Program PWSCF v.5.4.0 starts on 12Feb2017 at 2:35:42 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI & OpenMP), running on 72 processor cores Number of MPI processes: 36 Threads/MPI process: 2 R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./KCaCO3F.save/ file F.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 2S renormalized file K.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3S renormalized file Ca.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per band group will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 58 35 10 1875 895 142 Max 60 36 11 1880 908 145 Sum 2095 1285 379 67603 32437 5139 bravais-lattice index = 14 lattice parameter (alat) = 9.6394 a.u. unit-cell volume = 677.4595 (a.u.)^3 number of atoms/cell = 7 number of atomic types = 5 number of electrons = 48.00 number of Kohn-Sham states= 58 kinetic-energy cutoff = 50.0000 Ry charge density cutoff = 327.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 9.639360 celldm(2)= 1.000000 celldm(3)= 0.873390 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.500000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.500000 0.866025 0.000000 ) a(3) = ( 0.000000 0.000000 0.873390 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.577350 -0.000000 ) b(2) = ( 0.000000 1.154701 -0.000000 ) b(3) = ( 0.000000 0.000000 1.144964 ) PseudoPot. # 1 for O read from file: /users/gautes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 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 1095 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for F read from file: /users/gautes/Pseudo/F.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: ce20c52fa94def3fe434d52ed9f7ea44 Pseudo is Ultrasoft + core correction, Zval = 7.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1105 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for K read from file: /users/gautes/Pseudo/K.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 3dd1b7807415f540a701f2a402ca1bb0 Pseudo is Ultrasoft + core correction, Zval = 9.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1165 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. # 4 for Ca read from file: /users/gautes/Pseudo/Ca.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 60bd286d514994a6a955285ae841e6ef Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1169 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. # 5 for C read from file: /users/gautes/Pseudo/C.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: de79cff2a1a990998107dfc0a7a38bf3 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1073 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential O 6.00 15.99940 O( 1.00) F 7.00 18.99840 F( 1.00) K 9.00 39.09830 K( 1.00) Ca 10.00 40.07800 Ca( 1.00) C 4.00 12.01070 C( 1.00) 12 Sym. Ops. (no inversion) found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,1,0] cryst. s( 2) = ( -1 0 0 ) ( 1 1 0 ) ( 0 0 -1 ) cart. s( 2) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 3 120 deg rotation - cryst. axis [0,0,1] cryst. s( 3) = ( 0 1 0 ) ( -1 -1 0 ) ( 0 0 1 ) cart. s( 3) = ( -0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 4 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 4) = ( -1 -1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s( 4) = ( -0.5000000 0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 5 180 deg rotation - cryst. axis [1,-1,0] cryst. s( 5) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s( 5) = ( 0.5000000 -0.8660254 -0.0000000 ) ( -0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 6 180 deg rotation - cryst. axis [2,1,0] cryst. s( 6) = ( 1 1 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 6) = ( 0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 7 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 7) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s( 7) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 8 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 8) = ( -1 0 0 ) ( 1 1 0 ) ( 0 0 1 ) cart. s( 8) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 9 inv. 60 deg rotation - cryst. axis [0,0,1] cryst. s( 9) = ( -1 -1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s( 9) = ( -0.5000000 0.8660254 -0.0000000 ) ( -0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 10 inv. 60 deg rotation - cryst. axis [0,0,-1] cryst. s(10) = ( 0 1 0 ) ( -1 -1 0 ) ( 0 0 -1 ) cart. s(10) = ( -0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 11 inv. 180 deg rotation - cryst. axis [0,1,0] cryst. s(11) = ( 1 1 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s(11) = ( 0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 12 inv. 180 deg rotation - cryst. axis [1,1,0] cryst. s(12) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s(12) = ( 0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group D_3h (-62m) there are 9 classes and 3 irreducible representations the character table: E -E 2C3 -2C3 3C2' s_h 2S3 -2S3 3s_v -3C2' -s_h' -3s_v G_7 2.00 -2.00 1.00 -1.00 0.00 0.00 1.73 -1.73 0.00 G_8 2.00 -2.00 1.00 -1.00 0.00 0.00 -1.73 1.73 0.00 G_9 2.00 -2.00 -2.00 2.00 0.00 0.00 0.00 0.00 0.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E 2C3 3 4 120 deg rotation - cryst. axis [0,0,1] -2C3 -3 -4 120 deg rotation - cryst. axis [0,0,1] E 3C2'-3C2' 2 -6 -5 -2 5 6 180 deg rotation - cart. axis [0,1,0] 2S3 9 10 inv. 60 deg rotation - cryst. axis [0,0,1] -2S3 -9 -10 inv. 60 deg rotation - cryst. axis [0,0,1] E 3s_v-3s_v 7 -7 inv. 180 deg rotation - cart. axis [0,0,1] 3s_v-3s_v 8 -8 11 -12 -11 12 inv. 180 deg rotation - cart. axis [1,0,0] Cartesian axes number of k points= 315 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031746 k( 2) = ( 0.0138889 0.0080188 -0.0000000), wk = 0.0031746 k( 3) = ( 0.0277778 0.0160375 -0.0000000), wk = 0.0031746 k( 4) = ( 0.0416667 0.0240563 -0.0000000), wk = 0.0031746 k( 5) = ( 0.0555556 0.0320750 -0.0000000), wk = 0.0031746 k( 6) = ( 0.0694444 0.0400938 -0.0000000), wk = 0.0031746 k( 7) = ( 0.0833333 0.0481125 -0.0000000), wk = 0.0031746 k( 8) = ( 0.0972222 0.0561313 -0.0000000), wk = 0.0031746 k( 9) = ( 0.1111111 0.0641500 -0.0000000), wk = 0.0031746 k( 10) = ( 0.1250000 0.0721688 -0.0000000), wk = 0.0031746 k( 11) = ( 0.1388889 0.0801875 -0.0000000), wk = 0.0031746 k( 12) = ( 0.1527778 0.0882063 -0.0000000), wk = 0.0031746 k( 13) = ( 0.1666667 0.0962250 -0.0000000), wk = 0.0031746 k( 14) = ( 0.1805556 0.1042438 -0.0000000), wk = 0.0031746 k( 15) = ( 0.1944444 0.1122625 -0.0000000), wk = 0.0031746 k( 16) = ( 0.2083333 0.1202813 -0.0000000), wk = 0.0031746 k( 17) = ( 0.2222222 0.1283001 -0.0000000), wk = 0.0031746 k( 18) = ( 0.2361111 0.1363188 -0.0000000), wk = 0.0031746 k( 19) = ( 0.2500000 0.1443376 -0.0000000), wk = 0.0031746 k( 20) = ( 0.2638889 0.1523563 -0.0000000), wk = 0.0031746 k( 21) = ( 0.2777778 0.1603751 -0.0000000), wk = 0.0031746 k( 22) = ( 0.2916667 0.1683938 -0.0000000), wk = 0.0031746 k( 23) = ( 0.3055556 0.1764126 -0.0000000), wk = 0.0031746 k( 24) = ( 0.3194444 0.1844313 -0.0000000), wk = 0.0031746 k( 25) = ( 0.3333333 0.1924501 -0.0000000), wk = 0.0031746 k( 26) = ( 0.3472222 0.2004688 -0.0000000), wk = 0.0031746 k( 27) = ( 0.3611111 0.2084876 -0.0000000), wk = 0.0031746 k( 28) = ( 0.3750000 0.2165064 -0.0000000), wk = 0.0031746 k( 29) = ( 0.3888889 0.2245251 -0.0000000), wk = 0.0031746 k( 30) = ( 0.4027778 0.2325439 -0.0000000), wk = 0.0031746 k( 31) = ( 0.4166667 0.2405626 -0.0000000), wk = 0.0031746 k( 32) = ( 0.4305556 0.2485814 -0.0000000), wk = 0.0031746 k( 33) = ( 0.4444444 0.2566001 -0.0000000), wk = 0.0031746 k( 34) = ( 0.4583333 0.2646189 -0.0000000), wk = 0.0031746 k( 35) = ( 0.4722222 0.2726376 -0.0000000), wk = 0.0031746 k( 36) = ( 0.4861111 0.2806564 -0.0000000), wk = 0.0031746 k( 37) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0031746 k( 38) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0031746 k( 39) = ( 0.4920635 0.3024216 -0.0000000), wk = 0.0031746 k( 40) = ( 0.4841270 0.3161680 -0.0000000), wk = 0.0031746 k( 41) = ( 0.4761905 0.3299144 -0.0000000), wk = 0.0031746 k( 42) = ( 0.4682540 0.3436609 -0.0000000), wk = 0.0031746 k( 43) = ( 0.4603175 0.3574073 -0.0000000), wk = 0.0031746 k( 44) = ( 0.4523810 0.3711537 -0.0000000), wk = 0.0031746 k( 45) = ( 0.4444444 0.3849002 -0.0000000), wk = 0.0031746 k( 46) = ( 0.4365079 0.3986466 -0.0000000), wk = 0.0031746 k( 47) = ( 0.4285714 0.4123930 -0.0000000), wk = 0.0031746 k( 48) = ( 0.4206349 0.4261395 -0.0000000), wk = 0.0031746 k( 49) = ( 0.4126984 0.4398859 -0.0000000), wk = 0.0031746 k( 50) = ( 0.4047619 0.4536324 -0.0000000), wk = 0.0031746 k( 51) = ( 0.3968254 0.4673788 -0.0000000), wk = 0.0031746 k( 52) = ( 0.3888889 0.4811252 -0.0000000), wk = 0.0031746 k( 53) = ( 0.3809524 0.4948717 -0.0000000), wk = 0.0031746 k( 54) = ( 0.3730159 0.5086181 -0.0000000), wk = 0.0031746 k( 55) = ( 0.3650794 0.5223645 -0.0000000), wk = 0.0031746 k( 56) = ( 0.3571429 0.5361110 -0.0000000), wk = 0.0031746 k( 57) = ( 0.3492063 0.5498574 -0.0000000), wk = 0.0031746 k( 58) = ( 0.3412698 0.5636038 -0.0000000), wk = 0.0031746 k( 59) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0031746 k( 60) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0031746 k( 61) = ( 0.3253968 0.5636038 -0.0000000), wk = 0.0031746 k( 62) = ( 0.3174603 0.5498574 -0.0000000), wk = 0.0031746 k( 63) = ( 0.3095238 0.5361110 -0.0000000), wk = 0.0031746 k( 64) = ( 0.3015873 0.5223645 -0.0000000), wk = 0.0031746 k( 65) = ( 0.2936508 0.5086181 -0.0000000), wk = 0.0031746 k( 66) = ( 0.2857143 0.4948717 -0.0000000), wk = 0.0031746 k( 67) = ( 0.2777778 0.4811252 -0.0000000), wk = 0.0031746 k( 68) = ( 0.2698413 0.4673788 -0.0000000), wk = 0.0031746 k( 69) = ( 0.2619048 0.4536324 -0.0000000), wk = 0.0031746 k( 70) = ( 0.2539683 0.4398859 -0.0000000), wk = 0.0031746 k( 71) = ( 0.2460317 0.4261395 -0.0000000), wk = 0.0031746 k( 72) = ( 0.2380952 0.4123931 -0.0000000), wk = 0.0031746 k( 73) = ( 0.2301587 0.3986466 -0.0000000), wk = 0.0031746 k( 74) = ( 0.2222222 0.3849002 -0.0000000), wk = 0.0031746 k( 75) = ( 0.2142857 0.3711537 -0.0000000), wk = 0.0031746 k( 76) = ( 0.2063492 0.3574073 -0.0000000), wk = 0.0031746 k( 77) = ( 0.1984127 0.3436609 -0.0000000), wk = 0.0031746 k( 78) = ( 0.1904762 0.3299144 -0.0000000), wk = 0.0031746 k( 79) = ( 0.1825397 0.3161680 -0.0000000), wk = 0.0031746 k( 80) = ( 0.1746032 0.3024216 -0.0000000), wk = 0.0031746 k( 81) = ( 0.1666667 0.2886751 -0.0000000), wk = 0.0031746 k( 82) = ( 0.1587302 0.2749287 -0.0000000), wk = 0.0031746 k( 83) = ( 0.1507937 0.2611823 -0.0000000), wk = 0.0031746 k( 84) = ( 0.1428571 0.2474358 -0.0000000), wk = 0.0031746 k( 85) = ( 0.1349206 0.2336894 -0.0000000), wk = 0.0031746 k( 86) = ( 0.1269841 0.2199430 -0.0000000), wk = 0.0031746 k( 87) = ( 0.1190476 0.2061965 -0.0000000), wk = 0.0031746 k( 88) = ( 0.1111111 0.1924501 -0.0000000), wk = 0.0031746 k( 89) = ( 0.1031746 0.1787036 -0.0000000), wk = 0.0031746 k( 90) = ( 0.0952381 0.1649572 -0.0000000), wk = 0.0031746 k( 91) = ( 0.0873016 0.1512108 -0.0000000), wk = 0.0031746 k( 92) = ( 0.0793651 0.1374644 -0.0000000), wk = 0.0031746 k( 93) = ( 0.0714286 0.1237179 -0.0000000), wk = 0.0031746 k( 94) = ( 0.0634921 0.1099715 -0.0000000), wk = 0.0031746 k( 95) = ( 0.0555556 0.0962251 -0.0000000), wk = 0.0031746 k( 96) = ( 0.0476191 0.0824786 -0.0000000), wk = 0.0031746 k( 97) = ( 0.0396825 0.0687322 -0.0000000), wk = 0.0031746 k( 98) = ( 0.0317460 0.0549857 -0.0000000), wk = 0.0031746 k( 99) = ( 0.0238095 0.0412393 -0.0000000), wk = 0.0031746 k( 100) = ( 0.0158730 0.0274929 -0.0000000), wk = 0.0031746 k( 101) = ( 0.0079365 0.0137464 -0.0000000), wk = 0.0031746 k( 102) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031746 k( 103) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031746 k( 104) = ( 0.0000000 0.0000000 0.0159023), wk = 0.0031746 k( 105) = ( 0.0000000 0.0000000 0.0318046), wk = 0.0031746 k( 106) = ( 0.0000000 0.0000000 0.0477068), wk = 0.0031746 k( 107) = ( 0.0000000 0.0000000 0.0636091), wk = 0.0031746 k( 108) = ( 0.0000000 0.0000000 0.0795114), wk = 0.0031746 k( 109) = ( 0.0000000 0.0000000 0.0954137), wk = 0.0031746 k( 110) = ( 0.0000000 0.0000000 0.1113160), wk = 0.0031746 k( 111) = ( 0.0000000 0.0000000 0.1272182), wk = 0.0031746 k( 112) = ( 0.0000000 0.0000000 0.1431205), wk = 0.0031746 k( 113) = ( 0.0000000 0.0000000 0.1590228), wk = 0.0031746 k( 114) = ( 0.0000000 0.0000000 0.1749251), wk = 0.0031746 k( 115) = ( 0.0000000 0.0000000 0.1908274), wk = 0.0031746 k( 116) = ( 0.0000000 0.0000000 0.2067297), wk = 0.0031746 k( 117) = ( 0.0000000 0.0000000 0.2226319), wk = 0.0031746 k( 118) = ( 0.0000000 0.0000000 0.2385342), wk = 0.0031746 k( 119) = ( 0.0000000 0.0000000 0.2544365), wk = 0.0031746 k( 120) = ( 0.0000000 0.0000000 0.2703388), wk = 0.0031746 k( 121) = ( 0.0000000 0.0000000 0.2862410), wk = 0.0031746 k( 122) = ( 0.0000000 0.0000000 0.3021433), wk = 0.0031746 k( 123) = ( 0.0000000 0.0000000 0.3180456), wk = 0.0031746 k( 124) = ( 0.0000000 0.0000000 0.3339479), wk = 0.0031746 k( 125) = ( 0.0000000 0.0000000 0.3498502), wk = 0.0031746 k( 126) = ( 0.0000000 0.0000000 0.3657524), wk = 0.0031746 k( 127) = ( 0.0000000 0.0000000 0.3816547), wk = 0.0031746 k( 128) = ( 0.0000000 0.0000000 0.3975570), wk = 0.0031746 k( 129) = ( 0.0000000 0.0000000 0.4134593), wk = 0.0031746 k( 130) = ( 0.0000000 0.0000000 0.4293616), wk = 0.0031746 k( 131) = ( 0.0000000 0.0000000 0.4452639), wk = 0.0031746 k( 132) = ( 0.0000000 0.0000000 0.4611661), wk = 0.0031746 k( 133) = ( 0.0000000 0.0000000 0.4770684), wk = 0.0031746 k( 134) = ( 0.0000000 0.0000000 0.4929707), wk = 0.0031746 k( 135) = ( 0.0000000 0.0000000 0.5088730), wk = 0.0031746 k( 136) = ( 0.0000000 0.0000000 0.5247753), wk = 0.0031746 k( 137) = ( 0.0000000 0.0000000 0.5406775), wk = 0.0031746 k( 138) = ( 0.0000000 0.0000000 0.5565798), wk = 0.0031746 k( 139) = ( 0.0000000 0.0000000 0.5724821), wk = 0.0031746 k( 140) = ( 0.0000000 0.0000000 0.5724821), wk = 0.0031746 k( 141) = ( 0.0138889 0.0080188 0.5724821), wk = 0.0031746 k( 142) = ( 0.0277778 0.0160375 0.5724821), wk = 0.0031746 k( 143) = ( 0.0416667 0.0240563 0.5724821), wk = 0.0031746 k( 144) = ( 0.0555556 0.0320750 0.5724821), wk = 0.0031746 k( 145) = ( 0.0694444 0.0400938 0.5724821), wk = 0.0031746 k( 146) = ( 0.0833333 0.0481125 0.5724821), wk = 0.0031746 k( 147) = ( 0.0972222 0.0561313 0.5724821), wk = 0.0031746 k( 148) = ( 0.1111111 0.0641500 0.5724821), wk = 0.0031746 k( 149) = ( 0.1250000 0.0721688 0.5724821), wk = 0.0031746 k( 150) = ( 0.1388889 0.0801875 0.5724821), wk = 0.0031746 k( 151) = ( 0.1527778 0.0882063 0.5724821), wk = 0.0031746 k( 152) = ( 0.1666667 0.0962250 0.5724821), wk = 0.0031746 k( 153) = ( 0.1805556 0.1042438 0.5724821), wk = 0.0031746 k( 154) = ( 0.1944444 0.1122625 0.5724821), wk = 0.0031746 k( 155) = ( 0.2083333 0.1202813 0.5724821), wk = 0.0031746 k( 156) = ( 0.2222222 0.1283001 0.5724821), wk = 0.0031746 k( 157) = ( 0.2361111 0.1363188 0.5724821), wk = 0.0031746 k( 158) = ( 0.2500000 0.1443376 0.5724821), wk = 0.0031746 k( 159) = ( 0.2638889 0.1523563 0.5724821), wk = 0.0031746 k( 160) = ( 0.2777778 0.1603751 0.5724821), wk = 0.0031746 k( 161) = ( 0.2916667 0.1683938 0.5724821), wk = 0.0031746 k( 162) = ( 0.3055556 0.1764126 0.5724821), wk = 0.0031746 k( 163) = ( 0.3194444 0.1844313 0.5724821), wk = 0.0031746 k( 164) = ( 0.3333333 0.1924501 0.5724821), wk = 0.0031746 k( 165) = ( 0.3472222 0.2004688 0.5724821), wk = 0.0031746 k( 166) = ( 0.3611111 0.2084876 0.5724821), wk = 0.0031746 k( 167) = ( 0.3750000 0.2165064 0.5724821), wk = 0.0031746 k( 168) = ( 0.3888889 0.2245251 0.5724821), wk = 0.0031746 k( 169) = ( 0.4027778 0.2325439 0.5724821), wk = 0.0031746 k( 170) = ( 0.4166667 0.2405626 0.5724821), wk = 0.0031746 k( 171) = ( 0.4305556 0.2485814 0.5724821), wk = 0.0031746 k( 172) = ( 0.4444444 0.2566001 0.5724821), wk = 0.0031746 k( 173) = ( 0.4583333 0.2646189 0.5724821), wk = 0.0031746 k( 174) = ( 0.4722222 0.2726376 0.5724821), wk = 0.0031746 k( 175) = ( 0.4861111 0.2806564 0.5724821), wk = 0.0031746 k( 176) = ( 0.5000000 0.2886751 0.5724821), wk = 0.0031746 k( 177) = ( 0.5000000 0.2886751 0.5724821), wk = 0.0031746 k( 178) = ( 0.4920635 0.3024216 0.5724821), wk = 0.0031746 k( 179) = ( 0.4841270 0.3161680 0.5724821), wk = 0.0031746 k( 180) = ( 0.4761905 0.3299144 0.5724821), wk = 0.0031746 k( 181) = ( 0.4682540 0.3436609 0.5724821), wk = 0.0031746 k( 182) = ( 0.4603175 0.3574073 0.5724821), wk = 0.0031746 k( 183) = ( 0.4523810 0.3711537 0.5724821), wk = 0.0031746 k( 184) = ( 0.4444444 0.3849002 0.5724821), wk = 0.0031746 k( 185) = ( 0.4365079 0.3986466 0.5724821), wk = 0.0031746 k( 186) = ( 0.4285714 0.4123930 0.5724821), wk = 0.0031746 k( 187) = ( 0.4206349 0.4261395 0.5724821), wk = 0.0031746 k( 188) = ( 0.4126984 0.4398859 0.5724821), wk = 0.0031746 k( 189) = ( 0.4047619 0.4536324 0.5724821), wk = 0.0031746 k( 190) = ( 0.3968254 0.4673788 0.5724821), wk = 0.0031746 k( 191) = ( 0.3888889 0.4811252 0.5724821), wk = 0.0031746 k( 192) = ( 0.3809524 0.4948717 0.5724821), wk = 0.0031746 k( 193) = ( 0.3730159 0.5086181 0.5724821), wk = 0.0031746 k( 194) = ( 0.3650794 0.5223645 0.5724821), wk = 0.0031746 k( 195) = ( 0.3571429 0.5361110 0.5724821), wk = 0.0031746 k( 196) = ( 0.3492063 0.5498574 0.5724821), wk = 0.0031746 k( 197) = ( 0.3412698 0.5636038 0.5724821), wk = 0.0031746 k( 198) = ( 0.3333333 0.5773503 0.5724821), wk = 0.0031746 k( 199) = ( 0.3333333 0.5773503 0.5724821), wk = 0.0031746 k( 200) = ( 0.3253968 0.5636038 0.5724821), wk = 0.0031746 k( 201) = ( 0.3174603 0.5498574 0.5724821), wk = 0.0031746 k( 202) = ( 0.3095238 0.5361110 0.5724821), wk = 0.0031746 k( 203) = ( 0.3015873 0.5223645 0.5724821), wk = 0.0031746 k( 204) = ( 0.2936508 0.5086181 0.5724821), wk = 0.0031746 k( 205) = ( 0.2857143 0.4948717 0.5724821), wk = 0.0031746 k( 206) = ( 0.2777778 0.4811252 0.5724821), wk = 0.0031746 k( 207) = ( 0.2698413 0.4673788 0.5724821), wk = 0.0031746 k( 208) = ( 0.2619048 0.4536324 0.5724821), wk = 0.0031746 k( 209) = ( 0.2539683 0.4398859 0.5724821), wk = 0.0031746 k( 210) = ( 0.2460317 0.4261395 0.5724821), wk = 0.0031746 k( 211) = ( 0.2380952 0.4123931 0.5724821), wk = 0.0031746 k( 212) = ( 0.2301587 0.3986466 0.5724821), wk = 0.0031746 k( 213) = ( 0.2222222 0.3849002 0.5724821), wk = 0.0031746 k( 214) = ( 0.2142857 0.3711537 0.5724821), wk = 0.0031746 k( 215) = ( 0.2063492 0.3574073 0.5724821), wk = 0.0031746 k( 216) = ( 0.1984127 0.3436609 0.5724821), wk = 0.0031746 k( 217) = ( 0.1904762 0.3299144 0.5724821), wk = 0.0031746 k( 218) = ( 0.1825397 0.3161680 0.5724821), wk = 0.0031746 k( 219) = ( 0.1746032 0.3024216 0.5724821), wk = 0.0031746 k( 220) = ( 0.1666667 0.2886751 0.5724821), wk = 0.0031746 k( 221) = ( 0.1587302 0.2749287 0.5724821), wk = 0.0031746 k( 222) = ( 0.1507937 0.2611823 0.5724821), wk = 0.0031746 k( 223) = ( 0.1428571 0.2474358 0.5724821), wk = 0.0031746 k( 224) = ( 0.1349206 0.2336894 0.5724821), wk = 0.0031746 k( 225) = ( 0.1269841 0.2199430 0.5724821), wk = 0.0031746 k( 226) = ( 0.1190476 0.2061965 0.5724821), wk = 0.0031746 k( 227) = ( 0.1111111 0.1924501 0.5724821), wk = 0.0031746 k( 228) = ( 0.1031746 0.1787036 0.5724821), wk = 0.0031746 k( 229) = ( 0.0952381 0.1649572 0.5724821), wk = 0.0031746 k( 230) = ( 0.0873016 0.1512108 0.5724821), wk = 0.0031746 k( 231) = ( 0.0793651 0.1374644 0.5724821), wk = 0.0031746 k( 232) = ( 0.0714286 0.1237179 0.5724821), wk = 0.0031746 k( 233) = ( 0.0634921 0.1099715 0.5724821), wk = 0.0031746 k( 234) = ( 0.0555556 0.0962251 0.5724821), wk = 0.0031746 k( 235) = ( 0.0476191 0.0824786 0.5724821), wk = 0.0031746 k( 236) = ( 0.0396825 0.0687322 0.5724821), wk = 0.0031746 k( 237) = ( 0.0317460 0.0549857 0.5724821), wk = 0.0031746 k( 238) = ( 0.0238095 0.0412393 0.5724821), wk = 0.0031746 k( 239) = ( 0.0158730 0.0274929 0.5724821), wk = 0.0031746 k( 240) = ( 0.0079365 0.0137464 0.5724821), wk = 0.0031746 k( 241) = ( 0.0000000 0.0000000 0.5724821), wk = 0.0031746 k( 242) = ( 0.5000000 0.2886751 0.5724821), wk = 0.0031746 k( 243) = ( 0.5000000 0.2886751 0.5565798), wk = 0.0031746 k( 244) = ( 0.5000000 0.2886751 0.5406775), wk = 0.0031746 k( 245) = ( 0.5000000 0.2886751 0.5247753), wk = 0.0031746 k( 246) = ( 0.5000000 0.2886751 0.5088730), wk = 0.0031746 k( 247) = ( 0.5000000 0.2886751 0.4929707), wk = 0.0031746 k( 248) = ( 0.5000000 0.2886751 0.4770684), wk = 0.0031746 k( 249) = ( 0.5000000 0.2886751 0.4611661), wk = 0.0031746 k( 250) = ( 0.5000000 0.2886751 0.4452639), wk = 0.0031746 k( 251) = ( 0.5000000 0.2886751 0.4293616), wk = 0.0031746 k( 252) = ( 0.5000000 0.2886751 0.4134593), wk = 0.0031746 k( 253) = ( 0.5000000 0.2886751 0.3975570), wk = 0.0031746 k( 254) = ( 0.5000000 0.2886751 0.3816547), wk = 0.0031746 k( 255) = ( 0.5000000 0.2886751 0.3657524), wk = 0.0031746 k( 256) = ( 0.5000000 0.2886751 0.3498502), wk = 0.0031746 k( 257) = ( 0.5000000 0.2886751 0.3339479), wk = 0.0031746 k( 258) = ( 0.5000000 0.2886751 0.3180456), wk = 0.0031746 k( 259) = ( 0.5000000 0.2886751 0.3021433), wk = 0.0031746 k( 260) = ( 0.5000000 0.2886751 0.2862410), wk = 0.0031746 k( 261) = ( 0.5000000 0.2886751 0.2703388), wk = 0.0031746 k( 262) = ( 0.5000000 0.2886751 0.2544365), wk = 0.0031746 k( 263) = ( 0.5000000 0.2886751 0.2385342), wk = 0.0031746 k( 264) = ( 0.5000000 0.2886751 0.2226319), wk = 0.0031746 k( 265) = ( 0.5000000 0.2886751 0.2067297), wk = 0.0031746 k( 266) = ( 0.5000000 0.2886751 0.1908274), wk = 0.0031746 k( 267) = ( 0.5000000 0.2886751 0.1749251), wk = 0.0031746 k( 268) = ( 0.5000000 0.2886751 0.1590228), wk = 0.0031746 k( 269) = ( 0.5000000 0.2886751 0.1431205), wk = 0.0031746 k( 270) = ( 0.5000000 0.2886751 0.1272182), wk = 0.0031746 k( 271) = ( 0.5000000 0.2886751 0.1113160), wk = 0.0031746 k( 272) = ( 0.5000000 0.2886751 0.0954137), wk = 0.0031746 k( 273) = ( 0.5000000 0.2886751 0.0795114), wk = 0.0031746 k( 274) = ( 0.5000000 0.2886751 0.0636091), wk = 0.0031746 k( 275) = ( 0.5000000 0.2886751 0.0477068), wk = 0.0031746 k( 276) = ( 0.5000000 0.2886751 0.0318046), wk = 0.0031746 k( 277) = ( 0.5000000 0.2886751 0.0159023), wk = 0.0031746 k( 278) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0031746 k( 279) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0031746 k( 280) = ( 0.3333333 0.5773503 0.0159023), wk = 0.0031746 k( 281) = ( 0.3333333 0.5773503 0.0318046), wk = 0.0031746 k( 282) = ( 0.3333333 0.5773503 0.0477068), wk = 0.0031746 k( 283) = ( 0.3333333 0.5773503 0.0636091), wk = 0.0031746 k( 284) = ( 0.3333333 0.5773503 0.0795114), wk = 0.0031746 k( 285) = ( 0.3333333 0.5773503 0.0954137), wk = 0.0031746 k( 286) = ( 0.3333333 0.5773503 0.1113160), wk = 0.0031746 k( 287) = ( 0.3333333 0.5773503 0.1272182), wk = 0.0031746 k( 288) = ( 0.3333333 0.5773503 0.1431205), wk = 0.0031746 k( 289) = ( 0.3333333 0.5773503 0.1590228), wk = 0.0031746 k( 290) = ( 0.3333333 0.5773503 0.1749251), wk = 0.0031746 k( 291) = ( 0.3333333 0.5773503 0.1908274), wk = 0.0031746 k( 292) = ( 0.3333333 0.5773503 0.2067297), wk = 0.0031746 k( 293) = ( 0.3333333 0.5773503 0.2226319), wk = 0.0031746 k( 294) = ( 0.3333333 0.5773503 0.2385342), wk = 0.0031746 k( 295) = ( 0.3333333 0.5773503 0.2544365), wk = 0.0031746 k( 296) = ( 0.3333333 0.5773503 0.2703388), wk = 0.0031746 k( 297) = ( 0.3333333 0.5773503 0.2862410), wk = 0.0031746 k( 298) = ( 0.3333333 0.5773503 0.3021433), wk = 0.0031746 k( 299) = ( 0.3333333 0.5773503 0.3180456), wk = 0.0031746 k( 300) = ( 0.3333333 0.5773503 0.3339479), wk = 0.0031746 k( 301) = ( 0.3333333 0.5773503 0.3498502), wk = 0.0031746 k( 302) = ( 0.3333333 0.5773503 0.3657524), wk = 0.0031746 k( 303) = ( 0.3333333 0.5773503 0.3816547), wk = 0.0031746 k( 304) = ( 0.3333333 0.5773503 0.3975570), wk = 0.0031746 k( 305) = ( 0.3333333 0.5773503 0.4134593), wk = 0.0031746 k( 306) = ( 0.3333333 0.5773503 0.4293616), wk = 0.0031746 k( 307) = ( 0.3333333 0.5773503 0.4452639), wk = 0.0031746 k( 308) = ( 0.3333333 0.5773503 0.4611661), wk = 0.0031746 k( 309) = ( 0.3333333 0.5773503 0.4770684), wk = 0.0031746 k( 310) = ( 0.3333333 0.5773503 0.4929707), wk = 0.0031746 k( 311) = ( 0.3333333 0.5773503 0.5088730), wk = 0.0031746 k( 312) = ( 0.3333333 0.5773503 0.5247753), wk = 0.0031746 k( 313) = ( 0.3333333 0.5773503 0.5406775), wk = 0.0031746 k( 314) = ( 0.3333333 0.5773503 0.5565798), wk = 0.0031746 k( 315) = ( 0.3333333 0.5773503 0.5724821), wk = 0.0031746 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031746 k( 2) = ( 0.0138889 -0.0000000 0.0000000), wk = 0.0031746 k( 3) = ( 0.0277778 -0.0000000 0.0000000), wk = 0.0031746 k( 4) = ( 0.0416667 -0.0000000 0.0000000), wk = 0.0031746 k( 5) = ( 0.0555556 -0.0000000 0.0000000), wk = 0.0031746 k( 6) = ( 0.0694444 -0.0000000 0.0000000), wk = 0.0031746 k( 7) = ( 0.0833333 -0.0000000 -0.0000000), wk = 0.0031746 k( 8) = ( 0.0972222 -0.0000000 0.0000000), wk = 0.0031746 k( 9) = ( 0.1111111 -0.0000000 -0.0000000), wk = 0.0031746 k( 10) = ( 0.1250000 -0.0000000 0.0000000), wk = 0.0031746 k( 11) = ( 0.1388889 -0.0000000 0.0000000), wk = 0.0031746 k( 12) = ( 0.1527778 -0.0000000 0.0000000), wk = 0.0031746 k( 13) = ( 0.1666667 -0.0000000 -0.0000000), wk = 0.0031746 k( 14) = ( 0.1805556 -0.0000000 -0.0000000), wk = 0.0031746 k( 15) = ( 0.1944444 -0.0000000 0.0000000), wk = 0.0031746 k( 16) = ( 0.2083333 -0.0000000 0.0000000), wk = 0.0031746 k( 17) = ( 0.2222222 -0.0000000 -0.0000000), wk = 0.0031746 k( 18) = ( 0.2361111 -0.0000000 -0.0000000), wk = 0.0031746 k( 19) = ( 0.2500000 -0.0000000 0.0000000), wk = 0.0031746 k( 20) = ( 0.2638889 -0.0000000 0.0000000), wk = 0.0031746 k( 21) = ( 0.2777778 -0.0000000 0.0000000), wk = 0.0031746 k( 22) = ( 0.2916667 -0.0000000 0.0000000), wk = 0.0031746 k( 23) = ( 0.3055556 -0.0000000 0.0000000), wk = 0.0031746 k( 24) = ( 0.3194444 -0.0000000 -0.0000000), wk = 0.0031746 k( 25) = ( 0.3333333 -0.0000000 0.0000000), wk = 0.0031746 k( 26) = ( 0.3472222 -0.0000000 -0.0000000), wk = 0.0031746 k( 27) = ( 0.3611111 -0.0000000 -0.0000000), wk = 0.0031746 k( 28) = ( 0.3750000 -0.0000000 0.0000000), wk = 0.0031746 k( 29) = ( 0.3888889 -0.0000000 0.0000000), wk = 0.0031746 k( 30) = ( 0.4027778 -0.0000000 0.0000000), wk = 0.0031746 k( 31) = ( 0.4166667 -0.0000000 0.0000000), wk = 0.0031746 k( 32) = ( 0.4305556 -0.0000000 0.0000000), wk = 0.0031746 k( 33) = ( 0.4444444 -0.0000000 -0.0000000), wk = 0.0031746 k( 34) = ( 0.4583333 -0.0000000 0.0000000), wk = 0.0031746 k( 35) = ( 0.4722222 -0.0000000 -0.0000000), wk = 0.0031746 k( 36) = ( 0.4861111 -0.0000000 0.0000000), wk = 0.0031746 k( 37) = ( 0.5000000 -0.0000000 0.0000000), wk = 0.0031746 k( 38) = ( 0.5000000 -0.0000000 0.0000000), wk = 0.0031746 k( 39) = ( 0.4920635 0.0158730 -0.0000000), wk = 0.0031746 k( 40) = ( 0.4841270 0.0317460 0.0000000), wk = 0.0031746 k( 41) = ( 0.4761905 0.0476190 0.0000000), wk = 0.0031746 k( 42) = ( 0.4682540 0.0634921 0.0000000), wk = 0.0031746 k( 43) = ( 0.4603175 0.0793651 0.0000000), wk = 0.0031746 k( 44) = ( 0.4523810 0.0952381 0.0000000), wk = 0.0031746 k( 45) = ( 0.4444444 0.1111111 -0.0000000), wk = 0.0031746 k( 46) = ( 0.4365079 0.1269841 0.0000000), wk = 0.0031746 k( 47) = ( 0.4285714 0.1428571 -0.0000000), wk = 0.0031746 k( 48) = ( 0.4206349 0.1587302 0.0000000), wk = 0.0031746 k( 49) = ( 0.4126984 0.1746032 0.0000000), wk = 0.0031746 k( 50) = ( 0.4047619 0.1904762 0.0000000), wk = 0.0031746 k( 51) = ( 0.3968254 0.2063492 0.0000000), wk = 0.0031746 k( 52) = ( 0.3888889 0.2222222 0.0000000), wk = 0.0031746 k( 53) = ( 0.3809524 0.2380952 0.0000000), wk = 0.0031746 k( 54) = ( 0.3730159 0.2539682 -0.0000000), wk = 0.0031746 k( 55) = ( 0.3650794 0.2698413 -0.0000000), wk = 0.0031746 k( 56) = ( 0.3571429 0.2857143 -0.0000000), wk = 0.0031746 k( 57) = ( 0.3492063 0.3015873 0.0000000), wk = 0.0031746 k( 58) = ( 0.3412698 0.3174603 0.0000000), wk = 0.0031746 k( 59) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0031746 k( 60) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0031746 k( 61) = ( 0.3253968 0.3253968 -0.0000000), wk = 0.0031746 k( 62) = ( 0.3174603 0.3174603 -0.0000000), wk = 0.0031746 k( 63) = ( 0.3095238 0.3095238 -0.0000000), wk = 0.0031746 k( 64) = ( 0.3015873 0.3015873 0.0000000), wk = 0.0031746 k( 65) = ( 0.2936508 0.2936508 0.0000000), wk = 0.0031746 k( 66) = ( 0.2857143 0.2857143 -0.0000000), wk = 0.0031746 k( 67) = ( 0.2777778 0.2777778 -0.0000000), wk = 0.0031746 k( 68) = ( 0.2698413 0.2698413 0.0000000), wk = 0.0031746 k( 69) = ( 0.2619048 0.2619048 0.0000000), wk = 0.0031746 k( 70) = ( 0.2539683 0.2539683 0.0000000), wk = 0.0031746 k( 71) = ( 0.2460317 0.2460317 -0.0000000), wk = 0.0031746 k( 72) = ( 0.2380952 0.2380952 0.0000000), wk = 0.0031746 