Program PWSCF v.5.4.0 starts on 3Aug2017 at 18:54:38 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: ./CdxBH4x2.save/ file Cd.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4D 4D renormalized file B.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 2S 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 159 45 13 10255 1571 243 Max 160 46 14 10260 1602 248 Sum 5753 1649 481 369305 56963 8827 bravais-lattice index = 14 lattice parameter (alat) = 10.6382 a.u. unit-cell volume = 1353.4239 (a.u.)^3 number of atoms/cell = 22 number of atomic types = 3 number of electrons = 52.00 number of Kohn-Sham states= 62 kinetic-energy cutoff = 46.0000 Ry charge density cutoff = 639.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 10.638175 celldm(2)= 1.000000 celldm(3)= 1.124171 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= 0.000000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.000000 1.000000 0.000000 ) a(3) = ( 0.000000 0.000000 1.124171 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 1.000000 -0.000000 ) b(3) = ( 0.000000 0.000000 0.889544 ) PseudoPot. # 1 for Cd read from file: /users/gautes/Pseudo/Cd.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 1d41bce1441572f114805845d9d822b0 Pseudo is Ultrasoft + core correction, Zval = 12.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1239 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for H read from file: /users/gautes/Pseudo/H.rel-pbe-rrkjus_psl.1.0.0.UPF MD5 check sum: 34277445e838504cb8bc9abe3bdfc49d Pseudo is Ultrasoft, Zval = 1.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 929 points, 2 beta functions with: l(1) = 0 l(2) = 0 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for B read from file: /users/gautes/Pseudo/B.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e6935728e521ae6844adca162131706c Pseudo is Ultrasoft + core correction, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1059 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 Cd 12.00 112.41100 Cd( 1.00) H 1.00 1.00790 H( 1.00) B 3.00 10.81100 B( 1.00) 8 Sym. Ops. (no inversion) found ( 4 have fractional translation) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s( 2) = ( -1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 3 90 deg rotation - cart. axis [0,0,-1] cryst. s( 3) = ( 0 -1 0 ) f =( 0.5000000 ) ( 1 0 0 ) ( 0.5000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s( 3) = ( -0.0000000 1.0000000 0.0000000 ) f =( 0.5000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.5000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.5620857 ) isym = 4 90 deg rotation - cart. axis [0,0,1] cryst. s( 4) = ( 0 1 0 ) f =( 0.5000000 ) ( -1 0 0 ) ( 0.5000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s( 4) = ( 0.0000000 -1.0000000 0.0000000 ) f =( 0.5000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.5000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.5620857 ) isym = 5 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s( 5) = ( 1 0 0 ) f =( 0.5000000 ) ( 0 -1 0 ) ( 0.5000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s( 5) = ( 1.0000000 -0.0000000 0.0000000 ) f =( 0.5000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.5000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.5620857 ) isym = 6 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 6) = ( -1 0 0 ) f =( 0.5000000 ) ( 0 1 0 ) ( 0.5000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s( 6) = ( -1.0000000 0.0000000 0.0000000 ) f =( 0.5000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.5000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.5620857 ) isym = 7 inv. 180 deg rotation - cart. axis [1,1,0] cryst. s( 7) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s( 7) = ( -0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 8 inv. 180 deg rotation - cart. axis [1,-1,0] cryst. s( 8) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s( 8) = ( 0.0000000 1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group C_4v (4mm) there are 7 classes and 2 irreducible representations the character table: E -E 2C4 -2C4 C2 2s_v 2s_d -C2 -2s_v -2s_d G_6 2.00 -2.00 1.41 -1.41 0.00 0.00 0.00 G_7 2.00 -2.00 -1.41 1.41 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 2C4 3 4 90 deg rotation - cart. axis [0,0,-1] -2C4 -3 -4 90 deg rotation - cart. axis [0,0,-1] E C2 -C2 2 -2 180 deg rotation - cart. axis [0,0,1] 2s_v-2s_v 5 -5 6 -6 inv. 180 deg rotation - cart. axis [0,1,0] 2s_d-2s_d 7 -7 -8 8 inv. 180 deg rotation - cart. axis [1,1,0] Cartesian axes number of k points= 276 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036232 k( 2) = ( 0.0000000 0.0178571 -0.0000000), wk = 0.0036232 k( 3) = ( 0.0000000 0.0357143 -0.0000000), wk = 0.0036232 k( 4) = ( 0.0000000 0.0535714 -0.0000000), wk = 0.0036232 k( 5) = ( 0.0000000 0.0714286 -0.0000000), wk = 0.0036232 k( 6) = ( 0.0000000 0.0892857 -0.0000000), wk = 0.0036232 k( 7) = ( 0.0000000 0.1071429 -0.0000000), wk = 0.0036232 k( 8) = ( 0.0000000 0.1250000 -0.0000000), wk = 0.0036232 k( 9) = ( 0.0000000 0.1428571 -0.0000000), wk = 0.0036232 k( 10) = ( 0.0000000 0.1607143 -0.0000000), wk = 0.0036232 k( 11) = ( 0.0000000 0.1785714 -0.0000000), wk = 0.0036232 k( 12) = ( 0.0000000 0.1964286 -0.0000000), wk = 0.0036232 k( 13) = ( 0.0000000 0.2142857 -0.0000000), wk = 0.0036232 k( 14) = ( 0.0000000 0.2321429 -0.0000000), wk = 0.0036232 k( 15) = ( 0.0000000 0.2500000 -0.0000000), wk = 0.0036232 k( 16) = ( 0.0000000 0.2678571 -0.0000000), wk = 0.0036232 k( 17) = ( 0.0000000 0.2857143 -0.0000000), wk = 0.0036232 k( 18) = ( 0.0000000 0.3035714 -0.0000000), wk = 0.0036232 k( 19) = ( 0.0000000 0.3214286 -0.0000000), wk = 0.0036232 k( 20) = ( 0.0000000 0.3392857 -0.0000000), wk = 0.0036232 k( 21) = ( 0.0000000 0.3571429 -0.0000000), wk = 0.0036232 k( 22) = ( 0.0000000 0.3750000 -0.0000000), wk = 0.0036232 k( 23) = ( 0.0000000 0.3928571 -0.0000000), wk = 0.0036232 k( 24) = ( 0.0000000 0.4107143 -0.0000000), wk = 0.0036232 k( 25) = ( 0.0000000 0.4285714 -0.0000000), wk = 0.0036232 k( 26) = ( 0.0000000 0.4464286 -0.0000000), wk = 0.0036232 k( 27) = ( 0.0000000 0.4642857 -0.0000000), wk = 0.0036232 k( 28) = ( 0.0000000 0.4821429 -0.0000000), wk = 0.0036232 k( 29) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0036232 k( 30) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0036232 k( 31) = ( 0.0178571 0.5000000 -0.0000000), wk = 0.0036232 k( 32) = ( 0.0357143 0.5000000 -0.0000000), wk = 0.0036232 k( 33) = ( 0.0535714 0.5000000 -0.0000000), wk = 0.0036232 k( 34) = ( 0.0714286 0.5000000 -0.0000000), wk = 0.0036232 k( 35) = ( 0.0892857 0.5000000 -0.0000000), wk = 0.0036232 k( 36) = ( 0.1071429 0.5000000 -0.0000000), wk = 0.0036232 k( 37) = ( 0.1250000 0.5000000 -0.0000000), wk = 0.0036232 k( 38) = ( 0.1428571 0.5000000 -0.0000000), wk = 0.0036232 k( 39) = ( 0.1607143 0.5000000 -0.0000000), wk = 0.0036232 k( 40) = ( 0.1785714 0.5000000 -0.0000000), wk = 0.0036232 k( 41) = ( 0.1964286 0.5000000 -0.0000000), wk = 0.0036232 k( 42) = ( 0.2142857 0.5000000 -0.0000000), wk = 0.0036232 k( 43) = ( 0.2321429 0.5000000 -0.0000000), wk = 0.0036232 k( 44) = ( 0.2500000 0.5000000 -0.0000000), wk = 0.0036232 k( 45) = ( 0.2678571 0.5000000 -0.0000000), wk = 0.0036232 k( 46) = ( 0.2857143 0.5000000 -0.0000000), wk = 0.0036232 k( 47) = ( 0.3035714 0.5000000 -0.0000000), wk = 0.0036232 k( 48) = ( 0.3214286 0.5000000 -0.0000000), wk = 0.0036232 k( 49) = ( 0.3392857 0.5000000 -0.0000000), wk = 0.0036232 k( 50) = ( 0.3571429 0.5000000 -0.0000000), wk = 0.0036232 k( 51) = ( 0.3750000 0.5000000 -0.0000000), wk = 0.0036232 k( 52) = ( 0.3928571 0.5000000 -0.0000000), wk = 0.0036232 k( 53) = ( 0.4107143 0.5000000 -0.0000000), wk = 0.0036232 k( 54) = ( 0.4285714 0.5000000 -0.0000000), wk = 0.0036232 k( 55) = ( 0.4464286 0.5000000 -0.0000000), wk = 0.0036232 k( 56) = ( 0.4642857 0.5000000 -0.0000000), wk = 0.0036232 k( 57) = ( 0.4821429 0.5000000 -0.0000000), wk = 0.0036232 k( 58) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0036232 k( 59) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0036232 k( 60) = ( 0.4875000 0.4875000 -0.0000000), wk = 0.0036232 k( 61) = ( 0.4750000 0.4750000 -0.0000000), wk = 0.0036232 k( 62) = ( 0.4625000 0.4625000 -0.0000000), wk = 0.0036232 k( 63) = ( 0.4500000 0.4500000 -0.0000000), wk = 0.0036232 k( 64) = ( 0.4375000 0.4375000 -0.0000000), wk = 0.0036232 k( 65) = ( 0.4250000 0.4250000 -0.0000000), wk = 0.0036232 k( 66) = ( 0.4125000 0.4125000 -0.0000000), wk = 0.0036232 k( 67) = ( 0.4000000 0.4000000 -0.0000000), wk = 0.0036232 k( 68) = ( 0.3875000 0.3875000 -0.0000000), wk = 0.0036232 k( 69) = ( 0.3750000 0.3750000 -0.0000000), wk = 0.0036232 k( 70) = ( 0.3625000 0.3625000 -0.0000000), wk = 0.0036232 k( 71) = ( 0.3500000 0.3500000 -0.0000000), wk = 0.0036232 k( 72) = ( 0.3375000 0.3375000 -0.0000000), wk = 0.0036232 k( 73) = ( 0.3250000 0.3250000 -0.0000000), wk = 0.0036232 k( 74) = ( 0.3125000 0.3125000 -0.0000000), wk = 0.0036232 k( 75) = ( 0.3000000 0.3000000 -0.0000000), wk = 0.0036232 k( 76) = ( 0.2875000 0.2875000 -0.0000000), wk = 0.0036232 k( 77) = ( 0.2750000 0.2750000 -0.0000000), wk = 0.0036232 k( 78) = ( 0.2625000 0.2625000 -0.0000000), wk = 0.0036232 k( 79) = ( 0.2500000 0.2500000 -0.0000000), wk = 0.0036232 k( 80) = ( 0.2375000 0.2375000 -0.0000000), wk = 0.0036232 k( 81) = ( 0.2250000 0.2250000 -0.0000000), wk = 0.0036232 k( 82) = ( 0.2125000 0.2125000 -0.0000000), wk = 0.0036232 k( 83) = ( 0.2000000 0.2000000 -0.0000000), wk = 0.0036232 k( 84) = ( 0.1875000 0.1875000 -0.0000000), wk = 0.0036232 k( 85) = ( 0.1750000 0.1750000 -0.0000000), wk = 0.0036232 k( 86) = ( 0.1625000 0.1625000 -0.0000000), wk = 0.0036232 k( 87) = ( 0.1500000 0.1500000 -0.0000000), wk = 0.0036232 k( 88) = ( 0.1375000 0.1375000 -0.0000000), wk = 0.0036232 k( 89) = ( 0.1250000 0.1250000 -0.0000000), wk = 0.0036232 k( 90) = ( 0.1125000 0.1125000 -0.0000000), wk = 0.0036232 k( 91) = ( 0.1000000 0.1000000 -0.0000000), wk = 0.0036232 k( 92) = ( 0.0875000 0.0875000 -0.0000000), wk = 0.0036232 k( 93) = ( 0.0750000 0.0750000 -0.0000000), wk = 0.0036232 k( 94) = ( 0.0625000 0.0625000 -0.0000000), wk = 0.0036232 k( 95) = ( 0.0500000 0.0500000 -0.0000000), wk = 0.0036232 k( 96) = ( 0.0375000 0.0375000 -0.0000000), wk = 0.0036232 k( 97) = ( 0.0250000 0.0250000 -0.0000000), wk = 0.0036232 k( 98) = ( 0.0125000 0.0125000 -0.0000000), wk = 0.0036232 k( 99) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036232 k( 100) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036232 k( 101) = ( 0.0000000 0.0000000 0.0177909), wk = 0.0036232 k( 102) = ( 0.0000000 0.0000000 0.0355818), wk = 0.0036232 k( 103) = ( 0.0000000 0.0000000 0.0533726), wk = 0.0036232 k( 104) = ( 0.0000000 0.0000000 0.0711635), wk = 0.0036232 k( 105) = ( 0.0000000 0.0000000 0.0889544), wk = 0.0036232 k( 106) = ( 0.0000000 0.0000000 0.1067453), wk = 0.0036232 k( 107) = ( 0.0000000 0.0000000 0.1245362), wk = 0.0036232 k( 108) = ( 0.0000000 0.0000000 0.1423271), wk = 0.0036232 k( 109) = ( 0.0000000 0.0000000 0.1601179), wk = 0.0036232 k( 110) = ( 0.0000000 0.0000000 0.1779088), wk = 0.0036232 k( 111) = ( 0.0000000 0.0000000 0.1956997), wk = 0.0036232 k( 112) = ( 0.0000000 0.0000000 0.2134906), wk = 0.0036232 k( 113) = ( 0.0000000 0.0000000 0.2312815), wk = 0.0036232 k( 114) = ( 0.0000000 0.0000000 0.2490724), wk = 0.0036232 k( 115) = ( 0.0000000 0.0000000 0.2668632), wk = 0.0036232 k( 116) = ( 0.0000000 0.0000000 0.2846541), wk = 0.0036232 k( 117) = ( 0.0000000 0.0000000 0.3024450), wk = 0.0036232 k( 118) = ( 0.0000000 0.0000000 0.3202359), wk = 0.0036232 k( 119) = ( 0.0000000 0.0000000 0.3380268), wk = 0.0036232 k( 120) = ( 0.0000000 0.0000000 0.3558177), wk = 0.0036232 k( 121) = ( 0.0000000 0.0000000 0.3736085), wk = 0.0036232 k( 122) = ( 0.0000000 0.0000000 0.3913994), wk = 0.0036232 k( 123) = ( 0.0000000 0.0000000 0.4091903), wk = 0.0036232 k( 124) = ( 0.0000000 0.0000000 0.4269812), wk = 0.0036232 k( 125) = ( 0.0000000 0.0000000 0.4447721), wk = 0.0036232 k( 126) = ( 0.0000000 0.0000000 0.4447721), wk = 0.0036232 k( 127) = ( 0.0000000 0.0178571 0.4447721), wk = 0.0036232 k( 128) = ( 0.0000000 0.0357143 0.4447721), wk = 0.0036232 k( 129) = ( 0.0000000 0.0535714 0.4447721), wk = 0.0036232 k( 130) = ( 0.0000000 0.0714286 0.4447721), wk = 0.0036232 k( 131) = ( 0.0000000 0.0892857 0.4447721), wk = 0.0036232 k( 132) = ( 0.0000000 0.1071429 0.4447721), wk = 0.0036232 k( 133) = ( 0.0000000 0.1250000 0.4447721), wk = 0.0036232 k( 134) = ( 0.0000000 0.1428571 0.4447721), wk = 0.0036232 k( 135) = ( 0.0000000 0.1607143 0.4447721), wk = 0.0036232 k( 136) = ( 0.0000000 0.1785714 0.4447721), wk = 0.0036232 k( 137) = ( 0.0000000 0.1964286 0.4447721), wk = 0.0036232 k( 138) = ( 0.0000000 0.2142857 0.4447721), wk = 0.0036232 k( 139) = ( 0.0000000 0.2321429 0.4447721), wk = 0.0036232 k( 140) = ( 0.0000000 0.2500000 0.4447721), wk = 0.0036232 k( 141) = ( 0.0000000 0.2678571 0.4447721), wk = 0.0036232 k( 142) = ( 0.0000000 0.2857143 0.4447721), wk = 0.0036232 k( 143) = ( 0.0000000 0.3035714 0.4447721), wk = 0.0036232 k( 144) = ( 0.0000000 0.3214286 0.4447721), wk = 0.0036232 k( 145) = ( 0.0000000 0.3392857 0.4447721), wk = 0.0036232 k( 146) = ( 0.0000000 0.3571429 0.4447721), wk = 0.0036232 k( 147) = ( 0.0000000 0.3750000 0.4447721), wk = 0.0036232 k( 148) = ( 0.0000000 0.3928571 0.4447721), wk = 0.0036232 k( 149) = ( 0.0000000 0.4107143 0.4447721), wk = 0.0036232 k( 150) = ( 0.0000000 0.4285714 0.4447721), wk = 0.0036232 k( 151) = ( 0.0000000 0.4464286 0.4447721), wk = 0.0036232 k( 152) = ( 0.0000000 0.4642857 0.4447721), wk = 0.0036232 k( 153) = ( 0.0000000 0.4821429 0.4447721), wk = 0.0036232 k( 154) = ( 0.0000000 0.5000000 0.4447721), wk = 0.0036232 k( 155) = ( 0.0000000 0.5000000 0.4447721), wk = 0.0036232 k( 156) = ( 0.0178571 0.5000000 0.4447721), wk = 0.0036232 k( 157) = ( 0.0357143 0.5000000 0.4447721), wk = 0.0036232 k( 158) = ( 0.0535714 0.5000000 0.4447721), wk = 0.0036232 k( 159) = ( 0.0714286 0.5000000 0.4447721), wk = 0.0036232 k( 160) = ( 0.0892857 0.5000000 0.4447721), wk = 0.0036232 k( 161) = ( 0.1071429 0.5000000 0.4447721), wk = 0.0036232 k( 162) = ( 0.1250000 0.5000000 0.4447721), wk = 0.0036232 k( 163) = ( 0.1428571 0.5000000 0.4447721), wk = 0.0036232 k( 164) = ( 0.1607143 0.5000000 0.4447721), wk = 0.0036232 k( 165) = ( 0.1785714 0.5000000 0.4447721), wk = 0.0036232 k( 166) = ( 0.1964286 0.5000000 0.4447721), wk = 0.0036232 k( 167) = ( 0.2142857 0.5000000 0.4447721), wk = 0.0036232 k( 168) = ( 0.2321429 0.5000000 0.4447721), wk = 0.0036232 k( 169) = ( 0.2500000 0.5000000 0.4447721), wk = 0.0036232 k( 170) = ( 0.2678571 0.5000000 0.4447721), wk = 0.0036232 k( 171) = ( 0.2857143 0.5000000 0.4447721), wk = 0.0036232 k( 172) = ( 0.3035714 0.5000000 0.4447721), wk = 0.0036232 k( 173) = ( 0.3214286 0.5000000 0.4447721), wk = 0.0036232 k( 174) = ( 0.3392857 0.5000000 0.4447721), wk = 0.0036232 k( 175) = ( 0.3571429 0.5000000 0.4447721), wk = 0.0036232 k( 176) = ( 0.3750000 0.5000000 0.4447721), wk = 0.0036232 k( 177) = ( 0.3928571 0.5000000 0.4447721), wk = 0.0036232 k( 178) = ( 0.4107143 0.5000000 0.4447721), wk = 0.0036232 k( 179) = ( 0.4285714 0.5000000 0.4447721), wk = 0.0036232 k( 180) = ( 0.4464286 0.5000000 0.4447721), wk = 0.0036232 k( 181) = ( 0.4642857 0.5000000 0.4447721), wk = 0.0036232 k( 182) = ( 0.4821429 0.5000000 0.4447721), wk = 0.0036232 k( 183) = ( 0.5000000 0.5000000 0.4447721), wk = 0.0036232 k( 184) = ( 0.5000000 0.5000000 0.4447721), wk = 0.0036232 k( 185) = ( 0.4875000 0.4875000 0.4447721), wk = 0.0036232 k( 186) = ( 0.4750000 0.4750000 0.4447721), wk = 0.0036232 k( 187) = ( 0.4625000 0.4625000 0.4447721), wk = 0.0036232 k( 188) = ( 0.4500000 0.4500000 0.4447721), wk = 0.0036232 k( 189) = ( 0.4375000 0.4375000 0.4447721), wk = 0.0036232 k( 190) = ( 0.4250000 0.4250000 0.4447721), wk = 0.0036232 k( 191) = ( 0.4125000 0.4125000 0.4447721), wk = 0.0036232 k( 192) = ( 0.4000000 0.4000000 0.4447721), wk = 0.0036232 k( 193) = ( 0.3875000 0.3875000 0.4447721), wk = 0.0036232 k( 194) = ( 0.3750000 0.3750000 0.4447721), wk = 0.0036232 k( 195) = ( 0.3625000 0.3625000 0.4447721), wk = 0.0036232 k( 196) = ( 0.3500000 0.3500000 0.4447721), wk = 0.0036232 k( 197) = ( 0.3375000 0.3375000 0.4447721), wk = 0.0036232 k( 198) = ( 0.3250000 0.3250000 0.4447721), wk = 0.0036232 k( 199) = ( 0.3125000 0.3125000 0.4447721), wk = 0.0036232 k( 200) = ( 0.3000000 0.3000000 0.4447721), wk = 0.0036232 k( 201) = ( 0.2875000 0.2875000 0.4447721), wk = 0.0036232 k( 202) = ( 0.2750000 0.2750000 0.4447721), wk = 0.0036232 k( 203) = ( 0.2625000 0.2625000 0.4447721), wk = 0.0036232 k( 204) = ( 0.2500000 0.2500000 0.4447721), wk = 0.0036232 k( 205) = ( 0.2375000 0.2375000 0.4447721), wk = 0.0036232 k( 206) = ( 0.2250000 0.2250000 0.4447721), wk = 0.0036232 k( 207) = ( 0.2125000 0.2125000 0.4447721), wk = 0.0036232 k( 208) = ( 0.2000000 0.2000000 0.4447721), wk = 0.0036232 k( 209) = ( 0.1875000 0.1875000 0.4447721), wk = 0.0036232 k( 210) = ( 0.1750000 0.1750000 0.4447721), wk = 0.0036232 k( 211) = ( 0.1625000 0.1625000 0.4447721), wk = 0.0036232 k( 212) = ( 0.1500000 0.1500000 0.4447721), wk = 0.0036232 k( 213) = ( 0.1375000 0.1375000 0.4447721), wk = 0.0036232 k( 214) = ( 0.1250000 0.1250000 0.4447721), wk = 0.0036232 k( 215) = ( 0.1125000 0.1125000 0.4447721), wk = 0.0036232 k( 216) = ( 0.1000000 0.1000000 0.4447721), wk = 0.0036232 k( 217) = ( 0.0875000 0.0875000 0.4447721), wk = 0.0036232 k( 218) = ( 0.0750000 0.0750000 0.4447721), wk = 0.0036232 k( 219) = ( 0.0625000 0.0625000 0.4447721), wk = 0.0036232 k( 220) = ( 0.0500000 0.0500000 0.4447721), wk = 0.0036232 k( 221) = ( 0.0375000 0.0375000 0.4447721), wk = 0.0036232 k( 222) = ( 0.0250000 0.0250000 0.4447721), wk = 0.0036232 k( 223) = ( 0.0125000 0.0125000 0.4447721), wk = 0.0036232 k( 224) = ( 0.0000000 0.0000000 0.4447721), wk = 0.0036232 k( 225) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0036232 k( 226) = ( 0.0000000 0.5000000 0.0177909), wk = 0.0036232 k( 227) = ( 0.0000000 0.5000000 0.0355818), wk = 0.0036232 k( 228) = ( 0.0000000 0.5000000 0.0533726), wk = 0.0036232 k( 229) = ( 0.0000000 0.5000000 0.0711635), wk = 0.0036232 k( 230) = ( 0.0000000 0.5000000 0.0889544), wk = 0.0036232 k( 231) = ( 0.0000000 0.5000000 0.1067453), wk = 0.0036232 k( 232) = ( 0.0000000 0.5000000 0.1245362), wk = 0.0036232 k( 233) = ( 0.0000000 0.5000000 0.1423271), wk = 0.0036232 k( 234) = ( 0.0000000 0.5000000 0.1601179), wk = 0.0036232 k( 235) = ( 0.0000000 0.5000000 0.1779088), wk = 0.0036232 k( 236) = ( 0.0000000 0.5000000 0.1956997), wk = 0.0036232 k( 237) = ( 0.0000000 0.5000000 0.2134906), wk = 0.0036232 k( 238) = ( 0.0000000 0.5000000 0.2312815), wk = 0.0036232 k( 239) = ( 0.0000000 0.5000000 0.2490724), wk = 0.0036232 k( 240) = ( 0.0000000 0.5000000 0.2668632), wk = 0.0036232 k( 241) = ( 0.0000000 0.5000000 0.2846541), wk = 0.0036232 k( 242) = ( 0.0000000 0.5000000 0.3024450), wk = 0.0036232 k( 243) = ( 0.0000000 0.5000000 0.3202359), wk = 0.0036232 k( 244) = ( 0.0000000 0.5000000 0.3380268), wk = 0.0036232 k( 245) = ( 0.0000000 0.5000000 0.3558177), wk = 0.0036232 k( 246) = ( 0.0000000 0.5000000 0.3736085), wk = 0.0036232 k( 247) = ( 0.0000000 0.5000000 0.3913994), wk = 0.0036232 k( 248) = ( 0.0000000 0.5000000 0.4091903), wk = 0.0036232 k( 249) = ( 0.0000000 0.5000000 0.4269812), wk = 0.0036232 k( 250) = ( 0.0000000 0.5000000 0.4447721), wk = 0.0036232 k( 251) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0036232 k( 252) = ( 0.5000000 0.5000000 0.0177909), wk = 0.0036232 k( 253) = ( 0.5000000 0.5000000 0.0355818), wk = 0.0036232 k( 254) = ( 0.5000000 0.5000000 0.0533726), wk = 0.0036232 k( 255) = ( 0.5000000 0.5000000 0.0711635), wk = 0.0036232 k( 256) = ( 0.5000000 0.5000000 0.0889544), wk = 0.0036232 k( 257) = ( 0.5000000 0.5000000 0.1067453), wk = 0.0036232 k( 258) = ( 0.5000000 0.5000000 0.1245362), wk = 0.0036232 k( 259) = ( 0.5000000 0.5000000 0.1423271), wk = 0.0036232 k( 260) = ( 0.5000000 0.5000000 0.1601179), wk = 0.0036232 k( 261) = ( 0.5000000 0.5000000 0.1779088), wk = 0.0036232 k( 262) = ( 0.5000000 0.5000000 0.1956997), wk = 0.0036232 k( 263) = ( 0.5000000 0.5000000 0.2134906), wk = 0.0036232 k( 264) = ( 0.5000000 0.5000000 0.2312815), wk = 0.0036232 k( 265) = ( 0.5000000 0.5000000 0.2490724), wk = 0.0036232 k( 266) = ( 0.5000000 0.5000000 0.2668632), wk = 0.0036232 k( 267) = ( 0.5000000 0.5000000 0.2846541), wk = 0.0036232 k( 268) = ( 0.5000000 0.5000000 0.3024450), wk = 0.0036232 k( 269) = ( 0.5000000 0.5000000 0.3202359), wk = 0.0036232 k( 270) = ( 0.5000000 0.5000000 0.3380268), wk = 0.0036232 k( 271) = ( 0.5000000 0.5000000 0.3558177), wk = 0.0036232 k( 272) = ( 0.5000000 0.5000000 0.3736085), wk = 0.0036232 k( 273) = ( 0.5000000 0.5000000 0.3913994), wk = 0.0036232 k( 274) = ( 0.5000000 0.5000000 0.4091903), wk = 0.0036232 k( 275) = ( 0.5000000 0.5000000 0.4269812), wk = 0.0036232 k( 276) = ( 0.5000000 0.5000000 0.4447721), wk = 0.0036232 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036232 k( 2) = ( 0.0000000 0.0178571 -0.0000000), wk = 0.0036232 k( 3) = ( 0.0000000 0.0357143 0.0000000), wk = 0.0036232 k( 4) = ( 0.0000000 0.0535714 0.0000000), wk = 0.0036232 k( 5) = ( 0.0000000 0.0714286 0.0000000), wk = 0.0036232 k( 6) = ( 0.0000000 0.0892857 -0.0000000), wk = 0.0036232 k( 7) = ( 0.0000000 0.1071429 0.0000000), wk = 0.0036232 k( 8) = ( 0.0000000 0.1250000 0.0000000), wk = 0.0036232 k( 9) = ( 0.0000000 0.1428571 0.0000000), wk = 0.0036232 k( 10) = ( 0.0000000 0.1607143 -0.0000000), wk = 0.0036232 k( 11) = ( 0.0000000 0.1785714 0.0000000), wk = 0.0036232 k( 12) = ( 0.0000000 0.1964286 -0.0000000), wk = 0.0036232 k( 13) = ( 0.0000000 0.2142857 0.0000000), wk = 0.0036232 k( 14) = ( 0.0000000 0.2321429 0.0000000), wk = 0.0036232 k( 15) = ( 0.0000000 0.2500000 0.0000000), wk = 0.0036232 k( 16) = ( 0.0000000 0.2678571 0.0000000), wk = 0.0036232 k( 17) = ( 0.0000000 0.2857143 0.0000000), wk = 0.0036232 k( 18) = ( 0.0000000 0.3035714 0.0000000), wk = 0.0036232 k( 19) = ( 0.0000000 0.3214286 0.0000000), wk = 0.0036232 k( 20) = ( 0.0000000 0.3392857 -0.0000000), wk = 0.0036232 k( 21) = ( 0.0000000 0.3571429 0.0000000), wk = 0.0036232 k( 22) = ( 0.0000000 0.3750000 -0.0000000), wk = 0.0036232 k( 23) = ( 0.0000000 0.3928571 -0.0000000), wk = 0.0036232 k( 24) = ( 0.0000000 0.4107143 0.0000000), wk = 0.0036232 k( 25) = ( 0.0000000 0.4285714 0.0000000), wk = 0.0036232 k( 26) = ( 0.0000000 0.4464286 -0.0000000), wk = 0.0036232 k( 27) = ( 0.0000000 0.4642857 -0.0000000), wk = 0.0036232 k( 28) = ( 0.0000000 0.4821429 0.0000000), wk = 0.0036232 k( 29) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0036232 k( 30) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0036232 k( 31) = ( 0.0178571 0.5000000 -0.0000000), wk = 0.0036232 k( 32) = ( 0.0357143 0.5000000 -0.0000000), wk = 0.0036232 k( 33) = ( 0.0535714 0.5000000 0.0000000), wk = 0.0036232 k( 34) = ( 0.0714286 0.5000000 0.0000000), wk = 0.0036232 k( 35) = ( 0.0892857 0.5000000 0.0000000), wk = 0.0036232 k( 36) = ( 0.1071429 0.5000000 -0.0000000), wk = 0.0036232 k( 37) = ( 0.1250000 0.5000000 -0.0000000), wk = 0.0036232 k( 38) = ( 0.1428571 0.5000000 0.0000000), wk = 0.0036232 k( 39) = ( 0.1607143 0.5000000 0.0000000), wk = 0.0036232 k( 40) = ( 0.1785714 0.5000000 -0.0000000), wk = 0.0036232 k( 41) = ( 0.1964286 0.5000000 -0.0000000), wk = 0.0036232 k( 42) = ( 0.2142857 0.5000000 -0.0000000), wk = 0.0036232 k( 43) = ( 0.2321429 0.5000000 0.0000000), wk = 0.0036232 k( 44) = ( 0.2500000 0.5000000 -0.0000000), wk = 0.0036232 k( 45) = ( 0.2678571 0.5000000 0.0000000), wk = 0.0036232 k( 46) = ( 0.2857143 0.5000000 -0.0000000), wk = 0.0036232 k( 47) = ( 0.3035714 0.5000000 -0.0000000), wk = 0.0036232 k( 48) = ( 0.3214286 0.5000000 -0.0000000), wk = 0.0036232 k( 49) = ( 0.3392857 0.5000000 -0.0000000), wk = 0.0036232 k( 50) = ( 0.3571429 0.5000000 -0.0000000), wk = 0.0036232 k( 51) = ( 0.3750000 0.5000000 -0.0000000), wk = 0.0036232 k( 52) = ( 0.3928571 0.5000000 -0.0000000), wk = 0.0036232 k( 53) = ( 0.4107143 0.5000000 -0.0000000), wk = 0.0036232 k( 54) = ( 0.4285714 0.5000000 -0.0000000), wk = 0.0036232 k( 55) = ( 0.4464286 0.5000000 -0.0000000), wk = 0.0036232 k( 56) = ( 0.4642857 0.5000000 -0.0000000), wk = 0.0036232 k( 57) = ( 0.4821429 0.5000000 -0.0000000), wk = 0.0036232 k( 58) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0036232 k( 59) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0036232 k( 60) = ( 0.4875000 0.4875000 -0.0000000), wk = 0.0036232 k( 61) = ( 0.4750000 0.4750000 -0.0000000), wk = 0.0036232 k( 62) = ( 0.4625000 0.4625000 0.0000000), wk = 0.0036232 k( 63) = ( 0.4500000 0.4500000 -0.0000000), wk = 0.0036232 k( 64) = ( 0.4375000 0.4375000 0.0000000), wk = 0.0036232 k( 65) = ( 0.4250000 0.4250000 -0.0000000), wk = 0.0036232 k( 66) = ( 0.4125000 0.4125000 -0.0000000), wk = 0.0036232 k( 67) = ( 0.4000000 0.4000000 -0.0000000), wk = 0.0036232 k( 68) = ( 0.3875000 0.3875000 -0.0000000), wk = 0.0036232 k( 69) = ( 0.3750000 0.3750000 -0.0000000), wk = 0.0036232 k( 70) = ( 0.3625000 0.3625000 -0.0000000), wk = 0.0036232 k( 71) = ( 0.3500000 0.3500000 0.0000000), wk = 0.0036232 k( 72) = ( 0.3375000 0.3375000 -0.0000000), wk = 0.0036232 k( 73) = ( 0.3250000 0.3250000 0.0000000), wk = 0.0036232 k( 74) = ( 0.3125000 0.3125000 -0.0000000), wk = 0.0036232 k( 75) = ( 0.3000000 0.3000000 -0.0000000), wk = 0.0036232 k( 76) = ( 0.2875000 0.2875000 -0.0000000), wk = 0.0036232 k( 77) = ( 0.2750000 0.2750000 -0.0000000), wk = 0.0036232 k( 78) = ( 0.2625000 0.2625000 0.0000000), wk = 0.0036232 k( 79) = ( 0.2500000 0.2500000 -0.0000000), wk = 0.0036232 k( 80) = ( 0.2375000 0.2375000 -0.0000000), wk = 0.0036232 k( 81) = ( 0.2250000 0.2250000 -0.0000000), wk = 0.0036232 k( 82) = ( 0.2125000 0.2125000 -0.0000000), wk = 0.0036232 k( 83) = ( 0.2000000 0.2000000 -0.0000000), wk = 0.0036232 k( 84) = ( 0.1875000 0.1875000 -0.0000000), wk = 0.0036232 k( 85) = ( 0.1750000 0.1750000 0.0000000), wk = 0.0036232 k( 86) = ( 0.1625000 0.1625000 0.0000000), wk = 0.0036232 k( 87) = ( 0.1500000 0.1500000 -0.0000000), wk = 0.0036232 k( 88) = ( 0.1375000 0.1375000 -0.0000000), wk = 0.0036232 k( 89) = ( 0.1250000 0.1250000 -0.0000000), wk = 0.0036232 k( 90) = ( 0.1125000 0.1125000 -0.0000000), wk = 0.0036232 k( 91) = ( 0.1000000 0.1000000 -0.0000000), wk = 0.0036232 k( 92) = ( 0.0875000 0.0875000 0.0000000), wk = 0.0036232 k( 93) = ( 0.0750000 0.0750000 -0.0000000), wk = 0.0036232 k( 94) = ( 0.0625000 0.0625000 -0.0000000), wk = 0.0036232 k( 95) = ( 0.0500000 0.0500000 -0.0000000), wk = 0.0036232 k( 96) = ( 0.0375000 0.0375000 -0.0000000), wk = 0.0036232 k( 97) = ( 0.0250000 0.0250000 -0.0000000), wk = 0.0036232 k( 98) = ( 0.0125000 0.0125000 -0.0000000), wk = 0.0036232 k( 99) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036232 k( 100) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036232 k( 101) = ( 0.0000000 0.0000000 0.0200000), wk = 0.0036232 k( 102) = ( 0.0000000 0.0000000 0.0400000), wk = 0.0036232 k( 103) = ( 0.0000000 0.0000000 0.0600000), wk = 0.0036232 k( 104) = ( 0.0000000 0.0000000 0.0800000), wk = 0.0036232 k( 105) = ( 0.0000000 0.0000000 0.1000000), wk = 0.0036232 k( 106) = ( 0.0000000 0.0000000 0.1200000), wk = 0.0036232 k( 107) = ( 0.0000000 0.0000000 0.1400000), wk = 0.0036232 k( 108) = ( 0.0000000 0.0000000 0.1600000), wk = 0.0036232 k( 109) = ( 0.0000000 0.0000000 0.1800000), wk = 0.0036232 k( 110) = ( 0.0000000 0.0000000 0.2000000), wk = 0.0036232 k( 111) = ( 0.0000000 0.0000000 0.2200000), wk = 0.0036232 k( 112) = ( 0.0000000 0.0000000 0.2400000), wk = 0.0036232 k( 113) = ( 0.0000000 0.0000000 0.2600000), wk = 0.0036232 k( 114) = ( 0.0000000 0.0000000 0.2800000), wk = 0.0036232 k( 115) = ( 0.0000000 0.0000000 0.3000000), wk = 0.0036232 k( 116) = ( 0.0000000 0.0000000 0.3200000), wk = 0.0036232 k( 117) = ( 0.0000000 0.0000000 0.3400000), wk = 0.0036232 k( 118) = ( 0.0000000 0.0000000 0.3600000), wk = 0.0036232 k( 119) = ( 0.0000000 0.0000000 0.3800000), wk = 0.0036232 k( 120) = ( 0.0000000 0.0000000 0.4000000), wk = 0.0036232 k( 121) = ( 0.0000000 0.0000000 0.4200000), wk = 0.0036232 k( 122) = ( 0.0000000 0.0000000 0.4400000), wk = 0.0036232 k( 123) = ( 0.0000000 0.0000000 0.4600000), wk = 0.0036232 k( 124) = ( 0.0000000 0.0000000 0.4800000), wk = 0.0036232 k( 125) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0036232 k( 126) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0036232 k( 127) = ( 0.0000000 0.0178571 0.5000000), wk = 0.0036232 k( 128) = ( 0.0000000 0.0357143 0.5000000), wk = 0.0036232 k( 129) = ( 0.0000000 0.0535714 0.5000000), wk = 0.0036232 k( 130) = ( 0.0000000 0.0714286 0.5000000), wk = 0.0036232 k( 131) = ( 0.0000000 0.0892857 0.5000000), wk = 0.0036232 k( 132) = ( 0.0000000 0.1071429 0.5000000), wk = 0.0036232 k( 133) = ( 0.0000000 0.1250000 0.5000000), wk = 0.0036232 k( 134) = ( 0.0000000 0.1428571 0.5000000), wk = 0.0036232 k( 135) = ( 0.0000000 0.1607143 0.5000000), wk = 0.0036232 k( 136) = ( 0.0000000 0.1785714 0.5000000), wk = 0.0036232 k( 137) = ( 0.0000000 0.1964286 0.5000000), wk = 0.0036232 k( 138) = ( 0.0000000 0.2142857 0.5000000), wk = 0.0036232 k( 139) = ( 0.0000000 0.2321429 0.5000000), wk = 0.0036232 k( 140) = ( 0.0000000 0.2500000 0.5000000), wk = 0.0036232 k( 141) = ( 0.0000000 0.2678571 0.5000000), wk = 0.0036232 k( 142) = ( 0.0000000 0.2857143 0.5000000), wk = 0.0036232 k( 143) = ( 0.0000000 0.3035714 0.5000000), wk = 0.0036232 k( 144) = ( 0.0000000 0.3214286 0.5000000), wk = 0.0036232 k( 145) = ( 0.0000000 0.3392857 0.5000000), wk = 0.0036232 k( 146) = ( 0.0000000 0.3571429 0.5000000), wk = 0.0036232 k( 147) = ( 0.0000000 0.3750000 0.5000000), wk = 0.0036232 k( 148) = ( 0.0000000 0.3928571 0.5000000), wk = 0.0036232 k( 149) = ( 0.0000000 0.4107143 0.5000000), wk = 0.0036232 k( 150) = ( 0.0000000 0.4285714 0.5000000), wk = 0.0036232 k( 151) = ( 0.0000000 0.4464286 0.5000000), wk = 0.0036232 k( 152) = ( 0.0000000 0.4642857 0.5000000), wk = 0.0036232 k( 153) = ( 0.0000000 0.4821429 0.5000000), wk = 0.0036232 k( 154) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0036232 k( 155) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0036232 k( 156) = ( 0.0178571 0.5000000 0.5000000), wk = 0.0036232 k( 157) = ( 0.0357143 0.5000000 0.5000000), wk = 0.0036232 k( 158) = ( 0.0535714 0.5000000 0.5000000), wk = 0.0036232 k( 159) = ( 0.0714286 0.5000000 0.5000000), wk = 0.0036232 k( 160) = ( 0.0892857 0.5000000 0.5000000), wk = 0.0036232 k( 161) = ( 0.1071429 0.5000000 0.5000000), wk = 0.0036232 k( 162) = ( 0.1250000 0.5000000 0.5000000), wk = 0.0036232 k( 163) = ( 0.1428571 0.5000000 0.5000000), wk = 0.0036232 k( 164) = ( 0.1607143 0.5000000 0.5000000), wk = 0.0036232 k( 165) = ( 0.1785714 0.5000000 0.5000000), wk = 0.0036232 k( 166) = ( 0.1964286 0.5000000 0.5000000), wk = 0.0036232 k( 167) = ( 0.2142857 0.5000000 0.5000000), wk = 0.0036232 k( 168) = ( 0.2321429 0.5000000 0.5000000), wk = 0.0036232 k( 169) = ( 0.2500000 0.5000000 0.5000000), wk = 0.0036232 k( 170) = ( 0.2678571 0.5000000 0.5000000), wk = 0.0036232 k( 171) = ( 0.2857143 0.5000000 0.5000000), wk = 0.0036232 k( 172) = ( 0.3035714 0.5000000 0.5000000), wk = 0.0036232 k( 173) = ( 0.3214286 0.5000000 0.5000000), wk = 0.0036232 k( 174) = ( 0.3392857 0.5000000 0.5000000), wk = 0.0036232 k( 175) = ( 0.3571429 0.5000000 0.5000000), wk = 0.0036232 k( 176) = ( 0.3750000 0.5000000 0.5000000), wk = 0.0036232 k( 177) = ( 0.3928571 0.5000000 0.5000000), wk = 0.0036232 k( 178) = ( 0.4107143 0.5000000 0.5000000), wk = 0.0036232 k( 179) = ( 0.4285714 0.5000000 0.5000000), wk = 0.0036232 k( 180) = ( 0.4464286 0.5000000 0.5000000), wk = 0.0036232 k( 181) = ( 0.4642857 0.5000000 0.5000000), wk = 0.0036232 k( 182) = ( 0.4821429 0.5000000 0.5000000), wk = 0.0036232 k( 183) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0036232 k( 184) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0036232 k( 185) = ( 0.4875000 0.4875000 0.5000000), wk = 0.0036232 k( 186) = ( 0.4750000 0.4750000 0.5000000), wk = 0.0036232 k( 187) = ( 0.4625000 0.4625000 0.5000000), wk = 0.0036232 k( 188) = ( 0.4500000 0.4500000 0.5000000), wk = 0.0036232 k( 189) = ( 0.4375000 0.4375000 0.5000000), wk = 0.0036232 k( 190) = ( 0.4250000 0.4250000 0.5000000), wk = 0.0036232 k( 191) = ( 0.4125000 0.4125000 0.5000000), wk = 0.0036232 k( 192) = ( 0.4000000 0.4000000 0.5000000), wk = 0.0036232 k( 193) = ( 0.3875000 0.3875000 0.5000000), wk = 0.0036232 k( 194) = ( 0.3750000 0.3750000 0.5000000), wk = 0.0036232 k( 195) = ( 0.3625000 0.3625000 0.5000000), wk = 0.0036232 k( 196) = ( 0.3500000 0.3500000 0.5000000), wk = 0.0036232 k( 197) = ( 0.3375000 0.3375000 0.5000000), wk = 0.0036232 k( 198) = ( 0.3250000 0.3250000 0.5000000), wk = 0.0036232 k( 199) = ( 0.3125000 0.3125000 0.5000000), wk = 0.0036232 k( 200) = ( 0.3000000 0.3000000 0.5000000), wk = 0.0036232 k( 201) = ( 0.2875000 0.2875000 0.5000000), wk = 0.0036232 k( 202) = ( 0.2750000 0.2750000 0.5000000), wk = 0.0036232 k( 203) = ( 0.2625000 0.2625000 0.5000000), wk = 0.0036232 k( 204) = ( 0.2500000 0.2500000 0.5000000), wk = 0.0036232 k( 205) = ( 0.2375000 0.2375000 0.5000000), wk = 0.0036232 k( 206) = ( 0.2250000 0.2250000 0.5000000), wk = 0.0036232 k( 207) = ( 0.2125000 0.2125000 0.5000000), wk = 0.0036232 k( 208) = ( 0.2000000 0.2000000 0.5000000), wk = 0.0036232 k( 209) = ( 0.1875000 0.1875000 0.5000000), wk = 0.0036232 k( 210) = ( 0.1750000 0.1750000 0.5000000), wk = 0.0036232 k( 211) = ( 0.1625000 0.1625000 0.5000000), wk = 0.0036232 k( 212) = ( 0.1500000 0.1500000 0.5000000), wk = 0.0036232 k( 213) = ( 0.1375000 0.1375000 0.5000000), wk = 0.0036232 k( 214) = ( 0.1250000 0.1250000 0.5000000), wk = 0.0036232 k( 215) = ( 0.1125000 0.1125000 0.5000000), wk = 0.0036232 k( 216) = ( 0.1000000 0.1000000 0.5000000), wk = 0.0036232 k( 217) = ( 0.0875000 0.0875000 0.5000000), wk = 0.0036232 k( 218) = ( 0.0750000 0.0750000 0.5000000), wk = 0.0036232 k( 219) = ( 0.0625000 0.0625000 0.5000000), wk = 0.0036232 k( 220) = ( 0.0500000 0.0500000 0.5000000), wk = 0.0036232 k( 221) = ( 0.0375000 0.0375000 0.5000000), wk = 0.0036232 k( 222) = ( 0.0250000 0.0250000 0.5000000), wk = 0.0036232 k( 223) = ( 0.0125000 0.0125000 0.5000000), wk = 0.0036232 k( 224) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0036232 k( 225) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0036232 k( 226) = ( 0.0000000 0.5000000 0.0200000), wk = 0.0036232 k( 227) = ( 0.0000000 0.5000000 0.0400000), wk = 0.0036232 k( 228) = ( 0.0000000 0.5000000 0.0600000), wk = 0.0036232 k( 229) = ( 0.0000000 0.5000000 0.0800000), wk = 0.0036232 k( 230) = ( 0.0000000 0.5000000 0.1000000), wk = 0.0036232 k( 231) = ( 0.0000000 0.5000000 0.1200000), wk = 0.0036232 k( 232) = ( 0.0000000 0.5000000 0.1400000), wk = 0.0036232 k( 233) = ( 0.0000000 0.5000000 0.1600000), wk = 0.0036232 k( 234) = ( 0.0000000 0.5000000 0.1800000), wk = 0.0036232 k( 235) = ( 0.0000000 0.5000000 0.2000000), wk = 0.0036232 k( 236) = ( 0.0000000 0.5000000 0.2200000), wk = 0.0036232 k( 237) = ( 0.0000000 0.5000000 0.2400000), wk = 0.0036232 k( 238) = ( 0.0000000 0.5000000 0.2600000), wk = 0.0036232 k( 239) = ( 0.0000000 0.5000000 0.2800000), wk = 0.0036232 k( 240) = ( 0.0000000 0.5000000 0.3000000), wk = 0.0036232 k( 241) = ( 0.0000000 0.5000000 0.3200000), wk = 0.0036232 k( 242) = ( 0.0000000 0.5000000 0.3400000), wk = 0.0036232 k( 243) = ( 0.0000000 0.5000000 0.3600000), wk = 0.0036232 k( 244) = ( 0.0000000 0.5000000 0.3800000), wk = 0.0036232 k( 245) = ( 0.0000000 0.5000000 0.4000000), wk = 0.0036232 k( 246) = ( 0.0000000 0.5000000 0.4200000), wk = 0.0036232 k( 247) = ( 0.0000000 0.5000000 0.4400000), wk = 0.0036232 k( 248) = ( 0.0000000 0.5000000 0.4600000), wk = 0.0036232 k( 249) = ( 0.0000000 0.5000000 0.4800000), wk = 0.0036232 k( 250) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0036232 k( 251) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0036232 k( 252) = ( 0.5000000 0.5000000 0.0200000), wk = 0.0036232 k( 253) = ( 0.5000000 0.5000000 0.0400000), wk = 0.0036232 k( 254) = ( 0.5000000 0.5000000 0.0600000), wk = 0.0036232 k( 255) = ( 0.5000000 0.5000000 0.0800000), wk = 0.0036232 k( 256) = ( 0.5000000 0.5000000 0.1000000), wk = 0.0036232 k( 257) = ( 0.5000000 0.5000000 0.1200000), wk = 0.0036232 k( 258) = ( 0.5000000 0.5000000 0.1400000), wk = 0.0036232 k( 259) = ( 0.5000000 0.5000000 0.1600000), wk = 0.0036232 k( 260) = ( 0.5000000 0.5000000 0.1800000), wk = 0.0036232 k( 261) = ( 0.5000000 0.5000000 0.2000000), wk = 0.0036232 k( 262) = ( 0.5000000 0.5000000 0.2200000), wk = 0.0036232 k( 263) = ( 0.5000000 0.5000000 0.2400000), wk = 0.0036232 k( 264) = ( 0.5000000 0.5000000 0.2600000), wk = 0.0036232 k( 265) = ( 0.5000000 0.5000000 0.2800000), wk = 0.0036232 k( 266) = ( 0.5000000 0.5000000 0.3000000), wk = 0.0036232 k( 267) = ( 0.5000000 0.5000000 0.3200000), wk = 0.0036232 k( 268) = ( 0.5000000 0.5000000 0.3400000), wk = 0.0036232 k( 269) = ( 0.5000000 0.5000000 0.3600000), wk = 0.0036232 k( 270) = ( 0.5000000 0.5000000 0.3800000), wk = 0.0036232 k( 271) = ( 0.5000000 0.5000000 0.4000000), wk = 0.0036232 k( 272) = ( 0.5000000 0.5000000 0.4200000), wk = 0.0036232 k( 273) = ( 0.5000000 0.5000000 0.4400000), wk = 0.0036232 k( 274) = ( 0.5000000 0.5000000 0.4600000), wk = 0.0036232 k( 275) = ( 0.5000000 0.5000000 0.4800000), wk = 0.0036232 k( 276) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0036232 Dense grid: 369305 G-vectors FFT dimensions: ( 90, 90, 100) Smooth grid: 56963 G-vectors FFT dimensions: ( 45, 45, 54) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.39 Mb ( 416, 62) NL pseudopotentials 0.50 Mb ( 208, 156) Each V/rho on FFT grid 0.37 Mb ( 24300) Each G-vector array 0.08 Mb ( 10260) G-vector shells 0.04 Mb ( 4593) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.57 Mb ( 416, 248) Each subspace H/S matrix 0.06 Mb ( 62, 62) Each matrix 0.30 Mb ( 156, 2, 62) The potential is recalculated from file : ./CdxBH4x2.save/charge-density.dat Starting wfc are 100 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 4.0 secs Computing kpt #: 2 total cpu time spent up to now is 5.4 secs Computing kpt #: 3 total cpu time spent up to now is 6.7 secs Computing kpt #: 4 total cpu time spent up to now is 8.0 secs Computing kpt #: 5 total cpu time spent up to now is 9.1 secs Computing kpt #: 6 total cpu time spent up to now is 10.3 secs Computing kpt #: 7 total cpu time spent up to now is 11.4 secs Computing kpt #: 8 total cpu time spent up to now is 12.6 secs Computing kpt #: 9 total cpu time spent up to now is 13.9 secs Computing kpt #: 10 total cpu time spent up to now is 15.2 secs Computing kpt #: 11 total cpu time spent up to now is 16.4 secs Computing kpt #: 12 total cpu time spent up to now is 17.7 secs Computing kpt #: 13 total cpu time spent up to now is 19.0 secs Computing kpt #: 14 total cpu time spent up to now is 20.2 secs Computing kpt #: 15 total cpu time spent up to now is 21.5 secs Computing kpt #: 16 total cpu time spent up to now is 22.8 secs Computing kpt #: 17 total cpu time spent up to now is 24.2 secs Computing kpt #: 18 total cpu time spent up to now is 25.7 secs Computing kpt #: 19 total cpu time spent up to now is 27.4 secs Computing kpt #: 20 total cpu time spent up to now is 29.3 secs Computing kpt #: 21 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 31.7 secs Computing kpt #: 22 total cpu time spent up to now is 33.3 secs Computing kpt #: 23 total cpu time spent up to now is 34.5 secs Computing kpt #: 24 total cpu time spent up to now is 35.5 secs Computing kpt #: 25 total cpu time spent up to now is 36.6 secs Computing kpt #: 26 total cpu time spent up to now is 37.7 secs Computing kpt #: 27 total cpu time spent up to now is 39.0 secs Computing kpt #: 28 total cpu time spent up to now is 40.3 secs Computing kpt #: 29 total cpu time spent up to now is 42.2 secs Computing kpt #: 30 total cpu time spent up to now is 44.2 secs Computing kpt #: 31 total cpu time spent up to now is 46.1 secs Computing kpt #: 32 total cpu time spent up to now is 48.1 secs Computing kpt #: 33 total cpu time spent up to now is 49.9 secs Computing kpt #: 34 total cpu time spent up to now is 51.8 secs Computing kpt #: 35 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 54.1 secs Computing kpt #: 36 total cpu time spent up to now is 56.0 secs Computing kpt #: 37 total cpu time spent up to now is 57.6 secs Computing kpt #: 38 total cpu time spent up to now is 59.3 secs Computing kpt #: 39 total cpu time spent up to now is 61.0 secs Computing kpt #: 40 total cpu time spent up to now is 62.7 secs Computing kpt #: 41 total cpu time spent up to now is 64.0 secs Computing kpt #: 42 total cpu time spent up to now is 65.7 secs Computing kpt #: 43 total cpu time spent up to now is 67.2 secs Computing kpt #: 44 total cpu time spent up to now is 68.6 secs Computing kpt #: 45 total cpu time spent up to now is 69.9 secs Computing kpt #: 46 total cpu time spent up to now is 71.3 secs Computing kpt #: 47 total cpu time spent up to now is 72.6 secs Computing kpt #: 48 total cpu time spent up to now is 73.9 secs Computing kpt #: 49 total cpu time spent up to now is 75.2 secs Computing kpt #: 50 total cpu time spent up to now is 76.6 secs Computing kpt #: 51 total cpu time spent up to now is 77.9 secs Computing kpt #: 52 total cpu time spent up to now is 79.3 secs Computing kpt #: 53 total cpu time spent up to now is 81.0 secs Computing kpt #: 54 total cpu time spent up to now is 82.2 secs Computing kpt #: 55 total cpu time spent up to now is 83.5 secs Computing kpt #: 56 total cpu time spent up to now is 84.9 secs Computing kpt #: 57 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 87.3 secs Computing kpt #: 58 total cpu time spent up to now is 88.3 secs Computing kpt #: 59 total cpu time spent up to now is 89.3 secs Computing kpt #: 60 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 91.7 secs Computing kpt #: 61 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 94.2 secs Computing kpt #: 62 total cpu time spent up to now is 95.6 secs Computing kpt #: 63 total cpu time spent up to now is 96.9 secs Computing kpt #: 64 total cpu time spent up to now is 98.2 secs Computing kpt #: 65 total cpu time spent up to now is 99.4 secs Computing kpt #: 66 total cpu time spent up to now is 100.6 secs Computing kpt #: 67 total cpu time spent up to now is 101.8 secs Computing kpt #: 68 total cpu time spent up to now is 102.9 secs Computing kpt #: 69 total cpu time spent up to now is 104.1 secs Computing kpt #: 70 total cpu time spent up to now is 105.2 secs Computing kpt #: 71 total cpu time spent up to now is 106.7 secs Computing kpt #: 72 total cpu time spent up to now is 107.9 secs Computing kpt #: 73 total cpu time spent up to now is 109.1 secs Computing kpt #: 74 total cpu time spent up to now is 110.3 secs Computing kpt #: 75 total cpu time spent up to now is 111.4 secs Computing kpt #: 76 total cpu time spent up to now is 112.5 secs Computing kpt #: 77 total cpu time spent up to now is 113.6 secs Computing kpt #: 78 total cpu time spent up to now is 114.8 secs Computing kpt #: 79 total cpu time spent up to now is 115.9 secs Computing kpt #: 80 total cpu time spent up to now is 116.9 secs Computing kpt #: 81 total cpu time spent up to now is 117.9 secs Computing kpt #: 82 total cpu time spent up to now is 119.0 secs Computing kpt #: 83 total cpu time spent up to now is 120.0 secs Computing kpt #: 84 total cpu time spent up to now is 121.1 secs Computing kpt #: 85 total cpu time spent up to now is 122.1 secs Computing kpt #: 86 total cpu time spent up to now is 123.1 secs Computing kpt #: 87 total cpu time spent up to now is 124.1 secs Computing kpt #: 88 total cpu time spent up to now is 125.1 secs Computing kpt #: 89 total cpu time spent up to now is 126.2 secs Computing kpt #: 90 total cpu time spent up to now is 127.2 secs Computing kpt #: 91 total cpu time spent up to now is 128.2 secs Computing kpt #: 92 total cpu time spent up to now is 129.2 secs Computing kpt #: 93 total cpu time spent up to now is 130.2 secs Computing kpt #: 94 total cpu time spent up to now is 131.2 secs Computing kpt #: 95 total cpu time spent up to now is 132.3 secs Computing kpt #: 96 total cpu time spent up to now is 133.5 secs Computing kpt #: 97 total cpu time spent up to now is 134.7 secs Computing kpt #: 98 total cpu time spent up to now is 136.0 secs Computing kpt #: 99 total cpu time spent up to now is 137.3 secs Computing kpt #: 100 total cpu time spent up to now is 138.5 secs Computing kpt #: 101 total cpu time spent up to now is 139.8 secs Computing kpt #: 102 total cpu time spent up to now is 141.2 secs Computing kpt #: 103 total cpu time spent up to now is 142.4 secs Computing kpt #: 104 total cpu time spent up to now is 143.7 secs Computing kpt #: 105 total cpu time spent up to now is 145.0 secs Computing kpt #: 106 total cpu time spent up to now is 146.3 secs Computing kpt #: 107 total cpu time spent up to now is 147.6 secs Computing kpt #: 108 total cpu time spent up to now is 148.9 secs Computing kpt #: 109 total cpu time spent up to now is 150.1 secs Computing kpt #: 110 total cpu time spent up to now is 151.2 secs Computing kpt #: 111 total cpu time spent up to now is 152.5 secs Computing kpt #: 112 total cpu time spent up to now is 153.8 secs Computing kpt #: 113 total cpu time spent up to now is 155.0 secs Computing kpt #: 114 total cpu time spent up to now is 156.3 secs Computing kpt #: 115 total cpu time spent up to now is 157.3 secs Computing kpt #: 116 total cpu time spent up to now is 158.3 secs Computing kpt #: 117 total cpu time spent up to now is 159.3 secs Computing kpt #: 118 total cpu time spent up to now is 160.2 secs Computing kpt #: 119 total cpu time spent up to now is 161.2 secs Computing kpt #: 120 total cpu time spent up to now is 162.2 secs Computing kpt #: 121 total cpu time spent up to now is 163.1 secs Computing kpt #: 122 total cpu time spent up to now is 164.1 secs Computing kpt #: 123 total cpu time spent up to now is 165.2 secs Computing kpt #: 124 total cpu time spent up to now is 166.2 secs Computing kpt #: 125 total cpu time spent up to now is 167.0 secs Computing kpt #: 126 total cpu time spent up to now is 168.0 secs Computing kpt #: 127 total cpu time spent up to now is 169.1 secs Computing kpt #: 128 total cpu time spent up to now is 170.3 secs Computing kpt #: 129 total cpu time spent up to now is 171.4 secs Computing kpt #: 130 total cpu time spent up to now is 172.4 secs Computing kpt #: 131 total cpu time spent up to now is 173.5 secs Computing kpt #: 132 total cpu time spent up to now is 174.7 secs Computing kpt #: 133 total cpu time spent up to now is 175.8 secs Computing kpt #: 134 total cpu time spent up to now is 176.8 secs Computing kpt #: 135 total cpu time spent up to now is 177.9 secs Computing kpt #: 136 total cpu time spent up to now is 179.1 secs Computing kpt #: 137 total cpu time spent up to now is 180.3 secs Computing kpt #: 138 total cpu time spent up to now is 181.3 secs Computing kpt #: 139 total cpu time spent up to now is 182.4 secs Computing kpt #: 140 total cpu time spent up to now is 183.5 secs Computing kpt #: 141 total cpu time spent up to now is 184.7 secs Computing kpt #: 142 total cpu time spent up to now is 185.8 secs Computing kpt #: 143 total cpu time spent up to now is 186.9 secs Computing kpt #: 144 total cpu time spent up to now is 188.1 secs Computing kpt #: 145 total cpu time spent up to now is 189.2 secs Computing kpt #: 146 total cpu time spent up to now is 190.2 secs Computing kpt #: 147 total cpu time spent up to now is 191.3 secs Computing kpt #: 148 total cpu time spent up to now is 192.4 secs Computing kpt #: 149 total cpu time spent up to now is 193.5 secs Computing kpt #: 150 total cpu time spent up to now is 194.6 secs Computing kpt #: 151 total cpu time spent up to now is 195.7 secs Computing kpt #: 152 total cpu time spent up to now is 196.8 secs Computing kpt #: 153 total cpu time spent up to now is 197.9 secs Computing kpt #: 154 total cpu time spent up to now is 198.9 secs Computing kpt #: 155 total cpu time spent up to now is 199.9 secs Computing kpt #: 156 total cpu time spent up to now is 201.1 secs Computing kpt #: 157 total cpu time spent up to now is 202.3 secs Computing kpt #: 158 total cpu time spent up to now is 203.4 secs Computing kpt #: 159 total cpu time spent up to now is 204.5 secs Computing kpt #: 160 total cpu time spent up to now is 205.6 secs Computing kpt #: 161 total cpu time spent up to now is 206.7 secs Computing kpt #: 162 total cpu time spent up to now is 207.8 secs Computing kpt #: 163 total cpu time spent up to now is 209.1 secs Computing kpt #: 164 total cpu time spent up to now is 210.5 secs Computing kpt #: 165 total cpu time spent up to now is 212.4 secs Computing kpt #: 166 total cpu time spent up to now is 214.3 secs Computing kpt #: 167 total cpu time spent up to now is 215.7 secs Computing kpt #: 168 total cpu time spent up to now is 216.9 secs Computing kpt #: 169 total cpu time spent up to now is 217.9 secs Computing kpt #: 170 total cpu time spent up to now is 218.9 secs Computing kpt #: 171 total cpu time spent up to now is 219.9 secs Computing kpt #: 172 total cpu time spent up to now is 220.9 secs Computing kpt #: 173 total cpu time spent up to now is 221.9 secs Computing kpt #: 174 total cpu time spent up to now is 222.7 secs Computing kpt #: 175 total cpu time spent up to now is 223.6 secs Computing kpt #: 176 total cpu time spent up to now is 224.5 secs Computing kpt #: 177 total cpu time spent up to now is 225.3 secs Computing kpt #: 178 total cpu time spent up to now is 226.1 secs Computing kpt #: 179 total cpu time spent up to now is 226.8 secs Computing kpt #: 180 total cpu time spent up to now is 227.6 secs Computing kpt #: 181 total cpu time spent up to now is 228.4 secs Computing kpt #: 182 total cpu time spent up to now is 229.2 secs Computing kpt #: 183 total cpu time spent up to now is 230.0 secs Computing kpt #: 184 total cpu time spent up to now is 230.8 secs Computing kpt #: 185 total cpu time spent up to now is 231.6 secs Computing kpt #: 186 total cpu time spent up to now is 232.4 secs Computing kpt #: 187 total cpu time spent up to now is 233.2 secs Computing kpt #: 188 total cpu time spent up to now is 234.0 secs Computing kpt #: 189 total cpu time spent up to now is 234.8 secs Computing kpt #: 190 total cpu time spent up to now is 235.6 secs Computing kpt #: 191 total cpu time spent up to now is 236.4 secs Computing kpt #: 192 total cpu time spent up to now is 237.3 secs Computing kpt #: 193 total cpu time spent up to now is 238.2 secs Computing kpt #: 194 total cpu time spent up to now is 239.2 secs Computing kpt #: 195 total cpu time spent up to now is 240.2 secs Computing kpt #: 196 total cpu time spent up to now is 241.2 secs Computing kpt #: 197 total cpu time spent up to now is 242.1 secs Computing kpt #: 198 total cpu time spent up to now is 243.1 secs Computing kpt #: 199 total cpu time spent up to now is 244.1 secs Computing kpt #: 200 total cpu time spent up to now is 245.1 secs Computing kpt #: 201 total cpu time spent up to now is 246.1 secs Computing kpt #: 202 total cpu time spent up to now is 247.2 secs Computing kpt #: 203 total cpu time spent up to now is 248.2 secs Computing kpt #: 204 total cpu time spent up to now is 249.2 secs Computing kpt #: 205 total cpu time spent up to now is 250.2 secs Computing kpt #: 206 total cpu time spent up to now is 251.2 secs Computing kpt #: 207 total