Program PWSCF v.5.3.0 (svn rev. 11974) starts on 30Jan2017 at 20: 7:20 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 72 processors R & G space division: proc/nbgrp/npool/nimage = 72 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: ./CsTeAu.save/ file Au.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5D renormalized file Te.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 5P renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 6* 6 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 55 41 11 3279 2137 311 Max 56 42 12 3286 2160 318 Sum 3989 3015 833 236197 154715 22605 bravais-lattice index = 14 lattice parameter (alat) = 10.0666 a.u. unit-cell volume = 1601.3306 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 3 number of electrons = 52.00 number of Kohn-Sham states= 62 kinetic-energy cutoff = 80.0000 Ry charge density cutoff = 424.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 10.066570 celldm(2)= 1.165947 celldm(3)= 1.346349 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 1.165947 0.000000 ) a(3) = ( 0.000000 0.000000 1.346349 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 0.857672 -0.000000 ) b(3) = ( 0.000000 0.000000 0.742750 ) PseudoPot. # 1 for Au read from file: /users/gautes/Pseudo/Au.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: d39daeb1f194fdf5670f47ad6d8ea3dd Pseudo is Ultrasoft + core correction, Zval = 11.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1279 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 Te read from file: /users/gautes/Pseudo/Te.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: d7fe42880ce6991a805b4693d1f2335c Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1245 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Cs read from file: /users/gautes/Pseudo/Cs.rel-pbe-oncvpsp.UPF MD5 check sum: b26d75608c6aa7e713949ad9f7a49707 Pseudo is Norm-conserving, Zval = 9.0 Generated using ONCVPSP code by D. R. Hamann Using radial grid of 2414 points, 14 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 l(11) = 3 l(12) = 3 l(13) = 3 l(14) = 3 atomic species valence mass pseudopotential Au 11.00 196.96660 Au( 1.00) Te 6.00 127.60000 Te( 1.00) Cs 9.00 132.90550 Cs( 1.00) 8 Sym. Ops., with 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 ) f =( 0.0000000 ) ( 0 -1 0 ) ( 0.5000000 ) ( 0 0 1 ) ( 0.0000000 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) f =( 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.5829735 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 3 180 deg rotation - cart. axis [0,1,0] cryst. s( 3) = ( -1 0 0 ) f =( 0.0000000 ) ( 0 1 0 ) ( -0.5000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s( 3) = ( -1.0000000 0.0000000 -0.0000000 ) f =( -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( -0.5829735 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) isym = 4 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( 1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 4) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 5 inversion cryst. s( 5) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 5) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 6 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 6) = ( 1 0 0 ) f =( 0.0000000 ) ( 0 1 0 ) ( -0.5000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s( 6) = ( 1.0000000 0.0000000 -0.0000000 ) f =( -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( -0.5829735 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) isym = 7 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s( 7) = ( 1 0 0 ) f =( 0.0000000 ) ( 0 -1 0 ) ( 0.5000000 ) ( 0 0 1 ) ( 0.0000000 ) cart. s( 7) = ( 1.0000000 -0.0000000 0.0000000 ) f =( 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.5829735 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 8 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 8) = ( -1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 8) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group D_2h (mmm) there are 10 classes and 2 irreducible representations the character table: E -E C2 C2' C2'' i -i s_v s_v' s_v'' -C2 -C2' -C2'' -s_v -s_v' -s_v' G_5+ 2.00 -2.00 0.00 0.00 0.00 2.00 -2.00 0.00 0.00 0.00 G_5- 2.00 -2.00 0.00 0.00 0.00 -2.00 2.00 0.00 0.00 0.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E C2 -C2 2 -2 180 deg rotation - cart. axis [0,0,1] C2' -C2' 3 -3 180 deg rotation - cart. axis [0,1,0] C2'' -C2'' 4 -4 180 deg rotation - cart. axis [1,0,0] i 5 inversion -i -5 inversion E s_v -s_v 6 -6 inv. 180 deg rotation - cart. axis [0,0,1] s_v'-s_v' 7 -7 inv. 180 deg rotation - cart. axis [0,1,0] s_v''-s_v' 8 -8 inv. 180 deg rotation - cart. axis [1,0,0] Cartesian axes number of k points= 324 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030864 k( 2) = ( 0.0166667 -0.0000000 -0.0000000), wk = 0.0030864 k( 3) = ( 0.0333333 -0.0000000 -0.0000000), wk = 0.0030864 k( 4) = ( 0.0500000 -0.0000000 -0.0000000), wk = 0.0030864 k( 5) = ( 0.0666667 -0.0000000 -0.0000000), wk = 0.0030864 k( 6) = ( 0.0833333 -0.0000000 -0.0000000), wk = 0.0030864 k( 7) = ( 0.1000000 -0.0000000 -0.0000000), wk = 0.0030864 k( 8) = ( 0.1166667 -0.0000000 -0.0000000), wk = 0.0030864 k( 9) = ( 0.1333333 -0.0000000 -0.0000000), wk = 0.0030864 k( 10) = ( 0.1500000 -0.0000000 -0.0000000), wk = 0.0030864 k( 11) = ( 0.1666667 -0.0000000 -0.0000000), wk = 0.0030864 k( 12) = ( 0.1833333 -0.0000000 -0.0000000), wk = 0.0030864 k( 13) = ( 0.2000000 -0.0000000 -0.0000000), wk = 0.0030864 k( 14) = ( 0.2166667 -0.0000000 -0.0000000), wk = 0.0030864 k( 15) = ( 0.2333333 -0.0000000 -0.0000000), wk = 0.0030864 k( 16) = ( 0.2500000 -0.0000000 -0.0000000), wk = 0.0030864 k( 