3.2192 4.2380 4.2387 4.2437 4.2483 4.9105 4.9159 4.9193 4.9199 9.5726 9.5732 9.6788 9.6804 10.3322 10.3330 10.4372 10.4404 k = 0.0000 0.0000 0.3486 ( 3022 PWs) bands (ev): -6.7974 -6.7974 -6.3723 -6.3723 -2.2070 -2.2070 -2.1995 -2.1995 -1.6580 -1.6580 -1.4958 -1.4958 -1.3879 -1.3879 -0.5416 -0.5416 -0.5280 -0.5280 -0.3008 -0.3008 -0.1018 -0.1018 0.0263 0.0263 3.2089 3.2089 3.2213 3.2213 4.2375 4.2375 4.2442 4.2442 4.9148 4.9148 4.9196 4.9196 9.5702 9.5702 9.6787 9.6787 10.3302 10.3302 10.4343 10.4343 k = 0.0000 0.5000-0.0000 ( 3076 PWs) bands (ev): -6.4109 -6.4109 -6.3065 -6.3065 -2.2004 -2.2004 -2.0039 -2.0039 -1.5900 -1.5900 -1.4372 -1.4372 -1.2865 -1.2865 -0.5083 -0.5083 -0.3333 -0.3333 -0.1924 -0.1924 -0.0110 -0.0110 0.0461 0.0461 1.7300 1.7300 2.2690 2.2690 3.1725 3.1725 3.7088 3.7088 4.6071 4.6071 5.1122 5.1122 9.9408 9.9408 10.2968 10.2968 11.5741 11.5741 11.8383 11.8383 k = 0.0000 0.5000 0.0124 ( 3072 PWs) bands (ev): -6.4109 -6.4109 -6.3064 -6.3064 -2.2003 -2.2003 -2.0037 -2.0037 -1.5899 -1.5899 -1.4370 -1.4370 -1.2865 -1.2865 -0.5082 -0.5082 -0.3332 -0.3332 -0.1922 -0.1922 -0.0109 -0.0109 0.0462 0.0462 1.7259 1.7259 2.2603 2.2603 3.1824 3.1824 3.7136 3.7136 4.6072 4.6072 5.1123 5.1123 9.9368 9.9368 10.2903 10.2903 11.5738 11.5738 11.8423 11.8423 k = 0.0000 0.5000 0.0249 ( 3068 PWs) bands (ev): -6.4108 -6.4108 -6.3063 -6.3063 -2.2002 -2.2002 -2.0032 -2.0032 -1.5897 -1.5897 -1.4365 -1.4365 -1.2864 -1.2864 -0.5078 -0.5078 -0.3327 -0.3327 -0.1917 -0.1917 -0.0105 -0.0105 0.0465 0.0465 1.7138 1.7138 2.2354 2.2354 3.2110 3.2110 3.7281 3.7281 4.6072 4.6072 5.1128 5.1128 9.9248 9.9248 10.2708 10.2708 11.5732 11.5732 11.8543 11.8543 k = 0.0000 0.5000 0.0373 ( 3074 PWs) bands (ev): -6.4108 -6.4108 -6.3060 -6.3060 -2.2000 -2.2000 -2.0025 -2.0025 -1.5894 -1.5894 -1.4358 -1.4358 -1.2863 -1.2863 -0.5072 -0.5072 -0.3320 -0.3320 -0.1909 -0.1909 -0.0099 -0.0099 0.0469 0.0469 1.6941 1.6941 2.1970 2.1970 3.2555 3.2555 3.7517 3.7517 4.6073 4.6073 5.1136 5.1136 9.9051 9.9051 10.2394 10.2394 11.5725 11.5725 11.8737 11.8737 k = 0.0000 0.5000 0.0498 ( 3074 PWs) bands (ev): -6.4108 -6.4108 -6.3056 -6.3056 -2.1997 -2.1997 -2.0015 -2.0015 -1.5890 -1.5890 -1.4347 -1.4347 -1.2861 -1.2861 -0.5064 -0.5064 -0.3310 -0.3310 -0.1898 -0.1898 -0.0090 -0.0090 0.0475 0.0475 1.6674 1.6674 2.1486 2.1486 3.3124 3.3124 3.7838 3.7838 4.6073 4.6073 5.1147 5.1147 9.8779 9.8779 10.1971 10.1971 11.5724 11.5724 11.8998 11.8998 k = 0.0000 0.5000 0.0622 ( 3062 PWs) bands (ev): -6.4108 -6.4108 -6.3050 -6.3050 -2.1992 -2.1992 -2.0001 -2.0001 -1.5883 -1.5883 -1.4333 -1.4333 -1.2858 -1.2858 -0.5053 -0.5053 -0.3297 -0.3297 -0.1882 -0.1882 -0.0079 -0.0079 0.0483 0.0483 1.6346 1.6346 2.0931 2.0931 3.3788 3.3788 3.8235 3.8235 4.6075 4.6075 5.1161 5.1161 9.8436 9.8436 10.1454 10.1454 11.5736 11.5736 11.9315 11.9315 k = 0.0000 0.5000 0.0747 ( 3074 PWs) bands (ev): -6.4107 -6.4107 -6.3044 -6.3044 -2.1989 -2.1989 -1.9987 -1.9987 -1.5878 -1.5878 -1.4317 -1.4317 -1.2856 -1.2856 -0.5041 -0.5041 -0.3282 -0.3282 -0.1865 -0.1865 -0.0066 -0.0066 0.0493 0.0493 1.5965 1.5965 2.0331 2.0331 3.4519 3.4519 3.8699 3.8699 4.6076 4.6076 5.1177 5.1177 9.8027 9.8027 10.0858 10.0858 11.5767 11.5767 11.9679 11.9679 k = 0.0000 0.5000 0.0871 ( 3076 PWs) bands (ev): -6.4107 -6.4107 -6.3037 -6.3037 -2.1984 -2.1984 -1.9970 -1.9970 -1.5871 -1.5871 -1.4299 -1.4299 -1.2853 -1.2853 -0.5027 -0.5027 -0.3264 -0.3264 -0.1844 -0.1844 -0.0050 -0.0050 0.0504 0.0504 1.5539 1.5539 1.9703 1.9703 3.5300 3.5300 3.9221 3.9221 4.6077 4.6077 5.1196 5.1196 9.7559 9.7559 10.0196 10.0196 11.5824 11.5824 12.0082 12.0082 k = 0.0000 0.5000 0.0996 ( 3076 PWs) bands (ev): -6.4106 -6.4106 -6.3029 -6.3029 -2.1979 -2.1979 -1.9951 -1.9951 -1.5862 -1.5862 -1.4278 -1.4278 -1.2848 -1.2848 -0.5010 -0.5010 -0.3243 -0.3243 -0.1820 -0.1820 -0.0033 -0.0033 0.0519 0.0519 1.5079 1.5079 1.9061 1.9061 3.6115 3.6115 3.9790 3.9790 4.6079 4.6079 5.1218 5.1218 9.7039 9.7039 9.9483 9.9483 11.5912 11.5912 12.0515 12.0515 k = 0.0000 0.5000 0.1120 ( 3076 PWs) bands (ev): -6.4106 -6.4106 -6.3021 -6.3021 -2.1973 -2.1973 -1.9930 -1.9930 -1.5852 -1.5852 -1.4255 -1.4255 -1.2843 -1.2843 -0.4992 -0.4992 -0.3219 -0.3219 -0.1793 -0.1793 -0.0014 -0.0014 0.0536 0.0536 1.4591 1.4591 1.8416 1.8416 3.6952 3.6952 4.0398 4.0398 4.6081 4.6081 5.1242 5.1242 9.6473 9.6473 9.8730 9.8730 11.6034 11.6034 12.0973 12.0973 k = 0.0000 0.5000 0.1245 ( 3072 PWs) bands (ev): -6.4105 -6.4105 -6.3011 -6.3011 -2.1966 -2.1966 -1.9908 -1.9908 -1.5841 -1.5841 -1.4230 -1.4230 -1.2836 -1.2836 -0.4972 -0.4972 -0.3193 -0.3193 -0.1762 -0.1762 0.0006 0.0006 0.0555 0.0555 1.4084 1.4084 1.7774 1.7774 3.7804 3.7804 4.1035 4.1035 4.6083 4.6083 5.1267 5.1267 9.5870 9.5870 9.7948 9.7948 11.6191 11.6191 12.1450 12.1450 k = 0.0000 0.5000 0.1369 ( 3060 PWs) bands (ev): -6.4105 -6.4105 -6.3001 -6.3001 -2.1958 -2.1958 -1.9884 -1.9884 -1.5829 -1.5829 -1.4203 -1.4203 -1.2828 -1.2828 -0.4950 -0.4950 -0.3164 -0.3164 -0.1729 -0.1729 0.0028 0.0028 0.0578 0.0578 1.3565 1.3565 1.7142 1.7142 3.8662 3.8662 4.1695 4.1695 4.6086 4.6086 5.1294 5.1294 9.5239 9.5239 9.7147 9.7147 11.6382 11.6382 12.1943 12.1943 k = 0.0000 0.5000 0.1494 ( 3056 PWs) bands (ev): -6.4104 -6.4104 -6.2991 -6.2991 -2.1951 -2.1951 -1.9860 -1.9860 -1.5817 -1.5817 -1.4176 -1.4176 -1.2819 -1.2819 -0.4927 -0.4927 -0.3133 -0.3133 -0.1693 -0.1693 0.0051 0.0051 0.0604 0.0604 1.3038 1.3038 1.6524 1.6524 3.9520 3.9520 4.2368 4.2368 4.6089 4.6089 5.1322 5.1322 9.4586 9.4586 9.6335 9.6335 11.6607 11.6607 12.2449 12.2449 k = 0.0000 0.5000 0.1618 ( 3056 PWs) bands (ev): -6.4103 -6.4103 -6.2980 -6.2980 -2.1943 -2.1943 -1.9836 -1.9836 -1.5804 -1.5804 -1.4149 -1.4149 -1.2809 -1.2809 -0.4903 -0.4903 -0.3100 -0.3100 -0.1654 -0.1654 0.0073 0.0073 0.0633 0.0633 1.2512 1.2512 1.5925 1.5925 4.0370 4.0370 4.3048 4.3048 4.6091 4.6091 5.1351 5.1351 9.3921 9.3921 9.5521 9.5521 11.6862 11.6862 12.2966 12.2966 k = 0.0000 0.5000 0.1743 ( 3052 PWs) bands (ev): -6.4102 -6.4102 -6.2970 -6.2970 -2.1936 -2.1936 -1.9811 -1.9811 -1.5791 -1.5791 -1.4121 -1.4121 -1.2797 -1.2797 -0.4879 -0.4879 -0.3065 -0.3065 -0.1613 -0.1613 0.0096 0.0096 0.0666 0.0666 1.1989 1.1989 1.5346 1.5346 4.1209 4.1209 4.3727 4.3727 4.6095 4.6095 5.1380 5.1380 9.3250 9.3250 9.4712 9.4712 11.7145 11.7145 12.3491 12.3491 k = 0.0000 0.5000 0.1867 ( 3046 PWs) bands (ev): -6.4102 -6.4102 -6.2959 -6.2959 -2.1928 -2.1928 -1.9787 -1.9787 -1.5777 -1.5777 -1.4093 -1.4093 -1.2784 -1.2784 -0.4854 -0.4854 -0.3029 -0.3029 -0.1569 -0.1569 0.0119 0.0119 0.0702 0.0702 1.1476 1.1476 1.4793 1.4793 4.2029 4.2029 4.4399 4.4399 4.6099 4.6099 5.1410 5.1410 9.2582 9.2582 9.3915 9.3915 11.7452 11.7452 12.4022 12.4022 k = 0.0000 0.5000 0.1992 ( 3050 PWs) bands (ev): -6.4101 -6.4101 -6.2948 -6.2948 -2.1920 -2.1920 -1.9764 -1.9764 -1.5764 -1.5764 -1.4067 -1.4067 -1.2770 -1.2770 -0.4829 -0.4829 -0.2991 -0.2991 -0.1523 -0.1523 0.0142 0.0142 0.0741 0.0741 1.0976 1.0976 1.4266 1.4266 4.2825 4.2825 4.5055 4.5055 4.6106 4.6106 5.1440 5.1440 9.1924 9.1924 9.3137 9.3137 11.7779 11.7779 12.4555 12.4555 k = 0.0000 0.5000 0.2116 ( 3048 PWs) bands (ev): -6.4100 -6.4100 -6.2938 -6.2938 -2.1913 -2.1913 -1.9742 -1.9742 -1.5751 -1.5751 -1.4042 -1.4042 -1.2755 -1.2755 -0.4804 -0.4804 -0.2954 -0.2954 -0.1476 -0.1476 0.0164 0.0164 0.0783 0.0783 1.0495 1.0495 1.3768 1.3768 4.3591 4.3591 4.5678 4.5678 4.6125 4.6125 5.1468 5.1468 9.1283 9.1283 9.2384 9.2384 11.8118 11.8118 12.5087 12.5087 k = 0.0000 0.5000 0.2241 ( 3050 PWs) bands (ev): -6.4100 -6.4100 -6.2928 -6.2928 -2.1906 -2.1906 -1.9721 -1.9721 -1.5738 -1.5738 -1.4017 -1.4017 -1.2741 -1.2741 -0.4780 -0.4780 -0.2916 -0.2916 -0.1428 -0.1428 0.0185 0.0185 0.0828 0.0828 1.0035 1.0035 1.3303 1.3303 4.4321 4.4321 4.6057 4.6057 4.6364 4.6364 5.1496 5.1496 9.0666 9.0666 9.1665 9.1665 11.8466 11.8466 12.5612 12.5612 k = 0.0000 0.5000 0.2365 ( 3064 PWs) bands (ev): -6.4099 -6.4099 -6.2919 -6.2919 -2.1901 -2.1901 -1.9702 -1.9702 -1.5727 -1.5727 -1.3996 -1.3996 -1.2725 -1.2725 -0.4758 -0.4758 -0.2879 -0.2879 -0.1379 -0.1379 0.0205 0.0205 0.0874 0.0874 0.9601 0.9601 1.2872 1.2872 4.5007 4.5007 4.6091 4.6091 4.6916 4.6916 5.1523 5.1523 9.0081 9.0081 9.0985 9.0985 11.8816 11.8816 12.6120 12.6120 k = 0.0000 0.5000 0.2490 ( 3060 PWs) bands (ev): -6.4099 -6.4099 -6.2910 -6.2910 -2.1895 -2.1895 -1.9683 -1.9683 -1.5715 -1.5715 -1.3976 -1.3976 -1.2708 -1.2708 -0.4736 -0.4736 -0.2843 -0.2843 -0.1330 -0.1330 0.0224 0.0224 0.0920 0.0920 0.9197 0.9197 1.2477 1.2477 4.5638 4.5638 4.6107 4.6107 4.7452 4.7452 5.1548 5.1548 8.9534 8.9534 9.0352 9.0352 11.9160 11.9160 12.6599 12.6599 k = 0.0000 0.5000 0.2614 ( 3052 PWs) bands (ev): -6.4098 -6.4098 -6.2902 -6.2902 -2.1889 -2.1889 -1.9666 -1.9666 -1.5704 -1.5704 -1.3957 -1.3957 -1.2691 -1.2691 -0.4716 -0.4716 -0.2809 -0.2809 -0.1281 -0.1281 0.0243 0.0243 0.0967 0.0967 0.8827 0.8827 1.2121 1.2121 4.6056 4.6056 4.6278 4.6278 4.7947 4.7947 5.1572 5.1572 8.9032 8.9032 8.9772 8.9772 11.9491 11.9491 12.7001 12.7001 k = 0.0000 0.5000 0.2739 ( 3048 PWs) bands (ev): -6.4098 -6.4098 -6.2895 -6.2895 -2.1884 -2.1884 -1.9651 -1.9651 -1.5694 -1.5694 -1.3941 -1.3941 -1.2676 -1.2676 -0.4698 -0.4698 -0.2778 -0.2778 -0.1236 -0.1236 0.0260 0.0260 0.1011 0.1011 0.8496 0.8496 1.1807 1.1807 4.6088 4.6088 4.6774 4.6774 4.8392 4.8392 5.1593 5.1593 8.8581 8.8581 8.9252 8.9252 11.9801 11.9801 12.6991 12.6991 k = 0.0000 0.5000 0.2863 ( 3044 PWs) bands (ev): -6.4097 -6.4097 -6.2888 -6.2888 -2.1880 -2.1880 -1.9638 -1.9638 -1.5685 -1.5685 -1.3927 -1.3927 -1.2662 -1.2662 -0.4683 -0.4683 -0.2750 -0.2750 -0.1194 -0.1194 0.0276 0.0276 0.1052 0.1052 0.8206 0.8206 1.1536 1.1536 4.6094 4.6094 4.7225 4.7225 4.8780 4.8780 5.1612 5.1612 8.8188 8.8188 8.8798 8.8798 12.0081 12.0081 12.6865 12.6865 k = 0.0000 0.5000 0.2988 ( 3044 PWs) bands (ev): -6.4097 -6.4097 -6.2883 -6.2883 -2.1876 -2.1876 -1.9628 -1.9628 -1.5678 -1.5678 -1.3916 -1.3916 -1.2650 -1.2650 -0.4669 -0.4669 -0.2727 -0.2727 -0.1156 -0.1156 0.0289 0.0289 0.1087 0.1087 0.7963 0.7963 1.1311 1.1311 4.6097 4.6097 4.7606 4.7606 4.9106 4.9106 5.1628 5.1628 8.7857 8.7857 8.8417 8.8417 12.0325 12.0325 12.6756 12.6756 k = 0.0000 0.5000 0.3112 ( 3042 PWs) bands (ev): -6.4097 -6.4097 -6.2879 -6.2879 -2.1873 -2.1873 -1.9620 -1.9620 -1.5672 -1.5672 -1.3908 -1.3908 -1.2639 -1.2639 -0.4659 -0.4659 -0.2708 -0.2708 -0.1126 -0.1126 0.0301 0.0301 0.1117 0.1117 0.7769 0.7769 1.1134 1.1134 4.6099 4.6099 4.7909 4.7909 4.9364 4.9364 5.1641 5.1641 8.7595 8.7595 8.8115 8.8115 12.0523 12.0523 12.6670 12.6670 k = 0.0000 0.5000 0.3237 ( 3042 PWs) bands (ev): -6.4096 -6.4096 -6.2876 -6.2876 -2.1871 -2.1871 -1.9614 -1.9614 -1.5668 -1.5668 -1.3902 -1.3902 -1.2632 -1.2632 -0.4651 -0.4651 -0.2694 -0.2694 -0.1103 -0.1103 0.0309 0.0309 0.1139 0.1139 0.7628 0.7628 1.1006 1.1006 4.6100 4.6100 4.8129 4.8129 4.9552 4.9552 5.1651 5.1651 8.7405 8.7405 8.7895 8.7895 12.0670 12.0670 12.6609 12.6609 k = 0.0000 0.5000 0.3361 ( 3044 PWs) bands (ev): -6.4096 -6.4096 -6.2874 -6.2874 -2.1870 -2.1870 -1.9610 -1.9610 -1.5665 -1.5665 -1.3899 -1.3899 -1.2627 -1.2627 -0.4647 -0.4647 -0.2686 -0.2686 -0.1088 -0.1088 0.0314 0.0314 0.1153 0.1153 0.7542 0.7542 1.0929 1.0929 4.6101 4.6101 4.8262 4.8262 4.9666 4.9666 5.1657 5.1657 8.7289 8.7289 8.7762 8.7762 12.0760 12.0760 12.6571 12.6571 k = 0.0000 0.5000 0.3486 ( 3044 PWs) bands (ev): -6.4096 -6.4096 -6.2874 -6.2874 -2.1870 -2.1870 -1.9609 -1.9609 -1.5664 -1.5664 -1.3898 -1.3898 -1.2626 -1.2626 -0.4645 -0.4645 -0.2683 -0.2683 -0.1083 -0.1083 0.0316 0.0316 0.1157 0.1157 0.7514 0.7514 1.0903 1.0903 4.6101 4.6101 4.8306 4.8306 4.9704 4.9704 5.1659 5.1659 8.7251 8.7251 8.7717 8.7717 12.0791 12.0791 12.6559 12.6559 k = 0.5000 0.5000-0.0000 ( 3104 PWs) bands (ev): -6.1323 -6.1323 -6.1277 -6.1277 -2.1027 -2.1027 -1.9594 -1.9594 -1.4741 -1.4741 -1.3356 -1.3356 -1.2872 -1.2872 -0.4412 -0.4412 -0.2177 -0.2177 -0.1614 -0.1614 0.1191 0.1191 0.1389 0.1389 0.9190 0.9190 1.9464 1.9464 3.5697 3.5697 3.6770 3.6770 3.6951 3.6951 3.8237 3.8237 9.1368 9.1368 9.1912 9.1912 9.4970 9.4970 10.3225 10.3225 k = 0.5000 0.5000 0.0124 ( 3108 PWs) bands (ev): -6.1323 -6.1323 -6.1277 -6.1277 -2.1027 -2.1027 -1.9593 -1.9593 -1.4740 -1.4740 -1.3355 -1.3355 -1.2872 -1.2872 -0.4411 -0.4411 -0.2176 -0.2176 -0.1613 -0.1613 0.1191 0.1191 0.1391 0.1391 0.9188 0.9188 1.9468 1.9468 3.5690 3.5690 3.6752 3.6752 3.6938 3.6938 3.8217 3.8217 9.1412 9.1412 9.1956 9.1956 9.5009 9.5009 10.3256 10.3256 k = 0.5000 0.5000 0.0249 ( 3092 PWs) bands (ev): -6.1323 -6.1323 -6.1278 -6.1278 -2.1024 -2.1024 -1.9589 -1.9589 -1.4738 -1.4738 -1.3351 -1.3351 -1.2868 -1.2868 -0.4409 -0.4409 -0.2174 -0.2174 -0.1611 -0.1611 0.1195 0.1195 0.1398 0.1398 0.9184 0.9184 1.9481 1.9481 3.5671 3.5671 3.6701 3.6701 3.6898 3.6898 3.8156 3.8156 9.1541 9.1541 9.2087 9.2087 9.5129 9.5129 10.3349 10.3349 k = 0.5000 0.5000 0.0373 ( 3088 PWs) bands (ev): -6.1324 -6.1324 -6.1278 -6.1278 -2.1020 -2.1020 -1.9582 -1.9582 -1.4735 -1.4735 -1.3344 -1.3344 -1.2865 -1.2865 -0.4406 -0.4406 -0.2170 -0.2170 -0.1607 -0.1607 0.1200 0.1200 0.1410 0.1410 0.9177 0.9177 1.9503 1.9503 3.5640 3.5640 3.6616 3.6616 3.6831 3.6831 3.8054 3.8054 9.1756 9.1756 9.2304 9.2304 9.5327 9.5327 10.3503 10.3503 k = 0.5000 0.5000 0.0498 ( 3088 PWs) bands (ev): -6.1324 -6.1324 -6.1279 -6.1279 -2.1016 -2.1016 -1.9575 -1.9575 -1.4730 -1.4730 -1.3335 -1.3335 -1.2860 -1.2860 -0.4402 -0.4402 -0.2164 -0.2164 -0.1602 -0.1602 0.1207 0.1207 0.1426 0.1426 0.9168 0.9168 1.9534 1.9534 3.5596 3.5596 3.6501 3.6501 3.6738 3.6738 3.7915 3.7915 9.2056 9.2056 9.2607 9.2607 9.5601 9.5601 10.3717 10.3717 k = 0.5000 0.5000 0.0622 ( 3084 PWs) bands (ev): -6.1325 -6.1325 -6.1280 -6.1280 -2.1010 -2.1010 -1.9564 -1.9564 -1.4725 -1.4725 -1.3324 -1.3324 -1.2854 -1.2854 -0.4397 -0.4397 -0.2157 -0.2157 -0.1595 -0.1595 0.1216 0.1216 0.1446 0.1446 0.9156 0.9156 1.9573 1.9573 3.5542 3.5542 3.6357 3.6357 3.6620 3.6620 3.7739 3.7739 9.2438 9.2438 9.2993 9.2993 9.5949 9.5949 10.3991 10.3991 k = 0.5000 0.5000 0.0747 ( 3084 PWs) bands (ev): -6.1325 -6.1325 -6.1282 -6.1282 -2.1003 -2.1003 -1.9553 -1.9553 -1.4718 -1.4718 -1.3311 -1.3311 -1.2848 -1.2848 -0.4390 -0.4390 -0.2149 -0.2149 -0.1587 -0.1587 0.1227 0.1227 0.1470 0.1470 0.9142 0.9142 1.9620 1.9620 3.5476 3.5476 3.6188 3.6188 3.6478 3.6478 3.7528 3.7528 9.2900 9.2900 9.3459 9.3459 9.6369 9.6369 10.4322 10.4322 k = 0.5000 0.5000 0.0871 ( 3092 PWs) bands (ev): -6.1326 -6.1326 -6.1283 -6.1283 -2.0995 -2.0995 -1.9540 -1.9540 -1.4711 -1.4711 -1.3296 -1.3296 -1.2841 -1.2841 -0.4383 -0.4383 -0.2140 -0.2140 -0.1578 -0.1578 0.1239 0.1239 0.1498 0.1498 0.9125 0.9125 1.9676 1.9676 3.5401 3.5401 3.5996 3.5996 3.6313 3.6313 3.7287 3.7287 9.3441 9.3441 9.4004 9.4004 9.6855 9.6855 10.4710 10.4710 k = 0.5000 0.5000 0.0996 ( 3100 PWs) bands (ev): -6.1327 -6.1327 -6.1285 -6.1285 -2.0986 -2.0986 -1.9527 -1.9527 -1.4703 -1.4703 -1.3281 -1.3281 -1.2832 -1.2832 -0.4375 -0.4375 -0.2130 -0.2130 -0.1568 -0.1568 0.1253 0.1253 0.1529 0.1529 0.9106 0.9106 1.9739 1.9739 3.5317 3.5317 3.5785 3.5785 3.6130 3.6130 3.7018 3.7018 9.4056 9.4056 9.4623 9.4623 9.7405 9.7405 10.5152 10.5152 k = 0.5000 0.5000 0.1120 ( 3100 PWs) bands (ev): -6.1328 -6.1328 -6.1287 -6.1287 -2.0976 -2.0976 -1.9510 -1.9510 -1.4693 -1.4693 -1.3263 -1.3263 -1.2823 -1.2823 -0.4366 -0.4366 -0.2118 -0.2118 -0.1557 -0.1557 0.1269 0.1269 0.1564 0.1564 0.9086 0.9086 1.9811 1.9811 3.5225 3.5225 3.5557 3.5557 3.5930 3.5930 3.6724 3.6724 9.4744 9.4744 9.5314 9.5314 9.8014 9.8014 10.5646 10.5646 k = 0.5000 0.5000 0.1245 ( 3100 PWs) bands (ev): -6.1329 -6.1329 -6.1289 -6.1289 -2.0966 -2.0966 -1.9493 -1.9493 -1.4683 -1.4683 -1.3243 -1.3243 -1.2814 -1.2814 -0.4357 -0.4357 -0.2105 -0.2105 -0.1545 -0.1545 0.1286 0.1286 0.1602 0.1602 0.9063 0.9063 1.9891 1.9891 3.5125 3.5125 3.5317 3.5317 3.5716 3.5716 3.6409 3.6409 9.5500 9.5500 9.6073 9.6073 9.8675 9.8675 10.6188 10.6188 k = 0.5000 0.5000 0.1369 ( 3100 PWs) bands (ev): -6.1330 -6.1330 -6.1291 -6.1291 -2.0954 -2.0954 -1.9475 -1.9475 -1.4672 -1.4672 -1.3222 -1.3222 -1.2804 -1.2804 -0.4346 -0.4346 -0.2092 -0.2092 -0.1533 -0.1533 0.1305 0.1305 0.1642 0.1642 0.9040 0.9040 1.9977 1.9977 3.5014 3.5014 3.5072 3.5072 3.5494 3.5494 3.6078 3.6078 9.6322 9.6322 9.6896 9.6896 9.9385 9.9385 10.6776 10.6776 k = 0.5000 0.5000 0.1494 ( 3100 PWs) bands (ev): -6.1330 -6.1330 -6.1294 -6.1294 -2.0943 -2.0943 -1.9456 -1.9456 -1.4660 -1.4660 -1.3200 -1.3200 -1.2794 -1.2794 -0.4336 -0.4336 -0.2078 -0.2078 -0.1520 -0.1520 0.1325 0.1325 0.1684 0.1684 0.9015 0.9015 2.0070 2.0070 3.4801 3.4801 3.4914 3.4914 3.5266 3.5266 3.5734 3.5734 9.7204 9.7204 9.7778 9.7778 10.0137 10.0137 10.7407 10.7407 k = 0.5000 0.5000 0.1618 ( 3092 PWs) bands (ev): -6.1331 -6.1331 -6.1296 -6.1296 -2.0930 -2.0930 -1.9436 -1.9436 -1.4648 -1.4648 -1.3176 -1.3176 -1.2782 -1.2782 -0.4325 -0.4325 -0.2064 -0.2064 -0.1507 -0.1507 0.1347 0.1347 0.1728 0.1728 0.8990 0.8990 2.0170 2.0170 3.4541 3.4541 3.4788 3.4788 3.5043 3.5043 3.5382 3.5382 9.8143 9.8143 9.8715 9.8715 10.0924 10.0924 10.8077 10.8077 k = 0.5000 0.5000 0.1743 ( 3084 PWs) bands (ev): -6.1332 -6.1332 -6.1298 -6.1298 -2.0918 -2.0918 -1.9415 -1.9415 -1.4635 -1.4635 -1.3152 -1.3152 -1.2772 -1.2772 -0.4313 -0.4313 -0.2049 -0.2049 -0.1494 -0.1494 0.1369 0.1369 0.1772 0.1772 0.8964 0.8964 2.0275 2.0275 3.4278 3.4278 3.4638 3.4638 3.4841 3.4841 3.5029 3.5029 9.9134 9.9134 9.9702 9.9702 10.1740 10.1740 10.8781 10.8781 k = 0.5000 0.5000 0.1867 ( 3084 PWs) bands (ev): -6.1333 -6.1333 -6.1301 -6.1301 -2.0906 -2.0906 -1.9395 -1.9395 -1.4623 -1.4623 -1.3128 -1.3128 -1.2763 -1.2763 -0.4302 -0.4302 -0.2034 -0.2034 -0.1482 -0.1482 0.1392 0.1392 0.1818 0.1818 0.8938 0.8938 2.0384 2.0384 3.4016 3.4016 3.4446 3.4446 3.4650 3.4650 3.4709 3.4709 10.0171 10.0171 10.0734 10.0734 10.2578 10.2578 10.9514 10.9514 k = 0.5000 0.5000 0.1992 ( 3064 PWs) bands (ev): -6.1334 -6.1334 -6.1303 -6.1303 -2.0893 -2.0893 -1.9373 -1.9373 -1.4610 -1.4610 -1.3103 -1.3103 -1.2752 -1.2752 -0.4290 -0.4290 -0.2018 -0.2018 -0.1469 -0.1469 0.1415 0.1415 0.1863 0.1863 0.8912 0.8912 2.0497 2.0497 3.3758 3.3758 3.4214 3.4214 3.4335 3.4335 3.4564 3.4564 10.1251 10.1251 10.1806 10.1806 10.3429 10.3429 11.0272 11.0272 k = 0.5000 0.5000 0.2116 ( 3064 PWs) bands (ev): -6.1335 -6.1335 -6.1306 -6.1306 -2.0881 -2.0881 -1.9354 -1.9354 -1.4598 -1.4598 -1.3080 -1.3080 -1.2743 -1.2743 -0.4279 -0.4279 -0.2004 -0.2004 -0.1458 -0.1458 0.1438 0.1438 0.1908 0.1908 0.8886 0.8886 2.0613 2.0613 3.3503 3.3503 3.3931 3.3931 3.4060 3.4060 3.4452 3.4452 10.2365 10.2365 10.2909 10.2909 10.4284 10.4284 11.1047 11.1047 k = 0.5000 0.5000 0.2241 ( 3048 PWs) bands (ev): -6.1335 -6.1335 -6.1308 -6.1308 -2.0869 -2.0869 -1.9336 -1.9336 -1.4584 -1.4584 -1.3056 -1.3056 -1.2734 -1.2734 -0.4268 -0.4268 -0.1989 -0.1989 -0.1446 -0.1446 0.1461 0.1461 0.1952 0.1952 0.8862 0.8862 2.0729 2.0729 3.3254 3.3254 3.3622 3.3622 3.3833 3.3833 3.4350 3.4350 10.3506 10.3506 10.4036 10.4036 10.5135 10.5135 11.1832 11.1832 k = 0.5000 0.5000 0.2365 ( 3056 PWs) bands (ev): -6.1336 -6.1336 -6.1310 -6.1310 -2.0858 -2.0858 -1.9320 -1.9320 -1.4573 -1.4573 -1.3036 -1.3036 -1.2727 -1.2727 -0.4258 -0.4258 -0.1976 -0.1976 -0.1435 -0.1435 0.1482 0.1482 0.1993 0.1993 0.8838 0.8838 2.0844 2.0844 3.3007 3.3007 3.3330 3.3330 3.3627 3.3627 3.4257 3.4257 10.4666 10.4666 10.5179 10.5179 10.5970 10.5970 11.2619 11.2619 k = 0.5000 0.5000 0.2490 ( 3080 PWs) bands (ev): -6.1336 -6.1336 -6.1313 -6.1313 -2.0851 -2.0851 -1.9305 -1.9305 -1.4564 -1.4564 -1.3017 -1.3017 -1.2722 -1.2722 -0.4250 -0.4250 -0.1965 -0.1965 -0.1427 -0.1427 0.1502 0.1502 0.2031 0.2031 0.8816 0.8816 2.0956 2.0956 3.2760 3.2760 3.3070 3.3070 3.3436 3.3436 3.4171 3.4171 10.5832 10.5832 10.6324 10.6324 10.6779 10.6779 11.3396 11.3396 k = 0.5000 0.5000 0.2614 ( 3080 PWs) bands (ev): -6.1337 -6.1337 -6.1315 -6.1315 -2.0841 -2.0841 -1.9291 -1.9291 -1.4555 -1.4555 -1.2998 -1.2998 -1.2716 -1.2716 -0.4241 -0.4241 -0.1953 -0.1953 -0.1418 -0.1418 0.1522 0.1522 0.2067 0.2067 0.8796 0.8796 2.1064 2.1064 3.2516 3.2516 3.2847 3.2847 3.3263 3.3263 3.4094 3.4094 10.6988 10.6988 10.7447 10.7447 10.7561 10.7561 11.4153 11.4153 k = 0.5000 0.5000 0.2739 ( 3100 PWs) bands (ev): -6.1337 -6.1337 -6.1317 -6.1317 -2.0835 -2.0835 -1.9279 -1.9279 -1.4547 -1.4547 -1.2982 -1.2982 -1.2714 -1.2714 -0.4234 -0.4234 -0.1943 -0.1943 -0.1411 -0.1411 0.1538 0.1538 0.2099 0.2099 0.8778 0.8778 2.1164 2.1164 3.2283 3.2283 3.2661 3.2661 3.3110 3.3110 3.4025 3.4025 10.8090 10.8090 10.8284 10.8284 10.8572 10.8572 11.4873 11.4873 k = 0.5000 0.5000 0.2863 ( 3100 PWs) bands (ev): -6.1337 -6.1337 -6.1319 -6.1319 -2.0828 -2.0828 -1.9267 -1.9267 -1.4539 -1.4539 -1.2966 -1.2966 -1.2710 -1.2710 -0.4227 -0.4227 -0.1934 -0.1934 -0.1405 -0.1405 0.1554 0.1554 0.2127 0.2127 0.8762 0.8762 2.1255 2.1255 3.2072 3.2072 3.2506 3.2506 3.2976 3.2976 3.3966 3.3966 10.8859 10.8859 10.9242 10.9242 10.9619 10.9619 11.5540 11.5540 k = 0.5000 0.5000 0.2988 ( 3096 PWs) bands (ev): -6.1338 -6.1338 -6.1321 -6.1321 -2.0822 -2.0822 -1.9257 -1.9257 -1.4533 -1.4533 -1.2952 -1.2952 -1.2707 -1.2707 -0.4221 -0.4221 -0.1926 -0.1926 -0.1399 -0.1399 0.1567 0.1567 0.2151 0.2151 0.8749 0.8749 2.1334 2.1334 3.1890 3.1890 3.2380 3.2380 3.2866 3.2866 3.3917 3.3917 10.9422 10.9422 11.0233 11.0233 11.0580 11.0580 11.6133 11.6133 k = 0.5000 0.5000 0.3112 ( 3088 PWs) bands (ev): -6.1337 -6.1337 -6.1322 -6.1322 -2.0817 -2.0817 -1.9249 -1.9249 -1.4528 -1.4528 -1.2941 -1.2941 -1.2705 -1.2705 -0.4217 -0.4217 -0.1919 -0.1919 -0.1395 -0.1395 0.1578 0.1578 0.2170 0.2170 0.8739 0.8739 2.1398 2.1398 3.1743 3.1743 3.2283 3.2283 3.2778 3.2778 3.3878 3.3878 10.9876 10.9876 11.1103 11.1103 11.1411 11.1411 11.6629 11.6629 k = 0.5000 0.5000 0.3237 ( 3088 PWs) bands (ev): -6.1337 -6.1337 -6.1323 -6.1323 -2.0814 -2.0814 -1.9243 -1.9243 -1.4524 -1.4524 -1.2933 -1.2933 -1.2703 -1.2703 -0.4213 -0.4213 -0.1915 -0.1915 -0.1392 -0.1392 0.1585 0.1585 0.2184 0.2184 0.8731 0.8731 2.1445 2.1445 3.1635 3.1635 3.2213 3.2213 3.2715 3.2715 3.3850 3.3850 11.0211 11.0211 11.1790 11.1790 11.2062 11.2062 11.7006 11.7006 k = 0.5000 0.5000 0.3361 ( 3088 PWs) bands (ev): -6.1337 -6.1337 -6.1323 -6.1323 -2.0812 -2.0812 -1.9240 -1.9240 -1.4522 -1.4522 -1.2929 -1.2929 -1.2702 -1.2702 -0.4212 -0.4212 -0.1912 -0.1912 -0.1390 -0.1390 0.1590 0.1590 0.2192 0.2192 0.8727 0.8727 2.1474 2.1474 3.1569 3.1569 3.2171 3.2171 3.2677 3.2677 3.3834 3.3834 11.0417 11.0417 11.2236 11.2236 11.2482 11.2482 11.7242 11.7242 k = 0.5000 0.5000 0.3486 ( 3080 PWs) bands (ev): -6.1337 -6.1337 -6.1323 -6.1323 -2.0810 -2.0810 -1.9238 -1.9238 -1.4521 -1.4521 -1.2926 -1.2926 -1.2701 -1.2701 -0.4211 -0.4211 -0.1911 -0.1911 -0.1390 -0.1390 0.1592 0.1592 0.2196 0.2196 0.8725 0.8725 2.1484 2.1484 3.1546 3.1546 3.2157 3.2157 3.2664 3.2664 3.3828 3.3828 11.0487 11.0487 11.2391 11.2391 11.2627 11.2627 11.7322 11.7322 Writing output data file ZnCdS2.save init_run : 3.41s CPU 14.52s WALL ( 1 calls) electrons : 469.09s CPU 475.93s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.51s CPU 1.70s WALL ( 1 calls) Called by electrons: c_bands : 468.99s CPU 475.57s WALL ( 1 calls) v_of_rho : 0.06s CPU 0.86s WALL ( 1 calls) v_h : 0.00s CPU 0.01s WALL ( 1 calls) v_xc : 0.06s CPU 0.62s WALL ( 1 calls) newd : 0.85s CPU 0.96s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.01s CPU 0.14s WALL ( 367 calls) cegterg : 425.64s CPU 429.28s WALL ( 752 calls) Called by sum_band: Called by *egterg: h_psi : 163.20s CPU 170.37s WALL ( 13278 calls) s_psi : 27.54s CPU 28.16s WALL ( 13278 calls) g_psi : 0.46s CPU 0.48s WALL ( 12159 calls) cdiaghg : 174.32s CPU 172.19s WALL ( 12526 calls) cegterg:over : 37.80s CPU 34.44s WALL ( 12159 calls) cegterg:upda : 5.44s CPU 8.52s WALL ( 12159 calls) cegterg:last : 5.70s CPU 6.55s WALL ( 2163 calls) Called by h_psi: h_psi:vloc : 112.24s CPU 118.58s WALL ( 13278 calls) h_psi:vnl : 50.82s CPU 51.29s WALL ( 13278 calls) add_vuspsi : 17.04s CPU 21.09s WALL ( 13278 calls) General routines calbec : 33.71s CPU 30.05s WALL ( 13278 calls) fft : 0.40s CPU 1.50s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 101.30s CPU 105.61s WALL ( 1120000 calls) interpolate : 0.09s CPU 0.13s WALL ( 4 calls) davcio : 0.04s CPU 5.41s WALL ( 734 calls) Parallel routines fft_scatter : 81.78s CPU 84.90s WALL ( 1120023 calls) PWSCF : 8m38.26s CPU 9m52.30s WALL This run was terminated on: 16:23:21 13Jun2016 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=