cpu time spent up to now is 252.3 secs Computing kpt #: 208 total cpu time spent up to now is 253.3 secs Computing kpt #: 209 total cpu time spent up to now is 254.3 secs Computing kpt #: 210 total cpu time spent up to now is 255.3 secs Computing kpt #: 211 total cpu time spent up to now is 256.4 secs Computing kpt #: 212 total cpu time spent up to now is 257.4 secs Computing kpt #: 213 total cpu time spent up to now is 258.4 secs Computing kpt #: 214 total cpu time spent up to now is 259.4 secs Computing kpt #: 215 total cpu time spent up to now is 260.5 secs Computing kpt #: 216 total cpu time spent up to now is 261.5 secs Computing kpt #: 217 total cpu time spent up to now is 262.5 secs Computing kpt #: 218 total cpu time spent up to now is 263.5 secs Computing kpt #: 219 total cpu time spent up to now is 264.5 secs Computing kpt #: 220 total cpu time spent up to now is 265.6 secs Computing kpt #: 221 total cpu time spent up to now is 266.7 secs Computing kpt #: 222 total cpu time spent up to now is 267.8 secs Computing kpt #: 223 total cpu time spent up to now is 268.9 secs Computing kpt #: 224 total cpu time spent up to now is 269.9 secs Computing kpt #: 225 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 272.2 secs Computing kpt #: 226 total cpu time spent up to now is 274.2 secs Computing kpt #: 227 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 276.7 secs Computing kpt #: 228 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 279.1 secs Computing kpt #: 229 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 281.6 secs Computing kpt #: 230 total cpu time spent up to now is 283.5 secs Computing kpt #: 231 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 286.1 secs Computing kpt #: 232 total cpu time spent up to now is 288.0 secs Computing kpt #: 233 total cpu time spent up to now is 289.3 secs Computing kpt #: 234 total cpu time spent up to now is 291.3 secs Computing kpt #: 235 total cpu time spent up to now is 292.7 secs Computing kpt #: 236 total cpu time spent up to now is 293.8 secs Computing kpt #: 237 total cpu time spent up to now is 294.9 secs Computing kpt #: 238 total cpu time spent up to now is 296.1 secs Computing kpt #: 239 total cpu time spent up to now is 297.4 secs Computing kpt #: 240 total cpu time spent up to now is 298.5 secs Computing kpt #: 241 total cpu time spent up to now is 299.6 secs Computing kpt #: 242 total cpu time spent up to now is 300.8 secs Computing kpt #: 243 total cpu time spent up to now is 302.1 secs Computing kpt #: 244 total cpu time spent up to now is 303.3 secs Computing kpt #: 245 total cpu time spent up to now is 304.5 secs Computing kpt #: 246 total cpu time spent up to now is 305.7 secs Computing kpt #: 247 total cpu time spent up to now is 306.7 secs Computing kpt #: 248 total cpu time spent up to now is 307.9 secs Computing kpt #: 249 total cpu time spent up to now is 308.9 secs Computing kpt #: 250 total cpu time spent up to now is 309.9 secs Computing kpt #: 251 total cpu time spent up to now is 311.0 secs Computing kpt #: 252 total cpu time spent up to now is 312.7 secs Computing kpt #: 253 total cpu time spent up to now is 313.9 secs Computing kpt #: 254 total cpu time spent up to now is 314.9 secs Computing kpt #: 255 total cpu time spent up to now is 315.8 secs Computing kpt #: 256 total cpu time spent up to now is 317.8 secs Computing kpt #: 257 total cpu time spent up to now is 318.8 secs Computing kpt #: 258 total cpu time spent up to now is 319.7 secs Computing kpt #: 259 total cpu time spent up to now is 320.6 secs Computing kpt #: 260 total cpu time spent up to now is 321.5 secs Computing kpt #: 261 total cpu time spent up to now is 322.4 secs Computing kpt #: 262 total cpu time spent up to now is 323.2 secs Computing kpt #: 263 total cpu time spent up to now is 324.1 secs Computing kpt #: 264 total cpu time spent up to now is 324.9 secs Computing kpt #: 265 total cpu time spent up to now is 325.8 secs Computing kpt #: 266 total cpu time spent up to now is 326.6 secs Computing kpt #: 267 total cpu time spent up to now is 327.4 secs Computing kpt #: 268 total cpu time spent up to now is 328.2 secs Computing kpt #: 269 total cpu time spent up to now is 329.0 secs Computing kpt #: 270 total cpu time spent up to now is 329.8 secs Computing kpt #: 271 total cpu time spent up to now is 330.6 secs Computing kpt #: 272 total cpu time spent up to now is 331.4 secs Computing kpt #: 273 total cpu time spent up to now is 332.2 secs Computing kpt #: 274 total cpu time spent up to now is 333.0 secs Computing kpt #: 275 total cpu time spent up to now is 333.8 secs Computing kpt #: 276 total cpu time spent up to now is 334.6 secs ethr = 1.92E-08, avg # of iterations = 37.2 total cpu time spent up to now is 334.6 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 7133 PWs) bands (ev): -8.4195 -8.4195 -7.7520 -7.7520 -7.7258 -7.7258 -7.5005 -7.5005 -7.3181 -7.3181 -7.3110 -7.3110 -6.7829 -6.7829 -6.7521 -6.7521 -6.7162 -6.7162 -6.6910 -6.6910 -6.5844 -6.5844 -5.9890 -5.9890 -5.5213 -5.5213 -5.4398 -5.4398 -4.6684 -4.6684 -2.6501 -2.6501 -2.2431 -2.2431 -2.2104 -2.2104 -2.1518 -2.1518 -1.8759 -1.8759 -1.4301 -1.4301 -0.8318 -0.8318 -0.8311 -0.8311 -0.3379 -0.3379 -0.2835 -0.2835 -0.2570 -0.2570 3.4594 3.4594 4.8459 4.8459 5.2552 5.2552 5.3203 5.3203 6.9846 6.9846 k = 0.0000 0.0179-0.0000 ( 7145 PWs) bands (ev): -8.4194 -8.4180 -7.7548 -7.7501 -7.7265 -7.7247 -7.5056 -7.4958 -7.3238 -7.3188 -7.3078 -7.3075 -6.7871 -6.7804 -6.7530 -6.7505 -6.7169 -6.7165 -6.6935 -6.6870 -6.5870 -6.5817 -5.9924 -5.9864 -5.5240 -5.5220 -5.4482 -5.4344 -4.6670 -4.6614 -2.6544 -2.6488 -2.2556 -2.2494 -2.2050 -2.2030 -2.1526 -2.1457 -1.8753 -1.8741 -1.4287 -1.4287 -0.8326 -0.8325 -0.8316 -0.8315 -0.3413 -0.3374 -0.2858 -0.2842 -0.2601 -0.2568 3.4627 3.4629 4.8462 4.8490 5.2551 5.2585 5.3217 5.3223 6.9875 6.9876 k = 0.0000 0.0357-0.0000 ( 7157 PWs) bands (ev): -8.4177 -8.4150 -7.7584 -7.7493 -7.7263 -7.7231 -7.5108 -7.4913 -7.3305 -7.3225 -7.3033 -7.3007 -6.7927 -6.7797 -6.7534 -6.7482 -6.7189 -6.7175 -6.6942 -6.6822 -6.5897 -6.5791 -5.9968 -5.9845 -5.5314 -5.5255 -5.4577 -5.4324 -4.6573 -4.6466 -2.6617 -2.6506 -2.2745 -2.2661 -2.1980 -2.1958 -2.1451 -2.1336 -1.8723 -1.8698 -1.4246 -1.4246 -0.8351 -0.8348 -0.8325 -0.8323 -0.3474 -0.3398 -0.2908 -0.2877 -0.2661 -0.2593 3.4725 3.4730 4.8499 4.8552 5.2584 5.2650 5.3263 5.3275 6.9962 6.9963 k = 0.0000 0.0536-0.0000 ( 7153 PWs) bands (ev): -8.4144 -8.4104 -7.7625 -7.7495 -7.7254 -7.7211 -7.5163 -7.4871 -7.3372 -7.3262 -7.2984 -7.2936 -6.7993 -6.7805 -6.7533 -6.7458 -6.7213 -6.7187 -6.6931 -6.6769 -6.5922 -6.5764 -6.0022 -5.9834 -5.5451 -5.5316 -5.4658 -5.4333 -4.6397 -4.6247 -2.6721 -2.6556 -2.2942 -2.2848 -2.1991 -2.1942 -2.1277 -2.1156 -1.8669 -1.8630 -1.4180 -1.4180 -0.8394 -0.8390 -0.8339 -0.8336 -0.3565 -0.3451 -0.2985 -0.2940 -0.2747 -0.2645 3.4889 3.4896 4.8569 4.8647 5.2651 5.2745 5.3342 5.3361 7.0105 7.0108 k = 0.0000 0.0714-0.0000 ( 7169 PWs) bands (ev): -8.4097 -8.4043 -7.7672 -7.7507 -7.7240 -7.7190 -7.5219 -7.4833 -7.3436 -7.3299 -7.2933 -7.2865 -6.8066 -6.7827 -6.7533 -6.7443 -6.7232 -6.7200 -6.6911 -6.6717 -6.5947 -6.5737 -6.0091 -5.9835 -5.5652 -5.5404 -5.4710 -5.4357 -4.6154 -4.5969 -2.6855 -2.6639 -2.3135 -2.3034 -2.2056 -2.1969 -2.1047 -2.0937 -1.8589 -1.8536 -1.4093 -1.4093 -0.8454 -0.8449 -0.8357 -0.8353 -0.3686 -0.3537 -0.3085 -0.3030 -0.2860 -0.2721 3.5116 3.5125 4.8672 4.8774 5.2750 5.2870 5.3452 5.3479 7.0305 7.0308 k = 0.0000 0.0893-0.0000 ( 7169 PWs) bands (ev): -8.4034 -8.3966 -7.7723 -7.7524 -7.7223 -7.7167 -7.5276 -7.4799 -7.3495 -7.3332 -7.2881 -7.2796 -6.8143 -6.7858 -6.7532 -6.7444 -6.7233 -6.7212 -6.6883 -6.6666 -6.5972 -6.5709 -6.0178 -5.9851 -5.5897 -5.5514 -5.4736 -5.4384 -4.5853 -4.5643 -2.7022 -2.6759 -2.3319 -2.3213 -2.2146 -2.2023 -2.0791 -2.0697 -1.8484 -1.8414 -1.3990 -1.3988 -0.8529 -0.8523 -0.8379 -0.8375 -0.3838 -0.3660 -0.3201 -0.3144 -0.2996 -0.2819 3.5403 3.5415 4.8809 4.8931 5.2882 5.3022 5.3593 5.3630 7.0559 7.0563 k = 0.0000 0.1071-0.0000 ( 7167 PWs) bands (ev): -8.3956 -8.3874 -7.7777 -7.7546 -7.7204 -7.7142 -7.5335 -7.4771 -7.3548 -7.3362 -7.2827 -7.2728 -6.8224 -6.7897 -6.7532 -6.7464 -6.7223 -6.7216 -6.6850 -6.6618 -6.5996 -6.5681 -6.0287 -5.9888 -5.6161 -5.5640 -5.4745 -5.4407 -4.5507 -4.5279 -2.7222 -2.6918 -2.3492 -2.3382 -2.2245 -2.2090 -2.0522 -2.0447 -1.8352 -1.8264 -1.3875 -1.3869 -0.8620 -0.8613 -0.8405 -0.8401 -0.4020 -0.3821 -0.3330 -0.3282 -0.3155 -0.2937 3.5749 3.5763 4.8979 4.9119 5.3045 5.3201 5.3764 5.3811 7.0865 7.0870 k = 0.0000 0.1250-0.0000 ( 7151 PWs) bands (ev): -8.3864 -8.3766 -7.7834 -7.7571 -7.7185 -7.7116 -7.5396 -7.4750 -7.3593 -7.3389 -7.2773 -7.2663 -6.8308 -6.7942 -6.7535 -6.7493 -6.7230 -6.7187 -6.6814 -6.6572 -6.6018 -6.5652 -6.0422 -5.9953 -5.6421 -5.5771 -5.4744 -5.4422 -4.5125 -4.4886 -2.7454 -2.7115 -2.3653 -2.3539 -2.2343 -2.2162 -2.0247 -2.0192 -1.8192 -1.8085 -1.3752 -1.3742 -0.8725 -0.8718 -0.8436 -0.8430 -0.4229 -0.4021 -0.3467 -0.3443 -0.3336 -0.3072 3.6148 3.6166 4.9182 4.9337 5.3238 5.3406 5.3963 5.4018 7.1222 7.1227 k = 0.0000 0.1429-0.0000 ( 7153 PWs) bands (ev): -8.3758 -8.3645 -7.7895 -7.7599 -7.7167 -7.7089 -7.5459 -7.4737 -7.3631 -7.3413 -7.2719 -7.2603 -6.8393 -6.7993 -6.7543 -6.7527 -6.7236 -6.7154 -6.6777 -6.6534 -6.6040 -6.5623 -6.0585 -6.0057 -5.6656 -5.5896 -5.4737 -5.4429 -4.4716 -4.4471 -2.7719 -2.7352 -2.3801 -2.3682 -2.2436 -2.2234 -1.9970 -1.9936 -1.8003 -1.7876 -1.3625 -1.3610 -0.8845 -0.8837 -0.8469 -0.8463 -0.4465 -0.4254 -0.3626 -0.3616 -0.3536 -0.3224 3.6599 3.6619 4.9417 4.9582 5.3459 5.3637 5.4187 5.4248 7.1626 7.1632 k = 0.0000 0.1607-0.0000 ( 7145 PWs) bands (ev): -8.3639 -8.3509 -7.7959 -7.7629 -7.7150 -7.7060 -7.5522 -7.4733 -7.3658 -7.3433 -7.2666 -7.2547 -6.8479 -6.8048 -6.7562 -6.7554 -6.7239 -6.7118 -6.6738 -6.6502 -6.6061 -6.5593 -6.0780 -6.0205 -5.6850 -5.6004 -5.4727 -5.4428 -4.4289 -4.4041 -2.8015 -2.7627 -2.3937 -2.3812 -2.2520 -2.2303 -1.9694 -1.9681 -1.7784 -1.7637 -1.3497 -1.3476 -0.8977 -0.8969 -0.8505 -0.8499 -0.4722 -0.4514 -0.3829 -0.3781 -0.3750 -0.3390 3.7095 3.7119 4.9683 4.9855 5.3707 5.3891 5.4434 5.4497 7.2076 7.2082 k = 0.0000 0.1786-0.0000 ( 7129 PWs) bands (ev): -8.3507 -8.3358 -7.8027 -7.7661 -7.7135 -7.7029 -7.5588 -7.4740 -7.3673 -7.3449 -7.2613 -7.2496 -6.8564 -6.8104 -6.7598 -6.7570 -6.7239 -6.7080 -6.6699 -6.6477 -6.6079 -6.5560 -6.1005 -6.0402 -5.6993 -5.6089 -5.4714 -5.4422 -4.3847 -4.3600 -2.8338 -2.7937 -2.4058 -2.3927 -2.2593 -2.2367 -1.9428 -1.9421 -1.7534 -1.7368 -1.3371 -1.3342 -0.9121 -0.9113 -0.8543 -0.8537 -0.4996 -0.4796 -0.4052 -0.3999 -0.3941 -0.3571 3.7635 3.7662 4.9979 5.0153 5.3977 5.4166 5.4702 5.4762 7.2570 7.2575 k = 0.0000 0.1964-0.0000 ( 7109 PWs) bands (ev): -8.3362 -8.3195 -7.8098 -7.7696 -7.7121 -7.6997 -7.5655 -7.4757 -7.3677 -7.3461 -7.2561 -7.2452 -6.8649 -6.8161 -6.7635 -6.7592 -6.7236 -6.7042 -6.6661 -6.6459 -6.6096 -6.5526 -6.1257 -6.0644 -5.7080 -5.6146 -5.4702 -5.4412 -4.3397 -4.3151 -2.8687 -2.8278 -2.4166 -2.4028 -2.2656 -2.2425 -1.9177 -1.9150 -1.7256 -1.7073 -1.3248 -1.3211 -0.9277 -0.9270 -0.8583 -0.8576 -0.5282 -0.5093 -0.4293 -0.4250 -0.4130 -0.3767 3.8212 3.8244 5.0302 5.0473 5.4263 5.4455 5.4989 5.5040 7.3104 7.3109 k = 0.0000 0.2143-0.0000 ( 7115 PWs) bands (ev): -8.3206 -8.3019 -7.8172 -7.7733 -7.7109 -7.6963 -7.5724 -7.4785 -7.3669 -7.3469 -7.2512 -7.2415 -6.8734 -6.8219 -6.7673 -6.7621 -6.7230 -6.7005 -6.6624 -6.6451 -6.6112 -6.5491 -6.1532 -6.0924 -5.7117 -5.6175 -5.4691 -5.4401 -4.2942 -4.2699 -2.9059 -2.8647 -2.4259 -2.4115 -2.2710 -2.2480 -1.8926 -1.8882 -1.6950 -1.6752 -1.3130 -1.3083 -0.9445 -0.9437 -0.8624 -0.8617 -0.5577 -0.5401 -0.4550 -0.4516 -0.4332 -0.3977 3.8824 3.8860 5.0650 5.0812 5.4557 5.4747 5.5296 5.5336 7.3676 7.3681 k = 0.0000 0.2321-0.0000 ( 7123 PWs) bands (ev): -8.3040 -8.2831 -7.8250 -7.7774 -7.7098 -7.6928 -7.5796 -7.4824 -7.3650 -7.3473 -7.2466 -7.2386 -6.8815 -6.8276 -6.7713 -6.7657 -6.7223 -6.6967 -6.6588 -6.6451 -6.6125 -6.5454 -6.1826 -6.1230 -5.7110 -5.6176 -5.4683 -5.4391 -4.2484 -4.2245 -2.9449 -2.9040 -2.4338 -2.4189 -2.2757 -2.2532 -1.8675 -1.8617 -1.6620 -1.6409 -1.3018 -1.2959 -0.9623 -0.9615 -0.8666 -0.8659 -0.5876 -0.5714 -0.4820 -0.4795 -0.4549 -0.4202 3.9466 3.9506 5.1017 5.1165 5.4849 5.5027 5.5626 5.5656 7.4284 7.4288 k = 0.0000 0.2500-0.0000 ( 7127 PWs) bands (ev): -8.2864 -8.2632 -7.8331 -7.7818 -7.7088 -7.6889 -7.5869 -7.4871 -7.3622 -7.3473 -7.2423 -7.2366 -6.8894 -6.8329 -6.7755 -6.7700 -6.7213 -6.6929 -6.6554 -6.6459 -6.6136 -6.5415 -6.2131 -6.1551 -5.7066 -5.6153 -5.4677 -5.4380 -4.2026 -4.1791 -2.9855 -2.9450 -2.4401 -2.4248 -2.2800 -2.2584 -1.8422 -1.8351 -1.6268 -1.6046 -1.2911 -1.2840 -0.9810 -0.9803 -0.8707 -0.8700 -0.6173 -0.6028 -0.5102 -0.5083 -0.4780 -0.4441 4.0134 4.0179 5.1399 5.1524 5.5128 5.5278 5.5984 5.6007 7.4926 7.4929 k = 0.0000 0.2679-0.0000 ( 7121 PWs) bands (ev): -8.2679 -8.2422 -7.8416 -7.7866 -7.7079 -7.6848 -7.5944 -7.4926 -7.3584 -7.3469 -7.2384 -7.2354 -6.8968 -6.8379 -6.7798 -6.7751 -6.7201 -6.6890 -6.6522 -6.6475 -6.6143 -6.5373 -6.2442 -6.1876 -5.6994 -5.6108 -5.4675 -5.4372 -4.1569 -4.1337 -3.0273 -2.9876 -2.4450 -2.4294 -2.2841 -2.2636 -1.8165 -1.8084 -1.5896 -1.5667 -1.2810 -1.2726 -1.0006 -0.9998 -0.8748 -0.8741 -0.6465 -0.6340 -0.5392 -0.5380 -0.5025 -0.4694 4.0825 4.0875 5.1786 5.1879 5.5389 5.5496 5.6370 5.6390 7.5597 7.5599 k = 0.0000 0.2857-0.0000 ( 7137 PWs) bands (ev): -8.2486 -8.2204 -7.8506 -7.7919 -7.7070 -7.6805 -7.6022 -7.4988 -7.3538 -7.3460 -7.2353 -7.2351 -6.9038 -6.8425 -6.7845 -6.7811 -6.7189 -6.6852 -6.6499 -6.6493 -6.6145 -6.5330 -6.2753 -6.2196 -5.6901 -5.6046 -5.4679 -5.4368 -4.1115 -4.0887 -3.0700 -3.0312 -2.4484 -2.4326 -2.2883 -2.2692 -1.7904 -1.7814 -1.5509 -1.5274 -1.2717 -1.2619 -1.0208 -1.0200 -0.8789 -0.8782 -0.6748 -0.6646 -0.5688 -0.5682 -0.5282 -0.4960 4.1533 4.1589 5.2165 5.2216 5.5635 5.5682 5.6780 5.6798 7.6295 7.6296 k = 0.0000 0.3036-0.0000 ( 7135 PWs) bands (ev): -8.2287 -8.1976 -7.8600 -7.7978 -7.7062 -7.6758 -7.6100 -7.5056 -7.3486 -7.3446 -7.2361 -7.2324 -6.9100 -6.8466 -6.7892 -6.7881 -6.7174 -6.6812 -6.6529 -6.6468 -6.6142 -6.5284 -6.3058 -6.2505 -5.6790 -5.5968 -5.4688 -5.4368 -4.0664 -4.0439 -3.1134 -3.0757 -2.4502 -2.4344 -2.2928 -2.2753 -1.7637 -1.7539 -1.5109 -1.4870 -1.2634 -1.2520 -1.0412 -1.0405 -0.8829 -0.8821 -0.7021 -0.6944 -0.5987 -0.5986 -0.5550 -0.5238 4.2257 4.2319 5.2515 5.2518 5.5850 5.5875 5.7207 5.7222 7.7016 7.7017 k = 0.0000 0.3214-0.0000 ( 7133 PWs) bands (ev): -8.2083 -8.1742 -7.8699 -7.8043 -7.7053 -7.6707 -7.6180 -7.5128 -7.3427 -7.3426 -7.2379 -7.2304 -6.9155 -6.8500 -6.7960 -6.7942 -6.7158 -6.6774 -6.6563 -6.6447 -6.6130 -6.5236 -6.3355 -6.2797 -5.6668 -5.5879 -5.4703 -5.4373 -4.0217 -3.9994 -3.1572 -3.1206 -2.4506 -2.4349 -2.2977 -2.2819 -1.7364 -1.7260 -1.4698 -1.4457 -1.2566 -1.2434 -1.0611 -1.0605 -0.8868 -0.8861 -0.7281 -0.7233 -0.6289 -0.6286 -0.5827 -0.5526 4.2992 4.3060 5.2752 5.2819 5.6020 5.6126 5.7639 5.7648 7.7755 7.7757 k = 0.0000 0.3393-0.0000 ( 7131 PWs) bands (ev): -8.1875 -8.1502 -7.8803 -7.8117 -7.7043 -7.6654 -7.6260 -7.5205 -7.3402 -7.3362 -7.2407 -7.2292 -6.9201 -6.8528 -6.8050 -6.7994 -6.7142 -6.6736 -6.6602 -6.6431 -6.6110 -6.5186 -6.3640 -6.3068 -5.6537 -5.5781 -5.4727 -5.4384 -3.9774 -3.9553 -3.2013 -3.1659 -2.4494 -2.4340 -2.3032 -2.2894 -1.7085 -1.6975 -1.4280 -1.4038 -1.2523 -1.2373 -1.0792 -1.0788 -0.8908 -0.8901 -0.7528 -0.7512 -0.6587 -0.6580 -0.6108 -0.5821 4.3734 4.3809 5.2906 5.3037 5.6218 5.6405 5.8066 5.8066 7.8501 7.8513 k = 0.0000 0.3571-0.0000 ( 7125 PWs) bands (ev): -8.1665 -8.1258 -7.8914 -7.8201 -7.7033 -7.6596 -7.6339 -7.5285 -7.3372 -7.3293 -7.2445 -7.2290 -6.9236 -6.8548 -6.8149 -6.8048 -6.7123 -6.6700 -6.6642 -6.6421 -6.6079 -6.5132 -6.3910 -6.3316 -5.6400 -5.5676 -5.4758 -5.4401 -3.9336 -3.9114 -3.2454 -3.2112 -2.4468 -2.4319 -2.3094 -2.2976 -1.6799 -1.6684 -1.3857 -1.3615 -1.2521 -1.2353 -1.0938 -1.0934 -0.8950 -0.8944 -0.7784 -0.7763 -0.6876 -0.6865 -0.6390 -0.6121 4.4479 4.4562 5.2956 5.3142 5.6468 5.6723 5.8462 5.8476 7.9143 7.9279 k = 0.0000 0.3750-0.0000 ( 7129 PWs) bands (ev): -8.1453 -8.1011 -7.9031 -7.8296 -7.7021 -7.6534 -7.6418 -7.5368 -7.3337 -7.3220 -7.2492 -7.2299 -6.9260 -6.8561 -6.8257 -6.8102 -6.7105 -6.6684 -6.6665 -6.6416 -6.6039 -6.5077 -6.4164 -6.3541 -5.6260 -5.5567 -5.4797 -5.4427 -3.8901 -3.8679 -3.2895 -3.2565 -2.4428 -2.4285 -2.3163 -2.3066 -1.6507 -1.6387 -1.3433 -1.3192 -1.2580 -1.2398 -1.1027 -1.1017 -0.8996 -0.8993 -0.8053 -0.7989 -0.7150 -0.7134 -0.6666 -0.6420 4.5225 4.5316 5.2897 5.3118 5.6780 5.7083 5.8822 5.8853 7.9139 7.9483 k = 0.0000 0.3929-0.0000 ( 7129 PWs) bands (ev): -8.1242 -8.0763 -7.9154 -7.8404 -7.7007 -7.6493 -7.6468 -7.5454 -7.3297 -7.3142 -7.2547 -7.2319 -6.9270 -6.8567 -6.8370 -6.8156 -6.7084 -6.6726 -6.6632 -6.6417 -6.5988 -6.5018 -6.4400 -6.3743 -5.6118 -5.5456 -5.4846 -5.4460 -3.8469 -3.8246 -3.3335 -3.3016 -2.4374 -2.4240 -2.3238 -2.3163 -1.6209 -1.6085 -1.3020 -1.2779 -1.2701 -1.2510 -1.1048 -1.1024 -0.9054 -0.9052 -0.8323 -0.8212 -0.7399 -0.7377 -0.6930 -0.6712 4.5967 4.6067 5.2732 5.2969 5.7147 5.7476 5.9132 5.9184 7.9038 7.9389 k = 0.0000 0.4107-0.0000 ( 7121 PWs) bands (ev): -8.1034 -8.0516 -7.9285 -7.8526 -7.6990 -7.6566 -7.6397 -7.5542 -7.3252 -7.3062 -7.2607 -7.2349 -6.9266 -6.8565 -6.8487 -6.8211 -6.7063 -6.6766 -6.6601 -6.6420 -6.5927 -6.4956 -6.4618 -6.3922 -5.5978 -5.5345 -5.4905 -5.4502 -3.8041 -3.7815 -3.3772 -3.3465 -2.4308 -2.4184 -2.3320 -2.3267 -1.5904 -1.5777 -1.2906 -1.2801 -1.2499 -1.2352 -1.1007 -1.0964 -0.9132 -0.9122 -0.8599 -0.8436 -0.7612 -0.7585 -0.7175 -0.6989 4.6701 4.6811 5.2470 5.2708 5.7549 5.7885 5.9378 5.9456 7.8986 7.9339 k = 0.0000 0.4286-0.0000 ( 7123 PWs) bands (ev): -8.0828 -8.0272 -7.9424 -7.8663 -7.6970 -7.6634 -7.6323 -7.5632 -7.3201 -7.2980 -7.2673 -7.2391 -6.9247 -6.8605 -6.8555 -6.8264 -6.7041 -6.6804 -6.6572 -6.6427 -6.5855 -6.4890 -6.4818 -6.4082 -5.5840 -5.5235 -5.4973 -5.4552 -3.7615 -3.7385 -3.4206 -3.3911 -2.4231 -2.4118 -2.3407 -2.3376 -1.5595 -1.5465 -1.3147 -1.3003 -1.2121 -1.1948 -1.0923 -1.0857 -0.9235 -0.9208 -0.8886 -0.8668 -0.7780 -0.7748 -0.7393 -0.7242 4.7422 4.7543 5.2122 5.2353 5.7963 5.8294 5.9547 5.9654 7.9011 7.9356 k = 0.0000 0.4464-0.0000 ( 7117 PWs) bands (ev): -8.0627 -8.0033 -7.9571 -7.8816 -7.6946 -7.6696 -7.6245 -7.5722 -7.3145 -7.2896 -7.2742 -7.2443 -6.9212 -6.8720 -6.8538 -6.8315 -6.7017 -6.6841 -6.6545 -6.6437 -6.5772 -6.5000 -6.4818 -6.4224 -5.5706 -5.5128 -5.5051 -5.4611 -3.7190 -3.6956 -3.4638 -3.4354 -2.4143 -2.4043 -2.3499 -2.3488 -1.5282 -1.5148 -1.3420 -1.3274 -1.1715 -1.1562 -1.0818 -1.0727 -0.9365 -0.9311 -0.9181 -0.8908 -0.7893 -0.7857 -0.7578 -0.7461 4.8128 4.8260 5.1701 5.1919 5.8368 5.8685 5.9631 5.9769 7.9129 7.9459 k = 0.0000 0.4643-0.0000 ( 7123 PWs) bands (ev): -8.0433 -7.9802 -7.9727 -7.8985 -7.6919 -7.6753 -7.6163 -7.5813 -7.3085 -7.2813 -7.2812 -7.2505 -6.9163 -6.8829 -6.8515 -6.8363 -6.6992 -6.6876 -6.6521 -6.6450 -6.5677 -6.5165 -6.4741 -6.4351 -5.5577 -5.5138 -5.5025 -5.4678 -3.6767 -3.6526 -3.5068 -3.4794 -2.4046 -2.3962 -2.3604 -2.3593 -1.4966 -1.4830 -1.3714 -1.3568 -1.1322 -1.1210 -1.0720 -1.0604 -0.9514 -0.9467 -0.9415 -0.9145 -0.7951 -0.7912 -0.7729 -0.7641 4.8811 4.8956 5.1216 5.1420 5.8743 5.9039 5.9622 5.9795 7.9354 7.9660 k = 0.0000 0.4821-0.0000 ( 7111 PWs) bands (ev): -8.0244 -7.9891 -7.9579 -7.9169 -7.6885 -7.6803 -7.6079 -7.5903 -7.3021 -7.2883 -7.2729 -7.2574 -6.9098 -6.8929 -6.8484 -6.8408 -6.6966 -6.6907 -6.6499 -6.6464 -6.5569 -6.5315 -6.4657 -6.4463 -5.5455 -5.5235 -5.4928 -5.4754 -3.6343 -3.6096 -3.5494 -3.5230 -2.3942 -2.3874 -2.3719 -2.3688 -1.4649 -1.4510 -1.4019 -1.3876 -1.0959 -1.0917 -1.0670 -1.0551 -0.9691 -0.9657 -0.9487 -0.9350 -0.7958 -0.7914 -0.7844 -0.7777 4.9468 4.9627 5.0677 5.0865 5.9071 5.9340 5.9522 5.9728 7.9689 7.9965 k = 0.0000 0.5000-0.0000 ( 7094 PWs) bands (ev): -8.0063 -8.0063 -7.9367 -7.9367 -7.6847 -7.6847 -7.5991 -7.5991 -7.2953 -7.2953 -7.2649 -7.2649 -6.9020 -6.9020 -6.8448 -6.8448 -6.6937 -6.6937 -6.6480 -6.6480 -6.5449 -6.5449 -6.4564 -6.4564 -5.5340 -5.5340 -5.4837 -5.4837 -3.5919 -3.5919 -3.5664 -3.5664 -2.3832 -2.3832 -2.3782 -2.3782 -1.4332 -1.4332 -1.4191 -1.4191 -1.0726 -1.0726 -1.0672 -1.0672 -0.9749 -0.9749 -0.9475 -0.9475 -0.7921 -0.7921 -0.7868 -0.7868 5.0092 5.0092 5.0265 5.0265 5.9335 5.9335 5.9574 5.9574 8.0134 8.0134 k = 0.0000 0.5000-0.0000 ( 7094 PWs) bands (ev): -8.0063 -8.0063 -7.9367 -7.9367 -7.6847 -7.6847 -7.5991 -7.5991 -7.2953 -7.2953 -7.2649 -7.2649 -6.9020 -6.9020 -6.8448 -6.8448 -6.6937 -6.6937 -6.6480 -6.6480 -6.5449 -6.5449 -6.4564 -6.4564 -5.5340 -5.5340 -5.4837 -5.4837 -3.5919 -3.5919 -3.5664 -3.5664 -2.3832 -2.3832 -2.3782 -2.3782 -1.4332 -1.4332 -1.4191 -1.4191 -1.0726 -1.0726 -1.0672 -1.0672 -0.9749 -0.9749 -0.9475 -0.9475 -0.7921 -0.7921 -0.7868 -0.7868 5.0092 5.0092 5.0265 5.0265 5.9335 5.9335 5.9574 5.9574 8.0134 8.0135 k = 0.0179 0.5000-0.0000 ( 7126 PWs) bands (ev): -8.0061 -8.0061 -7.9365 -7.9365 -7.6850 -7.6850 -7.5996 -7.5996 -7.2966 -7.2966 -7.2626 -7.2626 -6.9028 -6.9028 -6.8447 -6.8447 -6.6938 -6.6938 -6.6476 -6.6476 -6.5448 -6.5448 -6.4563 -6.4563 -5.5348 -5.5348 -5.4842 -5.4842 -3.5930 -3.5930 -3.5673 -3.5673 -2.3841 -2.3841 -2.3771 -2.3771 -1.4368 -1.4368 -1.4224 -1.4224 -1.0746 -1.0746 -1.0658 -1.0658 -0.9718 -0.9718 -0.9446 -0.9446 -0.7922 -0.7922 -0.7836 -0.7836 5.0096 5.0096 5.0271 5.0271 5.9352 5.9352 5.9592 5.9592 8.0126 8.0126 k = 0.0357 0.5000-0.0000 ( 7126 PWs) bands (ev): -8.0052 -8.0052 -7.9357 -7.9357 -7.6859 -7.6859 -7.6010 -7.6010 -7.2995 -7.2995 -7.2564 -7.2564 -6.9051 -6.9051 -6.8439 -6.8439 -6.6936 -6.6936 -6.6461 -6.6461 -6.5442 -6.5442 -6.4558 -6.4558 -5.5369 -5.5369 -5.4858 -5.4858 -3.5962 -3.5962 -3.5698 -3.5698 -2.3858 -2.3858 -2.3749 -2.3749 -1.4469 -1.4469 -1.4320 -1.4320 -1.0772 -1.0772 -1.0635 -1.0635 -0.9634 -0.9634 -0.9367 -0.9367 -0.7901 -0.7901 -0.7759 -0.7759 5.0109 5.0109 5.0289 5.0289 5.9403 5.9403 5.9645 5.9645 8.0103 8.0103 k = 0.0536 0.5000-0.0000 ( 7122 PWs) bands (ev): -8.0038 -8.0038 -7.9344 -7.9344 -7.6873 -7.6873 -7.6032 -7.6032 -7.3026 -7.3026 -7.2479 -7.2479 -6.9086 -6.9086 -6.8429 -6.8429 -6.6933 -6.6933 -6.6438 -6.6438 -6.5431 -6.5431 -6.4549 -6.4549 -5.5403 -5.5403 -5.4883 -5.4883 -3.6013 -3.6013 -3.5739 -3.5739 -2.3875 -2.3875 -2.3723 -2.3723 -1.4630 -1.4630 -1.4472 -1.4472 -1.0782 -1.0782 -1.0603 -1.0603 -0.9523 -0.9523 -0.9267 -0.9267 -0.7838 -0.7838 -0.7644 -0.7644 5.0130 5.0130 5.0318 5.0318 5.9488 5.9488 5.9734 5.9734 8.0067 8.0067 k = 0.0714 0.5000-0.0000 ( 7112 PWs) bands (ev): -8.0018 -8.0018 -7.9327 -7.9327 -7.6892 -7.6892 -7.6062 -7.6062 -7.3052 -7.3052 -7.2378 -7.2378 -6.9132 -6.9132 -6.8417 -6.8417 -6.6928 -6.6928 -6.6408 -6.6408 -6.5415 -6.5415 -6.4536 -6.4536 -5.5451 -5.5451 -5.4920 -5.4920 -3.6081 -3.6081 -3.5796 -3.5796 -2.3891 -2.3891 -2.3699 -2.3699 -1.4837 -1.4837 -1.4673 -1.4673 -1.0767 -1.0767 -1.0556 -1.0556 -0.9407 -0.9407 -0.9169 -0.9169 -0.7722 -0.7722 -0.7488 -0.7488 5.0161 5.0161 5.0359 5.0359 5.9606 5.9606 5.9858 5.9858 8.0023 8.0023 k = 0.0893 0.5000-0.0000 ( 7114 PWs) bands (ev): -7.9992 -7.9992 -7.9304 -7.9304 -7.6917 -7.6917 -7.6101 -7.6101 -7.3068 -7.3068 -7.2266 -7.2266 -6.9187 -6.9187 -6.8406 -6.8406 -6.6921 -6.6921 -6.6371 -6.6371 -6.5395 -6.5395 -6.4519 -6.4519 -5.5513 -5.5513 -5.4967 -5.4967 -3.6164 -3.6164 -3.5866 -3.5866 -2.3908 -2.3908 -2.3677 -2.3677 -1.5079 -1.5079 -1.4909 -1.4909 -1.0733 -1.0733 -1.0495 -1.0495 -0.9297 -0.9297 -0.9090 -0.9090 -0.7549 -0.7549 -0.7292 -0.7292 5.0201 5.0201 5.0411 5.0411 5.9758 5.9758 6.0015 6.0015 7.9974 7.9974 k = 0.1071 0.5000-0.0000 ( 7118 PWs) bands (ev): -7.9962 -7.9962 -7.9277 -7.9277 -7.6947 -7.6947 -7.6148 -7.6148 -7.3074 -7.3074 -7.2146 -7.2146 -6.9250 -6.9250 -6.8397 -6.8397 -6.6912 -6.6912 -6.6331 -6.6331 -6.5368 -6.5368 -6.4499 -6.4499 -5.5587 -5.5587 -5.5026 -5.5026 -3.6259 -3.6259 -3.5947 -3.5947 -2.3927 -2.3927 -2.3660 -2.3660 -1.5343 -1.5343 -1.5167 -1.5167 -1.0690 -1.0690 -1.0430 -1.0430 -0.9191 -0.9191 -0.9024 -0.9024 -0.7325 -0.7325 -0.7062 -0.7062 5.0250 5.0250 5.0473 5.0473 5.9941 5.9941 6.0206 6.0206 7.9924 7.9924 k = 0.1250 0.5000-0.0000 ( 7126 PWs) bands (ev): -7.9925 -7.9925 -7.9245 -7.9245 -7.6981 -7.6981 -7.6202 -7.6202 -7.3070 -7.3070 -7.2018 -7.2018 -6.9318 -6.9318 -6.8390 -6.8390 -6.6900 -6.6900 -6.6288 -6.6288 -6.5334 -6.5334 -6.4474 -6.4474 -5.5675 -5.5675 -5.5098 -5.5098 -3.6362 -3.6362 -3.6038 -3.6038 -2.3950 -2.3950 -2.3652 -2.3652 -1.5617 -1.5617 -1.5436 -1.5436 -1.0655 -1.0655 -1.0375 -1.0375 -0.9076 -0.9076 -0.8954 -0.8954 -0.7064 -0.7064 -0.6805 -0.6805 5.0310 5.0310 5.0545 5.0545 6.0155 6.0155 6.0429 6.0429 7.9874 7.9874 k = 0.1429 0.5000-0.0000 ( 7122 PWs) bands (ev): -7.9884 -7.9884 -7.9209 -7.9209 -7.7019 -7.7019 -7.6263 -7.6263 -7.3054 -7.3054 -7.1884 -7.1884 -6.9390 -6.9390 -6.8386 -6.8386 -6.6886 -6.6886 -6.6245 -6.6245 -6.5292 -6.5292 -6.4445 -6.4445 -5.5775 -5.5775 -5.5181 -5.5181 -3.6470 -3.6470 -3.6135 -3.6135 -2.3980 -2.3980 -2.3655 -2.3655 -1.5891 -1.5891 -1.5703 -1.5703 -1.0643 -1.0643 -1.0350 -1.0350 -0.8941 -0.8941 -0.8857 -0.8857 -0.6780 -0.6780 -0.6531 -0.6531 5.0380 5.0380 5.0627 5.0627 6.0400 6.0400 6.0682 6.0682 7.9827 7.9827 k = 0.1607 0.5000-0.0000 ( 7126 PWs) bands (ev): -7.9838 -7.9838 -7.9169 -7.9169 -7.7062 -7.7062 -7.6330 -7.6330 -7.3028 -7.3028 -7.1746 -7.1746 -6.9465 -6.9465 -6.8386 -6.8386 -6.6868 -6.6868 -6.6203 -6.6203 -6.5241 -6.5241 -6.4411 -6.4411 -5.5888 -5.5888 -5.5278 -5.5278 -3.6580 -3.6580 -3.6236 -3.6236 -2.4019 -2.4019 -2.3672 -2.3672 -1.6156 -1.6156 -1.5959 -1.5959 -1.0666 -1.0666 -1.0369 -1.0369 -0.8775 -0.8775 -0.8715 -0.8715 -0.6486 -0.6486 -0.6248 -0.6248 5.0460 5.0460 5.0717 5.0717 6.0674 6.0674 6.0965 6.0965 7.9782 7.9782 k = 0.1786 0.5000-0.0000 ( 7122 