17) = ( 0.2666667 -0.0000000 -0.0000000), wk = 0.0030864 k( 18) = ( 0.2833333 -0.0000000 -0.0000000), wk = 0.0030864 k( 19) = ( 0.3000000 -0.0000000 -0.0000000), wk = 0.0030864 k( 20) = ( 0.3166667 -0.0000000 -0.0000000), wk = 0.0030864 k( 21) = ( 0.3333333 -0.0000000 -0.0000000), wk = 0.0030864 k( 22) = ( 0.3500000 -0.0000000 -0.0000000), wk = 0.0030864 k( 23) = ( 0.3666667 -0.0000000 -0.0000000), wk = 0.0030864 k( 24) = ( 0.3833333 -0.0000000 -0.0000000), wk = 0.0030864 k( 25) = ( 0.4000000 -0.0000000 -0.0000000), wk = 0.0030864 k( 26) = ( 0.4166667 -0.0000000 -0.0000000), wk = 0.0030864 k( 27) = ( 0.4333333 -0.0000000 -0.0000000), wk = 0.0030864 k( 28) = ( 0.4500000 -0.0000000 -0.0000000), wk = 0.0030864 k( 29) = ( 0.4666667 -0.0000000 -0.0000000), wk = 0.0030864 k( 30) = ( 0.4833333 -0.0000000 -0.0000000), wk = 0.0030864 k( 31) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0030864 k( 32) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0030864 k( 33) = ( 0.5000000 0.0164937 -0.0000000), wk = 0.0030864 k( 34) = ( 0.5000000 0.0329874 -0.0000000), wk = 0.0030864 k( 35) = ( 0.5000000 0.0494811 -0.0000000), wk = 0.0030864 k( 36) = ( 0.5000000 0.0659748 -0.0000000), wk = 0.0030864 k( 37) = ( 0.5000000 0.0824685 -0.0000000), wk = 0.0030864 k( 38) = ( 0.5000000 0.0989621 -0.0000000), wk = 0.0030864 k( 39) = ( 0.5000000 0.1154558 -0.0000000), wk = 0.0030864 k( 40) = ( 0.5000000 0.1319495 -0.0000000), wk = 0.0030864 k( 41) = ( 0.5000000 0.1484432 -0.0000000), wk = 0.0030864 k( 42) = ( 0.5000000 0.1649369 -0.0000000), wk = 0.0030864 k( 43) = ( 0.5000000 0.1814306 -0.0000000), wk = 0.0030864 k( 44) = ( 0.5000000 0.1979243 -0.0000000), wk = 0.0030864 k( 45) = ( 0.5000000 0.2144180 -0.0000000), wk = 0.0030864 k( 46) = ( 0.5000000 0.2309117 -0.0000000), wk = 0.0030864 k( 47) = ( 0.5000000 0.2474053 -0.0000000), wk = 0.0030864 k( 48) = ( 0.5000000 0.2638990 -0.0000000), wk = 0.0030864 k( 49) = ( 0.5000000 0.2803927 -0.0000000), wk = 0.0030864 k( 50) = ( 0.5000000 0.2968864 -0.0000000), wk = 0.0030864 k( 51) = ( 0.5000000 0.3133801 -0.0000000), wk = 0.0030864 k( 52) = ( 0.5000000 0.3298738 -0.0000000), wk = 0.0030864 k( 53) = ( 0.5000000 0.3463675 -0.0000000), wk = 0.0030864 k( 54) = ( 0.5000000 0.3628612 -0.0000000), wk = 0.0030864 k( 55) = ( 0.5000000 0.3793549 -0.0000000), wk = 0.0030864 k( 56) = ( 0.5000000 0.3958486 -0.0000000), wk = 0.0030864 k( 57) = ( 0.5000000 0.4123422 -0.0000000), wk = 0.0030864 k( 58) = ( 0.5000000 0.4288359 -0.0000000), wk = 0.0030864 k( 59) = ( 0.5000000 0.4288359 -0.0000000), wk = 0.0030864 k( 60) = ( 0.4833333 0.4288359 -0.0000000), wk = 0.0030864 k( 61) = ( 0.4666667 0.4288359 -0.0000000), wk = 0.0030864 k( 62) = ( 0.4500000 0.4288359 -0.0000000), wk = 0.0030864 k( 63) = ( 0.4333333 0.4288359 -0.0000000), wk = 0.0030864 k( 64) = ( 0.4166667 0.4288359 -0.0000000), wk = 0.0030864 k( 65) = ( 0.4000000 0.4288359 -0.0000000), wk = 0.0030864 k( 66) = ( 0.3833333 0.4288359 -0.0000000), wk = 0.0030864 k( 67) = ( 0.3666667 0.4288359 -0.0000000), wk = 0.0030864 k( 68) = ( 0.3500000 0.4288359 -0.0000000), wk = 0.0030864 k( 69) = ( 0.3333333 0.4288359 -0.0000000), wk = 0.0030864 k( 70) = ( 0.3166667 0.4288359 -0.0000000), wk = 0.0030864 k( 71) = ( 0.3000000 0.4288359 -0.0000000), wk = 0.0030864 k( 72) = ( 0.2833333 0.4288359 -0.0000000), wk = 0.0030864 k( 73) = ( 0.2666667 0.4288359 -0.0000000), wk = 0.0030864 k( 74) = ( 0.2500000 0.4288359 -0.0000000), wk = 0.0030864 k( 75) = ( 0.2333333 0.4288359 -0.0000000), wk = 0.0030864 k( 76) = ( 0.2166667 0.4288359 -0.0000000), wk = 0.0030864 k( 77) = ( 0.2000000 0.4288359 -0.0000000), wk = 0.0030864 k( 78) = ( 0.1833333 0.4288359 -0.0000000), wk = 0.0030864 k( 79) = ( 0.1666667 0.4288359 -0.0000000), wk = 0.0030864 k( 80) = ( 0.1500000 0.4288359 -0.0000000), wk = 0.0030864 k( 81) = ( 0.1333333 0.4288359 -0.0000000), wk = 0.0030864 k( 82) = ( 0.1166667 0.4288359 -0.0000000), wk = 0.0030864 k( 83) = ( 0.1000000 0.4288359 -0.0000000), wk = 0.0030864 k( 84) = ( 0.0833333 0.4288359 -0.0000000), wk = 0.0030864 k( 85) = ( 0.0666667 0.4288359 -0.0000000), wk = 0.0030864 k( 86) = ( 0.0500000 0.4288359 -0.0000000), wk = 0.0030864 k( 87) = ( 0.0333333 0.4288359 -0.0000000), wk = 0.0030864 k( 88) = ( 0.0166667 0.4288359 -0.0000000), wk = 0.0030864 k( 89) = ( 0.0000000 0.4288359 -0.0000000), wk = 0.0030864 k( 90) = ( 0.0000000 0.4288359 -0.0000000), wk = 0.0030864 k( 91) = ( 0.0000000 0.4123422 -0.0000000), wk = 0.0030864 k( 92) = ( 0.0000000 0.3958486 -0.0000000), wk = 0.0030864 k( 93) = ( 0.0000000 0.3793549 -0.0000000), wk = 0.0030864 k( 94) = ( 0.0000000 0.3628612 -0.0000000), wk = 0.0030864 k( 95) = ( 0.0000000 0.3463675 -0.0000000), wk = 0.0030864 k( 96) = ( 0.0000000 0.3298738 -0.0000000), wk = 0.0030864 k( 97) = ( 0.0000000 0.3133801 -0.0000000), wk = 0.0030864 k( 98) = ( 0.0000000 0.2968864 -0.0000000), wk = 0.0030864 k( 99) = ( 0.0000000 0.2803927 -0.0000000), wk = 0.0030864 k( 100) = ( 0.0000000 0.2638990 -0.0000000), wk = 0.0030864 k( 101) = ( 0.0000000 0.2474053 -0.0000000), wk = 0.0030864 k( 102) = ( 0.0000000 0.2309117 -0.0000000), wk = 0.0030864 k( 103) = ( 0.0000000 0.2144180 -0.0000000), wk = 0.0030864 k( 104) = ( 0.0000000 0.1979243 -0.0000000), wk = 0.0030864 k( 105) = ( 0.0000000 0.1814306 -0.0000000), wk = 0.0030864 k( 106) = ( 0.0000000 0.1649369 -0.0000000), wk = 0.0030864 k( 107) = ( 0.0000000 0.1484432 -0.0000000), wk = 0.0030864 k( 108) = ( 0.0000000 0.1319495 -0.0000000), wk = 0.0030864 k( 109) = ( 0.0000000 0.1154558 -0.0000000), wk = 0.0030864 k( 110) = ( 0.0000000 0.0989621 -0.0000000), wk = 0.0030864 k( 111) = ( 0.0000000 0.0824685 -0.0000000), wk = 0.0030864 k( 112) = ( 0.0000000 