k( 73) = ( 0.2301587 0.2301587 0.0000000), wk = 0.0031746 k( 74) = ( 0.2222222 0.2222222 0.0000000), wk = 0.0031746 k( 75) = ( 0.2142857 0.2142857 0.0000000), wk = 0.0031746 k( 76) = ( 0.2063492 0.2063492 0.0000000), wk = 0.0031746 k( 77) = ( 0.1984127 0.1984127 -0.0000000), wk = 0.0031746 k( 78) = ( 0.1904762 0.1904762 -0.0000000), wk = 0.0031746 k( 79) = ( 0.1825397 0.1825397 -0.0000000), wk = 0.0031746 k( 80) = ( 0.1746032 0.1746032 0.0000000), wk = 0.0031746 k( 81) = ( 0.1666667 0.1666667 -0.0000000), wk = 0.0031746 k( 82) = ( 0.1587302 0.1587302 -0.0000000), wk = 0.0031746 k( 83) = ( 0.1507937 0.1507937 0.0000000), wk = 0.0031746 k( 84) = ( 0.1428571 0.1428571 0.0000000), wk = 0.0031746 k( 85) = ( 0.1349206 0.1349206 0.0000000), wk = 0.0031746 k( 86) = ( 0.1269841 0.1269841 -0.0000000), wk = 0.0031746 k( 87) = ( 0.1190476 0.1190476 0.0000000), wk = 0.0031746 k( 88) = ( 0.1111111 0.1111111 0.0000000), wk = 0.0031746 k( 89) = ( 0.1031746 0.1031746 -0.0000000), wk = 0.0031746 k( 90) = ( 0.0952381 0.0952381 -0.0000000), wk = 0.0031746 k( 91) = ( 0.0873016 0.0873016 -0.0000000), wk = 0.0031746 k( 92) = ( 0.0793651 0.0793651 -0.0000000), wk = 0.0031746 k( 93) = ( 0.0714286 0.0714286 0.0000000), wk = 0.0031746 k( 94) = ( 0.0634921 0.0634921 0.0000000), wk = 0.0031746 k( 95) = ( 0.0555556 0.0555556 0.0000000), wk = 0.0031746 k( 96) = ( 0.0476191 0.0476190 -0.0000000), wk = 0.0031746 k( 97) = ( 0.0396825 0.0396825 -0.0000000), wk = 0.0031746 k( 98) = ( 0.0317460 0.0317460 0.0000000), wk = 0.0031746 k( 99) = ( 0.0238095 0.0238095 0.0000000), wk = 0.0031746 k( 100) = ( 0.0158730 0.0158730 -0.0000000), wk = 0.0031746 k( 101) = ( 0.0079365 0.0079365 -0.0000000), wk = 0.0031746 k( 102) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031746 k( 103) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031746 k( 104) = ( 0.0000000 0.0000000 0.0138889), wk = 0.0031746 k( 105) = ( 0.0000000 0.0000000 0.0277778), wk = 0.0031746 k( 106) = ( 0.0000000 0.0000000 0.0416667), wk = 0.0031746 k( 107) = ( 0.0000000 0.0000000 0.0555556), wk = 0.0031746 k( 108) = ( 0.0000000 0.0000000 0.0694444), wk = 0.0031746 k( 109) = ( 0.0000000 0.0000000 0.0833333), wk = 0.0031746 k( 110) = ( 0.0000000 0.0000000 0.0972222), wk = 0.0031746 k( 111) = ( 0.0000000 0.0000000 0.1111111), wk = 0.0031746 k( 112) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0031746 k( 113) = ( 0.0000000 0.0000000 0.1388889), wk = 0.0031746 k( 114) = ( 0.0000000 0.0000000 0.1527778), wk = 0.0031746 k( 115) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0031746 k( 116) = ( 0.0000000 0.0000000 0.1805556), wk = 0.0031746 k( 117) = ( 0.0000000 0.0000000 0.1944444), wk = 0.0031746 k( 118) = ( 0.0000000 0.0000000 0.2083333), wk = 0.0031746 k( 119) = ( 0.0000000 0.0000000 0.2222222), wk = 0.0031746 k( 120) = ( 0.0000000 0.0000000 0.2361111), wk = 0.0031746 k( 121) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0031746 k( 122) = ( 0.0000000 0.0000000 0.2638889), wk = 0.0031746 k( 123) = ( 0.0000000 0.0000000 0.2777778), wk = 0.0031746 k( 124) = ( 0.0000000 0.0000000 0.2916667), wk = 0.0031746 k( 125) = ( 0.0000000 0.0000000 0.3055556), wk = 0.0031746 k( 126) = ( 0.0000000 0.0000000 0.3194444), wk = 0.0031746 k( 127) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0031746 k( 128) = ( 0.0000000 0.0000000 0.3472222), wk = 0.0031746 k( 129) = ( 0.0000000 0.0000000 0.3611111), wk = 0.0031746 k( 130) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0031746 k( 131) = ( 0.0000000 0.0000000 0.3888889), wk = 0.0031746 k( 132) = ( 0.0000000 0.0000000 0.4027778), wk = 0.0031746 k( 133) = ( 0.0000000 0.0000000 0.4166667), wk = 0.0031746 k( 134) = ( 0.0000000 0.0000000 0.4305556), wk = 0.0031746 k( 135) = ( 0.0000000 0.0000000 0.4444444), wk = 0.0031746 k( 136) = ( 0.0000000 0.0000000 0.4583333), wk = 0.0031746 k( 137) = ( 0.0000000 0.0000000 0.4722222), wk = 0.0031746 k( 138) = ( 0.0000000 0.0000000 0.4861111), wk = 0.0031746 k( 139) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0031746 k( 140) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0031746 k( 141) = ( 0.0138889 -0.0000000 0.5000000), wk = 0.0031746 k( 142) = ( 0.0277778 -0.0000000 0.5000000), wk = 0.0031746 k( 143) = ( 0.0416667 -0.0000000 0.5000000), wk = 0.0031746 k( 144) = ( 0.0555556 -0.0000000 0.5000000), wk = 0.0031746 k( 145) = ( 0.0694444 -0.0000000 0.5000000), wk = 0.0031746 k( 146) = ( 0.0833333 -0.0000000 0.5000000), wk = 0.0031746 k( 147) = ( 0.0972222 -0.0000000 0.5000000), wk = 0.0031746 k( 148) = ( 0.1111111 -0.0000000 0.5000000), wk = 0.0031746 k( 149) = ( 0.1250000 -0.0000000 0.5000000), wk = 0.0031746 k( 150) = ( 0.1388889 -0.0000000 0.5000000), wk = 0.0031746 k( 151) = ( 0.1527778 -0.0000000 0.5000000), wk = 0.0031746 k( 152) = ( 0.1666667 -0.0000000 0.5000000), wk = 0.0031746 k( 153) = ( 0.1805556 -0.0000000 0.5000000), wk = 0.0031746 k( 154) = ( 0.1944444 -0.0000000 0.5000000), wk = 0.0031746 k( 155) = ( 0.2083333 -0.0000000 0.5000000), wk = 0.0031746 k( 156) = ( 0.2222222 -0.0000000 0.5000000), wk = 0.0031746 k( 157) = ( 0.2361111 -0.0000000 0.5000000), wk = 0.0031746 k( 158) = ( 0.2500000 -0.0000000 0.5000000), wk = 0.0031746 k( 159) = ( 0.2638889 -0.0000000 0.5000000), wk = 0.0031746 k( 160) = ( 0.2777778 -0.0000000 0.5000000), wk = 0.0031746 k( 161) = ( 0.2916667 -0.0000000 0.5000000), wk = 0.0031746 k( 162) = ( 0.3055556 -0.0000000 0.5000000), wk = 0.0031746 k( 163) = ( 0.3194444 -0.0000000 0.5000000), wk = 0.0031746 k( 164) = ( 0.3333333 -0.0000000 0.5000000), wk = 0.0031746 k( 165) = ( 0.3472222 -0.0000000 0.5000000), wk = 0.0031746 k( 166) = ( 0.3611111 -0.0000000 0.5000000), wk = 0.0031746 k( 167) = ( 0.3750000 -0.0000000 0.5000000), wk = 0.0031746 k( 168) = ( 0.3888889 -0.0000000 0.5000000), wk = 0.0031746 k( 169) = ( 0.4027778 -0.0000000 0.5000000), wk = 0.0031746 k( 170) = ( 0.4166667 -0.0000000 0.5000000), wk = 0.0031746 k( 171) = ( 0.4305556 -0.0000000 0.5000000), wk = 0.0031746 k( 172) = ( 0.4444444 -0.0000000 0.5000000), wk = 0.0031746 k( 173) = ( 0.4583333 -0.0000000 0.5000000), wk = 0.0031746 k( 174) = ( 0.4722222 -0.0000000 0.5000000), wk = 0.0031746 k( 175) = ( 0.4861111 -0.0000000 0.5000000), wk = 0.0031746 k( 176) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0031746 k( 177) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0031746 k( 178) = ( 0.4920635 0.0158730 0.5000000), wk = 0.0031746 k( 179) = ( 0.4841270 0.0317460 0.5000000), wk = 0.0031746 k( 180) = ( 0.4761905 0.0476190 0.5000000), wk = 0.0031746 k( 181) = ( 0.4682540 0.0634921 0.5000000), wk = 0.0031746 k( 182) = ( 0.4603175 0.0793651 0.5000000), wk = 0.0031746 k( 183) = ( 0.4523810 0.0952381 0.5000000), wk = 0.0031746 k( 184) = ( 0.4444444 0.1111111 0.5000000), wk = 0.0031746 k( 185) = ( 0.4365079 0.1269841 0.5000000), wk = 0.0031746 k( 186) = ( 0.4285714 0.1428571 0.5000000), wk = 0.0031746 k( 187) = ( 0.4206349 0.1587302 0.5000000), wk = 0.0031746 k( 188) = ( 0.4126984 0.1746032 0.5000000), wk = 0.0031746 k( 189) = ( 0.4047619 0.1904762 0.5000000), wk = 0.0031746 k( 190) = ( 0.3968254 0.2063492 0.5000000), wk = 0.0031746 k( 191) = ( 0.3888889 0.2222222 0.5000000), wk = 0.0031746 k( 192) = ( 0.3809524 0.2380952 0.5000000), wk = 0.0031746 k( 193) = ( 0.3730159 0.2539682 0.5000000), wk = 0.0031746 k( 194) = ( 0.3650794 0.2698413 0.5000000), wk = 0.0031746 k( 195) = ( 0.3571429 0.2857143 0.5000000), wk = 0.0031746 k( 196) = ( 0.3492063 0.3015873 0.5000000), wk = 0.0031746 k( 197) = ( 0.3412698 0.3174603 0.5000000), wk = 0.0031746 k( 198) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0031746 k( 199) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0031746 k( 200) = ( 0.3253968 0.3253968 0.5000000), wk = 0.0031746 k( 201) = ( 0.3174603 0.3174603 0.5000000), wk = 0.0031746 k( 202) = ( 0.3095238 0.3095238 0.5000000), wk = 0.0031746 k( 203) = ( 0.3015873 0.3015873 0.5000000), wk = 0.0031746 k( 204) = ( 0.2936508 0.2936508 0.5000000), wk = 0.0031746 k( 205) = ( 0.2857143 0.2857143 0.5000000), wk = 0.0031746 k( 206) = ( 0.2777778 0.2777778 0.5000000), wk = 0.0031746 k( 207) = ( 0.2698413 0.2698413 0.5000000), wk = 0.0031746 k( 208) = ( 0.2619048 0.2619048 0.5000000), wk = 0.0031746 k( 209) = ( 0.2539683 0.2539683 0.5000000), wk = 0.0031746 k( 210) = ( 0.2460317 0.2460317 0.5000000), wk = 0.0031746 k( 211) = ( 0.2380952 0.2380952 0.5000000), wk = 0.0031746 k( 212) = ( 0.2301587 0.2301587 0.5000000), wk = 0.0031746 k( 213) = ( 0.2222222 0.2222222 0.5000000), wk = 0.0031746 k( 214) = ( 0.2142857 0.2142857 0.5000000), wk = 0.0031746 k( 215) = ( 0.2063492 0.2063492 0.5000000), wk = 0.0031746 k( 216) = ( 0.1984127 0.1984127 0.5000000), wk = 0.0031746 k( 217) = ( 0.1904762 0.1904762 0.5000000), wk = 0.0031746 k( 218) = ( 0.1825397 0.1825397 0.5000000), wk = 0.0031746 k( 219) = ( 0.1746032 0.1746032 0.5000000), wk = 0.0031746 k( 220) = ( 0.1666667 0.1666667 0.5000000), wk = 0.0031746 k( 221) = ( 0.1587302 0.1587302 0.5000000), wk = 0.0031746 k( 222) = ( 0.1507937 0.1507937 0.5000000), wk = 0.0031746 k( 223) = ( 0.1428571 0.1428571 0.5000000), wk = 0.0031746 k( 224) = ( 0.1349206 0.1349206 0.5000000), wk = 0.0031746 k( 225) = ( 0.1269841 0.1269841 0.5000000), wk = 0.0031746 k( 226) = ( 0.1190476 0.1190476 0.5000000), wk = 0.0031746 k( 227) = ( 0.1111111 0.1111111 0.5000000), wk = 0.0031746 k( 228) = ( 0.1031746 0.1031746 0.5000000), wk = 0.0031746 k( 229) = ( 0.0952381 0.0952381 0.5000000), wk = 0.0031746 k( 230) = ( 0.0873016 0.0873016 0.5000000), wk = 0.0031746 k( 231) = ( 0.0793651 0.0793651 0.5000000), wk = 0.0031746 k( 232) = ( 0.0714286 0.0714286 0.5000000), wk = 0.0031746 k( 233) = ( 0.0634921 0.0634921 0.5000000), wk = 0.0031746 k( 234) = ( 0.0555556 0.0555556 0.5000000), wk = 0.0031746 k( 235) = ( 0.0476191 0.0476190 0.5000000), wk = 0.0031746 k( 236) = ( 0.0396825 0.0396825 0.5000000), wk = 0.0031746 k( 237) = ( 0.0317460 0.0317460 0.5000000), wk = 0.0031746 k( 238) = ( 0.0238095 0.0238095 0.5000000), wk = 0.0031746 k( 239) = ( 0.0158730 0.0158730 0.5000000), wk = 0.0031746 k( 240) = ( 0.0079365 0.0079365 0.5000000), wk = 0.0031746 k( 241) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0031746 k( 242) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0031746 k( 243) = ( 0.5000000 -0.0000000 0.4861111), wk = 0.0031746 k( 244) = ( 0.5000000 -0.0000000 0.4722222), wk = 0.0031746 k( 245) = ( 0.5000000 -0.0000000 0.4583333), wk = 0.0031746 k( 246) = ( 0.5000000 -0.0000000 0.4444444), wk = 0.0031746 k( 247) = ( 0.5000000 -0.0000000 0.4305556), wk = 0.0031746 k( 248) = ( 0.5000000 -0.0000000 0.4166667), wk = 0.0031746 k( 249) = ( 0.5000000 -0.0000000 0.4027778), wk = 0.0031746 k( 250) = ( 0.5000000 -0.0000000 0.3888889), wk = 0.0031746 k( 251) = ( 0.5000000 -0.0000000 0.3750000), wk = 0.0031746 k( 252) = ( 0.5000000 -0.0000000 0.3611111), wk = 0.0031746 k( 253) = ( 0.5000000 -0.0000000 0.3472222), wk = 0.0031746 k( 254) = ( 0.5000000 -0.0000000 0.3333333), wk = 0.0031746 k( 255) = ( 0.5000000 -0.0000000 0.3194444), wk = 0.0031746 k( 256) = ( 0.5000000 -0.0000000 0.3055556), wk = 0.0031746 k( 257) = ( 0.5000000 -0.0000000 0.2916667), wk = 0.0031746 k( 258) = ( 0.5000000 -0.0000000 0.2777778), wk = 0.0031746 k( 259) = ( 0.5000000 -0.0000000 0.2638889), wk = 0.0031746 k( 260) = ( 0.5000000 -0.0000000 0.2500000), wk = 0.0031746 k( 261) = ( 0.5000000 -0.0000000 0.2361111), wk = 0.0031746 k( 262) = ( 0.5000000 -0.0000000 0.2222222), wk = 0.0031746 k( 263) = ( 0.5000000 -0.0000000 0.2083333), wk = 0.0031746 k( 264) = ( 0.5000000 -0.0000000 0.1944444), wk = 0.0031746 k( 265) = ( 0.5000000 -0.0000000 0.1805556), wk = 0.0031746 k( 266) = ( 0.5000000 -0.0000000 0.1666667), wk = 0.0031746 k( 267) = ( 0.5000000 -0.0000000 0.1527778), wk = 0.0031746 k( 268) = ( 0.5000000 -0.0000000 0.1388889), wk = 0.0031746 k( 269) = ( 0.5000000 -0.0000000 0.1250000), wk = 0.0031746 k( 270) = ( 0.5000000 -0.0000000 0.1111111), wk = 0.0031746 k( 271) = ( 0.5000000 -0.0000000 0.0972222), wk = 0.0031746 k( 272) = ( 0.5000000 -0.0000000 0.0833333), wk = 0.0031746 k( 273) = ( 0.5000000 -0.0000000 0.0694444), wk = 0.0031746 k( 274) = ( 0.5000000 -0.0000000 0.0555556), wk = 0.0031746 k( 275) = ( 0.5000000 -0.0000000 0.0416667), wk = 0.0031746 k( 276) = ( 0.5000000 -0.0000000 0.0277778), wk = 0.0031746 k( 277) = ( 0.5000000 -0.0000000 0.0138889), wk = 0.0031746 k( 278) = ( 0.5000000 -0.0000000 0.0000000), wk = 0.0031746 k( 279) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0031746 k( 280) = ( 0.3333333 0.3333333 0.0138889), wk = 0.0031746 k( 281) = ( 0.3333333 0.3333333 0.0277778), wk = 0.0031746 k( 282) = ( 0.3333333 0.3333333 0.0416667), wk = 0.0031746 k( 283) = ( 0.3333333 0.3333333 0.0555556), wk = 0.0031746 k( 284) = ( 0.3333333 0.3333333 0.0694444), wk = 0.0031746 k( 285) = ( 0.3333333 0.3333333 0.0833333), wk = 0.0031746 k( 286) = ( 0.3333333 0.3333333 0.0972222), wk = 0.0031746 k( 287) = ( 0.3333333 0.3333333 0.1111111), wk = 0.0031746 k( 288) = ( 0.3333333 0.3333333 0.1250000), wk = 0.0031746 k( 289) = ( 0.3333333 0.3333333 0.1388889), wk = 0.0031746 k( 290) = ( 0.3333333 0.3333333 0.1527778), wk = 0.0031746 k( 291) = ( 0.3333333 0.3333333 0.1666667), wk = 0.0031746 k( 292) = ( 0.3333333 0.3333333 0.1805556), wk = 0.0031746 k( 293) = ( 0.3333333 0.3333333 0.1944444), wk = 0.0031746 k( 294) = ( 0.3333333 0.3333333 0.2083333), wk = 0.0031746 k( 295) = ( 0.3333333 0.3333333 0.2222222), wk = 0.0031746 k( 296) = ( 0.3333333 0.3333333 0.2361111), wk = 0.0031746 k( 297) = ( 0.3333333 0.3333333 0.2500000), wk = 0.0031746 k( 298) = ( 0.3333333 0.3333333 0.2638889), wk = 0.0031746 k( 299) = ( 0.3333333 0.3333333 0.2777778), wk = 0.0031746 k( 300) = ( 0.3333333 0.3333333 0.2916667), wk = 0.0031746 k( 301) = ( 0.3333333 0.3333333 0.3055556), wk = 0.0031746 k( 302) = ( 0.3333333 0.3333333 0.3194444), wk = 0.0031746 k( 303) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0031746 k( 304) = ( 0.3333333 0.3333333 0.3472222), wk = 0.0031746 k( 305) = ( 0.3333333 0.3333333 0.3611111), wk = 0.0031746 k( 306) = ( 0.3333333 0.3333333 0.3750000), wk = 0.0031746 k( 307) = ( 0.3333333 0.3333333 0.3888889), wk = 0.0031746 k( 308) = ( 0.3333333 0.3333333 0.4027778), wk = 0.0031746 k( 309) = ( 0.3333333 0.3333333 0.4166667), wk = 0.0031746 k( 310) = ( 0.3333333 0.3333333 0.4305556), wk = 0.0031746 k( 311) = ( 0.3333333 0.3333333 0.4444444), wk = 0.0031746 k( 312) = ( 0.3333333 0.3333333 0.4583333), wk = 0.0031746 k( 313) = ( 0.3333333 0.3333333 0.4722222), wk = 0.0031746 k( 314) = ( 0.3333333 0.3333333 0.4861111), wk = 0.0031746 k( 315) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0031746 Dense grid: 67603 G-vectors FFT dimensions: ( 60, 60, 50) Smooth grid: 32437 G-vectors FFT dimensions: ( 45, 45, 40) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.20 Mb ( 230, 58) NL pseudopotentials 0.24 Mb ( 115, 138) Each V/rho on FFT grid 0.11 Mb ( 7200) Each G-vector array 0.01 Mb ( 1880) G-vector shells 0.01 Mb ( 862) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.81 Mb ( 230, 232) Each subspace H/S matrix 0.05 Mb ( 58, 58) Each matrix 0.24 Mb ( 138, 2, 58) Check: negative/imaginary core charge= -0.000005 0.000000 The potential is recalculated from file : ./KCaCO3F.save/charge-density.dat Starting wfc are 72 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 4.6 secs Computing kpt #: 2 total cpu time spent up to now is 5.7 secs Computing kpt #: 3 total cpu time spent up to now is 6.8 secs Computing kpt #: 4 total cpu time spent up to now is 7.8 secs Computing kpt #: 5 total cpu time spent up to now is 8.9 secs Computing kpt #: 6 total cpu time spent up to now is 10.0 secs Computing kpt #: 7 total cpu time spent up to now is 11.1 secs Computing kpt #: 8 total cpu time spent up to now is 12.1 secs Computing kpt #: 9 total cpu time spent up to now is 13.1 secs Computing kpt #: 10 total cpu time spent up to now is 14.1 secs Computing kpt #: 11 total cpu time spent up to now is 15.3 secs Computing kpt #: 12 total cpu time spent up to now is 16.3 secs Computing kpt #: 13 total cpu time spent up to now is 17.3 secs Computing kpt #: 14 total cpu time spent up to now is 18.3 secs Computing kpt #: 15 total cpu time spent up to now is 19.4 secs Computing kpt #: 16 total cpu time spent up to now is 20.4 secs Computing kpt #: 17 total cpu time spent up to now is 21.5 secs Computing kpt #: 18 total cpu time spent up to now is 22.5 secs Computing kpt #: 19 total cpu time spent up to now is 23.6 secs Computing kpt #: 20 total cpu time spent up to now is 24.6 secs Computing kpt #: 21 total cpu time spent up to now is 25.6 secs Computing kpt #: 22 total cpu time spent up to now is 26.7 secs Computing kpt #: 23 total cpu time spent up to now is 27.7 secs Computing kpt #: 24 total cpu time spent up to now is 28.7 secs Computing kpt #: 25 total cpu time spent up to now is 29.8 secs Computing kpt #: 26 total cpu time spent up to now is 30.8 secs Computing kpt #: 27 total cpu time spent up to now is 31.8 secs Computing kpt #: 28 total cpu time spent up to now is 32.8 secs Computing kpt #: 29 total cpu time spent up to now is 33.9 secs Computing kpt #: 30 total cpu time spent up to now is 34.9 secs Computing kpt #: 31 total cpu time spent up to now is 36.1 secs Computing kpt #: 32 total cpu time spent up to now is 37.1 secs Computing kpt #: 33 total cpu time spent up to now is 38.2 secs Computing kpt #: 34 total cpu time spent up to now is 39.2 secs Computing kpt #: 35 total cpu time spent up to now is 40.3 secs Computing kpt #: 36 total cpu time spent up to now is 41.3 secs Computing kpt #: 37 total cpu time spent up to now is 42.3 secs Computing kpt #: 38 total cpu time spent up to now is 43.4 secs Computing kpt #: 39 total cpu time spent up to now is 44.6 secs Computing kpt #: 40 total cpu time spent up to now is 45.7 secs Computing kpt #: 41 total cpu time spent up to now is 46.8 secs Computing kpt #: 42 total cpu time spent up to now is 47.9 secs Computing kpt #: 43 total cpu time spent up to now is 49.0 secs Computing kpt #: 44 total cpu time spent up to now is 50.1 secs Computing kpt #: 45 total cpu time spent up to now is 51.2 secs Computing kpt #: 46 total cpu time spent up to now is 52.3 secs Computing kpt #: 47 total cpu time spent up to now is 53.4 secs Computing kpt #: 48 total cpu time spent up to now is 54.5 secs Computing kpt #: 49 total cpu time spent up to now is 55.6 secs Computing kpt #: 50 total cpu time spent up to now is 56.7 secs Computing kpt #: 51 total cpu time spent up to now is 57.8 secs Computing kpt #: 52 total cpu time spent up to now is 58.9 secs Computing kpt #: 53 total cpu time spent up to now is 60.0 secs Computing kpt #: 54 total cpu time spent up to now is 61.2 secs Computing kpt #: 55 total cpu time spent up to now is 62.3 secs Computing kpt #: 56 total cpu time spent up to now is 63.5 secs Computing kpt #: 57 total cpu time spent up to now is 64.7 secs Computing kpt #: 58 total cpu time spent up to now is 65.8 secs Computing kpt #: 59 total cpu time spent up to now is 66.9 secs Computing kpt #: 60 total cpu time spent up to now is 68.0 secs Computing kpt #: 61 total cpu time spent up to now is 69.2 secs Computing kpt #: 62 total cpu time spent up to now is 70.3 secs Computing kpt #: 63 total cpu time spent up to now is 71.4 secs Computing kpt #: 64 total cpu time spent up to now is 72.6 secs Computing kpt #: 65 total cpu time spent up to now is 73.7 secs Computing kpt #: 66 total cpu time spent up to now is 74.8 secs Computing kpt #: 67 total cpu time spent up to now is 75.8 secs Computing kpt #: 68 total cpu time spent up to now is 76.9 secs Computing kpt #: 69 total cpu time spent up to now is 77.9 secs Computing kpt #: 70 total cpu time spent up to now is 79.0 secs Computing kpt #: 71 total cpu time spent up to now is 80.0 secs Computing kpt #: 72 total cpu time spent up to now is 81.1 secs Computing kpt #: 73 total cpu time spent up to now is 82.1 secs Computing kpt #: 74 total cpu time spent up to now is 83.1 secs Computing kpt #: 75 total cpu time spent up to now is 84.2 secs Computing kpt #: 76 total cpu time spent up to now is 85.2 secs Computing kpt #: 77 total cpu time spent up to now is 86.3 secs Computing kpt #: 78 total cpu time spent up to now is 87.4 secs Computing kpt #: 79 total cpu time spent up to now is 88.5 secs Computing kpt #: 80 total cpu time spent up to now is 89.5 secs Computing kpt #: 81 total cpu time spent up to now is 90.5 secs Computing kpt #: 82 total cpu time spent up to now is 91.5 secs Computing kpt #: 83 total cpu time spent up to now is 92.5 secs Computing kpt #: 84 total cpu time spent up to now is 93.5 secs Computing kpt #: 85 total cpu time spent up to now is 94.5 secs Computing kpt #: 86 total cpu time spent up to now is 95.5 secs Computing kpt #: 87 total cpu time spent up to now is 96.6 secs Computing kpt #: 88 total cpu time spent up to now is 97.6 secs Computing kpt #: 89 total cpu time spent up to now is 98.7 secs Computing kpt #: 90 total cpu time spent up to now is 99.7 secs Computing kpt #: 91 total cpu time spent up to now is 100.8 secs Computing kpt #: 92 total cpu time spent up to now is 101.8 secs Computing kpt #: 93 total cpu time spent up to now is 102.9 secs Computing kpt #: 94 total cpu time spent up to now is 103.9 secs Computing kpt #: 95 total cpu time spent up to now is 105.0 secs Computing kpt #: 96 total cpu time spent up to now is 106.1 secs Computing kpt #: 97 total cpu time spent up to now is 107.2 secs Computing kpt #: 98 total cpu time spent up to now is 108.3 secs Computing kpt #: 99 total cpu time spent up to now is 109.4 secs Computing kpt #: 100 total cpu time spent up to now is 110.5 secs Computing kpt #: 101 total cpu time spent up to now is 111.6 secs Computing kpt #: 102 total cpu time spent up to now is 112.7 secs Computing kpt #: 103 total cpu time spent up to now is 113.8 secs Computing kpt #: 104 total cpu time spent up to now is 114.9 secs Computing kpt #: 105 total cpu time spent up to now is 116.0 secs Computing kpt #: 106 total cpu time spent up to now is 117.1 secs Computing kpt #: 107 total cpu time spent up to now is 118.3 secs Computing kpt #: 108 total cpu time spent up to now is 119.4 secs Computing kpt #: 109 total cpu time spent up to now is 120.6 secs Computing kpt #: 110 total cpu time spent up to now is 121.7 secs Computing kpt #: 111 total cpu time spent up to now is 122.9 secs Computing kpt #: 112 total cpu time spent up to now is 124.1 secs Computing kpt #: 113 total cpu time spent up to now is 125.2 secs Computing kpt #: 114 total cpu time spent up to now is 126.4 secs Computing kpt #: 115 total cpu time spent up to now is 127.5 secs Computing kpt #: 116 total cpu time spent up to now is 128.7 secs Computing kpt #: 117 total cpu time spent up to now is 129.8 secs Computing kpt #: 118 total cpu time spent up to now is 131.0 secs Computing kpt #: 119 total cpu time spent up to now is 132.1 secs Computing kpt #: 120 total cpu time spent up to now is 133.2 secs Computing kpt #: 121 total cpu time spent up to now is 134.4 secs Computing kpt #: 122 total cpu time spent up to now is 135.5 secs Computing kpt #: 123 total cpu time spent up to now is 136.6 secs Computing kpt #: 124 total cpu time spent up to now is 137.8 secs Computing kpt #: 125 total cpu time spent up to now is 138.9 secs Computing kpt #: 126 total cpu time spent up to now is 140.0 secs Computing kpt #: 127 total cpu time spent up to now is 141.2 secs Computing kpt #: 128 total cpu time spent up to now is 142.4 secs Computing kpt #: 129 total cpu time spent up to now is 143.5 secs Computing kpt #: 130 total cpu time spent up to now is 144.5 secs Computing kpt #: 131 total cpu time spent up to now is 145.7 secs Computing kpt #: 132 total cpu time spent up to now is 146.8 secs Computing kpt #: 133 total cpu time spent up to now is 148.0 secs Computing kpt #: 134 total cpu time spent up to now is 149.1 secs Computing kpt #: 135 total cpu time spent up to now is 150.4 secs Computing kpt #: 136 total cpu time spent up to now is 151.5 secs Computing kpt #: 137 total cpu time spent up to now is 152.7 secs Computing kpt #: 138 total cpu time spent up to now is 153.8 secs Computing kpt #: 139 total cpu time spent up to now is 155.0 secs Computing kpt #: 140 total cpu time spent up to now is 156.3 secs Computing kpt #: 141 total cpu time spent up to now is 157.4 secs Computing kpt #: 142 total cpu time spent up to now is 158.6 secs Computing kpt #: 143 total cpu time spent up to now is 159.8 secs Computing kpt #: 144 total cpu time spent up to now is 160.9 secs Computing kpt #: 145 total cpu time spent up to now is 162.0 secs Computing kpt #: 146 total cpu time spent up to now is 163.2 secs Computing kpt #: 147 total cpu time spent up to now is 164.2 secs Computing kpt #: 148 total cpu time spent up to now is 165.3 secs Computing kpt #: 149 total cpu time spent up to now is 166.3 secs Computing kpt #: 150 total cpu time spent up to now is 167.3 secs Computing kpt #: 151 total cpu time spent up to now is 168.3 secs Computing kpt #: 152 total cpu time spent up to now is 169.4 secs Computing kpt #: 153 total cpu time spent up to now is 170.4 secs Computing kpt #: 154 total cpu time spent up to now is 171.4 secs Computing kpt #: 155 total cpu time spent up to now is 172.4 secs Computing kpt #: 156 total cpu time spent up to now is 173.5 secs Computing kpt #: 157 total cpu time spent up to now is 174.8 secs Computing kpt #: 158 total cpu time spent up to now is 175.8 secs Computing kpt #: 159 total cpu time spent up to now is 176.8 secs Computing kpt #: 160 total cpu time spent up to now is 177.8 secs Computing kpt #: 161 total cpu time spent up to now is 178.8 secs Computing kpt #: 162 total cpu time spent up to now is 179.8 secs Computing kpt #: 163 total cpu time spent up to now is 180.8 secs Computing kpt #: 164 total cpu time spent up to now is 181.7 secs Computing kpt #: 165 total cpu time spent up to now is 182.7 secs Computing kpt #: 166 total cpu time spent up to now is 183.7 secs Computing kpt #: 167 total cpu time spent up to now is 184.7 secs Computing kpt #: 168 total cpu time spent up to now is 185.8 secs Computing kpt #: 169 total cpu time spent up to now is 186.8 secs Computing kpt #: 170 total cpu time spent up to now is 187.8 secs Computing kpt #: 171 total cpu time spent up to now is 189.0 secs Computing kpt #: 172 total cpu time spent up to now is 190.2 secs Computing kpt #: 173 total cpu time spent up to now is 191.2 secs Computing kpt #: 174 total cpu time spent up to now is 192.3 secs Computing kpt #: 175 total cpu time spent up to now is 193.4 secs Computing kpt #: 176 total cpu time spent up to now is 194.5 secs Computing kpt #: 177 total cpu time spent up to now is 195.6 secs Computing kpt #: 178 total cpu time spent up to now is 196.7 secs Computing kpt #: 179 total cpu time spent up to now is 197.8 secs Computing kpt #: 180 total cpu time spent up to now is 198.9 secs Computing kpt #: 181 total cpu time spent up to now is 200.0 secs Computing kpt #: 182 total cpu time spent up to now is 201.1 secs Computing kpt #: 183 total cpu time spent up to now is 202.2 secs Computing kpt #: 184 total cpu time spent up to now is 203.4 secs Computing kpt #: 185 total cpu time spent up to now is 204.6 secs Computing kpt #: 186 total cpu time spent up to now is 205.7 secs Computing kpt #: 187 total cpu time spent up to now is 206.9 secs Computing kpt #: 188 total cpu time spent up to now is 208.9 secs Computing kpt #: 189 total cpu time spent up to now is 210.1 secs Computing kpt #: 190 total cpu time spent up to now is 211.5 secs Computing kpt #: 191 total cpu time spent up to now is 212.8 secs Computing kpt #: 192 total cpu time spent up to now is 214.2 secs Computing kpt #: 193 total cpu time spent up to now is 215.5 secs Computing kpt #: 194 total cpu time spent up to now is 216.6 secs Computing kpt #: 195 total cpu time spent up to now is 218.1 secs Computing kpt #: 196 total cpu time spent up to now is 219.4 secs Computing kpt #: 197 total cpu time spent up to now is 221.0 secs Computing kpt #: 198 total cpu time spent up to now is 222.0 secs Computing kpt #: 199 total cpu time spent up to now is 223.2 secs Computing kpt #: 200 total cpu time spent up to now is 224.4 secs Computing kpt #: 201 total cpu time spent up to now is 225.5 secs Computing kpt #: 202 total cpu time spent up to now is 226.8 secs Computing kpt #: 203 total cpu time spent up to now is 228.1 secs Computing kpt #: 204 total cpu time spent up to now is 229.5 secs Computing kpt #: 205 total cpu time spent