PWs) bands (ev): -7.9788 -7.9788 -7.9125 -7.9125 -7.7108 -7.7108 -7.6402 -7.6402 -7.2992 -7.2992 -7.1604 -7.1604 -6.9544 -6.9544 -6.8389 -6.8389 -6.6848 -6.6848 -6.6164 -6.6164 -6.5181 -6.5181 -6.4373 -6.4373 -5.6012 -5.6012 -5.5386 -5.5386 -3.6688 -3.6688 -3.6338 -3.6338 -2.4070 -2.4070 -2.3705 -2.3705 -1.6402 -1.6402 -1.6195 -1.6195 -1.0730 -1.0730 -1.0435 -1.0435 -0.8576 -0.8576 -0.8523 -0.8523 -0.6189 -0.6189 -0.5962 -0.5962 5.0551 5.0551 5.0817 5.0817 6.0975 6.0975 6.1275 6.1275 7.9737 7.9737 k = 0.1964 0.5000-0.0000 ( 7146 PWs) bands (ev): -7.9733 -7.9733 -7.9078 -7.9078 -7.7158 -7.7158 -7.6479 -7.6479 -7.2947 -7.2947 -7.1461 -7.1461 -6.9625 -6.9625 -6.8396 -6.8396 -6.6826 -6.6826 -6.6130 -6.6130 -6.5111 -6.5111 -6.4330 -6.4330 -5.6147 -5.6147 -5.5509 -5.5509 -3.6794 -3.6794 -3.6439 -3.6439 -2.4136 -2.4136 -2.3759 -2.3759 -1.6623 -1.6623 -1.6405 -1.6405 -1.0834 -1.0834 -1.0545 -1.0545 -0.8347 -0.8347 -0.8289 -0.8289 -0.5897 -0.5897 -0.5681 -0.5681 5.0651 5.0651 5.0924 5.0924 6.1301 6.1301 6.1611 6.1611 7.9687 7.9687 k = 0.2143 0.5000-0.0000 ( 7140 PWs) bands (ev): -7.9674 -7.9674 -7.9027 -7.9027 -7.7210 -7.7210 -7.6559 -7.6559 -7.2893 -7.2893 -7.1315 -7.1315 -6.9706 -6.9706 -6.8406 -6.8406 -6.6801 -6.6801 -6.6100 -6.6100 -6.5031 -6.5031 -6.4281 -6.4281 -5.6292 -5.6292 -5.5642 -5.5642 -3.6892 -3.6892 -3.6536 -3.6536 -2.4219 -2.4219 -2.3834 -2.3834 -1.6813 -1.6813 -1.6581 -1.6581 -1.0972 -1.0972 -1.0690 -1.0690 -0.8089 -0.8089 -0.8023 -0.8023 -0.5613 -0.5613 -0.5407 -0.5407 5.0761 5.0761 5.1039 5.1039 6.1651 6.1651 6.1970 6.1970 7.9625 7.9625 k = 0.2321 0.5000-0.0000 ( 7136 PWs) bands (ev): -7.9611 -7.9611 -7.8973 -7.8973 -7.7266 -7.7266 -7.6642 -7.6642 -7.2831 -7.2831 -7.1170 -7.1170 -6.9787 -6.9787 -6.8419 -6.8419 -6.6773 -6.6773 -6.6076 -6.6076 -6.4942 -6.4942 -6.4227 -6.4227 -5.6446 -5.6446 -5.5788 -5.5788 -3.6983 -3.6983 -3.6627 -3.6627 -2.4320 -2.4320 -2.3932 -2.3932 -1.6966 -1.6966 -1.6720 -1.6720 -1.1140 -1.1140 -1.0864 -1.0864 -0.7810 -0.7810 -0.7736 -0.7736 -0.5342 -0.5342 -0.5145 -0.5145 5.0879 5.0879 5.1160 5.1160 6.2022 6.2022 6.2350 6.2350 7.9539 7.9539 k = 0.2500 0.5000-0.0000 ( 7116 PWs) bands (ev): -7.9543 -7.9543 -7.8916 -7.8916 -7.7323 -7.7323 -7.6728 -7.6728 -7.2762 -7.2762 -7.1028 -7.1028 -6.9867 -6.9867 -6.8436 -6.8436 -6.6743 -6.6743 -6.6057 -6.6057 -6.4844 -6.4844 -6.4167 -6.4167 -5.6608 -5.6608 -5.5945 -5.5945 -3.7063 -3.7063 -3.6712 -3.6712 -2.4439 -2.4439 -2.4052 -2.4052 -1.7079 -1.7079 -1.6819 -1.6819 -1.1332 -1.1332 -1.1061 -1.1061 -0.7515 -0.7515 -0.7435 -0.7435 -0.5086 -0.5086 -0.4898 -0.4898 5.1005 5.1005 5.1286 5.1286 6.2412 6.2412 6.2747 6.2747 7.9411 7.9412 k = 0.2679 0.5000-0.0000 ( 7120 PWs) bands (ev): -7.9473 -7.9473 -7.8857 -7.8857 -7.7385 -7.7385 -7.6816 -7.6816 -7.2686 -7.2686 -7.0892 -7.0892 -6.9943 -6.9943 -6.8458 -6.8458 -6.6711 -6.6711 -6.6043 -6.6043 -6.4740 -6.4740 -6.4102 -6.4102 -5.6776 -5.6776 -5.6112 -5.6112 -3.7132 -3.7132 -3.6788 -3.6788 -2.4576 -2.4576 -2.4195 -2.4195 -1.7151 -1.7151 -1.6878 -1.6878 -1.1546 -1.1546 -1.1278 -1.1278 -0.7212 -0.7212 -0.7128 -0.7128 -0.4849 -0.4849 -0.4669 -0.4669 5.1138 5.1138 5.1416 5.1416 6.2818 6.2818 6.3160 6.3160 7.9227 7.9227 k = 0.2857 0.5000-0.0000 ( 7122 PWs) bands (ev): -7.9400 -7.9400 -7.8795 -7.8795 -7.7448 -7.7448 -7.6904 -7.6904 -7.2605 -7.2605 -7.0768 -7.0768 -7.0009 -7.0009 -6.8483 -6.8483 -6.6677 -6.6677 -6.6035 -6.6035 -6.4630 -6.4630 -6.4032 -6.4032 -5.6948 -5.6948 -5.6288 -5.6288 -3.7190 -3.7190 -3.6855 -3.6855 -2.4727 -2.4727 -2.4356 -2.4356 -1.7181 -1.7181 -1.6895 -1.6895 -1.1777 -1.1777 -1.1510 -1.1510 -0.6906 -0.6906 -0.6817 -0.6817 -0.4630 -0.4630 -0.4458 -0.4458 5.1275 5.1275 5.1548 5.1548 6.3237 6.3237 6.3584 6.3584 7.8971 7.8971 k = 0.3036 0.5000-0.0000 ( 7114 PWs) bands (ev): -7.9324 -7.9324 -7.8732 -7.8732 -7.7514 -7.7514 -7.6994 -7.6994 -7.2518 -7.2518 -7.0667 -7.0667 -7.0056 -7.0056 -6.8511 -6.8511 -6.6641 -6.6641 -6.6031 -6.6031 -6.4517 -6.4517 -6.3958 -6.3958 -5.7121 -5.7121 -5.6471 -5.6471 -3.7235 -3.7235 -3.6913 -3.6913 -2.4889 -2.4889 -2.4532 -2.4532 -1.7170 -1.7170 -1.6874 -1.6874 -1.2023 -1.2023 -1.1755 -1.1755 -0.6602 -0.6602 -0.6509 -0.6509 -0.4434 -0.4434 -0.4269 -0.4269 5.1416 5.1416 5.1681 5.1681 6.3665 6.3665 6.4015 6.4015 7.8644 7.8645 k = 0.3214 0.5000-0.0000 ( 7108 PWs) bands (ev): -7.9246 -7.9246 -7.8666 -7.8666 -7.7582 -7.7582 -7.7084 -7.7084 -7.2428 -7.2428 -7.0607 -7.0607 -7.0066 -7.0066 -6.8544 -6.8544 -6.6604 -6.6604 -6.6032 -6.6032 -6.4400 -6.4400 -6.3880 -6.3880 -5.7293 -5.7293 -5.6659 -5.6659 -3.7269 -3.7269 -3.6962 -3.6962 -2.5057 -2.5057 -2.4719 -2.4719 -1.7121 -1.7121 -1.6816 -1.6816 -1.2281 -1.2281 -1.2011 -1.2011 -0.6302 -0.6302 -0.6208 -0.6208 -0.4259 -0.4259 -0.4101 -0.4101 5.1559 5.1559 5.1812 5.1812 6.4099 6.4099 6.4449 6.4449 7.8258 7.8259 k = 0.3393 0.5000-0.0000 ( 7112 PWs) bands (ev): -7.9165 -7.9165 -7.8600 -7.8600 -7.7652 -7.7652 -7.7174 -7.7174 -7.2333 -7.2333 -7.0603 -7.0603 -7.0025 -7.0025 -6.8581 -6.8581 -6.6566 -6.6566 -6.6036 -6.6036 -6.4283 -6.4283 -6.3801 -6.3801 -5.7461 -5.7461 -5.6850 -5.6850 -3.7291 -3.7291 -3.7003 -3.7003 -2.5227 -2.5227 -2.4911 -2.4911 -1.7037 -1.7037 -1.6724 -1.6724 -1.2549 -1.2549 -1.2276 -1.2276 -0.6012 -0.6012 -0.5916 -0.5916 -0.4108 -0.4108 -0.3956 -0.3956 5.1700 5.1700 5.1939 5.1939 6.4533 6.4533 6.4880 6.4880 7.7833 7.7833 k = 0.3571 0.5000-0.0000 ( 7106 PWs) bands (ev): -7.9083 -7.9083 -7.8532 -7.8532 -7.7724 -7.7724 -7.7263 -7.7263 -7.2235 -7.2235 -7.0644 -7.0644 -6.9944 -6.9944 -6.8621 -6.8621 -6.6527 -6.6527 -6.6044 -6.6044 -6.4166 -6.4166 -6.3722 -6.3722 -5.7621 -5.7621 -5.7040 -5.7040 -3.7302 -3.7302 -3.7037 -3.7037 -2.5393 -2.5393 -2.5102 -2.5102 -1.6920 -1.6920 -1.6602 -1.6602 -1.2824 -1.2824 -1.2548 -1.2548 -0.5734 -0.5734 -0.5637 -0.5637 -0.3980 -0.3980 -0.3836 -0.3836 5.1839 5.1839 5.2060 5.2060 6.4962 6.4962 6.5303 6.5303 7.7391 7.7391 k = 0.3750 0.5000-0.0000 ( 7110 PWs) bands (ev): -7.8998 -7.8998 -7.8462 -7.8462 -7.7799 -7.7799 -7.7351 -7.7351 -7.2135 -7.2135 -7.0713 -7.0713 -6.9842 -6.9842 -6.8666 -6.8666 -6.6488 -6.6488 -6.6057 -6.6057 -6.4051 -6.4051 -6.3646 -6.3646 -5.7770 -5.7770 -5.7228 -5.7228 -3.7305 -3.7305 -3.7064 -3.7064 -2.5551 -2.5551 -2.5288 -2.5288 -1.6775 -1.6775 -1.6454 -1.6454 -1.3105 -1.3105 -1.2825 -1.2825 -0.5472 -0.5472 -0.5374 -0.5374 -0.3877 -0.3877 -0.3739 -0.3739 5.1971 5.1971 5.2172 5.2172 6.5382 6.5382 6.5711 6.5711 7.6950 7.6950 k = 0.3929 0.5000-0.0000 ( 7100 PWs) bands (ev): -7.8913 -7.8913 -7.8392 -7.8392 -7.7875 -7.7875 -7.7438 -7.7438 -7.2032 -7.2032 -7.0797 -7.0797 -6.9732 -6.9732 -6.8716 -6.8716 -6.6448 -6.6448 -6.6072 -6.6072 -6.3938 -6.3938 -6.3575 -6.3575 -5.7902 -5.7902 -5.7410 -5.7410 -3.7299 -3.7299 -3.7086 -3.7086 -2.5696 -2.5696 -2.5464 -2.5464 -1.6604 -1.6604 -1.6283 -1.6283 -1.3389 -1.3389 -1.3106 -1.3106 -0.5228 -0.5228 -0.5131 -0.5131 -0.3797 -0.3797 -0.3667 -0.3667 5.2096 5.2096 5.2274 5.2274 6.5784 6.5784 6.6095 6.6095 7.6529 7.6529 k = 0.4107 0.5000-0.0000 ( 7100 PWs) bands (ev): -7.8826 -7.8826 -7.8322 -7.8322 -7.7952 -7.7952 -7.7524 -7.7524 -7.1928 -7.1928 -7.0888 -7.0888 -6.9621 -6.9621 -6.8771 -6.8771 -6.6409 -6.6409 -6.6091 -6.6091 -6.3831 -6.3831 -6.3514 -6.3514 -5.8014 -5.8014 -5.7581 -5.7581 -3.7288 -3.7288 -3.7105 -3.7105 -2.5823 -2.5823 -2.5625 -2.5625 -1.6412 -1.6412 -1.6092 -1.6092 -1.3673 -1.3673 -1.3387 -1.3387 -0.5005 -0.5005 -0.4911 -0.4911 -0.3739 -0.3739 -0.3618 -0.3618 5.2210 5.2210 5.2362 5.2362 6.6161 6.6161 6.6445 6.6445 7.6142 7.6142 k = 0.4286 0.5000-0.0000 ( 7096 PWs) bands (ev): -7.8739 -7.8739 -7.8254 -7.8254 -7.8029 -7.8029 -7.7608 -7.7608 -7.1822 -7.1822 -7.0985 -7.0985 -6.9512 -6.9512 -6.8831 -6.8831 -6.6370 -6.6370 -6.6113 -6.6113 -6.3731 -6.3731 -6.3466 -6.3466 -5.8103 -5.8103 -5.7740 -5.7740 -3.7272 -3.7272 -3.7122 -3.7122 -2.5928 -2.5928 -2.5766 -2.5766 -1.6203 -1.6203 -1.5887 -1.5887 -1.3955 -1.3955 -1.3668 -1.3668 -0.4806 -0.4806 -0.4717 -0.4717 -0.3702 -0.3702 -0.3593 -0.3593 5.2310 5.2310 5.2435 5.2435 6.6502 6.6502 6.6750 6.6750 7.5805 7.5805 k = 0.4464 0.5000-0.0000 ( 7098 PWs) bands (ev): -7.8651 -7.8651 -7.8202 -7.8202 -7.8089 -7.8089 -7.7691 -7.7691 -7.1716 -7.1716 -7.1084 -7.1084 -6.9407 -6.9407 -6.8896 -6.8896 -6.6332 -6.6332 -6.6137 -6.6137 -6.3640 -6.3640 -6.3434 -6.3434 -5.8164 -5.8164 -5.7880 -5.7880 -3.7253 -3.7253 -3.7139 -3.7139 -2.6008 -2.6008 -2.5885 -2.5885 -1.5979 -1.5979 -1.5675 -1.5675 -1.4227 -1.4227 -1.3945 -1.3945 -0.4635 -0.4635 -0.4557 -0.4557 -0.3681 -0.3681 -0.3587 -0.3587 5.2394 5.2394 5.2489 5.2489 6.6797 6.6797 6.6998 6.6998 7.5533 7.5534 k = 0.4643 0.5000-0.0000 ( 7100 PWs) bands (ev): -7.8563 -7.8563 -7.8230 -7.8230 -7.8070 -7.8070 -7.7772 -7.7772 -7.1610 -7.1610 -7.1187 -7.1187 -6.9308 -6.9308 -6.8966 -6.8966 -6.6295 -6.6295 -6.6164 -6.6164 -6.3562 -6.3562 -6.3421 -6.3421 -5.8194 -5.8194 -5.7999 -5.7999 -3.7233 -3.7233 -3.7155 -3.7155 -2.6062 -2.6062 -2.5979 -2.5979 -1.5749 -1.5749 -1.5469 -1.5469 -1.4476 -1.4476 -1.4211 -1.4211 -0.4498 -0.4498 -0.4437 -0.4437 -0.3670 -0.3670 -0.3599 -0.3599 5.2461 5.2461 5.2525 5.2525 6.7032 6.7032 6.7175 6.7175 7.5341 7.5342 k = 0.4821 0.5000-0.0000 ( 7096 PWs) bands (ev): -7.8476 -7.8476 -7.8306 -7.8306 -7.8004 -7.8004 -7.7852 -7.7852 -7.1503 -7.1503 -7.1291 -7.1291 -6.9213 -6.9213 -6.9043 -6.9043 -6.6259 -6.6259 -6.6193 -6.6193 -6.3499 -6.3499 -6.3427 -6.3427 -5.8192 -5.8192 -5.8093 -5.8093 -3.7212 -3.7212 -3.7173 -3.7173 -2.6086 -2.6086 -2.6044 -2.6044 -1.5524 -1.5524 -1.5320 -1.5320 -1.4652 -1.4652 -1.4456 -1.4456 -0.4402 -0.4402 -0.4368 -0.4368 -0.3660 -0.3660 -0.3620 -0.3620 5.2508 5.2508 5.2540 5.2540 6.7196 6.7196 6.7270 6.7270 7.5240 7.5241 k = 0.5000 0.5000-0.0000 ( 7104 PWs) bands (ev): -7.8390 -7.8390 -7.8390 -7.8390 -7.7930 -7.7930 -7.7930 -7.7930 -7.1396 -7.1396 -7.1396 -7.1396 -6.9125 -6.9125 -6.9125 -6.9125 -6.6225 -6.6225 -6.6225 -6.6225 -6.3454 -6.3454 -6.3454 -6.3454 -5.8158 -5.8158 -5.8158 -5.8158 -3.7192 -3.7192 -3.7192 -3.7192 -2.6080 -2.6080 -2.6080 -2.6080 -1.5344 -1.5344 -1.5344 -1.5344 -1.4640 -1.4640 -1.4640 -1.4640 -0.4356 -0.4356 -0.4356 -0.4356 -0.3643 -0.3643 -0.3643 -0.3643 5.2535 5.2535 5.2535 5.2535 6.7277 6.7277 6.7277 6.7277 7.5236 7.5236 k = 0.5000 0.5000-0.0000 ( 7104 PWs) bands (ev): -7.8390 -7.8390 -7.8390 -7.8390 -7.7930 -7.7930 -7.7930 -7.7930 -7.1396 -7.1396 -7.1396 -7.1396 -6.9125 -6.9125 -6.9125 -6.9125 -6.6225 -6.6225 -6.6225 -6.6225 -6.3454 -6.3454 -6.3454 -6.3454 -5.8158 -5.8158 -5.8158 -5.8158 -3.7192 -3.7192 -3.7192 -3.7192 -2.6080 -2.6080 -2.6080 -2.6080 -1.5344 -1.5344 -1.5344 -1.5344 -1.4640 -1.4640 -1.4640 -1.4640 -0.4356 -0.4356 -0.4356 -0.4356 -0.3643 -0.3643 -0.3643 -0.3643 5.2535 5.2535 5.2535 5.2535 6.7277 6.7277 6.7277 6.7277 7.5236 7.5236 k = 0.4875 0.4875-0.0000 ( 7100 PWs) bands (ev): -7.8512 -7.8391 -7.8388 -7.8274 -7.8033 -7.7955 -7.7895 -7.7828 -7.1522 -7.1476 -7.1319 -7.1270 -6.9224 -6.9199 -6.9058 -6.9031 -6.6271 -6.6228 -6.6226 -6.6180 -6.3517 -6.3475 -6.3440 -6.3419 -5.8203 -5.8177 -5.8117 -5.8075 -3.7229 -3.7184 -3.7183 -3.7174 -2.6088 -2.6077 -2.6068 -2.6028 -1.5572 -1.5502 -1.5298 -1.5276 -1.4695 -1.4688 -1.4484 -1.4390 -0.4410 -0.4384 -0.4381 -0.4362 -0.3669 -0.3662 -0.3636 -0.3593 5.2494 5.2497 5.2551 5.2556 6.7159 6.7235 6.7265 6.7275 7.5214 7.5273 k = 0.4750 0.4750-0.0000 ( 7108 PWs) bands (ev): -7.8638 -7.8392 -7.8384 -7.8175 -7.8136 -7.7964 -7.7856 -7.7728 -7.1647 -7.1559 -7.1244 -7.1145 -6.9329 -6.9279 -6.8997 -6.8943 -6.6318 -6.6235 -6.6231 -6.6136 -6.3617 -6.3494 -6.3461 -6.3389 -5.8215 -5.8180 -5.8047 -5.7953 -3.7283 -3.7176 -3.7159 -3.7158 -2.6070 -2.6064 -2.6024 -2.5929 -1.5864 -1.5775 -1.5285 -1.5280 -1.4718 -1.4688 -1.4173 -1.4030 -0.4509 -0.4461 -0.4457 -0.4426 -0.3728 -0.3720 -0.3587 -0.3512 5.2390 5.2396 5.2589 5.2600 6.6914 6.7077 6.7217 6.7218 7.5262 7.5394 k = 0.4625 0.4625-0.0000 ( 7100 PWs) bands (ev): -7.8767 -7.8393 -7.8378 -7.8254 -7.8103 -7.7929 -7.7814 -7.7629 -7.1770 -7.1643 -7.1171 -7.1018 -6.9437 -6.9367 -6.8941 -6.8859 -6.6363 -6.6245 -6.6239 -6.6092 -6.3744 -6.3520 -6.3509 -6.3354 -5.8204 -5.8168 -5.7945 -5.7796 -3.7353 -3.7196 -3.7117 -3.7114 -2.6043 -2.6040 -2.5933 -2.5786 -1.6154 -1.6074 -1.5292 -1.5280 -1.4749 -1.4683 -1.3794 -1.3630 -0.4638 -0.4584 -0.4573 -0.4536 -0.3827 -0.3815 -0.3508 -0.3414 5.2220 5.2228 5.2652 5.2669 6.6557 6.6794 6.7129 6.7132 7.5371 7.5566 k = 0.4500 0.4500-0.0000 ( 7106 PWs) bands (ev): -7.8901 -7.8408 -7.8371 -7.8358 -7.8085 -7.7842 -7.7769 -7.7529 -7.1893 -7.1730 -7.1100 -7.0893 -6.9547 -6.9462 -6.8890 -6.8781 -6.6407 -6.6259 -6.6251 -6.6051 -6.3893 -6.3613 -6.3518 -6.3316 -5.8176 -5.8145 -5.7812 -5.7612 -3.7437 -3.7233 -3.7056 -3.7053 -2.6009 -2.6007 -2.5800 -2.5605 -1.6423 -1.6361 -1.5306 -1.5281 -1.4783 -1.4685 -1.3384 -1.3210 -0.4795 -0.4742 -0.4726 -0.4680 -0.3964 -0.3949 -0.3418 -0.3312 5.1988 5.1998 5.2738 5.2762 6.6109 6.6407 6.7003 6.7010 7.5532 7.5802 k = 0.4375 0.4375-0.0000 ( 7110 PWs) bands (ev): -7.9039 -7.8510 -7.8383 -7.8361 -7.8082 -7.7731 -7.7723 -7.7428 -7.2015 -7.1819 -7.1030 -7.0772 -6.9657 -6.9565 -6.8843 -6.8707 -6.6451 -6.6276 -6.6266 -6.6014 -6.4052 -6.3730 -6.3521 -6.3274 -5.8137 -5.8111 -5.7654 -5.7410 -3.7532 -3.7286 -3.6976 -3.6972 -2.5965 -2.5965 -2.5632 -2.5393 -1.6659 -1.6623 -1.5323 -1.5286 -1.4822 -1.4690 -1.2959 -1.2778 -0.4998 -0.4921 -0.4907 -0.4838 -0.4137 -0.4118 -0.3324 -0.3210 5.1697 5.1708 5.2845 5.2875 6.5590 6.5937 6.6840 6.6848 7.5736 7.6083 k = 0.4250 0.4250-0.0000 ( 7106 PWs) bands (ev): -7.9182 -7.8642 -7.8385 -7.8349 -7.8079 -7.7675 -7.7613 -7.7326 -7.2136 -7.1910 -7.0962 -7.0659 -6.9760 -6.9674 -6.8799 -6.8638 -6.6493 -6.6296 -6.6285 -6.5982 -6.4213 -6.3863 -6.3517 -6.3229 -5.8086 -5.8068 -5.7480 -5.7197 -3.7635 -3.7351 -3.6875 -3.6869 -2.5912 -2.5912 -2.5438 -2.5159 -1.6856 -1.6851 -1.5341 -1.5294 -1.4866 -1.4699 -1.2523 -1.2338 -0.5246 -0.5158 -0.5071 -0.5002 -0.4345 -0.4323 -0.3231 -0.3112 5.1351 5.1364 5.2968 5.3005 6.5017 6.5404 6.6635 6.6645 7.5969 7.6392 k = 0.4125 0.4125-0.0000 ( 7098 PWs) bands (ev): -7.9330 -7.8785 -7.8386 -7.8335 -7.8071 -7.7626 -7.7491 -7.7222 -7.2255 -7.2002 -7.0895 -7.0566 -6.9846 -6.9790 -6.8758 -6.8573 -6.6533 -6.6320 -6.6308 -6.5955 -6.4370 -6.4003 -6.3505 -6.3179 -5.8028 -5.8017 -5.7297 -5.6982 -3.7745 -3.7429 -3.6751 -3.6744 -2.5851 -2.5850 -2.5226 -2.4912 -1.7039 -1.7008 -1.5363 -1.5306 -1.4914 -1.4710 -1.2081 -1.1893 -0.5531 -0.5429 -0.5236 -0.5169 -0.4585 -0.4560 -0.3143 -0.3020 5.0957 5.0970 5.3104 5.3148 6.4402 6.4821 6.6387 6.6397 7.6216 7.6710 k = 0.4000 0.4000-0.0000 ( 7102 PWs) bands (ev): -7.9484 -7.8939 -7.8386 -7.8320 -7.8058 -7.7578 -7.7368 -7.7116 -7.2374 -7.2096 -7.0829 -7.0515 -6.9911 -6.9890 -6.8720 -6.8512 -6.6572 -6.6346 -6.6334 -6.5937 -6.4518 -6.4147 -6.3484 -6.3126 -5.7961 -5.7959 -5.7115 -5.6773 -3.7861 -3.7517 -3.6602 -3.6593 -2.5781 -2.5780 -2.5005 -2.4662 -1.7184 -1.7110 -1.5388 -1.5323 -1.4965 -1.4722 -1.1636 -1.1446 -0.5843 -0.5727 -0.5404 -0.5341 -0.4857 -0.4829 -0.3060 -0.2934 5.0518 5.0532 5.3247 5.3299 6.3758 6.4203 6.6093 6.6104 7.6458 7.7007 k = 0.3875 0.3875-0.0000 ( 7094 PWs) bands (ev): -7.9643 -7.9101 -7.8386 -7.8302 -7.8040 -7.7528 -7.7241 -7.7008 -7.2491 -7.2191 -7.0763 -7.0528 -7.0036 -6.9872 -6.8684 -6.8454 -6.6610 -6.6374 -6.6362 -6.5927 -6.4651 -6.4289 -6.3453 -6.3068 -5.7892 -5.7887 -5.6940 -5.6574 -3.7981 -3.7615 -3.6428 -3.6416 -2.5701 -2.5700 -2.4786 -2.4419 -1.7281 -1.7161 -1.5417 -1.5345 -1.5017 -1.4729 -1.1190 -1.1000 -0.6177 -0.6046 -0.5573 -0.5514 -0.5156 -0.5126 -0.2983 -0.2854 5.0041 5.0054 5.3392 5.3452 6.3094 6.3559 6.5755 6.5765 7.6672 7.7253 k = 0.3750 0.3750-0.0000 ( 7102 PWs) bands (ev): -7.9809 -7.9274 -7.8385 -7.8282 -7.8017 -7.7479 -7.7114 -7.6899 -7.2606 -7.2287 -7.0700 -7.0598 -7.0163 -6.9794 -6.8649 -6.8400 -6.6647 -6.6404 -6.6395 -6.5928 -6.4769 -6.4427 -6.3411 -6.3005 -5.7820 -5.7807 -5.6779 -5.6390 -3.8107 -3.7724 -3.6226 -3.6211 -2.5613 -2.5612 -2.4577 -2.4192 -1.7331 -1.7160 -1.5450 -1.5373 -1.5065 -1.4728 -1.0744 -1.0557 -0.6525 -0.6379 -0.5743 -0.5690 -0.5481 -0.5448 -0.2913 -0.2782 4.9530 4.9543 5.3534 5.3603 6.2418 6.2900 6.5372 6.5381 7.6838 7.7421 k = 0.3625 0.3625-0.0000 ( 7106 PWs) bands (ev): -7.9981 -7.9456 -7.8381 -7.8261 -7.7991 -7.7430 -7.6985 -7.6791 -7.2719 -7.2382 -7.0703 -7.0641 -7.0285 -6.9681 -6.8616 -6.8349 -6.6683 -6.6436 -6.6430 -6.5938 -6.4870 -6.4558 -6.3358 -6.2937 -5.7741 -5.7719 -5.6635 -5.6225 -3.8239 -3.7843 -3.5995 -3.5977 -2.5517 -2.5515 -2.4382 -2.3988 -1.7340 -1.7116 -1.5488 -1.5405 -1.5100 -1.4711 -1.0302 -1.0118 -0.6880 -0.6717 -0.5912 -0.5882 -0.5812 -0.5794 -0.2851 -0.2718 4.8990 4.9002 5.3667 5.3745 6.1739 6.2232 6.4946 6.4954 7.6939 7.7497 k = 0.3500 0.3500-0.0000 ( 7102 PWs) bands (ev): -8.0159 -7.9647 -7.8376 -7.8237 -7.7960 -7.7380 -7.6855 -7.6684 -7.2828 -7.2477 -7.0823 -7.0603 -7.0385 -6.9550 -6.8584 -6.8299 -6.6718 -6.6467 -6.6466 -6.5958 -6.4954 -6.4681 -6.3293 -6.2863 -5.7658 -5.7626 -5.6510 -5.6079 -3.8379 -3.7975 -3.5735 -3.5712 -2.5413 -2.5410 -2.4207 -2.3812 -1.7318 -1.7044 -1.5532 -1.5442 -1.5109 -1.4664 -0.9865 -0.9687 -0.7236 -0.7055 -0.6212 -0.6163 -0.6077 -0.6023 -0.2794 -0.2660 4.8424 4.8435 5.3785 5.3871 6.1063 6.1563 6.4480 6.4486 7.6969 7.7481 k = 0.3375 0.3375-0.0000 ( 7098 PWs) bands (ev): -8.0343 -7.9847 -7.8368 -7.8212 -7.7927 -7.7330 -7.6725 -7.6578 -7.2933 -7.2571 -7.0950 -7.0639 -7.0408 -6.9409 -6.8552 -6.8252 -6.6752 -6.6505 -6.6499 -6.5986 -6.5022 -6.4796 -6.3216 -6.2781 -5.7570 -5.7528 -5.6407 -5.5954 -3.8529 -3.8120 -3.5446 -3.5417 -2.5301 -2.5298 -2.4052 -2.3665 -1.7282 -1.6972 -1.5583 -1.5484 -1.5066 -1.4573 -0.9434 -0.9268 -0.7584 -0.7381 -0.6596 -0.6546 -0.6242 -0.6196 -0.2745 -0.2610 4.7838 4.7848 5.3881 5.3976 6.0399 6.0902 6.3979 6.3983 7.6930 7.7384 k = 0.3250 0.3250-0.0000 ( 7102 PWs) bands (ev): -8.0532 -8.0054 -7.8358 -7.8186 -7.7892 -7.7281 -7.6593 -7.6476 -7.3032 -7.2664 -7.1080 -7.0742 -7.0360 -6.9263 -6.8521 -6.8208 -6.6785 -6.6545 -6.6529 -6.6021 -6.5079 -6.4903 -6.3126 -6.2693 -5.7479 -5.7426 -5.6327 -5.5850 -3.8691 -3.8281 -3.5128 -3.5092 -2.5182 -2.5178 -2.3917 -2.3546 -1.7256 -1.6933 -1.5642 -1.5532 -1.4944 -1.4422 -0.9013 -0.8871 -0.7917 -0.7680 -0.6996 -0.6943 -0.6403 -0.6362 -0.2703 -0.2567 4.7235 4.7244 5.3948 5.4050 5.9754 6.0255 6.3447 6.3449 7.6830 7.7224 k = 0.3125 0.3125-0.0000 ( 7106 PWs) bands (ev): -8.0726 -8.0269 -7.8346 -7.8159 -7.7855 -7.7232 -7.6462 -7.6377 -7.3124 -7.2755 -7.1209 -7.0861 -7.0290 -6.9114 -6.8490 -6.8165 -6.6817 -6.6586 -6.6558 -6.6061 -6.5127 -6.5003 -6.3024 -6.2596 -5.7385 -5.7320 -5.6267 -5.5766 -3.8868 -3.8459 -3.4784 -3.4740 -2.5055 -2.5051 -2.3798 -2.3452 -1.7259 -1.6954 -1.5711 -1.5590 -1.4719 -1.4197 -0.8603 -0.8542 -0.8230 -0.7904 -0.7407 -0.7349 -0.6560 -0.6524 -0.2667 -0.2532 4.6618 4.6626 5.3980 5.4086 5.9137 5.9629 6.2890 6.2891 7.6681 7.7016 k = 0.3000 0.3000-0.0000 ( 7110 PWs) bands (ev): -8.0924 -8.0488 -7.8331 -7.8130 -7.7816 -7.7184 -7.6330 -7.6284 -7.3209 -7.2844 -7.1337 -7.0981 -7.0212 -6.8966 -6.8458 -6.8123 -6.6849 -6.6627 -6.6585 -6.6103 -6.5169 -6.5095 -6.2911 -6.2490 -5.7290 -5.7212 -5.6226 -5.5698 -3.9062 -3.8657 -3.4415 -3.4361 -2.4923 -2.4918 -2.3693 -2.3378 -1.7303 -1.7038 -1.5789 -1.5658 -1.4395 -1.3893 -0.8520 -0.8481 -0.8214 -0.7895 -0.7777 -0.7749 -0.6712 -0.6680 -0.2638 -0.2503 4.5990 4.5998 5.3969 5.4073 5.8557 5.9032 6.2312 6.2314 7.6496 7.6777 k = 0.2875 0.2875-0.0000 ( 7118 PWs) bands (ev): -8.1125 -8.0712 -7.8315 -7.8100 -7.7777 -7.7137 -7.6200 -7.6198 -7.3285 -7.2931 -7.1462 -7.1099 -7.0127 -6.8820 -6.8424 -6.8083 -6.6879 -6.6667 -6.6609 -6.6147 -6.5205 -6.5181 -6.2786 -6.2375 -5.7196 -5.7105 -5.6202 -5.5645 -3.9275 -3.8876 -3.4025 -3.3959 -2.4785 -2.4779 -2.3598 -2.3321 -1.7392 -1.7178 -1.5877 -1.5737 -1.3986 -1.3516 -0.8774 -0.8653 -0.8264 -0.8226 -0.7767 -0.7524 -0.6857 -0.6830 -0.2615 -0.2481 4.5354 4.5362 5.3910 5.4003 5.8024 5.8470 6.1720 6.1724 7.6284 7.6517 k = 0.2750 0.2750-0.0000 ( 7104 PWs) bands (ev): -8.1329 -8.0939 -7.8295 -7.8069 -7.7737 -7.7093 -7.6118 -7.6070 -7.3349 -7.3014 -7.1582 -7.1213 -7.0036 -6.8680 -6.8385 -6.8044 -6.6908 -6.6707 -6.6628 -6.6191 -6.5261 -6.5238 -6.2650 -6.2249 -5.7102 -5.7000 -5.6189 -5.5602 -3.9509 -3.9116 -3.3615 -3.3537 -2.4642 -2.4634 -2.3511 -2.3275 -1.7522 -1.7358 -1.5975 -1.5827 -1.3514 -1.3077 -0.8998 -0.8849 -0.8687 -0.8625 -0.7409 -0.7177 -0.6994 -0.6970 -0.2597 -0.2464 4.4713 4.4721 5.3795 5.3869 5.7545 5.7949 6.1120 6.1127 7.6055 7.6246 k = 0.2625 0.2625-0.0000 ( 7100 PWs) bands (ev): -8.1533 -8.1167 -7.8274 -7.8037 -7.7696 -7.7051 -7.6046 -7.5941 -7.3404 -7.3094 -7.1698 -7.1323 -6.9940 -6.8552 -6.8339 -6.8006 -6.6937 -6.6747 -6.6644 -6.6236 -6.5336 -6.5270 -6.2504 -6.2113 -5.7011 -5.6901 -5.6182 -5.5566 -3.9764 -3.9380 -3.3190 -3.3097 -2.4494 -2.4484 -2.3430 -2.3239 -1.7685 -1.7566 -1.6083 -1.5929 -1.2996 -1.2591 -0.9210 -0.9122 -0.9010 -0.9008 -0.7152 -0.7117 -0.7021 -0.6814 -0.2585 -0.2453 4.4068 4.4077 5.3624 5.3666 5.7124 5.7472 6.0518 6.0528 7.5812 7.5967 k = 0.2500 0.2500-0.0000 ( 7106 PWs) bands (ev): -8.1738 -8.1395 -7.8250 -7.8004 -7.7656 -7.7012 -7.5981 -7.5815 -7.3447 -7.3172 -7.1810 -7.1431 -6.9840 -6.8449 -6.8273 -6.7969 -6.6966 -6.6785 -6.6656 -6.6281 -6.5407 -6.5300 -6.2349 -6.1966 -5.6925 -5.6814 -5.6172 -5.5534 -4.0042 -3.9667 -3.2752 -3.2644 -2.4344 -2.4330 -2.3355 -2.3211 -1.7873 -1.7793 -1.6201 -1.6043 -1.2449 -1.2074 -0.9540 -0.9528 -0.9236 -0.9147 -0.7262 -0.7244 -0.6687 -0.6474 -0.2577 -0.2448 4.3424 4.3433 5.3397 5.3398 5.6759 5.7040 5.9918 5.9931 7.5557 7.5683 k = 0.2375 0.2375-0.0000 ( 7116 PWs) bands (ev): -8.1942 -8.1622 -7.8224 -7.7971 -7.7616 -7.6978 -7.5924 -7.5692 -7.3481 -7.3246 -7.1918 -7.1534 -6.9736 -6.8379 -6.8181 -6.7932 -6.6994 -6.6823 -6.6664 -6.6326 -6.5475 -6.5330 -6.2187 -6.1809 -5.6844 -5.6746 -5.6149 -5.5499 -4.0343 -3.9978 -3.2307 -3.2182 -2.4191 -2.4173 -2.3286 -2.3191 -1.8078 -1.8030 -1.6329 -1.6168 -1.1886 -1.1544 -0.9953 -0.9924 -0.9325 -0.9237 -0.7378 -0.7364 -0.6354 -0.6145 -0.2573 -0.2447 4.2781 4.2791 5.3077 5.3120 5.6439 5.6648 5.9325 5.9341 7.5290 7.5394 k = 0.2250 0.2250-0.0000 ( 7122 PWs) bands (ev): -8.2143 -8.1846 -7.8197 -7.7937 -7.7578 -7.6949 -7.5873 -7.5572 -7.3503 -7.3316 -7.2021 -7.1634 -6.9627 -6.8330 -6.8076 -6.7897 -6.7021 -6.6860 -6.6665 -6.6371 -6.5540 -6.5360 -6.2018 -6.1642 -5.6769 -5.6704 -5.6105 -5.5460 -4.0667 -4.0312 -3.1855 -3.1713 -2.4038 -2.4013 -2.3226 -2.3177 -1.8292 -1.8270 -1.6468 -1.6305 -1.1328 -1.1028 -1.0355 -1.0323 -0.9327 -0.9272 -0.7488 -0.7477 -0.6035 -0.5830 -0.2574 -0.2451 4.2141 4.2153 5.2718 5.2803 5.6152 5.6288 5.8743 5.8764 7.5010 7.5096 k = 0.2125 0.2125-0.0000 ( 7130 PWs) bands (ev): -8.2340 -8.2065 -7.8167 -7.7902 -7.7540 -7.6926 -7.5826 -7.5456 -7.3515 -7.3382 -7.2118 -7.1731 -6.9514 -6.8290 -6.7971 -6.7861 -6.7048 -6.6895 -6.6662 -6.6415 -6.5603 -6.5389 -6.1844 -6.1465 -5.6701 -5.6686 -5.6038 -5.5413 -4.1013 -4.0668 -3.1403 -3.1241 -2.3888 -2.3853 -2.3175 -2.3169 -1.8509 -1.8507 -1.6615 -1.6453 -1.0854 -1.0715 -1.0692 -1.0570 -0.9230 -0.9218 -0.7589 -0.7581 -0.5732 -0.5530 -0.2577 -0.2458 4.1508 4.1521 5.2337 5.2460 5.5885 5.5952 5.8177 5.8202 7.4713 7.4788 k = 0.2000 0.2000-0.0000 ( 7134 PWs) bands (ev): -8.2533 -8.2279 -7.8136 -7.7867 -7.7504 -7.6909 -7.5783 -7.5345 -7.3520 -7.3444 -7.2211 -7.1825 -6.9398 -6.8253 -6.7873 -6.7826 -6.7074 -6.6930 -6.6653 -6.6458 -6.5662 -6.5417 -6.1667 -6.1281 -5.6683 -5.6636 -5.5951 -5.5357 -4.1379 -4.1044 -3.0952 -3.0771 -2.3745 -2.3694 -2.3163 -2.3132 -1.8737 -1.8723 -1.6771 -1.6611 -1.1140 -1.1092 -1.0338 -1.0229 -0.9067 -0.8949 -0.7683 -0.7678 -0.5446 -0.5247 -0.2583 -0.2468 4.0883 4.0897 5.1947 5.2101 5.5628 5.5632 5.7629 5.7660 7.4399 7.4466 k = 0.1875 0.1875-0.0000 ( 7136 PWs) bands (ev): -8.2719 -8.2486 -7.8103 -7.7833 -7.7470 -7.6900 -7.5742 -7.5240 -7.3516 -7.3499 -7.2299 -7.1915 -6.9279 -6.8217 -6.7790 -6.7784 -6.7100 -6.6964 -6.6640 -6.6502 -6.5719 -6.5445 -6.1489 -6.1093 -5.6685 -5.6574 -5.5853 -5.5292 -4.1765 -4.1439 -3.0506 -3.0305 -2.3620 -2.3540 -2.3149 -2.3098 -1.8958 -1.8931 -1.6934 -1.6778 -1.1497 -1.1455 -1.0029 -1.0010 -0.8740 -0.8524 -0.7770 -0.7766 -0.5177 -0.4980 -0.2591 -0.2482 4.0269 4.0283 5.1560 5.1737 5.5321 5.5373 5.7102 5.7140 7.4066 7.4127 k = 0.1750 0.1750-0.0000 ( 7128 PWs) bands (ev): -8.2898 -8.2685 -7.8068 -7.7798 -7.7438 -7.6897 -7.5700 -7.5142 -7.3549 -7.3507 -7.2381 -7.2004 -6.9158 -6.8181 -6.7754 -6.7705 -6.7125 -6.6997 -6.6623 -6.6544 -6.5773 -6.5473 -6.1312 -6.0904 -5.6683 -5.6511 -5.5748 -5.5218 -4.2168 -4.1850 -3.0067 -2.9847 -2.3532 -2.3402 -2.3110 -2.3062 -1.9167 -1.9132 -1.7103 -1.6952 -1.1839 -1.1801 -0.9857 -0.9832 -0.8274 -0.8007 -0.7848 -0.7846 -0.4926 -0.4730 -0.2600 -0.2497 3.9667 3.9683 5.1183 5.1376 5.5018 5.5117 5.6601 5.6645 7.3715 7.3771 k = 0.1625 0.1625-0.0000 ( 7130 PWs) bands (ev): -8.3069 -8.2875 -7.8032 -7.7763 -7.7410 -7.6903 -7.5659 -7.5052 -7.3590 -7.3492 -7.2459 -7.2090 -6.9037 -6.8146 -6.7719 -6.7638 -6.7150 -6.7030 -6.6604 -6.6587 -6.5823 -6.5500 -6.1139 -6.0719 -5.6668 -5.6443 -5.5641 -5.5136 -4.2585 -4.2274 -2.9640 -2.9400 -2.3494 -2.3297 -2.3028 -2.3005 -1.9365 -1.9326 -1.7277 -1.7132 -1.2162 -1.2128 -0.9724 -0.9686 -0.7920 -0.7919 -0.7740 -0.7453 -0.4693 -0.4498 -0.2611 -0.2514 3.9081 3.9098 5.0822 5.1026 5.4720 5.4860 5.6128 5.6178 7.3348 7.3400 k = 0.1500 0.1500-0.0000 ( 7130 PWs) bands (ev): -8.3230 -8.3055 -7.7995 -7.7729 -7.7383 -7.6915 -7.5615 -7.4973 -7.3623 -7.3474 -7.2533 -7.2176 -6.8915 -6.8110 -6.7683 -6.7581 -6.7173 -6.7062 -6.6629 -6.6585 -6.5869 -6.5527 -6.0973 -6.0542 -5.6633 -5.6368 -5.5533 -5.5049 -4.3012 -4.2709 -2.9226 -2.8968 -2.3496 -2.3246 -2.2914 -2.2907 -1.9554 -1.9513 -1.7451 -1.7314 -1.2465 -1.2435 -0.9593 -0.9554 -0.7984 -0.7984 -0.7186 -0.6891 -0.4477 -0.4283 -0.2622 -0.2532 3.8514 3.8531 5.0481 5.0689 5.4430 5.4603 5.5684 5.5741 7.2969 7.3016 k = 0.1375 0.1375-0.0000 ( 7130 PWs) bands (ev): -8.3382 -8.3224 -7.7956 -7.7695 -7.7359 -7.6934 -7.5570 -7.4906 -7.3645 -7.3453 -7.2602 -7.2260 -6.8795 -6.8074 -6.7647 -6.7535 -6.7195 -6.7094 -6.6670 -6.6569 -6.5909 -6.5554 -6.0816 -6.0378 -5.6572 -5.6281 -5.5429 -5.4958 -4.3446 -4.3151 -2.8831 -2.8556 -2.3515 -2.3231 -2.2783 -2.2778 -1.9738 -1.9696 -1.7625 -1.7498 -1.2747 -1.2720 -0.9455 -0.9422 -0.8042 -0.8041 -0.6634 -0.6337 -0.4280 -0.4085 -0.2633 -0.2551 3.7969 3.7985 5.0162 5.0370 5.4149 5.4348 5.5274 5.5336 7.2584 7.2625 k = 0.1250 0.1250-0.0000 ( 7146 PWs) bands (ev): -8.3523 -8.3381 -7.7915 -7.7662 -7.7338 -7.6959 -7.5523 -7.4854 -7.3656 -7.3431 -7.2667 -7.2344 -6.8677 -6.8037 -6.7612 -6.7499 -6.7214 -6.7125 -6.6711 -6.6561 -6.5942 -6.5581 -6.0670 -6.0234 -5.6483 -5.6183 -5.5328 -5.4865 -4.3882 -4.3594 -2.8457 -2.8168 -2.3536 -2.3230 -2.2649 -2.2640 -1.9920 -1.9878 -1.7796 -1.7678 -1.3007 -1.2985 -0.9312 -0.9286 -0.8093 -0.8092 -0.6099 -0.5801 -0.4100 -0.3903 -0.2642 -0.2571 3.7448 3.7465 4.9867 5.0071 5.3882 5.4097 5.4898 5.4964 7.2198 7.2234 k = 0.1125 0.1125-0.0000 ( 7169 PWs) bands (ev): -8.3652 -8.3526 -7.7875 -7.7630 -7.7320 -7.6989 -7.5475 -7.4816 -7.3653 -7.3406 -7.2729 -7.2427 -6.8563 -6.8002 -6.7576 -6.7474 -6.7230 -6.7155 -6.6751 -6.6561 -6.5967 -6.5609 -6.0537 -6.0112 -5.6363 -5.6073 -5.5231 -5.4772 -4.4315 -4.4035 -2.8108 -2.7811 -2.3545 -2.3227 -2.2518 -2.2502 -2.0103 -2.0061 -1.7962 -1.7854 -1.3245 -1.3227 -0.9165 -0.9146 -0.8138 -0.8137 -0.5591 -0.5291 -0.3938 -0.3737 -0.2651 -0.2589 3.6958 3.6973 4.9597 4.9792 5.3632 5.3854 5.4560 5.4627 7.1820 7.1849 k = 0.1000 0.1000-0.0000 ( 7171 PWs) bands (ev): -8.3768 -8.3658 -7.7833 -7.7600 -7.7305 -7.7021 -7.5425 -7.4794 -7.3635 -7.3381 -7.2786 -7.2509 -6.8452 -6.7965 -6.7542 -6.7460 -6.7239 -6.7183 -6.6788 -6.6573 -6.5980 -6.5635 -6.0417 -6.0013 -5.6214 -5.5953 -5.5139 -5.4680 -4.4737 -4.4468 -2.7787 -2.7488 -2.3533 -2.3211 -2.2393 -2.2369 -2.0291 -2.0246 -1.8117 -1.8021 -1.3460 -1.3446 -0.9018 -0.9005 -0.8178 -0.8176 -0.5119 -0.4815 -0.3791 -0.3585 -0.2657 -0.2607 3.6500 3.6515 4.9354 4.9537 5.3402 5.3622 5.4260 5.4325 7.1455 7.1479 k = 0.0875 0.0875-0.0000 ( 7169 PWs) bands (ev): -8.3872 -8.3777 -7.7790 -7.7571 -7.7293 -7.7056 -7.5372 -7.4787 -7.3604 -7.3354 -7.2839 -7.2591 -6.8346 -6.7929 -6.7510 -6.7457 -6.7241 -6.7207 -6.6824 -6.6596 -6.5982 -6.5661 -6.0312 -5.9939 -5.6042 -5.5826 -5.5051 -5.4591 -4.5143 -4.4886 -2.7500 -2.7208 -2.3491 -2.3176 -2.2279 -2.2246 -2.0485 -2.0435 -1.8261 -1.8176 -1.3652 -1.3642 -0.8875 -0.8867 -0.8211 -0.8210 -0.4691 -0.4383 -0.3659 -0.3446 -0.2660 -0.2624 3.6081 3.6095 4.9139 4.9306 5.3196 5.3404 5.4000 5.4059 7.1113 7.1131 k = 0.0750 0.0750-0.0000 ( 7161 PWs) bands (ev): -8.3961 -8.3881 -7.7747 -7.7545 -7.7284 -7.7093 -7.5319 -7.4794 -7.3561 -7.3326 -7.2889 -7.2672 -6.8246 -6.7893 -6.7483 -6.7464 -6.7236 -6.7224 -6.6858 -6.6629 -6.5975 -6.5686 -6.0220 -5.9887 -5.5856 -5.5698 -5.4966 -5.4508 -4.5522 -4.5282 -2.7248 -2.6974 -2.3414 -2.3115 -2.2179 -2.2134 -2.0686 -2.0628 -1.8391 -1.8318 -1.3821 -1.3813 -0.8740 -0.8737 -0.8240 -0.8239 -0.4316 -0.4005 -0.3534 -0.3317 -0.2658 -0.2638 3.5705 3.5717 4.8951 4.9099 5.3015 5.3203 5.3780 5.3829 7.0800 7.0813 k = 0.0625 0.0625-0.0000 ( 7167 PWs) bands (ev): -8.4037 -8.3971 -7.7704 -7.7523 -7.7277 -7.7130 -7.5266 -7.4812 -7.3508 -7.3298 -7.2936 -7.2753 -6.8154 -6.7860 -6.7479 -6.7466 -6.7231 -6.7225 -6.6888 -6.6672 -6.5961 -6.5713 -6.0141 -5.9855 -5.5670 -5.5574 -5.4881 -5.4435 -4.5866 -4.5648 -2.7035 -2.6788 -2.3298 -2.3028 -2.2096 -2.2037 -2.0894 -2.0822 -1.8504 -1.8443 -1.3965 -1.3960 -0.8619 -0.8618 -0.8263 -0.8262 -0.4006 -0.3710 -0.3396 -0.3195 -0.2651 -0.2649 3.5377 3.5387 4.8792 4.8919 5.2862 5.3025 5.3597 5.3636 7.0522 7.0532 k = 0.0500 0.0500-0.0000 ( 7173 PWs) bands (ev): -8.4099 -8.4046 -7.7663 -7.7507 -7.7274 -7.7167 -7.5213 -7.4840 -7.3447 -7.3269 -7.2980 -7.2833 -6.8069 -6.7832 -6.7498 -6.7463 -6.7223 -6.7211 -6.6914 -6.6720 -6.5942 -6.5739 -6.0073 -5.9840 -5.5500 -5.5461 -5.4792 -5.4376 -4.6164 -4.5975 -2.6859 -2.6652 -2.3145 -2.2913 -2.2035 -2.1961 -2.1103 -2.1014 -1.8598 -1.8549 -1.4085 -1.4082 -0.8514 -0.8514 -0.8282 -0.8281 -0.3765 -0.3531 -0.3218 -0.3081 -0.2656 -0.2637 3.5101 3.5109 4.8663 4.8767 5.2739 5.2871 5.3451 5.3480 7.0286 7.0292 k = 0.0375 0.0375-0.0000 ( 7157 PWs) bands (ev): -8.4145 -8.4106 -7.7621 -7.7495 -7.7270 -7.7199 -7.5159 -7.4874 -7.3381 -7.3239 -7.3021 -7.2912 -6.7992 -6.7809 -6.7515 -6.7471 -6.7205 -6.7196 -6.6933 -6.6771 -6.5920 -6.5765 -6.0015 -5.9837 -5.5364 -5.5363 -5.4692 -5.4336 -4.6404 -4.6252 -2.6720 -2.6559 -2.2962 -2.2775 -2.2005 -2.1914 -2.1302 -2.1194 -1.8672 -1.8635 -1.4179 -1.4177 -0.8430 -0.8429 -0.8297 -0.8296 -0.3593 -0.3441 -0.3035 -0.2980 -0.2653 -0.2615 3.4881 3.4888 4.8564 4.8644 5.2645 5.2745 5.3340 5.3360 7.0097 7.0101 k = 0.0250 0.0250-0.0000 ( 7149 PWs) bands (ev): -8.4177 -8.4151 -7.7582 -7.7493 -7.7268 -7.7226 -7.5107 -7.4914 -7.3310 -7.3210 -7.3059 -7.2991 -6.7926 -6.7799 -6.7527 -6.7487 -6.7183 -6.7180 -6.6942 -6.6823 -6.5896 -6.5791 -5.9965 -5.9846 -5.5288 -5.5270 -5.4585 -5.4324 -4.6575 -4.6469 -2.6616 -2.6506 -2.2760 -2.2624 -2.2014 -2.1925 -2.1458 -2.1348 -1.8724 -1.8700 -1.4247 -1.4246 -0.8367 -0.8366 -0.8307 -0.8306 -0.3480 -0.3393 -0.2904 -0.2904 -0.2635 -0.2587 3.4722 3.4727 4.8497 4.8551 5.2582 5.2649 5.3262 5.3274 6.9959 6.9961 k = 0.0125 0.0125-0.0000 ( 7139 PWs) bands (ev): -8.4194 -8.4181 -7.7548 -7.7501 -7.7265 -7.7246 -7.5055 -7.4958 -7.3239 -7.3182 -7.3092 -7.3064 -6.7870 -6.7805 -6.7530 -6.7506 -6.7168 -6.7166 -6.6935 -6.6870 -6.5870 -6.5818 -5.9924 -5.9864 -5.5236 -5.5222 -5.4482 -5.4344 -4.6671 -4.6615 -2.6544 -2.6488 -2.2561 -2.2483 -2.2066 -2.2016 -2.1526 -2.1458 -1.8753 -1.8741 -1.4288 -1.4287 -0.8329 -0.8328 -0.8312 -0.8311 -0.3413 -0.3374 -0.2856 -0.2844 -0.2599 -0.2567 3.4626 3.4628 4.8462 4.8489 5.2551 5.2585 5.3217 5.3222 6.9874 6.9875 k = 0.0000 0.0000 0.0000 ( 7133 PWs) bands (ev): -8.4195 -8.4195 -7.7520 -7.7520 -7.7258 -7.7258 -7.5005 -7.5005 -7.3181 -7.3181 -7.3110 -7.3110 -6.7829 -6.7829 -6.7521 -6.7521 -6.7162 -6.7162 -6.6910 -6.6910 -6.5844 -6.5844 -5.9890 -5.9890 -5.5213 -5.5213 -5.4398 -5.4398 -4.6684 -4.6684 -2.6501 -2.6501 -2.2431 -2.2431 -2.2104 -2.2104 -2.1518 -2.1518 -1.8759 -1.8759 -1.4301 -1.4301 -0.8318 -0.8318 -0.8311 -0.8311 -0.3379 -0.3379 -0.2835 -0.2835 -0.2570 -0.2570 3.4594 3.4594 4.8459 4.8459 5.2552 5.2552 5.3203 5.3203 6.9846 6.9846 k = 0.0000 0.0000 0.0000 ( 7133 PWs) bands (ev): -8.4195 -8.4195 -7.7520 -7.7520 -7.7258 -7.7258 -7.5005 -7.5005 -7.3181 -7.3181 -7.3110 -7.3110 -6.7829 -6.7829 -6.7521 -6.7521 -6.7162 -6.7162 -6.6910 -6.6910 -6.5844 -6.5844 -5.9890 -5.9890 -5.5213 -5.5213 -5.4398 -5.4398 -4.6684 -4.6684 -2.6501 -2.6501 -2.2431 -2.2431 -2.2104 -2.2104 -2.1518 -2.1518 -1.8759 -1.8759 -1.4301 -1.4301 -0.8318 -0.8318 -0.8311 -0.8311 -0.3379 -0.3379 -0.2835 -0.2835 -0.2570 -0.2570 3.4594 3.4594 4.8459 4.8459 5.2552 5.2552 5.3203 5.3203 6.9846 6.9846 k = 0.0000 0.0000 0.0178 ( 7145 PWs) bands (ev): -8.4187 -8.4187 -7.7522 -7.7522 -7.7258 -7.7258 -7.5013 -7.5013 -7.3175 -7.3175 -7.3109 -7.3109 -6.7836 -6.7836 -6.7525 -6.7525 -6.7159 -6.7159 -6.6909 -6.6909 -6.5842 -6.5842 -5.9921 -5.9921 -5.5210 -5.5210 -5.4397 -5.4397 -4.6642 -4.6642 -2.6518 -2.6518 -2.2417 -2.2417 -2.2106 -2.2106 -2.1521 -2.1521 -1.8755 -1.8755 -1.4306 -1.4306 -0.8316 -0.8316 -0.8309 -0.8309 -0.3405 -0.3405 -0.2842 -0.2842 -0.2578 -0.2578 3.4634 3.4634 4.8473 4.8473 5.2581 5.2581 5.3232 5.3232 6.9854 6.9854 k = 0.0000 0.0000 0.0356 ( 7145 PWs) bands (ev): -8.4162 -8.4162 -7.7530 -7.7530 -7.7257 -7.7257 -7.5035 -7.5035 -7.3157 -7.3157 -7.3105 -7.3105 -6.7856 -6.7856 -6.7537 -6.7537 -6.7150 -6.7150 -6.6906 -6.6906 -6.5837 -6.5837 -6.0015 -6.0015 -5.5201 -5.5201 -5.4394 -5.4394 -4.6518 -4.6518 -2.6568 -2.6568 -2.2376 -2.2376 -2.2112 -2.2112 -2.1530 -2.1530 -1.8744 -1.8744 -1.4322 -1.4322 -0.8308 -0.8308 -0.8301 -0.8301 -0.3483 -0.3483 -0.2861 -0.2861 -0.2601 -0.2601 3.4752 3.4752 4.8514 4.8514 5.2667 5.2667 5.3317 5.3317 6.9876 6.9876 k = 0.0000 0.0000 0.0534 ( 7153 PWs) bands (ev): -8.4122 -8.4122 -7.7544 -7.7544 -7.7255 -7.7255 -7.5071 -7.5071 -7.3127 -7.3127 -7.3098 -7.3098 -6.7888 -6.7888 -6.7559 -6.7559 -6.7135 -6.7135 -6.6900 -6.6900 -6.5829 -6.5829 -6.0165 -6.0165 -5.5187 -5.5187 -5.4388 -5.4388 -4.6316 -4.6316 -2.6650 -2.6650 -2.2308 -2.2308 -2.2123 -2.2123 -2.1544 -2.1544 -1.8725 -1.8725 -1.4347 -1.4347 -0.8295 -0.8295 -0.8288 -0.8288 -0.3613 -0.3613 -0.2892 -0.2892 -0.2639 -0.2639 3.4948 3.4948 4.8582 4.8582 5.2811 5.2811 5.3458 5.3458 6.9913 6.9913 k = 0.0000 0.0000 0.0712 ( 7169 PWs) bands (ev): -8.4065 -8.4065 -7.7563 -7.7563 -7.7253 -7.7253 -7.5119 -7.5119 -7.3089 -7.3089 -7.3088 -7.3088 -6.7930 -6.7930 -6.7589 -6.7589 -6.7117 -6.7117 -6.6893 -6.6893 -6.5817 -6.5817 -6.0366 -6.0366 -5.5168 -5.5168 -5.4382 -5.4382 -4.6043 -4.6043 -2.6764 -2.6764 -2.2214 -2.2214 -2.2138 -2.2138 -2.1563 -2.1563 -1.8699 -1.8699 -1.4383 -1.4383 -0.8276 -0.8276 -0.8270 -0.8270 -0.3794 -0.3794 -0.2936 -0.2936 -0.2690 -0.2690 3.5219 3.5219 4.8677 4.8677 5.3011 5.3011 5.3655 5.3655 6.9965 6.9965 k = 0.0000 0.0000 0.0890 ( 7162 PWs) bands (ev): -8.3992 -8.3992 -7.7586 -7.7586 -7.7248 -7.7248 -7.5177 -7.5177 -7.3075 -7.3075 -7.3042 -7.3042 -6.7981 -6.7981 -6.7625 -6.7625 -6.7095 -6.7095 -6.6884 -6.6884 -6.5802 -6.5802 -6.0608 -6.0608 -5.5143 -5.5143 -5.4372 -5.4372 -4.5706 -4.5706 -2.6910 -2.6910 -2.2156 -2.2156 -2.2094 -2.2094 -2.1586 -2.1586 -1.8666 -1.8666 -1.4429 -1.4429 -0.8251 -0.8251 -0.8246 -0.8246 -0.4024 -0.4024 -0.2993 -0.2993 -0.2753 -0.2753 3.5562 3.5562 4.8796 4.8796 5.3268 5.3268 5.3907 5.3907 7.0032 7.0032 k = 0.0000 0.0000 0.1067 ( 7174 PWs) bands (ev): -8.3904 -8.3904 -7.7617 -7.7617 -7.7244 -7.7244 -7.5246 -7.5246 -7.3060 -7.3060 -7.2988 -7.2988 -6.8038 -6.8038 -6.7670 -6.7670 -6.7073 -6.7073 -6.6874 -6.6874 -6.5785 -6.5785 -6.0883 -6.0883 -5.5113 -5.5113 -5.4361 -5.4361 -4.5315 -4.5315 -2.7087 -2.7087 -2.2178 -2.2178 -2.1953 -2.1953 -2.1607 -2.1607 -1.8625 -1.8625 -1.4484 -1.4484 -0.8220 -0.8220 -0.8216 -0.8216 -0.4302 -0.4302 -0.3062 -0.3062 -0.2829 -0.2829 3.5974 3.5974 4.8939 4.8939 5.3578 5.3578 5.4213 5.4213 7.0112 7.0112 k = 0.0000 0.0000 0.1245 ( 7170 PWs) bands (ev): -8.3801 -8.3801 -7.7653 -7.7653 -7.7238 -7.7238 -7.5322 -7.5322 -7.3042 -7.3042 -7.2929 -7.2929 -6.8102 -6.8102 -6.7723 -6.7723 -6.7049 -6.7049 -6.6862 -6.6862 -6.5765 -6.5765 -6.1182 -6.1182 -5.5078 -5.5078 -5.4349 -5.4349 -4.4877 -4.4877 -2.7293 -2.7293 -2.2204 -2.2204 -2.1816 -2.1816 -2.1602 -2.1602 -1.8577 -1.8577 -1.4549 -1.4549 -0.8181 -0.8181 -0.8179 -0.8179 -0.4624 -0.4624 -0.3142 -0.3142 -0.2916 -0.2916 3.6451 3.6451 4.9104 4.9104 5.3942 5.3942 5.4570 5.4570 7.0205 7.0205 k = 0.0000 0.0000 0.1423 ( 7170 PWs) bands (ev): -8.3682 -8.3682 -7.7696 -7.7696 -7.7231 -7.7231 -7.5405 -7.5405 -7.3021 -7.3021 -7.2867 -7.2867 -6.8169 -6.8169 -6.7785 -6.7785 -6.7026 -6.7026 -6.6850 -6.6850 -6.5743 -6.5743 -6.1495 -6.1495 -5.5040 -5.5040 -5.4335 -5.4335 -4.4401 -4.4401 -2.7528 -2.7528 -2.2232 -2.2232 -2.1766 -2.1766 -2.1487 -2.1487 -1.8523 -1.8523 -1.4622 -1.4622 -0.8135 -0.8135 -0.8134 -0.8134 -0.4987 -0.4987 -0.3235 -0.3235 -0.3014 -0.3014 3.6987 3.6987 4.9288 4.9288 5.4357 5.4357 5.4978 5.4978 7.0309 7.0309 k = 0.0000 0.0000 0.1601 ( 7158 PWs) bands (ev): -8.3549 -8.3549 -7.7746 -7.7746 -7.7221 -7.7221 -7.5493 -7.5493 -7.2997 -7.2997 -7.2802 -7.2802 -6.8239 -6.8239 -6.7854 -6.7854 -6.7002 -6.7002 -6.6838 -6.6838 -6.5720 -6.5720 -6.1816 -6.1816 -5.4997 -5.4997 -5.4319 -5.4319 -4.3893 -4.3893 -2.7791 -2.7791 -2.2262 -2.2262 -2.1791 -2.1791 -2.1276 -2.1276 -1.8461 -1.8461 -1.4704 -1.4704 -0.8083 -0.8083 -0.8079 -0.8079 -0.5387 -0.5387 -0.3338 -0.3338 -0.3123 -0.3123 3.7578 3.7578 4.9488 4.9488 5.4821 5.4821 5.5434 5.5434 7.0422 7.0422 k = 0.0000 0.0000 0.1779 ( 7146 PWs) bands (ev): -8.3402 -8.3402 -7.7804 -7.7804 -7.7210 -7.7210 -7.5585 -7.5585 -7.2970 -7.2970 -7.2737 -7.2737 -6.8313 -6.8313 -6.7933 -6.7933 -6.6979 -6.6979 -6.6825 -6.6825 -6.5694 -6.5694 -6.2137 -6.2137 -5.4951 -5.4951 -5.4304 -5.4304 -4.3360 -4.3360 -2.8080 -2.8080 -2.2295 -2.2295 -2.1834 -2.1834 -2.1022 -2.1022 -1.8392 -1.8392 -1.4793 -1.4793 -0.8023 -0.8023 -0.8016 -0.8016 -0.5822 -0.5822 -0.3453 -0.3453 -0.3244 -0.3244 3.8219 3.8219 4.9701 4.9701 5.5331 5.5331 5.5935 5.5935 7.0541 7.0541 k = 0.0000 0.0000 0.1957 ( 7142 PWs) bands (ev): -8.3241 -8.3241 -7.7870 -7.7870 -7.7199 -7.7199 -7.5681 -7.5681 -7.2940 -7.2940 -7.2672 -7.2672 -6.8388 -6.8388 -6.8019 -6.8019 -6.6956 -6.6956 -6.6812 -6.6812 -6.5668 -6.5668 -6.2453 -6.2453 -5.4902 -5.4902 -5.4288 -5.4288 -4.2807 -4.2807 -2.8393 -2.8393 -2.2328 -2.2328 -2.1885 -2.1885 -2.0737 -2.0737 -1.8317 -1.8317 -1.4890 -1.4890 -0.7955 -0.7955 -0.7943 -0.7943 -0.6286 -0.6286 -0.3578 -0.3578 -0.3374 -0.3374 3.8904 3.8904 4.9922 4.9922 5.5885 5.5885 5.6479 5.6479 7.0661 7.0661 k = 0.0000 0.0000 0.2135 ( 7142 PWs) bands (ev): -8.3068 -8.3068 -7.7947 -7.7947 -7.7187 -7.7187 -7.5779 -7.5779 -7.2908 -7.2908 -7.2608 -7.2608 -6.8464 -6.8464 -6.8113 -6.8113 -6.6933 -6.6933 -6.6799 -6.6799 -6.5641 -6.5641 -6.2758 -6.2758 -5.4852 -5.4852 -5.4273 -5.4273 -4.2239 -4.2239 -2.8731 -2.8731 -2.2363 -2.2363 -2.1940 -2.1940 -2.0425 -2.0425 -1.8235 -1.8235 -1.4994 -1.4994 -0.7879 -0.7879 -0.7860 -0.7860 -0.6776 -0.6776 -0.3712 -0.3712 -0.3515 -0.3515 3.9627 3.9627 5.0146 5.0146 5.6479 5.6479 5.7061 5.7061 7.0777 7.0777 k = 0.0000 0.0000 0.2313 ( 7126 PWs) bands (ev): -8.2882 -8.2882 -7.8034 -7.8034 -7.7173 -7.7173 -7.5878 -7.5878 -7.2872 -7.2872 -7.2545 -7.2545 -6.8540 -6.8540 -6.8214 -6.8214 -6.6911 -6.6911 -6.6785 -6.6785 -6.5611 -6.5611 -6.3049 -6.3049 -5.4801 -5.4801 -5.4258 -5.4258 -4.1660 -4.1660 -2.9090 -2.9090 -2.2397 -2.2397 -2.1998 -2.1998 -2.0085 -2.0085 -1.8147 -1.8147 -1.5104 -1.5104 -0.7800 -0.7800 -0.7768 -0.7768 -0.7283 -0.7283 -0.3856 -0.3856 -0.3664 -0.3664 4.0382 4.0382 5.0366 5.0366 5.7108 5.7108 5.7677 5.7677 7.0883 7.0883 k = 0.0000 0.0000 0.2491 ( 7114 PWs) bands (ev): -8.2685 -8.2685 -7.8133 -7.8133 -7.7157 -7.7157 -7.5976 -7.5976 -7.2833 -7.2833 -7.2487 -7.2487 -6.8615 -6.8615 -6.8319 -6.8319 -6.6889 -6.6889 -6.6772 -6.6772 -6.5581 -6.5581 -6.3322 -6.3322 -5.4748 -5.4748 -5.4245 -5.4245 -4.1073 -4.1073 -2.9471 -2.9471 -2.2431 -2.2431 -2.2058 -2.2058 -1.9720 -1.9720 -1.8053 -1.8053 -1.5220 -1.5220 -0.7879 -0.7879 -0.7666 -0.7666 -0.7645 -0.7645 -0.4008 -0.4008 -0.3822 -0.3822 4.1164 4.1164 5.0576 5.0576 5.7767 5.7767 5.8321 5.8321 7.0972 7.0972 k = 0.0000 0.0000 0.2669 ( 7138 PWs) bands (ev): -8.2478 -8.2478 -7.8245 -7.8245 -7.7140 -7.7140 -7.6074 -7.6074 -7.2793 -7.2793 -7.2434 -7.2434 -6.8690 -6.8690 -6.8429 -6.8429 -6.6870 -6.6870 -6.6762 -6.6762 -6.5551 -6.5551 -6.3576 -6.3576 -5.4696 -5.4696 -5.4234 -5.4234 -4.0482 -4.0482 -2.9871 -2.9871 -2.2463 -2.2463 -2.2118 -2.2118 -1.9330 -1.9330 -1.7954 -1.7954 -1.5342 -1.5342 -0.8400 -0.8400 -0.7571 -0.7571 -0.7554 -0.7554 -0.4168 -0.4168 -0.3989 -0.3989 4.1966 4.1966 5.0766 5.0766 5.8451 5.8451 5.8988 5.8988 7.0949 7.0950 k = 0.0000 0.0000 0.2847 ( 7158 PWs) bands (ev): -8.2261 -8.2261 -7.8369 -7.8369 -7.7120 -7.7120 -7.6170 -7.6170 -7.2751 -7.2751 -7.2387 -7.2387 -6.8764 -6.8764 -6.8539 -6.8539 -6.6851 -6.6851 -6.6752 -6.6752 -6.5519 -6.5519 -6.3809 -6.3809 -5.4644 -5.4644 -5.4224 -5.4224 -3.9888 -3.9888 -3.0290 -3.0290 -2.2494 -2.2494 -2.2178 -2.2178 -1.8917 -1.8917 -1.7849 -1.7849 -1.5467 -1.5467 -0.8965 -0.8965 -0.7460 -0.7460 -0.7432 -0.7432 -0.4334 -0.4334 -0.4162 -0.4162 4.2781 4.2781 5.0926 5.0926 5.9152 5.9152 5.9669 5.9669 7.0506 7.0506 k = 0.0000 0.0000 0.3024 ( 7166 PWs) bands (ev): -8.2035 -8.2035 -7.8509 -7.8509 -7.7099 -7.7099 -7.6262 -7.6262 -7.2706 -7.2706 -7.2347 -7.2347 -6.8834 -6.8834 -6.8647 -6.8647 -6.6833 -6.6833 -6.6742 -6.6742 -6.5484 -6.5484 -6.4021 -6.4021 -5.4594 -5.4594 -5.4217 -5.4217 -3.9294 -3.9294 -3.0726 -3.0726 -2.2521 -2.2521 -2.2237 -2.2237 -1.8480 -1.8480 -1.7738 -1.7738 -1.5596 -1.5596 -0.9543 -0.9543 -0.7338 -0.7338 -0.7302 -0.7302 -0.4506 -0.4506 -0.4341 -0.4341 4.3603 4.3603 5.1047 5.1047 5.9860 5.9860 6.0354 6.0354 7.0103 7.0103 k = 0.0000 0.0000 0.3202 ( 7154 PWs) bands (ev): -8.1802 -8.1802 -7.8661 -7.8661 -7.7074 -7.7074 -7.6349 -7.6349 -7.2659 -7.2659 -7.2313 -7.2313 -6.8899 -6.8899 -6.8750 -6.8750 -6.6815 -6.6815 -6.6734 -6.6734 -6.5447 -6.5447 -6.4211 -6.4211 -5.4544 -5.4544 -5.4212 -5.4212 -3.8702 -3.8702 -3.1177 -3.1177 -2.2545 -2.2545 -2.2293 -2.2293 -1.8023 -1.8023 -1.7623 -1.7623 -1.5727 -1.5727 -1.0131 -1.0131 -0.7206 -0.7206 -0.7162 -0.7162 -0.4682 -0.4682 -0.4524 -0.4524 4.4424 4.4424 5.1116 5.1116 6.0566 6.0566 6.1030 6.1030 6.9754 6.9754 k = 0.0000 0.0000 0.3380 ( 7166 PWs) bands (ev): -8.1564 -8.1564 -7.8829 -7.8829 -7.7047 -7.7047 -7.6432 -7.6432 -7.2612 -7.2612 -7.2290 -7.2290 -6.8960 -6.8960 -6.8846 -6.8846 -6.6799 -6.6799 -6.6729 -6.6729 -6.5408 -6.5408 -6.4381 -6.4381 -5.4497 -5.4497 -5.4211 -5.4211 -3.8114 -3.8114 -3.1644 -3.1644 -2.2565 -2.2565 -2.2347 -2.2347 -1.7545 -1.7545 -1.7504 -1.7504 -1.5861 -1.5861 -1.0725 -1.0725 -0.7066 -0.7066 -0.7014 -0.7014 -0.4860 -0.4860 -0.4710 -0.4710 4.5237 4.5237 5.1121 5.1121 6.1254 6.1254 6.1683 6.1683 6.9469 6.9469 k = 0.0000 0.0000 0.3558 ( 7166 PWs) bands (ev): -8.1321 -8.1321 -7.9010 -7.9010 -7.7018 -7.7018 -7.6510 -7.6510 -7.2563 -7.2563 -7.2275 -7.2275 -6.9015 -6.9015 -6.8931 -6.8931 -6.6784 -6.6784 -6.6724 -6.6724 -6.5364 -6.5364 -6.4533 -6.4533 -5.4452 -5.4452 -5.4213 -5.4213 -3.7529 -3.7529 -3.2125 -3.2125 -2.2580 -2.2580 -2.2396 -2.2396 -1.7381 -1.7381 -1.7052 -1.7052 -1.5992 -1.5992 -1.1324 -1.1324 -0.6919 -0.6919 -0.6861 -0.6861 -0.5040 -0.5040 -0.4899 -0.4899 4.6033 4.6033 5.1053 5.1053 6.1907 6.1907 6.2293 6.2293 6.9257 6.9257 k = 0.0000 0.0000 0.3736 ( 7150 PWs) bands (ev): -8.1074 -8.1074 -7.9205 -7.9205 -7.6984 -7.6984 -7.6582 -7.6582 -7.2514 -7.2514 -7.2269 -7.2269 -6.9060 -6.9060 -6.9004 -6.9004 -6.6769 -6.6769 -6.6722 -6.6722 -6.5317 -6.5317 -6.4668 -6.4668 -5.4411 -5.4411 -5.4218 -5.4218 -3.6950 -3.6950 -3.2618 -3.2618 -2.2589 -2.2589 -2.2441 -2.2441 -1.7253 -1.7253 -1.6562 -1.6562 -1.6103 -1.6103 -1.1923 -1.1923 -0.6767 -0.6767 -0.6702 -0.6702 -0.5218 -0.5218 -0.5087 -0.5087 4.6803 4.6803 5.0904 5.0904 6.2505 6.2505 6.2838 6.2838 6.9126 6.9126 k = 0.0000 0.0000 0.3914 ( 7158 PWs) bands (ev): -8.0827 -8.0827 -7.9413 -7.9413 -7.6949 -7.6949 -7.6648 -7.6648 -7.2466 -7.2466 -7.2274 -7.2274 -6.9099 -6.9099 -6.9062 -6.9062 -6.6757 -6.6757 -6.6721 -6.6721 -6.5265 -6.5265 -6.4787 -6.4787 -5.4373 -5.4373 -5.4228 -5.4228 -3.6378 -3.6378 -3.3125 -3.3125 -2.2592 -2.2592 -2.2481 -2.2481 -1.7123 -1.7123 -1.6343 -1.6343 -1.5929 -1.5929 -1.2522 -1.2522 -0.6612 -0.6612 -0.6543 -0.6543 -0.5391 -0.5391 -0.5272 -0.5272 4.7538 4.7538 5.0667 5.0667 6.3024 6.3024 6.3291 6.3291 6.9079 6.9079 k = 0.0000 0.0000 0.4092 ( 7170 PWs) bands (ev): -8.0580 -8.0580 -7.9631 -7.9631 -7.6909 -7.6909 -7.6710 -7.6710 -7.2422 -7.2422 -7.2289 -7.2289 -6.9127 -6.9127 -6.9105 -6.9105 -6.6746 -6.6746 -6.6722 -6.6722 -6.5207 -6.5207 -6.4893 -6.4893 -5.4339 -5.4339 -5.4242 -5.4242 -3.5814 -3.5814 -3.3642 -3.3642 -2.2590 -2.2590 -2.2515 -2.2515 -1.6990 -1.6990 -1.6450 -1.6450 -1.5413 -1.5413 -1.3117 -1.3117 -0.6461 -0.6461 -0.6393 -0.6393 -0.5550 -0.5550 -0.5448 -0.5448 4.8228 4.8228 5.0341 5.0341 6.3437 6.3437 6.3625 6.3625 6.9113 6.9113 k = 0.0000 0.0000 0.4270 ( 7166 PWs) bands (ev): -8.0335 -8.0335 -7.9859 -7.9859 -7.6865 -7.6865 -7.6766 -7.6766 -7.2379 -7.2379 -7.2311 -7.2311 -6.9143 -6.9143 -6.9133 -6.9133 -6.6737 -6.6737 -6.6725 -6.6725 -6.5142 -6.5142 -6.4987 -6.4987 -5.4308 -5.4308 -5.4259 -5.4259 -3.5257 -3.5257 -3.4170 -3.4170 -2.2581 -2.2581 -2.2543 -2.2543 -1.6855 -1.6855 -1.6582 -1.6582 -1.4859 -1.4859 -1.3707 -1.3707 -0.6326 -0.6326 -0.6275 -0.6275 -0.5669 -0.5669 -0.5601 -0.5601 4.8863 4.8863 4.9928 4.9928 6.3719 6.3719 6.3816 6.3816 6.9222 6.9222 k = 0.0000 0.0000 0.4448 ( 7170 PWs) bands (ev): -8.0094 -8.0094 -8.0094 -8.0094 -7.6818 -7.6818 -7.6818 -7.6818 -7.2342 -7.2342 -7.2342 -7.2342 -6.9145 -6.9145 -6.9145 -6.9145 -6.6730 -6.6730 -6.6730 -6.6730 -6.5069 -6.5069 -6.5069 -6.5069 -5.4281 -5.4281 -5.4281 -5.4281 -3.4709 -3.4709 -3.4709 -3.4709 -2.2565 -2.2565 -2.2565 -2.2565 -1.6719 -1.6719 -1.6719 -1.6719 -1.4288 -1.4288 -1.4288 -1.4288 -0.6245 -0.6245 -0.6245 -0.6245 -0.5693 -0.5693 -0.5693 -0.5693 4.9433 4.9433 4.9433 4.9433 6.3848 6.3848 6.3848 6.3848 6.9396 6.9396 k = 0.0000 0.0000 0.4448 ( 7170 PWs) bands (ev): -8.0094 -8.0094 -8.0094 -8.0094 -7.6818 -7.6818 -7.6818 -7.6818 -7.2342 -7.2342 -7.2342 -7.2342 -6.9145 -6.9145 -6.9145 -6.9145 -6.6730 -6.6730 -6.6730 -6.6730 -6.5069 -6.5069 -6.5069 -6.5069 -5.4281 -5.4281 -5.4281 -5.4281 -3.4709 -3.4709 -3.4709 -3.4709 -2.2565 -2.2565 -2.2565 -2.2565 -1.6719 -1.6719 -1.6719 -1.6719 -1.4288 -1.4288 -1.4288 -1.4288 -0.6245 -0.6245 -0.6245 -0.6245 -0.5693 -0.5693 -0.5693 -0.5693 4.9433 4.9433 4.9433 4.9433 6.3848 6.3848 6.3848 6.3848 6.9396 6.9396 k = 0.0000 0.0179 0.4448 ( 7154 PWs) bands (ev): -8.0111 -8.0111 -8.0071 -8.0071 -7.6830 -7.6830 -7.6806 -7.6806 -7.2422 -7.2422 -7.2257 -7.2257 -6.9223 -6.9223 -6.9070 -6.9070 -6.6758 -6.6758 -6.6699 -6.6699 -6.5093 -6.5093 -6.5043 -6.5043 -5.4324 -5.4324 -5.4262 -5.4262 -3.4724 -3.4724 -3.4690 -3.4690 -2.2602 -2.2602 -2.2555 -2.2555 -1.6698 -1.6698 -1.6680 -1.6680 -1.4306 -1.4306 -1.4280 -1.4280 -0.6251 -0.6251 -0.6246 -0.6246 -0.5712 -0.5712 -0.5687 -0.5687 4.9415 4.9415 4.9450 4.9450 6.3821 6.3821 6.3888 6.3888 6.9414 6.9414 k = 0.0000 0.0357 0.4448 ( 7158 PWs) bands (ev): -8.0123 -8.0123 -8.0042 -8.0042 -7.6841 -7.6841 -7.6793 -7.6793 -7.2497 -7.2497 -7.2167 -7.2167 -6.9305 -6.9305 -6.8998 -6.8998 -6.6783 -6.6783 -6.6666 -6.6666 -6.5116 -6.5116 -6.5017 -6.5017 -5.4390 -5.4390 -5.4266 -5.4266 -3.4736 -3.4736 -3.4668 -3.4668 -2.2665 -2.2665 -2.2572 -2.2572 -1.6620 -1.6620 -1.6586 -1.6586 -1.4333 -1.4333 -1.4282 -1.4282 -0.6267 -0.6267 -0.6255 -0.6255 -0.5743 -0.5743 -0.5694 -0.5694 4.9397 4.9397 4.9466 4.9466 6.3807 6.3807 6.3940 6.3940 6.9508 6.9508 k = 0.0000 0.0536 0.4448 ( 7156 PWs) bands (ev): -8.0129 -8.0129 -8.0008 -8.0008 -7.6851 -7.6851 -7.6780 -7.6780 -7.2567 -7.2567 -7.2073 -7.2073 -6.9389 -6.9389 -6.8930 -6.8930 -6.6806 -6.6806 -6.6630 -6.6630 -6.5137 -6.5137 -6.4989 -6.4989 -5.4478 -5.4478 -5.4293 -5.4293 -3.4743 -3.4743 -3.4643 -3.4643 -2.2747 -2.2747 -2.2612 -2.2612 -1.6491 -1.6491 -1.6442 -1.6442 -1.4368 -1.4368 -1.4293 -1.4293 -0.6293 -0.6293 -0.6274 -0.6274 -0.5783 -0.5783 -0.5711 -0.5711 4.9379 4.9379 4.9482 4.9482 6.3811 6.3811 6.4004 6.4004 6.9677 6.9677 k = 0.0000 0.0714 0.4448 ( 7168 PWs) bands (ev): -8.0131 -8.0131 -7.9969 -7.9969 -7.6861 -7.6861 -7.6766 -7.6766 -7.2632 -7.2632 -7.1974 -7.1974 -6.9477 -6.9477 -6.8866 -6.8866 -6.6826 -6.6826 -6.6592 -6.6592 -6.5158 -6.5158 -6.4962 -6.4962 -5.4588 -5.4588 -5.4344 -5.4344 -3.4747 -3.4747 -3.4615 -3.4615 -2.2845 -2.2845 -2.2671 -2.2671 -1.6321 -1.6321 -1.6258 -1.6258 -1.4405 -1.4405 -1.4310 -1.4310 -0.6335 -0.6335 -0.6306 -0.6306 -0.5827 -0.5827 -0.5736 -0.5736 4.9361 4.9361 4.9495 4.9495 6.3837 6.3837 6.4085 6.4085 6.9913 6.9913 k = 0.0000 0.0893 0.4448 ( 7154 PWs) bands (ev): -8.0126 -8.0126 -7.9925 -7.9925 -7.6870 -7.6870 -7.6751 -7.6751 -7.2691 -7.2691 -7.1869 -7.1869 -6.9567 -6.9567 -6.8805 -6.8805 -6.6844 -6.6844 -6.6552 -6.6552 -6.5175 -6.5175 -6.4932 -6.4932 -5.4720 -5.4720 -5.4416 -5.4416 -3.4746 -3.4746 -3.4585 -3.4585 -2.2950 -2.2950 -2.2741 -2.2741 -1.6125 -1.6125 -1.6048 -1.6048 -1.4436 -1.4436 -1.4326 -1.4326 -0.6396 -0.6396 -0.6352 -0.6352 -0.5869 -0.5869 -0.5764 -0.5764 4.9343 4.9343 4.9506 4.9506 6.3890 6.3890 6.4184 6.4184 7.0208 7.0208 k = 0.0000 0.1071 0.4448 ( 7150 PWs) bands (ev): -8.0117 -8.0117 -7.9876 -7.9876 -7.6878 -7.6878 -7.6735 -7.6735 -7.2745 -7.2745 -7.1760 -7.1760 -6.9660 -6.9660 -6.8749 -6.8749 -6.6859 -6.6859 -6.6510 -6.6510 -6.5191 -6.5191 -6.4902 -6.4902 -5.4871 -5.4871 -5.4510 -5.4510 -3.4741 -3.4741 -3.4552 -3.4552 -2.3057 -2.3057 -2.2817 -2.2817 -1.5926 -1.5926 -1.5831 -1.5831 -1.4447 -1.4447 -1.4332 -1.4332 -0.6481 -0.6481 -0.6416 -0.6416 -0.5904 -0.5904 -0.5790 -0.5790 4.9324 4.9324 4.9514 4.9514 6.3973 6.3973 6.4307 6.4307 7.0552 7.0552 k = 0.0000 0.1250 0.4448 ( 7142 PWs) bands (ev): -8.0103 -8.0103 -7.9823 -7.9823 -7.6886 -7.6886 -7.6719 -7.6719 -7.2794 -7.2794 -7.1646 -7.1646 -6.9756 -6.9756 -6.8696 -6.8696 -6.6872 -6.6872 -6.6467 -6.6467 -6.5203 -6.5203 -6.4872 -6.4872 -5.5042 -5.5042 -5.4624 -5.4624 -3.4731 -3.4731 -3.4516 -3.4516 -2.3161 -2.3161 -2.2892 -2.2892 -1.5754 -1.5754 -1.5631 -1.5631 -1.4416 -1.4416 -1.4307 -1.4307 -0.6589 -0.6589 -0.6500 -0.6500 -0.5931 -0.5931 -0.5811 -0.5811 4.9304 4.9304 4.9518 4.9518 6.4088 6.4088 6.4455 6.4455 7.0932 7.0932 k = 0.0000 0.1429 0.4448 ( 7156 PWs) bands (ev): -8.0085 -8.0085 -7.9767 -7.9767 -7.6893 -7.6893 -7.6702 -7.6702 -7.2837 -7.2837 -7.1528 -7.1528 -6.9854 -6.9854 -6.8648 -6.8648 -6.6883 -6.6883 -6.6425 -6.6425 -6.5213 -6.5213 -6.4842 -6.4842 -5.5230 -5.5230 -5.4757 -5.4757 -3.4717 -3.4717 -3.4479 -3.4479 -2.3256 -2.3256 -2.2964 -2.2964 -1.5647 -1.5647 -1.5483 -1.5483 -1.4315 -1.4315 -1.4226 -1.4226 -0.6718 -0.6718 -0.6603 -0.6603 -0.5948 -0.5948 -0.5826 -0.5826 4.9284 4.9284 4.9518 4.9518 6.4237 6.4237 6.4632 6.4632 7.1334 7.1334 k = 0.0000 0.1607 0.4448 ( 7160 PWs) bands (ev): -8.0064 -8.0064 -7.9707 -7.9707 -7.6899 -7.6899 -7.6684 -7.6684 -7.2874 -7.2874 -7.1406 -7.1406 -6.9953 -6.9953 -6.8603 -6.8603 -6.6891 -6.6891 -6.6382 -6.6382 -6.5219 -6.5219 -6.4810 -6.4810 -5.5434 -5.5434 -5.4908 -5.4908 -3.4698 -3.4698 -3.4440 -3.4440 -2.3340 -2.3340 -2.3027 -2.3027 -1.5620 -1.5620 -1.5410 -1.5410 -1.4136 -1.4136 -1.4065 -1.4065 -0.6863 -0.6863 -0.6722 -0.6722 -0.5959 -0.5959 -0.5835 -0.5835 4.9264 4.9264 4.9514 4.9514 6.4421 6.4421 6.4838 6.4838 7.1741 7.1741 k = 0.0000 0.1786 0.4448 ( 7152 PWs) bands (ev): -8.0039 -8.0039 -7.9646 -7.9646 -7.6905 -7.6905 -7.6665 -7.6665 -7.2905 -7.2905 -7.1279 -7.1279 -7.0054 -7.0054 -6.8562 -6.8562 -6.6898 -6.6898 -6.6341 -6.6341 -6.5221 -6.5221 -6.4778 -6.4778 -5.5651 -5.5651 -5.5075 -5.5075 -3.4675 -3.4675 -3.4400 -3.4400 -2.3409 -2.3409 -2.3080 -2.3080 -1.5663 -1.5663 -1.5412 -1.5412 -1.3896 -1.3896 -1.3830 -1.3830 -0.7021 -0.7021 -0.6854 -0.6854 -0.5964 -0.5964 -0.5837 -0.5837 4.9242 4.9242 4.9507 4.9507 6.4640 6.4640 6.5073 6.5073 7.2134 7.2134 k = 0.0000 0.1964 0.4448 ( 7144 PWs) bands (ev): -8.0011 -8.0011 -7.9582 -7.9582 -7.6910 -7.6910 -7.6645 -7.6645 -7.2929 -7.2929 -7.1149 -7.1149 -7.0156 -7.0156 -6.8525 -6.8525 -6.6902 -6.6902 -6.6303 -6.6303 -6.5217 -6.5217 -6.4745 -6.4745 -5.5881 -5.5881 -5.5256 -5.5256 -3.4647 -3.4647 -3.4358 -3.4358 -2.3462 -2.3462 -2.3119 -2.3119 -1.5754 -1.5754 -1.5471 -1.5471 -1.3618 -1.3618 -1.3550 -1.3550 -0.7186 -0.7186 -0.6995 -0.6995 -0.5964 -0.5964 -0.5835 -0.5835 4.9220 4.9220 4.9495 4.9495 6.4890 6.4890 6.5335 6.5335 7.2493 7.2493 k = 0.0000 0.2143 0.4448 ( 7140 PWs) bands (ev): -7.9981 -7.9981 -7.9518 -7.9518 -7.6914 -7.6914 -7.6625 -7.6625 -7.2946 -7.2946 -7.1018 -7.1018 -7.0257 -7.0257 -6.8492 -6.8492 -6.6904 -6.6904 -6.6269 -6.6269 -6.5207 -6.5207 -6.4712 -6.4712 -5.6120 -5.6120 -5.5449 -5.5449 -3.4615 -3.4615 -3.4315 -3.4315 -2.3498 -2.3498 -2.3145 -2.3145 -1.5874 -1.5874 -1.5567 -1.5567 -1.3324 -1.3324 -1.3252 -1.3252 -0.7354 -0.7354 -0.7139 -0.7139 -0.5961 -0.5961 -0.5830 -0.5830 4.9198 4.9198 4.9480 4.9480 6.5169 6.5169 6.5623 6.5623 7.2797 7.2797 k = 0.0000 0.2321 0.4448 ( 7132 PWs) bands (ev): -7.9950 -7.9950 -7.9453 -7.9453 -7.6917 -7.6917 -7.6604 -7.6604 -7.2957 -7.2957 -7.0890 -7.0890 -7.0353 -7.0353 -6.8463 -6.8463 -6.6904 -6.6904 -6.6239 -6.6239 -6.5190 -6.5190 -6.4678 -6.4678 -5.6367 -5.6367 -5.5652 -5.5652 -3.4579 -3.4579 -3.4272 -3.4272 -2.3516 -2.3516 -2.3156 -2.3156 -1.6014 -1.6014 -1.5687 -1.5687 -1.3027 -1.3027 -1.2951 -1.2951 -0.7519 -0.7519 -0.7283 -0.7283 -0.5955 -0.5955 -0.5821 -0.5821 4.9177 4.9177 4.9461 4.9461 6.5475 6.5475 6.5934 6.5934 7.3031 7.3031 k = 0.0000 0.2500 0.4448 ( 7138 PWs) bands (ev): -7.9917 -7.9917 -7.9390 -7.9390 -7.6920 -7.6920 -7.6583 -7.6583 -7.2960 -7.2960 -7.0780 -7.0780 -7.0428 -7.0428 -6.8439 -6.8439 -6.6902 -6.6902 -6.6217 -6.6217 -6.5167 -6.5167 -6.4644 -6.4644 -5.6619 -5.6619 -5.5863 -5.5863 -3.4540 -3.4540 -3.4228 -3.4228 -2.3516 -2.3516 -2.3153 -2.3153 -1.6167 -1.6167 -1.5824 -1.5824 -1.2741 -1.2741 -1.2661 -1.2661 -0.7676 -0.7676 -0.7422 -0.7422 -0.5948 -0.5948 -0.5810 -0.5810 4.9155 4.9155 4.9439 4.9439 6.5802 6.5802 6.6263 6.6263 7.3191 7.3191 k = 0.0000 0.2679 0.4448 ( 7128 PWs) bands (ev): -7.9884 -7.9884 -7.9327 -7.9327 -7.6922 -7.6922 -7.6561 -7.6561 -7.2956 -7.2956 -7.0740 -7.0740 -7.0433 -7.0433 -6.8419 -6.8419 -6.6898 -6.6898 -6.6201 -6.6201 -6.5137 -6.5137 -6.4609 -6.4609 -5.6873 -5.6873 -5.6079 -5.6079 -3.4498 -3.4498 -3.4185 -3.4185 -2.3500 -2.3500 -2.3137 -2.3137 -1.6329 -1.6329 -1.5972 -1.5972 -1.2474 -1.2474 -1.2390 -1.2390 -0.7820 -0.7820 -0.7550 -0.7550 -0.5938 -0.5938 -0.5798 -0.5798 4.9134 4.9134 4.9416 4.9416 6.6146 6.6146 6.6606 6.6606 7.3283 7.3283 k = 0.0000 0.2857 0.4448 ( 7124 PWs) bands (ev): -7.9850 -7.9850 -7.9267 -7.9267 -7.6923 -7.6923 -7.6539 -7.6539 -7.2944 -7.2944 -7.0794 -7.0794 -7.0341 -7.0341 -6.8404 -6.8404 -6.6891 -6.6891 -6.6194 -6.6194 -6.5099 -6.5099 -6.4574 -6.4574 -5.7127 -5.7127 -5.6298 -5.6298 -3.4453 -3.4453 -3.4143 -3.4143 -2.3468 -2.3468 -2.3108 -2.3108 -1.6495 -1.6495 -1.6127 -1.6127 -1.2233 -1.2233 -1.2145 -1.2145 -0.7945 -0.7945 -0.7663 -0.7663 -0.5927 -0.5927 -0.5783 -0.5783 4.9115 4.9115 4.9391 4.9391 6.6501 6.6501 6.6959 6.6959 7.3321 7.3321 k = 0.0000 0.3036 0.4448 ( 7128 PWs) bands (ev): -7.9817 -7.9817 -7.9209 -7.9209 -7.6924 -7.6924 -7.6518 -7.6518 -7.2924 -7.2924 -7.0889 -7.0889 -7.0209 -7.0209 -6.8394 -6.8394 -6.6882 -6.6882 -6.6195 -6.6195 -6.5056 -6.5056 -6.4538 -6.4538 -5.7377 -5.7377 -5.6516 -5.6516 -3.4407 -3.4407 -3.4102 -3.4102 -2.3422 -2.3422 -2.3068 -2.3068 -1.6664 -1.6664 -1.6287 -1.6287 -1.2026 -1.2026 -1.1934 -1.1934 -0.8047 -0.8047 -0.7756 -0.7756 -0.5914 -0.5914 -0.5768 -0.5768 4.9097 4.9097 4.9364 4.9364 6.6861 6.6861 6.7314 6.7314 7.3322 7.3322 k = 0.0000 0.3214 0.4448 ( 7134 PWs) bands (ev): -7.9785 -7.9785 -7.9155 -7.9155 -7.6925 -7.6925 -7.6496 -7.6496 -7.2896 -7.2896 -7.0997 -7.0997 -7.0064 -7.0064 -6.8389 -6.8389 -6.6871 -6.6871 -6.6203 -6.6203 -6.5008 -6.5008 -6.4502 -6.4502 -5.7621 -5.7621 -5.6732 -5.6732 -3.4360 -3.4360 -3.4063 -3.4063 -2.3364 -2.3364 -2.3020 -2.3020 -1.6832 -1.6832 -1.6448 -1.6448 -1.1855 -1.1855 -1.1760 -1.1760 -0.8120 -0.8120 -0.7826 -0.7826 -0.5901 -0.5901 -0.5752 -0.5752 4.9081 4.9081 4.9338 4.9338 6.7222 6.7222 6.7668 6.7668 7.3300 7.3300 k = 0.0000 0.3393 0.4448 ( 7138 PWs) bands (ev): -7.9754 -7.9754 -7.9105 -7.9105 -7.6925 -7.6925 -7.6476 -7.6476 -7.2860 -7.2860 -7.1109 -7.1109 -6.9915 -6.9915 -6.8390 -6.8390 -6.6857 -6.6857 -6.6219 -6.6219 -6.4957 -6.4957 -6.4466 -6.4466 -5.7854 -5.7854 -5.6941 -5.6941 -3.4313 -3.4313 -3.4026 -3.4026 -2.3296 -2.3296 -2.2963 -2.2963 -1.6996 -1.6996 -1.6608 -1.6608 -1.1724 -1.1724 -1.1626 -1.1626 -0.8163 -0.8163 -0.7872 -0.7872 -0.5887 -0.5887 -0.5735 -0.5735 4.9067 4.9067 4.9311 4.9311 6.7576 6.7576 6.8013 6.8013 7.3265 7.3265 k = 0.0000 0.3571 0.4448 ( 7124 PWs) bands (ev): -7.9725 -7.9725 -7.9059 -7.9059 -7.6925 -7.6925 -7.6456 -7.6456 -7.2816 -7.2816 -7.1223 -7.1223 -6.9765 -6.9765 -6.8396 -6.8396 -6.6839 -6.6839 -6.6242 -6.6242 -6.4904 -6.4904 -6.4431 -6.4431 -5.8075 -5.8075 -5.7140 -5.7140 -3.4267 -3.4267 -3.3992 -3.3992 -2.3220 -2.3220 -2.2902 -2.2902 -1.7154 -1.7154 -1.6762 -1.6762 -1.1631 -1.1631 -1.1530 -1.1530 -0.8177 -0.8177 -0.7894 -0.7894 -0.5873 -0.5873 -0.5718 -0.5718 4.9055 4.9055 4.9285 4.9285 6.7917 6.7917 6.8345 6.8345 7.3226 7.3226 k = 0.0000 0.3750 0.4448 ( 7134 PWs) bands (ev): -7.9698 -7.9698 -7.9018 -7.9018 -7.6924 -7.6924 -7.6437 -7.6437 -7.2765 -7.2765 -7.1339 -7.1339 -6.9618 -6.9618 -6.8410 -6.8410 -6.6819 -6.6819 -6.6272 -6.6272 -6.4852 -6.4852 -6.4396 -6.4396 -5.8279 -5.8279 -5.7328 -5.7328 -3.4223 -3.4223 -3.3961 -3.3961 -2.3141 -2.3141 -2.2839 -2.2839 -1.7304 -1.7304 -1.6910 -1.6910 -1.1572 -1.1572 -1.1469 -1.1469 -0.8166 -0.8166 -0.7896 -0.7896 -0.5859 -0.5859 -0.5702 -0.5702 4.9045 4.9045 4.9260 4.9260 6.8238 6.8238 6.8655 6.8655 7.3189 7.3189 k = 0.0000 0.3929 0.4448 ( 7128 PWs) bands (ev): -7.9674 -7.9674 -7.8982 -7.8982 -7.6923 -7.6923 -7.6420 -7.6420 -7.2706 -7.2706 -7.1453 -7.1453 -6.9474 -6.9474 -6.8430 -6.8430 -6.6795 -6.6795 -6.6307 -6.6307 -6.4803 -6.4803 -6.4363 -6.4363 -5.8464 -5.8464 -5.7499 -5.7499 -3.4181 -3.4181 -3.3935 -3.3935 -2.3060 -2.3060 -2.2777 -2.2777 -1.7442 -1.7442 -1.7047 -1.7047 -1.1542 -1.1542 -1.1436 -1.1436 -0.8136 -0.8136 -0.7882 -0.7882 -0.5845 -0.5845 -0.5686 -0.5686 4.9038 4.9038 4.9236 4.9236 6.8533 6.8533 6.8939 6.8939 7.3155 7.3155 k = 0.0000 0.4107 0.4448 ( 7126 PWs) bands (ev): -7.9654 -7.9654 -7.8951 -7.8951 -7.6922 -7.6922 -7.6405 -7.6405 -7.2640 -7.2640 -7.1566 -7.1566 -6.9336 -6.9336 -6.8459 -6.8459 -6.6767 -6.6767 -6.6346 -6.6346 -6.4757 -6.4757 -6.4333 -6.4333 -5.8626 -5.8626 -5.7652 -5.7652 -3.4143 -3.4143 -3.3912 -3.3912 -2.2982 -2.2982 -2.2717 -2.2717 -1.7566 -1.7566 -1.7171 -1.7171 -1.1533 -1.1533 -1.1423 -1.1423 -0.8094 -0.8094 -0.7858 -0.7858 -0.5832 -0.5832 -0.5671 -0.5671 4.9033 4.9033 4.9215 4.9215 6.8795 6.8795 6.9191 6.9191 7.3128 7.3128 k = 0.0000 0.4286 0.4448 ( 7134 PWs) bands (ev): -7.9636 -7.9636 -7.8926 -7.8926 -7.6921 -7.6921 -7.6393 -7.6393 -7.2570 -7.2570 -7.1676 -7.1676 -6.9206 -6.9206 -6.8496 -6.8496 -6.6736 -6.6736 -6.6389 -6.6389 -6.4718 -6.4718 -6.4307 -6.4307 -5.8763 -5.8763 -5.7782 -5.7782 -3.4111 -3.4111 -3.3894 -3.3894 -2.2911 -2.2911 -2.2665 -2.2665 -1.7672 -1.7672 -1.7278 -1.7278 -1.1538 -1.1538 -1.1423 -1.1423 -0.8049 -0.8049 -0.7831 -0.7831 -0.5820 -0.5820 -0.5659 -0.5659 4.9029 4.9029 4.9196 4.9196 6.9018 6.9018 6.9405 6.9405 7.3108 7.3108 k = 0.0000 0.4464 0.4448 ( 7130 PWs) bands (ev): -7.9622 -7.9622 -7.8907 -7.8907 -7.6921 -7.6921 -7.6382 -7.6382 -7.2496 -7.2496 -7.1780 -7.1780 -6.9084 -6.9084 -6.8541 -6.8541 -6.6700 -6.6700 -6.6434 -6.6434 -6.4685 -6.4685 -6.4284 -6.4284 -5.8872 -5.8872 -5.7886 -5.7886 -3.4084 -3.4084 -3.3880 -3.3880 -2.2851 -2.2851 -2.2621 -2.2621 -1.7759 -1.7759 -1.7365 -1.7365 -1.1548 -1.1548 -1.1430 -1.1430 -0.8007 -0.8007 -0.7805 -0.7805 -0.5811 -0.5811 -0.5648 -0.5648 4.9028 4.9028 4.9180 4.9180 6.9198 6.9198 6.9577 6.9577 7.3094 7.3094 k = 0.0000 0.4643 0.4448 ( 7122 PWs) bands (ev): -7.9612 -7.9612 -7.8892 -7.8892 -7.6920 -7.6920 -7.6375 -7.6375 -7.2424 -7.2424 -7.1874 -7.1874 -6.8975 -6.8975 -6.8594 -6.8594 -6.6661 -6.6661 -6.6481 -6.6481 -6.4661 -6.4661 -6.4267 -6.4267 -5.8951 -5.8951 -5.7963 -5.7963 -3.4063 -3.4063 -3.3870 -3.3870 -2.2804 -2.2804 -2.2588 -2.2588 -1.7823 -1.7823 -1.7429 -1.7429 -1.1560 -1.1560 -1.1439 -1.1439 -0.7973 -0.7973 -0.7783 -0.7783 -0.5803 -0.5803 -0.5640 -0.5640 4.9028 4.9028 4.9168 4.9168 6.9329 6.9329 6.9702 6.9702 7.3085 7.3085 k = 0.0000 0.4821 0.4448 ( 7132 PWs) bands (ev): -7.9606 -7.9606 -7.8884 -7.8884 -7.6919 -7.6919 -7.6370 -7.6370 -7.2365 -7.2365 -7.1947 -7.1947 -6.8885 -6.8885 -6.8651 -6.8651 -6.6620 -6.6620 -6.6528 -6.6528 -6.4646 -6.4646 -6.4257 -6.4257 -5.9000 -5.9000 -5.8010 -5.8010 -3.4051 -3.4051 -3.3865 -3.3865 -2.2775 -2.2775 -2.2567 -2.2567 -1.7862 -1.7862 -1.7468 -1.7468 -1.1569 -1.1569 -1.1445 -1.1445 -0.7951 -0.7951 -0.7770 -0.7770 -0.5799 -0.5799 -0.5635 -0.5635 4.9028 4.9028 4.9160 4.9160 6.9409 6.9409 6.9779 6.9779 7.3080 7.3080 k = 0.0000 0.5000 0.4448 ( 7128 PWs) bands (ev): -7.9604 -7.9604 -7.8881 -7.8881 -7.6919 -7.6919 -7.6369 -7.6369 -7.2339 -7.2339 -7.1977 -7.1977 -6.8841 -6.8841 -6.8683 -6.8683 -6.6579 -6.6579 -6.6571 -6.6571 -6.4642 -6.4642 -6.4254 -6.4254 -5.9016 -5.9016 -5.8026 -5.8026 -3.4047 -3.4047 -3.3863 -3.3863 -2.2765 -2.2765 -2.2561 -2.2561 -1.7876 -1.7876 -1.7482 -1.7482 -1.1572 -1.1572 -1.1448 -1.1448 -0.7943 -0.7943 -0.7765 -0.7765 -0.5797 -0.5797 -0.5633 -0.5633 4.9028 4.9028 4.9157 4.9157 6.9436 6.9436 6.9804 6.9804 7.3079 7.3079 k = 0.0000 0.5000 0.4448 ( 7128 PWs) bands (ev): -7.9604 -7.9604 -7.8881 -7.8881 -7.6919 -7.6919 -7.6369 -7.6369 -7.2339 -7.2339 -7.1977 -7.1977 -6.8841 -6.8841 -6.8683 -6.8683 -6.6579 -6.6579 -6.6571 -6.6571 -6.4642 -6.4642 -6.4254 -6.4254 -5.9016 -5.9016 -5.8026 -5.8026 -3.4047 -3.4047 -3.3863 -3.3863 -2.2765 -2.2765 -2.2561 -2.2561 -1.7876 -1.7876 -1.7482 -1.7482 -1.1572 -1.1572 -1.1448 -1.1448 -0.7943 -0.7943 -0.7765 -0.7765 -0.5797 -0.5797 -0.5633 -0.5633 4.9028 4.9028 4.9157 4.9157 6.9436 6.9436 6.9804 6.9804 7.3079 7.3079 k = 0.0179 0.5000 0.4448 ( 7136 PWs) bands (ev): -7.9620 -7.9584 -7.8904 -7.8855 -7.6964 -7.6876 -7.6445 -7.6293 -7.2426 -7.2259 -7.2100 -7.1858 -6.8870 -6.8803 -6.8731 -6.8634 -6.6640 -6.6600 -6.6541 -6.6521 -6.4735 -6.4543 -6.4293 -6.4205 -5.9043 -5.8975 -5.8081 -5.7959 -3.4584 -3.4404 -3.3557 -3.3368 -2.2969 -2.2772 -2.2718 -2.2507 -1.7895 -1.7704 -1.7485 -1.7328 -1.1702 -1.1555 -1.1409 -1.1311 -0.7948 -0.7919 -0.7776 -0.7732 -0.5827 -0.5764 -0.5669 -0.5595 4.8462 4.8576 4.9581 4.9728 6.9181 6.9528 6.9600 7.0002 7.2996 7.3273 k = 0.0357 0.5000 0.4448 ( 7140 PWs) bands (ev): -7.9631 -7.9560 -7.8922 -7.8824 -7.7012 -7.6835 -7.6522 -7.6219 -7.2518 -7.2226 -7.2187 -7.1746 -6.8888 -6.8775 -6.8756 -6.8582 -6.6703 -6.6628 -6.6510 -6.6467 -6.4824 -6.4439 -6.4324 -6.4144 -5.9054 -5.8920 -5.8124 -5.7880 -3.5164 -3.4986 -3.3119 -3.2924 -2.3298 -2.3112 -2.2838 -2.2619 -1.7755 -1.7412 -1.7333 -1.7054 -1.1793 -1.1626 -1.1221 -1.1151 -0.7931 -0.7875 -0.7767 -0.7676 -0.5854 -0.5728 -0.5701 -0.5553 4.7884 4.7984 5.0122 5.0287 6.8865 6.9201 6.9649 7.0093 7.3046 7.3450 k = 0.0536 0.5000 0.4448 ( 7136 PWs) bands (ev): -7.9637 -7.9531 -7.8937 -7.8789 -7.7061 -7.6795 -7.6598 -7.6146 -7.2613 -7.2354 -7.2125 -7.1641 -6.8895 -6.8814 -6.8703 -6.8528 -6.6766 -6.6654 -6.6477 -6.6417 -6.4909 -6.4349 -6.4327 -6.4068 -5.9051 -5.8853 -5.8154 -5.7790 -3.5779 -3.5603 -3.2738 -3.2535 -2.3714 -2.3543 -2.3099 -2.2872 -1.7478 -1.7045 -1.7035 -1.6695 -1.1840 -1.1657 -1.1015 -1.0975 -0.7892 -0.7811 -0.7738 -0.7595 -0.5877 -0.5729 -0.5689 -0.5509 4.7295 4.7382 5.0650 5.0835 6.8511 6.8843 6.9581 7.0067 7.3229 7.3607 k = 0.0714 0.5000 0.4448 ( 7132 PWs) bands (ev): -7.9639 -7.9499 -7.8947 -7.8750 -7.7112 -7.6759 -7.6673 -7.6076 -7.2709 -7.2481 -7.2074 -7.1546 -6.8889 -6.8848 -6.8645 -6.8474 -6.6829 -6.6680 -6.6443 -6.6374 -6.4990 -6.4371 -6.4207 -6.3975 -5.9031 -5.8773 -5.8170 -5.7689 -3.6426 -3.6250 -3.2418 -3.2206 -2.4186 -2.4035 -2.3467 -2.3232 -1.7101 -1.6660 -1.6605 -1.6282 -1.1841 -1.1646 -1.0800 -1.0791 -0.7830 -0.7726 -0.7690 -0.7489 -0.5895 -0.5753 -0.5648 -0.5462 4.6695 4.6771 5.1165 5.1371 6.8133 6.8467 6.9416 6.9936 7.3522 7.3881 k = 0.0893 0.5000 0.4448 ( 7128 PWs) bands (ev): -7.9636 -7.9462 -7.8955 -7.8706 -7.7164 -7.6746 -7.6724 -7.6009 -7.2804 -7.2608 -7.2036 -7.1463 -6.8875 -6.8871 -6.8582 -6.8419 -6.6890 -6.6704 -6.6408 -6.6338 -6.5069 -6.4390 -6.4078 -6.3864 -5.8995 -5.8683 -5.8173 -5.7579 -3.7098 -3.6922 -3.2161 -3.1938 -2.4692 -2.4564 -2.3906 -2.3664 -1.6659 -1.6210 -1.6141 -1.5835 -1.1794 -1.1591 -1.0605 -1.0586 -0.7744 -0.7623 -0.7620 -0.7356 -0.5909 -0.5773 -0.5603 -0.5413 4.6088 4.6152 5.1668 5.1897 6.7742 6.8081 6.9181 6.9724 7.3894 7.4243 k = 0.1071 0.5000 0.4448 ( 7128 PWs) bands (ev): -7.9629 -7.9422 -7.8959 -7.8658 -7.7218 -7.6818 -7.6692 -7.5945 -7.2897 -7.2732 -7.2011 -7.1393 -6.8895 -6.8842 -6.8517 -6.8365 -6.6949 -6.6728 -6.6373 -6.6310 -6.5146 -6.4409 -6.3938 -6.3734 -5.8943 -5.8582 -5.8163 -5.7459 -3.7792 -3.7614 -3.1968 -3.1732 -2.5217 -2.5116 -2.4390 -2.4143 -1.6178 -1.5721 -1.5657 -1.5367 -1.1702 -1.1495 -1.0424 -1.0379 -0.7635 -0.7538 -0.7488 -0.7196 -0.5918 -0.5787 -0.5556 -0.5361 4.5473 4.5527 5.2158 5.2411 6.7343 6.7688 6.8899 6.9456 7.4319 7.4663 k = 0.1250 0.5000 0.4448 ( 7124 PWs) bands (ev): -7.9618 -7.9378 -7.8960 -7.8606 -7.7274 -7.6887 -7.6663 -7.5887 -7.2987 -7.2852 -7.1998 -7.1338 -6.8906 -6.8802 -6.8450 -6.8311 -6.7006 -6.6750 -6.6337 -6.6288 -6.5219 -6.4427 -6.3786 -6.3582 -5.8876 -5.8474 -5.8140 -5.7332 -3.8502 -3.8322 -3.1839 -3.1588 -2.5750 -2.5680 -2.4902 -2.4651 -1.5675 -1.5212 -1.5160 -1.4888 -1.1570 -1.1361 -1.0251 -1.0187 -0.7506 -0.7435 -0.7328 -0.7010 -0.5920 -0.5794 -0.5506 -0.5306 4.4853 4.4899 5.2637 5.2915 6.6938 6.7291 6.8585 6.9150 7.4777 7.5117 k = 0.1429 0.5000 0.4448 ( 7128 PWs) bands (ev): -7.9602 -7.9332 -7.8959 -7.8550 -7.7331 -7.6954 -7.6636 -7.5835 -7.3073 -7.2966 -7.1998 -7.1299 -6.8907 -6.8753 -6.8382 -6.8257 -6.7059 -6.6772 -6.6302 -6.6273 -6.5291 -6.4447 -6.3622 -6.3410 -5.8795 -5.8357 -5.8104 -5.7198 -3.9224 -3.9041 -3.1771 -3.1502 -2.6284 -2.6247 -2.5429 -2.5175 -1.5163 -1.4695 -1.4657 -1.4401 -1.1403 -1.1196 -1.0089 -1.0013 -0.7360 -0.7314 -0.7138 -0.6802 -0.5915 -0.5795 -0.5454 -0.5249 4.4230 4.4268 5.3103 5.3409 6.6530 6.6891 6.8248 6.8815 7.5252 7.5581 k = 0.1607 0.5000 0.4448 ( 7136 PWs) bands (ev): -7.9583 -7.9283 -7.8955 -7.8490 -7.7390 -7.7018 -7.6613 -7.5789 -7.3152 -7.3074 -7.2009 -7.1276 -6.8900 -6.8698 -6.8314 -6.8204 -6.7109 -6.6793 -6.6268 -6.6266 -6.5358 -6.4468 -6.3443 -6.3217 -5.8699 -5.8235 -5.8057 -5.7059 -3.9955 -3.9768 -3.1760 -3.1473 -2.6812 -2.6812 -2.5962 -2.5707 -1.4650 -1.4179 -1.4151 -1.3912 -1.1209 -1.1008 -0.9939 -0.9858 -0.7198 -0.7175 -0.6921 -0.6574 -0.5902 -0.5788 -0.5399 -0.5189 4.3606 4.3638 5.3558 5.3892 6.6121 6.6490 6.7896 6.8460 7.5724 7.6019 k = 0.1786 0.5000 0.4448 ( 7136 PWs) bands (ev): -7.9559 -7.9233 -7.8949 -7.8426 -7.7450 -7.7078 -7.6592 -7.5752 -7.3225 -7.3174 -7.2029 -7.1270 -6.8883 -6.8638 -6.8247 -6.8152 -6.7155 -6.6813 -6.6263 -6.6237 -6.5421 -6.4491 -6.3249 -6.3004 -5.8590 -5.8108 -5.7999 -5.6914 -4.0690 -4.0499 -3.1803 -3.1494 -2.7368 -2.7329 -2.6495 -2.6239 -1.4143 -1.3671 -1.3647 -1.3422 -1.0995 -1.0802 -0.9802 -0.9723 -0.7022 -0.7018 -0.6681 -0.6331 -0.5879 -0.5771 -0.5340 -0.5126 4.2985 4.3011 5.4002 5.4365 6.5712 6.6090 6.7531 6.8089 7.6140 7.6342 k = 0.1964 0.5000 0.4448 ( 7128 PWs) bands (ev): -7.9532 -7.9180 -7.8941 -7.8358 -7.7510 -7.7133 -7.6575 -7.5723 -7.3289 -7.3264 -7.2058 -7.1280 -6.8857 -6.8576 -6.8180 -6.8100 -6.7196 -6.6831 -6.6265 -6.6211 -6.5477 -6.4516 -6.3038 -6.2769 -5.8469 -5.7978 -5.7931 -5.6766 -4.1426 -4.1230 -3.1894 -3.1562 -2.7911 -2.7831 -2.7022 -2.6767 -1.3647 -1.3177 -1.3149 -1.2937 -1.0770 -1.0587 -0.9675 -0.9605 -0.6844 -0.6833 -0.6425 -0.6079 -0.5843 -0.5743 -0.5277 -0.5060 4.2369 4.2389 5.4434 5.4828 6.5305 6.5691 6.7158 6.7706 7.6297 7.6376 k = 0.2143 0.5000 0.4448 ( 7120 PWs) bands (ev): -7.9501 -7.9128 -7.8932 -7.8287 -7.7572 -7.7184 -7.6562 -7.5705 -7.3345 -7.3343 -7.2093 -7.1305 -6.8824 -6.8514 -6.8115 -6.8050 -6.7232 -6.6848 -6.6272 -6.6191 -6.5525 -6.4543 -6.2811 -6.2516 -5.8337 -5.7853 -5.7846 -5.6616 -4.2161 -4.1959 -3.2026 -3.1671 -2.8437 -2.8316 -2.7539 -2.7287 -1.3165 -1.2700 -1.2660 -1.2460 -1.0541 -1.0371 -0.9559 -0.9503 -0.6656 -0.6632 -0.6161 -0.5824 -0.5792 -0.5702 -0.5210 -0.4990 4.1761 4.1777 5.4855 5.5281 6.4902 6.5296 6.6779 6.7315 7.6036 7.6098 k = 0.2321 0.5000 0.4448 ( 7124 PWs) bands (ev): -7.9467 -7.9075 -7.8921 -7.8213 -7.7635 -7.7230 -7.6553 -7.5699 -7.3411 -7.3392 -7.2135 -7.1344 -6.8786 -6.8453 -6.8052 -6.8001 -6.7264 -6.6864 -6.6282 -6.6182 -6.5562 -6.4573 -6.2567 -6.2243 -5.8196 -5.7769 -5.7714 -5.6465 -4.2892 -4.2682 -3.2193 -3.1816 -2.8941 -2.8781 -2.8042 -2.7793 -1.2702 -1.2244 -1.2188 -1.1999 -1.0313 -1.0158 -0.9451 -0.9413 -0.6455 -0.6424 -0.5900 -0.5716 -0.5648 -0.5568 -0.5139 -0.4915 4.1165 4.1176 5.5265 5.5723 6.4504 6.4907 6.6397 6.6918 7.5607 7.5694 k = 0.2500 0.5000 0.4448 ( 7136 PWs) bands (ev): -7.9429 -7.9023 -7.8910 -7.8136 -7.7698 -7.7270 -7.6549 -7.5704 -7.3467 -7.3430 -7.2182 -7.1395 -6.8743 -6.8396 -6.7993 -6.7954 -6.7292 -6.6879 -6.6296 -6.6185 -6.5587 -6.4605 -6.2306 -6.1954 -5.8049 -5.7679 -5.7584 -5.6315 -4.3614 -4.3396 -3.2389 -3.1992 -2.9420 -2.9222 -2.8528 -2.8284 -1.2260 -1.1810 -1.1736 -1.1559 -1.0091 -0.9953 -0.9350 -0.9333 -0.6246 -0.6211 -0.5693 -0.5574 -0.5572 -0.5324 -0.5061 -0.4832 4.0583 4.0591 5.5663 5.6155 6.4115 6.4526 6.6013 6.6518 7.5151 7.5265 k = 0.2679 0.5000 0.4448 ( 7120 PWs) bands (ev): -7.9389 -7.8973 -7.8898 -7.8057 -7.7761 -7.7303 -7.6548 -7.5722 -7.3508 -7.3456 -7.2232 -7.1457 -6.8696 -6.8344 -6.7934 -6.7909 -6.7312 -6.6891 -6.6311 -6.6202 -6.5595 -6.4637 -6.2028 -6.1647 -5.7894 -5.7583 -5.7457 -5.6167 -4.4325 -4.4098 -3.2608 -3.2195 -2.9868 -2.9637 -2.8993 -2.8756 -1.1842 -1.1402 -1.1311 -1.1144 -0.9878 -0.9760 -0.9262 -0.9255 -0.6033 -0.6000 -0.5558 -0.5479 -0.5340 -0.5097 -0.4975 -0.4737 4.0019 4.0024 5.6051 5.6575 6.3735 6.4157 6.5631 6.6117 7.4706 7.4844 k = 0.2857 0.5000 0.4448 ( 7116 PWs) bands (ev): -7.9345 -7.8925 -7.8885 -7.7980 -7.7822 -7.7330 -7.6553 -7.5752 -7.3536 -7.3473 -7.2283 -7.1527 -6.8647 -6.8297 -6.7879 -6.7865 -6.7328 -6.6902 -6.6328 -6.6231 -6.5590 -6.4672 -6.1735 -6.1325 -5.7735 -5.7486 -5.7337 -5.6025 -4.5021 -4.4785 -3.2842 -3.2420 -3.0282 -3.0027 -2.9434 -2.9206 -1.1452 -1.1023 -1.0916 -1.0759 -0.9677 -0.9580 -0.9199 -0.9164 -0.5821 -0.5796 -0.5416 -0.5362 -0.5111 -0.4904 -0.4871 -0.4618 3.9476 3.9479 5.6426 5.6984 6.3368 6.3803 6.5252 6.5718 7.4285 7.4442 k = 0.3036 0.5000 0.4448 ( 7120 PWs) bands (ev): -7.9300 -7.8881 -7.8872 -7.7928 -7.7855 -7.7349 -7.6562 -7.5794 -7.3553 -7.3480 -7.2337 -7.1606 -6.8598 -6.8255 -6.7828 -6.7825 -6.7338 -6.6911 -6.6348 -6.6271 -6.5574 -6.4709 -6.1428 -6.0991 -5.7575 -5.7389 -5.7225 -5.5890 -4.5699 -4.5454 -3.3085 -3.2662 -3.0660 -3.0391 -2.9847 -2.9631 -1.1090 -1.0678 -1.0558 -1.0408 -0.9489 -0.9415 -0.9142 -0.9078 -0.5614 -0.5603 -0.5251 -0.5221 -0.4928 -0.4756 -0.4728 -0.4466 3.8959 3.8960 5.6791 5.7383 6.3015 6.3465 6.4879 6.5322 7.3893 7.4063 k = 0.3214 0.5000 0.4448 ( 7124 PWs) bands (ev): -7.9252 -7.8860 -7.8840 -7.7971 -7.7793 -7.7361 -7.6576 -7.5847 -7.3558 -7.3477 -7.2391 -7.1691 -6.8549 -6.8221 -6.7787 -6.7781 -6.7341 -6.6918 -6.6369 -6.6318 -6.5550 -6.4747 -6.1108 -6.0645 -5.7413 -5.7294 -5.7124 -5.5764 -4.6355 -4.6100 -3.3330 -3.2917 -3.1000 -3.0728 -3.0230 -3.0028 -1.0760 -1.0368 -1.0239 -1.0092 -0.9317 -0.9266 -0.9090 -0.8995 -0.5418 -0.5415 -0.5068 -0.5059 -0.4799 -0.4643 -0.4543 -0.4294 3.8470 3.8470 5.7144 5.7769 6.2678 6.3148 6.4515 6.4933 7.3531 7.3710 k = 0.3393 0.5000 0.4448 ( 7128 PWs) bands (ev): -7.9202 -7.8848 -7.8805 -7.8034 -7.7709 -7.7365 -7.6595 -7.5909 -7.3553 -7.3465 -7.2445 -7.1780 -6.8500 -6.8192 -6.7753 -6.7739 -6.7338 -6.6922 -6.6391 -6.6369 -6.5519 -6.4785 -6.0778 -6.0291 -5.7253 -5.7203 -5.7037 -5.5650 -4.6984 -4.6720 -3.3571 -3.3177 -3.1302 -3.1039 -3.0580 -3.0396 -1.0462 -1.0096 -0.9960 -0.9811 -0.9163 -0.9133 -0.9043 -0.8915 -0.5236 -0.5224 -0.4884 -0.4877 -0.4693 -0.4548 -0.4349 -0.4123 3.8012 3.8014 5.7486 5.8145 6.2360 6.2854 6.4161 6.4551 7.3201 7.3382 k = 0.3571 0.5000 0.4448 ( 7132 PWs) bands (ev): -7.9150 -7.8835 -7.8774 -7.8099 -7.7623 -7.7360 -7.6616 -7.5979 -7.3539 -7.3445 -7.2497 -7.1873 -6.8454 -6.8170 -6.7723 -6.7703 -6.7328 -6.6925 -6.6421 -6.6414 -6.5485 -6.4826 -6.0441 -5.9933 -5.7119 -5.7096 -5.6964 -5.5553 -4.7580 -4.7309 -3.3802 -3.3436 -3.1567 -3.1324 -3.0893 -3.0731 -1.0198 -0.9863 -0.9721 -0.9564 -0.9033 -0.9017 -0.8993 -0.8838 -0.5055 -0.5038 -0.4705 -0.4689 -0.4594 -0.4462 -0.4166 -0.3964 3.7591 3.7593 5.7818 5.8510 6.2061 6.2584 6.3821 6.4179 7.2904 7.3082 k = 0.3750 0.5000 0.4448 ( 7132 PWs) bands (ev): -7.9097 -7.8823 -7.8748 -7.8165 -7.7537 -7.7349 -7.6641 -7.6056 -7.3517 -7.3418 -7.2545 -7.1968 -6.8409 -6.8153 -6.7697 -6.7673 -6.7312 -6.6928 -6.6471 -6.6437 -6.5447 -6.4866 -6.0099 -5.9575 -5.7044 -5.6956 -5.6895 -5.5475 -4.8135 -4.7861 -3.4016 -3.3686 -3.1798 -3.1583 -3.1168 -3.1030 -0.9967 -0.9665 -0.9521 -0.9354 -0.8966 -0.8915 -0.8901 -0.8766 -0.4878 -0.4858 -0.4532 -0.4514 -0.4496 -0.4384 -0.3999 -0.3821 3.7210 3.7212 5.8139 5.8863 6.1781 6.2342 6.3496 6.3817 7.2641 7.2809 k = 0.3929 0.5000 0.4448 ( 7120 PWs) bands (ev): -7.9043 -7.8812 -7.8726 -7.8231 -7.7452 -7.7330 -7.6666 -7.6136 -7.3490 -7.3386 -7.2587 -7.2064 -6.8367 -6.8142 -6.7674 -6.7647 -6.7289 -6.6930 -6.6517 -6.6461 -6.5408 -6.4907 -5.9758 -5.9225 -5.6981 -5.6899 -5.6767 -5.5423 -4.8642 -4.8370 -3.4210 -3.3920 -3.1996 -3.1816 -3.1403 -3.1292 -0.9768 -0.9501 -0.9356 -0.9187 -0.8917 -0.8828 -0.8804 -0.8701 -0.4709 -0.4686 -0.4409 -0.4372 -0.4349 -0.4311 -0.3852 -0.3698 3.6871 3.6874 5.8450 5.9206 6.1520 6.2128 6.3192 6.3469 7.2412 7.2567 k = 0.4107 0.5000 0.4448 ( 7120 PWs) bands (ev): -7.8989 -7.8802 -7.8709 -7.8296 -7.7371 -7.7306 -7.6689 -7.6221 -7.3458 -7.3353 -7.2623 -7.2160 -6.8328 -6.8136 -6.7655 -6.7628 -6.7260 -6.6937 -6.6556 -6.6485 -6.5368 -6.4948 -5.9423 -5.8893 -5.6932 -5.6888 -5.6618 -5.5401 -4.9091 -4.8830 -3.4377 -3.4132 -3.2163 -3.2019 -3.1600 -3.1516 -0.9601 -0.9368 -0.9225 -0.9074 -0.8851 -0.8754 -0.8726 -0.8643 -0.4553 -0.4528 -0.4324 -0.4249 -0.4228 -0.4207 -0.3725 -0.3595 3.6579 3.6582 5.8750 5.9537 6.1278 6.1941 6.2911 6.3137 7.2219 7.2356 k = 0.4286 0.5000 0.4448 ( 7136 PWs) bands (ev): -7.8937 -7.8793 -7.8694 -7.8361 -7.7297 -7.7278 -7.6709 -7.6307 -7.3425 -7.3323 -7.2648 -7.2254 -6.8292 -6.8136 -6.7639 -6.7614 -6.7227 -6.6949 -6.6585 -6.6510 -6.5327 -6.4990 -5.9101 -5.8592 -5.6901 -5.6901 -5.6466 -5.5414 -4.9470 -4.9232 -3.4515 -3.4317 -3.2300 -3.2191 -3.1759 -3.1699 -0.9462 -0.9265 -0.9123 -0.9015 -0.8766 -0.8694 -0.8665 -0.8595 -0.4418 -0.4389 -0.4247 -0.4195 -0.4107 -0.4088 -0.3619 -0.3514 3.6336 3.6339 5.9039 5.9853 6.1053 6.1780 6.2660 6.2825 7.2062 7.2177 k = 0.4464 0.5000 0.4448 ( 7140 PWs) bands (ev): -7.8887 -7.8786 -7.8679 -7.8424 -7.7248 -7.7236 -7.6717 -7.6393 -7.3391 -7.3300 -7.2657 -7.2344 -6.8259 -6.8141 -6.7626 -6.7606 -6.7190 -6.6969 -6.6603 -6.6533 -6.5286 -6.5032 -5.8800 -5.8343 -5.6927 -5.6887 -5.6311 -5.5465 -4.9768 -4.9569 -3.4620 -3.4470 -3.2406 -3.2329 -3.1882 -3.1841 -0.9350 -0.9191 -0.9049 -0.8986 -0.8686 -0.8647 -0.8618 -0.8558 -0.4307 -0.4274 -0.4181 -0.4154 -0.4009 -0.3994 -0.3533 -0.3454 3.6145 3.6147 5.9317 6.0144 6.0853 6.1636 6.2445 6.2545 7.1943 7.2032 k = 0.4643 0.5000 0.4448 ( 7128 PWs) bands (ev): -7.8843 -7.8782 -7.8659 -7.8484 -7.7217 -7.7192 -7.6708 -7.6477 -7.3357 -7.3288 -7.2647 -7.2428 -6.8229 -6.8149 -6.7615 -6.7601 -6.7151 -6.6997 -6.6608 -6.6555 -6.5243 -6.5074 -5.8532 -5.8173 -5.6953 -5.6893 -5.6152 -5.5555 -4.9976 -4.9830 -3.4690 -3.4589 -3.2480 -3.2432 -3.1967 -3.1943 -0.9262 -0.9147 -0.8998 -0.8970 -0.8626 -0.8613 -0.8580 -0.8532 -0.4223 -0.4187 -0.4131 -0.4127 -0.3937 -0.3926 -0.3468 -0.3415 3.6007 3.6008 5.9583 6.0340 6.0738 6.1491 6.2276 6.2318 7.1862 7.1923 k = 0.4821 0.5000 0.4448 ( 7120 PWs) bands (ev): -7.8810 -7.8783 -7.8631 -7.8540 -7.7191 -7.7172 -7.6677 -7.6555 -7.3327 -7.3289 -7.2617 -7.2504 -6.8203 -6.8163 -6.7607 -6.7599 -6.7110 -6.7031 -6.6604 -6.6575 -6.5200 -6.5116 -5.8311 -5.8109 -5.6960 -5.6915 -5.5988 -5.5679 -5.0085 -5.0009 -3.4722 -3.4672 -3.2521 -3.2498 -3.2017 -3.2005 -0.9197 -0.9136 -0.8968 -0.8959 -0.8596 -0.8594 -0.8547 -0.8520 -0.4166 -0.4135 -0.4111 -0.4101 -0.3892 -0.3887 -0.3423 -0.3397 3.5923 3.5924 5.9834 6.0269 6.0873 6.1318 6.2164 6.2171 7.1820 7.1851 k = 0.5000 0.5000 0.4448 ( 7112 PWs) bands (ev): -7.8791 -7.8791 -7.8590 -7.8590 -7.7174 -7.7174 -7.6624 -7.6624 -7.3303 -7.3303 -7.2568 -7.2568 -6.8181 -6.8181 -6.7602 -6.7602 -6.7069 -6.7069 -6.6592 -6.6592 -6.5158 -6.5158 -5.8161 -5.8161 -5.6943 -5.6943 -5.5827 -5.5827 -5.0095 -5.0095 -3.4716 -3.4716 -3.2527 -3.2527 -3.2029 -3.2029 -0.9154 -0.9154 -0.8957 -0.8957 -0.8587 -0.8587 -0.8525 -0.8525 -0.4135 -0.4135 -0.4096 -0.4096 -0.3875 -0.3875 -0.3400 -0.3400 3.5896 3.5896 6.0068 6.0068 6.1104 6.1104 6.2123 6.2123 7.1816 7.1816 k = 0.5000 0.5000 0.4448 ( 7112 PWs) bands (ev): -7.8791 -7.8791 -7.8590 -7.8590 -7.7174 -7.7174 -7.6624 -7.6624 -7.3303 -7.3303 -7.2568 -7.2568 -6.8181 -6.8181 -6.7602 -6.7602 -6.7069 -6.7069 -6.6592 -6.6592 -6.5158 -6.5158 -5.8161 -5.8161 -5.6943 -5.6943 -5.5827 -5.5827 -5.0095 -5.0095 -3.4716 -3.4716 -3.2527 -3.2527 -3.2029 -3.2029 -0.9154 -0.9154 -0.8957 -0.8957 -0.8587 -0.8587 -0.8525 -0.8525 -0.4135 -0.4135 -0.4096 -0.4096 -0.3875 -0.3875 -0.3400 -0.3400 3.5896 3.5896 6.0068 6.0068 6.1104 6.1104 6.2123 6.2123 7.1816 7.1816 k = 0.4875 0.4875 0.4448 ( 7114 PWs) bands (ev): -7.8808 -7.8786 -7.8628 -7.8542 -7.7191 -7.7171 -7.6677 -7.6555 -7.3327 -7.3288 -7.2617 -7.2504 -6.8203 -6.8163 -6.7607 -6.7599 -6.7109 -6.7031 -6.6604 -6.6575 -6.5200 -6.5116 -5.8311 -5.8107 -5.6963 -5.6913 -5.5984 -5.5681 -5.0086 -5.0010 -3.4722 -3.4672 -3.2521 -3.2499 -3.2017 -3.2005 -0.9197 -0.9135 -0.8968 -0.8960 -0.8595 -0.8594 -0.8547 -0.8520 -0.4169 -0.4130 -0.4113 -0.4100 -0.3892 -0.3886 -0.3423 -0.3397 3.5923 3.5923 5.9837 6.0267 6.0875 6.1316 6.2165 6.2169 7.1820 7.1850 k = 0.4750 0.4750 0.4448 ( 7114 PWs) bands (ev): -7.8830 -7.8804 -7.8643 -7.8491 -7.7222 -7.7183 -7.6716 -7.6473 -7.3359 -7.3283 -7.2651 -7.2426 -6.8229 -6.8149 -6.7615 -6.7600 -6.7149 -6.6997 -6.6613 -6.6551 -6.5241 -6.5075 -5.8539 -5.8158 -5.6974 -5.6882 -5.6127 -5.5564 -4.9981 -4.9836 -3.4690 -3.4591 -3.2479 -3.2441 -3.1968 -3.1941 -0.9268 -0.9137 -0.8995 -0.8975 -0.8621 -0.8617 -0.8580 -0.8529 -0.4244 -0.4165 -0.4139 -0.4116 -0.3937 -0.3928 -0.3465 -0.3412 3.6004 3.6006 5.9588 6.0341 6.0739 6.1486 6.2276 6.2312 7.1860 7.1921 k = 0.4625 0.4625 0.4448 ( 7134 PWs) bands (ev): -7.8854 -7.8846 -7.8633 -7.8443 -7.7260 -7.7209 -7.6744 -7.6381 -7.3397 -7.3286 -7.2673 -7.2336 -6.8261 -6.8139 -6.7628 -6.7604 -6.7186 -6.6970 -6.6619 -6.6521 -6.5282 -6.5035 -5.8827 -5.8311 -5.6980 -5.6869 -5.6228 -5.5484 -4.9785 -4.9586 -3.4619 -3.4473 -3.2405 -3.2360 -3.1880 -3.1830 -0.9370 -0.9159 -0.9044 -0.9002 -0.8675 -0.8655 -0.8616 -0.8550 -0.4358 -0.4246 -0.4171 -0.4132 -0.4013 -0.4001 -0.3523 -0.3441 3.6139 3.6141 5.9326 6.0152 6.0847 6.1628 6.2445 6.2535 7.1934 7.2024 k = 0.4500 0.4500 0.4448 ( 7134 PWs) bands (ev): -7.8899 -7.8880 -7.8610 -7.8399 -7.7298 -7.7245 -7.6764 -7.6282 -7.3437 -7.3294 -7.2684 -7.2236 -6.8298 -6.8131 -6.7643 -6.7611 -6.7218 -6.6950 -6.6623 -6.6483 -6.5320 -6.4996 -5.9159 -5.8552 -5.6984 -5.6887 -5.6274 -5.5441 -4.9511 -4.9270 -3.4509 -3.4319 -3.2305 -3.2263 -3.1749 -3.1667 -0.9507 -0.9202 -0.9121 -0.9041 -0.8749 -0.8706 -0.8655 -0.8579 -0.4504 -0.4362 -0.4212 -0.4160 -0.4121 -0.4109 -0.3590 -0.3481 3.6325 3.6327 5.9052 5.9867 6.1043 6.1766 6.2659 6.2812 7.2038 7.2156 k = 0.4375 0.4375 0.4448 ( 7126 PWs) bands (ev): -7.8957 -7.8908 -7.8580 -7.8362 -7.7333 -7.7291 -7.6780 -7.6179 -7.3475 -7.3307 -7.2687 -7.2127 -6.8341 -6.8126 -6.7662 -6.7621 -6.7243 -6.6937 -6.6624 -6.6439 -6.5354 -6.4957 -5.9521 -5.8860 -5.6990 -5.6933 -5.6274 -5.5427 -4.9172 -4.8902 -3.4360 -3.4128 -3.2187 -3.2156 -3.1569 -3.1453 -0.9684 -0.9290 -0.9215 -0.9092 -0.8828 -0.8770 -0.8705 -0.8617 -0.4675 -0.4506 -0.4284 -0.4280 -0.4229 -0.4183 -0.3661 -0.3528 3.6559 3.6562 5.8767 5.9555 6.1262 6.1919 6.2910 6.3119 7.2165 7.2311 k = 0.4250 0.4250 0.4448 ( 7126 PWs) bands (ev): -7.9016 -7.8938 -7.8546 -7.8333 -7.7359 -7.7346 -7.6794 -7.6078 -7.3507 -7.3322 -7.2685 -7.2012 -6.8392 -6.8125 -6.7685 -6.7635 -6.7260 -6.6931 -6.6625 -6.6392 -6.5384 -6.4920 -5.9904 -5.9214 -5.6998 -5.6994 -5.6250 -5.5437 -4.8783 -4.8492 -3.4174 -3.3903 -3.2055 -3.2038 -3.1338 -3.1189 -0.9906 -0.9462 -0.9296 -0.9158 -0.8904 -0.8843 -0.8765 -0.8663 -0.4862 -0.4671 -0.4469 -0.4455 -0.4295 -0.4225 -0.3734 -0.3580 3.6839 3.6842 5.8471 5.9229 6.1498 6.2098 6.3191 6.3447 7.2309 7.2479 k = 0.4125 0.4125 0.4448 ( 7130 PWs) bands (ev): -7.9076 -7.8971 -7.8509 -7.8315 -7.7408 -7.7376 -7.6807 -7.5980 -7.3530 -7.3339 -7.2679 -7.1892 -6.8452 -6.8128 -6.7713 -6.7654 -6.7268 -6.6930 -6.6625 -6.6345 -6.5408 -6.4885 -6.0299 -5.9596 -5.7063 -5.7012 -5.6213 -5.5461 -4.8355 -4.8052 -3.3950 -3.3645 -3.1912 -3.1907 -3.1059 -3.0881 -1.0173 -0.9705 -0.9383 -0.9238 -0.8977 -0.8924 -0.8835 -0.8716 -0.5056 -0.4850 -0.4696 -0.4676 -0.4355 -0.4275 -0.3806 -0.3636 3.7160 3.7163 5.8165 5.8892 6.1752 6.2304 6.3496 6.3788 7.2460 7.2652 k = 0.4000 0.4000 0.4448 ( 7126 PWs) bands (ev): -7.9135 -7.9006 -7.8470 -7.8307 -7.7476 -7.7380 -7.6818 -7.5889 -7.3540 -7.3357 -7.2671 -7.1769 -6.8521 -6.8134 -6.7747 -6.7676 -6.7265 -6.6934 -6.6624 -6.6300 -6.5423 -6.4853 -6.0698 -5.9992 -5.7135 -5.7030 -5.6171 -5.5492 -4.7901 -4.7588 -3.3691 -3.3355 -3.1763 -3.1758 -3.0735 -3.0535 -1.0488 -1.0009 -0.9482 -0.9334 -0.9052 -0.9013 -0.8913 -0.8775 -0.5249 -0.5038 -0.4955 -0.4931 -0.4419 -0.4334 -0.3879 -0.3696 3.7520 3.7521 5.7849 5.8544 6.2026 6.2539 6.3820 6.4140 7.2608 7.2819 k = 0.3875 0.3875 0.4448 ( 7134 PWs) bands (ev): -7.9194 -7.9045 -7.8429 -7.8309 -7.7549 -7.7375 -7.6828 -7.5809 -7.3533 -7.3375 -7.2662 -7.1645 -6.8600 -6.8145 -6.7789 -6.7703 -6.7253 -6.6942 -6.6623 -6.6263 -6.5428 -6.4823 -6.1095 -6.0392 -5.7208 -5.7055 -5.6125 -5.5524 -4.7427 -4.7108 -3.3399 -3.3036 -3.1603 -3.1591 -3.0371 -3.0156 -1.0849 -1.0369 -0.9598 -0.9447 -0.9138 -0.9111 -0.8992 -0.8838 -0.5434 -0.5270 -0.5216 -0.5201 -0.4488 -0.4401 -0.3952 -0.3760 3.7912 3.7913 5.7523 5.8186 6.2320 6.2803 6.4160 6.4500 7.2746 7.2971 k = 0.3750 0.3750 0.4448 ( 7130 PWs) bands (ev): -7.9250 -7.9086 -7.8387 -7.8321 -7.7625 -7.7360 -7.6836 -7.5742 -7.3509 -7.3393 -7.2651 -7.1519 -6.8690 -6.8161 -6.7836 -6.7732 -6.7231 -6.6951 -6.6621 -6.6234 -6.5420 -6.4796 -6.1485 -6.0788 -5.7280 -5.7085 -5.6076 -5.5552 -4.6941 -4.6616 -3.3078 -3.2692 -3.1428 -3.1410 -2.9973 -2.9749 -1.1253 -1.0780 -0.9729 -0.9577 -0.9243 -0.9221 -0.9063 -0.8901 -0.5617 -0.5585 -0.5518 -0.5386 -0.4561 -0.4476 -0.4026 -0.3828 3.8334 3.8335 5.7188 5.7818 6.2633 6.3093 6.4511 6.4864 7.2863 7.3099 k = 0.3625 0.3625 0.4448 ( 7126 PWs) bands (ev): -7.9306 -7.9130 -7.8347 -7.8342 -7.7703 -7.7341 -7.6839 -7.5692 -7.3463 -7.3409 -7.2640 -7.1394 -6.8791 -6.8183 -6.7890 -6.7762 -6.7201 -6.6962 -6.6619 -6.6217 -6.5399 -6.4771 -6.1864 -6.1175 -5.7349 -5.7120 -5.6024 -5.5572 -4.6446 -4.6118 -3.2733 -3.2328 -3.1235 -3.1215 -2.9545 -2.9319 -1.1696 -1.1236 -0.9878 -0.9724 -0.9373 -0.9346 -0.9122 -0.8962 -0.5932 -0.5890 -0.5740 -0.5554 -0.4639 -0.4556 -0.4099 -0.3900 3.8780 3.8783 5.6843 5.7442 6.2966 6.3409 6.4869 6.5229 7.2954 7.3195 k = 0.3500 0.3500 0.4448 ( 7130 PWs) bands (ev): -7.9361 -7.9178 -7.8370 -7.8310 -7.7779 -7.7318 -7.6837 -7.5658 -7.3425 -7.3398 -7.2628 -7.1269 -6.8903 -6.8216 -6.7948 -6.7793 -6.7162 -6.6973 -6.6616 -6.6212 -6.5365 -6.4751 -6.2228 -6.1547 -5.7413 -5.7159 -5.5969 -5.5582 -4.5948 -4.5617 -3.2369 -3.1950 -3.1025 -3.1006 -2.9092 -2.8871 -1.2169 -1.1729 -1.0045 -0.9889 -0.9524 -0.9488 -0.9170 -0.9017 -0.6301 -0.6246 -0.5885 -0.5710 -0.4719 -0.4642 -0.4173 -0.3975 3.9247 3.9252 5.6491 5.7058 6.3316 6.3747 6.5231 6.5591 7.3013 7.3253 k = 0.3375 0.3375 0.4448 ( 7136 PWs) bands (ev): -7.9415 -7.9227 -7.8405 -7.8283 -7.7847 -7.7295 -7.6829 -7.5642 -7.3438 -7.3312 -7.2615 -7.1146 -6.9026 -6.8263 -6.8006 -6.7825 -6.7116 -6.6985 -6.6613 -6.6217 -6.5321 -6.4734 -6.2575 -6.1903 -5.7470 -5.7198 -5.5910 -5.5581 -4.5447 -4.5114 -3.1994 -3.1565 -3.0797 -3.0782 -2.8617 -2.8409 -1.2666 -1.2248 -1.0229 -1.0072 -0.9693 -0.9648 -0.9208 -0.9065 -0.6690 -0.6625 -0.6007 -0.5851 -0.4802 -0.4732 -0.4248 -0.4053 3.9731 3.9740 5.6133 5.6668 6.3681 6.4106 6.5590 6.5944 7.3037 7.3270 k = 0.3250 0.3250 0.4448 ( 7136 PWs) bands (ev): -7.9467 -7.9278 -7.8447 -7.8274 -7.7896 -7.7272 -7.6815 -7.5642 -7.3450 -7.3210 -7.2601 -7.1026 -6.9161 -6.8330 -6.8060 -6.7858 -6.7062 -6.6995 -6.6609 -6.6230 -6.5269 -6.4721 -6.2902 -6.2238 -5.7515 -5.7236 -5.5848 -5.5569 -4.4947 -4.4611 -3.1616 -3.1182 -3.0551 -3.0543 -2.8124 -2.7936 -1.3175 -1.2782 -1.0431 -1.0274 -0.9880 -0.9825 -0.9236 -0.9104 -0.7095 -0.7021 -0.6114 -0.5979 -0.4886 -0.4825 -0.4324 -0.4134 4.0229 4.0242 5.5770 5.6273 6.4057 6.4481 6.5941 6.6282 7.3026 7.3248 k = 0.3125 0.3125 0.4448 ( 7144 PWs) bands (ev): -7.9517 -7.9331 -7.8495 -7.8298 -7.7916 -7.7250 -7.6795 -7.5658 -7.3459 -7.3095 -7.2582 -7.0909 -6.9307 -6.8420 -6.8107 -6.7890 -6.7004 -6.7003 -6.6605 -6.6250 -6.5213 -6.4713 -6.3208 -6.2551 -5.7548 -5.7268 -5.5782 -5.5546 -4.4447 -4.4110 -3.1244 -3.0812 -3.0290 -3.0287 -2.7618 -2.7458 -1.3687 -1.3320 -1.0652 -1.0494 -1.0083 -1.0020 -0.9254 -0.9133 -0.7512 -0.7431 -0.6206 -0.6092 -0.4972 -0.4919 -0.4400 -0.4217 4.0737 4.0755 5.5403 5.5876 6.4439 6.4868 6.6278 6.6596 7.2982 7.3187 k = 0.3000 0.3000 0.4448 ( 7130 PWs) bands (ev): -7.9566 -7.9384 -7.8548 -7.8352 -7.7903 -7.7229 -7.6771 -7.5685 -7.3465 -7.2973 -7.2554 -7.0796 -6.9461 -6.8531 -6.8147 -6.7923 -6.7012 -6.6939 -6.6600 -6.6275 -6.5155 -6.4709 -6.3491 -6.2840 -5.7565 -5.7290 -5.5713 -5.5514 -4.3948 -4.3610 -3.0889 -3.0465 -3.0021 -3.0006 -2.7100 -2.6977 -1.4189 -1.3850 -1.0891 -1.0733 -1.0299 -1.0230 -0.9259 -0.9149 -0.7939 -0.7850 -0.6284 -0.6193 -0.5057 -0.5013 -0.4477 -0.4301 4.1252 4.1275 5.5036 5.5478 6.4821 6.5260 6.6593 6.6878 7.2909 7.3092 k = 0.2875 0.2875 0.4448 ( 7130 PWs) bands (ev): -7.9613 -7.9437 -7.8608 -7.8430 -7.7869 -7.7209 -7.6743 -7.5724 -7.3469 -7.2858 -7.2510 -7.0687 -6.9623 -6.8662 -6.8184 -6.7956 -6.7018 -6.6872 -6.6593 -6.6302 -6.5098 -6.4710 -6.3752 -6.3105 -5.7565 -5.7301 -5.5641 -5.5473 -4.3451 -4.3113 -3.0559 -3.0154 -2.9739 -2.9713 -2.6574 -2.6497 -1.4669 -1.4359 -1.1148 -1.0990 -1.0529 -1.0456 -0.9251 -0.9153 -0.8373 -0.8277 -0.6351 -0.6281 -0.5141 -0.5106 -0.4554 -0.4386 4.1771 4.1801 5.4669 5.5083 6.5192 6.5650 6.6878 6.7115 7.2810 7.2969 k = 0.2750 0.2750 0.4448 ( 7132 PWs) bands (ev): -7.9659 -7.9491 -7.8674 -7.8519 -7.7823 -7.7188 -7.6714 -7.5771 -7.3471 -7.2767 -7.2432 -7.0584 -6.9791 -6.8808 -6.8219 -6.7989 -6.7024 -6.6805 -6.6583 -6.6332 -6.5043 -6.4718 -6.3989 -6.3346 -5.7546 -5.7296 -5.5566 -5.5424 -4.2956 -4.2619 -3.0264 -2.9892 -2.9443 -2.9412 -2.6046 -2.6021 -1.5116 -1.4836 -1.1421 -1.1265 -1.0769 -1.0695 -0.9230 -0.9142 -0.8812 -0.8707 -0.6407 -0.6356 -0.5224 -0.5198 -0.4632 -0.4472 4.2292 4.2327 5.4306 5.4692 6.5542 6.6027 6.7123 6.7296 7.2689 7.2822 k = 0.2625 0.2625 0.4448 ( 7140 PWs) bands (ev): -7.9704 -7.9544 -7.8744 -7.8614 -7.7770 -7.7166 -7.6685 -7.5826 -7.3469 -7.2710 -7.2315 -7.0487 -6.9962 -6.8966 -6.8254 -6.8023 -6.7027 -6.6743 -6.6567 -6.6364 -6.4992 -6.4733 -6.4202 -6.3564 -5.7507 -5.7274 -5.5488 -5.5369 -4.2464 -4.2127 -3.0013 -2.9689 -2.9136 -2.9108 -2.5551 -2.5518 -1.5517 -1.5267 -1.1710 -1.1557 -1.1018 -1.0945 -0.9256 -0.9225 -0.9110 -0.9106 -0.6453 -0.6421 -0.5306 -0.5287 -0.4709 -0.4558 4.2810 4.2853 5.3948 5.4307 6.5854 6.6377 6.7319 6.7408 7.2547 7.2655 k = 0.2500 0.2500 0.4448 ( 7144 PWs) bands (ev): -7.9747 -7.9596 -7.8818 -7.8713 -7.7714 -7.7142 -7.6658 -7.5886 -7.3463 -7.2676 -7.2168 -7.0402 -7.0128 -6.9134 -6.8290 -6.8057 -6.7029 -6.6694 -6.6537 -6.6396 -6.4947 -6.4758 -6.4389 -6.3759 -5.7446 -5.7233 -5.5409 -5.5308 -4.1973 -4.1638 -2.9820 -2.9556 -2.8817 -2.8803 -2.5091 -2.4998 -1.5861 -1.5642 -1.2014 -1.1864 -1.1274 -1.1203 -0.9696 -0.9594 -0.9115 -0.9066 -0.6489 -0.6474 -0.5385 -0.5373 -0.4785 -0.4644 4.3324 4.3375 5.3598 5.3930 6.6109 6.6682 6.7441 6.7459 7.2386 7.2472 k = 0.2375 0.2375 0.4448 ( 7144 PWs) bands (ev): -7.9788 -7.9647 -7.8896 -7.8812 -7.7655 -7.7118 -7.6634 -7.5950 -7.3454 -7.2656 -7.2005 -7.0383 -7.0233 -6.9309 -6.8326 -6.8092 -6.7030 -6.6664 -6.6490 -6.6428 -6.4908 -6.4800 -6.4544 -6.3932 -5.7363 -5.7171 -5.5327 -5.5243 -4.1485 -4.1152 -2.9698 -2.9501 -2.8492 -2.8487 -2.4645 -2.4492 -1.6139 -1.5950 -1.2329 -1.2183 -1.1534 -1.1468 -1.0137 -1.0027 -0.9039 -0.9000 -0.6516 -0.6516 -0.5462 -0.5456 -0.4861 -0.4729 4.3831 4.3890 5.3256 5.3563 6.6288 6.6921 6.7390 6.7535 7.2205 7.2274 k = 0.2250 0.2250 0.4448 ( 7124 PWs) bands (ev): -7.9827 -7.9697 -7.8976 -7.8911 -7.7595 -7.7092 -7.6613 -7.6016 -7.3440 -7.2641 -7.1834 -7.0518 -7.0187 -6.9489 -6.8362 -6.8126 -6.7028 -6.6648 -6.6459 -6.6430 -6.4875 -6.4871 -6.4653 -6.4085 -5.7257 -5.7087 -5.5244 -5.5173 -4.0999 -4.0669 -2.9661 -2.9530 -2.8173 -2.8147 -2.4218 -2.4008 -1.6343 -1.6185 -1.2653 -1.2514 -1.1796 -1.1736 -1.0576 -1.0462 -0.8939 -0.8913 -0.6548 -0.6533 -0.5536 -0.5535 -0.4935 -0.4813 4.4329 4.4397 5.2925 5.3208 6.6375 6.7071 6.7254 6.7539 7.2006 7.2063 k = 0.2125 0.2125 0.4448 ( 7136 PWs) bands (ev): -7.9866 -7.9745 -7.9059 -7.9010 -7.7535 -7.7065 -7.6598 -7.6085 -7.3423 -7.2631 -7.1661 -7.0682 -7.0113 -6.9672 -6.8401 -6.8162 -6.7027 -6.6641 -6.6491 -6.6367 -6.4971 -6.4849 -6.4720 -6.4220 -5.7131 -5.6982 -5.5161 -5.5101 -4.0516 -4.0189 -2.9714 -2.9642 -2.7841 -2.7797 -2.3817 -2.3555 -1.6472 -1.6344 -1.2984 -1.2852 -1.2057 -1.2004 -1.1013 -1.0896 -0.8816 -0.8805 -0.6570 -0.6542 -0.5610 -0.5607 -0.5008 -0.4895 4.4814 4.4892 5.2604 5.2865 6.6364 6.7041 6.7119 6.7465 7.1791 7.1842 k = 0.2000 0.2000 0.4448 ( 7132 PWs) bands (ev): -7.9902 -7.9792 -7.9142 -7.9107 -7.7475 -7.7038 -7.6586 -7.6154 -7.3401 -7.2621 -7.1487 -7.0846 -7.0038 -6.9855 -6.8440 -6.8198 -6.7023 -6.6638 -6.6521 -6.6307 -6.5078 -6.4831 -6.4765 -6.4338 -5.6984 -5.6856 -5.5077 -5.5027 -4.0037 -3.9714 -2.9856 -2.9832 -2.7497 -2.7439 -2.3448 -2.3142 -1.6526 -1.6427 -1.3318 -1.3195 -1.2314 -1.2268 -1.1446 -1.1327 -0.8675 -0.8672 -0.6581 -0.6542 -0.5681 -0.5674 -0.5078 -0.4975 4.5286 4.5372 5.2296 5.2535 6.6262 6.6764 6.7061 6.7313 7.1566 7.1617 k = 0.1875 0.1875 0.4448 ( 7136 PWs) bands (ev): -7.9937 -7.9837 -7.9225 -7.9202 -7.7416 -7.7011 -7.6581 -7.6223 -7.3375 -7.2612 -7.1315 -7.1003 -7.0036 -6.9965 -6.8481 -6.8236 -6.7018 -6.6638 -6.6550 -6.6255 -6.5176 -6.4820 -6.4802 -6.4441 -5.6818 -5.6709 -5.4994 -5.4952 -3.9562 -3.9244 -3.0094 -3.0079 -2.7143 -2.7072 -2.3119 -2.2778 -1.6508 -1.6440 -1.3651 -1.3539 -1.2565 -1.2526 -1.1876 -1.1755 -0.8523 -0.8507 -0.6582 -0.6534 -0.5749 -0.5738 -0.5147 -0.5052 4.5742 4.5836 5.2001 5.2219 6.6084 6.6438 6.6910 6.7092 7.1338 7.1391 k = 0.1750 0.1750 0.4448 ( 7130 PWs) bands (ev): -7.9969 -7.9879 -7.9307 -7.9294 -7.7358 -7.6983 -7.6582 -7.6291 -7.3343 -7.2604 -7.1153 -7.1149 -7.0210 -6.9896 -6.8521 -6.8274 -6.7013 -6.6640 -6.6577 -6.6213 -6.5258 -6.4836 -6.4815 -6.4529 -5.6636 -5.6544 -5.4912 -5.4877 -3.9092 -3.8781 -3.0415 -3.0370 -2.6778 -2.6700 -2.2837 -2.2471 -1.6427 -1.6390 -1.3981 -1.3880 -1.2807 -1.2774 -1.2302 -1.2177 -0.8351 -0.8322 -0.6574 -0.6516 -0.5811 -0.5799 -0.5212 -0.5126 4.6179 4.6281 5.1719 5.1916 6.5851 6.6082 6.6687 6.6819 7.1111 7.1169 k = 0.1625 0.1625 0.4448 ( 7142 PWs) bands (ev): -7.9999 -7.9919 -7.9388 -7.9382 -7.7302 -7.6958 -7.6587 -7.6357 -7.3307 -7.2595 -7.1295 -7.0998 -7.0372 -6.9830 -6.8564 -6.8315 -6.7006 -6.6644 -6.6603 -6.6188 -6.5322 -6.4869 -6.4819 -6.4605 -5.6439 -5.6363 -5.4831 -5.4803 -3.8630 -3.8326 -3.0783 -3.0717 -2.6407 -2.6322 -2.2607 -2.2225 -1.6293 -1.6286 -1.4302 -1.4214 -1.3044 -1.3011 -1.2721 -1.2589 -0.8160 -0.8120 -0.6555 -0.6490 -0.5869 -0.5857 -0.5275 -0.5198 4.6595 4.6704 5.1449 5.1627 6.5581 6.5713 6.6417 6.6514 7.0889 7.0952 k = 0.1500 0.1500 0.4448 ( 7150 PWs) bands (ev): -8.0028 -7.9956 -7.9467 -7.9467 -7.7248 -7.6933 -7.6597 -7.6422 -7.3265 -7.2586 -7.1427 -7.0888 -7.0491 -6.9767 -6.8606 -6.8357 -6.6998 -6.6649 -6.6627 -6.6180 -6.5364 -6.4899 -6.4830 -6.4668 -5.6232 -5.6169 -5.4753 -5.4730 -3.8177 -3.7881 -3.1185 -3.1105 -2.6029 -2.5940 -2.2432 -2.2044 -1.6142 -1.6117 -1.4610 -1.4539 -1.3288 -1.3256 -1.3112 -1.2975 -0.7954 -0.7905 -0.6527 -0.6455 -0.5923 -0.5910 -0.5334 -0.5265 4.6989 4.7103 5.1193 5.1352 6.5294 6.5346 6.6121 6.6193 7.0677 7.0743 k = 0.1375 0.1375 0.4448 ( 7154 PWs) bands (ev): -8.0053 -7.9990 -7.9548 -7.9543 -7.7196 -7.6910 -7.6612 -7.6482 -7.3218 -7.2576 -7.1550 -7.0895 -7.0493 -6.9706 -6.8650 -6.8401 -6.6988 -6.6655 -6.6649 -6.6192 -6.5385 -6.4928 -6.4849 -6.4719 -5.6015 -5.5965 -5.4679 -5.4659 -3.7734 -3.7449 -3.1608 -3.1519 -2.5649 -2.5557 -2.2312 -2.1925 -1.5973 -1.5912 -1.4899 -1.4849 -1.3601 -1.3582 -1.3380 -1.3287 -0.7736 -0.7680 -0.6491 -0.6412 -0.5972 -0.5960 -0.5389 -0.5328 4.7358 4.7476 5.0949 5.1090 6.4996 6.5006 6.5817 6.5870 7.0477 7.0545 k = 0.1250 0.1250 0.4448 ( 7142 PWs) bands (ev): -8.0075 -8.0020 -7.9624 -7.9616 -7.7145 -7.6888 -7.6629 -7.6538 -7.3165 -7.2565 -7.1662 -7.1008 -7.0387 -6.9647 -6.8693 -6.8448 -6.6976 -6.6667 -6.6661 -6.6220 -6.5386 -6.4955 -6.4874 -6.4759 -5.5795 -5.5754 -5.4607 -5.4591 -3.7306 -3.7032 -3.2039 -3.1947 -2.5268 -2.5175 -2.2242 -2.1865 -1.5802 -1.5693 -1.5152 -1.5141 -1.4000 -1.3945 -1.3566 -1.3506 -0.7511 -0.7452 -0.6445 -0.6361 -0.6016 -0.6005 -0.5440 -0.5387 4.7701 4.7820 5.0719 5.0843 6.4676 6.4732 6.5517 6.5557 7.0291 7.0358 k = 0.1125 0.1125 0.4448 ( 7144 PWs) bands (ev): -8.0095 -8.0048 -7.9696 -7.9686 -7.7098 -7.6868 -7.6650 -7.6590 -7.3107 -7.2552 -7.1765 -7.1152 -7.0251 -6.9591 -6.8737 -6.8497 -6.6962 -6.6684 -6.6668 -6.6261 -6.5372 -6.4979 -6.4903 -6.4792 -5.5574 -5.5541 -5.4540 -5.4527 -3.6895 -3.6635 -3.2467 -3.2375 -2.4889 -2.4796 -2.2218 -2.1857 -1.5712 -1.5511 -1.5371 -1.5295 -1.4399 -1.4332 -1.3723 -1.3675 -0.7286 -0.7227 -0.6393 -0.6302 -0.6054 -0.6047 -0.5487 -0.5441 4.8015 4.8133 5.0502 5.0609 6.4395 6.4484 6.5229 6.5260 7.0120 7.0185 k = 0.1000 0.1000 0.4448 ( 7146 PWs) bands (ev): -8.0112 -8.0071 -7.9762 -7.9751 -7.7054 -7.6852 -7.6672 -7.6638 -7.3043 -7.2538 -7.1859 -7.1301 -7.0111 -6.9537 -6.8782 -6.8551 -6.6948 -6.6698 -6.6675 -6.6312 -6.5349 -6.5001 -6.4933 -6.4822 -5.5357 -5.5331 -5.4478 -5.4468 -3.6504 -3.6261 -3.2882 -3.2793 -2.4516 -2.4425 -2.2231 -2.1892 -1.5821 -1.5691 -1.5223 -1.5218 -1.4788 -1.4718 -1.3856 -1.3813 -0.7067 -0.7013 -0.6335 -0.6235 -0.6085 -0.6084 -0.5529 -0.5491 4.8300 4.8415 5.0299 5.0391 6.4161 6.4272 6.4961 6.4986 6.9966 7.0027 k = 0.0875 0.0875 0.4448 ( 7150 PWs) bands (ev): -8.0125 -8.0091 -7.9824 -7.9811 -7.7013 -7.6838 -7.6695 -7.6680 -7.2975 -7.2523 -7.1944 -7.1448 -6.9972 -6.9484 -6.8827 -6.8607 -6.6931 -6.6710 -6.6683 -6.6367 -6.5319 -6.5020 -6.4961 -6.4850 -5.5149 -5.5129 -5.4422 -5.4414 -3.6139 -3.5916 -3.3273 -3.3190 -2.4153 -2.4065 -2.2272 -2.1961 -1.6007 -1.5917 -1.5168 -1.5095 -1.5048 -1.5015 -1.3968 -1.3929 -0.6863 -0.6817 -0.6275 -0.6167 -0.6111 -0.6104 -0.5567 -0.5535 4.8555 4.8662 5.0113 5.0189 6.3979 6.4101 6.4717 6.4738 6.9829 6.9885 k = 0.0750 0.0750 0.4448 ( 7146 PWs) bands (ev): -8.0134 -8.0106 -7.9879 -7.9867 -7.6974 -7.6828 -7.6717 -7.6717 -7.2900 -7.2505 -7.2021 -7.1591 -6.9836 -6.9433 -6.8871 -6.8668 -6.6911 -6.6719 -6.6691 -6.6424 -6.5285 -6.5036 -6.4986 -6.4878 -5.4954 -5.4939 -5.4373 -5.4366 -3.5804 -3.5603 -3.3631 -3.3556 -2.3806 -2.3723 -2.2332 -2.2053 -1.6189 -1.6120 -1.5522 -1.5452 -1.4873 -1.4828 -1.4060 -1.4026 -0.6684 -0.6647 -0.6230 -0.6157 -0.6092 -0.6066 -0.5600 -0.5574 4.8777 4.8875 4.9944 5.0007 6.3851 6.3974 6.4501 6.4518 6.9709 6.9759 k = 0.0625 0.0625 0.4448 ( 7152 PWs) bands (ev): -8.0139 -8.0117 -7.9930 -7.9919 -7.6939 -7.6820 -7.6748 -7.6738 -7.2820 -7.2485 -7.2090 -7.1729 -6.9706 -6.9383 -6.8917 -6.8734 -6.6889 -6.6726 -6.6699 -6.6481 -6.5249 -6.5050 -6.5008 -6.4907 -5.4778 -5.4766 -5.4331 -5.4325 -3.5503 -3.5329 -3.3949 -3.3884 -2.3482 -2.3406 -2.2401 -2.2159 -1.6349 -1.6296 -1.5850 -1.5786 -1.4711 -1.4664 -1.4134 -1.4105 -0.6536 -0.6509 -0.6220 -0.6180 -0.6032 -0.5979 -0.5627 -0.5607 4.8967 4.9053 4.9795 4.9845 6.3774 6.3890 6.4314 6.4330 6.9608 6.9651 k = 0.0500 0.0500 0.4448 ( 7164 PWs) bands (ev): -8.0140 -8.0123 -7.9974 -7.9965 -7.6908 -7.6817 -7.6773 -7.6757 -7.2736 -7.2462 -7.2152 -7.1863 -6.9582 -6.9334 -6.8962 -6.8806 -6.6864 -6.6731 -6.6707 -6.6537 -6.5213 -6.5060 -6.5028 -6.4938 -5.4624 -5.4615 -5.4297 -5.4293 -3.5244 -3.5099 -3.4219 -3.4165 -2.3190 -2.3124 -2.2467 -2.2267 -1.6484 -1.6443 -1.6142 -1.6085 -1.4570 -1.4528 -1.4192 -1.4168 -0.6423 -0.6404 -0.6226 -0.6201 -0.5944 -0.5888 -0.5650 -0.5635 4.9125 4.9196 4.9669 4.9707 6.3742 6.3843 6.4158 6.4174 6.9526 6.9561 k = 0.0375 0.0375 0.4448 ( 7156 PWs) bands (ev): -8.0136 -8.0124 -8.0013 -8.0005 -7.6881 -7.6816 -7.6792 -7.6774 -7.2645 -7.2437 -7.2208 -7.1991 -6.9463 -6.9286 -6.9007 -6.8881 -6.6836 -6.6733 -6.6714 -6.6590 -6.5176 -6.5067 -6.5042 -6.4969 -5.4495 -5.4489 -5.4273 -5.4270 -3.5030 -3.4918 -3.4434 -3.4393 -2.2941 -2.2887 -2.2523 -2.2369 -1.6590 -1.6560 -1.6386 -1.6340 -1.4456 -1.4421 -1.4234 -1.4217 -0.6343 -0.6329 -0.6235 -0.6218 -0.5854 -0.5807 -0.5668 -0.5656 4.9250 4.9304 4.9568 4.9595 6.3746 6.3825 6.4035 6.4050 6.9463 6.9489 k = 0.0250 0.0250 0.4448 ( 7160 PWs) bands (ev): -8.0127 -8.0119 -8.0046 -8.0040 -7.6857 -7.6817 -7.6806 -7.6789 -7.2550 -7.2409 -7.2258 -7.2113 -6.9351 -6.9238 -6.9053 -6.8963 -6.6804 -6.6734 -6.6720 -6.6641 -6.5140 -6.5070 -6.5054 -6.5001 -5.4396 -5.4392 -5.4261 -5.4258 -3.4867 -3.4790 -3.4590 -3.4561 -2.2746 -2.2708 -2.2561 -2.2457 -1.6665 -1.6645 -1.6571 -1.6539 -1.4370 -1.4347 -1.4263 -1.4252 -0.6289 -0.6280 -0.6242 -0.6231 -0.5776 -0.5744 -0.5680 -0.5672 4.9342 4.9377 4.9496 4.9512 6.3772 6.3824 6.3943 6.3959 6.9419 6.9436 k = 0.0125 0.0125 0.4448 ( 7154 PWs) bands (ev): -8.0113 -8.0109 -8.0073 -8.0070 -7.6836 -7.6819 -7.6814 -7.6803 -7.2448 -7.2377 -7.2302 -7.2230 -6.9245 -6.9191 -6.9098 -6.9051 -6.6769 -6.6733 -6.6725 -6.6687 -6.5104 -6.5071 -6.5063 -6.5034 -5.4325 -5.4323 -5.4262 -5.4261 -3.4759 -3.4721 -3.4682 -3.4667 -2.2619 -2.2598 -2.2575 -2.2523 -1.6708 -1.6699 -1.6684 -1.6668 -1.4315 -1.4305 -1.4278 -1.4275 -0.6257 -0.6252 -0.6245 -0.6240 -0.5722 -0.5706 -0.5688 -0.5682 4.9402 4.9417 4.9453 4.9458 6.3809 6.3832 6.3883 6.3895 6.9396 6.9403 k = 0.0000 0.0000 0.4448 ( 7170 PWs) bands (ev): -8.0094 -8.0094 -8.0094 -8.0094 -7.6818 -7.6818 -7.6818 -7.6818 -7.2342 -7.2342 -7.2342 -7.2342 -6.9145 -6.9145 -6.9145 -6.9145 -6.6730 -6.6730 -6.6730 -6.6730 -6.5069 -6.5069 -6.5069 -6.5069 -5.4281 -5.4281 -5.4281 -5.4281 -3.4709 -3.4709 -3.4709 -3.4709 -2.2565 -2.2565 -2.2565 -2.2565 -1.6719 -1.6719 -1.6719 -1.6719 -1.4288 -1.4288 -1.4288 -1.4288 -0.6245 -0.6245 -0.6245 -0.6245 -0.5693 -0.5693 -0.5693 -0.5693 4.9433 4.9433 4.9433 4.9433 6.3848 6.3848 6.3848 6.3848 6.9396 6.9396 k = 0.0000 0.5000-0.0000 ( 7094 PWs) bands (ev): -8.0063 -8.0063 -7.9367 -7.9367 -7.6847 -7.6847 -7.5991 -7.5991 -7.2953 -7.2953 -7.2649 -7.2649 -6.9020 -6.9020 -6.8448 -6.8448 -6.6937 -6.6937 -6.6480 -6.6480 -6.5449 -6.5449 -6.4564 -6.4564 -5.5340 -5.5340 -5.4837 -5.4837 -3.5919 -3.5919 -3.5664 -3.5664 -2.3832 -2.3832 -2.3782 -2.3782 -1.4332 -1.4332 -1.4191 -1.4191 -1.0726 -1.0726 -1.0672 -1.0672 -0.9749 -0.9749 -0.9475 -0.9475 -0.7921 -0.7921 -0.7868 -0.7868 5.0092 5.0092 5.0265 5.0265 5.9335 5.9335 5.9574 5.9574 8.0134 8.0134 k = 0.0000 0.5000 0.0178 ( 7126 PWs) bands (ev): -8.0069 -8.0054 -7.9404 -7.9327 -7.6875 -7.6821 -7.6008 -7.5978 -7.3021 -7.2879 -7.2715 -7.2578 -6.9124 -6.8919 -6.8529 -6.8371 -6.6954 -6.6920 -6.6484 -6.6479 -6.5459 -6.5437 -6.4573 -6.4556 -5.5401 -5.5308 -5.4851 -5.4850 -3.5930 -3.5894 -3.5658 -3.5657 -2.3838 -2.3820 -2.3793 -2.3765 -1.4333 -1.4330 -1.4215 -1.4165 -1.0743 -1.0729 -1.0701 -1.0679 -0.9789 -0.9740 -0.9506 -0.9505 -0.7944 -0.7839 -0.7833 -0.7819 5.0059 5.0115 5.0241 5.0277 5.9365 5.9365 5.9591 5.9616 8.0092 8.0102 k = 0.0000 0.5000 0.0356 ( 7126 PWs) bands (ev): -8.0071 -8.0039 -7.9437 -7.9283 -7.6905 -7.6796 -7.6027 -7.5967 -7.3080 -7.2798 -7.2773 -7.2500 -6.9228 -6.8819 -6.8610 -6.8295 -6.6969 -6.6902 -6.6489 -6.6480 -6.5463 -6.5421 -6.4578 -6.4544 -5.5487 -5.5301 -5.4891 -5.4888 -3.5926 -3.5855 -3.5639 -3.5636 -2.3838 -2.3801 -2.3798 -2.3742 -1.4331 -1.4327 -1.4238 -1.4137 -1.0777 -1.0761 -1.0749 -1.0721 -0.9845 -0.9766 -0.9589 -0.9583 -0.7899 -0.7739 -0.7703 -0.7695 5.0016 5.0126 5.0205 5.0276 5.9453 5.9454 5.9667 5.9716 7.9979 7.9999 k = 0.0000 0.5000 0.0534 ( 7126 PWs) bands (ev): -8.0068 -8.0021 -7.9465 -7.9236 -7.6937 -7.6773 -7.6048 -7.5958 -7.3132 -7.2824 -7.2710 -7.2416 -6.9333 -6.8723 -6.8692 -6.8221 -6.6981 -6.6882 -6.6496 -6.6483 -6.5464 -6.5401 -6.4581 -6.4530 -5.5597 -5.5320 -5.4956 -5.4953 -3.5908 -3.5802 -3.5606 -3.5601 -2.3831 -2.3796 -2.3777 -2.3713 -1.4331 -1.4326 -1.4266 -1.4108 -1.0842 -1.0828 -1.0791 -1.0784 -0.9907 -0.9820 -0.9704 -0.9686 -0.7795 -0.7591 -0.7543 -0.7524 4.9965 5.0126 5.0159 5.0263 5.9597 5.9602 5.9801 5.9871 7.9797 7.9876 k = 0.0000 0.5000 0.0712 ( 7126 PWs) bands (ev): -8.0061 -7.9997 -7.9490 -7.9185 -7.6970 -7.6751 -7.6070 -7.5953 -7.3175 -7.2867 -7.2617 -7.2328 -6.9437 -6.8774 -6.8630 -6.8151 -6.6992 -6.6862 -6.6506 -6.6487 -6.5461 -6.5377 -6.4583 -6.4514 -5.5732 -5.5364 -5.5045 -5.5043 -3.5875 -3.5735 -3.5560 -3.5555 -2.3817 -2.3788 -2.3747 -2.3679 -1.4338 -1.4334 -1.4307 -1.4086 -1.0928 -1.0887 -1.0879 -1.0827 -0.9968 -0.9891 -0.9831 -0.9796 -0.7649 -0.7413 -0.7358 -0.7334 4.9907 5.0105 5.0116 5.0239 5.9797 5.9807 5.9992 6.0081 7.9559 7.9615 k = 0.0000 0.5000 0.0890 ( 7110 PWs) bands (ev): -8.0050 -7.9970 -7.9511 -7.9131 -7.7003 -7.6731 -7.6095 -7.5950 -7.3210 -7.2901 -7.2518 -7.2235 -6.9539 -6.8855 -6.8542 -6.8084 -6.6998 -6.6841 -6.6516 -6.6492 -6.5453 -6.5349 -6.4581 -6.4494 -5.5888 -5.5432 -5.5157 -5.5155 -3.5829 -3.5657 -3.5502 -3.5496 -2.3796 -2.3774 -2.3712 -2.3638 -1.4368 -1.4359 -1.4358 -1.4079 -1.1002 -1.0972 -1.0945 -1.0870 -1.0027 -0.9967 -0.9957 -0.9900 -0.7477 -0.7222 -0.7161 -0.7136 4.9844 5.0044 5.0096 5.0204 6.0048 6.0067 6.0238 6.0343 7.9269 7.9286 k = 0.0000 0.5000 0.1067 ( 7100 PWs) bands (ev): -8.0036 -7.9938 -7.9528 -7.9076 -7.7038 -7.6712 -7.6121 -7.5950 -7.3237 -7.2927 -7.2415 -7.2139 -6.9639 -6.8934 -6.8459 -6.8022 -6.7000 -6.6821 -6.6529 -6.6498 -6.5441 -6.5318 -6.4578 -6.4473 -5.6065 -5.5522 -5.5294 -5.5286 -3.5770 -3.5568 -3.5433 -3.5427 -2.3767 -2.3753 -2.3672 -2.3593 -1.4457 -1.4408 -1.4402 -1.4097 -1.1052 -1.1050 -1.0992 -1.0902 -1.0085 -1.0076 -1.0044 -0.9994 -0.7292 -0.7027 -0.6961 -0.6937 4.9778 4.9978 5.0067 5.0159 6.0349 6.0379 6.0536 6.0653 7.8910 7.8935 k = 0.0000 0.5000 0.1245 ( 7102 PWs) bands (ev): -8.0020 -7.9902 -7.9543 -7.9019 -7.7073 -7.6695 -7.6149 -7.5954 -7.3255 -7.2944 -7.2310 -7.2042 -6.9736 -6.9012 -6.8385 -6.7966 -6.6999 -6.6800 -6.6542 -6.6504 -6.5425 -6.5285 -6.4574 -6.4450 -5.6259 -5.5633 -5.5451 -5.5435 -3.5699 -3.5469 -3.5353 -3.5348 -2.3732 -2.3726 -2.3627 -2.3542 -1.4581 -1.4490 -1.4475 -1.4150 -1.1105 -1.1060 -1.1018 -1.0913 -1.0185 -1.0141 -1.0117 -1.0074 -0.7104 -0.6836 -0.6766 -0.6743 4.9708 4.9908 5.0030 5.0107 6.0695 6.0740 6.0885 6.1009 7.8505 7.8573 k = 0.0000 0.5000 0.1423 ( 7102 PWs) bands (ev): -8.0000 -7.9863 -7.9554 -7.8962 -7.7107 -7.6678 -7.6179 -7.5961 -7.3266 -7.2952 -7.2203 -7.1945 -6.9828 -6.9087 -6.8318 -6.7918 -6.6993 -6.6780 -6.6556 -6.6512 -6.5406 -6.5248 -6.4569 -6.4425 -5.6469 -5.5762 -5.5627 -5.5600 -3.5618 -3.5362 -3.5265 -3.5260 -2.3693 -2.3690 -2.3578 -2.3486 -1.4741 -1.4610 -1.4581 -1.4247 -1.1121 -1.1032 -1.1018 -1.0898 -1.0280 -1.0194 -1.0183 -1.0136 -0.6920 -0.6651 -0.6578 -0.6558 4.9639 4.9837 4.9987 5.0048 6.1084 6.1148 6.1280 6.1409 7.8080 7.8191 k = 0.0000 0.5000 0.1601 ( 7122 PWs) bands (ev): -7.9978 -7.9820 -7.9562 -7.8905 -7.7141 -7.6663 -7.6211 -7.5971 -7.3269 -7.2952 -7.2096 -7.1850 -6.9914 -6.9159 -6.8261 -6.7878 -6.6982 -6.6761 -6.6569 -6.6520 -6.5383 -6.5210 -6.4563 -6.4397 -5.6692 -5.5906 -5.5821 -5.5777 -3.5527 -3.5248 -3.5170 -3.5166 -2.3654 -2.3640 -2.3524 -2.3426 -1.4934 -1.4768 -1.4722 -1.4390 -1.1100 -1.0997 -1.0971 -1.0860 -1.0356 -1.0236 -1.0235 -1.0173 -0.6742 -0.6478 -0.6402 -0.6384 4.9569 4.9765 4.9938 4.9984 6.1511 6.1597 6.1717 6.1847 7.7645 7.7794 k = 0.0000 0.5000 0.1779 ( 7126 PWs) bands (ev): -7.9954 -7.9773 -7.9568 -7.8849 -7.7172 -7.6648 -7.6244 -7.5984 -7.3263 -7.2942 -7.1991 -7.1760 -6.9989 -6.9224 -6.8214 -6.7847 -6.6965 -6.6742 -6.6581 -6.6527 -6.5355 -6.5167 -6.4555 -6.4368 -5.6924 -5.6064 -5.6028 -5.5965 -3.5427 -3.5129 -3.5068 -3.5065 -2.3609 -2.3585 -2.3468 -2.3361 -1.5154 -1.4960 -1.4895 -1.4573 -1.1055 -1.0968 -1.0896 -1.0820 -1.0390 -1.0264 -1.0252 -1.0174 -0.6576 -0.6318 -0.6240 -0.6223 4.9500 4.9694 4.9885 4.9916 6.1975 6.2085 6.2194 6.2323 7.7206 7.7394 k = 0.0000 0.5000 0.1957 ( 7128 PWs) bands (ev): -7.9928 -7.9723 -7.9572 -7.8797 -7.7201 -7.6633 -7.6279 -7.6000 -7.3249 -7.2924 -7.1890 -7.1679 -7.0050 -6.9281 -6.8178 -6.7827 -6.6943 -6.6723 -6.6592 -6.6534 -6.5324 -6.5122 -6.4547 -6.4336 -5.7162 -5.6247 -5.6232 -5.6159 -3.5321 -3.5006 -3.4963 -3.4959 -2.3559 -2.3522 -2.3407 -2.3293 -1.5395 -1.5181 -1.5096 -1.4790 -1.1011 -1.0950 -1.0836 -1.0816 -1.0349 -1.0247 -1.0219 -1.0123 -0.6423 -0.6173 -0.6092 -0.6078 4.9434 4.9625 4.9828 4.9845 6.2471 6.2609 6.2707 6.2832 7.6770 7.6994 k = 0.0000 0.5000 0.2135 ( 7128 PWs) bands (ev): -7.9901 -7.9670 -7.9574 -7.8748 -7.7225 -7.6618 -7.6315 -7.6019 -7.3227 -7.2896 -7.1797 -7.1612 -7.0093 -6.9328 -6.8153 -6.7818 -6.6916 -6.6705 -6.6599 -6.6540 -6.5288 -6.5073 -6.4539 -6.4303 -5.7402 -5.6476 -5.6407 -5.6357 -3.5210 -3.4882 -3.4855 -3.4851 -2.3503 -2.3454 -2.3345 -2.3222 -1.5650 -1.5422 -1.5316 -1.5032 -1.0995 -1.0958 -1.0859 -1.0821 -1.0227 -1.0169 -1.0115 -1.0015 -0.6286 -0.6045 -0.5962 -0.5950 4.9370 4.9558 4.9770 4.9773 6.2995 6.3163 6.3251 6.3370 7.6341 7.6601 k = 0.0000 0.5000 0.2313 ( 7126 PWs) bands (ev): -7.9874 -7.9615 -7.9575 -7.8705 -7.7244 -7.6604 -7.6353 -7.6040 -7.3197 -7.2860 -7.1714 -7.1565 -7.0113 -6.9362 -6.8139 -6.7823 -6.6884 -6.6688 -6.6605 -6.6545 -6.5247 -6.5022 -6.4530 -6.4269 -5.7641 -5.6711 -5.6586 -5.6557 -3.5095 -3.4758 -3.4747 -3.4740 -2.3443 -2.3381 -2.3280 -2.3148 -1.5911 -1.5677 -1.5551 -1.5289 -1.1013 -1.0989 -1.0929 -1.0847 -1.0052 -1.0028 -0.9948 -0.9856 -0.6165 -0.5935 -0.5849 -0.5839 4.9310 4.9495 4.9699 4.9709 6.3544 6.3745 6.3822 6.3935 7.5924 7.6219 k = 0.0000 0.5000 0.2491 ( 7114 PWs) bands (ev): -7.9845 -7.9574 -7.9557 -7.8669 -7.7256 -7.6588 -7.6392 -7.6063 -7.3159 -7.2816 -7.1644 -7.1542 -7.0104 -6.9382 -6.8135 -6.7840 -6.6850 -6.6671 -6.6607 -6.6550 -6.5203 -6.4967 -6.4521 -6.4235 -5.7875 -5.6950 -5.6767 -5.6754 -3.4977 -3.4640 -3.4635 -3.4630 -2.3379 -2.3303 -2.3214 -2.3073 -1.6173 -1.5939 -1.5792 -1.5554 -1.1058 -1.1036 -1.1008 -1.0899 -0.9846 -0.9839 -0.9740 -0.9660 -0.6061 -0.5843 -0.5754 -0.5746 4.9253 4.9435 4.9625 4.9649 6.4113 6.4349 6.4416 6.4521 7.5523 7.5852 k = 0.0000 0.5000 0.2669 ( 7112 PWs) bands (ev): -7.9817 -7.9573 -7.9498 -7.8643 -7.7261 -7.6573 -7.6433 -7.6088 -7.3114 -7.2764 -7.1591 -7.1545 -7.0065 -6.9385 -6.8142 -6.7872 -6.6814 -6.6656 -6.6606 -6.6554 -6.5156 -6.4910 -6.4515 -6.4202 -5.8101 -5.7190 -5.6946 -5.6946 -3.4860 -3.4537 -3.4521 -3.4517 -2.3312 -2.3222 -2.3148 -2.2997 -1.6431 -1.6203 -1.6034 -1.5820 -1.1119 -1.1092 -1.1089 -1.0963 -0.9623 -0.9622 -0.9509 -0.9442 -0.5975 -0.5769 -0.5677 -0.5671 4.9201 4.9379 4.9552 4.9588 6.4697 6.4970 6.5025 6.5123 7.5141 7.5501 k = 0.0000 0.5000 0.2847 ( 7128 PWs) bands (ev): -7.9789 -7.9572 -7.9437 -7.8626 -7.7257 -7.6557 -7.6476 -7.6115 -7.3063 -7.2705 -7.1573 -7.1558 -7.0000 -6.9370 -6.8160 -6.7919 -6.6779 -6.6642 -6.6604 -6.6557 -6.5106 -6.4850 -6.4510 -6.4171 -5.8313 -5.7430 -5.7131 -5.7120 -3.4744 -3.4438 -3.4416 -3.4403 -2.3242 -2.3138 -2.3083 -2.2922 -1.6679 -1.6462 -1.6271 -1.6082 -1.1186 -1.1170 -1.1151 -1.1032 -0.9390 -0.9390 -0.9267 -0.9210 -0.5907 -0.5715 -0.5620 -0.5615 4.9154 4.9328 4.9480 4.9528 6.5292 6.5602 6.5644 6.5736 7.4779 7.5168 k = 0.0000 0.5000 0.3024 ( 7148 PWs) bands (ev): -7.9763 -7.9572 -7.9376 -7.8620 -7.7245 -7.6541 -7.6520 -7.6143 -7.3004 -7.2640 -7.1623 -7.1545 -6.9910 -6.9337 -6.8186 -6.7979 -6.6745 -6.6629 -6.6600 -6.6560 -6.5053 -6.4787 -6.4508 -6.4146 -5.8508 -5.7664 -5.7305 -5.7287 -3.4632 -3.4347 -3.4316 -3.4297 -2.3172 -2.3053 -2.3020 -2.2850 -1.6915 -1.6712 -1.6499 -1.6334 -1.1254 -1.1246 -1.1210 -1.1101 -0.9156 -0.9152 -0.9022 -0.8975 -0.5857 -0.5679 -0.5581 -0.5577 4.9112 4.9283 4.9411 4.9470 6.5890 6.6238 6.6266 6.6353 7.4440 7.4856 k = 0.0000 0.5000 0.3202 ( 7154 PWs) bands (ev): -7.9737 -7.9571 -7.9313 -7.8625 -7.7224 -7.6566 -7.6523 -7.6172 -7.2939 -7.2569 -7.1689 -7.1551 -6.9801 -6.9285 -6.8221 -6.8051 -6.6713 -6.6617 -6.6594 -6.6562 -6.4999 -6.4722 -6.4508 -6.4125 -5.8681 -5.7892 -5.7465 -5.7443 -3.4524 -3.4265 -3.4221 -3.4199 -2.3102 -2.2969 -2.2960 -2.2781 -1.7132 -1.6947 -1.6713 -1.6571 -1.1320 -1.1317 -1.1266 -1.1168 -0.8926 -0.8917 -0.8782 -0.8742 -0.5823 -0.5660 -0.5558 -0.5555 4.9077 4.9243 4.9344 4.9414 6.6483 6.6870 6.6880 6.6966 7.4126 7.4564 k = 0.0000 0.5000 0.3380 ( 7154 PWs) bands (ev): -7.9713 -7.9572 -7.9249 -7.8639 -7.7195 -7.6613 -7.6505 -7.6201 -7.2868 -7.2493 -7.1767 -7.1576 -6.9679 -6.9219 -6.8265 -6.8136 -6.6683 -6.6606 -6.6589 -6.6563 -6.4943 -6.4654 -6.4512 -6.4112 -5.8827 -5.8109 -5.7609 -5.7585 -3.4423 -3.4193 -3.4135 -3.4111 -2.3034 -2.2905 -2.2887 -2.2717 -1.7328 -1.7165 -1.6908 -1.6789 -1.1382 -1.1382 -1.1317 -1.1231 -0.8706 -0.8692 -0.8553 -0.8520 -0.5804 -0.5657 -0.5551 -0.5549 4.9047 4.9209 4.9281 4.9362 6.7064 6.7475 6.7486 6.7563 7.3838 7.4290 k = 0.0000 0.5000 0.3558 ( 7150 PWs) bands (ev): -7.9690 -7.9573 -7.9185 -7.8663 -7.7159 -7.6662 -7.6485 -7.6230 -7.2790 -7.2412 -7.1854 -7.1617 -6.9547 -6.9140 -6.8317 -6.8231 -6.6656 -6.6597 -6.6583 -6.6563 -6.4887 -6.4584 -6.4520 -6.4108 -5.8945 -5.8312 -5.7735 -5.7712 -3.4331 -3.4133 -3.4058 -3.4035 -2.2969 -2.2856 -2.2809 -2.2661 -1.7499 -1.7360 -1.7080 -1.6983 -1.1438 -1.1437 -1.1361 -1.1288 -0.8502 -0.8485 -0.8340 -0.8313 -0.5797 -0.5668 -0.5557 -0.5555 4.9025 4.9182 4.9223 4.9313 6.7621 6.8035 6.8075 6.8133 7.3581 7.4034 k = 0.0000 0.5000 0.3736 ( 7152 PWs) bands (ev): -7.9668 -7.9576 -7.9122 -7.8694 -7.7118 -7.6712 -7.6464 -7.6259 -7.2708 -7.2328 -7.1947 -7.1672 -6.9408 -6.9054 -6.8376 -6.8338 -6.6633 -6.6589 -6.6578 -6.6564 -6.4832 -6.4534 -6.4514 -6.4115 -5.9029 -5.8499 -5.7840 -5.7819 -3.4248 -3.4086 -3.3993 -3.3971 -2.2910 -2.2816 -2.2738 -2.2615 -1.7642 -1.7528 -1.7226 -1.7150 -1.1485 -1.1483 -1.1397 -1.1338 -0.8320 -0.8301 -0.8151 -0.8130 -0.5798 -0.5690 -0.5572 -0.5571 4.9009 4.9162 4.9171 4.9270 6.8140 6.8540 6.8618 6.8659 7.3359 7.3794 k = 0.0000 0.5000 0.3914 ( 7140 PWs) bands (ev): -7.9649 -7.9580 -7.9059 -7.8733 -7.7072 -7.6762 -7.6442 -7.6288 -7.2621 -7.2240 -7.2043 -7.1738 -6.9266 -6.8961 -6.8453 -6.8443 -6.6614 -6.6582 -6.6574 -6.6565 -6.4778 -6.4552 -6.4444 -6.4133 -5.9079 -5.8666 -5.7923 -5.7906 -3.4177 -3.4053 -3.3939 -3.3922 -2.2858 -2.2785 -2.2675 -2.2580 -1.7753 -1.7666 -1.7342 -1.7286 -1.1523 -1.1521 -1.1425 -1.1380 -0.8166 -0.8148 -0.7992 -0.7976 -0.5804 -0.5719 -0.5593 -0.5592 4.9002 4.9124 4.9150 4.9232 6.8604 6.8963 6.9092 6.9118 7.3184 7.3571 k = 0.0000 0.5000 0.4092 ( 7132 PWs) bands (ev): -7.9632 -7.9586 -7.8998 -7.8778 -7.7022 -7.6814 -7.6419 -7.6315 -7.2530 -7.2152 -7.2142 -7.1812 -6.9123 -6.8867 -6.8575 -6.8517 -6.6599 -6.6576 -6.6571 -6.6568 -6.4728 -6.4576 -6.4376 -6.4163 -5.9093 -5.8810 -5.7982 -5.7970 -3.4119 -3.4035 -3.3899 -3.3887 -2.2815 -2.2765 -2.2623 -2.2559 -1.7830 -1.7772 -1.7425 -1.7388 -1.1550 -1.1549 -1.1442 -1.1412 -0.8048 -0.8034 -0.7870 -0.7860 -0.5808 -0.5750 -0.5613 -0.5612 4.9002 4.9085 4.9145 4.9200 6.8993 6.9272 6.9470 6.9483 7.3069 7.3369 k = 0.0000 0.5000 0.4270 ( 7124 PWs) bands (ev): -7.9617 -7.9594 -7.8938 -7.8827 -7.6971 -7.6866 -7.6394 -7.6342 -7.2435 -7.2241 -7.2064 -7.1892 -6.8980 -6.8774 -6.8705 -6.8597 -6.6587 -6.6573 -6.6572 -6.6570 -6.4682 -6.4606 -6.4312 -6.4203 -5.9071 -5.8928 -5.8016 -5.8010 -3.4076 -3.4033 -3.3873 -3.3867 -2.2784 -2.2758 -2.2585 -2.2552 -1.7872 -1.7842 -1.7472 -1.7454 -1.1567 -1.1566 -1.1450 -1.1435 -0.7972 -0.7964 -0.7793 -0.7788 -0.5807 -0.5777 -0.5628 -0.5628 4.9011 4.9052 4.9147 4.9175 6.9280 6.9435 6.9717 6.9722 7.3032 7.3198 k = 0.0000 0.5000 0.4448 ( 7128 PWs) bands (ev): -7.9604 -7.9604 -7.8881 -7.8881 -7.6919 -7.6919 -7.6369 -7.6369 -7.2339 -7.2339 -7.1977 -7.1977 -6.8841 -6.8841 -6.8683 -6.8683 -6.6579 -6.6579 -6.6571 -6.6571 -6.4642 -6.4642 -6.4254 -6.4254 -5.9016 -5.9016 -5.8026 -5.8026 -3.4047 -3.4047 -3.3863 -3.3863 -2.2765 -2.2765 -2.2561 -2.2561 -1.7876 -1.7876 -1.7482 -1.7482 -1.1572 -1.1572 -1.1448 -1.1448 -0.7943 -0.7943 -0.7765 -0.7765 -0.5797 -0.5797 -0.5633 -0.5633 4.9028 4.9028 4.9157 4.9157 6.9436 6.9436 6.9804 6.9804 7.3079 7.3079 k = 0.5000 0.5000-0.0000 ( 7104 PWs) bands (ev): -7.8390 -7.8390 -7.8390 -7.8390 -7.7930 -7.7930 -7.7930 -7.7930 -7.1396 -7.1396 -7.1396 -7.1396 -6.9125 -6.9125 -6.9125 -6.9125 -6.6225 -6.6225 -6.6225 -6.6225 -6.3454 -6.3454 -6.3454 -6.3454 -5.8158 -5.8158 -5.8158 -5.8158 -3.7192 -3.7192 -3.7192 -3.7192 -2.6080 -2.6080 -2.6080 -2.6080 -1.5344 -1.5344 -1.5344 -1.5344 -1.4640 -1.4640 -1.4640 -1.4640 -0.4356 -0.4356 -0.4356 -0.4356 -0.3643 -0.3643 -0.3643 -0.3643 5.2535 5.2535 5.2535 5.2535 6.7277 6.7277 6.7277 6.7277 7.5236 7.5236 k = 0.5000 0.5000 0.0178 ( 7104 PWs) bands (ev): -7.8409 -7.8409 -7.8373 -7.8373 -7.7969 -7.7969 -7.7883 -7.7883 -7.1445 -7.1445 -7.1363 -7.1363 -6.9151 -6.9151 -6.9087 -6.9087 -6.6238 -6.6238 -6.6217 -6.6217 -6.3607 -6.3607 -6.3292 -6.3292 -5.8188 -5.8188 -5.8116 -5.8116 -3.7717 -3.7717 -3.6704 -3.6704 -2.6144 -2.6144 -2.6088 -2.6088 -1.5316 -1.5316 -1.5306 -1.5306 -1.4733 -1.4733 -1.4494 -1.4494 -0.4357 -0.4357 -0.4353 -0.4353 -0.3657 -0.3657 -0.3628 -0.3628 5.1715 5.1715 5.3327 5.3327 6.7185 6.7185 6.7319 6.7319 7.4987 7.4987 k = 0.5000 0.5000 0.0356 ( 7120 PWs) bands (ev): -7.8429 -7.8429 -7.8361 -7.8361 -7.7999 -7.7999 -7.7832 -7.7832 -7.1507 -7.1507 -7.1347 -7.1347 -6.9163 -6.9163 -6.9037 -6.9037 -6.6256 -6.6256 -6.6212 -6.6212 -6.3752 -6.3752 -6.3121 -6.3121 -5.8205 -5.8205 -5.8061 -5.8061 -3.8275 -3.8275 -3.6257 -3.6257 -2.6276 -2.6276 -2.6168 -2.6168 -1.5219 -1.5219 -1.5212 -1.5212 -1.4761 -1.4761 -1.4303 -1.4303 -0.4356 -0.4356 -0.4349 -0.4349 -0.3672 -0.3672 -0.3614 -0.3614 5.0871 5.0871 5.4087 5.4087 6.7044 6.7044 6.7311 6.7311 7.4742 7.4742 k = 0.5000 0.5000 0.0534 ( 7124 PWs) bands (ev): -7.8448 -7.8448 -7.8357 -7.8357 -7.8016 -7.8016 -7.7777 -7.7777 -7.1581 -7.1581 -7.1347 -7.1347 -6.9161 -6.9161 -6.8976 -6.8976 -6.6277 -6.6277 -6.6211 -6.6211 -6.3889 -6.3889 -6.2942 -6.2942 -5.8209 -5.8209 -5.7993 -5.7993 -3.8861 -3.8861 -3.5854 -3.5854 -2.6472 -2.6472 -2.6313 -2.6313 -1.5081 -1.5081 -1.5057 -1.5057 -1.4706 -1.4706 -1.4073 -1.4073 -0.4353 -0.4353 -0.4343 -0.4343 -0.3686 -0.3686 -0.3600 -0.3600 5.0008 5.0008 5.4811 5.4811 6.6857 6.6857 6.7252 6.7252 7.4500 7.4500 k = 0.5000 0.5000 0.0712 ( 7116 PWs) bands (ev): -7.8466 -7.8466 -7.8363 -7.8363 -7.8017 -7.8017 -7.7718 -7.7718 -7.1664 -7.1664 -7.1364 -7.1364 -6.9143 -6.9143 -6.8908 -6.8908 -6.6302 -6.6302 -6.6213 -6.6213 -6.4017 -6.4017 -6.2753 -6.2753 -5.8200 -5.8200 -5.7914 -5.7914 -3.9470 -3.9470 -3.5498 -3.5498 -2.6722 -2.6722 -2.6518 -2.6518 -1.4937 -1.4937 -1.4836 -1.4836 -1.4553 -1.4553 -1.3809 -1.3809 -0.4348 -0.4348 -0.4334 -0.4334 -0.3701 -0.3701 -0.3585 -0.3585 4.9129 4.9129 5.5497 5.5497 6.6628 6.6628 6.7143 6.7143 7.4260 7.4260 k = 0.5000 0.5000 0.0890 ( 7100 PWs) bands (ev): -7.8483 -7.8483 -7.8378 -7.8378 -7.8003 -7.8003 -7.7656 -7.7656 -7.1755 -7.1755 -7.1394 -7.1394 -6.9114 -6.9114 -6.8833 -6.8833 -6.6331 -6.6331 -6.6219 -6.6219 -6.4137 -6.4137 -6.2554 -6.2554 -5.8178 -5.8178 -5.7824 -5.7824 -4.0097 -4.0097 -3.5192 -3.5192 -2.7017 -2.7017 -2.6772 -2.6772 -1.4779 -1.4779 -1.4564 -1.4564 -1.4310 -1.4310 -1.3517 -1.3517 -0.4341 -0.4341 -0.4324 -0.4324 -0.3714 -0.3714 -0.3571 -0.3571 4.8240 4.8240 5.6139 5.6139 6.6359 6.6359 6.6987 6.6987 7.4021 7.4021 k = 0.5000 0.5000 0.1067 ( 7112 PWs) bands (ev): -7.8498 -7.8498 -7.8403 -7.8403 -7.7977 -7.7977 -7.7593 -7.7593 -7.1853 -7.1853 -7.1439 -7.1439 -6.9074 -6.9074 -6.8754 -6.8754 -6.6365 -6.6365 -6.6228 -6.6228 -6.4250 -6.4250 -6.2347 -6.2347 -5.8145 -5.8145 -5.7726 -5.7726 -4.0739 -4.0739 -3.4934 -3.4934 -2.7348 -2.7348 -2.7068 -2.7068 -1.4587 -1.4587 -1.4253 -1.4253 -1.4008 -1.4008 -1.3204 -1.3204 -0.4333 -0.4333 -0.4313 -0.4313 -0.3728 -0.3728 -0.3557 -0.3557 4.7345 4.7345 5.6737 5.6737 6.6057 6.6057 6.6788 6.6788 7.3782 7.3782 k = 0.5000 0.5000 0.1245 ( 7120 PWs) bands (ev): -7.8512 -7.8512 -7.8432 -7.8432 -7.7941 -7.7941 -7.7528 -7.7528 -7.1955 -7.1955 -7.1495 -7.1495 -6.9026 -6.9026 -6.8672 -6.8672 -6.6402 -6.6402 -6.6240 -6.6240 -6.4354 -6.4354 -6.2131 -6.2131 -5.8101 -5.8101 -5.7618 -5.7618 -4.1390 -4.1390 -3.4724 -3.4724 -2.7707 -2.7707 -2.7396 -2.7396 -1.4351 -1.4351 -1.3910 -1.3910 -1.3668 -1.3668 -1.2873 -1.2873 -0.4323 -0.4323 -0.4301 -0.4301 -0.3742 -0.3742 -0.3544 -0.3544 4.6448 4.6448 5.7287 5.7287 6.5726 6.5726 6.6548 6.6548 7.3547 7.3547 k = 0.5000 0.5000 0.1423 ( 7112 PWs) bands (ev): -7.8524 -7.8524 -7.8462 -7.8462 -7.7898 -7.7898 -7.7462 -7.7462 -7.2059 -7.2059 -7.1559 -7.1559 -6.8970 -6.8970 -6.8588 -6.8588 -6.6441 -6.6441 -6.6255 -6.6255 -6.4451 -6.4451 -6.1905 -6.1905 -5.8046 -5.8046 -5.7502 -5.7502 -4.2047 -4.2047 -3.4561 -3.4561 -2.8084 -2.8084 -2.7745 -2.7745 -1.4070 -1.4070 -1.3545 -1.3545 -1.3303 -1.3303 -1.2530 -1.2530 -0.4312 -0.4312 -0.4287 -0.4287 -0.3754 -0.3754 -0.3530 -0.3530 4.5555 4.5555 5.7787 5.7787 6.5371 6.5371 6.6275 6.6275 7.3317 7.3317 k = 0.5000 0.5000 0.1601 ( 7104 PWs) bands (ev): -7.8535 -7.8535 -7.8494 -7.8494 -7.7850 -7.7850 -7.7394 -7.7394 -7.2165 -7.2165 -7.1631 -7.1631 -6.8909 -6.8909 -6.8503 -6.8503 -6.6484 -6.6484 -6.6271 -6.6271 -6.4540 -6.4540 -6.1670 -6.1670 -5.7982 -5.7982 -5.7380 -5.7380 -4.2706 -4.2706 -3.4439 -3.4439 -2.8472 -2.8472 -2.8110 -2.8110 -1.3745 -1.3745 -1.3166 -1.3166 -1.2923 -1.2923 -1.2180 -1.2180 -0.4300 -0.4300 -0.4272 -0.4272 -0.3767 -0.3767 -0.3517 -0.3517 4.4669 4.4669 5.8237 5.8237 6.4999 6.4999 6.5973 6.5973 7.3095 7.3095 k = 0.5000 0.5000 0.1779 ( 7088 PWs) bands (ev): -7.8544 -7.8544 -7.8526 -7.8526 -7.7798 -7.7798 -7.7326 -7.7326 -7.2271 -7.2271 -7.1707 -7.1707 -6.8845 -6.8845 -6.8418 -6.8418 -6.6528 -6.6528 -6.6289 -6.6289 -6.4622 -6.4622 -6.1425 -6.1425 -5.7910 -5.7910 -5.7254 -5.7254 -4.3363 -4.3363 -3.4356 -3.4356 -2.8865 -2.8865 -2.8483 -2.8483 -1.3383 -1.3383 -1.2779 -1.2779 -1.2536 -1.2536 -1.1827 -1.1827 -0.4286 -0.4286 -0.4257 -0.4257 -0.3778 -0.3778 -0.3504 -0.3504 4.3796 4.3796 5.8636 5.8636 6.4616 6.4616 6.5650 6.5650 7.2885 7.2885 k = 0.5000 0.5000 0.1957 ( 7080 PWs) bands (ev): -7.8557 -7.8557 -7.8552 -7.8552 -7.7744 -7.7744 -7.7257 -7.7257 -7.2377 -7.2377 -7.1787 -7.1787 -6.8779 -6.8779 -6.8334 -6.8334 -6.6575 -6.6575 -6.6310 -6.6310 -6.4698 -6.4698 -6.1173 -6.1173 -5.7832 -5.7832 -5.7123 -5.7123 -4.4016 -4.4016 -3.4307 -3.4307 -2.9257 -2.9257 -2.8857 -2.8857 -1.2989 -1.2989 -1.2392 -1.2392 -1.2150 -1.2150 -1.1475 -1.1475 -0.4272 -0.4272 -0.4241 -0.4241 -0.3790 -0.3790 -0.3492 -0.3492 4.2941 4.2941 5.8983 5.8983 6.4229 6.4229 6.5312 6.5312 7.2690 7.2690 k = 0.5000 0.5000 0.2135 ( 7072 PWs) bands (ev): -7.8587 -7.8587 -7.8559 -7.8559 -7.7687 -7.7687 -7.7189 -7.7189 -7.2481 -7.2481 -7.1868 -7.1868 -6.8714 -6.8714 -6.8251 -6.8251 -6.6623 -6.6623 -6.6333 -6.6333 -6.4766 -6.4766 -6.0913 -6.0913 -5.7748 -5.7748 -5.6991 -5.6991 -4.4659 -4.4659 -3.4286 -3.4286 -2.9643 -2.9643 -2.9227 -2.9227 -1.2572 -1.2572 -1.2010 -1.2010 -1.1768 -1.1768 -1.1129 -1.1129 -0.4258 -0.4258 -0.4225 -0.4225 -0.3801 -0.3801 -0.3481 -0.3481 4.2109 4.2109 5.9281 5.9281 6.3843 6.3843 6.4966 6.4966 7.2514 7.2514 k = 0.5000 0.5000 0.2313 ( 7092 PWs) bands (ev): -7.8616 -7.8616 -7.8565 -7.8565 -7.7630 -7.7630 -7.7123 -7.7123 -7.2584 -7.2584 -7.1951 -7.1951 -6.8649 -6.8649 -6.8171 -6.8171 -6.6673 -6.6673 -6.6357 -6.6357 -6.4828 -6.4828 -6.0647 -6.0647 -5.7662 -5.7662 -5.6859 -5.6859 -4.5291 -4.5291 -3.4289 -3.4289 -3.0019 -3.0019 -2.9589 -2.9589 -1.2139 -1.2139 -1.1638 -1.1638 -1.1397 -1.1397 -1.0792 -1.0792 -0.4244 -0.4244 -0.4209 -0.4209 -0.3811 -0.3811 -0.3470 -0.3470 4.1305 4.1305 5.9529 5.9529 6.3464 6.3464 6.4619 6.4619 7.2358 7.2358 k = 0.5000 0.5000 0.2491 ( 7096 PWs) bands (ev): -7.8643 -7.8643 -7.8570 -7.8570 -7.7573 -7.7573 -7.7057 -7.7057 -7.2683 -7.2683 -7.2033 -7.2033 -6.8586 -6.8586 -6.8094 -6.8094 -6.6722 -6.6722 -6.6382 -6.6382 -6.4884 -6.4884 -6.0375 -6.0375 -5.7574 -5.7574 -5.6728 -5.6728 -4.5907 -4.5907 -3.4311 -3.4311 -3.0379 -3.0379 -2.9937 -2.9937 -1.1700 -1.1700 -1.1280 -1.1280 -1.1040 -1.1040 -1.0467 -1.0467 -0.4230 -0.4230 -0.4194 -0.4194 -0.3821 -0.3821 -0.3460 -0.3460 4.0534 4.0534 5.9731 5.9731 6.3099 6.3099 6.4277 6.4277 7.2224 7.2224 k = 0.5000 0.5000 0.2669 ( 7084 PWs) bands (ev): -7.8667 -7.8667 -7.8574 -7.8574 -7.7516 -7.7516 -7.6993 -7.6993 -7.2777 -7.2777 -7.2112 -7.2112 -6.8524 -6.8524 -6.8020 -6.8020 -6.6771 -6.6771 -6.6407 -6.6407 -6.4934 -6.4934 -6.0100 -6.0100 -5.7485 -5.7485 -5.6600 -5.6600 -4.6503 -4.6503 -3.4346 -3.4346 -3.0721 -3.0721 -3.0269 -3.0269 -1.1262 -1.1262 -1.0940 -1.0940 -1.0701 -1.0701 -1.0159 -1.0159 -0.4216 -0.4216 -0.4178 -0.4178 -0.3830 -0.3830 -0.3450 -0.3450 3.9804 3.9804 5.9890 5.9890 6.2753 6.2753 6.3946 6.3946 7.2113 7.2113 k = 0.5000 0.5000 0.2847 ( 7088 PWs) bands (ev): -7.8690 -7.8690 -7.8578 -7.8578 -7.7460 -7.7460 -7.6932 -7.6932 -7.2867 -7.2867 -7.2189 -7.2189 -6.8466 -6.8466 -6.7950 -6.7950 -6.6818 -6.6818 -6.6433 -6.6433 -6.4979 -6.4979 -5.9824 -5.9824 -5.7397 -5.7397 -5.6475 -5.6475 -4.7076 -4.7076 -3.4391 -3.4391 -3.1042 -3.1042 -3.0580 -3.0580 -1.0835 -1.0835 -1.0622 -1.0622 -1.0383 -1.0383 -0.9869 -0.9869 -0.4202 -0.4202 -0.4164 -0.4164 -0.3838 -0.3838 -0.3441 -0.3441 3.9119 3.9119 6.0009 6.0009 6.2430 6.2430 6.3630 6.3630 7.2023 7.2023 k = 0.5000 0.5000 0.3024 ( 7104 PWs) bands (ev): -7.8711 -7.8711 -7.8582 -7.8582 -7.7407 -7.7407 -7.6875 -7.6875 -7.2951 -7.2951 -7.2261 -7.2261 -6.8412 -6.8412 -6.7885 -6.7885 -6.6864 -6.6864 -6.6459 -6.6459 -6.5018 -6.5018 -5.9551 -5.9551 -5.7314 -5.7314 -5.6358 -5.6358 -4.7620 -4.7620 -3.4442 -3.4442 -3.1337 -3.1337 -3.0868 -3.0868 -1.0428 -1.0428 -1.0329 -1.0329 -1.0088 -1.0088 -0.9603 -0.9603 -0.4189 -0.4189 -0.4151 -0.4151 -0.3846 -0.3846 -0.3433 -0.3433 3.8485 3.8485 6.0091 6.0091 6.2137 6.2137 6.3336 6.3336 7.1954 7.1954 k = 0.5000 0.5000 0.3202 ( 7108 PWs) bands (ev): -7.8730 -7.8730 -7.8584 -7.8584 -7.7358 -7.7358 -7.6821 -7.6821 -7.3028 -7.3028 -7.2328 -7.2328 -6.8362 -6.8362 -6.7824 -6.7824 -6.6907 -6.6907 -6.6485 -6.6485 -6.5052 -6.5052 -5.9284 -5.9284 -5.7235 -5.7235 -5.6248 -5.6248 -4.8130 -4.8130 -3.4494 -3.4494 -3.1605 -3.1605 -3.1129 -3.1129 -1.0064 -1.0064 -1.0052 -1.0052 -0.9815 -0.9815 -0.9360 -0.9360 -0.4178 -0.4178 -0.4138 -0.4138 -0.3853 -0.3853 -0.3426 -0.3426 3.7908 3.7908 6.0141 6.0141 6.1878 6.1878 6.3066 6.3066 7.1903 7.1903 k = 0.5000 0.5000 0.3380 ( 7108 PWs) bands (ev): -7.8745 -7.8745 -7.8586 -7.8586 -7.7312 -7.7312 -7.6772 -7.6772 -7.3098 -7.3098 -7.2388 -7.2388 -6.8317 -6.8317 -6.7769 -6.7769 -6.6947 -6.6947 -6.6509 -6.6509 -6.5080 -6.5080 -5.9030 -5.9030 -5.7163 -5.7163 -5.6146 -5.6146 -4.8600 -4.8600 -3.4546 -3.4546 -3.1843 -3.1843 -3.1360 -3.1360 -0.9829 -0.9829 -0.9723 -0.9723 -0.9558 -0.9558 -0.9146 -0.9146 -0.4167 -0.4167 -0.4128 -0.4128 -0.3858 -0.3858 -0.3419 -0.3419 3.7394 3.7394 6.0163 6.0163 6.1656 6.1656 6.2825 6.2825 7.1867 7.1867 k = 0.5000 0.5000 0.3558 ( 7108 PWs) bands (ev): -7.8759 -7.8759 -7.8587 -7.8587 -7.7272 -7.7272 -7.6729 -7.6729 -7.3158 -7.3158 -7.2441 -7.2441 -6.8277 -6.8277 -6.7721 -6.7721 -6.6982 -6.6982 -6.6532 -6.6532 -6.5105 -6.5105 -5.8793 -5.8793 -5.7099 -5.7099 -5.6056 -5.6056 -4.9022 -4.9022 -3.4593 -3.4593 -3.2048 -3.2048 -3.1560 -3.1560 -0.9627 -0.9627 -0.9465 -0.9465 -0.9304 -0.9304 -0.8960 -0.8960 -0.4158 -0.4158 -0.4118 -0.4118 -0.3863 -0.3863 -0.3413 -0.3413 3.6948 3.6948 6.0162 6.0162 6.1474 6.1474 6.2616 6.2616 7.1844 7.1844 k = 0.5000 0.5000 0.3736 ( 7108 PWs) bands (ev): -7.8770 -7.8770 -7.8588 -7.8588 -7.7238 -7.7238 -7.6692 -7.6692 -7.3209 -7.3209 -7.2485 -7.2485 -6.8244 -6.8244 -6.7679 -6.7679 -6.7012 -6.7012 -6.6552 -6.6552 -6.5124 -6.5124 -5.8583 -5.8583 -5.7044 -5.7044 -5.5978 -5.5978 -4.9388 -4.9388 -3.4635 -3.4635 -3.2218 -3.2218 -3.1727 -3.1727 -0.9459 -0.9459 -0.9275 -0.9275 -0.9063 -0.9063 -0.8806 -0.8806 -0.4150 -0.4150 -0.4110 -0.4110 -0.3867 -0.3867 -0.3408 -0.3408 3.6576 3.6576 6.0145 6.0145 6.1332 6.1332 6.2441 6.2441 7.1829 7.1829 k = 0.5000 0.5000 0.3914 ( 7116 PWs) bands (ev): -7.8779 -7.8779 -7.8589 -7.8589 -7.7210 -7.7210 -7.6663 -7.6663 -7.3249 -7.3249 -7.2521 -7.2521 -6.8217 -6.8217 -6.7646 -6.7646 -6.7036 -6.7036 -6.6569 -6.6569 -6.5139 -6.5139 -5.8407 -5.8407 -5.7001 -5.7001 -5.5914 -5.5914 -4.9687 -4.9687 -3.4670 -3.4670 -3.2353 -3.2353 -3.1858 -3.1858 -0.9326 -0.9326 -0.9135 -0.9135 -0.8861 -0.8861 -0.8684 -0.8684 -0.4143 -0.4143 -0.4104 -0.4104 -0.3871 -0.3871 -0.3405 -0.3405 3.6281 3.6281 6.0119 6.0119 6.1228 6.1228 6.2303 6.2303 7.1822 7.1822 k = 0.5000 0.5000 0.4092 ( 7108 PWs) bands (ev): -7.8785 -7.8785 -7.8590 -7.8590 -7.7190 -7.7190 -7.6641 -7.6641 -7.3279 -7.3279 -7.2547 -7.2547 -6.8197 -6.8197 -6.7621 -6.7621 -6.7054 -6.7054 -6.6581 -6.6581 -6.5149 -6.5149 -5.8273 -5.8273 -5.6969 -5.6969 -5.5867 -5.5867 -4.9910 -4.9910 -3.4695 -3.4695 -3.2449 -3.2449 -3.1953 -3.1953 -0.9231 -0.9231 -0.9036 -0.9036 -0.8711 -0.8711 -0.8596 -0.8596 -0.4139 -0.4139 -0.4099 -0.4099 -0.3873 -0.3873 -0.3402 -0.3402 3.6068 3.6068 6.0093 6.0093 6.1158 6.1158 6.2203 6.2203 7.1818 7.1818 k = 0.5000 0.5000 0.4270 ( 7116 PWs) bands (ev): -7.8790 -7.8790 -7.8590 -7.8590 -7.7178 -7.7178 -7.6628 -7.6628 -7.3297 -7.3297 -7.2563 -7.2563 -6.8185 -6.8185 -6.7606 -6.7606 -6.7065 -6.7065 -6.6590 -6.6590 -6.5156 -6.5156 -5.8189 -5.8189 -5.6949 -5.6949 -5.5837 -5.5837 -5.0049 -5.0049 -3.4711 -3.4711 -3.2508 -3.2508 -3.2010 -3.2010 -0.9173 -0.9173 -0.8977 -0.8977 -0.8618 -0.8618 -0.8543 -0.8543 -0.4136 -0.4136 -0.4097 -0.4097 -0.3874 -0.3874 -0.3400 -0.3400 3.5939 3.5939 6.0074 6.0074 6.1117 6.1117 6.2143 6.2143 7.1817 7.1817 k = 0.5000 0.5000 0.4448 ( 7112 PWs) bands (ev): -7.8791 -7.8791 -7.8590 -7.8590 -7.7174 -7.7174 -7.6624 -7.6624 -7.3303 -7.3303 -7.2568 -7.2568 -6.8181 -6.8181 -6.7602 -6.7602 -6.7069 -6.7069 -6.6592 -6.6592 -6.5158 -6.5158 -5.8161 -5.8161 -5.6943 -5.6943 -5.5827 -5.5827 -5.0095 -5.0095 -3.4716 -3.4716 -3.2527 -3.2527 -3.2029 -3.2029 -0.9154 -0.9154 -0.8957 -0.8957 -0.8587 -0.8587 -0.8525 -0.8525 -0.4135 -0.4135 -0.4096 -0.4096 -0.3875 -0.3875 -0.3400 -0.3400 3.5896 3.5896 6.0068 6.0068 6.1104 6.1104 6.2123 6.2123 7.1816 7.1816 Writing output data file CdxBH4x2.save init_run : 2.01s CPU 1.34s WALL ( 1 calls) electrons : 433.62s CPU 331.86s WALL ( 1 calls) Called by init_run: wfcinit : 0.02s CPU 0.02s WALL ( 1 calls) potinit : 0.24s CPU 0.14s WALL ( 1 calls) Called by electrons: c_bands : 433.60s CPU 331.85s WALL ( 1 calls) v_of_rho : 0.04s CPU 0.02s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.04s CPU 0.02s WALL ( 1 calls) newd : 0.43s CPU 0.29s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.32s CPU 0.32s WALL ( 276 calls) cegterg : 375.19s CPU 298.07s WALL ( 665 calls) Called by sum_band: Called by *egterg: h_psi : 245.73s CPU 162.14s WALL ( 11217 calls) s_psi : 11.84s CPU 8.56s WALL ( 11217 calls) g_psi : 0.54s CPU 0.47s WALL ( 10276 calls) cdiaghg : 118.38s CPU 110.96s WALL ( 10552 calls) cegterg:over : 17.07s CPU 15.06s WALL ( 10276 calls) cegterg:upda : 17.15s CPU 15.80s WALL ( 10276 calls) cegterg:last : 4.96s CPU 4.83s WALL ( 1217 calls) cdiaghg:chol : 6.68s CPU 6.41s WALL ( 10552 calls) cdiaghg:inve : 4.45s CPU 4.39s WALL ( 10552 calls) cdiaghg:para : 7.14s CPU 6.92s WALL ( 21104 calls) Called by h_psi: h_psi:vloc : 215.90s CPU 139.47s WALL ( 11217 calls) h_psi:vnl : 29.11s CPU 22.08s WALL ( 11217 calls) add_vuspsi : 14.41s CPU 10.64s WALL ( 11217 calls) General routines calbec : 14.64s CPU 11.40s WALL ( 11217 calls) fft : 0.05s CPU 0.03s WALL ( 19 calls) ffts : 0.03s CPU 0.01s WALL ( 4 calls) fftw : 193.86s CPU 121.72s WALL ( 984108 calls) interpolate : 0.04s CPU 0.02s WALL ( 4 calls) davcio : 0.28s CPU 1.29s WALL ( 552 calls) Parallel routines fft_scatter : 69.03s CPU 51.91s WALL ( 984131 calls) PWSCF : 7m37.92s CPU 6m11.39s WALL This run was terminated on: 19: 0:49 3Aug2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=