0.0659748 -0.0000000), wk = 0.0030864 k( 113) = ( 0.0000000 0.0494811 -0.0000000), wk = 0.0030864 k( 114) = ( 0.0000000 0.0329874 -0.0000000), wk = 0.0030864 k( 115) = ( 0.0000000 0.0164937 -0.0000000), wk = 0.0030864 k( 116) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030864 k( 117) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030864 k( 118) = ( 0.0000000 0.0000000 0.0168807), wk = 0.0030864 k( 119) = ( 0.0000000 0.0000000 0.0337613), wk = 0.0030864 k( 120) = ( 0.0000000 0.0000000 0.0506420), wk = 0.0030864 k( 121) = ( 0.0000000 0.0000000 0.0675227), wk = 0.0030864 k( 122) = ( 0.0000000 0.0000000 0.0844034), wk = 0.0030864 k( 123) = ( 0.0000000 0.0000000 0.1012840), wk = 0.0030864 k( 124) = ( 0.0000000 0.0000000 0.1181647), wk = 0.0030864 k( 125) = ( 0.0000000 0.0000000 0.1350454), wk = 0.0030864 k( 126) = ( 0.0000000 0.0000000 0.1519260), wk = 0.0030864 k( 127) = ( 0.0000000 0.0000000 0.1688067), wk = 0.0030864 k( 128) = ( 0.0000000 0.0000000 0.1856874), wk = 0.0030864 k( 129) = ( 0.0000000 0.0000000 0.2025681), wk = 0.0030864 k( 130) = ( 0.0000000 0.0000000 0.2194487), wk = 0.0030864 k( 131) = ( 0.0000000 0.0000000 0.2363294), wk = 0.0030864 k( 132) = ( 0.0000000 0.0000000 0.2532101), wk = 0.0030864 k( 133) = ( 0.0000000 0.0000000 0.2700908), wk = 0.0030864 k( 134) = ( 0.0000000 0.0000000 0.2869714), wk = 0.0030864 k( 135) = ( 0.0000000 0.0000000 0.3038521), wk = 0.0030864 k( 136) = ( 0.0000000 0.0000000 0.3207328), wk = 0.0030864 k( 137) = ( 0.0000000 0.0000000 0.3376134), wk = 0.0030864 k( 138) = ( 0.0000000 0.0000000 0.3544941), wk = 0.0030864 k( 139) = ( 0.0000000 0.0000000 0.3713748), wk = 0.0030864 k( 140) = ( 0.0000000 0.0000000 0.3713748), wk = 0.0030864 k( 141) = ( 0.0166667 -0.0000000 0.3713748), wk = 0.0030864 k( 142) = ( 0.0333333 -0.0000000 0.3713748), wk = 0.0030864 k( 143) = ( 0.0500000 -0.0000000 0.3713748), wk = 0.0030864 k( 144) = ( 0.0666667 -0.0000000 0.3713748), wk = 0.0030864 k( 145) = ( 0.0833333 -0.0000000 0.3713748), wk = 0.0030864 k( 146) = ( 0.1000000 -0.0000000 0.3713748), wk = 0.0030864 k( 147) = ( 0.1166667 -0.0000000 0.3713748), wk = 0.0030864 k( 148) = ( 0.1333333 -0.0000000 0.3713748), wk = 0.0030864 k( 149) = ( 0.1500000 -0.0000000 0.3713748), wk = 0.0030864 k( 150) = ( 0.1666667 -0.0000000 0.3713748), wk = 0.0030864 k( 151) = ( 0.1833333 -0.0000000 0.3713748), wk = 0.0030864 k( 152) = ( 0.2000000 -0.0000000 0.3713748), wk = 0.0030864 k( 153) = ( 0.2166667 -0.0000000 0.3713748), wk = 0.0030864 k( 154) = ( 0.2333333 -0.0000000 0.3713748), wk = 0.0030864 k( 155) = ( 0.2500000 -0.0000000 0.3713748), wk = 0.0030864 k( 156) = ( 0.2666667 -0.0000000 0.3713748), wk = 0.0030864 k( 157) = ( 0.2833333 -0.0000000 0.3713748), wk = 0.0030864 k( 158) = ( 0.3000000 -0.0000000 0.3713748), wk = 0.0030864 k( 159) = ( 0.3166667 -0.0000000 0.3713748), wk = 0.0030864 k( 160) = ( 0.3333333 -0.0000000 0.3713748), wk = 0.0030864 k( 161) = ( 0.3500000 -0.0000000 0.3713748), wk = 0.0030864 k( 162) = ( 0.3666667 -0.0000000 0.3713748), wk = 0.0030864 k( 163) = ( 0.3833333 -0.0000000 0.3713748), wk = 0.0030864 k( 164) = ( 0.4000000 -0.0000000 0.3713748), wk = 0.0030864 k( 165) = ( 0.4166667 -0.0000000 0.3713748), wk = 0.0030864 k( 166) = ( 0.4333333 -0.0000000 0.3713748), wk = 0.0030864 k( 167) = ( 0.4500000 -0.0000000 0.3713748), wk = 0.0030864 k( 168) = ( 0.4666667 -0.0000000 0.3713748), wk = 0.0030864 k( 169) = ( 0.4833333 -0.0000000 0.3713748), wk = 0.0030864 k( 170) = ( 0.5000000 -0.0000000 0.3713748), wk = 0.0030864 k( 171) = ( 0.5000000 -0.0000000 0.3713748), wk = 0.0030864 k( 172) = ( 0.5000000 0.0164937 0.3713748), wk = 0.0030864 k( 173) = ( 0.5000000 0.0329874 0.3713748), wk = 0.0030864 k( 174) = ( 0.5000000 0.0494811 0.3713748), wk = 0.0030864 k( 175) = ( 0.5000000 0.0659748 0.3713748), wk = 0.0030864 k( 176) = ( 0.5000000 0.0824685 0.3713748), wk = 0.0030864 k( 177) = ( 0.5000000 0.0989621 0.3713748), wk = 0.0030864 k( 178) = ( 0.5000000 0.1154558 0.3713748), wk = 0.0030864 k( 179) = ( 0.5000000 0.1319495 0.3713748), wk = 0.0030864 k( 180) = ( 0.5000000 0.1484432 0.3713748), wk = 0.0030864 k( 181) = ( 0.5000000 0.1649369 0.3713748), wk = 0.0030864 k( 182) = ( 0.5000000 0.1814306 0.3713748), wk = 0.0030864 k( 183) = ( 0.5000000 0.1979243 0.3713748), wk = 0.0030864 k( 184) = ( 0.5000000 0.2144180 0.3713748), wk = 0.0030864 k( 185) = ( 0.5000000 0.2309117 0.3713748), wk = 0.0030864 k( 186) = ( 0.5000000 0.2474053 0.3713748), wk = 0.0030864 k( 187) = ( 0.5000000 0.2638990 0.3713748), wk = 0.0030864 k( 188) = ( 0.5000000 0.2803927 0.3713748), wk = 0.0030864 k( 189) = ( 0.5000000 0.2968864 0.3713748), wk = 0.0030864 k( 190) = ( 0.5000000 0.3133801 0.3713748), wk = 0.0030864 k( 191) = ( 0.5000000 0.3298738 0.3713748), wk = 0.0030864 k( 192) = ( 0.5000000 0.3463675 0.3713748), wk = 0.0030864 k( 193) = ( 0.5000000 0.3628612 0.3713748), wk = 0.0030864 k( 194) = ( 0.5000000 0.3793549 0.3713748), wk = 0.0030864 k( 195) = ( 0.5000000 0.3958486 0.3713748), wk = 0.0030864 k( 196) = ( 0.5000000 0.4123422 0.3713748), wk = 0.0030864 k( 197) = ( 0.5000000 0.4288359 0.3713748), wk = 0.0030864 k( 198) = ( 0.5000000 0.4288359 0.3713748), wk = 0.0030864 k( 199) = ( 0.4833333 0.4288359 0.3713748), wk = 0.0030864 k( 200) = ( 0.4666667 0.4288359 0.3713748), wk = 0.0030864 k( 201) = ( 0.4500000 0.4288359 0.3713748), wk = 0.0030864 k( 202) = ( 0.4333333 0.4288359 0.3713748), wk = 0.0030864 k( 203) = ( 0.4166667 0.4288359 0.3713748), wk = 0.0030864 k( 204) = ( 0.4000000 0.4288359 0.3713748), wk = 0.0030864 k( 205) = ( 0.3833333 0.4288359 0.3713748), wk = 0.0030864 k( 206) = ( 0.3666667 0.4288359 0.3713748), wk = 0.0030864 k( 207) = ( 0.3500000 0.4288359 