up to now is 231.1 secs Computing kpt #: 206 total cpu time spent up to now is 232.4 secs Computing kpt #: 207 total cpu time spent up to now is 233.6 secs Computing kpt #: 208 total cpu time spent up to now is 234.9 secs Computing kpt #: 209 total cpu time spent up to now is 236.1 secs Computing kpt #: 210 total cpu time spent up to now is 237.2 secs Computing kpt #: 211 total cpu time spent up to now is 238.4 secs Computing kpt #: 212 total cpu time spent up to now is 239.4 secs Computing kpt #: 213 total cpu time spent up to now is 240.5 secs Computing kpt #: 214 total cpu time spent up to now is 241.5 secs Computing kpt #: 215 total cpu time spent up to now is 242.5 secs Computing kpt #: 216 total cpu time spent up to now is 243.6 secs Computing kpt #: 217 total cpu time spent up to now is 244.6 secs Computing kpt #: 218 total cpu time spent up to now is 245.6 secs Computing kpt #: 219 total cpu time spent up to now is 246.7 secs Computing kpt #: 220 total cpu time spent up to now is 247.8 secs Computing kpt #: 221 total cpu time spent up to now is 248.8 secs Computing kpt #: 222 total cpu time spent up to now is 249.8 secs Computing kpt #: 223 total cpu time spent up to now is 250.8 secs Computing kpt #: 224 total cpu time spent up to now is 251.7 secs Computing kpt #: 225 total cpu time spent up to now is 252.7 secs Computing kpt #: 226 total cpu time spent up to now is 253.8 secs Computing kpt #: 227 total cpu time spent up to now is 254.8 secs Computing kpt #: 228 total cpu time spent up to now is 255.8 secs Computing kpt #: 229 total cpu time spent up to now is 256.8 secs Computing kpt #: 230 total cpu time spent up to now is 257.8 secs Computing kpt #: 231 total cpu time spent up to now is 258.9 secs Computing kpt #: 232 total cpu time spent up to now is 259.9 secs Computing kpt #: 233 total cpu time spent up to now is 261.0 secs Computing kpt #: 234 total cpu time spent up to now is 262.0 secs Computing kpt #: 235 total cpu time spent up to now is 263.1 secs Computing kpt #: 236 total cpu time spent up to now is 264.3 secs Computing kpt #: 237 total cpu time spent up to now is 265.4 secs Computing kpt #: 238 total cpu time spent up to now is 266.6 secs Computing kpt #: 239 total cpu time spent up to now is 267.7 secs Computing kpt #: 240 total cpu time spent up to now is 268.9 secs Computing kpt #: 241 total cpu time spent up to now is 270.1 secs Computing kpt #: 242 total cpu time spent up to now is 271.2 secs Computing kpt #: 243 total cpu time spent up to now is 272.4 secs Computing kpt #: 244 total cpu time spent up to now is 273.5 secs Computing kpt #: 245 total cpu time spent up to now is 274.6 secs Computing kpt #: 246 total cpu time spent up to now is 275.6 secs Computing kpt #: 247 total cpu time spent up to now is 276.7 secs Computing kpt #: 248 total cpu time spent up to now is 277.8 secs Computing kpt #: 249 total cpu time spent up to now is 278.9 secs Computing kpt #: 250 total cpu time spent up to now is 280.1 secs Computing kpt #: 251 total cpu time spent up to now is 281.2 secs Computing kpt #: 252 total cpu time spent up to now is 282.5 secs Computing kpt #: 253 total cpu time spent up to now is 283.7 secs Computing kpt #: 254 total cpu time spent up to now is 284.9 secs Computing kpt #: 255 total cpu time spent up to now is 286.0 secs Computing kpt #: 256 total cpu time spent up to now is 287.2 secs Computing kpt #: 257 total cpu time spent up to now is 288.4 secs Computing kpt #: 258 total cpu time spent up to now is 289.5 secs Computing kpt #: 259 total cpu time spent up to now is 290.7 secs Computing kpt #: 260 total cpu time spent up to now is 291.7 secs Computing kpt #: 261 total cpu time spent up to now is 292.9 secs Computing kpt #: 262 total cpu time spent up to now is 294.0 secs Computing kpt #: 263 total cpu time spent up to now is 295.0 secs Computing kpt #: 264 total cpu time spent up to now is 296.1 secs Computing kpt #: 265 total cpu time spent up to now is 297.3 secs Computing kpt #: 266 total cpu time spent up to now is 298.4 secs Computing kpt #: 267 total cpu time spent up to now is 299.5 secs Computing kpt #: 268 total cpu time spent up to now is 300.7 secs Computing kpt #: 269 total cpu time spent up to now is 301.8 secs Computing kpt #: 270 total cpu time spent up to now is 302.9 secs Computing kpt #: 271 total cpu time spent up to now is 304.0 secs Computing kpt #: 272 total cpu time spent up to now is 305.1 secs Computing kpt #: 273 total cpu time spent up to now is 306.2 secs Computing kpt #: 274 total cpu time spent up to now is 307.3 secs Computing kpt #: 275 total cpu time spent up to now is 308.3 secs Computing kpt #: 276 total cpu time spent up to now is 309.4 secs Computing kpt #: 277 total cpu time spent up to now is 310.5 secs Computing kpt #: 278 total cpu time spent up to now is 311.6 secs Computing kpt #: 279 total cpu time spent up to now is 312.7 secs Computing kpt #: 280 total cpu time spent up to now is 313.8 secs Computing kpt #: 281 total cpu time spent up to now is 314.9 secs Computing kpt #: 282 total cpu time spent up to now is 316.1 secs Computing kpt #: 283 total cpu time spent up to now is 317.2 secs Computing kpt #: 284 total cpu time spent up to now is 318.5 secs Computing kpt #: 285 total cpu time spent up to now is 319.8 secs Computing kpt #: 286 total cpu time spent up to now is 321.1 secs Computing kpt #: 287 total cpu time spent up to now is 322.9 secs Computing kpt #: 288 total cpu time spent up to now is 324.2 secs Computing kpt #: 289 total cpu time spent up to now is 325.5 secs Computing kpt #: 290 total cpu time spent up to now is 326.9 secs Computing kpt #: 291 total cpu time spent up to now is 328.2 secs Computing kpt #: 292 total cpu time spent up to now is 329.7 secs Computing kpt #: 293 total cpu time spent up to now is 331.4 secs Computing kpt #: 294 total cpu time spent up to now is 332.8 secs Computing kpt #: 295 total cpu time spent up to now is 334.4 secs Computing kpt #: 296 total cpu time spent up to now is 335.6 secs Computing kpt #: 297 total cpu time spent up to now is 337.1 secs Computing kpt #: 298 total cpu time spent up to now is 338.5 secs Computing kpt #: 299 total cpu time spent up to now is 339.8 secs Computing kpt #: 300 total cpu time spent up to now is 341.4 secs Computing kpt #: 301 total cpu time spent up to now is 342.6 secs Computing kpt #: 302 total cpu time spent up to now is 344.0 secs Computing kpt #: 303 total cpu time spent up to now is 345.2 secs Computing kpt #: 304 total cpu time spent up to now is 346.9 secs Computing kpt #: 305 total cpu time spent up to now is 348.2 secs Computing kpt #: 306 total cpu time spent up to now is 349.5 secs Computing kpt #: 307 total cpu time spent up to now is 350.8 secs Computing kpt #: 308 total cpu time spent up to now is 352.1 secs Computing kpt #: 309 total cpu time spent up to now is 353.3 secs Computing kpt #: 310 total cpu time spent up to now is 354.6 secs Computing kpt #: 311 total cpu time spent up to now is 355.8 secs Computing kpt #: 312 total cpu time spent up to now is 356.9 secs Computing kpt #: 313 total cpu time spent up to now is 358.1 secs Computing kpt #: 314 total cpu time spent up to now is 359.3 secs Computing kpt #: 315 total cpu time spent up to now is 360.3 secs ethr = 2.08E-08, avg # of iterations = 42.7 total cpu time spent up to now is 360.3 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4075 PWs) bands (ev): -33.9617 -33.9617 -23.5949 -23.5949 -17.5741 -17.5741 -17.2401 -17.2401 -15.3052 -15.3052 -14.9534 -14.9534 -14.9331 -14.9331 -14.2390 -14.2390 -14.2264 -14.2264 -7.3032 -7.3032 -7.0613 -7.0613 -7.0114 -7.0114 -3.5538 -3.5538 -1.2774 -1.2774 -1.2730 -1.2730 -1.2242 -1.2242 1.2944 1.2944 1.3375 1.3375 1.4049 1.4049 2.7735 2.7735 2.8013 2.8013 2.8278 2.8278 2.8282 2.8282 4.3422 4.3422 8.7811 8.7811 10.2761 10.2761 10.5745 10.5745 10.5809 10.5809 11.3958 11.3958 k = 0.0139 0.0080-0.0000 ( 4075 PWs) bands (ev): -33.9617 -33.9617 -23.5949 -23.5949 -17.5742 -17.5742 -17.2401 -17.2401 -15.3053 -15.3053 -14.9535 -14.9535 -14.9334 -14.9334 -14.2387 -14.2387 -14.2260 -14.2260 -7.3032 -7.3032 -7.0613 -7.0613 -7.0114 -7.0114 -3.5526 -3.5526 -1.2777 -1.2777 -1.2732 -1.2732 -1.2243 -1.2243 1.2944 1.2944 1.3375 1.3375 1.4049 1.4049 2.7723 2.7723 2.8001 2.8001 2.8277 2.8277 2.8281 2.8281 4.3407 4.3407 8.7835 8.7835 10.2758 10.2758 10.5754 10.5754 10.5819 10.5819 11.3968 11.3968 k = 0.0278 0.0160-0.0000 ( 4069 PWs) bands (ev): -33.9617 -33.9617 -23.5949 -23.5949 -17.5746 -17.5746 -17.2401 -17.2401 -15.3054 -15.3054 -14.9538 -14.9538 -14.9341 -14.9341 -14.2379 -14.2379 -14.2248 -14.2248 -7.3032 -7.3032 -7.0614 -7.0614 -7.0113 -7.0113 -3.5489 -3.5489 -1.2792 -1.2792 -1.2730 -1.2730 -1.2247 -1.2247 1.2944 1.2944 1.3375 1.3375 1.4047 1.4047 2.7684 2.7684 2.7969 2.7969 2.8275 2.8275 2.8279 2.8279 4.3363 4.3363 8.7905 8.7905 10.2747 10.2747 10.5778 10.5778 10.5852 10.5852 11.3991 11.3991 k = 0.0417 0.0241-0.0000 ( 4067 PWs) bands (ev): -33.9617 -33.9617 -23.5948 -23.5948 -17.5752 -17.5752 -17.2403 -17.2403 -15.3057 -15.3057 -14.9544 -14.9544 -14.9354 -14.9354 -14.2367 -14.2367 -14.2228 -14.2228 -7.3033 -7.3033 -7.0615 -7.0615 -7.0113 -7.0113 -3.5429 -3.5429 -1.2826 -1.2826 -1.2719 -1.2719 -1.2253 -1.2253 1.2944 1.2944 1.3375 1.3375 1.4043 1.4043 2.7608 2.7608 2.7927 2.7927 2.8270 2.8270 2.8278 2.8278 4.3291 4.3291 8.8022 8.8022 10.2730 10.2730 10.5810 10.5810 10.5915 10.5915 11.4011 11.4011 k = 0.0556 0.0321-0.0000 ( 4063 PWs) bands (ev): -33.9617 -33.9617 -23.5948 -23.5948 -17.5761 -17.5761 -17.2404 -17.2404 -15.3061 -15.3061 -14.9552 -14.9552 -14.9370 -14.9370 -14.2352 -14.2352 -14.2198 -14.2198 -7.3033 -7.3033 -7.0616 -7.0616 -7.0112 -7.0112 -3.5345 -3.5345 -1.2877 -1.2877 -1.2699 -1.2699 -1.2261 -1.2261 1.2944 1.2944 1.3375 1.3375 1.4039 1.4039 2.7489 2.7489 2.7882 2.7882 2.8263 2.8263 2.8276 2.8276 4.3191 4.3191 8.8184 8.8184 10.2705 10.2705 10.5848 10.5848 10.6010 10.6010 11.4027 11.4027 k = 0.0694 0.0401-0.0000 ( 4057 PWs) bands (ev): -33.9616 -33.9616 -23.5947 -23.5947 -17.5772 -17.5772 -17.2406 -17.2406 -15.3066 -15.3066 -14.9565 -14.9565 -14.9387 -14.9387 -14.2334 -14.2334 -14.2158 -14.2158 -7.3034 -7.3034 -7.0618 -7.0618 -7.0110 -7.0110 -3.5237 -3.5237 -1.2944 -1.2944 -1.2672 -1.2672 -1.2272 -1.2272 1.2944 1.2944 1.3376 1.3376 1.4033 1.4033 2.7324 2.7324 2.7838 2.7838 2.8254 2.8254 2.8274 2.8274 4.3064 4.3064 8.8392 8.8392 10.2672 10.2672 10.5893 10.5893 10.6135 10.6135 11.4041 11.4041 k = 0.0833 0.0481-0.0000 ( 4057 PWs) bands (ev): -33.9616 -33.9616 -23.5947 -23.5947 -17.5786 -17.5786 -17.2409 -17.2409 -15.3073 -15.3073 -14.9584 -14.9584 -14.9405 -14.9405 -14.2316 -14.2316 -14.2109 -14.2109 -7.3035 -7.3035 -7.0620 -7.0620 -7.0109 -7.0109 -3.5107 -3.5107 -1.3025 -1.3025 -1.2638 -1.2638 -1.2285 -1.2285 1.2943 1.2943 1.3376 1.3376 1.4026 1.4026 2.7115 2.7115 2.7794 2.7794 2.8243 2.8243 2.8271 2.8271 4.2911 4.2911 8.8643 8.8643 10.2631 10.2631 10.5947 10.5947 10.6289 10.6289 11.4056 11.4056 k = 0.0972 0.0561-0.0000 ( 4051 PWs) bands (ev): -33.9616 -33.9616 -23.5946 -23.5946 -17.5801 -17.5801 -17.2412 -17.2412 -15.3080 -15.3080 -14.9609 -14.9609 -14.9421 -14.9421 -14.2296 -14.2296 -14.2050 -14.2050 -7.3036 -7.3036 -7.0622 -7.0622 -7.0107 -7.0107 -3.4954 -3.4954 -1.3121 -1.3121 -1.2599 -1.2599 -1.2300 -1.2300 1.2942 1.2942 1.3377 1.3377 1.4018 1.4018 2.6868 2.6868 2.7748 2.7748 2.8230 2.8230 2.8269 2.8269 4.2734 4.2734 8.8937 8.8937 10.2582 10.2582 10.6008 10.6008 10.6471 10.6471 11.4072 11.4072 k = 0.1111 0.0642-0.0000 ( 4047 PWs) bands (ev): -33.9616 -33.9616 -23.5945 -23.5945 -17.5819 -17.5819 -17.2415 -17.2415 -15.3089 -15.3089 -14.9641 -14.9641 -14.9435 -14.9435 -14.2275 -14.2275 -14.1983 -14.1983 -7.3037 -7.3037 -7.0625 -7.0625 -7.0105 -7.0105 -3.4780 -3.4780 -1.3229 -1.3229 -1.2555 -1.2555 -1.2317 -1.2317 1.2941 1.2941 1.3378 1.3378 1.4008 1.4008 2.6584 2.6584 2.7700 2.7700 2.8216 2.8216 2.8266 2.8266 4.2535 4.2535 8.9272 8.9272 10.2526 10.2526 10.6078 10.6078 10.6680 10.6680 11.4091 11.4091 k = 0.1250 0.0722-0.0000 ( 4043 PWs) bands (ev): -33.9615 -33.9615 -23.5945 -23.5945 -17.5839 -17.5839 -17.2419 -17.2419 -15.3099 -15.3099 -14.9679 -14.9679 -14.9445 -14.9445 -14.2253 -14.2253 -14.1909 -14.1909 -7.3039 -7.3039 -7.0628 -7.0628 -7.0103 -7.0103 -3.4585 -3.4585 -1.3351 -1.3351 -1.2506 -1.2506 -1.2334 -1.2334 1.2940 1.2940 1.3379 1.3379 1.3998 1.3998 2.6267 2.6267 2.7648 2.7648 2.8200 2.8200 2.8264 2.8264 4.2315 4.2315 8.9646 8.9646 10.2461 10.2461 10.6154 10.6154 10.6915 10.6915 11.4112 11.4112 k = 0.1389 0.0802-0.0000 ( 4047 PWs) bands (ev): -33.9615 -33.9615 -23.5944 -23.5944 -17.5860 -17.5860 -17.2423 -17.2423 -15.3111 -15.3111 -14.9723 -14.9723 -14.9454 -14.9454 -14.2229 -14.2229 -14.1829 -14.1829 -7.3040 -7.3040 -7.0631 -7.0631 -7.0100 -7.0100 -3.4370 -3.4370 -1.3484 -1.3484 -1.2454 -1.2454 -1.2352 -1.2352 1.2937 1.2937 1.3381 1.3381 1.3986 1.3986 2.5920 2.5920 2.7592 2.7592 2.8182 2.8182 2.8262 2.8262 4.2077 4.2077 9.0057 9.0057 10.2390 10.2390 10.6238 10.6238 10.7174 10.7174 11.4135 11.4135 k = 0.1528 0.0882-0.0000 ( 4049 PWs) bands (ev): -33.9615 -33.9615 -23.5943 -23.5943 -17.5884 -17.5884 -17.2427 -17.2427 -15.3124 -15.3124 -14.9770 -14.9770 -14.9461 -14.9461 -14.2204 -14.2204 -14.1744 -14.1744 -7.3042 -7.3042 -7.0635 -7.0635 -7.0098 -7.0098 -3.4136 -3.4136 -1.3628 -1.3628 -1.2411 -1.2411 -1.2358 -1.2358 1.2935 1.2935 1.3384 1.3384 1.3973 1.3973 2.5547 2.5547 2.7533 2.7533 2.8164 2.8164 2.8260 2.8260 4.1822 4.1822 9.0505 9.0505 10.2311 10.2311 10.6328 10.6328 10.7456 10.7456 11.4161 11.4161 k = 0.1667 0.0962-0.0000 ( 4055 PWs) bands (ev): -33.9614 -33.9614 -23.5942 -23.5942 -17.5908 -17.5908 -17.2431 -17.2431 -15.3139 -15.3139 -14.9821 -14.9821 -14.9467 -14.9467 -14.2177 -14.2177 -14.1654 -14.1654 -7.3043 -7.3043 -7.0639 -7.0639 -7.0095 -7.0095 -3.3885 -3.3885 -1.3782 -1.3782 -1.2414 -1.2414 -1.2315 -1.2315 1.2931 1.2931 1.3387 1.3387 1.3959 1.3959 2.5149 2.5149 2.7471 2.7471 2.8144 2.8144 2.8258 2.8258 4.1553 4.1553 9.0985 9.0985 10.2226 10.2226 10.6424 10.6424 10.7760 10.7760 11.4190 11.4190 k = 0.1806 0.1042-0.0000 ( 4057 PWs) bands (ev): -33.9614 -33.9614 -23.5941 -23.5941 -17.5934 -17.5934 -17.2436 -17.2436 -15.3154 -15.3154 -14.9873 -14.9873 -14.9471 -14.9471 -14.2149 -14.2149 -14.1561 -14.1561 -7.3045 -7.3045 -7.0642 -7.0642 -7.0092 -7.0092 -3.3616 -3.3616 -1.3946 -1.3946 -1.2435 -1.2435 -1.2251 -1.2251 1.2927 1.2927 1.3391 1.3391 1.3945 1.3945 2.4730 2.4730 2.7405 2.7405 2.8123 2.8123 2.8258 2.8258 4.1272 4.1272 9.1497 9.1497 10.2136 10.2136 10.6524 10.6524 10.8083 10.8083 11.4221 11.4221 k = 0.1944 0.1123-0.0000 ( 4055 PWs) bands (ev): -33.9614 -33.9614 -23.5940 -23.5940 -17.5961 -17.5961 -17.2441 -17.2441 -15.3171 -15.3171 -14.9925 -14.9925 -14.9475 -14.9475 -14.2120 -14.2120 -14.1466 -14.1466 -7.3046 -7.3046 -7.0646 -7.0646 -7.0089 -7.0089 -3.3333 -3.3333 -1.4118 -1.4118 -1.2460 -1.2460 -1.2181 -1.2181 1.2923 1.2923 1.3396 1.3396 1.3929 1.3929 2.4294 2.4294 2.7336 2.7336 2.8101 2.8101 2.8257 2.8257 4.0982 4.0982 9.2037 9.2037 10.2041 10.2041 10.6630 10.6630 10.8424 10.8424 11.4254 11.4254 k = 0.2083 0.1203-0.0000 ( 4051 PWs) bands (ev): -33.9613 -33.9613 -23.5938 -23.5938 -17.5988 -17.5988 -17.2446 -17.2446 -15.3189 -15.3189 -14.9978 -14.9978 -14.9479 -14.9479 -14.2091 -14.2091 -14.1369 -14.1369 -7.3048 -7.3048 -7.0650 -7.0650 -7.0085 -7.0085 -3.3036 -3.3036 -1.4297 -1.4297 -1.2486 -1.2486 -1.2107 -1.2107 1.2918 1.2918 1.3401 1.3401 1.3914 1.3914 2.3843 2.3843 2.7265 2.7265 2.8079 2.8079 2.8258 2.8258 4.0685 4.0685 9.2603 9.2603 10.1942 10.1942 10.6739 10.6739 10.8780 10.8780 11.4289 11.4289 k = 0.2222 0.1283-0.0000 ( 4055 PWs) bands (ev): -33.9613 -33.9613 -23.5937 -23.5937 -17.6017 -17.6017 -17.2451 -17.2451 -15.3209 -15.3209 -15.0029 -15.0029 -14.9483 -14.9483 -14.2060 -14.2060 -14.1271 -14.1271 -7.3050 -7.3050 -7.0654 -7.0654 -7.0082 -7.0082 -3.2727 -3.2727 -1.4483 -1.4483 -1.2514 -1.2514 -1.2031 -1.2031 1.2913 1.2913 1.3407 1.3407 1.3897 1.3897 2.3381 2.3381 2.7193 2.7193 2.8056 2.8056 2.8259 2.8259 4.0384 4.0384 9.3192 9.3192 10.1839 10.1839 10.6851 10.6851 10.9148 10.9148 11.4325 11.4325 k = 0.2361 0.1363-0.0000 ( 4057 PWs) bands (ev): -33.9612 -33.9612 -23.5936 -23.5936 -17.6045 -17.6045 -17.2457 -17.2457 -15.3229 -15.3229 -15.0080 -15.0080 -14.9486 -14.9486 -14.2029 -14.2029 -14.1174 -14.1174 -7.3051 -7.3051 -7.0658 -7.0658 -7.0078 -7.0078 -3.2407 -3.2407 -1.4674 -1.4674 -1.2542 -1.2542 -1.1953 -1.1953 1.2907 1.2907 1.3413 1.3413 1.3880 1.3880 2.2911 2.2911 2.7118 2.7118 2.8033 2.8033 2.8261 2.8261 4.0080 4.0080 9.3802 9.3802 10.1735 10.1735 10.6964 10.6964 10.9527 10.9527 11.4361 11.4361 k = 0.2500 0.1443-0.0000 ( 4057 PWs) bands (ev): -33.9612 -33.9612 -23.5935 -23.5935 -17.6074 -17.6074 -17.2462 -17.2462 -15.3251 -15.3251 -15.0129 -15.0129 -14.9489 -14.9489 -14.1998 -14.1998 -14.1077 -14.1077 -7.3053 -7.3053 -7.0661 -7.0661 -7.0075 -7.0075 -3.2079 -3.2079 -1.4869 -1.4869 -1.2570 -1.2570 -1.1874 -1.1874 1.2902 1.2902 1.3419 1.3419 1.3863 1.3863 2.2436 2.2436 2.7043 2.7043 2.8009 2.8009 2.8263 2.8263 3.9776 3.9776 9.4430 9.4430 10.1629 10.1629 10.7079 10.7079 10.9914 10.9914 11.4398 11.4398 k = 0.2639 0.1524-0.0000 ( 4067 PWs) bands (ev): -33.9612 -33.9612 -23.5934 -23.5934 -17.6103 -17.6103 -17.2467 -17.2467 -15.3273 -15.3273 -15.0177 -15.0177 -14.9492 -14.9492 -14.1967 -14.1967 -14.0982 -14.0982 -7.3054 -7.3054 -7.0665 -7.0665 -7.0071 -7.0071 -3.1744 -3.1744 -1.5067 -1.5067 -1.2599 -1.2599 -1.1793 -1.1793 1.2896 1.2896 1.3425 1.3425 1.3846 1.3846 2.1960 2.1960 2.6967 2.6967 2.7986 2.7986 2.8267 2.8267 3.9475 3.9475 9.5071 9.5071 10.1522 10.1522 10.7194 10.7194 11.0305 11.0305 11.4433 11.4433 k = 0.2778 0.1604-0.0000 ( 4063 PWs) bands (ev): -33.9611 -33.9611 -23.5932 -23.5932 -17.6131 -17.6131 -17.2473 -17.2473 -15.3295 -15.3295 -15.0222 -15.0222 -14.9495 -14.9495 -14.1936 -14.1936 -14.0889 -14.0889 -7.3056 -7.3056 -7.0669 -7.0669 -7.0067 -7.0067 -3.1405 -3.1405 -1.5268 -1.5268 -1.2627 -1.2627 -1.1713 -1.1713 1.2891 1.2891 1.3432 1.3432 1.3829 1.3829 2.1486 2.1486 2.6891 2.6891 2.7963 2.7963 2.8271 2.8271 3.9179 3.9179 9.5723 9.5723 10.1416 10.1416 10.7308 10.7308 11.0699 11.0699 11.4466 11.4466 k = 0.2917 0.1684-0.0000 ( 4059 PWs) bands (ev): -33.9611 -33.9611 -23.5931 -23.5931 -17.6159 -17.6159 -17.2478 -17.2478 -15.3318 -15.3318 -15.0264 -15.0264 -14.9498 -14.9498 -14.1905 -14.1905 -14.0798 -14.0798 -7.3057 -7.3057 -7.0672 -7.0672 -7.0064 -7.0064 -3.1063 -3.1063 -1.5469 -1.5469 -1.2655 -1.2655 -1.1633 -1.1633 1.2885 1.2885 1.3438 1.3438 1.3813 1.3813 2.1017 2.1017 2.6816 2.6816 2.7940 2.7940 2.8275 2.8275 3.8889 3.8889 9.6382 9.6382 10.1311 10.1311 10.7421 10.7421 11.1091 11.1091 11.4497 11.4497 k = 0.3056 0.1764-0.0000 ( 4051 PWs) bands (ev): -33.9610 -33.9610 -23.5930 -23.5930 -17.6186 -17.6186 -17.2483 -17.2483 -15.3341 -15.3341 -15.0303 -15.0303 -14.9500 -14.9500 -14.1875 -14.1875 -14.0711 -14.0711 -7.3058 -7.3058 -7.0675 -7.0675 -7.0060 -7.0060 -3.0722 -3.0722 -1.5669 -1.5669 -1.2682 -1.2682 -1.1555 -1.1555 1.2881 1.2881 1.3444 1.3444 1.3797 1.3797 2.0558 2.0558 2.6743 2.6743 2.7918 2.7918 2.8281 2.8281 3.8608 3.8608 9.7043 9.7043 10.1208 10.1208 10.7532 10.7532 11.1480 11.1480 11.4523 11.4523 k = 0.3194 0.1844-0.0000 ( 4051 PWs) bands (ev): -33.9610 -33.9610 -23.5929 -23.5929 -17.6213 -17.6213 -17.2487 -17.2487 -15.3364 -15.3364 -15.0340 -15.0340 -14.9503 -14.9503 -14.1845 -14.1845 -14.0628 -14.0628 -7.3059 -7.3059 -7.0678 -7.0678 -7.0057 -7.0057 -3.0383 -3.0383 -1.5868 -1.5868 -1.2709 -1.2709 -1.1478 -1.1478 1.2876 1.2876 1.3450 1.3450 1.3781 1.3781 2.0111 2.0111 2.6671 2.6671 2.7897 2.7897 2.8286 2.8286 3.8338 3.8338 9.7703 9.7703 10.1108 10.1108 10.7639 10.7639 11.1861 11.1861 11.4544 11.4544 k = 0.3333 0.1925-0.0000 ( 4051 PWs) bands (ev): -33.9609 -33.9609 -23.5928 -23.5928 -17.6238 -17.6238 -17.2492 -17.2492 -15.3387 -15.3387 -15.0374 -15.0374 -14.9506 -14.9506 -14.1817 -14.1817 -14.0549 -14.0549 -7.3060 -7.3060 -7.0681 -7.0681 -7.0053 -7.0053 -3.0050 -3.0050 -1.6064 -1.6064 -1.2734 -1.2734 -1.1403 -1.1403 1.2873 1.2873 1.3456 1.3456 1.3766 1.3766 1.9679 1.9679 2.6601 2.6601 2.7876 2.7876 2.8292 2.8292 3.8081 3.8081 9.8357 9.8357 10.1012 10.1012 10.7742 10.7742 11.2232 11.2232 11.4559 11.4559 k = 0.3472 0.2005-0.0000 ( 4039 PWs) bands (ev): -33.9609 -33.9609 -23.5927 -23.5927 -17.6262 -17.6262 -17.2496 -17.2496 -15.3409 -15.3409 -15.0405 -15.0405 -14.9508 -14.9508 -14.1790 -14.1790 -14.0474 -14.0474 -7.3061 -7.3061 -7.0684 -7.0684 -7.0050 -7.0050 -2.9725 -2.9725 -1.6255 -1.6255 -1.2759 -1.2759 -1.1332 -1.1332 1.2870 1.2870 1.3460 1.3460 1.3753 1.3753 1.9267 1.9267 2.6534 2.6534 2.7857 2.7857 2.8299 2.8299 3.7838 3.7838 9.8999 9.8999 10.0921 10.0921 10.7840 10.7840 11.2590 11.2590 11.4566 11.4566 k = 0.3611 0.2085-0.0000 ( 4049 PWs) bands (ev): -33.9609 -33.9609 -23.5926 -23.5926 -17.6284 -17.6284 -17.2501 -17.2501 -15.3430 -15.3430 -15.0434 -15.0434 -14.9511 -14.9511 -14.1765 -14.1765 -14.0405 -14.0405 -7.3062 -7.3062 -7.0686 -7.0686 -7.0047 -7.0047 -2.9412 -2.9412 -1.6439 -1.6439 -1.2782 -1.2782 -1.1265 -1.1265 1.2868 1.2868 1.3465 1.3465 1.3740 1.3740 1.8877 1.8877 2.6471 2.6471 2.7839 2.7839 2.8305 2.8305 3.7611 3.7611 9.9623 9.9623 10.0834 10.0834 10.7933 10.7933 11.2929 11.2929 11.4565 11.4565 k = 0.3750 0.2165-0.0000 ( 4041 PWs) bands (ev): -33.9608 -33.9608 -23.5925 -23.5925 -17.6305 -17.6305 -17.2504 -17.2504 -15.3450 -15.3450 -15.0459 -15.0459 -14.9513 -14.9513 -14.1741 -14.1741 -14.0341 -14.0341 -7.3063 -7.3063 -7.0688 -7.0688 -7.0044 -7.0044 -2.9113 -2.9113 -1.6616 -1.6616 -1.2803 -1.2803 -1.1201 -1.1201 1.2867 1.2867 1.3468 1.3468 1.3728 1.3728 1.8512 1.8512 2.6412 2.6412 2.7822 2.7822 2.8311 2.8311 3.7401 3.7401 10.0224 10.0224 10.0754 10.0754 10.8019 10.8019 11.3249 11.3249 11.4555 11.4555 k = 0.3889 0.2245-0.0000 ( 4045 PWs) bands (ev): -33.9608 -33.9608 -23.5924 -23.5924 -17.6324 -17.6324 -17.2508 -17.2508 -15.3468 -15.3468 -15.0482 -15.0482 -14.9515 -14.9515 -14.1719 -14.1719 -14.0283 -14.0283 -7.3064 -7.3064 -7.0690 -7.0690 -7.0041 -7.0041 -2.8833 -2.8833 -1.6782 -1.6782 -1.2823 -1.2823 -1.1143 -1.1143 1.2866 1.2866 1.3471 1.3471 1.3718 1.3718 1.8176 1.8176 2.6358 2.6358 2.7806 2.7806 2.8317 2.8317 3.7210 3.7210 10.0677 10.0677 10.0799 10.0799 10.8098 10.8098 11.3546 11.3546 11.4535 11.4535 k = 0.4028 0.2325-0.0000 ( 4052 PWs) bands (ev): -33.9608 -33.9608 -23.5923 -23.5923 -17.6342 -17.6342 -17.2511 -17.2511 -15.3485 -15.3485 -15.0501 -15.0501 -14.9517 -14.9517 -14.1699 -14.1699 -14.0231 -14.0231 -7.3064 -7.3064 -7.0692 -7.0692 -7.0039 -7.0039 -2.8573 -2.8573 -1.6937 -1.6937 -1.2840 -1.2840 -1.1090 -1.1090 1.2866 1.2866 1.3474 1.3474 1.3709 1.3709 1.7871 1.7871 2.6308 2.6308 2.7792 2.7792 2.8323 2.8323 3.7038 3.7038 10.0613 10.0613 10.1329 10.1329 10.8169 10.8169 11.3815 11.3815 11.4507 11.4507 k = 0.4167 0.2406-0.0000 ( 4052 PWs) bands (ev): -33.9608 -33.9608 -23.5923 -23.5923 -17.6357 -17.6357 -17.2514 -17.2514 -15.3501 -15.3501 -15.0518 -15.0518 -14.9519 -14.9519 -14.1682 -14.1682 -14.0186 -14.0186 -7.3065 -7.3065 -7.0694 -7.0694 -7.0037 -7.0037 -2.8339 -2.8339 -1.7077 -1.7077 -1.2856 -1.2856 -1.1043 -1.1043 1.2867 1.2867 1.3476 1.3476 1.3702 1.3702 1.7600 1.7600 2.6265 2.6265 2.7780 2.7780 2.8328 2.8328 3.6888 3.6888 10.0554 10.0554 10.1816 10.1816 10.8232 10.8232 11.4055 11.4055 11.4473 11.4473 k = 0.4306 0.2486-0.0000 ( 4056 PWs) bands (ev): -33.9607 -33.9607 -23.5922 -23.5922 -17.6370 -17.6370 -17.2516 -17.2516 -15.3514 -15.3514 -15.0533 -15.0533 -14.9520 -14.9520 -14.1667 -14.1667 -14.0147 -14.0147 -7.3065 -7.3065 -7.0695 -7.0695 -7.0035 -7.0035 -2.8134 -2.8134 -1.7200 -1.7200 -1.2869 -1.2869 -1.1003 -1.1003 1.2869 1.2869 1.3477 1.3477 1.3695 1.3695 1.7365 1.7365 2.6227 2.6227 2.7769 2.7769 2.8333 2.8333 3.6759 3.6759 10.0504 10.0504 10.2249 10.2249 10.8287 10.8287 11.4259 11.4259 11.4437 11.4437 k = 0.4444 0.2566-0.0000 ( 4052 PWs) bands (ev): -33.9607 -33.9607 -23.5922 -23.5922 -17.6381 -17.6381 -17.2518 -17.2518 -15.3525 -15.3525 -15.0544 -15.0544 -14.9521 -14.9521 -14.1655 -14.1655 -14.0115 -14.0115 -7.3066 -7.3066 -7.0696 -7.0696 -7.0033 -7.0033 -2.7960 -2.7960 -1.7306 -1.7306 -1.2880 -1.2880 -1.0969 -1.0969 1.2871 1.2871 1.3479 1.3479 1.3690 1.3690 1.7170 1.7170 2.6195 2.6195 2.7760 2.7760 2.8337 2.8337 3.6652 3.6652 10.0462 10.0462 10.2619 10.2619 10.8332 10.8332 11.4369 11.4369 11.4460 11.4460 k = 0.4583 0.2646-0.0000 ( 4052 PWs) bands (ev): -33.9607 -33.9607 -23.5921 -23.5921 -17.6389 -17.6389 -17.2520 -17.2520 -15.3534 -15.3534 -15.0553 -15.0553 -14.9522 -14.9522 -14.1645 -14.1645 -14.0090 -14.0090 -7.3066 -7.3066 -7.0697 -7.0697 -7.0032 -7.0032 -2.7821 -2.7821 -1.7390 -1.7390 -1.2889 -1.2889 -1.0943 -1.0943 1.2872 1.2872 1.3480 1.3480 1.3686 1.3686 1.7016 1.7016 2.6170 2.6170 2.7753 2.7753 2.8340 2.8340 3.6569 3.6569 10.0429 10.0429 10.2918 10.2918 10.8367 10.8367 11.4342 11.4342 11.4585 11.4585 k = 0.4722 0.2726-0.0000 ( 4050 PWs) bands (ev): -33.9607 -33.9607 -23.5921 -23.5921 -17.6395 -17.6395 -17.2521 -17.2521 -15.3540 -15.3540 -15.0559 -15.0559 -14.9523 -14.9523 -14.1638 -14.1638 -14.0072 -14.0072 -7.3066 -7.3066 -7.0698 -7.0698 -7.0031 -7.0031 -2.7720 -2.7720 -1.7451 -1.7451 -1.2895 -1.2895 -1.0923 -1.0923 1.2874 1.2874 1.3480 1.3480 1.3684 1.3684 1.6904 1.6904 2.6152 2.6152 2.7748 2.7748 2.8342 2.8342 3.6509 3.6509 10.0405 10.0405 10.3138 10.3138 10.8393 10.8393 11.4312 11.4312 11.4683 11.4683 k = 0.4861 0.2807-0.0000 ( 4048 PWs) bands (ev): -33.9607 -33.9607 -23.5921 -23.5921 -17.6399 -17.6399 -17.2522 -17.2522 -15.3544 -15.3544 -15.0563 -15.0563 -14.9523 -14.9523 -14.1634 -14.1634 -14.0061 -14.0061 -7.3066 -7.3066 -7.0698 -7.0698 -7.0031 -7.0031 -2.7658 -2.7658 -1.7489 -1.7489 -1.2899 -1.2899 -1.0912 -1.0912 1.2875 1.2875 1.3481 1.3481 1.3682 1.3682 1.6837 1.6837 2.6142 2.6142 2.7745 2.7745 2.8344 2.8344 3.6473 3.6473 10.0391 10.0391 10.3272 10.3272 10.8408 10.8408 11.4292 11.4292 11.4742 11.4742 k = 0.5000 0.2887-0.0000 ( 4056 PWs) bands (ev): -33.9607 -33.9607 -23.5921 -23.5921 -17.6400 -17.6400 -17.2522 -17.2522 -15.3545 -15.3545 -15.0564 -15.0564 -14.9523 -14.9523 -14.1632 -14.1632 -14.0057 -14.0057 -7.3066 -7.3066 -7.0698 -7.0698 -7.0030 -7.0030 -2.7637 -2.7637 -1.7502 -1.7502 -1.2901 -1.2901 -1.0908 -1.0908 1.2875 1.2875 1.3481 1.3481 1.3681 1.3681 1.6814 1.6814 2.6138 2.6138 2.7744 2.7744 2.8344 2.8344 3.6461 3.6461 10.0386 10.0386 10.3317 10.3317 10.8413 10.8413 11.4284 11.4284 11.4762 11.4762 k = 0.5000 0.2887-0.0000 ( 4056 PWs) bands (ev): -33.9607 -33.9607 -23.5921 -23.5921 -17.6400 -17.6400 -17.2522 -17.2522 -15.3545 -15.3545 -15.0564 -15.0564 -14.9523 -14.9523 -14.1632 -14.1632 -14.0057 -14.0057 -7.3066 -7.3066 -7.0698 -7.0698 -7.0030 -7.0030 -2.7637 -2.7637 -1.7502 -1.7502 -1.2901 -1.2901 -1.0908 -1.0908 1.2875 1.2875 1.3481 1.3481 1.3681 1.3681 1.6814 1.6814 2.6138 2.6138 2.7744 2.7744 2.8344 2.8344 3.6461 3.6461 10.0386 10.0386 10.3317 10.3317 10.8413 10.8413 11.4284 11.4284 11.4762 11.4762 k = 0.4921 0.3024-0.0000 ( 4044 PWs) bands (ev): -33.9607 -33.9607 -23.5921 -23.5921 -17.6404 -17.6397 -17.2522 -17.2522 -15.3653 -15.3439 -15.0686 -15.0462 -14.9520 -14.9498 -14.1669 -14.1611 -14.0101 -14.0003 -7.3085 -7.3048 -7.0723 -7.0673 -7.0036 -7.0025 -2.7628 -2.7627 -1.7519 -1.7510 -1.2901 -1.2901 -1.0907 -1.0896 1.2848 1.2900 1.3452 1.3509 1.3679 1.3685 1.6814 1.6823 2.6124 2.6129 2.7745 2.7745 2.8344 2.8344 3.6455 3.6455 10.0374 10.0376 10.3319 10.3320 10.8431 10.8435 11.4305 11.4305 11.4760 11.4762 k = 0.4841 0.3162-0.0000 ( 4048 PWs) bands (ev): -33.9607 -33.9607 -23.5921 -23.5921 -17.6408 -17.6394 -17.2522 -17.2522 -15.3763 -15.3337 -15.0819 -15.0384 -14.9496 -14.9439 -14.1718 -14.1607 -14.0133 -13.9942 -7.3104 -7.3029 -7.0748 -7.0648 -7.0041 -7.0020 -2.7599 -2.7597 -1.7563 -1.7545 -1.2902 -1.2902 -1.0895 -1.0872 1.2821 1.2923 1.3425 1.3537 1.3677 1.3688 1.6823 1.6841 2.6087 2.6097 2.7747 2.7747 2.8343 2.8344 3.6436 3.6437 10.0339 10.0343 10.3323 10.3326 10.8487 10.8495 11.4367 11.4367 11.4754 11.4758 k = 0.4762 0.3299-0.0000 ( 4048 PWs) bands (ev): -33.9607 -33.9607 -23.5921 -23.5921 -17.6413 -17.6392 -17.2523 -17.2523 -15.3873 -15.3240 -15.0957 -15.0333 -14.9456 -14.9347 -14.1778 -14.1622 -14.0151 -13.9875 -7.3122 -7.3011 -7.0773 -7.0624 -7.0045 -7.0014 -2.7552 -2.7549 -1.7632 -1.7606 -1.2904 -1.2904 -1.0870 -1.0836 1.2793 1.2944 1.3400 1.3562 1.3678 1.3692 1.6840 1.6866 2.6027 2.6043 2.7750 2.7750 2.8342 2.8343 3.6407 3.6407 10.0284 10.0289 10.3331 10.3336 10.8581 10.8593 11.4469 11.4469 11.4746 11.4752 k = 0.4683 0.3437-0.0000 ( 4048 PWs) bands (ev): -33.9607 -33.9607 -23.5920 -23.5920 -17.6418 -17.6391 -17.2524 -17.2523 -15.3983 -15.3148 -15.1096 -15.0305 -14.9403 -14.9226 -14.1846 -14.1655 -14.0156 -13.9805 -7.3140 -7.2993 -7.0797 -7.0599 -7.0050 -7.0008 -2.7485 -2.7481 -1.7724 -1.7690 -1.2907 -1.2907 -1.0835 -1.0791 1.2765 1.2962 1.3377 1.3582 1.3684 1.3696 1.6865 1.6901 2.5946 2.5967 2.7754 2.7755 2.8341 2.8342 3.6366 3.6366 10.0211 10.0218 10.3343 10.3350 10.8708 10.8724 11.4605 11.4606 11.4740 11.4748 k = 0.4603 0.3574-0.0000 ( 4050 PWs) bands (ev): -33.9607 -33.9607 -23.5920 -23.5920 -17.6424 -17.6390 -17.2525 -17.2524 -15.4092 -15.3063 -15.1232 -15.0294 -14.9341 -14.9084 -14.1920 -14.1705 -14.0149 -13.9734 -7.3157 -7.2976 -7.0820 -7.0576 -7.0054 -7.0002 -2.7401 -2.7396 -1.7838 -1.7797 -1.2911 -1.2911 -1.0791 -1.0737 1.2737 1.2975 1.3357 1.3593 1.3697 1.3700 1.6898 1.6942 2.5845 2.5872 2.7760 2.7760 2.8339 2.8340 3.6314 3.6315 10.0123 10.0131 10.3359 10.3366 10.8864 10.8884 11.4697 11.4704 11.4816 11.4818 k = 0.4524 0.3712-0.0000 ( 4050 PWs) bands (ev): -33.9607 -33.9607 -23.5920 -23.5920 -17.6430 -17.6390 -17.2526 -17.2525 -15.4198 -15.2985 -15.1363 -15.0293 -14.9271 -14.8928 -14.1998 -14.1770 -14.0132 -13.9663 -7.3174 -7.2959 -7.0843 -7.0553 -7.0058 -6.9997 -2.7299 -2.7293 -1.7972 -1.7924 -1.2916 -1.2916 -1.0739 -1.0676 1.2709 1.2985 1.3341 1.3597 1.3705 1.3719 1.6937 1.6990 2.5726 2.5758 2.7766 2.7766 2.8338 2.8338 3.6254 3.6255 10.0023 10.0032 10.3377 10.3387 10.9046 10.9070 11.4689 11.4700 11.5026 11.5026 k = 0.4444 0.3849-0.0000 ( 4054 PWs) bands (ev): -33.9607 -33.9607 -23.5920 -23.5920 -17.6436 -17.6390 -17.2527 -17.2526 -15.4301 -15.2915 -15.1487 -15.0299 -14.9197 -14.8764 -14.2078 -14.1847 -14.0106 -13.9593 -7.3191 -7.2943 -7.0865 -7.0531 -7.0061 -6.9991 -2.7180 -2.7174 -1.8123 -1.8069 -1.2921 -1.2921 -1.0682 -1.0610 1.2682 1.2989 1.3330 1.3595 1.3710 1.3745 1.6982 1.7045 2.5590 2.5628 2.7772 2.7773 2.8336 2.8337 3.6186 3.6187 9.9914 9.9924 10.3399 10.3410 10.9248 10.9275 11.4670 11.4684 11.5278 11.5280 k = 0.4365 0.3986-0.0000 ( 4052 PWs) bands (ev): -33.9607 -33.9607 -23.5920 -23.5920 -17.6443 -17.6391 -17.2528 -17.2528 -15.4400 -15.2854 -15.1602 -15.0308 -14.9119 -14.8596 -14.2159 -14.1933 -14.0076 -13.9525 -7.3206 -7.2928 -7.0885 -7.0511 -7.0064 -6.9985 -2.7047 -2.7039 -1.8288 -1.8230 -1.2926 -1.2926 -1.0620 -1.0542 1.2655 1.2988 1.3322 1.3589 1.3716 1.3773 1.7032 1.7104 2.5441 2.5485 2.7780 2.7780 2.8334 2.8335 3.6111 3.6113 9.9801 9.9812 10.3424 10.3436 10.9464 10.9496 11.4648 11.4665 11.5566 11.5569 k = 0.4286 0.4124-0.0000 ( 4052 PWs) bands (ev): -33.9607 -33.9607 -23.5919 -23.5919 -17.6450 -17.6392 -17.2529 -17.2529 -15.4494 -15.2803 -15.1707 -15.0319 -14.9038 -14.8428 -14.2240 -14.2025 -14.0041 -13.9460 -7.3221 -7.2913 -7.0905 -7.0491 -7.0067 -6.9980 -2.6900 -2.6892 -1.8466 -1.8403 -1.2932 -1.2932 -1.0557 -1.0471 1.2629 1.2982 1.3317 1.3582 1.3723 1.3803 1.7085 1.7166 2.5281 2.5332 2.7787 2.7788 2.8332 2.8333 3.6032 3.6033 9.9685 9.9697 10.3452 10.3466 10.9691 10.9727 11.4625 11.4644 11.5884 11.5889 k = 0.4206 0.4261-0.0000 ( 4045 PWs) bands (ev): -33.9606 -33.9606 -23.5919 -23.5919 -17.6457 -17.6394 -17.2531 -17.2530 -15.4582 -15.2763 -15.1798 -15.0330 -14.8957 -14.8263 -14.2319 -14.2120 -14.0005 -13.9398 -7.3235 -7.2900 -7.0923 -7.0472 -7.0070 -6.9975 -2.6741 -2.6732 -1.8653 -1.8586 -1.2939 -1.2939 -1.0493 -1.0401 1.2604 1.2973 1.3316 1.3574 1.3731 1.3832 1.7140 1.7231 2.5113 2.5171 2.7794 2.7795 2.8330 2.8332 3.5949 3.5951 9.9571 9.9583 10.3483 10.3498 10.9923 10.9962 11.4601 11.4623 11.6229 11.6236 k = 0.4127 0.4399-0.0000 ( 4047 PWs) bands (ev): -33.9606 -33.9606 -23.5919 -23.5919 -17.6463 -17.6396 -17.2532 -17.2532 -15.4665 -15.2735 -15.1877 -15.0341 -14.8877 -14.8103 -14.2395 -14.2216 -13.9968 -13.9340 -7.3247 -7.2887 -7.0940 -7.0456 -7.0072 -6.9970 -2.6572 -2.6562 -1.8847 -1.8776 -1.2945 -1.2945 -1.0430 -1.0333 1.2581 1.2961 1.3316 1.3566 1.3741 1.3861 1.7196 1.7296 2.4941 2.5005 2.7801 2.7802 2.8329 2.8330 3.5865 3.5867 9.9460 9.9473 10.3516 10.3532 11.0154 11.0197 11.4578 11.4604 11.6598 11.6608 k = 0.4048 0.4536-0.0000 ( 4037 PWs) bands (ev): -33.9606 -33.9606 -23.5919 -23.5919 -17.6470 -17.6398 -17.2533 -17.2533 -15.4741 -15.2719 -15.1940 -15.0351 -14.8799 -14.7950 -14.2467 -14.2311 -13.9933 -13.9287 -7.3259 -7.2875 -7.0956 -7.0440 -7.0073 -6.9965 -2.6396 -2.6386 -1.9044 -1.8970 -1.2952 -1.2952 -1.0369 -1.0267 1.2558 1.2947 1.3318 1.3557 1.3751 1.3889 1.7250 1.7359 2.4769 2.4840 2.7808 2.7809 2.8327 2.8329 3.5781 3.5783 9.9354 9.9367 10.3551 10.3569 11.0379 11.0427 11.4556 11.4585 11.6985 11.6999 k = 0.3968 0.4674-0.0000 ( 4025 PWs) bands (ev): -33.9606 -33.9606 -23.5918 -23.5918 -17.6476 -17.6401 -17.2535 -17.2534 -15.4809 -15.2714 -15.1988 -15.0360 -14.8725 -14.7806 -14.2534 -14.2403 -13.9898 -13.9238 -7.3269 -7.2865 -7.0970 -7.0426 -7.0075 -6.9961 -2.6215 -2.6205 -1.9241 -1.9165 -1.2958 -1.2958 -1.0311 -1.0206 1.2538 1.2932 1.3319 1.3549 1.3762 1.3916 1.7301 1.7420 2.4601 2.4679 2.7814 2.7815 2.8327 2.8328 3.5700 3.5701 9.9256 9.9269 10.3588 10.3607 11.0595 11.0647 11.4537 11.4570 11.7386 11.7404 k = 0.3889 0.4811-0.0000 ( 4027 PWs) bands (ev): -33.9606 -33.9606 -23.5918 -23.5918 -17.6482 -17.6403 -17.2536 -17.2536 -15.4871 -15.2719 -15.2023 -15.0369 -14.8657 -14.7674 -14.2595 -14.2489 -13.9867 -13.9195 -7.3279 -7.2856 -7.0982 -7.0413 -7.0076 -6.9957 -2.6034 -2.6024 -1.9435 -1.9357 -1.2964 -1.2964 -1.0259 -1.0149 1.2518 1.2917 1.3321 1.3540 1.3774 1.3941 1.7348 1.7476 2.4441 2.4526 2.7819 2.7820 2.8326 2.8328 3.5622 3.5624 9.9166 9.9180 10.3626 10.3645 11.0794 11.0851 11.4521 11.4558 11.7794 11.7817 k = 0.3810 0.4949-0.0000 ( 4029 PWs) bands (ev): -33.9606 -33.9606 -23.5918 -23.5918 -17.6488 -17.6406 -17.2537 -17.2537 -15.4925 -15.2731 -15.2046 -15.0376 -14.8596 -14.7555 -14.2649 -14.2568 -13.9839 -13.9157 -7.3287 -7.2848 -7.0993 -7.0403 -7.0078 -6.9954 -2.5857 -2.5847 -1.9622 -1.9541 -1.2970 -1.2970 -1.0211 -1.0099 1.2501 1.2902 1.3322 1.3533 1.3786 1.3964 1.7388 1.7525 2.4293 2.4384 2.7824 2.7825 2.8326 2.8328 3.5550 3.5551 9.9086 9.9100 10.3664 10.3684 11.0974 11.1035 11.4510 11.4550 11.8201 11.8231 k = 0.3730 0.5086-0.0000 ( 4033 PWs) bands (ev): -33.9606 -33.9606 -23.5918 -23.5918 -17.6493 -17.6409 -17.2538 -17.2538 -15.4970 -15.2748 -15.2061 -15.0382 -14.8542 -14.7452 -14.2695 -14.2638 -13.9814 -13.9124 -7.3294 -7.2841 -7.1002 -7.0394 -7.0078 -6.9951 -2.5689 -2.5679 -1.9796 -1.9714 -1.2976 -1.2975 -1.0170 -1.0055 1.2486 1.2889 1.3323 1.3526 1.3797 1.3985 1.7422 1.7566 2.4161 2.4257 2.7827 2.7828 2.8326 2.8328 3.5485 3.5486 9.9017 9.9031 10.3701 10.3722 11.1131 11.1195 11.4504 11.4548 11.8599 11.8637 k = 0.3651 0.5224-0.0000 ( 4037 PWs) bands (ev): -33.9606 -33.9606 -23.5917 -23.5917 -17.6498 -17.6411 -17.2539 -17.2539 -15.5008 -15.2766 -15.2069 -15.0388 -14.8498 -14.7365 -14.2733 -14.2696 -13.9793 -13.9097 -7.3300 -7.2836 -7.1010 -7.0386 -7.0079 -6.9948 -2.5536 -2.5527 -1.9952 -1.9868 -1.2980 -1.2980 -1.0136 -1.0019 1.2473 1.2877 1.3324 1.3520 1.3807 1.4003 1.7447 1.7598 2.4048 2.4150 2.7830 2.7831 2.8326 2.8328 3.5428 3.5430 9.8959 9.8974 10.3737 10.3758 11.1261 11.1328 11.4502 11.4549 11.8978 11.9023 k = 0.3571 0.5361-0.0000 ( 4033 PWs) bands (ev): -33.9606 -33.9606 -23.5917 -23.5917 -17.6501 -17.6413 -17.2540 -17.2540 -15.5037 -15.2782 -15.2073 -15.0392 -14.8462 -14.7297 -14.2763 -14.2743 -13.9776 -13.9075 -7.3304 -7.2832 -7.1016 -7.0380 -7.0080 -6.9946 -2.5405 -2.5396 -2.0084 -1.9999 -1.2984 -1.2984 -1.0108 -0.9990 1.2463 1.2867 1.3324 1.3515 1.3816 1.4017 1.7465 1.7622 2.3958 2.4064 2.7832 2.7833 2.8327 2.8329 3.5383 3.5384 9.8914 9.8929 10.3768 10.3790 11.1363 11.1433 11.4506 11.4555 11.9322 11.9376 k = 0.3492 0.5499-0.0000 ( 4033 PWs) bands (ev): -33.9606 -33.9606 -23.5917 -23.5917 -17.6504 -17.6415 -17.2541 -17.2540 -15.5058 -15.2795 -15.2075 -15.0394 -14.8437 -14.7248 -14.2784 -14.2777 -13.9764 -13.9060 -7.3307 -7.2829 -7.1020 -7.0376 -7.0080 -6.9945 -2.5303 -2.5294 -2.0186 -2.0099 -1.2987 -1.2987 -1.0088 -0.9969 1.2455 1.2860 1.3325 1.3512 1.3823 1.4029 1.7475 1.7636 2.3892 2.4002 2.7833 2.7834 2.8327 2.8329 3.5348 3.5350 9.8882 9.8896 10.3794 10.3816 11.1434 11.1507 11.4512 11.4563 11.9616 11.9675 k = 0.3413 0.5636-0.0000 ( 4031 PWs) bands (ev): -33.9606 -33.9606 -23.5917 -23.5917 -17.6506 -17.6416 -17.2541 -17.2541 -15.5071 -15.2803 -15.2075 -15.0396 -14.8422 -14.7219 -14.2797 -14.2796 -13.9756 -13.9050 -7.3309 -7.2827 -7.1022 -7.0374 -7.0080 -6.9944 -2.5237 -2.5229 -2.0250 -2.0163 -1.2989 -1.2989 -1.0076 -0.9956 1.2451 1.2855 1.3325 1.3510 1.3827 1.4036 1.7479 1.7643 2.3853 2.3964 2.7834 2.7835 2.8328 2.8330 3.5327 3.5329 9.8863 9.8877 10.3811 10.3834 11.1477 11.1550 11.4518 11.4571 11.9834 11.9896 k = 0.3333 0.5774-0.0000 ( 4047 PWs) bands (ev): -33.9606 -33.9606 -23.5917 -23.5917 -17.6506 -17.6416 -17.2541 -17.2541 -15.5075 -15.2806 -15.2076 -15.0397 -14.8417 -14.7210 -14.2803 -14.2801 -13.9754 -13.9047 -7.3310 -7.2826 -7.1023 -7.0373 -7.0080 -6.9944 -2.5214 -2.5206 -2.0273 -2.0185 -1.2989 -1.2989 -1.0072 -0.9952 1.2449 1.2853 1.3325 1.3509 1.3829 1.4038 1.7480 1.7644 2.3839 2.3951 2.7834 2.7835 2.8328 2.8330 3.5320 3.5322 9.8856 9.8870 10.3818 10.3841 11.1490 11.1563 11.4520 11.4573 11.9925 11.9985 k = 0.3333 0.5774-0.0000 ( 4047 PWs) bands (ev): -33.9606 -33.9606 -23.5917 -23.5917 -17.6506 -17.6416 -17.2541 -17.2541 -15.5075 -15.2806 -15.2076 -15.0397 -14.8417 -14.7210 -14.2803 -14.2801 -13.9754 -13.9047 -7.3310 -7.2826 -7.1023 -7.0373 -7.0080 -6.9944 -2.5214 -2.5206 -2.0273 -2.0185 -1.2989 -1.2989 -1.0072 -0.9952 1.2449 1.2853 1.3325 1.3509 1.3829 1.4038 1.7480 1.7644 2.3839 2.3951 2.7834 2.7835 2.8328 2.8330 3.5320 3.5322 9.8856 9.8870 10.3818 10.3841 11.1490 11.1563 11.4520 11.4573 11.9925 11.9985 k = 0.3254 0.5636-0.0000 ( 4039 PWs) bands (ev): -33.9606 -33.9606 -23.5917 -23.5917 -17.6506 -17.6416 -17.2541 -17.2541 -15.5071 -15.2803 -15.2075 -15.0396 -14.8422 -14.7219 -14.2797 -14.2797 -13.9756 -13.9050 -7.3309 -7.2827 -7.1022 -7.0374 -7.0080 -6.9944 -2.5238 -2.5230 -2.0250 -2.0163 -1.2989 -1.2989 -1.0076 -0.9956 1.2451 1.2855 1.3325 1.3510 1.3827 1.4035 1.7480 1.7644 2.3852 2.3964 2.7834 2.7835 2.8327 2.8330 3.5327 3.5329 9.8863 9.8877 10.3810 10.3833 11.1477 11.1550 11.4517 11.4569 11.9826 11.9887 k = 0.3175 0.5499-0.0000 ( 4035 PWs) bands (ev): -33.9606 -33.9606 -23.5917 -23.5917 -17.6504 -17.6414 -17.2541 -17.2540 -15.5058 -15.2794 -15.2075 -15.0394 -14.8436 -14.7246 -14.2786 -14.2779 -13.9764 -13.9060 -7.3307 -7.2829 -7.1020 -7.0376 -7.0080 -6.9945 -2.5309 -2.5301 -2.0182 -2.0095 -1.2987 -1.2987 -1.0088 -0.9969 1.2456 1.2860 1.3325 1.3512 1.3822 1.4028 1.7484 1.7645 2.3890 2.3999 2.7834 2.7835 2.8327 2.8329 3.5351 3.5353 9.8882 9.8896 10.3784 10.3806 11.1439 11.1512 11.4502 11.4553 11.9578 11.9635 k = 0.3095 0.5361-0.0000 ( 4031 PWs) bands (ev): -33.9606 -33.9606 -23.5917 -23.5917 -17.6500 -17.6412 -17.2540 -17.2539 -15.5038 -15.2780 -15.2074 -15.0392 -14.8458 -14.7289 -14.2768 -14.2750 -13.9777 -13.9076 -7.3304 -7.2831 -7.1016 -7.0380 -7.0080 -6.9946 -2.5427 -2.5418 -2.0071 -1.9986 -1.2983 -1.2983 -1.0109 -0.9990 1.2464 1.2869 1.3324 1.3516 1.3814 1.4014 1.7494 1.7651 2.3950 2.4057 2.7833 2.7835 2.8326 2.8328 3.5391 3.5392 9.8914 9.8928 10.3735 10.3757 11.1380 11.1451 11.4472 11.4523 11.9251 11.9299 k = 0.3016 0.5224-0.0000 ( 4031 PWs) bands (ev): -33.9606 -33.9606 -23.5918 -23.5918 -17.6495 -17.6409 -17.2539 -17.2538 -15.5011 -15.2762 -15.2071 -15.0388 -14.8489 -14.7346 -14.2745 -14.2713 -13.9796 -13.9099 -7.3300 -7.2835 -7.1011 -7.0385 -7.0080 -6.9948 -2.5587 -2.5577 -1.9922 -1.9838 -1.2978 -1.2978 -1.0138 -1.0021 1.2476 1.2881 1.3323 1.3522 1.3803 1.3996 1.7515 1.7667 2.4030 2.4133 2.7834 2.7835 2.8324 2.8326 3.5447 3.5449 9.8958 9.8972 10.3659 10.3681 11.1299 11.1369 11.4425 11.4474 11.8882 11.8921 k = 0.2937 0.5086-0.0000 ( 4033 PWs) bands (ev): -33.9606 -33.9606 -23.5918 -23.5918 -17.6489 -17.6404 -17.2538 -17.2537 -15.4976 -15.2740 -15.2067 -15.0383 -14.8525 -14.7416 -14.2718 -14.2669 -13.9820 -13.9128 -7.3295 -7.2840 -7.1004 -7.0391 -7.0079 -6.9951 -2.5784 -2.5774 -1.9742 -1.9659 -1.2971 -1.2971 -1.0174 -1.0059 1.2490 1.2896 1.3320 1.3529 1.3789 1.3972 1.7551 1.7696 2.4128 2.4227 2.7834 2.7835 2.8322 2.8324 3.5521 3.5523 9.9014 9.9029 10.3551 10.3571 11.1200 11.1268 11.4357 11.4404 11.8495 11.8525 k = 0.2857 0.4949-0.0000 ( 4033 PWs) bands (ev): -33.9606 -33.9606 -23.5918 -23.5918 -17.6481 -17.6398 -17.2536 -17.2536 -15.4934 -15.2717 -15.2058 -15.0377 -14.8568 -14.7497 -14.2686 -14.2620 -13.9850 -13.9164 -7.3289 -7.2845 -7.0996 -7.0398 -7.0079 -6.9954 -2.6014 -2.6003 -1.9535 -1.9454 -1.2963 -1.2963 -1.0219 -1.0106 1.2508 1.2915 1.3317 1.3538 1.3774 1.3944 1.7604 1.7742 2.4241 2.4336 2.7835 2.7836 2.8319 2.8321 3.5613 3.5615 9.9082 9.9096 10.3405 10.3424 11.1086 11.1152 11.4267 11.4313 11.8107 11.8129 k = 0.2778 0.4811-0.0000 ( 4033 PWs) bands (ev): -33.9606 -33.9606 -23.5919 -23.5919 -17.6471 -17.6391 -17.2534 -17.2534 -15.4886 -15.2693 -15.2044 -15.0369 -14.8615 -14.7585 -14.2653 -14.2567 -13.9885 -13.9207 -7.3283 -7.2852 -7.0986 -7.0407 -7.0079 -6.9957 -2.6270 -2.6260 -1.9308 -1.9229 -1.2953 -1.2952 -1.0271 -1.0161 1.2529 1.2936 1.3311 1.3548 1.3758 1.3912 1.7678 1.7808 2.4367 2.4458 2.7837 2.7838 2.8316 2.8318 3.5723 3.5724 9.9161 9.9175 10.3217 10.3235 11.0956 11.1020 11.4153 11.4197 11.7731 11.7746 k = 0.2698 0.4674-0.0000 ( 4039 PWs) bands (ev): -33.9606 -33.9606 -23.5919 -23.5919 -17.6460 -17.6382 -17.2532 -17.2531 -15.4831 -15.2671 -15.2023 -15.0361 -14.8665 -14.7681 -14.2617 -14.2513 -13.9927 -13.9256 -7.3275 -7.2859 -7.0976 -7.0416 -7.0079 -6.9961 -2.6550 -2.6539 -1.9065 -1.8988 -1.2941 -1.2941 -1.0330 -1.0223 1.2551 1.2959 1.3303 1.3560 1.3743 1.3878 1.7776 1.7897 2.4504 2.4590 2.7840 2.7841 2.8312 2.8314 3.5850 3.5851 9.9250 9.9264 10.2983 10.2999 11.0813 11.0876 11.4015 11.4058 11.7376 11.7384 k = 0.2619 0.4536-0.0000 ( 4047 PWs) bands (ev): -33.9607 -33.9607 -23.5920 -23.5920 -17.6447 -17.6372 -17.2529 -17.2529 -15.4771 -15.2654 -15.1993 -15.0351 -14.8718 -14.7781 -14.2581 -14.2458 -13.9973 -13.9312 -7.3267 -7.2867 -7.0965 -7.0426 -7.0079 -6.9966 -2.6848 -2.6838 -1.8812 -1.8735 -1.2927 -1.2927 -1.0396 -1.0292 1.2575 1.2984 1.3293 1.3574 1.3730 1.3841 1.7898 1.8011 2.4649 2.4730 2.7843 2.7844 2.8307 2.8309 3.5994 3.5996 9.9348 9.9362 10.2699 10.2715 11.0658 11.0719 11.3853 11.3894 11.7047 11.7050 k = 0.2540 0.4399-0.0000 ( 4049 PWs) bands (ev): -33.9607 -33.9607 -23.5920 -23.5920 -17.6432 -17.6360 -17.2526 -17.2526 -15.4706 -15.2643 -15.1952 -15.0340 -14.8773 -14.7884 -14.2544 -14.2403 -14.0025 -13.9375 -7.3258 -7.2875 -7.0952 -7.0437 -7.0080 -6.9971 -2.7163 -2.7152 -1.8550 -1.8475 -1.2912 -1.2912 -1.0469 -1.0369 1.2600 1.3010 1.3280 1.3588 1.3720 1.3803 1.8047 1.8152 2.4800 2.4876 2.7848 2.7849 2.8303 2.8304 3.6156 3.6158 9.9456 9.9470 10.2366 10.2380 11.0492 11.0551 11.3667 11.3707 11.6748 11.6749 k = 0.2460 0.4261-0.0000 ( 4049 PWs) bands (ev): -33.9607 -33.9607 -23.5921 -23.5921 -17.6415 -17.6347 -17.2523 -17.2523 -15.4636 -15.2638 -15.1899 -15.0328 -14.8828 -14.7990 -14.2508 -14.2350 -14.0083 -13.9444 -7.3248 -7.2884 -7.0939 -7.0448 -7.0080 -6.9976 -2.7490 -2.7480 -1.8283 -1.8210 -1.2895 -1.2895 -1.0548 -1.0451 1.2626 1.3035 1.3266 1.3604 1.3714 1.3766 1.8223 1.8320 2.4955 2.5026 2.7854 2.7855 2.8298 2.8299 3.6335 3.6336 9.9572 9.9586 10.1982 10.1994 11.0317 11.0374 11.3459 11.3497 11.6478 11.6484 k = 0.2381 0.4124-0.0000 ( 4065 PWs) bands (ev): -33.9607 -33.9607 -23.5922 -23.5922 -17.6397 -17.6332 -17.2520 -17.2519 -15.4563 -15.2641 -15.1835 -15.0315 -14.8884 -14.8096 -14.2474 -14.2300 -14.0146 -13.9519 -7.3238 -7.2893 -7.0925 -7.0459 -7.0080 -6.9981 -2.7829 -2.7819 -1.8013 -1.7942 -1.2876 -1.2876 -1.0632 -1.0540 1.2652 1.3058 1.3251 1.3621 1.3712 1.3730 1.8428 1.8517 2.5113 2.5180 2.7860 2.7862 2.8292 2.8294 3.6530 3.6531 9.9695 9.9709 10.1549 10.1559 11.0132 11.0188 11.3228 11.3265 11.6240 11.6250 k = 0.2302 0.3986-0.0000 ( 4063 PWs) bands (ev): -33.9608 -33.9608 -23.5923 -23.5923 -17.6377 -17.6316 -17.2516 -17.2515 -15.4485 -15.2650 -15.1760 -15.0300 -14.8938 -14.8201 -14.2441 -14.2253 -14.0214 -13.9601 -7.3227 -7.2902 -7.0910 -7.0471 -7.0081 -6.9987 -2.8176 -2.8167 -1.7742 -1.7673 -1.2856 -1.2856 -1.0721 -1.0633 1.2677 1.3076 1.3239 1.3638 1.3696 1.3713 1.8660 1.8742 2.5273 2.5335 2.7869 2.7870 2.8287 2.8288 3.6740 3.6741 9.9826 9.9839 10.1071 10.1080 10.9941 10.9995 11.2977 11.3014 11.6032 11.6045 k = 0.2222 0.3849-0.0000 ( 4063 PWs) bands (ev): -33.9608 -33.9608 -23.5924 -23.5924 -17.6355 -17.6298 -17.2512 -17.2511 -15.4405 -15.2664 -15.1676 -15.0283 -14.8992 -14.8305 -14.2410 -14.2209 -14.0287 -13.9688 -7.3217 -7.2912 -7.0895 -7.0483 -7.0081 -6.9993 -2.8530 -2.8522 -1.7471 -1.7404 -1.2835 -1.2835 -1.0814 -1.0730 1.2700 1.3087 1.3232 1.3652 1.3668 1.3718 1.8919 1.8994 2.5432 2.5491 2.7878 2.7879 2.8281 2.8283 3.6966 3.6967 9.9961 9.9975 10.0551 10.0559 10.9742 10.9795 11.2708 11.2743 11.5848 11.5864 k = 0.2143 0.3712-0.0000 ( 4059 PWs) bands (ev): -33.9608 -33.9608 -23.5925 -23.5925 -17.6332 -17.6279 -17.2508 -17.2507 -15.4322 -15.2683 -15.1584 -15.0265 -14.9043 -14.8406 -14.2381 -14.2169 -14.0365 -13.9781 -7.3205 -7.2921 -7.0879 -7.0494 -7.0082 -7.0000 -2.8890 -2.8882 -1.7201 -1.7136 -1.2812 -1.2812 -1.0911 -1.0831 1.2723 1.3089 1.3233 1.3630 1.3679 1.3727 1.9206 1.9274 2.5591 2.5645 2.7889 2.7890 2.8276 2.8278 3.7205 3.7206 9.9992 10.0000 10.0107 10.0119 10.9538 10.9589 11.2422 11.2457 11.5686 11.5703 k = 0.2063 0.3574-0.0000 ( 4063 PWs) bands (ev): -33.9609 -33.9609 -23.5926 -23.5926 -17.6308 -17.6258 -17.2503 -17.2503 -15.4238 -15.2706 -15.1485 -15.0246 -14.9092 -14.8505 -14.2356 -14.2134 -14.0447 -13.9880 -7.3194 -7.2931 -7.0863 -7.0506 -7.0082 -7.0006 -2.9253 -2.9246 -1.6934 -1.6871 -1.2788 -1.2787 -1.1010 -1.0935 1.2744 1.3082 1.3242 1.3604 1.3698 1.3737 1.9518 1.9580 2.5748 2.5798 2.7901 2.7902 2.8271 2.8273 3.7458 3.7459 9.9409 9.9415 10.0249 10.0262 10.9328 10.9378 11.2122 11.2155 11.5539 11.5559 k = 0.1984 0.3437-0.0000 ( 4055 PWs) bands (ev): -33.9609 -33.9609 -23.5927 -23.5927 -17.6282 -17.6236 -17.2498 -17.2498 -15.4153 -15.2730 -15.1380 -15.0225 -14.9139 -14.8599 -14.2333 -14.2103 -14.0533 -13.9983 -7.3183 -7.2940 -7.0847 -7.0518 -7.0083 -7.0012 -2.9619 -2.9613 -1.6670 -1.6610 -1.2762 -1.2762 -1.1112 -1.1040 1.2763 1.3069 1.3255 1.3579 1.3718 1.3750 1.9854 1.9911 2.5902 2.5948 2.7914 2.7915 2.8266 2.8268 3.7722 3.7723 9.8800 9.8805 10.0397 10.0410 10.9116 10.9164 11.1809 11.1841 11.5406 11.5426 k = 0.1905 0.3299-0.0000 ( 4045 PWs) bands (ev): -33.9609 -33.9609 -23.5928 -23.5928 -17.6255 -17.6213 -17.2493 -17.2493 -15.4068 -15.2757 -15.1271 -15.0202 -14.9183 -14.8689 -14.2313 -14.2077 -14.0622 -14.0091 -7.3171 -7.2949 -7.0830 -7.0529 -7.0084 -7.0019 -2.9985 -2.9979 -1.6410 -1.6352 -1.2736 -1.2736 -1.1215 -1.1148 1.2781 1.3055 1.3270 1.3557 1.3738 1.3765 2.0212 2.0264 2.6052 2.6095 2.7928 2.7929 2.8262 2.8263 3.7998 3.7998 9.8172 9.8176 10.0548 10.0560 10.8902 10.8948 11.1486 11.1517 11.5282 11.5303 k = 0.1825 0.3162-0.0000 ( 4047 PWs) bands (ev): -33.9610 -33.9610 -23.5929 -23.5929 -17.6227 -17.6189 -17.2488 -17.2488 -15.3983 -15.2784 -15.1158 -15.0177 -14.9224 -14.8775 -14.2296 -14.2056 -14.0715 -14.0203 -7.3160 -7.2958 -7.0814 -7.0539 -7.0085 -7.0026 -3.0350 -3.0345 -1.6155 -1.6099 -1.2709 -1.2709 -1.1318 -1.1255 1.2797 1.3039 1.3285 1.3536 1.3759 1.3780 2.0590 2.0637 2.6198 2.6238 2.7943 2.7944 2.8258 2.8259 3.8283 3.8283 9.7532 9.7535 10.0700 10.0712 10.8685 10.8730 11.1154 11.1185 11.5165 11.5187 k = 0.1746 0.3024-0.0000 ( 4043 PWs) bands (ev): -33.9610 -33.9610 -23.5930 -23.5930 -17.6199 -17.6164 -17.2483 -17.2483 -15.3899 -15.2812 -15.1043 -15.0151 -14.9262 -14.8854 -14.2283 -14.2040 -14.0811 -14.0319 -7.3149 -7.2967 -7.0798 -7.0550 -7.0086 -7.0032 -3.0714 -3.0709 -1.5904 -1.5852 -1.2681 -1.2681 -1.1422 -1.1363 1.2812 1.3025 1.3299 1.3518 1.3779 1.3797 2.0985 2.1029 2.6340 2.6376 2.7960 2.7961 2.8254 2.8256 3.8576 3.8576 9.6884 9.6887 10.0853 10.0864 10.8469 10.8512 11.0817 11.0847 11.5054 11.5076 k = 0.1667 0.2887-0.0000 ( 4057 PWs) bands (ev): -33.9611 -33.9611 -23.5931 -23.5931 -17.6170 -17.6139 -17.2478 -17.2477 -15.3818 -15.2841 -15.0926 -15.0123 -14.9298 -14.8929 -14.2273 -14.2028 -14.0909 -14.0438 -7.3139 -7.2975 -7.0782 -7.0559 -7.0088 -7.0039 -3.1073 -3.1069 -1.5659 -1.5610 -1.2653 -1.2653 -1.1524 -1.1469 1.2826 1.3012 1.3311 1.3501 1.3799 1.3814 2.1396 2.1435 2.6476 2.6510 2.7977 2.7978 2.8252 2.8253 3.8875 3.8876 9.6234 9.6236 10.1005 10.1016 10.8253 10.8295 11.0475 11.0504 11.4948 11.4970 k = 0.1587 0.2749-0.0000 ( 4049 PWs) bands (ev): -33.9611 -33.9611 -23.5932 -23.5932 -17.6140 -17.6112 -17.2472 -17.2472 -15.3738 -15.2868 -15.0808 -15.0093 -14.9330 -14.8998 -14.2265 -14.2021 -14.1009 -14.0559 -7.3128 -7.2983 -7.0766 -7.0568 -7.0089 -7.0045 -3.1428 -3.1424 -1.5421 -1.5374 -1.2624 -1.2624 -1.1625 -1.1574 1.2839 1.3000 1.3323 1.3486 1.3820 1.3831 2.1818 2.1853 2.6607 2.6638 2.7995 2.7996 2.8249 2.8251 3.9180 3.9180 9.5586 9.5587 10.1155 10.1166 10.8040 10.8081 11.0133 11.0161 11.4847 11.4869 k = 0.1508 0.2612-0.0000 ( 4043 PWs) bands (ev): -33.9612 -33.9612 -23.5934 -23.5934 -17.6110 -17.6085 -17.2467 -17.2467 -15.3662 -15.2894 -15.0690 -15.0061 -14.9358 -14.9060 -14.2261 -14.2018 -14.1110 -14.0682 -7.3118 -7.2990 -7.0751 -7.0576 -7.0090 -7.0052 -3.1776 -3.1773 -1.5189 -1.5145 -1.2595 -1.2595 -1.1725 -1.1677 1.2851 1.2990 1.3332 1.3473 1.3839 1.3849 2.2249 2.2281 2.6732 2.6760 2.8014 2.8015 2.8248 2.8249 3.9488 3.9489 9.4944 9.4945 10.1303 10.1314 10.7831 10.7870 10.9791 10.9818 11.4752 11.4773 k = 0.1429 0.2474-0.0000 ( 4047 PWs) bands (ev): -33.9612 -33.9612 -23.5935 -23.5935 -17.6080 -17.6058 -17.2462 -17.2461 -15.3589 -15.2918 -15.0574 -15.0027 -14.9384 -14.9117 -14.2259 -14.2019 -14.1211 -14.0807 -7.3108 -7.2997 -7.0737 -7.0584 -7.0092 -7.0058 -3.2116 -3.2113 -1.4964 -1.4923 -1.2567 -1.2566 -1.1821 -1.1777 1.2863 1.2981 1.3340 1.3460 1.3858 1.3866 2.2685 2.2714 2.6851 2.6876 2.8033 2.8034 2.8247 2.8248 3.9798 3.9798 9.4313 9.4314 10.1448 10.1458 10.7626 10.7664 10.9451 10.9477 11.4661 11.4682 k = 0.1349 0.2337-0.0000 ( 4045 PWs) bands (ev): -33.9612 -33.9612 -23.5936 -23.5936 -17.6050 -17.6031 -17.2456 -17.2456 -15.3521 -15.2942 -15.0458 -14.9992 -14.9406 -14.9167 -14.2260 -14.2024 -14.1312 -14.0931 -7.3099 -7.3003 -7.0723 -7.0591 -7.0093 -7.0064 -3.2447 -3.2444 -1.4747 -1.4708 -1.2538 -1.2538 -1.1915 -1.1874 1.2873 1.2974 1.3347 1.3448 1.3877 1.3883 2.3124 2.3150 2.6963 2.6987 2.8053 2.8054 2.8247 2.8248 4.0108 4.0108 9.3695 9.3696 10.1588 10.1597 10.7427 10.7464 10.9116 10.9142 11.4577 11.4597 k = 0.1270 0.2199-0.0000 ( 4049 PWs) bands (ev): -33.9613 -33.9613 -23.5937 -23.5937 -17.6020 -17.6004 -17.2451 -17.2451 -15.3457 -15.2963 -15.0346 -14.9955 -14.9426 -14.9212 -14.2263 -14.2033 -14.1412 -14.1055 -7.3090 -7.3008 -7.0709 -7.0597 -7.0095 -7.0069 -3.2767 -3.2765 -1.4538 -1.4502 -1.2510 -1.2510 -1.2005 -1.1967 1.2883 1.2967 1.3352 1.3437 1.3895 1.3900 2.3561 2.3584 2.7070 2.7091 2.8073 2.8073 2.8247 2.8248 4.0415 4.0415 9.3095 9.3096 10.1723 10.1732 10.7237 10.7272 10.8788 10.8813 11.4497 11.4517 k = 0.1190 0.2062-0.0000 ( 4045 PWs) bands (ev): -33.9613 -33.9613 -23.5939 -23.5939 -17.5991 -17.5977 -17.2446 -17.2445 -15.3397 -15.2982 -15.0236 -14.9917 -14.9442 -14.9250 -14.2267 -14.2045 -14.1510 -14.1178 -7.3082 -7.3013 -7.0697 -7.0602 -7.0096 -7.0075 -3.3075 -3.3073 -1.4338 -1.4305 -1.2483 -1.2482 -1.2091 -1.2056 1.2892 1.2963 1.3357 1.3427 1.3912 1.3916 2.3994 2.4015 2.7170 2.7189 2.8093 2.8093 2.8248 2.8249 4.0719 4.0719 9.2515 9.2515 10.1852 10.1860 10.7055 10.7088 10.8468 10.8493 11.4425 11.4443 k = 0.1111 0.1925-0.0000 ( 4041 PWs) bands (ev): -33.9614 -33.9614 -23.5940 -23.5940 -17.5962 -17.5951 -17.2441 -17.2440 -15.3342 -15.2999 -15.0131 -14.9878 -14.9456 -14.9283 -14.2274 -14.2060 -14.1606 -14.1298 -7.3075 -7.3017 -7.0685 -7.0606 -7.0098 -7.0080 -3.3370 -3.3368 -1.4148 -1.4117 -1.2457 -1.2456 -1.2172 -1.2140 1.2901 1.2959 1.3360 1.3418 1.3929 1.3932 2.4419 2.4438 2.7263 2.7280 2.8112 2.8113 2.8250 2.8251 4.1016 4.1016 9.1958 9.1959 10.1973 10.1981 10.6882 10.6914 10.8159 10.8183 11.4359 11.4376 k = 0.1032 0.1787-0.0000 ( 4045 PWs) bands (ev): -33.9614 -33.9614 -23.5941 -23.5941 -17.5935 -17.5926 -17.2436 -17.2435 -15.3293 -15.3014 -15.0031 -14.9838 -14.9467 -14.9311 -14.2282 -14.2078 -14.1698 -14.1416 -7.3068 -7.3021 -7.0674 -7.0609 -7.0099 -7.0085 -3.3650 -3.3649 -1.3967 -1.3939 -1.2432 -1.2431 -1.2248 -1.2219 1.2909 1.2956 1.3363 1.3410 1.3945 1.3947 2.4832 2.4849 2.7350 2.7365 2.8132 2.8132 2.8251 2.8253 4.1305 4.1305 9.1427 9.1427 10.2087 10.2094 10.6721 10.6751 10.7862 10.7885 11.4299 11.4316 k = 0.0952 0.1650-0.0000 ( 4047 PWs) bands (ev): -33.9614 -33.9614 -23.5942 -23.5942 -17.5909 -17.5901 -17.2431 -17.2431 -15.3249 -15.3026 -14.9937 -14.9798 -14.9475 -14.9334 -14.2291 -14.2098 -14.1786 -14.1529 -7.3062 -7.3024 -7.0664 -7.0612 -7.0101 -7.0089 -3.3915 -3.3914 -1.3797 -1.3771 -1.2411 -1.2410 -1.2317 -1.2291 1.2916 1.2953 1.3366 1.3403 1.3960 1.3961 2.5231 2.5246 2.7430 2.7444 2.8151 2.8151 2.8254 2.8255 4.1583 4.1583 9.0925 9.0925 10.2193 10.2199 10.6572 10.6600 10.7579 10.7600 11.4247 11.4263 k = 0.0873 0.1512-0.0000 ( 4043 PWs) bands (ev): -33.9615 -33.9615 -23.5943 -23.5943 -17.5884 -17.5878 -17.2426 -17.2426 -15.3210 -15.3036 -14.9850 -14.9758 -14.9479 -14.9352 -14.2300 -14.2121 -14.1869 -14.1638 -7.3056 -7.3027 -7.0655 -7.0614 -7.0103 -7.0093 -3.4163 -3.4162 -1.3637 -1.3615 -1.2410 -1.2403 -1.2361 -1.2344 1.2922 1.2951 1.3368 1.3396 1.3974 1.3975 2.5612 2.5625 2.7505 2.7517 2.8169 2.8170 2.8256 2.8258 4.1849 4.1849 9.0453 9.0453 10.2289 10.2295 10.6435 10.6461 10.7312 10.7332 11.4201 11.4216 k = 0.0794 0.1375-0.0000 ( 4039 PWs) bands (ev): -33.9615 -33.9615 -23.5944 -23.5944 -17.5860 -17.5856 -17.2422 -17.2422 -15.3176 -15.3044 -14.9772 -14.9719 -14.9481 -14.9365 -14.2310 -14.2146 -14.1945 -14.1740 -7.3051 -7.3029 -7.0646 -7.0616 -7.0104 -7.0097 -3.4393 -3.4392 -1.3490 -1.3470 -1.2459 -1.2442 -1.2352 -1.2348 1.2928 1.2950 1.3369 1.3391 1.3986 1.3987 2.5971 2.5982 2.7573 2.7583 2.8186 2.8187 2.8259 2.8260 4.2101 4.2101 9.0014 9.0014 10.2377 10.2381 10.6312 10.6335 10.7061 10.7080 11.4161 11.4175 k = 0.0714 0.1237-0.0000 ( 4043 PWs) bands (ev): -33.9615 -33.9615 -23.5945 -23.5945 -17.5839 -17.5835 -17.2418 -17.2418 -15.3147 -15.3050 -14.9703 -14.9682 -14.9478 -14.9374 -14.2320 -14.2174 -14.2014 -14.1836 -7.3047 -7.3030 -7.0639 -7.0616 -7.0106 -7.0100 -3.4604 -3.4603 -1.3355 -1.3337 -1.2513 -1.2496 -1.2333 -1.2332 1.2932 1.2948 1.3371 1.3386 1.3998 1.3999 2.6306 2.6315 2.7635 2.7644 2.8203 2.8203 2.8262 2.8263 4.2336 4.2336 8.9610 8.9610 10.2455 10.2458 10.6201 10.6223 10.6829 10.6847 11.4127 11.4140 k = 0.0635 0.1100-0.0000 ( 4047 PWs) bands (ev): -33.9616 -33.9616 -23.5946 -23.5946 -17.5819 -17.5816 -17.2415 -17.2415 -15.3123 -15.3054 -14.9647 -14.9646 -14.9469 -14.9379 -14.2330 -14.2204 -14.2073 -14.1925 -7.3043 -7.3031 -7.0633 -7.0617 -7.0107 -7.0103 -3.4795 -3.4795 -1.3232 -1.3216 -1.2562 -1.2547 -1.2315 -1.2315 1.2936 1.2947 1.3372 1.3383 1.4009 1.4009 2.6612 2.6621 2.7692 2.7700 2.8218 2.8218 2.8265 2.8266 4.2552 4.2552 8.9243 8.9243 10.2523 10.2526 10.6105 10.6124 10.6617 10.6634 11.4099 11.4110 k = 0.0556 0.0962-0.0000 ( 4043 PWs) bands (ev): -33.9616 -33.9616 -23.5946 -23.5946 -17.5801 -17.5799 -17.2411 -17.2411 -15.3103 -15.3056 -14.9617 -14.9603 -14.9453 -14.9379 -14.2340 -14.2238 -14.2123 -14.2005 -7.3040 -7.3032 -7.0628 -7.0617 -7.0108 -7.0106 -3.4966 -3.4966 -1.3122 -1.3109 -1.2606 -1.2593 -1.2299 -1.2298 1.2939 1.2947 1.3373 1.3380 1.4018 1.4018 2.6888 2.6895 2.7744 2.7750 2.8231 2.8232 2.8268 2.8269 4.2748 4.2748 8.8914 8.8914 10.2582 10.2584 10.6022 10.6038 10.6427 10.6442 11.4076 11.4085 k = 0.0476 0.0825-0.0000 ( 4055 PWs) bands (ev): -33.9616 -33.9616 -23.5947 -23.5947 -17.5785 -17.5784 -17.2409 -17.2409 -15.3087 -15.3057 -14.9591 -14.9576 -14.9430 -14.9376 -14.2349 -14.2273 -14.2162 -14.2076 -7.3038 -7.3033 -7.0623 -7.0616 -7.0110 -7.0108 -3.5116 -3.5116 -1.3027 -1.3015 -1.2645 -1.2634 -1.2284 -1.2284 1.2941 1.2946 1.3373 1.3378 1.4026 1.4026 2.7129 2.7135 2.7791 2.7797 2.8244 2.8244 2.8271 2.8271 4.2921 4.2921 8.8626 8.8626 10.2632 10.2633 10.5951 10.5965 10.6259 10.6272 11.4056 11.4064 k = 0.0397 0.0687-0.0000 ( 4055 PWs) bands (ev): -33.9616 -33.9616 -23.5948 -23.5948 -17.5772 -17.5771 -17.2406 -17.2406 -15.3074 -15.3057 -14.9570 -14.9559 -14.9403 -14.9369 -14.2357 -14.2306 -14.2193 -14.2136 -7.3036 -7.3033 -7.0620 -7.0616 -7.0111 -7.0110 -3.5244 -3.5243 -1.2945 -1.2936 -1.2677 -1.2668 -1.2272 -1.2271 1.2942 1.2945 1.3374 1.3377 1.4033 1.4033 2.7332 2.7336 2.7837 2.7841 2.8254 2.8255 2.8273 2.8274 4.3071 4.3071 8.8380 8.8380 10.2673 10.2674 10.5892 10.5904 10.6116 10.6127 11.4040 11.4047 k = 0.0317 0.0550-0.0000 ( 4063 PWs) bands (ev): -33.9617 -33.9617 -23.5948 -23.5948 -17.5761 -17.5760 -17.2404 -17.2404 -15.3065 -15.3056 -14.9555 -14.9549 -14.9378 -14.9360 -14.2366 -14.2336 -14.2217 -14.2185 -7.3034 -7.3033 -7.0617 -7.0615 -7.0112 -7.0112 -3.5349 -3.5349 -1.2878 -1.2871 -1.2703 -1.2696 -1.2261 -1.2261 1.2943 1.2945 1.3375 1.3376 1.4039 1.4039 2.7494 2.7496 2.7882 2.7884 2.8263 2.8263 2.8276 2.8276 4.3196 4.3196 8.8177 8.8177 10.2705 10.2706 10.5845 10.5854 10.5998 10.6007 11.4025 11.4030 k = 0.0238 0.0412-0.0000 ( 4067 PWs) bands (ev): -33.9617 -33.9617 -23.5948 -23.5948 -17.5752 -17.5752 -17.2403 -17.2403 -15.3059 -15.3055 -14.9545 -14.9542 -14.9357 -14.9349 -14.2374 -14.2360 -14.2236 -14.2222 -7.3033 -7.3033 -7.0615 -7.0614 -7.0113 -7.0113 -3.5431 -3.5431 -1.2827 -1.2822 -1.2722 -1.2717 -1.2253 -1.2253 1.2944 1.2944 1.3375 1.3376 1.4043 1.4044 2.7611 2.7612 2.7927 2.7928 2.8270 2.8270 2.8278 2.8278 4.3294 4.3294 8.8018 8.8018 10.2730 10.2730 10.5807 10.5813 10.5909 10.5914 11.4009 11.4013 k = 0.0159 0.0275-0.0000 ( 4067 PWs) bands (ev): -33.9617 -33.9617 -23.5949 -23.5949 -17.5746 -17.5746 -17.2401 -17.2401 -15.3055 -15.3054 -14.9538 -14.9538 -14.9342 -14.9340 -14.2381 -14.2377 -14.2251 -14.2246 -7.3033 -7.3032 -7.0614 -7.0614 -7.0113 -7.0113 -3.5490 -3.5490 -1.2793 -1.2790 -1.2731 -1.2729 -1.2247 -1.2247 1.2944 1.2944 1.3375 1.3375 1.4047 1.4047 2.7685 2.7685 2.7970 2.7970 2.8275 2.8275 2.8279 2.8280 4.3364 4.3364 8.7903 8.7903 10.2748 10.2748 10.5777 10.5779 10.5850 10.5852 11.3990 11.3991 k = 0.0079 0.0137-0.0000 ( 4075 PWs) bands (ev): -33.9617 -33.9617 -23.5949 -23.5949 -17.5742 -17.5742 -17.2401 -17.2401 -15.3053 -15.3052 -14.9535 -14.9535 -14.9334 -14.9334 -14.2388 -14.2387 -14.2260 -14.2260 -7.3032 -7.3032 -7.0613 -7.0613 -7.0114 -7.0114 -3.5526 -3.5526 -1.2777 -1.2777 -1.2732 -1.2731 -1.2243 -1.2243 1.2944 1.2944 1.3375 1.3375 1.4049 1.4049 2.7723 2.7723 2.8001 2.8001 2.8277 2.8277 2.8281 2.8281 4.3407 4.3407 8.7834 8.7834 10.2758 10.2758 10.5754 10.5754 10.5818 10.5819 11.3968 11.3968 k = 0.0000 0.0000 0.0000 ( 4075 PWs) bands (ev): -33.9617 -33.9617 -23.5949 -23.5949 -17.5741 -17.5741 -17.2401 -17.2401 -15.3052 -15.3052 -14.9534 -14.9534 -14.9331 -14.9331 -14.2390 -14.2390 -14.2264 -14.2264 -7.3032 -7.3032 -7.0613 -7.0613 -7.0114 -7.0114 -3.5538 -3.5538 -1.2774 -1.2774 -1.2730 -1.2730 -1.2242 -1.2242 1.2944 1.2944 1.3375 1.3375 1.4049 1.4049 2.7735 2.7735 2.8013 2.8013 2.8278 2.8278 2.8282 2.8282 4.3422 4.3422 8.7811 8.7811 10.2761 10.2761 10.5745 10.5745 10.5809 10.5809 11.3958 11.3958 k = 0.0000 0.0000 0.0000 ( 4075 PWs) bands (ev): -33.9617 -33.9617 -23.5949 -23.5949 -17.5741 -17.5741 -17.2401 -17.2401 -15.3052 -15.3052 -14.9534 -14.9534 -14.9331 -14.9331 -14.2390 -14.2390 -14.2264 -14.2264 -7.3032 -7.3032 -7.0613 -7.0613 -7.0114 -7.0114 -3.5538 -3.5538 -1.2774 -1.2774 -1.2730 -1.2730 -1.2242 -1.2242 1.2944 1.2944 1.3375 1.3375 1.4049 1.4049 2.7735 2.7735 2.8013 2.8013 2.8278 2.8278 2.8282 2.8282 4.3422 4.3422 8.7811 8.7811 10.2761 10.2761 10.5745 10.5745 10.5809 10.5809 11.3958 11.3958 k = 0.0000 0.0000 0.0159 ( 4075 PWs) bands (ev): -33.9617 -33.9617 -23.5949 -23.5949 -17.5741 -17.5741 -17.2414 -17.2414 -15.3044 -15.3044 -14.9523 -14.9523 -14.9331 -14.9331 -14.2390 -14.2390 -14.2264 -14.2264 -7.3033 -7.3033 -7.0613 -7.0613 -7.0117 -7.0117 -3.5530 -3.5530 -1.2776 -1.2775 -1.2731 -1.2731 -1.2247 -1.2247 1.2941 1.2941 1.3373 1.3373 1.4029 1.4029 2.7734 2.7734 2.8010 2.8013 2.8279 2.8279 2.8282 2.8284 4.3422 4.3422 8.7837 8.7837 10.2751 10.2751 10.5753 10.5753 10.5816 10.5818 11.3957 11.3960 k = 0.0000 0.0000 0.0318 ( 4075 PWs) bands (ev): -33.9617 -33.9617 -23.5948 -23.5948 -17.5742 -17.5742 -17.2454 -17.2454 -15.3022 -15.3022 -14.9490 -14.9490 -14.9331 -14.9331 -14.2389 -14.2389 -14.2263 -14.2263 -7.3036 -7.3036 -7.0614 -7.0614 -7.0126 -7.0126 -3.5508 -3.5508 -1.2780 -1.2779 -1.2736 -1.2736 -1.2263 -1.2263 1.2932 1.2932 1.3367 1.3367 1.3969 1.3969 2.7731 2.7731 2.8005 2.8010 2.8284 2.8284 2.8286 2.8290 4.3422 4.3422 8.7913 8.7913 10.2721 10.2721 10.5778 10.5778 10.5840 10.5844 11.3955 11.3962 k = 0.0000 0.0000 0.0477 ( 4081 PWs) bands (ev): -33.9616 -33.9616 -23.5948 -23.5948 -17.5743 -17.5743 -17.2520 -17.2520 -15.2986 -15.2986 -14.9435 -14.9435 -14.9330 -14.9330 -14.2388 -14.2388 -14.2262 -14.2262 -7.3041 -7.3041 -7.0616 -7.0616 -7.0140 -7.0140 -3.5472 -3.5472 -1.2788 -1.2786 -1.2743 -1.2743 -1.2289 -1.2289 1.2917 1.2917 1.3356 1.3356 1.3870 1.3870 2.7725 2.7725 2.7998 2.8005 2.8291 2.8291 2.8294 2.8299 4.3422 4.3422 8.8039 8.8039 10.2672 10.2672 10.5818 10.5818 10.5880 10.5885 11.3954 11.3964 k = 0.0000 0.0000 0.0636 ( 4081 PWs) bands (ev): -33.9615 -33.9615 -23.5947 -23.5947 -17.5744 -17.5744 -17.2611 -17.2611 -15.2938 -15.2938 -14.9358 -14.9358 -14.9330 -14.9330 -14.2387 -14.2387 -14.2261 -14.2261 -7.3048 -7.3048 -7.0618 -7.0618 -7.0160 -7.0160 -3.5421 -3.5421 -1.2798 -1.2796 -1.2753 -1.2753 -1.2326 -1.2326 1.2895 1.2895 1.3341 1.3341 1.3734 1.3734 2.7717 2.7717 2.7988 2.7997 2.8301 2.8301 2.8304 2.8310 4.3423 4.3423 8.8216 8.8216 10.2603 10.2603 10.5874 10.5874 10.5936 10.5943 11.3953 11.3966 k = 0.0000 0.0000 0.0795 ( 4069 PWs) bands (ev): -33.9615 -33.9615 -23.5946 -23.5946 -17.5747 -17.5747 -17.2725 -17.2725 -15.2880 -15.2880 -14.9329 -14.9329 -14.9256 -14.9256 -14.2385 -14.2385 -14.2259 -14.2259 -7.3056 -7.3056 -7.0620 -7.0620 -7.0185 -7.0185 -3.5357 -3.5357 -1.2811 -1.2809 -1.2765 -1.2765 -1.2372 -1.2372 1.2862 1.2862 1.3322 1.3322 1.3566 1.3566 2.7706 2.7706 2.7977 2.7987 2.8314 2.8314 2.8317 2.8324 4.3424 4.3424 8.8441 8.8441 10.2517 10.2517 10.5946 10.5946 10.6007 10.6017 11.3953 11.3969 k = 0.0000 0.0000 0.0954 ( 4033 PWs) bands (ev): -33.9613 -33.9613 -23.5944 -23.5944 -17.5749 -17.5749 -17.2860 -17.2860 -15.2814 -15.2814 -14.9327 -14.9327 -14.9130 -14.9130 -14.2383 -14.2383 -14.2257 -14.2257 -7.3066 -7.3066 -7.0623 -7.0622 -7.0215 -7.0215 -3.5279 -3.5279 -1.2826 -1.2823 -1.2780 -1.2780 -1.2428 -1.2428 1.2813 1.2813 1.3299 1.3300 1.3374 1.3374 2.7694 2.7694 2.7964 2.7975 2.8329 2.8329 2.8334 2.8341 4.3425 4.3425 8.8713 8.8713 10.2414 10.2414 10.6034 10.6034 10.6095 10.6106 11.3952 11.3972 k = 0.0000 0.0000 0.1113 ( 4021 PWs) bands (ev): -33.9612 -33.9612 -23.5943 -23.5943 -17.5752 -17.5752 -17.3015 -17.3015 -15.2744 -15.2744 -14.9326 -14.9326 -14.8981 -14.8981 -14.2380 -14.2380 -14.2255 -14.2255 -7.3078 -7.3078 -7.0626 -7.0626 -7.0249 -7.0249 -3.5189 -3.5189 -1.2844 -1.2841 -1.2798 -1.2798 -1.2493 -1.2493 1.2728 1.2728 1.3179 1.3179 1.3272 1.3273 2.7680 2.7680 2.7950 2.7962 2.8346 2.8346 2.8352 2.8360 4.3426 4.3426 8.9032 8.9032 10.2295 10.2295 10.6135 10.6135 10.6197 10.6210 11.3951 11.3974 k = 0.0000 0.0000 0.1272 ( 4027 PWs) bands (ev): -33.9611 -33.9611 -23.5941 -23.5941 -17.5756 -17.5756 -17.3188 -17.3188 -15.2673 -15.2673 -14.9325 -14.9325 -14.8808 -14.8808 -14.2377 -14.2377 -14.2253 -14.2253 -7.3093 -7.3093 -7.0630 -7.0630 -7.0288 -7.0288 -3.5086 -3.5086 -1.2864 -1.2861 -1.2818 -1.2818 -1.2566 -1.2566 1.2571 1.2571 1.3020 1.3020 1.3242 1.3243 2.7665 2.7665 2.7934 2.7946 2.8366 2.8366 2.8373 2.8380 4.3427 4.3427 8.9396 8.9396 10.2164 10.2164 10.6250 10.6250 10.6311 10.6326 11.3950 11.3975 k = 0.0000 0.0000 0.1431 ( 4027 PWs) bands (ev): -33.9610 -33.9610 -23.5939 -23.5939 -17.5760 -17.5760 -17.3375 -17.3375 -15.2603 -15.2603 -14.9323 -14.9323 -14.8611 -14.8611 -14.2374 -14.2374 -14.2250 -14.2250 -7.3109 -7.3109 -7.0635 -7.0634 -7.0331 -7.0331 -3.4972 -3.4972 -1.2887 -1.2883 -1.2841 -1.2841 -1.2647 -1.2647 1.2324 1.2324 1.2918 1.2918 1.3209 1.3209 2.7648 2.7648 2.7917 2.7929 2.8388 2.8388 2.8396 2.8403 4.3428 4.3428 8.9803 8.9803 10.2020 10.2020 10.6378 10.6378 10.6439 10.6456 11.3948 11.3977 k = 0.0000 0.0000 0.1590 ( 4027 PWs) bands (ev): -33.9608 -33.9608 -23.5937 -23.5937 -17.5766 -17.5766 -17.3574 -17.3574 -15.2534 -15.2534 -14.9322 -14.9322 -14.8392 -14.8392 -14.2370 -14.2370 -14.2247 -14.2247 -7.3126 -7.3126 -7.0639 -7.0639 -7.0377 -7.0377 -3.4848 -3.4848 -1.2911 -1.2907 -1.2868 -1.2868 -1.2733 -1.2733 1.2013 1.2013 1.2849 1.2849 1.3172 1.3173 2.7629 2.7629 2.7898 2.7910 2.8411 2.8411 2.8421 2.8428 4.3430 4.3430 9.0251 9.0251 10.1868 10.1868 10.6518 10.6518 10.6580 10.6598 11.3946 11.3977 k = 0.0000 0.0000 0.1749 ( 4027 PWs) bands (ev): -33.9606 -33.9606 -23.5934 -23.5934 -17.5772 -17.5772 -17.3783 -17.3783 -15.2469 -15.2469 -14.9320 -14.9320 -14.8153 -14.8153 -14.2366 -14.2366 -14.2244 -14.2244 -7.3146 -7.3146 -7.0645 -7.0644 -7.0426 -7.0426 -3.4715 -3.4715 -1.2937 -1.2933 -1.2904 -1.2904 -1.2819 -1.2819 1.1662 1.1662 1.2793 1.2793 1.3132 1.3133 2.7610 2.7610 2.7879 2.7891 2.8436 2.8436 2.8448 2.8454 4.3431 4.3431 9.0737 9.0737 10.1708 10.1708 10.6669 10.6669 10.6732 10.6752 11.3943 11.3977 k = 0.0000 0.0000 0.1908 ( 4027 PWs) bands (ev): -33.9604 -33.9604 -23.5932 -23.5932 -17.5779 -17.5779 -17.3999 -17.3999 -15.2408 -15.2408 -14.9319 -14.9319 -14.7895 -14.7895 -14.2362 -14.2362 -14.2241 -14.2241 -7.3167 -7.3167 -7.0650 -7.0649 -7.0477 -7.0477 -3.4573 -3.4573 -1.2967 -1.2967 -1.2965 -1.2960 -1.2886 -1.2886 1.1284 1.1284 1.2742 1.2742 1.3090 1.3091 2.7589 2.7589 2.7859 2.7870 2.8462 2.8462 2.8476 2.8481 4.3433 4.3433 9.1258 9.1258 10.1545 10.1545 10.6831 10.6831 10.6894 10.6916 11.3939 11.3976 k = 0.0000 0.0000 0.2067 ( 4039 PWs) bands (ev): -33.9603 -33.9603 -23.5929 -23.5929 -17.5787 -17.5787 -17.4220 -17.4220 -15.2352 -15.2352 -14.9317 -14.9317 -14.7621 -14.7621 -14.2358 -14.2358 -14.2238 -14.2237 -7.3190 -7.3190 -7.0656 -7.0655 -7.0530 -7.0530 -3.4423 -3.4423 -1.3063 -1.3063 -1.2994 -1.2989 -1.2926 -1.2926 1.0883 1.0883 1.2693 1.2693 1.3046 1.3047 2.7568 2.7568 2.7838 2.7849 2.8490 2.8490 2.8505 2.8510 4.3435 4.3435 9.1811 9.1811 10.1380 10.1380 10.7001 10.7001 10.7065 10.7089 11.3934 11.3974 k = 0.0000 0.0000 0.2226 ( 4045 PWs) bands (ev): -33.9601 -33.9601 -23.5927 -23.5927 -17.5797 -17.5797 -17.4444 -17.4444 -15.2301 -15.2301 -14.9315 -14.9315 -14.7334 -14.7334 -14.2353 -14.2353 -14.2234 -14.2234 -7.3214 -7.3214 -7.0662 -7.0661 -7.0585 -7.0585 -3.4267 -3.4267 -1.3173 -1.3173 -1.3024 -1.3019 -1.2959 -1.2959 1.0467 1.0467 1.2643 1.2643 1.3000 1.3001 2.7546 2.7546 2.7817 2.7827 2.8518 2.8518 2.8536 2.8539 4.3436 4.3436 9.2391 9.2391 10.1219 10.1219 10.7180 10.7180 10.7245 10.7271 11.3928 11.3970 k = 0.0000 0.0000 0.2385 ( 4045 PWs) bands (ev): -33.9598 -33.9598 -23.5924 -23.5924 -17.5810 -17.5810 -17.4666 -17.4666 -15.2254 -15.2254 -14.9313 -14.9313 -14.7037 -14.7037 -14.2348 -14.2348 -14.2230 -14.2230 -7.3239 -7.3239 -7.0668 -7.0667 -7.0639 -7.0639 -3.4106 -3.4106 -1.3288 -1.3288 -1.3055 -1.3050 -1.2991 -1.2991 1.0039 1.0039 1.2593 1.2593 1.2952 1.2953 2.7524 2.7524 2.7795 2.7805 2.8547 2.8547 2.8567 2.8569 4.3438 4.3438 9.2994 9.2994 10.1066 10.1066 10.7366 10.7366 10.7432 10.7459 11.3921 11.3965 k = 0.0000 0.0000 0.2544 ( 4045 PWs) bands (ev): -33.9596 -33.9596 -23.5921 -23.5921 -17.5828 -17.5828 -17.4885 -17.4885 -15.2212 -15.2212 -14.9311 -14.9311 -14.6731 -14.6731 -14.2342 -14.2342 -14.2226 -14.2226 -7.3266 -7.3266 -7.0694 -7.0694 -7.0675 -7.0674 -3.3941 -3.3941 -1.3407 -1.3407 -1.3086 -1.3081 -1.3022 -1.3022 0.9602 0.9602 1.2543 1.2543 1.2903 1.2905 2.7502 2.7502 2.7773 2.7783 2.8577 2.8577 2.8598 2.8600 4.3440 4.3440 9.3612 9.3612 10.0926 10.0926 10.7558 10.7558 10.7625 10.7654 11.3912 11.3958 k = 0.0000 0.0000 0.2703 ( 4045 PWs) bands (ev): -33.9594 -33.9594 -23.5918 -23.5918 -17.5853 -17.5853 -17.5093 -17.5093 -15.2175 -15.2175 -14.9309 -14.9309 -14.6422 -14.6422 -14.2336 -14.2336 -14.2222 -14.2222 -7.3294 -7.3294 -7.0749 -7.0749 -7.0681 -7.0680 -3.3774 -3.3774 -1.3528 -1.3528 -1.3118 -1.3113 -1.3054 -1.3054 0.9161 0.9161 1.2493 1.2493 1.2854 1.2855 2.7479 2.7479 2.7752 2.7761 2.8607 2.8607 2.8630 2.8631 4.3442 4.3442 9.4237 9.4237 10.0809 10.0809 10.7755 10.7755 10.7822 10.7854 11.3901 11.3948 k = 0.0000 0.0000 0.2862 ( 4045 PWs) bands (ev): -33.9592 -33.9592 -23.5915 -23.5915 -17.5892 -17.5892 -17.5285 -17.5285 -15.2141 -15.2141 -14.9307 -14.9307 -14.6111 -14.6111 -14.2330 -14.2330 -14.2218 -14.2218 -7.3322 -7.3322 -7.0803 -7.0803 -7.0688 -7.0687 -3.3604 -3.3604 -1.3651 -1.3651 -1.3150 -1.3145 -1.3085 -1.3085 0.8719 0.8719 1.2442 1.2442 1.2804 1.2805 2.7457 2.7457 2.7730 2.7738 2.8637 2.8637 2.8661 2.8662 4.3444 4.3444 9.4855 9.4855 10.0726 10.0726 10.7955 10.7955 10.8024 10.8057 11.3888 11.3937 k = 0.0000 0.0000 0.3021 ( 4051 PWs) bands (ev): -33.9590 -33.9590 -23.5912 -23.5912 -17.5956 -17.5956 -17.5446 -17.5446 -15.2111 -15.2111 -14.9305 -14.9305 -14.5801 -14.5801 -14.2324 -14.2324 -14.2215 -14.2215 -7.3352 -7.3352 -7.0856 -7.0856 -7.0694 -7.0693 -3.3435 -3.3435 -1.3775 -1.3775 -1.3182 -1.3177 -1.3116 -1.3116 0.8279 0.8279 1.2392 1.2392 1.2754 1.2755 2.7435 2.7435 2.7709 2.7717 2.8667 2.8667 2.8693 2.8693 4.3446 4.3446 9.5451 9.5451 10.0693 10.0693 10.8158 10.8158 10.8227 10.8262 11.3872 11.3924 k = 0.0000 0.0000 0.3180 ( 4027 PWs) bands (ev): -33.9588 -33.9588 -23.5909 -23.5909 -17.6059 -17.6059 -17.5563 -17.5563 -15.2084 -15.2084 -14.9302 -14.9302 -14.5494 -14.5494 -14.2317 -14.2317 -14.2211 -14.2211 -7.3381 -7.3381 -7.0906 -7.0906 -7.0700 -7.0700 -3.3266 -3.3266 -1.3897 -1.3897 -1.3214 -1.3209 -1.3147 -1.3147 0.7845 0.7845 1.2343 1.2343 1.2704 1.2705 2.7414 2.7414 2.7688 2.7695 2.8696 2.8696 2.8724 2.8724 4.3448 4.3448 9.5999 9.5999 10.0731 10.0731 10.8362 10.8362 10.8433 10.8469 11.3855 11.3908 k = 0.0000 0.0000 0.3339 ( 4027 PWs) bands (ev): -33.9586 -33.9586 -23.5907 -23.5907 -17.6199 -17.6199 -17.5635 -17.5635 -15.2060 -15.2060 -14.9300 -14.9300 -14.5194 -14.5194 -14.2309 -14.2309 -14.2207 -14.2207 -7.3411 -7.3411 -7.0956 -7.0956 -7.0707 -7.0706 -3.3100 -3.3100 -1.4019 -1.4019 -1.3245 -1.3240 -1.3177 -1.3177 0.7419 0.7419 1.2294 1.2294 1.2655 1.2656 2.7393 2.7393 2.7667 2.7674 2.8725 2.8725 2.8754 2.8754 4.3450 4.3450 9.6472 9.6472 10.0868 10.0868 10.8566 10.8566 10.8638 10.8675 11.3835 11.3889 k = 0.0000 0.0000 0.3499 ( 4027 PWs) bands (ev): -33.9584 -33.9584 -23.5904 -23.5904 -17.6359 -17.6359 -17.5677 -17.5677 -15.2039 -15.2039 -14.9298 -14.9298 -14.4904 -14.4904 -14.2301 -14.2301 -14.2203 -14.2203 -7.3441 -7.3441 -7.1003 -7.1003 -7.0713 -7.0712 -3.2937 -3.2937 -1.4137 -1.4137 -1.3275 -1.3270 -1.3207 -1.3207 0.7005 0.7005 1.2247 1.2247 1.2608 1.2609 2.7373 2.7373 2.7648 2.7654 2.8753 2.8753 2.8783 2.8784 4.3452 4.3452 9.6843 9.6843 10.1128 10.1128 10.8767 10.8767 10.8841 10.8879 11.3813 11.3867 k = 0.0000 0.0000 0.3658 ( 4003 PWs) bands (ev): -33.9581 -33.9581 -23.5901 -23.5901 -17.6525 -17.6525 -17.5704 -17.5704 -15.2019 -15.2019 -14.9296 -14.9296 -14.4624 -14.4624 -14.2292 -14.2292 -14.2199 -14.2199 -7.3470 -7.3470 -7.1047 -7.1047 -7.0719 -7.0718 -3.2778 -3.2778 -1.4253 -1.4253 -1.3304 -1.3299 -1.3235 -1.3235 0.6607 0.6607 1.2201 1.2201 1.2561 1.2562 2.7353 2.7353 2.7629 2.7635 2.8780 2.8780 2.8811 2.8812 4.3454 4.3454 9.7101 9.7101 10.1519 10.1519 10.8967 10.8967 10.9042 10.9081 11.3789 11.3843 k = 0.0000 0.0000 0.3817 ( 4009 PWs) bands (ev): -33.9580 -33.9580 -23.5898 -23.5898 -17.6690 -17.6690 -17.5722 -17.5722 -15.2003 -15.2003 -14.9294 -14.9294 -14.4358 -14.4358 -14.2283 -14.2283 -14.2196 -14.2196 -7.3499 -7.3499 -7.1089 -7.1089 -7.0725 -7.0724 -3.2626 -3.2626 -1.4364 -1.4364 -1.3332 -1.3328 -1.3262 -1.3262 0.6226 0.6226 1.2157 1.2157 1.2517 1.2518 2.7335 2.7335 2.7611 2.7617 2.8805 2.8805 2.8838 2.8839 4.3455 4.3455 9.7253 9.7253 10.2030 10.2030 10.9161 10.9161 10.9238 10.9277 11.3762 11.3816 k = 0.0000 0.0000 0.3976 ( 4009 PWs) bands (ev): -33.9578 -33.9578 -23.5896 -23.5896 -17.6848 -17.6848 -17.5735 -17.5735 -15.1988 -15.1988 -14.9293 -14.9293 -14.4109 -14.4109 -14.2272 -14.2272 -14.2193 -14.2193 -7.3527 -7.3527 -7.1128 -7.1128 -7.0730 -7.0730 -3.2481 -3.2481 -1.4471 -1.4471 -1.3359 -1.3354 -1.3288 -1.3288 0.5865 0.5865 1.2115 1.2115 1.2475 1.2475 2.7318 2.7318 2.7594 2.7599 2.8830 2.8830 2.8864 2.8865 4.3457 4.3457 9.7325 9.7325 10.2633 10.2633 10.9349 10.9349 10.9428 10.9467 11.3733 11.3786 k = 0.0000 0.0000 0.4135 ( 4021 PWs) bands (ev): -33.9576 -33.9576 -23.5894 -23.5894 -17.6997 -17.6997 -17.5745 -17.5745 -15.1975 -15.1975 -14.9291 -14.9291 -14.3877 -14.3877 -14.2260 -14.2260 -14.2189 -14.2189 -7.3554 -7.3554 -7.1164 -7.1164 -7.0736 -7.0735 -3.2343 -3.2343 -1.4571 -1.4571 -1.3383 -1.3379 -1.3312 -1.3312 0.5527 0.5527 1.2076 1.2076 1.2435 1.2435 2.7302 2.7302 2.7579 2.7583 2.8852 2.8852 2.8888 2.8889 4.3459 4.3459 9.7340 9.7340 10.3297 10.3297 10.9529 10.9529 10.9611 10.9650 11.3701 11.3754 k = 0.0000 0.0000 0.4294 ( 4045 PWs) bands (ev): -33.9575 -33.9575 -23.5892 -23.5892 -17.7134 -17.7134 -17.5753 -17.5753 -15.1964 -15.1964 -14.9290 -14.9290 -14.3666 -14.3666 -14.2246 -14.2246 -14.2187 -14.2187 -7.3579 -7.3579 -7.1197 -7.1197 -7.0741 -7.0740 -3.2216 -3.2216 -1.4665 -1.4665 -1.3406 -1.3403 -1.3334 -1.3334 0.5213 0.5213 1.2039 1.2039 1.2398 1.2398 2.7287 2.7287 2.7564 2.7568 2.8873 2.8873 2.8910 2.8911 4.3460 4.3460 9.7320 9.7320 10.3996 10.3996 10.9700 10.9700 10.9784 10.9823 11.3669 11.3719 k = 0.0000 0.0000 0.4453 ( 4045 PWs) bands (ev): -33.9573 -33.9573 -23.5890 -23.5890 -17.7259 -17.7259 -17.5760 -17.5760 -15.1954 -15.1954 -14.9289 -14.9289 -14.3476 -14.3476 -14.2231 -14.2231 -14.2184 -14.2184 -7.3603 -7.3603 -7.1226 -7.1226 -7.0745 -7.0745 -3.2098 -3.2098 -1.4751 -1.4751 -1.3427 -1.3424 -1.3355 -1.3355 0.4928 0.4928 1.2006 1.2006 1.2364 1.2364 2.7273 2.7273 2.7551 2.7555 2.8893 2.8893 2.8930 2.8931 4.3461 4.3461 9.7280 9.7280 10.4707 10.4707 10.9861 10.9861 10.9948 10.9985 11.3636 11.3684 k = 0.0000 0.0000 0.4612 ( 4027 PWs) bands (ev): -33.9572 -33.9572 -23.5888 -23.5888 -17.7371 -17.7371 -17.5765 -17.5765 -15.1945 -15.1945 -14.9287 -14.9287 -14.3308 -14.3308 -14.2212 -14.2212 -14.2182 -14.2182 -7.3624 -7.3624 -7.1252 -7.1252 -7.0749 -7.0748 -3.1992 -3.1992 -1.4828 -1.4828 -1.3446 -1.3443 -1.3373 -1.3373 0.4671 0.4671 1.1976 1.1976 1.2333 1.2334 2.7261 2.7261 2.7540 2.7543 2.8910 2.8910 2.8948 2.8949 4.3463 4.3463 9.7230 9.7230 10.5411 10.5411 11.0010 11.0010 11.0101 11.0136 11.3603 11.3648 k = 0.0000 0.0000 0.4771 ( 4027 PWs) bands (ev): -33.9571 -33.9571 -23.5886 -23.5886 -17.7469 -17.7469 -17.5769 -17.5769 -15.1938 -15.1938 -14.9286 -14.9286 -14.3166 -14.3166 -14.2192 -14.2192 -14.2180 -14.2180 -7.3643 -7.3643 -7.1274 -7.1274 -7.0752 -7.0752 -3.1898 -3.1898 -1.4897 -1.4897 -1.3463 -1.3460 -1.3389 -1.3389 0.4445 0.4445 1.1949 1.1949 1.2306 1.2307 2.7251 2.7251 2.7530 2.7532 2.8925 2.8925 2.8964 2.8965 4.3464 4.3464 9.7178 9.7178 10.6088 10.6088 11.0144 11.0144 11.0239 11.0271 11.3571 11.3612 k = 0.0000 0.0000 0.4930 ( 4027 PWs) bands (ev): -33.9570 -33.9570 -23.5885 -23.5885 -17.7554 -17.7554 -17.5773 -17.5773 -15.1932 -15.1932 -14.9285 -14.9285 -14.3048 -14.3048 -14.2178 -14.2178 -14.2170 -14.2170 -7.3660 -7.3660 -7.1293 -7.1293 -7.0755 -7.0755 -3.1818 -3.1818 -1.4957 -1.4957 -1.3477 -1.3475 -1.3403 -1.3403 0.4251 0.4251 1.1926 1.1926 1.2283 1.2284 2.7242 2.7242 2.7521 2.7523 2.8938 2.8938 2.8978 2.8979 4.3465 4.3465 9.7127 9.7127 10.6719 10.6719 11.0262 11.0262 11.0361 11.0390 11.3542 11.3578 k = 0.0000 0.0000 0.5089 ( 4027 PWs) bands (ev): -33.9569 -33.9569 -23.5884 -23.5884 -17.7623 -17.7623 -17.5775 -17.5775 -15.1927 -15.1927 -14.9284 -14.9284 -14.2955 -14.2955 -14.2176 -14.2176 -14.2148 -14.2148 -7.3673 -7.3673 -7.1309 -7.1309 -7.0758 -7.0758 -3.1750 -3.1750 -1.5006 -1.5006 -1.3489 -1.3487 -1.3415 -1.3415 0.4091 0.4091 1.1908 1.1908 1.2264 1.2264 2.7234 2.7234 2.7514 2.7516 2.8949 2.8949 2.8989 2.8990 4.3465 4.3465 9.7083 9.7083 10.7283 10.7283 11.0362 11.0362 11.0465 11.0490 11.3516 11.3546 k = 0.0000 0.0000 0.5248 ( 4027 PWs) bands (ev): -33.9568 -33.9568 -23.5883 -23.5883 -17.7677 -17.7677 -17.5778 -17.5778 -15.1923 -15.1923 -14.9284 -14.9284 -14.2886 -14.2886 -14.2175 -14.2175 -14.2126 -14.2126 -7.3684 -7.3684 -7.1321 -7.1321 -7.0760 -7.0760 -3.1698 -3.1698 -1.5045 -1.5045 -1.3498 -1.3496 -1.3424 -1.3424 0.3965 0.3965 1.1893 1.1893 1.2249 1.2249 2.7229 2.7229 2.7508 2.7510 2.8957 2.8957 2.8998 2.8999 4.3466 4.3466 9.7046 9.7046 10.7757 10.7757 11.0443 11.0443 11.0550 11.0570 11.3494 11.3518 k = 0.0000 0.0000 0.5407 ( 4039 PWs) bands (ev): -33.9568 -33.9568 -23.5882 -23.5882 -17.7716 -17.7716 -17.5779 -17.5779 -15.1921 -15.1921 -14.9284 -14.9284 -14.2839 -14.2839 -14.2174 -14.2174 -14.2109 -14.2109 -7.3692 -7.3692 -7.1330 -7.1330 -7.0761 -7.0761 -3.1660 -3.1660 -1.5073 -1.5073 -1.3504 -1.3503 -1.3430 -1.3430 0.3874 0.3874 1.1882 1.1882 1.2238 1.2238 2.7224 2.7224 2.7505 2.7505 2.8963 2.8963 2.9005 2.9005 4.3466 4.3466 9.7018 9.7018 10.8119 10.8119 11.0501 11.0501 11.0613 11.0626 11.3479 11.3496 k = 0.0000 0.0000 0.5566 ( 4038 PWs) bands (ev): -33.9567 -33.9567 -23.5882 -23.5882 -17.7740 -17.7740 -17.5780 -17.5780 -15.1919 -15.1919 -14.9283 -14.9283 -14.2811 -14.2811 -14.2174 -14.2174 -14.2097 -14.2097 -7.3697 -7.3697 -7.1336 -7.1336 -7.0762 -7.0762 -3.1637 -3.1637 -1.5090 -1.5090 -1.3508 -1.3508 -1.3434 -1.3434 0.3820 0.3820 1.1875 1.1875 1.2231 1.2232 2.7222 2.7222 2.7502 2.7503 2.8967 2.8967 2.9009 2.9009 4.3467 4.3467 9.7001 9.7001 10.8346 10.8346 11.0536 11.0536 11.0653 11.0660 11.3471 11.3480 k = 0.0000 0.0000 0.5725 ( 4038 PWs) bands (ev): -33.9567 -33.9567 -23.5882 -23.5882 -17.7748 -17.7748 -17.5780 -17.5780 -15.1918 -15.1918 -14.9283 -14.9283 -14.2802 -14.2802 -14.2174 -14.2174 -14.2093 -14.2093 -7.3699 -7.3699 -7.1337 -7.1337 -7.0763 -7.0763 -3.1629 -3.1629 -1.5095 -1.5095 -1.3509 -1.3509 -1.3435 -1.3435 0.3802 0.3802 1.1873 1.1873 1.2229 1.2229 2.7221 2.7221 2.7502 2.7502 2.8968 2.8968 2.9010 2.9010 4.3467 4.3467 9.6996 9.6996 10.8424 10.8424 11.0549 11.0549 11.0669 11.0669 11.3472 11.3472 k = 0.0000 0.0000 0.5725 ( 4038 PWs) bands (ev): -33.9567 -33.9567 -23.5882 -23.5882 -17.7748 -17.7748 -17.5780 -17.5780 -15.1918 -15.1918 -14.9283 -14.9283 -14.2802 -14.2802 -14.2174 -14.2174 -14.2093 -14.2093 -7.3699 -7.3699 -7.1337 -7.1337 -7.0763 -7.0763 -3.1629 -3.1629 -1.5095 -1.5095 -1.3509 -1.3509 -1.3435 -1.3435 0.3802 0.3802 1.1873 1.1873 1.2229 1.2229 2.7221 2.7221 2.7502 2.7502 2.8968 2.8968 2.9010 2.9010 4.3467 4.3467 9.6996 9.6996 10.8424 10.8424 11.0549 11.0549 11.0669 11.0669 11.3472 11.3472 k = 0.0139 0.0080 0.5725 ( 4034 PWs) bands (ev): -33.9567 -33.9567 -23.5882 -23.5882 -17.7748 -17.7748 -17.5781 -17.5781 -15.1920 -15.1920 -14.9286 -14.9286 -14.2803 -14.2803 -14.2170 -14.2170 -14.2090 -14.2090 -7.3698 -7.3698 -7.1336 -7.1336 -7.0763 -7.0763 -3.1622 -3.1622 -1.5094 -1.5094 -1.3510 -1.3510 -1.3436 -1.3436 0.3801 0.3801 1.1875 1.1875 1.2231 1.2231 2.7210 2.7210 2.7491 2.7491 2.8964 2.8964 2.9007 2.9007 4.3452 4.3452 9.7007 9.7007 10.8439 10.8439 11.0556 11.0556 11.0676 11.0676 11.3482 11.3482 k = 0.0278 0.0160 0.5725 ( 4030 PWs) bands (ev): -33.9567 -33.9567 -23.5882 -23.5882 -17.7748 -17.7748 -17.5785 -17.5785 -15.1923 -15.1923 -14.9293 -14.9293 -14.2805 -14.2805 -14.2161 -14.2161 -14.2080 -14.2080 -7.3694 -7.3694 -7.1332 -7.1332 -7.0763 -7.0763 -3.1601 -3.1601 -1.5092 -1.5092 -1.3516 -1.3516 -1.3434 -1.3434 0.3801 0.3801 1.1878 1.1878 1.2234 1.2234 2.7175 2.7175 2.7461 2.7461 2.8949 2.8949 2.9001 2.9001 4.3407 4.3407 9.7042 9.7042 10.8484 10.8484 11.0579 11.0579 11.0700 11.0700 11.3504 11.3504 k = 0.0417 0.0241 0.5725 ( 4030 PWs) bands (ev): -33.9567 -33.9567 -23.5881 -23.5881 -17.7749 -17.7749 -17.5790 -17.5790 -15.1929 -15.1929 -14.9306 -14.9306 -14.2809 -14.2809 -14.2148 -14.2148 -14.2063 -14.2063 -7.3689 -7.3689 -7.1326 -7.1326 -7.0764 -7.0764 -3.1566 -3.1566 -1.5087 -1.5087 -1.3533 -1.3533 -1.3425 -1.3425 0.3799 0.3799 1.1884 1.1884 1.2240 1.2240 2.7109 2.7109 2.7418 2.7418 2.8916 2.8916 2.8998 2.8998 4.3333 4.3333 9.7099 9.7099 10.8560 10.8560 11.0615 11.0615 11.0739 11.0739 11.3522 11.3522 k = 0.0556 0.0321 0.5725 ( 4030 PWs) bands (ev): -33.9567 -33.9567 -23.5881 -23.5881 -17.7750 -17.7750 -17.5798 -17.5798 -15.1938 -15.1938 -14.9323 -14.9323 -14.2814 -14.2814 -14.2133 -14.2133 -14.2036 -14.2036 -7.3681 -7.3681 -7.1318 -7.1318 -7.0766 -7.0766 -3.1517 -3.1517 -1.5080 -1.5080 -1.3563 -1.3563 -1.3405 -1.3405 0.3798 0.3798 1.1892 1.1892 1.2248 1.2248 2.7007 2.7007 2.7370 2.7370 2.8866 2.8866 2.8998 2.8998 4.3230 4.3230 9.7178 9.7178 10.8664 10.8664 11.0663 11.0663 11.0797 11.0797 11.3537 11.3537 k = 0.0694 0.0401 0.5725 ( 4028 PWs) bands (ev): -33.9567 -33.9567 -23.5880 -23.5880 -17.7751 -17.7751 -17.5807 -17.5807 -15.1950 -15.1950 -14.9345 -14.9345 -14.2820 -14.2820 -14.2118 -14.2118 -14.1997 -14.1997 -7.3672 -7.3672 -7.1307 -7.1307 -7.0767 -7.0767 -3.1454 -3.1454 -1.5072 -1.5072 -1.3605 -1.3605 -1.3376 -1.3376 0.3795 0.3795 1.1902 1.1902 1.2259 1.2259 2.6865 2.6865 2.7321 2.7321 2.8801 2.8801 2.9000 2.9000 4.3100 4.3100 9.7278 9.7278 10.8797 10.8797 11.0722 11.0722 11.0875 11.0875 11.3552 11.3552 k = 0.0833 0.0481 0.5725 ( 4024 PWs) bands (ev): -33.9567 -33.9567 -23.5880 -23.5880 -17.7752 -17.7752 -17.5819 -17.5819 -15.1964 -15.1964 -14.9370 -14.9370 -14.2827 -14.2827 -14.2102 -14.2102 -14.1949 -14.1949 -7.3660 -7.3660 -7.1294 -7.1294 -7.0769 -7.0769 -3.1378 -3.1378 -1.5061 -1.5061 -1.3658 -1.3658 -1.3339 -1.3339 0.3793 0.3793 1.1913 1.1913 1.2272 1.2272 2.6684 2.6684 2.7271 2.7271 2.8723 2.8723 2.9002 2.9002 4.2944 4.2944 9.7399 9.7399 10.8957 10.8957 11.0791 11.0791 11.0976 11.0976 11.3572 11.3572 k = 0.0972 0.0561 0.5725 ( 4020 PWs) bands (ev): -33.9566 -33.9566 -23.5879 -23.5879 -17.7754 -17.7754 -17.5832 -17.5832 -15.1980 -15.1980 -14.9399 -14.9399 -14.2834 -14.2834 -14.2086 -14.2086 -14.1891 -14.1891 -7.3648 -7.3648 -7.1278 -7.1278 -7.0772 -7.0772 -3.1289 -3.1289 -1.5048 -1.5048 -1.3719 -1.3719 -1.3295 -1.3295 0.3789 0.3789 1.1925 1.1925 1.2287 1.2287 2.6467 2.6467 2.7218 2.7218 2.8633 2.8633 2.9006 2.9006 4.2762 4.2762 9.7539 9.7539 10.9143 10.9143 11.0868 11.0868 11.1101 11.1101 11.3600 11.3600 k = 0.1111 0.0642 0.5725 ( 4020 PWs) bands (ev): -33.9566 -33.9566 -23.5879 -23.5879 -17.7756 -17.7756 -17.5847 -17.5847 -15.2000 -15.2000 -14.9430 -14.9430 -14.2843 -14.2843 -14.2069 -14.2069 -14.1826 -14.1826 -7.3633 -7.3633 -7.1261 -7.1261 -7.0775 -7.0775 -3.1187 -3.1187 -1.5033 -1.5033 -1.3790 -1.3790 -1.3244 -1.3244 0.3785 0.3785 1.1938 1.1938 1.2303 1.2303 2.6218 2.6218 2.7162 2.7162 2.8532 2.8532 2.9011 2.9011 4.2559 4.2559 9.7696 9.7696 10.9353 10.9353 11.0954 11.0954 11.1251 11.1251 11.3636 11.3636 k = 0.1250 0.0722 0.5725 ( 4008 PWs) bands (ev): -33.9566 -33.9566 -23.5878 -23.5878 -17.7758 -17.7758 -17.5864 -17.5864 -15.2022 -15.2022 -14.9463 -14.9463 -14.2851 -14.2851 -14.2052 -14.2052 -14.1753 -14.1753 -7.3618 -7.3618 -7.1241 -7.1241 -7.0778 -7.0778 -3.1073 -3.1073 -1.5017 -1.5017 -1.3868 -1.3868 -1.3187 -1.3187 0.3780 0.3780 1.1951 1.1951 1.2321 1.2321 2.5939 2.5939 2.7102 2.7102 2.8421 2.8421 2.9016 2.9016 4.2334 4.2334 9.7870 9.7870 10.9582 10.9582 11.1049 11.1049 11.1428 11.1428 11.3682 11.3682 k = 0.1389 0.0802 0.5725 ( 4008 PWs) bands (ev): -33.9565 -33.9565 -23.5877 -23.5877 -17.7760 -17.7760 -17.5882 -17.5882 -15.2047 -15.2047 -14.9498 -14.9498 -14.2861 -14.2861 -14.2033 -14.2033 -14.1675 -14.1675 -7.3602 -7.3602 -7.1219 -7.1219 -7.0781 -7.0781 -3.0947 -3.0947 -1.4997 -1.4997 -1.3952 -1.3952 -1.3124 -1.3124 0.3774 0.3774 1.1965 1.1965 1.2339 1.2339 2.5633 2.5633 2.7038 2.7038 2.8303 2.8303 2.9021 2.9021 4.2090 4.2090 9.8058 9.8058 10.9827 10.9827 11.1151 11.1151 11.1636 11.1636 11.3739 11.3739 k = 0.1528 0.0882 0.5725 ( 4006 PWs) bands (ev): -33.9565 -33.9565 -23.5876 -23.5876 -17.7763 -17.7763 -17.5902 -17.5902 -15.2074 -15.2074 -14.9534 -14.9534 -14.2870 -14.2870 -14.2013 -14.2013 -14.1592 -14.1592 -7.3585 -7.3585 -7.1195 -7.1195 -7.0785 -7.0785 -3.0810 -3.0810 -1.4976 -1.4976 -1.4043 -1.4043 -1.3056 -1.3056 0.3767 0.3767 1.1978 1.1978 1.2358 1.2358 2.5302 2.5302 2.6969 2.6969 2.8178 2.8178 2.9027 2.9027 4.1830 4.1830 9.8259 9.8259 11.0083 11.0083 11.1262 11.1262 11.1878 11.1878 11.3808 11.3808 k = 0.1667 0.0962 0.5725 ( 4016 PWs) bands (ev): -33.9565 -33.9565 -23.5875 -23.5875 -17.7765 -17.7765 -17.5923 -17.5923 -15.2105 -15.2105 -14.9570 -14.9570 -14.2879 -14.2879 -14.1991 -14.1991 -14.1505 -14.1505 -7.3568 -7.3568 -7.1170 -7.1170 -7.0789 -7.0789 -3.0663 -3.0663 -1.4953 -1.4953 -1.4139 -1.4139 -1.2983 -1.2983 0.3760 0.3760 1.1990 1.1990 1.2376 1.2376 2.4950 2.4950 2.6896 2.6896 2.8048 2.8048 2.9034 2.9034 4.1555 4.1555 9.8472 9.8472 11.0345 11.0345 11.1380 11.1380 11.2158 11.2158 11.3888 11.3888 k = 0.1806 0.1042 0.5725 ( 4020 PWs) bands (ev): -33.9564 -33.9564 -23.5874 -23.5874 -17.7768 -17.7768 -17.5945 -17.5945 -15.2137 -15.2137 -14.9607 -14.9607 -14.2889 -14.2889 -14.1969 -14.1969 -14.1415 -14.1415 -7.3551 -7.3551 -7.1142 -7.1142 -7.0793 -7.0793 -3.0506 -3.0506 -1.4928 -1.4928 -1.4240 -1.4240 -1.2906 -1.2906 0.3751 0.3751 1.2002 1.2002 1.2393 1.2393 2.4579 2.4579 2.6819 2.6819 2.7914 2.7914 2.9041 2.9041 4.1269 4.1269 9.8694 9.8694 11.0608 11.0608 11.1505 11.1505 11.2480 11.2480 11.3980 11.3980 k = 0.1944 0.1123 0.5725 ( 4020 PWs) bands (ev): -33.9564 -33.9564 -23.5873 -23.5873 -17.7771 -17.7771 -17.5967 -17.5967 -15.2173 -15.2173 -14.9643 -14.9643 -14.2898 -14.2898 -14.1946 -14.1946 -14.1323 -14.1323 -7.3533 -7.3533 -7.1114 -7.1114 -7.0798 -7.0798 -3.0340 -3.0340 -1.4900 -1.4900 -1.4343 -1.4343 -1.2825 -1.2825 0.3741 0.3741 1.2014 1.2014 1.2409 1.2409 2.4192 2.4192 2.6739 2.6739 2.7779 2.7779 2.9048 2.9048 4.0973 4.0973 9.8924 9.8924 11.0867 11.0867 11.1635 11.1635 11.2845 11.2845 11.4085 11.4085 k = 0.2083 0.1203 0.5725 ( 4020 PWs) bands (ev): -33.9564 -33.9564 -23.5872 -23.5872 -17.7774 -17.7774 -17.5990 -17.5990 -15.2210 -15.2210 -14.9678 -14.9678 -14.2907 -14.2907 -14.1922 -14.1922 -14.1229 -14.1229 -7.3516 -7.3516 -7.1084 -7.1084 -7.0802 -7.0802 -3.0166 -3.0166 -1.4871 -1.4871 -1.4450 -1.4450 -1.2740 -1.2740 0.3730 0.3730 1.2025 1.2025 1.2422 1.2422 2.3791 2.3791 2.6655 2.6655 2.7642 2.7642 2.9056 2.9056 4.0670 4.0670 9.9160 9.9160 11.1121 11.1121 11.1771 11.1771 11.3254 11.3254 11.4199 11.4199 k = 0.2222 0.1283 0.5725 ( 4024 PWs) bands (ev): -33.9563 -33.9563 -23.5870 -23.5870 -17.7777 -17.7777 -17.6014 -17.6014 -15.2248 -15.2248 -14.9713 -14.9713 -14.2916 -14.2916 -14.1898 -14.1898 -14.1134 -14.1134 -7.3499 -7.3499 -7.1053 -7.1053 -7.0807 -7.0807 -2.9986 -2.9986 -1.4839 -1.4839 -1.4558 -1.4558 -1.2653 -1.2653 0.3718 0.3718 1.2035 1.2035 1.2433 1.2433 2.3380 2.3380 2.6569 2.6569 2.7507 2.7507 2.9063 2.9063 4.0363 4.0363 9.9401 9.9401 11.1369 11.1369 11.1912 11.1912 11.3706 11.3706 11.4324 11.4324 k = 0.2361 0.1363 0.5725 ( 4024 PWs) bands (ev): -33.9563 -33.9563 -23.5869 -23.5869 -17.7781 -17.7781 -17.6038 -17.6038 -15.2289 -15.2289 -14.9746 -14.9746 -14.2925 -14.2925 -14.1873 -14.1873 -14.1039 -14.1039 -7.3483 -7.3483 -7.1021 -7.1021 -7.0812 -7.0812 -2.9800 -2.9800 -1.4806 -1.4806 -1.4667 -1.4667 -1.2564 -1.2564 0.3705 0.3705 1.2044 1.2044 1.2441 1.2441 2.2963 2.2963 2.6481 2.6481 2.7374 2.7374 2.9071 2.9071 4.0055 4.0055 9.9644 9.9644 11.1609 11.1609 11.2056 11.2056 11.4197 11.4197 11.4458 11.4458 k = 0.2500 0.1443 0.5725 ( 4020 PWs) bands (ev): -33.9562 -33.9562 -23.5868 -23.5868 -17.7784 -17.7784 -17.6062 -17.6062 -15.2330 -15.2330 -14.9778 -14.9778 -14.2933 -14.2933 -14.1847 -14.1847 -14.0945 -14.0945 -7.3467 -7.3467 -7.0989 -7.0989 -7.0817 -7.0817 -2.9609 -2.9609 -1.4777 -1.4777 -1.4771 -1.4771 -1.2473 -1.2473 0.3690 0.3690 1.2052 1.2052 1.2445 1.2445 2.2541 2.2541 2.6391 2.6391 2.7245 2.7245 2.9079 2.9079 3.9746 3.9746 9.9887 9.9887 11.1844 11.1844 11.2204 11.2204 11.4592 11.4592 11.4732 11.4732 k = 0.2639 0.1524 0.5725 ( 4022 PWs) bands (ev): -33.9562 -33.9562 -23.5867 -23.5867 -17.7787 -17.7787 -17.6086 -17.6086 -15.2372 -15.2372 -14.9808 -14.9808 -14.2940 -14.2940 -14.1822 -14.1822 -14.0852 -14.0852 -7.3452 -7.3452 -7.0956 -7.0956 -7.0821 -7.0821 -2.9416 -2.9416 -1.4883 -1.4883 -1.4736 -1.4736 -1.2381 -1.2381 0.3674 0.3674 1.2058 1.2058 1.2446 1.2446 2.2118 2.2118 2.6300 2.6300 2.7120 2.7120 2.9087 2.9087 3.9441 3.9441 10.0130 10.0130 11.2073 11.2073 11.2353 11.2353 11.4743 11.4743 11.5290 11.5290 k = 0.2778 0.1604 0.5725 ( 4020 PWs) bands (ev): -33.9562 -33.9562 -23.5866 -23.5866 -17.7790 -17.7790 -17.6110 -17.6110 -15.2414 -15.2414 -14.9837 -14.9837 -14.2947 -14.2947 -14.1796 -14.1796 -14.0762 -14.0762 -7.3438 -7.3438 -7.0924 -7.0924 -7.0826 -7.0826 -2.9221 -2.9221 -1.4989 -1.4989 -1.4699 -1.4699 -1.2290 -1.2290 0.3657 0.3657 1.2064 1.2064 1.2443 1.2443 2.1698 2.1698 2.6209 2.6209 2.7001 2.7001 2.9095 2.9095 3.9140 3.9140 10.0371 10.0371 11.2296 11.2296 11.2504 11.2504 11.4895 11.4895 11.5879 11.5879 k = 0.2917 0.1684 0.5725 ( 4024 PWs) bands (ev): -33.9561 -33.9561 -23.5865 -23.5865 -17.7793 -17.7793 -17.6133 -17.6133 -15.2457 -15.2457 -14.9864 -14.9864 -14.2954 -14.2954 -14.1771 -14.1771 -14.0674 -14.0674 -7.3425 -7.3425 -7.0892 -7.0892 -7.0831 -7.0831 -2.9026 -2.9026 -1.5092 -1.5092 -1.4662 -1.4662 -1.2199 -1.2199 0.3639 0.3639 1.2067 1.2067 1.2437 1.2437 2.1283 2.1283 2.6118 2.6118 2.6889 2.6889 2.9102 2.9102 3.8847 3.8847 10.0607 10.0607 11.2511 11.2511 11.2656 11.2656 11.5050 11.5050 11.6492 11.6492 k = 0.3056 0.1764 0.5725 ( 4032 PWs) bands (ev): -33.9561 -33.9561 -23.5864 -23.5864 -17.7796 -17.7796 -17.6156 -17.6156 -15.2499 -15.2499 -14.9890 -14.9890 -14.2960 -14.2960 -14.1746 -14.1746 -14.0589 -14.0589 -7.3413 -7.3413 -7.0862 -7.0862 -7.0834 -7.0834 -2.8832 -2.8832 -1.5192 -1.5192 -1.4624 -1.4624 -1.2109 -1.2109 0.3620 0.3620 1.2069 1.2069 1.2429 1.2429 2.0877 2.0877 2.6028 2.6028 2.6783 2.6783 2.9110 2.9110 3.8564 3.8564 10.0837 10.0837 11.2713 11.2713 11.2815 11.2815 11.5207 11.5207 11.7124 11.7124 k = 0.3194 0.1844 0.5725 ( 4032 PWs) bands (ev): -33.9560 -33.9560 -23.5862 -23.5862 -17.7799 -17.7799 -17.6178 -17.6178 -15.2539 -15.2539 -14.9914 -14.9914 -14.2966 -14.2966 -14.1721 -14.1721 -14.0507 -14.0507 -7.3402 -7.3402 -7.0845 -7.0845 -7.0824 -7.0824 -2.8642 -2.8642 -1.5287 -1.5287 -1.4587 -1.4587 -1.2022 -1.2022 0.3601 0.3601 1.2068 1.2068 1.2419 1.2419 2.0483 2.0483 2.5940 2.5940 2.6685 2.6685 2.9117 2.9117 3.8291 3.8291 10.1060 10.1060 11.2891 11.2891 11.2989 11.2989 11.5364 11.5364 11.7770 11.7770 k = 0.3333 0.1925 0.5725 ( 4028 PWs) bands (ev): -33.9560 -33.9560 -23.5861 -23.5861 -17.7802 -17.7802 -17.6198 -17.6198 -15.2579 -15.2579 -14.9936 -14.9936 -14.2971 -14.2971 -14.1697 -14.1697 -14.0430 -14.0430 -7.3391 -7.3391 -7.0847 -7.0847 -7.0797 -7.0797 -2.8456 -2.8456 -1.5378 -1.5378 -1.4549 -1.4549 -1.1937 -1.1937 0.3580 0.3580 1.2065 1.2065 1.2407 1.2407 2.0104 2.0104 2.5854 2.5854 2.6595 2.6595 2.9124 2.9124 3.8032 3.8032 10.1274 10.1274 11.3044 11.3044 11.3177 11.3177 11.5520 11.5520 11.8424 11.8424 k = 0.3472 0.2005 0.5725 ( 4036 PWs) bands (ev): -33.9560 -33.9560 -23.5860 -23.5860 -17.7805 -17.7805 -17.6218 -17.6218 -15.2617 -15.2617 -14.9957 -14.9957 -14.2976 -14.2976 -14.1674 -14.1674 -14.0357 -14.0357 -7.3382 -7.3382 -7.0851 -7.0851 -7.0769 -7.0769 -2.8277 -2.8277 -1.5463 -1.5463 -1.4513 -1.4513 -1.1856 -1.1856 0.3560 0.3560 1.2059 1.2059 1.2395 1.2395 1.9743 1.9743 2.5772 2.5772 2.6513 2.6513 2.9131 2.9131 3.7787 3.7787 10.1478 10.1478 11.3182 11.3182 11.3367 11.3367 11.5672 11.5672 11.9080 11.9080 k = 0.3611 0.2085 0.5725 ( 4034 PWs) bands (ev): -33.9559 -33.9559 -23.5859 -23.5859 -17.7807 -17.7807 -17.6237 -17.6237 -15.2653 -15.2653 -14.9975 -14.9975 -14.2980 -14.2980 -14.1653 -14.1653 -14.0290 -14.0290 -7.3374 -7.3374 -7.0855 -7.0855 -7.0742 -7.0742 -2.8106 -2.8106 -1.5542 -1.5542 -1.4478 -1.4478 -1.1779 -1.1779 0.3539 0.3539 1.2051 1.2051 1.2384 1.2384 1.9402 1.9402 2.5693 2.5693 2.6439 2.6439 2.9137 2.9137 3.7559 3.7559 10.1670 10.1670 11.3310 11.3310 11.3552 11.3552 11.5819 11.5819 11.9730 11.9730 k = 0.3750 0.2165 0.5725 ( 4030 PWs) bands (ev): -33.9559 -33.9559 -23.5859 -23.5859 -17.7809 -17.7809 -17.6254 -17.6254 -15.2686 -15.2686 -14.9992 -14.9992 -14.2984 -14.2984 -14.1632 -14.1632 -14.0227 -14.0227 -7.3366 -7.3366 -7.0858 -7.0858 -7.0717 -7.0717 -2.7945 -2.7945 -1.5615 -1.5615 -1.4445 -1.4445 -1.1706 -1.1706 0.3518 0.3518 1.2040 1.2040 1.2373 1.2373 1.9085 1.9085 2.5620 2.5620 2.6373 2.6373 2.9143 2.9143 3.7349 3.7349 10.1849 10.1849 11.3430 11.3430 11.3727 11.3727 11.5959 11.5959 12.0366 12.0366 k = 0.3889 0.2245 0.5725 ( 4040 PWs) bands (ev): -33.9559 -33.9559 -23.5858 -23.5858 -17.7812 -17.7812 -17.6270 -17.6270 -15.2717 -15.2717 -15.0008 -15.0008 -14.2987 -14.2987 -14.1613 -14.1613 -14.0171 -14.0171 -7.3360 -7.3360 -7.0862 -7.0862 -7.0695 -7.0695 -2.7796 -2.7796 -1.5681 -1.5681 -1.4413 -1.4413 -1.1640 -1.1640 0.3498 0.3498 1.2027 1.2027 1.2364 1.2364 1.8794 1.8794 2.5551 2.5551 2.6316 2.6316 2.9149 2.9149 3.7157 3.7157 10.2013 10.2013 11.3539 11.3539 11.3891 11.3891 11.6090 11.6090 12.0979 12.0979 k = 0.4028 0.2325 0.5725 ( 4048 PWs) bands (ev): -33.9558 -33.9558 -23.5857 -23.5857 -17.7814 -17.7814 -17.6284 -17.6284 -15.2745 -15.2745 -15.0022 -15.0022 -14.2990 -14.2990 -14.1596 -14.1596 -14.0120 -14.0120 -7.3354 -7.3354 -7.0865 -7.0865 -7.0674 -7.0674 -2.7660 -2.7660 -1.5739 -1.5739 -1.4385 -1.4385 -1.1580 -1.1580 0.3479 0.3479 1.2012 1.2012 1.2356 1.2356 1.8532 1.8532 2.5489 2.5489 2.6265 2.6265 2.9153 2.9153 3.6985 3.6985 10.2161 10.2161 11.3638 11.3638 11.4042 11.4042 11.6210 11.6210 12.1557 12.1557 k = 0.4167 0.2406 0.5725 ( 4044 PWs) bands (ev): -33.9558 -33.9558 -23.5856 -23.5856 -17.7815 -17.7815 -17.6296 -17.6296 -15.2769 -15.2769 -15.0033 -15.0033 -14.2993 -14.2993 -14.1581 -14.1581 -14.0075 -14.0075 -7.3349 -7.3349 -7.0867 -7.0867 -7.0656 -7.0656 -2.7539 -2.7539 -1.5791 -1.5791 -1.4359 -1.4359 -1.1526 -1.1526 0.3462 0.3462 1.1997 1.1997 1.2350 1.2350 1.8299 1.8299 2.5434 2.5434 2.6223 2.6223 2.9158 2.9158 3.6835 3.6835 10.2292 10.2292 11.3726 11.3726 11.4179 11.4179 11.6318 11.6318 12.2090 12.2090 k = 0.4306 0.2486 0.5725 ( 4040 PWs) bands (ev): -33.9558 -33.9558 -23.5856 -23.5856 -17.7817 -17.7817 -17.6307 -17.6307 -15.2790 -15.2790 -15.0043 -15.0043 -14.2995 -14.2995 -14.1568 -14.1568 -14.0037 -14.0037 -7.3345 -7.3345 -7.0870 -7.0870 -7.0640 -7.0640 -2.7434 -2.7434 -1.5834 -1.5834 -1.4336 -1.4336 -1.1480 -1.1480 0.3446 0.3446 1.1982 1.1982 1.2345 1.2345 1.8100 1.8100 2.5386 2.5386 2.6187 2.6187 2.9161 2.9161 3.6706 3.6706 10.2404 10.2404 11.3802 11.3802 11.4298 11.4298 11.6413 11.6413 12.2565 12.2565 k = 0.4444 0.2566 0.5725 ( 4036 PWs) bands (ev): -33.9558 -33.9558 -23.5855 -23.5855 -17.7818 -17.7818 -17.6316 -17.6316 -15.2808 -15.2808 -15.0051 -15.0051 -14.2996 -14.2996 -14.1557 -14.1557 -14.0006 -14.0006 -7.3342 -7.3342 -7.0872 -7.0872 -7.0627 -7.0627 -2.7346 -2.7346 -1.5870 -1.5870 -1.4317 -1.4317 -1.1441 -1.1441 0.3433 0.3433 1.1969 1.1969 1.2342 1.2342 1.7934 1.7934 2.5346 2.5346 2.6159 2.6159 2.9165 2.9165 3.6600 3.6600 10.2498 10.2498 11.3866 11.3866 11.4398 11.4398 11.6492 11.6492 12.2970 12.2970 k = 0.4583 0.2646 0.5725 ( 4036 PWs) bands (ev): -33.9558 -33.9558 -23.5855 -23.5855 -17.7819 -17.7819 -17.6323 -17.6323 -15.2821 -15.2821 -15.0058 -15.0058 -14.2997 -14.2997 -14.1548 -14.1548 -13.9981 -13.9981 -7.3339 -7.3339 -7.0873 -7.0873 -7.0617 -7.0617 -2.7277 -2.7277 -1.5898 -1.5898 -1.4302 -1.4302 -1.1411 -1.1411 0.3422 0.3422 1.1957 1.1957 1.2339 1.2339 1.7803 1.7803 2.5314 2.5314 2.6137 2.6137 2.9167 2.9167 3.6516 3.6516 10.2572 10.2572 11.3916 11.3916 11.4478 11.4478 11.6555 11.6555 12.3296 12.3296 k = 0.4722 0.2726 0.5725 ( 4036 PWs) bands (ev): -33.9558 -33.9558 -23.5855 -23.5855 -17.7820 -17.7820 -17.6328 -17.6328 -15.2832 -15.2832 -15.0063 -15.0063 -14.2998 -14.2998 -14.1542 -14.1542 -13.9964 -13.9964 -7.3337 -7.3337 -7.0874 -7.0874 -7.0609 -7.0609 -2.7227 -2.7227 -1.5918 -1.5918 -1.4291 -1.4291 -1.1389 -1.1389 0.3414 0.3414 1.1948 1.1948 1.2337 1.2337 1.7709 1.7709 2.5291 2.5291 2.6121 2.6121 2.9169 2.9169 3.6457 3.6457 10.2625 10.2625 11.3951 11.3951 11.4537 11.4537 11.6601 11.6601 12.3535 12.3535 k = 0.4861 0.2807 0.5725 ( 4044 PWs) bands (ev): -33.9558 -33.9558 -23.5855 -23.5855 -17.7820 -17.7820 -17.6331 -17.6331 -15.2838 -15.2838 -15.0066 -15.0066 -14.2999 -14.2999 -14.1538 -14.1538 -13.9953 -13.9953 -7.3336 -7.3336 -7.0875 -7.0875 -7.0605 -7.0605 -2.7197 -2.7197 -1.5930 -1.5930 -1.4285 -1.4285 -1.1376 -1.1376 0.3409 0.3409 1.1942 1.1942 1.2336 1.2336 1.7653 1.7653 2.5277 2.5277 2.6112 2.6112 2.9170 2.9170 3.6421 3.6421 10.2657 10.2657 11.3973 11.3973 11.4572 11.4572 11.6629 11.6629 12.3680 12.3680 k = 0.5000 0.2887 0.5725 ( 4052 PWs) bands (ev): -33.9558 -33.9558 -23.5855 -23.5855 -17.7820 -17.7820 -17.6332 -17.6332 -15.2840 -15.2840 -15.0067 -15.0067 -14.2999 -14.2999 -14.1537 -14.1537 -13.9950 -13.9950 -7.3336 -7.3336 -7.0875 -7.0875 -7.0604 -7.0604 -2.7187 -2.7187 -1.5934 -1.5934 -1.4283 -1.4283 -1.1372 -1.1372 0.3407 0.3407 1.1940 1.1940 1.2336 1.2336 1.7634 1.7634 2.5273 2.5273 2.6109 2.6109 2.9170 2.9170 3.6409 3.6409 10.2667 10.2667 11.3980 11.3980 11.4584 11.4584 11.6638 11.6638 12.3728 12.3728 k = 0.5000 0.2887 0.5725 ( 4052 PWs) bands (ev): -33.9558 -33.9558 -23.5855 -23.5855 -17.7820 -17.7820 -17.6332 -17.6332 -15.2840 -15.2840 -15.0067 -15.0067 -14.2999 -14.2999 -14.1537 -14.1537 -13.9950 -13.9950 -7.3336 -7.3336 -7.0875 -7.0875 -7.0604 -7.0604 -2.7187 -2.7187 -1.5934 -1.5934 -1.4283 -1.4283 -1.1372 -1.1372 0.3407 0.3407 1.1940 1.1940 1.2336 1.2336 1.7634 1.7634 2.5273 2.5273 2.6109 2.6109 2.9170 2.9170 3.6409 3.6409 10.2667 10.2667 11.3980 11.3980 11.4584 11.4584 11.6638 11.6638 12.3728 12.3728 k = 0.4921 0.3024 0.5725 ( 4048 PWs) bands (ev): -33.9558 -33.9558 -23.5855 -23.5855 -17.7821 -17.7820 -17.6335 -17.6329 -15.2977 -15.2709 -15.0221 -14.9900 -14.3002 -14.2996 -14.1548 -14.1539 -13.9977 -13.9915 -7.3351 -7.3321 -7.0898 -7.0853 -7.0609 -7.0597 -2.7182 -2.7180 -1.5949 -1.5939 -1.4283 -1.4280 -1.1370 -1.1358 0.3406 0.3407 1.1834 1.2016 1.2256 1.2441 1.7629 1.7640 2.5262 2.5270 2.6110 2.6114 2.9167 2.9169 3.6402 3.6402 10.2671 10.2671 11.3977 11.3991 11.4585 11.4597 11.6655 11.6658 12.3732 12.3736 k = 0.4841 0.3162 0.5725 ( 4036 PWs) bands (ev): -33.9558 -33.9558 -23.5855 -23.5855 -17.7821 -17.7820 -17.6339 -17.6327 -15.3117 -15.2588 -15.0360 -14.9725 -14.3004 -14.2991 -14.1570 -14.1554 -13.9997 -13.9873 -7.3366 -7.3305 -7.0920 -7.0831 -7.0613 -7.0590 -2.7166 -2.7162 -1.5985 -1.5965 -1.4280 -1.4274 -1.1351 -1.1329 0.3405 0.3406 1.1717 1.1998 1.2264 1.2549 1.7626 1.7647 2.5237 2.5253 2.6117 2.6124 2.9161 2.9165 3.6382 3.6382 10.2681 10.2682 11.3980 11.4009 11.4601 11.4625 11.6709 11.6715 12.3747 12.3756 k = 0.4762 0.3299 0.5725 ( 4044 PWs) bands (ev): -33.9557 -33.9557 -23.5854 -23.5854 -17.7822 -17.7820 -17.6343 -17.6325 -15.3259 -15.2483 -15.0479 -14.9544 -14.3006 -14.2986 -14.1603 -14.1583 -14.0008 -13.9827 -7.3380 -7.3290 -7.0942 -7.0810 -7.0617 -7.0582 -2.7138 -2.7134 -1.6040 -1.6010 -1.4274 -1.4265 -1.1319 -1.1285 0.3403 0.3403 1.1596 1.1902 1.2343 1.2656 1.7623 1.7655 2.5199 2.5223 2.6130 2.6140 2.9151 2.9157 3.6348 3.6348 10.2698 10.2699 11.3992 11.4033 11.4632 11.4666 11.6800 11.6809 12.3774 12.3787 k = 0.4683 0.3437 0.5725 ( 4036 PWs) bands (ev): -33.9557 -33.9557 -23.5854 -23.5854 -17.7822 -17.7820 -17.6347 -17.6323 -15.3400 -15.2397 -15.0573 -14.9358 -14.3007 -14.2980 -14.1644 -14.1625 -14.0011 -13.9778 -7.3394 -7.3275 -7.0964 -7.0789 -7.0619 -7.0573 -2.7100 -2.7094 -1.6111 -1.6073 -1.4265 -1.4253 -1.1273 -1.1229 0.3400 0.3401 1.1474 1.1786 1.2436 1.2758 1.7622 1.7664 2.5148 2.5180 2.6148 2.6162 2.9138 2.9146 3.6302 3.6303 10.2721 10.2723 11.4011 11.4064 11.4675 11.4719 11.6927 11.6938 12.3813 12.3829 k = 0.4603 0.3574 0.5725 ( 4036 PWs) bands (ev): -33.9557 -33.9557 -23.5854 -23.5854 -17.7823 -17.7820 -17.6351 -17.6322 -15.3538 -15.2337 -15.0637 -14.9169 -14.3007 -14.2973 -14.1691 -14.1679 -14.0006 -13.9727 -7.3408 -7.3260 -7.0985 -7.0769 -7.0620 -7.0564 -2.7052 -2.7044 -1.6198 -1.6152 -1.4254 -1.4239 -1.1215 -1.1162 0.3396 0.3397 1.1350 1.1664 1.2529 1.2856 1.7621 1.7674 2.5085 2.5126 2.6171 2.6188 2.9122 2.9132 3.6245 3.6246 10.2751 10.2753 11.4039 11.4102 11.4731 11.4782 11.7086 11.7101 12.3862 12.3883 k = 0.4524 0.3712 0.5725 ( 4036 PWs) bands (ev): -33.9557 -33.9557 -23.5854 -23.5854 -17.7824 -17.7820 -17.6356 -17.6321 -15.3673 -15.2305 -15.0669 -14.8980 -14.3007 -14.2965 -14.1745 -14.1743 -13.9996 -13.9675 -7.3421 -7.3245 -7.1006 -7.0750 -7.0621 -7.0554 -2.6995 -2.6986 -1.6296 -1.6244 -1.4240 -1.4222 -1.1149 -1.1088 0.3391 0.3393 1.1228 1.1541 1.2619 1.2948 1.7621 1.7684 2.5012 2.5061 2.6199 2.6219 2.9103 2.9114 3.6178 3.6179 10.2786 10.2789 11.4075 11.4148 11.4798 11.4855 11.7278 11.7296 12.3923 12.3947 k = 0.4444 0.3849 0.5725 ( 4048 PWs) bands (ev): -33.9557 -33.9557 -23.5854 -23.5854 -17.7825 -17.7820 -17.6360 -17.6321 -15.3803 -15.2304 -15.0668 -14.8792 -14.3007 -14.2956 -14.1816 -14.1802 -13.9980 -13.9623 -7.3434 -7.3231 -7.1027 -7.0731 -7.0620 -7.0544 -2.6929 -2.6919 -1.6404 -1.6345 -1.4225 -1.4204 -1.1076 -1.1008 0.3386 0.3387 1.1106 1.1419 1.2704 1.3034 1.7620 1.7694 2.4929 2.4986 2.6230 2.6254 2.9081 2.9095 3.6102 3.6103 10.2826 10.2829 11.4119 11.4199 11.4873 11.4935 11.7498 11.7520 12.3994 12.4022 k = 0.4365 0.3986 0.5725 ( 4044 PWs) bands (ev): -33.9557 -33.9557 -23.5854 -23.5854 -17.7826 -17.7820 -17.6365 -17.6321 -15.3928 -15.2328 -15.0638 -14.8606 -14.3006 -14.2945 -14.1896 -14.1862 -13.9961 -13.9572 -7.3446 -7.3218 -7.1046 -7.0714 -7.0619 -7.0533 -2.6856 -2.6844 -1.6518 -1.6455 -1.4207 -1.4184 -1.0999 -1.0924 0.3380 0.3382 1.0988 1.1300 1.2783 1.3114 1.7620 1.7704 2.4839 2.4905 2.6265 2.6292 2.9058 2.9073 3.6019 3.6020 10.2870 10.2874 11.4170 11.4257 11.4956 11.5022 11.7746 11.7771 12.4075 12.4107 k = 0.4286 0.4124 0.5725 ( 4048 PWs) bands (ev): -33.9557 -33.9557 -23.5853 -23.5853 -17.7827 -17.7821 -17.6370 -17.6321 -15.4045 -15.2372 -15.0586 -14.8424 -14.3005 -14.2933 -14.1981 -14.1924 -13.9939 -13.9523 -7.3458 -7.3205 -7.1065 -7.0698 -7.0616 -7.0522 -2.6777 -2.6764 -1.6637 -1.6569 -1.4188 -1.4163 -1.0920 -1.0839 0.3374 0.3376 1.0873 1.1184 1.2856 1.3188 1.7618 1.7714 2.4744 2.4817 2.6302 2.6332 2.9032 2.9049 3.5931 3.5931 10.2917 10.2922 11.4228 11.4320 11.5043 11.5113 11.8016 11.8046 12.4165 12.4201 k = 0.4206 0.4261 0.5725 ( 4052 PWs) bands (ev): -33.9557 -33.9557 -23.5853 -23.5853 -17.7828 -17.7821 -17.6375 -17.6322 -15.4156 -15.2429 -15.0519 -14.8249 -14.3003 -14.2919 -14.2069 -14.1987 -13.9916 -13.9476 -7.3468 -7.3192 -7.1082 -7.0682 -7.0614 -7.0512 -2.6694 -2.6679 -1.6757 -1.6685 -1.4169 -1.4141 -1.0841 -1.0754 0.3367 0.3369 1.0764 1.1073 1.2923 1.3255 1.7616 1.7721 2.4645 2.4726 2.6341 2.6374 2.9005 2.9024 3.5839 3.5839 10.2968 10.2972 11.4292 11.4388 11.5134 11.5205 11.8307 11.8342 12.4263 12.4301 k = 0.4127 0.4399 0.5725 ( 4056 PWs) bands (ev): -33.9557 -33.9557 -23.5853 -23.5853 -17.7828 -17.7822 -17.6380 -17.6323 -15.4258 -15.2493 -15.0444 -14.8080 -14.3001 -14.2904 -14.2158 -14.2049 -13.9892 -13.9432 -7.3478 -7.3181 -7.1098 -7.0668 -7.0610 -7.0501 -2.6608 -2.6591 -1.6877 -1.6801 -1.4148 -1.4118 -1.0763 -1.0672 0.3360 0.3363 1.0659 1.0967 1.2983 1.3316 1.7613 1.7728 2.4544 2.4633 2.6380 2.6417 2.8977 2.8999 3.5745 3.5746 10.3019 10.3024 11.4360 11.4460 11.5226 11.5299 11.8613 11.8653 12.4278 12.4368 k = 0.4048 0.4536 0.5725 ( 4064 PWs) bands (ev): -33.9557 -33.9557 -23.5853 -23.5853 -17.7830 -17.7822 -17.6385 -17.6324 -15.4352 -15.2559 -15.0366 -14.7921 -14.2998 -14.2887 -14.2245 -14.2111 -13.9869 -13.9391 -7.3487 -7.3170 -7.1114 -7.0656 -7.0607 -7.0491 -2.6520 -2.6503 -1.6993 -1.6914 -1.4128 -1.4096 -1.0688 -1.0594 0.3353 0.3356 1.0562 1.0869 1.3037 1.3370 1.7607 1.7732 2.4444 2.4541 2.6420 2.6459 2.8949 2.8973 3.5652 3.5653 10.3072 10.3077 11.4431 11.4535 11.5317 11.5391 11.8930 11.8976 12.4143 12.4189 k = 0.3968 0.4674 0.5725 ( 4064 PWs) bands (ev): -33.9557 -33.9557 -23.5853 -23.5853 -17.7830 -17.7823 -17.6390 -17.6325 -15.4437 -15.2624 -15.0290 -14.7773 -14.2995 -14.2868 -14.2331 -14.2172 -13.9846 -13.9354 -7.3495 -7.3160 -7.1127 -7.0644 -7.0603 -7.0481 -2.6434 -2.6415 -1.7103 -1.7022 -1.4108 -1.4074 -1.0619 -1.0520 0.3346 0.3349 1.0472 1.0778 1.3085 1.3418 1.7600 1.7734 2.4347 2.4451 2.6458 2.6499 2.8922 2.8948 3.5562 3.5563 10.3123 10.3129 11.4503 11.4610 11.5405 11.5480 11.9253 11.9307 12.4006 12.4058 k = 0.3889 0.4811 0.5725 ( 4058 PWs) bands (ev): -33.9557 -33.9557 -23.5852 -23.5852 -17.7831 -17.7823 -17.6394 -17.6327 -15.4512 -15.2685 -15.0218 -14.7638 -14.2991 -14.2847 -14.2411 -14.2230 -13.9825 -13.9320 -7.3502 -7.3151 -7.1139 -7.0634 -7.0599 -7.0472 -2.6350 -2.6330 -1.7207 -1.7123 -1.4089 -1.4053 -1.0554 -1.0453 0.3340 0.3342 1.0391 1.0695 1.3127 1.3460 1.7591 1.7733 2.4255 2.4367 2.6493 2.6538 2.8896 2.8923 3.5476 3.5477 10.3173 10.3179 11.4575 11.4685 11.5489 11.5564 11.9576 11.9638 12.3862 12.3922 k = 0.3810 0.4949 0.5725 ( 4062 PWs) bands (ev): -33.9557 -33.9557 -23.5852 -23.5852 -17.7832 -17.7824 -17.6399 -17.6328 -15.4578 -15.2741 -15.0153 -14.7517 -14.2987 -14.2825 -14.2486 -14.2285 -13.9806 -13.9290 -7.3508 -7.3143 -7.1150 -7.0626 -7.0595 -7.0464 -2.6271 -2.6250 -1.7301 -1.7215 -1.4071 -1.4034 -1.0497 -1.0393 0.3333 0.3336 1.0319 1.0622 1.3163 1.3495 1.7581 1.7730 2.4171 2.4289 2.6526 2.6573 2.8871 2.8901 3.5396 3.5397 10.3221 10.3227 11.4645 11.4756 11.5566 11.5641 11.9891 11.9964 12.3713 12.3784 k = 0.3730 0.5086 0.5725 ( 4070 PWs) bands (ev): -33.9557 -33.9557 -23.5852 -23.5852 -17.7833 -17.7824 -17.6402 -17.6330 -15.4634 -15.2789 -15.0096 -14.7413 -14.2983 -14.2801 -14.2553 -14.2337 -13.9788 -13.9264 -7.3513 -7.3136 -7.1159 -7.0618 -7.0591 -7.0456 -2.6198 -2.6177 -1.7384 -1.7297 -1.4055 -1.4017 -1.0447 -1.0341 0.3327 0.3330 1.0257 1.0559 1.3192 1.3525 1.7569 1.7725 2.4096 2.4219 2.6555 2.6604 2.8850 2.8881 3.5324 3.5326 10.3264 10.3270 11.4709 11.4822 11.5634 11.5709 12.0191 12.0276 12.3562 12.3645 k = 0.3651 0.5224 0.5725 ( 4066 PWs) bands (ev): -33.9557 -33.9557 -23.5852 -23.5852 -17.7833 -17.7824 -17.6406 -17.6331 -15.4680 -15.2830 -15.0048 -14.7326 -14.2978 -14.2777 -14.2610 -14.2383 -13.9774 -13.9243 -7.3517 -7.3130 -7.1167 -7.0612 -7.0587 -7.0450 -2.6135 -2.6113 -1.7454 -1.7366 -1.4041 -1.4002 -1.0405 -1.0298 0.3322 0.3325 1.0206 1.0507 1.3216 1.3549 1.7556 1.7717 2.4033 2.4160 2.6579 2.6630 2.8831 2.8864 3.5263 3.5264 10.3301 10.3308 11.4766 11.4881 11.5693 11.5768 12.0466 12.0566 12.3415 12.3513 k = 0.3571 0.5361 0.5725 ( 4066 PWs) bands (ev): -33.9556 -33.9556 -23.5852 -23.5852 -17.7834 -17.7824 -17.6408 -17.6333 -15.4716 -15.2862 -15.0011 -14.7258 -14.2973 -14.2754 -14.2656 -14.2424 -13.9762 -13.9226 -7.3521 -7.3126 -7.1173 -7.0608 -7.0584 -7.0445 -2.6084 -2.6060 -1.7510 -1.7421 -1.4030 -1.3990 -1.0372 -1.0263 0.3317 0.3320 1.0165 1.0465 1.3234 1.3566 1.7544 1.7709 2.3982 2.4113 2.6598 2.6651 2.8816 2.8850 3.5213 3.5214 10.3333 10.3339 11.4815 11.4930 11.5741 11.5815 12.0704 12.0821 12.3278 12.3393 k = 0.3492 0.5499 0.5725 ( 4064 PWs) bands (ev): -33.9556 -33.9556 -23.5851 -23.5851 -17.7834 -17.7825 -17.6410 -17.6334 -15.4741 -15.2885 -14.9984 -14.7209 -14.2969 -14.2733 -14.2690 -14.2457 -13.9754 -13.9214 -7.3523 -7.3123 -7.1177 -7.0604 -7.0582 -7.0441 -2.6045 -2.6021 -1.7551 -1.7461 -1.4021 -1.3981 -1.0348 -1.0238 0.3314 0.3317 1.0136 1.0436 1.3247 1.3579 1.7533 1.7702 2.3945 2.4078 2.6612 2.6665 2.8805 2.8840 3.5175 3.5177 10.3356 10.3363 11.4851 11.4968 11.5776 11.5850 12.0890 12.1025 12.3164 12.3296 k = 0.3413 0.5636 0.5725 ( 4052 PWs) bands (ev): -33.9556 -33.9556 -23.5851 -23.5851 -17.7834 -17.7825 -17.6411 -17.6334 -15.4756 -15.2899 -14.9968 -14.7179 -14.2967 -14.2718 -14.2710 -14.2480 -13.9748 -13.9206 -7.3524 -7.3121 -7.1179 -7.0602 -7.0581 -7.0438 -2.6020 -2.5996 -1.7576 -1.7486 -1.4016 -1.3975 -1.0334 -1.0223 0.3311 0.3315 1.0119 1.0418 1.3254 1.3587 1.7525 1.7695 2.3922 2.4057 2.6620 2.6674 2.8799 2.8834 3.5152 3.5154 10.3371 10.3378 11.4875 11.4991 11.5797 11.5871 12.1009 12.1158 12.3089 12.3235 k = 0.3333 0.5774 0.5725 ( 4044 PWs) bands (ev): -33.9556 -33.9556 -23.5851 -23.5851 -17.7834 -17.7825 -17.6412 -17.6335 -15.4761 -15.2903 -14.9963 -14.7169 -14.2966 -14.2717 -14.2712 -14.2487 -13.9746 -13.9203 -7.3524 -7.3120 -7.1180 -7.0601 -7.0580 -7.0437 -2.6012 -2.5988 -1.7584 -1.7494 -1.4014 -1.3973 -1.0329 -1.0218 0.3311 0.3314 1.0113 1.0412 1.3257 1.3589 1.7522 1.7693 2.3915 2.4050 2.6623 2.6677 2.8797 2.8832 3.5144 3.5146 10.3377 10.3383 11.4883 11.5000 11.5804 11.5878 12.1050 12.1204 12.3063 12.3214 k = 0.3333 0.5774 0.5725 ( 4044 PWs) bands (ev): -33.9556 -33.9556 -23.5851 -23.5851 -17.7834 -17.7825 -17.6412 -17.6335 -15.4761 -15.2903 -14.9963 -14.7169 -14.2966 -14.2717 -14.2712 -14.2487 -13.9746 -13.9203 -7.3524 -7.3120 -7.1180 -7.0601 -7.0580 -7.0437 -2.6012 -2.5988 -1.7584 -1.7494 -1.4014 -1.3973 -1.0329 -1.0218 0.3311 0.3314 1.0113 1.0412 1.3257 1.3589 1.7522 1.7693 2.3915 2.4050 2.6623 2.6677 2.8797 2.8832 3.5144 3.5146 10.3377 10.3383 11.4883 11.5000 11.5804 11.5878 12.1050 12.1204 12.3063 12.3214 k = 0.3254 0.5636 0.5725 ( 4052 PWs) bands (ev): -33.9556 -33.9556 -23.5851 -23.5851 -17.7834 -17.7825 -17.6411 -17.6334 -15.4756 -15.2899 -14.9968 -14.7179 -14.2966 -14.2718 -14.2710 -14.2480 -13.9748 -13.9206 -7.3524 -7.3121 -7.1179 -7.0602 -7.0581 -7.0438 -2.6021 -2.5997 -1.7576 -1.7486 -1.4016 -1.3975 -1.0334 -1.0223 0.3311 0.3315 1.0119 1.0418 1.3254 1.3587 1.7525 1.7696 2.3922 2.4057 2.6620 2.6674 2.8799 2.8834 3.5153 3.5154 10.3371 10.3378 11.4874 11.4991 11.5797 11.5871 12.1011 12.1160 12.3086 12.3232 k = 0.3175 0.5499 0.5725 ( 4064 PWs) bands (ev): -33.9556 -33.9556 -23.5851 -23.5851 -17.7834 -17.7825 -17.6410 -17.6334 -15.4741 -15.2885 -14.9983 -14.7206 -14.2968 -14.2731 -14.2693 -14.2460 -13.9754 -13.9214 -7.3523 -7.3123 -7.1177 -7.0604 -7.0582 -7.0441 -2.6047 -2.6023 -1.7551 -1.7461 -1.4021 -1.3981 -1.0348 -1.0238 0.3314 0.3318 1.0136 1.0435 1.3247 1.3580 1.7538 1.7707 2.3944 2.4078 2.6613 2.6667 2.8805 2.8839 3.5178 3.5179 10.3354 10.3361 11.4848 11.4965 11.5775 11.5849 12.0901 12.1037 12.3144 12.3278 k = 0.3095 0.5361 0.5725 ( 4070 PWs) bands (ev): -33.9556 -33.9556 -23.5852 -23.5852 -17.7834 -17.7824 -17.6408 -17.6332 -15.4717 -15.2863 -15.0007 -14.7249 -14.2969 -14.2750 -14.2666 -14.2432 -13.9764 -13.9227 -7.3521 -7.3126 -7.1173 -7.0607 -7.0586 -7.0446 -2.6091 -2.6068 -1.7510 -1.7421 -1.4031 -1.3991 -1.0373 -1.0264 0.3318 0.3322 1.0164 1.0464 1.3236 1.3569 1.7562 1.7729 2.3981 2.4113 2.6602 2.6655 2.8814 2.8848 3.5220 3.5222 10.3324 10.3331 11.4805 11.4920 11.5737 11.5812 12.0735 12.0857 12.3215 12.3334 k = 0.3016 0.5224 0.5725 ( 4062 PWs) bands (ev): -33.9557 -33.9557 -23.5852 -23.5852 -17.7833 -17.7824 -17.6404 -17.6329 -15.4683 -15.2831 -15.0039 -14.7307 -14.2970 -14.2770 -14.2633 -14.2399 -13.9778 -13.9246 -7.3519 -7.3131 -7.1167 -7.0611 -7.0590 -7.0452 -2.6153 -2.6131 -1.7454 -1.7366 -1.4045 -1.4005 -1.0407 -1.0300 0.3325 0.3328 1.0203 1.0504 1.3221 1.3554 1.7600 1.7763 2.4031 2.4160 2.6589 2.6640 2.8826 2.8859 3.5281 3.5282 10.3282 10.3288 11.4744 11.4859 11.5685 11.5761 12.0527 12.0635 12.3281 12.3387 k = 0.2937 0.5086 0.5725 ( 4062 PWs) bands (ev): -33.9557 -33.9557 -23.5852 -23.5852 -17.7832 -17.7823 -17.6399 -17.6326 -15.4641 -15.2791 -15.0078 -14.7377 -14.2970 -14.2790 -14.2593 -14.2363 -13.9796 -13.9270 -7.3515 -7.3136 -7.1160 -7.0616 -7.0597 -7.0461 -2.6233 -2.6211 -1.7384 -1.7297 -1.4062 -1.4024 -1.0451 -1.0345 0.3334 0.3337 1.0253 1.0554 1.3202 1.3535 1.7654 1.7812 2.4093 2.4219 2.6574 2.6624 2.8841 2.8873 3.5359 3.5361 10.3226 10.3232 11.4665 11.4780 11.5619 11.5695 12.0288 12.0383 12.3330 12.3423 k = 0.2857 0.4949 0.5725 ( 4062 PWs) bands (ev): -33.9557 -33.9557 -23.5852 -23.5852 -17.7831 -17.7823 -17.6393 -17.6322 -15.4589 -15.2744 -15.0123 -14.7457 -14.2970 -14.2810 -14.2550 -14.2326 -13.9819 -13.9300 -7.3512 -7.3143 -7.1152 -7.0622 -7.0604 -7.0471 -2.6329 -2.6308 -1.7301 -1.7215 -1.4083 -1.4046 -1.0504 -1.0400 0.3344 0.3347 1.0311 1.0614 1.3179 1.3512 1.7726 1.7879 2.4167 2.4289 2.6559 2.6606 2.8858 2.8888 3.5456 3.5458 10.3156 10.3162 11.4571 11.4684 11.5538 11.5615 12.0026 12.0111 12.3353 12.3436 k = 0.2778 0.4811 0.5725 ( 4058 PWs) bands (ev): -33.9557 -33.9557 -23.5853 -23.5853 -17.7830 -17.7822 -17.6385 -17.6316 -15.4530 -15.2689 -15.0173 -14.7547 -14.2968 -14.2828 -14.2505 -14.2289 -13.9846 -13.9336 -7.3508 -7.3152 -7.1142 -7.0628 -7.0614 -7.0484 -2.6442 -2.6421 -1.7207 -1.7122 -1.4108 -1.4071 -1.0566 -1.0465 0.3357 0.3360 1.0378 1.0682 1.3153 1.3486 1.7818 1.7965 2.4252 2.4369 2.6544 2.6590 2.8875 2.8904 3.5572 3.5573 10.3072 10.3078 11.4462 11.4574 11.5443 11.5521 11.9746 11.9822 12.3346 12.3420 k = 0.2698 0.4674 0.5725 ( 4054 PWs) bands (ev): -33.9557 -33.9557 -23.5853 -23.5853 -17.7828 -17.7820 -17.6376 -17.6309 -15.4462 -15.2628 -15.0227 -14.7643 -14.2966 -14.2845 -14.2459 -14.2253 -13.9878 -13.9377 -7.3503 -7.3161 -7.1131 -7.0636 -7.0624 -7.0499 -2.6569 -2.6550 -1.7102 -1.7019 -1.4136 -1.4101 -1.0637 -1.0538 0.3372 0.3374 1.0452 1.0758 1.3124 1.3458 1.7931 1.8073 2.4346 2.4458 2.6531 2.6575 2.8893 2.8921 3.5705 3.5706 10.2973 10.2979 11.4339 11.4451 11.5335 11.5414 11.9453 11.9522 12.3306 12.3374 k = 0.2619 0.4536 0.5725 ( 4058 PWs) bands (ev): -33.9557 -33.9557 -23.5854 -23.5854 -17.7827 -17.7819 -17.6366 -17.6301 -15.4388 -15.2561 -15.0283 -14.7744 -14.2963 -14.2861 -14.2412 -14.2218 -13.9915 -13.9425 -7.3499 -7.3171 -7.1119 -7.0646 -7.0636 -7.0516 -2.6710 -2.6692 -1.6989 -1.6908 -1.4167 -1.4133 -1.0716 -1.0620 0.3388 0.3391 1.0533 1.0840 1.3092 1.3426 1.8068 1.8203 2.4447 2.4555 2.6521 2.6563 2.8912 2.8938 3.5856 3.5857 10.2860 10.2866 11.4205 11.4315 11.5213 11.5293 11.9151 11.9213 12.3232 12.3281 k = 0.2540 0.4399 0.5725 ( 4050 PWs) bands (ev): -33.9557 -33.9557 -23.5854 -23.5854 -17.7825 -17.7818 -17.6354 -17.6292 -15.4306 -15.2489 -15.0340 -14.7849 -14.2960 -14.2875 -14.2367 -14.2184 -13.9957 -13.9479 -7.3495 -7.3183 -7.1105 -7.0658 -7.0646 -7.0535 -2.6864 -2.6846 -1.6868 -1.6789 -1.4201 -1.4169 -1.0803 -1.0710 0.3407 0.3409 1.0619 1.0928 1.3057 1.3391 1.8228 1.8356 2.4556 2.4659 2.6516 2.6555 2.8930 2.8954 3.6025 3.6026 10.2734 10.2739 11.4062 11.4171 11.5080 11.5161 11.8842 11.8899 12.2805 12.2849 k = 0.2460 0.4261 0.5725 ( 4054 PWs) bands (ev): -33.9558 -33.9558 -23.5855 -23.5855 -17.7823 -17.7816 -17.6341 -17.6282 -15.4218 -15.2414 -15.0397 -14.7957 -14.2956 -14.2888 -14.2323 -14.2152 -14.0003 -13.9538 -7.3491 -7.3196 -7.1091 -7.0675 -7.0655 -7.0557 -2.7029 -2.7012 -1.6740 -1.6663 -1.4237 -1.4207 -1.0897 -1.0807 0.3426 0.3428 1.0709 1.1019 1.3020 1.3355 1.8413 1.8534 2.4671 2.4769 2.6516 2.6553 2.8947 2.8970 3.6211 3.6212 10.2593 10.2598 11.3909 11.4017 11.4935 11.5017 11.8528 11.8581 12.2287 12.2327 k = 0.2381 0.4124 0.5725 ( 4050 PWs) bands (ev): -33.9558 -33.9558 -23.5856 -23.5856 -17.7820 -17.7814 -17.6326 -17.6270 -15.4125 -15.2336 -15.0452 -14.8065 -14.2952 -14.2899 -14.2281 -14.2122 -14.0055 -13.9604 -7.3487 -7.3209 -7.1077 -7.0693 -7.0664 -7.0580 -2.7203 -2.7188 -1.6608 -1.6533 -1.4276 -1.4247 -1.0997 -1.0910 0.3447 0.3449 1.0801 1.1114 1.2980 1.3315 1.8622 1.8737 2.4790 2.4883 2.6523 2.6558 2.8963 2.8985 3.6413 3.6414 10.2439 10.2444 11.3750 11.3857 11.4779 11.4863 11.8213 11.8262 12.1734 12.1771 k = 0.2302 0.3986 0.5725 ( 4048 PWs) bands (ev): -33.9558 -33.9558 -23.5857 -23.5857 -17.7818 -17.7812 -17.6310 -17.6258 -15.4027 -15.2258 -15.0503 -14.8174 -14.2947 -14.2909 -14.2242 -14.2094 -14.0111 -13.9675 -7.3483 -7.3224 -7.1061 -7.0713 -7.0672 -7.0605 -2.7387 -2.7373 -1.6472 -1.6399 -1.4316 -1.4289 -1.1103 -1.1020 0.3469 0.3470 1.0896 1.1209 1.2939 1.3274 1.8856 1.8965 2.4913 2.5002 2.6537 2.6569 2.8978 2.8998 3.6630 3.6631 10.2272 10.2277 11.3585 11.3691 11.4614 11.4698 11.7898 11.7944 12.1153 12.1186 k = 0.2222 0.3849 0.5725 ( 4046 PWs) bands (ev): -33.9559 -33.9559 -23.5857 -23.5857 -17.7815 -17.7810 -17.6293 -17.6244 -15.3924 -15.2180 -15.0549 -14.8281 -14.2942 -14.2918 -14.2206 -14.2069 -14.0171 -13.9752 -7.3480 -7.3239 -7.1045 -7.0736 -7.0681 -7.0632 -2.7578 -2.7565 -1.6332 -1.6262 -1.4358 -1.4332 -1.1213 -1.1134 0.3491 0.3492 1.0990 1.1305 1.2896 1.3231 1.9115 1.9216 2.5040 2.5123 2.6559 2.6589 2.8992 2.9011 3.6863 3.6864 10.2094 10.2098 11.3415 11.3520 11.4439 11.4524 11.7584 11.7627 12.0549 12.0579 k = 0.2143 0.3712 0.5725 ( 4038 PWs) bands (ev): -33.9559 -33.9559 -23.5858 -23.5858 -17.7813 -17.7808 -17.6274 -17.6228 -15.3817 -15.2106 -15.0585 -14.8386 -14.2937 -14.2926 -14.2174 -14.2046 -14.0237 -13.9835 -7.3478 -7.3255 -7.1028 -7.0759 -7.0689 -7.0661 -2.7775 -2.7763 -1.6190 -1.6122 -1.4401 -1.4377 -1.1328 -1.1252 0.3514 0.3515 1.1083 1.1400 1.2852 1.3187 1.9396 1.9491 2.5168 2.5247 2.6590 2.6618 2.9004 2.9021 3.7110 3.7110 10.1904 10.1908 11.3243 11.3346 11.4256 11.4342 11.7275 11.7315 11.9929 11.9955 k = 0.2063 0.3574 0.5725 ( 4030 PWs) bands (ev): -33.9559 -33.9559 -23.5859 -23.5859 -17.7810 -17.7805 -17.6255 -17.6212 -15.3708 -15.2037 -15.0612 -14.8489 -14.2932 -14.2931 -14.2145 -14.2026 -14.0306 -13.9923 -7.3477 -7.3273 -7.1012 -7.0785 -7.0698 -7.0692 -2.7977 -2.7966 -1.6046 -1.5981 -1.4444 -1.4422 -1.1445 -1.1373 0.3536 0.3537 1.1175 1.1492 1.2806 1.3141 1.9700 1.9789 2.5297 2.5371 2.6631 2.6657 2.9014 2.9031 3.7369 3.7370 10.1703 10.1707 11.3067 11.3170 11.4066 11.4153 11.6971 11.7009 11.9299 11.9322 k = 0.1984 0.3437 0.5725 ( 4038 PWs) bands (ev): -33.9560 -33.9560 -23.5860 -23.5860 -17.7807 -17.7803 -17.6234 -17.6194 -15.3596 -15.1976 -15.0626 -14.8588 -14.2937 -14.2925 -14.2120 -14.2009 -14.0380 -14.0016 -7.3477 -7.3291 -7.0995 -7.0811 -7.0724 -7.0706 -2.8182 -2.8172 -1.5901 -1.5838 -1.4488 -1.4468 -1.1565 -1.1497 0.3558 0.3559 1.1263 1.1581 1.2760 1.3093 2.0024 2.0107 2.5426 2.5496 2.6682 2.6705 2.9023 2.9038 3.7641 3.7641 10.1493 10.1497 11.2890 11.2991 11.3869 11.3957 11.6673 11.6709 11.8664 11.8684 k = 0.1905 0.3299 0.5725 ( 4038 PWs) bands (ev): -33.9560 -33.9560 -23.5861 -23.5861 -17.7804 -17.7800 -17.6212 -17.6175 -15.3483 -15.1926 -15.0624 -14.8683 -14.2941 -14.2919 -14.2099 -14.1994 -14.0458 -14.0114 -7.3477 -7.3309 -7.0978 -7.0839 -7.0757 -7.0714 -2.8390 -2.8381 -1.5755 -1.5696 -1.4531 -1.4513 -1.1687 -1.1622 0.3580 0.3581 1.1347 1.1665 1.2713 1.3045 2.0367 2.0444 2.5555 2.5621 2.6742 2.6764 2.9030 2.9045 3.7923 3.7923 10.1275 10.1278 11.2711 11.2810 11.3668 11.3757 11.6384 11.6418 11.8029 11.8047 k = 0.1825 0.3162 0.5725 ( 4038 PWs) bands (ev): -33.9560 -33.9560 -23.5862 -23.5862 -17.7801 -17.7797 -17.6189 -17.6156 -15.3369 -15.1888 -15.0606 -14.8773 -14.2944 -14.2913 -14.2081 -14.1982 -14.0539 -14.0216 -7.3479 -7.3328 -7.0961 -7.0868 -7.0791 -7.0721 -2.8599 -2.8591 -1.5610 -1.5553 -1.4574 -1.4558 -1.1809 -1.1748 0.3601 0.3602 1.1426 1.1744 1.2666 1.2996 2.0726 2.0797 2.5683 2.5745 2.6813 2.6832 2.9036 2.9049 3.8214 3.8215 10.1049 10.1052 11.2531 11.2629 11.3463 11.3552 11.6104 11.6137 11.7401 11.7415 k = 0.1746 0.3024 0.5725 ( 4034 PWs) bands (ev): -33.9561 -33.9561 -23.5864 -23.5864 -17.7797 -17.7794 -17.6166 -17.6135 -15.3254 -15.1862 -15.0571 -14.8858 -14.2946 -14.2907 -14.2066 -14.1973 -14.0623 -14.0322 -7.3482 -7.3348 -7.0945 -7.0897 -7.0826 -7.0728 -2.8809 -2.8801 -1.5465 -1.5411 -1.4617 -1.4602 -1.1930 -1.1873 0.3622 0.3622 1.1500 1.1816 1.2619 1.2946 2.1099 2.1165 2.5809 2.5867 2.6893 2.6911 2.9040 2.9053 3.8514 3.8514 10.0817 10.0820 11.2350 11.2446 11.3256 11.3345 11.5835 11.5866 11.6782 11.6794 k = 0.1667 0.2887 0.5725 ( 4018 PWs) bands (ev): -33.9561 -33.9561 -23.5865 -23.5865 -17.7794 -17.7792 -17.6141 -17.6114 -15.3140 -15.1847 -15.0521 -14.8937 -14.2947 -14.2900 -14.2056 -14.1965 -14.0710 -14.0431 -7.3487 -7.3368 -7.0929 -7.0927 -7.0861 -7.0734 -2.9017 -2.9010 -1.5322 -1.5270 -1.4658 -1.4645 -1.2051 -1.1997 0.3641 0.3641 1.1567 1.1881 1.2572 1.2896 2.1484 2.1545 2.5933 2.5987 2.6984 2.7000 2.9043 2.9054 3.8820 3.8821 10.0580 10.0583 11.2168 11.2261 11.3048 11.3136 11.5578 11.5608 11.6179 11.6188 k = 0.1587 0.2749 0.5725 ( 4022 PWs) bands (ev): -33.9562 -33.9562 -23.5866 -23.5866 -17.7791 -17.7789 -17.6117 -17.6093 -15.3028 -15.1843 -15.0457 -14.9010 -14.2946 -14.2893 -14.2048 -14.1961 -14.0799 -14.0543 -7.3493 -7.3389 -7.0957 -7.0915 -7.0894 -7.0740 -2.9223 -2.9217 -1.5180 -1.5131 -1.4699 -1.4687 -1.2169 -1.2119 0.3659 0.3659 1.1628 1.1939 1.2527 1.2846 2.1878 2.1934 2.6054 2.6104 2.7083 2.7097 2.9045 2.9055 3.9131 3.9132 10.0339 10.0342 11.1985 11.2074 11.2840 11.2927 11.5332 11.5360 11.5596 11.5603 k = 0.1508 0.2612 0.5725 ( 4010 PWs) bands (ev): -33.9562 -33.9562 -23.5867 -23.5867 -17.7787 -17.7785 -17.6092 -17.6070 -15.2918 -15.1846 -15.0382 -14.9076 -14.2944 -14.2886 -14.2044 -14.1958 -14.0889 -14.0658 -7.3500 -7.3410 -7.0987 -7.0935 -7.0895 -7.0745 -2.9426 -2.9421 -1.5040 -1.4994 -1.4738 -1.4727 -1.2285 -1.2238 0.3676 0.3676 1.1683 1.1988 1.2483 1.2796 2.2278 2.2330 2.6171 2.6218 2.7190 2.7203 2.9045 2.9055 3.9446 3.9447 10.0096 10.0098 11.1798 11.1883 11.2634 11.2720 11.5023 11.5026 11.5115 11.5143 k = 0.1429 0.2474 0.5725 ( 4014 PWs) bands (ev): -33.9562 -33.9562 -23.5868 -23.5868 -17.7784 -17.7782 -17.6067 -17.6048 -15.2811 -15.1855 -15.0300 -14.9136 -14.2942 -14.2879 -14.2042 -14.1958 -14.0981 -14.0774 -7.3508 -7.3431 -7.1017 -7.0969 -7.0881 -7.0750 -2.9625 -2.9620 -1.4903 -1.4860 -1.4775 -1.4766 -1.2398 -1.2354 0.3692 0.3692 1.1731 1.2029 1.2442 1.2746 2.2682 2.2729 2.6285 2.6329 2.7304 2.7315 2.9044 2.9053 3.9762 3.9763 9.9852 9.9854 11.1608 11.1687 11.2433 11.2515 11.4496 11.4497 11.4892 11.4919 k = 0.1349 0.2337 0.5725 ( 4010 PWs) bands (ev): -33.9563 -33.9563 -23.5869 -23.5869 -17.7781 -17.7779 -17.6042 -17.6026 -15.2708 -15.1867 -15.0213 -14.9189 -14.2938 -14.2872 -14.2043 -14.1960 -14.1073 -14.0890 -7.3518 -7.3453 -7.1047 -7.1004 -7.0868 -7.0754 -2.9819 -2.9815 -1.4810 -1.4802 -1.4769 -1.4729 -1.2508 -1.2467 0.3706 0.3706 1.1773 1.2060 1.2404 1.2696 2.3085 2.3129 2.6395 2.6435 2.7424 2.7435 2.9043 2.9051 4.0078 4.0079 9.9608 9.9609 11.1413 11.1484 11.2238 11.2314 11.3993 11.3996 11.4692 11.4718 k = 0.1270 0.2199 0.5725 ( 4022 PWs) bands (ev): -33.9563 -33.9563 -23.5871 -23.5871 -17.7778 -17.7776 -17.6017 -17.6003 -15.2610 -15.1880 -15.0124 -14.9235 -14.2933 -14.2866 -14.2047 -14.1963 -14.1165 -14.1007 -7.3529 -7.3475 -7.1076 -7.1039 -7.0855 -7.0758 -3.0006 -3.0003 -1.4844 -1.4837 -1.4639 -1.4601 -1.2613 -1.2574 0.3719 0.3720 1.1808 1.2080 1.2371 1.2648 2.3486 2.3526 2.6500 2.6538 2.7550 2.7558 2.9040 2.9047 4.0392 4.0392 9.9365 9.9367 11.1209 11.1271 11.2050 11.2120 11.3525 11.3531 11.4508 11.4533 k = 0.1190 0.2062 0.5725 ( 4018 PWs) bands (ev): -33.9564 -33.9564 -23.5872 -23.5872 -17.7774 -17.7773 -17.5992 -17.5981 -15.2517 -15.1894 -15.0033 -14.9274 -14.2927 -14.2859 -14.2052 -14.1969 -14.1257 -14.1123 -7.3541 -7.3496 -7.1104 -7.1072 -7.0842 -7.0761 -3.0187 -3.0184 -1.4875 -1.4869 -1.4513 -1.4478 -1.2713 -1.2678 0.3731 0.3732 1.1837 1.2089 1.2345 1.2600 2.3881 2.3917 2.6601 2.6635 2.7678 2.7686 2.9037 2.9044 4.0702 4.0702 9.9127 9.9128 11.0995 11.1047 11.1873 11.1934 11.3097 11.3105 11.4342 11.4365 k = 0.1111 0.1925 0.5725 ( 4018 PWs) bands (ev): -33.9564 -33.9564 -23.5873 -23.5873 -17.7771 -17.7770 -17.5969 -17.5959 -15.2429 -15.1907 -14.9944 -14.9305 -14.2920 -14.2853 -14.2060 -14.1975 -14.1346 -14.1237 -7.3554 -7.3517 -7.1131 -7.1104 -7.0831 -7.0764 -3.0360 -3.0358 -1.4904 -1.4900 -1.4392 -1.4360 -1.2808 -1.2775 0.3742 0.3742 1.1861 1.2088 1.2325 1.2554 2.4267 2.4300 2.6696 2.6728 2.7808 2.7815 2.9033 2.9039 4.1005 4.1005 9.8893 9.8894 11.0770 11.0811 11.1706 11.1758 11.2712 11.2721 11.4192 11.4214 k = 0.1032 0.1787 0.5725 ( 4014 PWs) bands (ev): -33.9564 -33.9564 -23.5874 -23.5874 -17.7768 -17.7767 -17.5945 -17.5938 -15.2349 -15.1918 -14.9857 -14.9329 -14.2911 -14.2847 -14.2068 -14.1984 -14.1434 -14.1348 -7.3567 -7.3538 -7.1157 -7.1135 -7.0820 -7.0765 -3.0525 -3.0523 -1.4932 -1.4928 -1.4276 -1.4247 -1.2897 -1.2868 0.3752 0.3752 1.1879 1.2076 1.2311 1.2510 2.4641 2.4671 2.6786 2.6815 2.7939 2.7945 2.9029 2.9035 4.1300 4.1300 9.8665 9.8666 11.0533 11.0564 11.1552 11.1594 11.2370 11.2380 11.4060 11.4081 k = 0.0952 0.1650 0.5725 ( 4014 PWs) bands (ev): -33.9565 -33.9565 -23.5875 -23.5875 -17.7765 -17.7765 -17.5923 -17.5917 -15.2275 -15.1927 -14.9773 -14.9347 -14.2902 -14.2841 -14.2078 -14.1993 -14.1519 -14.1456 -7.3581 -7.3559 -7.1182 -7.1163 -7.0810 -7.0767 -3.0680 -3.0679 -1.4957 -1.4954 -1.4167 -1.4139 -1.2981 -1.2954 0.3760 0.3760 1.1892 1.2058 1.2302 1.2469 2.5001 2.5028 2.6871 2.6897 2.8068 2.8074 2.9025 2.9030 4.1585 4.1585 9.8446 9.8446 11.0288 11.0310 11.1410 11.1442 11.2071 11.2081 11.3944 11.3964 k = 0.0873 0.1512 0.5725 ( 4002 PWs) bands (ev): -33.9565 -33.9565 -23.5876 -23.5876 -17.7763 -17.7762 -17.5902 -17.5897 -15.2208 -15.1934 -14.9694 -14.9357 -14.2892 -14.2835 -14.2088 -14.2003 -14.1600 -14.1559 -7.3596 -7.3578 -7.1205 -7.1190 -7.0802 -7.0767 -3.0825 -3.0824 -1.4979 -1.4977 -1.4063 -1.4039 -1.3058 -1.3034 0.3768 0.3768 1.1902 1.2035 1.2294 1.2429 2.5343 2.5367 2.6950 2.6974 2.8195 2.8200 2.9020 2.9025 4.1857 4.1857 9.8236 9.8237 11.0039 11.0054 11.1279 11.1303 11.1811 11.1820 11.3846 11.3864 k = 0.0794 0.1375 0.5725 ( 4010 PWs) bands (ev): -33.9565 -33.9565 -23.5877 -23.5877 -17.7760 -17.7760 -17.5882 -17.5879 -15.2149 -15.1939 -14.9622 -14.9362 -14.2881 -14.2831 -14.2098 -14.2015 -14.1678 -14.1657 -7.3610 -7.3597 -7.1227 -7.1216 -7.0794 -7.0768 -3.0960 -3.0959 -1.5000 -1.4998 -1.3967 -1.3945 -1.3130 -1.3108 0.3775 0.3775 1.1907 1.2011 1.2288 1.2393 2.5665 2.5686 2.7024 2.7045 2.8317 2.8321 2.9016 2.9020 4.2114 4.2114 9.8038 9.8038 10.9793 10.9802 11.1160 11.1177 11.1586 11.1593 11.3762 11.3780 k = 0.0714 0.1237 0.5725 ( 4010 PWs) bands (ev): -33.9566 -33.9566 -23.5878 -23.5878 -17.7758 -17.7758 -17.5864 -17.5861 -15.2097 -15.1942 -14.9555 -14.9362 -14.2870 -14.2826 -14.2109 -14.2027 -14.1751 -14.1749 -7.3624 -7.3615 -7.1247 -7.1238 -7.0787 -7.0768 -3.1084 -3.1083 -1.5019 -1.5017 -1.3878 -1.3858 -1.3194 -1.3174 0.3780 0.3780 1.1909 1.1987 1.2281 1.2360 2.5963 2.5982 2.7092 2.7110 2.8432 2.8436 2.9012 2.9015 4.2354 4.2354 9.7853 9.7853 10.9555 10.9561 11.1051 11.1063 11.1393 11.1398 11.3695 11.3711 k = 0.0635 0.1100 0.5725 ( 4018 PWs) bands (ev): -33.9566 -33.9566 -23.5879 -23.5879 -17.7756 -17.7756 -17.5847 -17.5845 -15.2053 -15.1942 -14.9495 -14.9357 -14.2858 -14.2822 -14.2119 -14.2040 -14.1832 -14.1819 -7.3638 -7.3631 -7.1265 -7.1259 -7.0781 -7.0768 -3.1196 -3.1195 -1.5035 -1.5034 -1.3797 -1.3780 -1.3252 -1.3235 0.3785 0.3785 1.1908 1.1964 1.2274 1.2331 2.6236 2.6252 2.7155 2.7171 2.8540 2.8543 2.9008 2.9011 4.2576 4.2576 9.7682 9.7683 10.9332 10.9336 11.0953 11.0961 11.1226 11.1230 11.3642 11.3656 k = 0.0556 0.0962 0.5725 ( 4018 PWs) bands (ev): -33.9566 -33.9566 -23.5879 -23.5879 -17.7754 -17.7754 -17.5832 -17.5830 -15.2016 -15.1941 -14.9443 -14.9349 -14.2847 -14.2819 -14.2128 -14.2054 -14.1906 -14.1881 -7.3651 -7.3646 -7.1282 -7.1277 -7.0776 -7.0767 -3.1296 -3.1295 -1.5049 -1.5049 -1.3725 -1.3710 -1.3303 -1.3288 0.3789 0.3789 1.1905 1.1943 1.2267 1.2305 2.6480 2.6493 2.7213 2.7226 2.8639 2.8642 2.9004 2.9006 4.2776 4.2776 9.7528 9.7528 10.9128 10.9130 11.0866 11.0870 11.1085 11.1087 11.3601 11.3614 k = 0.0476 0.0825 0.5725 ( 4020 PWs) bands (ev): -33.9567 -33.9567 -23.5880 -23.5880 -17.7752 -17.7752 -17.5818 -17.5818 -15.1986 -15.1939 -14.9398 -14.9338 -14.2836 -14.2815 -14.2136 -14.2069 -14.1970 -14.1937 -7.3662 -7.3660 -7.1296 -7.1293 -7.0772 -7.0766 -3.1383 -3.1383 -1.5062 -1.5061 -1.3662 -1.3649 -1.3346 -1.3334 0.3793 0.3793 1.1900 1.1925 1.2259 1.2284 2.6692 2.6703 2.7267 2.7278 2.8728 2.8730 2.9001 2.9003 4.2954 4.2954 9.7391 9.7391 10.8946 10.8947 11.0788 11.0790 11.0967 11.0967 11.3571 11.3582 k = 0.0397 0.0687 0.5725 ( 4026 PWs) bands (ev): -33.9567 -33.9567 -23.5881 -23.5881 -17.7751 -17.7751 -17.5807 -17.5806 -15.1963 -15.1935 -14.9361 -14.9326 -14.2826 -14.2812 -14.2143 -14.2088 -14.2019 -14.1985 -7.3673 -7.3671 -7.1309 -7.1307 -7.0769 -7.0766 -3.1457 -3.1457 -1.5072 -1.5072 -1.3609 -1.3598 -1.3382 -1.3372 0.3796 0.3796 1.1894 1.1909 1.2251 1.2266 2.6870 2.6878 2.7319 2.7327 2.8804 2.8806 2.8998 2.9000 4.3107 4.3107 9.7273 9.7273 10.8789 10.8790 11.0720 11.0721 11.0870 11.0870 11.3550 11.3559 k = 0.0317 0.0550 0.5725 ( 4026 PWs) bands (ev): -33.9567 -33.9567 -23.5881 -23.5881 -17.7750 -17.7750 -17.5797 -17.5797 -15.1945 -15.1930 -14.9331 -14.9313 -14.2817 -14.2809 -14.2150 -14.2113 -14.2052 -14.2026 -7.3682 -7.3681 -7.1319 -7.1318 -7.0766 -7.0765 -3.1519 -3.1519 -1.5081 -1.5080 -1.3566 -1.3558 -1.3410 -1.3402 0.3798 0.3798 1.1888 1.1896 1.2244 1.2252 2.7010 2.7015 2.7369 2.7375 2.8868 2.8869 2.8997 2.8998 4.3235 4.3235 9.7174 9.7174 10.8659 10.8659 11.0662 11.0662 11.0794 11.0794 11.3534 11.3541 k = 0.0238 0.0412 0.5725 ( 4026 PWs) bands (ev): -33.9567 -33.9567 -23.5881 -23.5881 -17.7749 -17.7749 -17.5790 -17.5790 -15.1932 -15.1926 -14.9309 -14.9302 -14.2810 -14.2807 -14.2157 -14.2138 -14.2071 -14.2057 -7.3689 -7.3689 -7.1327 -7.1326 -7.0765 -7.0764 -3.1567 -3.1567 -1.5087 -1.5087 -1.3535 -1.3530 -1.3428 -1.3423 0.3799 0.3799 1.1882 1.1886 1.2238 1.2242 2.7111 2.7113 2.7418 2.7421 2.8916 2.8917 2.8997 2.8998 4.3336 4.3336 9.7097 9.7097 10.8557 10.8557 11.0614 11.0614 11.0738 11.0738 11.3520 11.3525 k = 0.0159 0.0275 0.5725 ( 4030 PWs) bands (ev): -33.9567 -33.9567 -23.5882 -23.5882 -17.7748 -17.7748 -17.5785 -17.5785 -15.1924 -15.1922 -14.9294 -14.9292 -14.2806 -14.2805 -14.2164 -14.2158 -14.2083 -14.2079 -7.3694 -7.3694 -7.1333 -7.1332 -7.0763 -7.0763 -3.1601 -3.1601 -1.5092 -1.5092 -1.3517 -1.3515 -1.3435 -1.3434 0.3801 0.3801 1.1878 1.1879 1.2234 1.2235 2.7176 2.7176 2.7461 2.7462 2.8949 2.8949 2.9001 2.9001 4.3408 4.3408 9.7041 9.7041 10.8483 10.8483 11.0578 11.0578 11.0699 11.0699 11.3502 11.3504 k = 0.0079 0.0137 0.5725 ( 4034 PWs) bands (ev): -33.9567 -33.9567 -23.5882 -23.5882 -17.7748 -17.7748 -17.5781 -17.5781 -15.1920 -15.1919 -14.9286 -14.9286 -14.2803 -14.2803 -14.2171 -14.2170 -14.2090 -14.2090 -7.3698 -7.3698 -7.1336 -7.1336 -7.0763 -7.0763 -3.1622 -3.1622 -1.5094 -1.5094 -1.3510 -1.3510 -1.3436 -1.3436 0.3801 0.3801 1.1874 1.1875 1.2230 1.2231 2.7210 2.7210 2.7491 2.7491 2.8964 2.8964 2.9007 2.9007 4.3452 4.3452 9.7007 9.7007 10.8439 10.8439 11.0556 11.0556 11.0676 11.0676 11.3482 11.3482 k = 0.0000 0.0000 0.5725 ( 4038 PWs) bands (ev): -33.9567 -33.9567 -23.5882 -23.5882 -17.7748 -17.7748 -17.5780 -17.5780 -15.1918 -15.1918 -14.9283 -14.9283 -14.2802 -14.2802 -14.2174 -14.2174 -14.2093 -14.2093 -7.3699 -7.3699 -7.1337 -7.1337 -7.0763 -7.0763 -3.1629 -3.1629 -1.5095 -1.5095 -1.3509 -1.3509 -1.3435 -1.3435 0.3802 0.3802 1.1873 1.1873 1.2229 1.2229 2.7221 2.7221 2.7502 2.7502 2.8968 2.8968 2.9010 2.9010 4.3467 4.3467 9.6996 9.6996 10.8424 10.8424 11.0549 11.0549 11.0669 11.0669 11.3472 11.3472 k = 0.5000 0.2887 0.5725 ( 4052 PWs) bands (ev): -33.9558 -33.9558 -23.5855 -23.5855 -17.7820 -17.7820 -17.6332 -17.6332 -15.2840 -15.2840 -15.0067 -15.0067 -14.2999 -14.2999 -14.1537 -14.1537 -13.9950 -13.9950 -7.3336 -7.3336 -7.0875 -7.0875 -7.0604 -7.0604 -2.7187 -2.7187 -1.5934 -1.5934 -1.4283 -1.4283 -1.1372 -1.1372 0.3407 0.3407 1.1940 1.1940 1.2336 1.2336 1.7634 1.7634 2.5273 2.5273 2.6109 2.6109 2.9170 2.9170 3.6409 3.6409 10.2667 10.2667 11.3980 11.3980 11.4584 11.4584 11.6638 11.6638 12.3728 12.3728 k = 0.5000 0.2887 0.5566 ( 4044 PWs) bands (ev): -33.9558 -33.9558 -23.5855 -23.5855 -17.7813 -17.7812 -17.6333 -17.6331 -15.2841 -15.2840 -15.0067 -15.0066 -14.3015 -14.3003 -14.1545 -14.1534 -13.9950 -13.9950 -7.3339 -7.3331 -7.0875 -7.0875 -7.0607 -7.0598 -2.7188 -2.7186 -1.5939 -1.5938 -1.4281 -1.4278 -1.1371 -1.1371 0.3424 0.3425 1.1942 1.1943 1.2338 1.2338 1.7633 1.7633 2.5273 2.5274 2.6113 2.6114 2.9167 2.9169 3.6408 3.6410 10.2661 10.2662 11.3969 11.3969 11.4567 11.4571 11.6629 11.6635 12.3720 12.3721 k = 0.5000 0.2887 0.5407 ( 4052 PWs) bands (ev): -33.9558 -33.9558 -23.5855 -23.5855 -17.7790 -17.7787 -17.6334 -17.6330 -15.2842 -15.2840 -15.0068 -15.0065 -14.3052 -14.3027 -14.1557 -14.1535 -13.9952 -13.9951 -7.3342 -7.3326 -7.0875 -7.0874 -7.0609 -7.0590 -2.7191 -2.7186 -1.5952 -1.5950 -1.4272 -1.4266 -1.1368 -1.1368 0.3477 0.3479 1.1948 1.1949 1.2345 1.2345 1.7629 1.7629 2.5276 2.5276 2.6125 2.6127 2.9161 2.9164 3.6408 3.6411 10.2644 10.2645 11.3933 11.3934 11.4520 11.4527 11.6609 11.6619 12.3698 12.3700 k = 0.5000 0.2887 0.5248 ( 4054 PWs) bands (ev): -33.9558 -33.9558 -23.5856 -23.5856 -17.7752 -17.7747 -17.6335 -17.6330 -15.2845 -15.2842 -15.0069 -15.0065 -14.3109 -14.3073 -14.1572 -14.1541 -13.9954 -13.9953 -7.3343 -7.3319 -7.0874 -7.0872 -7.0608 -7.0580 -2.7195 -2.7187 -1.5973 -1.5971 -1.4257 -1.4249 -1.1364 -1.1364 0.3565 0.3568 1.1958 1.1959 1.2356 1.2356 1.7623 1.7623 2.5279 2.5280 2.6146 2.6149 2.9150 2.9155 3.6408 3.6413 10.2616 10.2617 11.3874 11.3875 11.4443 11.4453 11.6577 11.6593 12.3660 12.3664 k = 0.5000 0.2887 0.5089 ( 4050 PWs) bands (ev): -33.9559 -33.9559 -23.5857 -23.5857 -17.7698 -17.7692 -17.6337 -17.6329 -15.2848 -15.2844 -15.0069 -15.0064 -14.3187 -14.3141 -14.1589 -14.1549 -13.9957 -13.9956 -7.3343 -7.3312 -7.0872 -7.0870 -7.0605 -7.0568 -2.7200 -2.7189 -1.6002 -1.5999 -1.4236 -1.4225 -1.1359 -1.1358 0.3688 0.3692 1.1973 1.1974 1.2372 1.2372 1.7614 1.7615 2.5285 2.5286 2.6175 2.6179 2.9136 2.9142 3.6409 3.6415 10.2577 10.2579 11.3793 11.3795 11.4334 11.4347 11.6534 11.6555 12.3607 12.3612 k = 0.5000 0.2887 0.4930 ( 4056 PWs) bands (ev): -33.9560 -33.9560 -23.5858 -23.5858 -17.7630 -17.7621 -17.6338 -17.6328 -15.2852 -15.2847 -15.0070 -15.0063 -14.3287 -14.3231 -14.1607 -14.1560 -13.9961 -13.9959 -7.3342 -7.3304 -7.0870 -7.0867 -7.0600 -7.0555 -2.7205 -2.7192 -1.6038 -1.6035 -1.4210 -1.4196 -1.1351 -1.1350 0.3844 0.3849 1.1991 1.1992 1.2391 1.2392 1.7604 1.7604 2.5292 2.5294 2.6212 2.6218 2.9118 2.9125 3.6411 3.6418 10.2527 10.2529 11.3690 11.3693 11.4193 11.4209 11.6480 11.6506 12.3538 12.3545 k = 0.5000 0.2887 0.4771 ( 4048 PWs) bands (ev): -33.9561 -33.9561 -23.5859 -23.5859 -17.7546 -17.7534 -17.6340 -17.6327 -15.2857 -15.2850 -15.0071 -15.0063 -14.3408 -14.3345 -14.1625 -14.1573 -13.9965 -13.9963 -7.3340 -7.3294 -7.0866 -7.0864 -7.0592 -7.0539 -2.7212 -2.7196 -1.6081 -1.6077 -1.4177 -1.4162 -1.1342 -1.1341 0.4033 0.4039 1.2012 1.2014 1.2415 1.2416 1.7591 1.7591 2.5301 2.5303 2.6257 2.6263 2.9096 2.9105 3.6412 3.6421 10.2467 10.2470 11.3567 11.3570 11.4019 11.4037 11.6416 11.6447 12.3452 12.3462 k = 0.5000 0.2887 0.4612 ( 4046 PWs) bands (ev): -33.9562 -33.9562 -23.5861 -23.5861 -17.7448 -17.7434 -17.6341 -17.6325 -15.2863 -15.2855 -15.0072 -15.0062 -14.3552 -14.3482 -14.1642 -14.1585 -13.9969 -13.9967 -7.3337 -7.3285 -7.0863 -7.0860 -7.0582 -7.0522 -2.7220 -2.7202 -1.6129 -1.6126 -1.4141 -1.4124 -1.1332 -1.1330 0.4254 0.4261 1.2037 1.2039 1.2443 1.2444 1.7576 1.7577 2.5312 2.5314 2.6309 2.6317 2.9071 2.9081 3.6414 3.6424 10.2398 10.2402 11.3424 11.3428 11.3810 11.3831 11.6342 11.6377 12.3345 12.3360 k = 0.5000 0.2887 0.4453 ( 4042 PWs) bands (ev): -33.9563 -33.9563 -23.5862 -23.5862 -17.7337 -17.7318 -17.6343 -17.6323 -15.2869 -15.2860 -15.0073 -15.0061 -14.3717 -14.3643 -14.1657 -14.1598 -13.9974 -13.9971 -7.3333 -7.3274 -7.0858 -7.0856 -7.0570 -7.0504 -2.7228 -2.7208 -1.6182 -1.6179 -1.4099 -1.4081 -1.1320 -1.1318 0.4505 0.4513 1.2066 1.2068 1.2475 1.2475 1.7559 1.7560 2.5324 2.5327 2.6368 2.6377 2.9042 2.9053 3.6416 3.6428 10.2320 10.2324 11.3263 11.3268 11.3566 11.3589 11.6260 11.6299 12.3205 12.3230 k = 0.5000 0.2887 0.4294 ( 4042 PWs) bands (ev): -33.9565 -33.9565 -23.5864 -23.5864 -17.7212 -17.7189 -17.6345 -17.6319 -15.2877 -15.2867 -15.0074 -15.0061 -14.3904 -14.3827 -14.1670 -14.1609 -13.9979 -13.9976 -7.3328 -7.3263 -7.0853 -7.0851 -7.0557 -7.0484 -2.7238 -2.7216 -1.6239 -1.6237 -1.4055 -1.4035 -1.1306 -1.1305 0.4784 0.4793 1.2097 1.2100 1.2509 1.2510 1.7540 1.7542 2.5338 2.5341 2.6434 2.6443 2.9010 2.9022 3.6419 3.6431 10.2235 10.2239 11.3083 11.3091 11.3286 11.3313 11.6170 11.6213 12.2979 12.3029 k = 0.5000 0.2887 0.4135 ( 4038 PWs) bands (ev): -33.9566 -33.9566 -23.5866 -23.5866 -17.7077 -17.7046 -17.6347 -17.6314 -15.2885 -15.2874 -15.0075 -15.0061 -14.4112 -14.4032 -14.1680 -14.1620 -13.9983 -13.9980 -7.3321 -7.3251 -7.0848 -7.0846 -7.0541 -7.0463 -2.7249 -2.7225 -1.6300 -1.6299 -1.4007 -1.3987 -1.1292 -1.1290 0.5090 0.5100 1.2131 1.2134 1.2548 1.2549 1.7520 1.7522 2.5354 2.5357 2.6505 2.6515 2.8974 2.8987 3.6422 3.6435 10.2142 10.2146 11.2880 11.2899 11.2971 11.3008 11.6073 11.6120 12.2555 12.2620 k = 0.5000 0.2887 0.3976 ( 4044 PWs) bands (ev): -33.9568 -33.9568 -23.5869 -23.5869 -17.6933 -17.6891 -17.6349 -17.6304 -15.2895 -15.2882 -15.0077 -15.0061 -14.4339 -14.4258 -14.1688 -14.1629 -13.9988 -13.9985 -7.3314 -7.3240 -7.0842 -7.0841 -7.0524 -7.0442 -2.7261 -2.7235 -1.6364 -1.6364 -1.3956 -1.3935 -1.1276 -1.1275 0.5420 0.5431 1.2168 1.2170 1.2589 1.2590 1.7498 1.7501 2.5372 2.5376 2.6582 2.6593 2.8935 2.8949 3.6424 3.6439 10.2043 10.2048 11.2605 11.2613 11.2701 11.2725 11.5970 11.6020 12.2026 12.2089 k = 0.5000 0.2887 0.3817 ( 4056 PWs) bands (ev): -33.9570 -33.9570 -23.5871 -23.5871 -17.6785 -17.6724 -17.6351 -17.6287 -15.2906 -15.2892 -15.0079 -15.0061 -14.4584 -14.4502 -14.1694 -14.1636 -13.9993 -13.9990 -7.3307 -7.3228 -7.0835 -7.0835 -7.0505 -7.0419 -2.7274 -2.7246 -1.6431 -1.6430 -1.3903 -1.3882 -1.1260 -1.1258 0.5773 0.5785 1.2207 1.2209 1.2632 1.2633 1.7475 1.7478 2.5392 2.5396 2.6664 2.6675 2.8893 2.8908 3.6427 3.6442 10.1938 10.1943 11.2228 11.2234 11.2484 11.2493 11.5862 11.5914 12.1494 12.1556 k = 0.5000 0.2887 0.3658 ( 4048 PWs) bands (ev): -33.9572 -33.9572 -23.5874 -23.5874 -17.6643 -17.6546 -17.6353 -17.6252 -15.2918 -15.2903 -15.0081 -15.0062 -14.4846 -14.4762 -14.1698 -14.1642 -13.9998 -13.9995 -7.3298 -7.3215 -7.0829 -7.0828 -7.0485 -7.0395 -2.7288 -2.7259 -1.6500 -1.6498 -1.3848 -1.3826 -1.1242 -1.1240 0.6146 0.6159 1.2247 1.2250 1.2678 1.2680 1.7450 1.7454 2.5414 2.5418 2.6750 2.6761 2.8849 2.8864 3.6430 3.6446 10.1830 10.1835 11.1810 11.1818 11.2260 11.2265 11.5750 11.5804 12.0983 12.1046 k = 0.5000 0.2887 0.3499 ( 4048 PWs) bands (ev): -33.9574 -33.9574 -23.5876 -23.5876 -17.6530 -17.6374 -17.6337 -17.6178 -15.2931 -15.2915 -15.0084 -15.0062 -14.5121 -14.5037 -14.1701 -14.1647 -14.0002 -13.9999 -7.3288 -7.3203 -7.0822 -7.0821 -7.0464 -7.0371 -2.7304 -2.7273 -1.6569 -1.6566 -1.3791 -1.3770 -1.1223 -1.1222 0.6537 0.6550 1.2289 1.2292 1.2726 1.2728 1.7425 1.7430 2.5438 2.5442 2.6839 2.6851 2.8801 2.8817 3.6433 3.6449 10.1718 10.1724 11.1364 11.1372 11.2028 11.2032 11.5635 11.5691 12.0499 12.0562 k = 0.5000 0.2887 0.3339 ( 4050 PWs) bands (ev): -33.9576 -33.9576 -23.5879 -23.5879 -17.6463 -17.6361 -17.6153 -17.6048 -15.2945 -15.2928 -15.0087 -15.0064 -14.5409 -14.5325 -14.1701 -14.1650 -14.0007 -14.0004 -7.3278 -7.3190 -7.0815 -7.0813 -7.0441 -7.0347 -2.7320 -2.7288 -1.6640 -1.6635 -1.3733 -1.3712 -1.1204 -1.1202 0.6942 0.6956 1.2332 1.2335 1.2775 1.2777 1.7398 1.7404 2.5464 2.5468 2.6932 2.6943 2.8751 2.8768 3.6436 3.6453 10.1604 10.1611 11.0893 11.0901 11.1791 11.1794 11.5518 11.5576 12.0042 12.0107 k = 0.5000 0.2887 0.3180 ( 4048 PWs) bands (ev): -33.9578 -33.9578 -23.5882 -23.5882 -17.6430 -17.6363 -17.5946 -17.5876 -15.2961 -15.2943 -15.0091 -15.0065 -14.5707 -14.5622 -14.1701 -14.1652 -14.0011 -14.0008 -7.3267 -7.3178 -7.0808 -7.0805 -7.0418 -7.0322 -2.7337 -2.7305 -1.6709 -1.6704 -1.3675 -1.3654 -1.1185 -1.1183 0.7359 0.7374 1.2376 1.2379 1.2826 1.2828 1.7370 1.7378 2.5491 2.5496 2.7026 2.7038 2.8699 2.8716 3.6439 3.6455 10.1490 10.1497 11.0404 11.0410 11.1551 11.1552 11.5400 11.5459 11.9611 11.9678 k = 0.5000 0.2887 0.3021 ( 4044 PWs) bands (ev): -33.9580 -33.9580 -23.5885 -23.5885 -17.6414 -17.6365 -17.5731 -17.5679 -15.2979 -15.2960 -15.0096 -15.0068 -14.6013 -14.5927 -14.1699 -14.1653 -14.0015 -14.0012 -7.3256 -7.3165 -7.0801 -7.0797 -7.0393 -7.0297 -2.7356 -2.7322 -1.6778 -1.6772 -1.3616 -1.3596 -1.1165 -1.1163 0.7786 0.7802 1.2421 1.2423 1.2878 1.2880 1.7342 1.7350 2.5521 2.5526 2.7122 2.7133 2.8644 2.8662 3.6441 3.6458 10.1376 10.1383 10.9901 10.9906 11.1309 11.1310 11.5282 11.5342 11.9206 11.9273 k = 0.5000 0.2887 0.2862 ( 4048 PWs) bands (ev): -33.9582 -33.9582 -23.5888 -23.5888 -17.6405 -17.6368 -17.5510 -17.5469 -15.2999 -15.2978 -15.0101 -15.0071 -14.6323 -14.6237 -14.1697 -14.1653 -14.0019 -14.0016 -7.3245 -7.3154 -7.0793 -7.0789 -7.0368 -7.0272 -2.7375 -2.7341 -1.6846 -1.6839 -1.3558 -1.3538 -1.1145 -1.1143 0.8218 0.8235 1.2465 1.2467 1.2929 1.2932 1.7313 1.7322 2.5553 2.5558 2.7218 2.7230 2.8588 2.8606 3.6444 3.6461 10.1263 10.1271 10.9389 10.9393 11.1067 11.1068 11.5164 11.5225 11.8822 11.8891 k = 0.5000 0.2887 0.2703 ( 4050 PWs) bands (ev): -33.9584 -33.9584 -23.5891 -23.5891 -17.6401 -17.6370 -17.5284 -17.5250 -15.3020 -15.2999 -15.0108 -15.0075 -14.6636 -14.6549 -14.1694 -14.1653 -14.0023 -14.0020 -7.3233 -7.3142 -7.0786 -7.0781 -7.0343 -7.0248 -2.7395 -2.7361 -1.6912 -1.6904 -1.3499 -1.3480 -1.1124 -1.1122 0.8654 0.8671 1.2510 1.2511 1.2981 1.2984 1.7283 1.7294 2.5586 2.5592 2.7315 2.7326 2.8530 2.8548 3.6446 3.6463 10.1154 10.1162 10.8875 10.8877 11.0827 11.0828 11.5049 11.5111 11.8459 11.8530 k = 0.5000 0.2887 0.2544 ( 4050 PWs) bands (ev): -33.9587 -33.9587 -23.5893 -23.5893 -17.6398 -17.6373 -17.5055 -17.5025 -15.3044 -15.3022 -15.0117 -15.0081 -14.6948 -14.6859 -14.1690 -14.1652 -14.0027 -14.0024 -7.3220 -7.3131 -7.0778 -7.0773 -7.0318 -7.0224 -2.7415 -2.7381 -1.6976 -1.6967 -1.3442 -1.3424 -1.1104 -1.1102 0.9089 0.9107 1.2554 1.2554 1.3033 1.3036 1.7253 1.7265 2.5622 2.5628 2.7411 2.7422 2.8470 2.8488 3.6448 3.6464 10.1048 10.1056 10.8363 10.8363 11.0591 11.0591 11.4937 11.5000 11.8114 11.8186 k = 0.5000 0.2887 0.2385 ( 4062 PWs) bands (ev): -33.9589 -33.9589 -23.5896 -23.5896 -17.6397 -17.6375 -17.4823 -17.4798 -15.3071 -15.3047 -15.0127 -15.0088 -14.7257 -14.7167 -14.1686 -14.1651 -14.0030 -14.0028 -7.3208 -7.3121 -7.0771 -7.0765 -7.0292 -7.0201 -2.7436 -2.7403 -1.7037 -1.7028 -1.3386 -1.3368 -1.1084 -1.1082 0.9521 0.9539 1.2597 1.2597 1.3084 1.3087 1.7221 1.7235 2.5659 2.5665 2.7506 2.7516 2.8410 2.8428 3.6449 3.6466 10.0947 10.0956 10.7856 10.7857 11.0359 