0.3713748), wk = 0.0030864 k( 208) = ( 0.3333333 0.4288359 0.3713748), wk = 0.0030864 k( 209) = ( 0.3166667 0.4288359 0.3713748), wk = 0.0030864 k( 210) = ( 0.3000000 0.4288359 0.3713748), wk = 0.0030864 k( 211) = ( 0.2833333 0.4288359 0.3713748), wk = 0.0030864 k( 212) = ( 0.2666667 0.4288359 0.3713748), wk = 0.0030864 k( 213) = ( 0.2500000 0.4288359 0.3713748), wk = 0.0030864 k( 214) = ( 0.2333333 0.4288359 0.3713748), wk = 0.0030864 k( 215) = ( 0.2166667 0.4288359 0.3713748), wk = 0.0030864 k( 216) = ( 0.2000000 0.4288359 0.3713748), wk = 0.0030864 k( 217) = ( 0.1833333 0.4288359 0.3713748), wk = 0.0030864 k( 218) = ( 0.1666667 0.4288359 0.3713748), wk = 0.0030864 k( 219) = ( 0.1500000 0.4288359 0.3713748), wk = 0.0030864 k( 220) = ( 0.1333333 0.4288359 0.3713748), wk = 0.0030864 k( 221) = ( 0.1166667 0.4288359 0.3713748), wk = 0.0030864 k( 222) = ( 0.1000000 0.4288359 0.3713748), wk = 0.0030864 k( 223) = ( 0.0833333 0.4288359 0.3713748), wk = 0.0030864 k( 224) = ( 0.0666667 0.4288359 0.3713748), wk = 0.0030864 k( 225) = ( 0.0500000 0.4288359 0.3713748), wk = 0.0030864 k( 226) = ( 0.0333333 0.4288359 0.3713748), wk = 0.0030864 k( 227) = ( 0.0166667 0.4288359 0.3713748), wk = 0.0030864 k( 228) = ( 0.0000000 0.4288359 0.3713748), wk = 0.0030864 k( 229) = ( 0.0000000 0.4288359 0.3713748), wk = 0.0030864 k( 230) = ( 0.0000000 0.4123422 0.3713748), wk = 0.0030864 k( 231) = ( 0.0000000 0.3958486 0.3713748), wk = 0.0030864 k( 232) = ( 0.0000000 0.3793549 0.3713748), wk = 0.0030864 k( 233) = ( 0.0000000 0.3628612 0.3713748), wk = 0.0030864 k( 234) = ( 0.0000000 0.3463675 0.3713748), wk = 0.0030864 k( 235) = ( 0.0000000 0.3298738 0.3713748), wk = 0.0030864 k( 236) = ( 0.0000000 0.3133801 0.3713748), wk = 0.0030864 k( 237) = ( 0.0000000 0.2968864 0.3713748), wk = 0.0030864 k( 238) = ( 0.0000000 0.2803927 0.3713748), wk = 0.0030864 k( 239) = ( 0.0000000 0.2638990 0.3713748), wk = 0.0030864 k( 240) = ( 0.0000000 0.2474053 0.3713748), wk = 0.0030864 k( 241) = ( 0.0000000 0.2309117 0.3713748), wk = 0.0030864 k( 242) = ( 0.0000000 0.2144180 0.3713748), wk = 0.0030864 k( 243) = ( 0.0000000 0.1979243 0.3713748), wk = 0.0030864 k( 244) = ( 0.0000000 0.1814306 0.3713748), wk = 0.0030864 k( 245) = ( 0.0000000 0.1649369 0.3713748), wk = 0.0030864 k( 246) = ( 0.0000000 0.1484432 0.3713748), wk = 0.0030864 k( 247) = ( 0.0000000 0.1319495 0.3713748), wk = 0.0030864 k( 248) = ( 0.0000000 0.1154558 0.3713748), wk = 0.0030864 k( 249) = ( 0.0000000 0.0989621 0.3713748), wk = 0.0030864 k( 250) = ( 0.0000000 0.0824685 0.3713748), wk = 0.0030864 k( 251) = ( 0.0000000 0.0659748 0.3713748), wk = 0.0030864 k( 252) = ( 0.0000000 0.0494811 0.3713748), wk = 0.0030864 k( 253) = ( 0.0000000 0.0329874 0.3713748), wk = 0.0030864 k( 254) = ( 0.0000000 0.0164937 0.3713748), wk = 0.0030864 k( 255) = ( 0.0000000 0.0000000 