11.0359 11.4828 11.4892 11.7785 11.7858 k = 0.5000 0.2887 0.2226 ( 4052 PWs) bands (ev): -33.9591 -33.9591 -23.5899 -23.5899 -17.6396 -17.6378 -17.4592 -17.4569 -15.3099 -15.3075 -15.0139 -15.0097 -14.7557 -14.7466 -14.1682 -14.1649 -14.0034 -14.0031 -7.3196 -7.3111 -7.0763 -7.0757 -7.0267 -7.0178 -2.7457 -2.7424 -1.7095 -1.7086 -1.3331 -1.3314 -1.1065 -1.1063 0.9946 0.9965 1.2638 1.2640 1.3134 1.3137 1.7189 1.7204 2.5697 2.5703 2.7598 2.7608 2.8348 2.8366 3.6451 3.6467 10.0853 10.0862 10.7360 10.7362 11.0135 11.0135 11.4725 11.4789 11.7471 11.7545 k = 0.5000 0.2887 0.2067 ( 4068 PWs) bands (ev): -33.9593 -33.9593 -23.5902 -23.5902 -17.6396 -17.6380 -17.4362 -17.4342 -15.3131 -15.3106 -15.0154 -15.0110 -14.7848 -14.7755 -14.1677 -14.1647 -14.0037 -14.0035 -7.3184 -7.3102 -7.0756 -7.0750 -7.0242 -7.0157 -2.7478 -2.7446 -1.7151 -1.7141 -1.3278 -1.3263 -1.1046 -1.1044 1.0362 1.0381 1.2679 1.2681 1.3182 1.3186 1.7157 1.7173 2.5737 2.5743 2.7688 2.7698 2.8287 2.8304 3.6452 3.6467 10.0765 10.0774 10.6878 10.6881 10.9919 10.9919 11.4628 11.4693 11.7170 11.7245 k = 0.5000 0.2887 0.1908 ( 4072 PWs) bands (ev): -33.9595 -33.9595 -23.5904 -23.5904 -17.6396 -17.6383 -17.4137 -17.4119 -15.3165 -15.3139 -15.0172 -15.0125 -14.8124 -14.8031 -14.1673 -14.1645 -14.0040 -14.0038 -7.3172 -7.3093 -7.0748 -7.0743 -7.0218 -7.0137 -2.7498 -2.7468 -1.7202 -1.7192 -1.3228 -1.3213 -1.1028 -1.1026 1.0764 1.0782 1.2718 1.2722 1.3229 1.3233 1.7124 1.7141 2.5777 2.5784 2.7775 2.7784 2.8225 2.8242 3.6453 3.6468 10.0686 10.0695 10.6415 10.6419 10.9713 10.9713 11.4538 11.4604 11.6882 11.6957 k = 0.5000 0.2887 0.1749 ( 4066 PWs) bands (ev): -33.9596 -33.9596 -23.5907 -23.5907 -17.6397 -17.6385 -17.3917 -17.3901 -15.3201 -15.3175 -15.0194 -15.0145 -14.8382 -14.8288 -14.1668 -14.1643 -14.0043 -14.0041 -7.3160 -7.3086 -7.0741 -7.0736 -7.0194 -7.0118 -2.7518 -2.7489 -1.7250 -1.7240 -1.3180 -1.3166 -1.1010 -1.1009 1.1149 1.1167 1.2756 1.2762 1.3274 1.3278 1.7090 1.7109 2.5819 2.5825 2.7858 2.7866 2.8164 2.8181 3.6454 3.6468 10.0616 10.0625 10.5973 10.5978 10.9518 10.9519 11.4457 11.4523 11.6606 11.6682 k = 0.5000 0.2887 0.1590 ( 4066 PWs) bands (ev): -33.9598 -33.9598 -23.5909 -23.5909 -17.6397 -17.6387 -17.3705 -17.3691 -15.3240 -15.3214 -15.0221 -15.0170 -14.8618 -14.8524 -14.1663 -14.1640 -14.0045 -14.0044 -7.3148 -7.3079 -7.0735 -7.0730 -7.0171 -7.0100 -2.7538 -2.7510 -1.7294 -1.7284 -1.3135 -1.3122 -1.0994 -1.0992 1.1514 1.1530 1.2794 1.2802 1.3316 1.3320 1.7056 1.7076 2.5860 2.5867 2.7935 2.7943 2.8105 2.8121 3.6455 3.6468 10.0555 10.0564 10.5556 10.5561 10.9337 10.9337 11.4385 11.4452 11.6343 11.6420 k = 0.5000 0.2887 0.1431 ( 4072 PWs) bands (ev): -33.9600 -33.9600 -23.5911 -23.5911 -17.6398 -17.6389 -17.3504 -17.3492 -15.3281 -15.3255 -15.0254 -15.0202 -14.8828 -14.8736 -14.1659 -14.1638 -14.0048 -14.0046 -7.3137 -7.3073 -7.0729 -7.0724 -7.0150 -7.0084 -2.7556 -2.7531 -1.7334 -1.7325 -1.3093 -1.3082 -1.0979 -1.0977 1.1853 1.1867 1.2832 1.2843 1.3355 1.3360 1.7022 1.7042 2.5902 2.5908 2.8008 2.8015 2.8047 2.8062 3.6456 3.6468 10.0504 10.0512 10.5165 10.5171 10.9168 10.9169 11.4323 11.4390 11.6093 11.6170 k = 0.5000 0.2887 0.1272 ( 4056 PWs) bands (ev): -33.9601 -33.9601 -23.5913 -23.5913 -17.6399 -17.6391 -17.3316 -17.3304 -15.3323 -15.3298 -15.0292 -15.0240 -14.9009 -14.8921 -14.1654 -14.1636 -14.0050 -14.0048 -7.3126 -7.3068 -7.0723 -7.0718 -7.0129 -7.0070 -2.7573 -2.7550 -1.7369 -1.7361 -1.3055 -1.3044 -1.0964 -1.0963 1.2162 1.2170 1.2873 1.2890 1.3392 1.3397 1.6988 1.7008 2.5942 2.5948 2.7991 2.8005 2.8076 2.8081 3.6456 3.6467 10.0462 10.0471 10.4805 10.4811 10.9016 10.9016 11.4273 11.4340 11.5858 11.5935 k = 0.5000 0.2887 0.1113 ( 4050 PWs) bands (ev): -33.9603 -33.9603 -23.5915 -23.5915 -17.6399 -17.6393 -17.3142 -17.3133 -15.3365 -15.3342 -15.0335 -15.0287 -14.9160 -14.9078 -14.1650 -14.1635 -14.0051 -14.0050 -7.3116 -7.3064 -7.0718 -7.0713 -7.0110 -7.0057 -2.7588 -2.7568 -1.7401 -1.7393 -1.3020 -1.3011 -1.0952 -1.0951 1.2428 1.2428 1.2925 1.2950 1.3426 1.3432 1.6954 1.6974 2.5981 2.5987 2.7939 2.7952 2.8136 2.8141 3.6457 3.6466 10.0431 10.0439 10.4477 10.4482 10.8878 10.8879 11.4235 11.4302 11.5637 11.5714 k = 0.5000 0.2887 0.0954 ( 4050 PWs) bands (ev): -33.9604 -33.9604 -23.5916 -23.5916 -17.6400 -17.6394 -17.2986 -17.2978 -15.3406 -15.3385 -15.0381 -15.0339 -14.9280 -14.9207 -14.1647 -14.1633 -14.0053 -14.0052 -7.3106 -7.3061 -7.0713 -7.0709 -7.0093 -7.0047 -2.7602 -2.7584 -1.7428 -1.7421 -1.2990 -1.2982 -1.0941 -1.0939 1.2622 1.2631 1.3005 1.3040 1.3457 1.3464 1.6922 1.6941 2.6017 2.6023 2.7891 2.7903 2.8189 2.8194 3.6457 3.6466 10.0408 10.0416 10.4183 10.4189 10.8757 10.8758 11.4209 11.4276 11.5434 11.5509 k = 0.5000 0.2887 0.0795 ( 4050 PWs) bands (ev): -33.9605 -33.9605 -23.5918 -23.5918 -17.6400 -17.6396 -17.2850 -17.2843 -15.3445 -15.3427 -15.0429 -15.0393 -14.9371 -14.9309 -14.1643 -14.1632 -14.0054 -14.0053 -7.3098 -7.3060 -7.0709 -7.0705 -7.0078 -7.0039 -2.7614 -2.7598 -1.7451 -1.7445 -1.2963 -1.2957 -1.0931 -1.0930 1.2739 1.2753 1.3127 1.3166 1.3488 1.3495 1.6892 1.6909 2.6051 2.6056 2.7849 2.7858 2.8235 2.8239 3.6458 3.6465 10.0394 10.0401 10.3928 10.3933 10.8654 10.8654 11.4197 11.4263 11.5249 11.5321 k = 0.5000 0.2887 0.0636 ( 4054 PWs) bands (ev): -33.9606 -33.9606 -23.5919 -23.5919 -17.6400 -17.6397 -17.2735 -17.2729 -15.3480 -15.3464 -15.0475 -15.0446 -14.9437 -14.9387 -14.1640 -14.1631 -14.0056 -14.0055 -7.3090 -7.3059 -7.0705 -7.0703 -7.0064 -7.0033 -2.7623 -2.7611 -1.7470 -1.7465 -1.2942 -1.2936 -1.0923 -1.0922 1.2802 1.2814 1.3264 1.3298 1.3521 1.3528 1.6865 1.6880 2.6080 2.6084 2.7812 2.7820 2.8274 2.8277 3.6458 3.6464 10.0386 10.0392 10.3713 10.3718 10.8567 10.8568 11.4198 11.4261 11.5085 11.5154 k = 0.5000 0.2887 0.0477 ( 4054 PWs) bands (ev): -33.9606 -33.9606 -23.5920 -23.5920 -17.6401 -17.6398 -17.2644 -17.2639 -15.3509 -15.3497 -15.0514 -15.0493 -14.9482 -14.9445 -14.1638 -14.1631 -14.0056 -14.0056 -7.3083 -7.3059 -7.0702 -7.0700 -7.0053 -7.0029 -2.7631 -2.7621 -1.7484 -1.7481 -1.2924 -1.2920 -1.0916 -1.0916 1.2838 1.2846 1.3375 1.3400 1.3564 1.3569 1.6842 1.6854 2.6104 2.6107 2.7782 2.7789 2.8304 2.8306 3.6459 3.6463 10.0383 10.0388 10.3542 10.3546 10.8500 10.8500 11.4212 11.4270 11.4946 11.5009 k = 0.5000 0.2887 0.0318 ( 4048 PWs) bands (ev): -33.9607 -33.9607 -23.5920 -23.5920 -17.6400 -17.6399 -17.2577 -17.2574 -15.3530 -15.3521 -15.0543 -15.0530 -14.9510 -14.9485 -14.1635 -14.1631 -14.0057 -14.0057 -7.3076 -7.3061 -7.0700 -7.0699 -7.0043 -7.0027 -2.7635 -2.7629 -1.7494 -1.7492 -1.2912 -1.2909 -1.0912 -1.0911 1.2859 1.2864 1.3441 1.3455 1.3620 1.3620 1.6826 1.6834 2.6122 2.6125 2.7761 2.7765 2.8326 2.8328 3.6460 3.6462 10.0384 10.0387 10.3418 10.3421 10.8452 10.8452 11.4235 11.4282 11.4839 11.4890 k = 0.5000 0.2887 0.0159 ( 4052 PWs) bands (ev): -33.9607 -33.9607 -23.5921 -23.5921 -17.6400 -17.6399 -17.2536 -17.2535 -15.3542 -15.3538 -15.0561 -15.0554 -14.9523 -14.9511 -14.1634 -14.1631 -14.0057 -14.0057 -7.3071 -7.3063 -7.0699 -7.0698 -7.0036 -7.0028 -2.7638 -2.7634 -1.7500 -1.7499 -1.2904 -1.2902 -1.0909 -1.0909 1.2870 1.2873 1.3471 1.3476 1.3664 1.3666 1.6816 1.6820 2.6134 2.6135 2.7748 2.7750 2.8340 2.8340 3.6460 3.6462 10.0385 10.0387 10.3342 10.3344 10.8423 10.8423 11.4262 11.4291 11.4775 11.4804 k = 0.5000 0.2887-0.0000 ( 4056 PWs) bands (ev): -33.9607 -33.9607 -23.5921 -23.5921 -17.6400 -17.6400 -17.2522 -17.2522 -15.3545 -15.3545 -15.0564 -15.0564 -14.9523 -14.9523 -14.1632 -14.1632 -14.0057 -14.0057 -7.3066 -7.3066 -7.0698 -7.0698 -7.0030 -7.0030 -2.7637 -2.7637 -1.7502 -1.7502 -1.2901 -1.2901 -1.0908 -1.0908 1.2875 1.2875 1.3481 1.3481 1.3681 1.3681 1.6814 1.6814 2.6138 2.6138 2.7744 2.7744 2.8344 2.8344 3.6461 3.6461 10.0386 10.0386 10.3317 10.3317 10.8413 10.8413 11.4284 11.4284 11.4762 11.4762 k = 0.3333 0.5774-0.0000 ( 4047 PWs) bands (ev): -33.9606 -33.9606 -23.5917 -23.5917 -17.6506 -17.6416 -17.2541 -17.2541 -15.5075 -15.2806 -15.2076 -15.0397 -14.8417 -14.7210 -14.2803 -14.2801 -13.9754 -13.9047 -7.3310 -7.2826 -7.1023 -7.0373 -7.0080 -6.9944 -2.5214 -2.5206 -2.0273 -2.0185 -1.2989 -1.2989 -1.0072 -0.9952 1.2449 1.2853 1.3325 1.3509 1.3829 1.4038 1.7480 1.7644 2.3839 2.3951 2.7834 2.7835 2.8328 2.8330 3.5320 3.5322 9.8856 9.8870 10.3818 10.3841 11.1490 11.1563 11.4520 11.4573 11.9925 11.9985 k = 0.3333 0.5774 0.0159 ( 4041 PWs) bands (ev): -33.9606 -33.9606 -23.5917 -23.5917 -17.6506 -17.6416 -17.2555 -17.2554 -15.5073 -15.2806 -15.2063 -15.0381 -14.8411 -14.7209 -14.2803 -14.2800 -13.9754 -13.9047 -7.3310 -7.2827 -7.1023 -7.0374 -7.0081 -6.9945 -2.5216 -2.5208 -2.0268 -2.0180 -1.2991 -1.2991 -1.0073 -0.9952 1.2444 1.2849 1.3308 1.3487 1.3822 1.4037 1.7483 1.7647 2.3839 2.3951 2.7832 2.7833 2.8328 2.8330 3.5319 3.5321 9.8860 9.8874 10.3844 10.3866 11.1497 11.1571 11.4525 11.4578 11.9943 12.0004 k = 0.3333 0.5774 0.0318 ( 4029 PWs) bands (ev): -33.9605 -33.9605 -23.5917 -23.5917 -17.6506 -17.6416 -17.2595 -17.2594 -15.5066 -15.2806 -15.2025 -15.0333 -14.8393 -14.7209 -14.2803 -14.2800 -13.9755 -13.9048 -7.3311 -7.2828 -7.1024 -7.0375 -7.0084 -6.9947 -2.5220 -2.5213 -2.0253 -2.0165 -1.2997 -1.2997 -1.0074 -0.9954 1.2428 1.2835 1.3256 1.3421 1.3804 1.4035 1.7491 1.7655 2.3839 2.3951 2.7826 2.7827 2.8330 2.8332 3.5318 3.5320 9.8872 9.8886 10.3921 10.3943 11.1518 11.1592 11.4537 11.4590 12.0000 12.0060 k = 0.3333 0.5774 0.0477 ( 4035 PWs) bands (ev): -33.9605 -33.9605 -23.5916 -23.5916 -17.6505 -17.6415 -17.2661 -17.2660 -15.5055 -15.2807 -15.1964 -15.0255 -14.8364 -14.7209 -14.2802 -14.2799 -13.9756 -13.9050 -7.3313 -7.2831 -7.1026 -7.0377 -7.0089 -6.9953 -2.5228 -2.5221 -2.0228 -2.0141 -1.3006 -1.3006 -1.0076 -0.9956 1.2400 1.2812 1.3163 1.3313 1.3779 1.4031 1.7504 1.7667 2.3839 2.3951 2.7817 2.7817 2.8333 2.8334 3.5317 3.5319 9.8893 9.8907 10.4048 10.4071 11.1551 11.1626 11.4557 11.4611 12.0091 12.0152 k = 0.3333 0.5774 0.0636 ( 4029 PWs) bands (ev): -33.9604 -33.9604 -23.5915 -23.5915 -17.6504 -17.6414 -17.2752 -17.2751 -15.5040 -15.2808 -15.1882 -15.0146 -14.8321 -14.7208 -14.2801 -14.2798 -13.9757 -13.9052 -7.3316 -7.2835 -7.1027 -7.0380 -7.0096 -6.9959 -2.5239 -2.5232 -2.0194 -2.0106 -1.3020 -1.3018 -1.0080 -0.9960 1.2361 1.2779 1.3028 1.3166 1.3754 1.4026 1.7520 1.7683 2.3839 2.3952 2.7803 2.7804 2.8337 2.8338 3.5315 3.5317 9.8924 9.8938 10.4224 10.4247 11.1598 11.1673 11.4586 11.4640 12.0218 12.0280 k = 0.3333 0.5774 0.0795 ( 4035 PWs) bands (ev): -33.9603 -33.9603 -23.5914 -23.5914 -17.6503 -17.6412 -17.2866 -17.2865 -15.5024 -15.2810 -15.1781 -15.0007 -14.8264 -14.7207 -14.2799 -14.2796 -13.9759 -13.9054 -7.3319 -7.2840 -7.1030 -7.0384 -7.0105 -6.9968 -2.5253 -2.5247 -2.0150 -2.0063 -1.3037 -1.3035 -1.0084 -0.9964 1.2308 1.2738 1.2850 1.2985 1.3730 1.4019 1.7538 1.7701 2.3838 2.3952 2.7785 2.7787 2.8343 2.8343 3.5312 3.5314 9.8966 9.8980 10.4447 10.4469 11.1657 11.1733 11.4622 11.4676 12.0377 12.0439 k = 0.3333 0.5774 0.0954 ( 4035 PWs) bands (ev): -33.9602 -33.9602 -23.5913 -23.5913 -17.6501 -17.6411 -17.3002 -17.3000 -15.5005 -15.2812 -15.1664 -14.9840 -14.8191 -14.7207 -14.2797 -14.2794 -13.9762 -13.9058 -7.3324 -7.2846 -7.1033 -7.0388 -7.0115 -6.9978 -2.5270 -2.5264 -2.0097 -2.0010 -1.3057 -1.3054 -1.0089 -0.9969 1.2234 1.2631 1.2689 1.2779 1.3710 1.4011 1.7558 1.7719 2.3838 2.3952 2.7764 2.7767 2.8350 2.8350 3.5308 3.5310 9.9020 9.9033 10.4714 10.4736 11.1729 11.1805 11.4667 11.4721 12.0565 12.0613 k = 0.3333 0.5774 0.1113 ( 4041 PWs) bands (ev): -33.9601 -33.9601 -23.5911 -23.5911 -17.6500 -17.6409 -17.3157 -17.3156 -15.4984 -15.2814 -15.1536 -14.9647 -14.8102 -14.7206 -14.2795 -14.2792 -13.9765 -13.9061 -7.3328 -7.2853 -7.1037 -7.0394 -7.0128 -6.9991 -2.5290 -2.5285 -2.0036 -1.9948 -1.3081 -1.3077 -1.0095 -0.9976 1.2126 1.2374 1.2565 1.2631 1.3691 1.4001 1.7577 1.7738 2.3838 2.3952 2.7739 2.7743 2.8358 2.8359 3.5304 3.5306 9.9087 9.9101 10.5023 10.5045 11.1811 11.1889 11.4720 11.4774 12.0687 12.0772 k = 0.3333 0.5774 0.1272 ( 4047 PWs) bands (ev): -33.9600 -33.9600 -23.5909 -23.5909 -17.6498 -17.6407 -17.3330 -17.3328 -15.4964 -15.2817 -15.1401 -14.9429 -14.7994 -14.7205 -14.2793 -14.2789 -13.9768 -13.9066 -7.3334 -7.2861 -7.1041 -7.0400 -7.0142 -7.0004 -2.5312 -2.5308 -1.9966 -1.9878 -1.3108 -1.3103 -1.0102 -0.9983 1.1953 1.2084 1.2378 1.2566 1.3673 1.3990 1.7594 1.7755 2.3838 2.3953 2.7710 2.7716 2.8367 2.8369 3.5300 3.5302 9.9168 9.9182 10.5371 10.5393 11.1905 11.1984 11.4780 11.4836 12.0769 12.0869 k = 0.3333 0.5774 0.1431 ( 4047 PWs) bands (ev): -33.9599 -33.9599 -23.5908 -23.5907 -17.6496 -17.6404 -17.3518 -17.3516 -15.4943 -15.2820 -15.1263 -14.9188 -14.7866 -14.7204 -14.2790 -14.2787 -13.9771 -13.9070 -7.3340 -7.2869 -7.1045 -7.0407 -7.0157 -7.0019 -2.5336 -2.5333 -1.9888 -1.9801 -1.3138 -1.3131 -1.0110 -0.9990 1.1699 1.1765 1.2237 1.2493 1.3655 1.3978 1.7610 1.7771 2.3838 2.3953 2.7677 2.7685 2.8378 2.8381 3.5295 3.5297 9.9264 9.9278 10.5757 10.5778 11.2008 11.2089 11.4850 11.4906 12.0860 12.0962 k = 0.3333 0.5774 0.1590 ( 4047 PWs) bands (ev): -33.9597 -33.9597 -23.5905 -23.5905 -17.6493 -17.6402 -17.3719 -17.3716 -15.4924 -15.2823 -15.1125 -14.8927 -14.7716 -14.7202 -14.2787 -14.2784 -13.9775 -13.9075 -7.3347 -7.2879 -7.1050 -7.0414 -7.0173 -7.0036 -2.5362 -2.5361 -1.9804 -1.9716 -1.3171 -1.3162 -1.0118 -0.9999 1.1384 1.1419 1.2126 1.2414 1.3638 1.3964 1.7623 1.7785 2.3838 2.3954 2.7642 2.7652 2.8390 2.8395 3.5289 3.5291 9.9375 9.9389 10.6176 10.6197 11.2121 11.2203 11.4927 11.4984 12.0957 12.1062 k = 0.3333 0.5774 0.1749 ( 4047 PWs) bands (ev): -33.9595 -33.9595 -23.5903 -23.5903 -17.6491 -17.6399 -17.3930 -17.3927 -15.4905 -15.2826 -15.0993 -14.8648 -14.7545 -14.7201 -14.2784 -14.2780 -13.9778 -13.9081 -7.3354 -7.2889 -7.1056 -7.0422 -7.0191 -7.0053 -2.5390 -2.5390 -1.9712 -1.9624 -1.3206 -1.3196 -1.0127 -1.0008 1.1030 1.1051 1.2025 1.2329 1.3621 1.3950 1.7634 1.7796 2.3838 2.3956 2.7603 2.7615 2.8404 2.8410 3.5284 3.5285 9.9502 9.9515 10.6628 10.6648 11.2241 11.2325 11.5014 11.5071 12.1060 12.1167 k = 0.3333 0.5774 0.1908 ( 4059 PWs) bands (ev): -33.9593 -33.9593 -23.5901 -23.5901 -17.6489 -17.6396 -17.4150 -17.4145 -15.4888 -15.2830 -15.0869 -14.8354 -14.7351 -14.7200 -14.2780 -14.2777 -13.9782 -13.9087 -7.3362 -7.2900 -7.1061 -7.0430 -7.0210 -7.0072 -2.5421 -2.5420 -1.9615 -1.9527 -1.3243 -1.3232 -1.0136 -1.0018 1.0651 1.0663 1.1926 1.2239 1.3603 1.3934 1.7642 1.7804 2.3839 2.3957 2.7562 2.7576 2.8419 2.8427 3.5277 3.5279 9.9643 9.9655 10.7108 10.7128 11.2369 11.2455 11.5109 11.5167 12.1168 12.1278 k = 0.3333 0.5774 0.2067 ( 4068 PWs) bands (ev): -33.9592 -33.9592 -23.5898 -23.5898 -17.6486 -17.6393 -17.4375 -17.4370 -15.4872 -15.2834 -15.0754 -14.8049 -14.7198 -14.7137 -14.2777 -14.2773 -13.9786 -13.9093 -7.3371 -7.2911 -7.1067 -7.0439 -7.0230 -7.0092 -2.5454 -2.5451 -1.9513 -1.9424 -1.3283 -1.3270 -1.0146 -1.0028 1.0252 1.0259 1.1827 1.2144 1.3585 1.3917 1.7647 1.7810 2.3840 2.3959 2.7518 2.7534 2.8436 2.8445 3.5271 3.5272 9.9797 9.9810 10.7616 10.7635 11.2503 11.2590 11.5214 11.5273 12.1280 12.1392 k = 0.3333 0.5774 0.2226 ( 4059 PWs) bands (ev): -33.9590 -33.9590 -23.5896 -23.5896 -17.6484 -17.6389 -17.4604 -17.4598 -15.4857 -15.2838 -15.0649 -14.7733 -14.7197 -14.6903 -14.2773 -14.2770 -13.9789 -13.9099 -7.3379 -7.2923 -7.1074 -7.0449 -7.0250 -7.0112 -2.5487 -2.5483 -1.9405 -1.9317 -1.3324 -1.3309 -1.0156 -1.0039 0.9839 0.9843 1.1726 1.2046 1.3566 1.3900 1.7650 1.7813 2.3841 2.3962 2.7472 2.7490 2.8454 2.8465 3.5264 3.5265 9.9966 9.9978 10.8148 10.8166 11.2642 11.2731 11.5329 11.5388 12.1395 12.1510 k = 0.3333 0.5774 0.2385 ( 4053 PWs) bands (ev): -33.9587 -33.9587 -23.5893 -23.5893 -17.6481 -17.6386 -17.4835 -17.4828 -15.4843 -15.2842 -15.0555 -14.7411 -14.7195 -14.6652 -14.2769 -14.2766 -13.9793 -13.9106 -7.3388 -7.2935 -7.1080 -7.0458 -7.0271 -7.0133 -2.5521 -2.5516 -1.9295 -1.9206 -1.3366 -1.3350 -1.0167 -1.0050 0.9415 0.9417 1.1623 1.1944 1.3547 1.3882 1.7651 1.7814 2.3843 2.3965 2.7423 2.7444 2.8473 2.8485 3.5256 3.5258 10.0146 10.0157 10.8702 10.8719 11.2786 11.2876 11.5456 11.5515 12.1512 12.1629 k = 0.3333 0.5774 0.2544 ( 4053 PWs) bands (ev): -33.9585 -33.9585 -23.5890 -23.5890 -17.6479 -17.6383 -17.5067 -17.5058 -15.4831 -15.2846 -15.0473 -14.7193 -14.7085 -14.6388 -14.2765 -14.2762 -13.9796 -13.9112 -7.3397 -7.2947 -7.1087 -7.0468 -7.0293 -7.0154 -2.5556 -2.5550 -1.9181 -1.9093 -1.3410 -1.3391 -1.0178 -1.0061 0.8984 0.8984 1.1519 1.1840 1.3528 1.3863 1.7649 1.7812 2.3846 2.3968 2.7373 2.7396 2.8493 2.8507 3.5249 3.5251 10.0336 10.0347 10.9273 10.9289 11.2932 11.3024 11.5594 11.5654 12.1629 12.1749 k = 0.3333 0.5774 0.2703 ( 4053 PWs) bands (ev): -33.9583 -33.9583 -23.5887 -23.5887 -17.6477 -17.6379 -17.5296 -17.5285 -15.4821 -15.2850 -15.0400 -14.7191 -14.6758 -14.6113 -14.2761 -14.2758 -13.9798 -13.9119 -7.3406 -7.2960 -7.1093 -7.0477 -7.0315 -7.0175 -2.5592 -2.5584 -1.9065 -1.8977 -1.3454 -1.3434 -1.0189 -1.0073 0.8549 0.8550 1.1414 1.1734 1.3509 1.3844 1.7645 1.7809 2.3848 2.3972 2.7322 2.7347 2.8514 2.8530 3.5241 3.5243 10.0535 10.0545 10.9858 10.9872 11.3079 11.3174 11.5747 11.5806 12.1746 12.1869 k = 0.3333 0.5774 0.2862 ( 4053 PWs) bands (ev): -33.9581 -33.9581 -23.5884 -23.5884 -17.6477 -17.6376 -17.5522 -17.5508 -15.4812 -15.2854 -15.0336 -14.7190 -14.6431 -14.5831 -14.2757 -14.2753 -13.9800 -13.9126 -7.3415 -7.2973 -7.1100 -7.0488 -7.0336 -7.0197 -2.5627 -2.5618 -1.8949 -1.8860 -1.3499 -1.3477 -1.0200 -1.0084 0.8114 0.8115 1.1309 1.1628 1.3489 1.3824 1.7640 1.7805 2.3851 2.3976 2.7269 2.7297 2.8535 2.8553 3.5234 3.5235 10.0741 10.0751 11.0453 11.0464 11.3227 11.3323 11.5916 11.5975 12.1861 12.1987 k = 0.3333 0.5774 0.3021 ( 4050 PWs) bands (ev): -33.9579 -33.9579 -23.5881 -23.5881 -17.6477 -17.6372 -17.5743 -17.5725 -15.4803 -15.2859 -15.0281 -14.7188 -14.6109 -14.5545 -14.2753 -14.2749 -13.9802 -13.9133 -7.3425 -7.2986 -7.1107 -7.0497 -7.0358 -7.0218 -2.5662 -2.5651 -1.8832 -1.8743 -1.3543 -1.3520 -1.0211 -1.0096 0.7682 0.7684 1.1204 1.1522 1.3469 1.3804 1.7633 1.7799 2.3855 2.3980 2.7216 2.7247 2.8557 2.8576 3.5226 3.5228 10.0952 10.0961 11.1050 11.1059 11.3374 11.3473 11.6106 11.6164 12.1975 12.2103 k = 0.3333 0.5774 0.3180 ( 4047 PWs) bands (ev): -33.9577 -33.9577 -23.5878 -23.5878 -17.6481 -17.6368 -17.5958 -17.5932 -15.4796 -15.2863 -15.0233 -14.7186 -14.5793 -14.5258 -14.2748 -14.2745 -13.9803 -13.9140 -7.3434 -7.2998 -7.1114 -7.0507 -7.0379 -7.0239 -2.5696 -2.5684 -1.8715 -1.8626 -1.3588 -1.3562 -1.0222 -1.0107 0.7256 0.7259 1.1100 1.1416 1.3450 1.3785 1.7625 1.7791 2.3859 2.3985 2.7163 2.7196 2.8579 2.8600 3.5218 3.5220 10.1167 10.1174 11.1644 11.1649 11.3520 11.3621 11.6321 11.6376 12.2085 12.2217 k = 0.3333 0.5774 0.3339 ( 4047 PWs) bands (ev): -33.9575 -33.9575 -23.5876 -23.5876 -17.6493 -17.6365 -17.6166 -17.6124 -15.4790 -15.2867 -15.0191 -14.7185 -14.5485 -14.4975 -14.2744 -14.2741 -13.9803 -13.9146 -7.3443 -7.3011 -7.1121 -7.0517 -7.0401 -7.0260 -2.5730 -2.5717 -1.8600 -1.8511 -1.3631 -1.3604 -1.0233 -1.0119 0.6840 0.6842 1.0998 1.1313 1.3430 1.3765 1.7617 1.7784 2.3863 2.3990 2.7110 2.7145 2.8601 2.8623 3.5211 3.5212 10.1382 10.1388 11.2223 11.2224 11.3663 11.3765 11.6568 11.6618 12.2193 12.2326 k = 0.3333 0.5774 0.3499 ( 4050 PWs) bands (ev): -33.9573 -33.9573 -23.5873 -23.5873 -17.6530 -17.6364 -17.6362 -17.6283 -15.4785 -15.2871 -15.0154 -14.7183 -14.5188 -14.4696 -14.2740 -14.2737 -13.9803 -13.9153 -7.3452 -7.3023 -7.1127 -7.0527 -7.0421 -7.0280 -2.5763 -2.5748 -1.8487 -1.8398 -1.3674 -1.3645 -1.0244 -1.0130 0.6435 0.6438 1.0898 1.1212 1.3411 1.3746 1.7608 1.7775 2.3867 2.3995 2.7058 2.7095 2.8622 2.8646 3.5203 3.5205 10.1595 10.1601 11.2773 11.2778 11.3802 11.3906 11.6852 11.6897 12.2296 12.2432 k = 0.3333 0.5774 0.3658 ( 4056 PWs) bands (ev): -33.9571 -33.9571 -23.5870 -23.5870 -17.6628 -17.6554 -17.6371 -17.6358 -15.4781 -15.2875 -15.0122 -14.7182 -14.4904 -14.4426 -14.2737 -14.2734 -13.9801 -13.9159 -7.3461 -7.3035 -7.1134 -7.0536 -7.0441 -7.0300 -2.5794 -2.5778 -1.8378 -1.8288 -1.3716 -1.3685 -1.0254 -1.0141 0.6045 0.6049 1.0802 1.1114 1.3393 1.3727 1.7599 1.7766 2.3872 2.4001 2.7006 2.7045 2.8643 2.8668 3.5196 3.5198 10.1805 10.1809 11.3284 11.3296 11.3936 11.4042 11.7182 11.7219 12.2394 12.2532 k = 0.3333 0.5774 0.3817 ( 4068 PWs) bands (ev): -33.9569 -33.9569 -23.5868 -23.5868 -17.6774 -17.6733 -17.6401 -17.6355 -15.4777 -15.2879 -15.0095 -14.7180 -14.4634 -14.4167 -14.2733 -14.2730 -13.9799 -13.9165 -7.3470 -7.3047 -7.1140 -7.0545 -7.0460 -7.0319 -2.5824 -2.5807 -1.8272 -1.8183 -1.3755 -1.3724 -1.0264 -1.0151 0.5673 0.5676 1.0709 1.1019 1.3375 1.3709 1.7589 1.7757 2.3876 2.4006 2.6956 2.6998 2.8664 2.8690 3.5189 3.5191 10.2010 10.2013 11.3745 11.3766 11.4064 11.4171 11.7563 11.7590 12.2487 12.2627 k = 0.3333 0.5774 0.3976 ( 4074 PWs) bands (ev): -33.9567 -33.9567 -23.5865 -23.5865 -17.6928 -17.6900 -17.6411 -17.6352 -15.4774 -15.2883 -15.0071 -14.7179 -14.4380 -14.3920 -14.2729 -14.2727 -13.9796 -13.9171 -7.3478 -7.3057 -7.1146 -7.0553 -7.0478 -7.0337 -2.5852 -2.5834 -1.8172 -1.8082 -1.3793 -1.3760 -1.0274 -1.0161 0.5321 0.5324 1.0621 1.0930 1.3357 1.3691 1.7580 1.7749 2.3881 2.4012 2.6909 2.6952 2.8683 2.8711 3.5183 3.5184 10.2206 10.2208 11.4150 11.4179 11.4185 11.4295 11.7994 11.8008 12.2574 12.2716 k = 0.3333 0.5774 0.4135 ( 4068 PWs) bands (ev): -33.9565 -33.9565 -23.5863 -23.5863 -17.7077 -17.7055 -17.6415 -17.6349 -15.4771 -15.2886 -15.0050 -14.7177 -14.4144 -14.3688 -14.2726 -14.2724 -13.9792 -13.9176 -7.3485 -7.3068 -7.1151 -7.0561 -7.0494 -7.0353 -2.5879 -2.5860 -1.8077 -1.7987 -1.3829 -1.3795 -1.0283 -1.0170 0.4991 0.4995 1.0539 1.0846 1.3341 1.3675 1.7571 1.7740 2.3886 2.4017 2.6863 2.6908 2.8701 2.8730 3.5176 3.5178 10.2393 10.2394 11.4299 11.4408 11.4496 11.4536 11.8465 11.8466 12.2655 12.2799 k = 0.3333 0.5774 0.4294 ( 4068 PWs) bands (ev): -33.9564 -33.9564 -23.5861 -23.5861 -17.7215 -17.7198 -17.6416 -17.6347 -15.4769 -15.2889 -15.0032 -14.7176 -14.3926 -14.3473 -14.2722 -14.2721 -13.9787 -13.9181 -7.3492 -7.3077 -7.1157 -7.0568 -7.0510 -7.0368 -2.5903 -2.5883 -1.7989 -1.7899 -1.3862 -1.3827 -1.0291 -1.0179 0.4686 0.4690 1.0462 1.0768 1.3326 1.3660 1.7562 1.7732 2.3891 2.4023 2.6821 2.6868 2.8718 2.8749 3.5171 3.5172 10.2568 10.2569 11.4405 11.4516 11.4786 11.4833 11.8942 11.8960 12.2730 12.2876 k = 0.3333 0.5774 0.4453 ( 4062 PWs) bands (ev): -33.9562 -33.9562 -23.5859 -23.5859 -17.7341 -17.7327 -17.6416 -17.6344 -15.4767 -15.2892 -15.0016 -14.7175 -14.3729 -14.3276 -14.2719 -14.2718 -13.9781 -13.9186 -7.3499 -7.3086 -7.1161 -7.0575 -7.0524 -7.0382 -2.5925 -2.5904 -1.7908 -1.7818 -1.3893 -1.3856 -1.0298 -1.0187 0.4408 0.4411 1.0392 1.0696 1.3312 1.3646 1.7554 1.7724 2.3895 2.4028 2.6782 2.6830 2.8734 2.8765 3.5165 3.5167 10.2729 10.2731 11.4502 11.4614 11.5028 11.5081 11.9413 11.9452 12.2798 12.2945 k = 0.3333 0.5774 0.4612 ( 4053 PWs) bands (ev): -33.9561 -33.9561 -23.5857 -23.5857 -17.7455 -17.7442 -17.6416 -17.6342 -15.4765 -15.2895 -15.0003 -14.7173 -14.3553 -14.3100 -14.2716 -14.2715 -13.9775 -13.9190 -7.3505 -7.3093 -7.1165 -7.0581 -7.0537 -7.0395 -2.5945 -2.5923 -1.7834 -1.7745 -1.3920 -1.3883 -1.0305 -1.0194 0.4157 0.4161 1.0328 1.0632 1.3300 1.3633 1.7547 1.7717 2.3899 2.4033 2.6746 2.6796 2.8748 2.8781 3.5161 3.5162 10.2874 10.2877 11.4589 11.4702 11.5227 11.5286 11.9848 11.9910 12.2859 12.3007 k = 0.3333 0.5774 0.4771 ( 4047 PWs) bands (ev): -33.9560 -33.9560 -23.5856 -23.5856 -17.7554 -17.7542 -17.6415 -17.6340 -15.4764 -15.2897 -14.9992 -14.7172 -14.3399 -14.2946 -14.2714 -14.2710 -13.9769 -13.9193 -7.3510 -7.3100 -7.1169 -7.0586 -7.0548 -7.0406 -2.5962 -2.5940 -1.7770 -1.7680 -1.3944 -1.3906 -1.0311 -1.0200 0.3937 0.3941 1.0273 1.0575 1.3289 1.3622 1.7541 1.7711 2.3903 2.4037 2.6714 2.6765 2.8761 2.8794 3.5156 3.5158 10.3004 10.3008 11.4666 11.4780 11.5390 11.5453 12.0220 12.0307 12.2912 12.3061 k = 0.3333 0.5774 0.4930 ( 4047 PWs) bands (ev): -33.9559 -33.9559 -23.5854 -23.5854 -17.7639 -17.7628 -17.6414 -17.6338 -15.4763 -15.2899 -14.9983 -14.7172 -14.3268 -14.2819 -14.2713 -14.2701 -13.9763 -13.9196 -7.3514 -7.3106 -7.1172 -7.0591 -7.0558 -7.0415 -2.5977 -2.5955 -1.7714 -1.7624 -1.3965 -1.3926 -1.0317 -1.0205 0.3748 0.3752 1.0225 1.0526 1.3279 1.3612 1.7535 1.7706 2.3906 2.4041 2.6687 2.6739 2.8772 2.8805 3.5153 3.5154 10.3115 10.3120 11.4731 11.4846 11.5522 11.5589 12.0515 12.0624 12.2958 12.3107 k = 0.3333 0.5774 0.5089 ( 4047 PWs) bands (ev): -33.9558 -33.9558 -23.5853 -23.5853 -17.7709 -17.7698 -17.6413 -17.6337 -15.4762 -15.2900 -14.9976 -14.7171 -14.3160 -14.2742 -14.2712 -14.2665 -13.9757 -13.9199 -7.3518 -7.3111 -7.1175 -7.0595 -7.0566 -7.0423 -2.5990 -2.5967 -1.7668 -1.7578 -1.3983 -1.3943 -1.0321 -1.0210 0.3592 0.3596 1.0185 1.0485 1.3271 1.3604 1.7530 1.7701 2.3909 2.4044 2.6664 2.6717 2.8780 2.8815 3.5150 3.5151 10.3208 10.3214 11.4786 11.4901 11.5626 11.5696 12.0733 12.0860 12.2995 12.3145 k = 0.3333 0.5774 0.5248 ( 4047 PWs) bands (ev): -33.9557 -33.9557 -23.5852 -23.5852 -17.7764 -17.7754 -17.6413 -17.6336 -15.4762 -15.2902 -14.9970 -14.7170 -14.3076 -14.2724 -14.2712 -14.2595 -13.9753 -13.9201 -7.3521 -7.3115 -7.1177 -7.0598 -7.0572 -7.0429 -2.5999 -2.5976 -1.7631 -1.7541 -1.3996 -1.3956 -1.0324 -1.0213 0.3470 0.3473 1.0154 1.0453 1.3265 1.3597 1.7526 1.7698 2.3912 2.4047 2.6646 2.6700 2.8787 2.8822 3.5147 3.5149 10.3281 10.3287 11.4828 11.4944 11.5705 11.5776 12.0884 12.1023 12.3025 12.3175 k = 0.3333 0.5774 0.5407 ( 4053 PWs) bands (ev): -33.9557 -33.9557 -23.5852 -23.5852 -17.7803 -17.7793 -17.6412 -17.6335 -15.4761 -15.2903 -14.9966 -14.7170 -14.3015 -14.2719 -14.2712 -14.2536 -13.9749 -13.9202 -7.3523 -7.3118 -7.1179 -7.0600 -7.0576 -7.0434 -2.6006 -2.5983 -1.7605 -1.7515 -1.4006 -1.3966 -1.0327 -1.0216 0.3381 0.3385 1.0131 1.0430 1.3260 1.3593 1.7524 1.7695 2.3913 2.4049 2.6633 2.6687 2.8793 2.8828 3.5146 3.5147 10.3334 10.3340 11.4858 11.4975 11.5760 11.5833 12.0980 12.1128 12.3046 12.3197 k = 0.3333 0.5774 0.5566 ( 4050 PWs) bands (ev): -33.9556 -33.9556 -23.5851 -23.5851 -17.7826 -17.7817 -17.6412 -17.6335 -15.4761 -15.2903 -14.9964 -14.7170 -14.2978 -14.2717 -14.2712 -14.2500 -13.9747 -13.9203 -7.3524 -7.3119 -7.1180 -7.0601 -7.0579 -7.0437 -2.6011 -2.5987 -1.7589 -1.7499 -1.4012 -1.3971 -1.0328 -1.0217 0.3328 0.3332 1.0117 1.0417 1.3258 1.3590 1.7522 1.7694 2.3914 2.4050 2.6625 2.6680 2.8796 2.8831 3.5145 3.5146 10.3366 10.3373 11.4877 11.4993 11.5793 11.5867 12.1033 12.1186 12.3058 12.3210 k = 0.3333 0.5774 0.5725 ( 4044 PWs) bands (ev): -33.9556 -33.9556 -23.5851 -23.5851 -17.7834 -17.7825 -17.6412 -17.6335 -15.4761 -15.2903 -14.9963 -14.7169 -14.2966 -14.2717 -14.2712 -14.2487 -13.9746 -13.9203 -7.3524 -7.3120 -7.1180 -7.0601 -7.0580 -7.0437 -2.6012 -2.5988 -1.7584 -1.7494 -1.4014 -1.3973 -1.0329 -1.0218 0.3311 0.3314 1.0113 1.0412 1.3257 1.3589 1.7522 1.7693 2.3915 2.4050 2.6623 2.6677 2.8797 2.8832 3.5144 3.5146 10.3377 10.3383 11.4883 11.5000 11.5804 11.5878 12.1050 12.1204 12.3063 12.3214 Writing output data file KCaCO3F.save init_run : 1.22s CPU 0.72s WALL ( 1 calls) electrons : 471.82s CPU 357.02s WALL ( 1 calls) Called by init_run: wfcinit : 0.02s CPU 0.02s WALL ( 1 calls) potinit : 0.08s CPU 0.05s WALL ( 1 calls) Called by electrons: c_bands : 471.80s CPU 357.00s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.01s WALL ( 1 calls) newd : 0.20s CPU 0.12s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.32s CPU 0.45s WALL ( 315 calls) cegterg : 432.70s CPU 334.27s WALL ( 800 calls) Called by sum_band: Called by *egterg: h_psi : 267.82s CPU 175.26s WALL ( 14578 calls) s_psi : 10.80s CPU 8.17s WALL ( 14578 calls) g_psi : 0.43s CPU 0.37s WALL ( 13463 calls) cdiaghg : 147.81s CPU 135.39s WALL ( 13778 calls) cegterg:over : 14.34s CPU 11.86s WALL ( 13463 calls) cegterg:upda : 13.13s CPU 11.41s WALL ( 13463 calls) cegterg:last : 5.18s CPU 4.57s WALL ( 1745 calls) cdiaghg:chol : 8.50s CPU 7.70s WALL ( 13778 calls) cdiaghg:inve : 5.46s CPU 5.18s WALL ( 13778 calls) cdiaghg:para : 8.90s CPU 8.31s WALL ( 27556 calls) Called by h_psi: h_psi:vloc : 239.70s CPU 153.81s WALL ( 14578 calls) h_psi:vnl : 27.61s CPU 21.06s WALL ( 14578 calls) add_vuspsi : 14.60s CPU 10.85s WALL ( 14578 calls) General routines calbec : 12.95s CPU 10.17s WALL ( 14578 calls) fft : 0.09s CPU 0.04s WALL ( 19 calls) ffts : 0.02s CPU 0.01s WALL ( 4 calls) fftw : 226.50s CPU 143.72s WALL ( 1262020 calls) interpolate : 0.02s CPU 0.01s WALL ( 4 calls) davcio : 0.44s CPU 0.89s WALL ( 630 calls) Parallel routines fft_scatter : 73.66s CPU 56.46s WALL ( 1262043 calls) PWSCF : 8m10.80s CPU 6m26.45s WALL This run was terminated on: 2:42: 9 12Feb2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=