0.3713748), wk = 0.0030864 k( 256) = ( 0.0000000 0.4288359 -0.0000000), wk = 0.0030864 k( 257) = ( 0.0000000 0.4288359 0.0168807), wk = 0.0030864 k( 258) = ( 0.0000000 0.4288359 0.0337613), wk = 0.0030864 k( 259) = ( 0.0000000 0.4288359 0.0506420), wk = 0.0030864 k( 260) = ( 0.0000000 0.4288359 0.0675227), wk = 0.0030864 k( 261) = ( 0.0000000 0.4288359 0.0844034), wk = 0.0030864 k( 262) = ( 0.0000000 0.4288359 0.1012840), wk = 0.0030864 k( 263) = ( 0.0000000 0.4288359 0.1181647), wk = 0.0030864 k( 264) = ( 0.0000000 0.4288359 0.1350454), wk = 0.0030864 k( 265) = ( 0.0000000 0.4288359 0.1519260), wk = 0.0030864 k( 266) = ( 0.0000000 0.4288359 0.1688067), wk = 0.0030864 k( 267) = ( 0.0000000 0.4288359 0.1856874), wk = 0.0030864 k( 268) = ( 0.0000000 0.4288359 0.2025681), wk = 0.0030864 k( 269) = ( 0.0000000 0.4288359 0.2194487), wk = 0.0030864 k( 270) = ( 0.0000000 0.4288359 0.2363294), wk = 0.0030864 k( 271) = ( 0.0000000 0.4288359 0.2532101), wk = 0.0030864 k( 272) = ( 0.0000000 0.4288359 0.2700908), wk = 0.0030864 k( 273) = ( 0.0000000 0.4288359 0.2869714), wk = 0.0030864 k( 274) = ( 0.0000000 0.4288359 0.3038521), wk = 0.0030864 k( 275) = ( 0.0000000 0.4288359 0.3207328), wk = 0.0030864 k( 276) = ( 0.0000000 0.4288359 0.3376134), wk = 0.0030864 k( 277) = ( 0.0000000 0.4288359 0.3544941), wk = 0.0030864 k( 278) = ( 0.0000000 0.4288359 0.3713748), wk = 0.0030864 k( 279) = ( 0.5000000 -0.0000000 0.3713748), wk = 0.0030864 k( 280) = ( 0.5000000 -0.0000000 0.3544941), wk = 0.0030864 k( 281) = ( 0.5000000 -0.0000000 0.3376134), wk = 0.0030864 k( 282) = ( 0.5000000 -0.0000000 0.3207328), wk = 0.0030864 k( 283) = ( 0.5000000 -0.0000000 0.3038521), wk = 0.0030864 k( 284) = ( 0.5000000 -0.0000000 0.2869714), wk = 0.0030864 k( 285) = ( 0.5000000 -0.0000000 0.2700908), wk = 0.0030864 k( 286) = ( 0.5000000 -0.0000000 0.2532101), wk = 0.0030864 k( 287) = ( 0.5000000 -0.0000000 0.2363294), wk = 0.0030864 k( 288) = ( 0.5000000 -0.0000000 0.2194487), wk = 0.0030864 k( 289) = ( 0.5000000 -0.0000000 0.2025681), wk = 0.0030864 k( 290) = ( 0.5000000 -0.0000000 0.1856874), wk = 0.0030864 k( 291) = ( 0.5000000 -0.0000000 0.1688067), wk = 0.0030864 k( 292) = ( 0.5000000 -0.0000000 0.1519260), wk = 0.0030864 k( 293) = ( 0.5000000 -0.0000000 0.1350454), wk = 0.0030864 k( 294) = ( 0.5000000 -0.0000000 0.1181647), wk = 0.0030864 k( 295) = ( 0.5000000 -0.0000000 0.1012840), wk = 0.0030864 k( 296) = ( 0.5000000 -0.0000000 0.0844034), wk = 0.0030864 k( 297) = ( 0.5000000 -0.0000000 0.0675227), wk = 0.0030864 k( 298) = ( 0.5000000 -0.0000000 0.0506420), wk = 0.0030864 k( 299) = ( 0.5000000 -0.0000000 0.0337613), wk = 0.0030864 k( 300) = ( 0.5000000 -0.0000000 0.0168807), wk = 0.0030864 k( 301) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0030864 k( 302) = ( 0.5000000 0.4288359 -0.0000000), wk = 0.0030864 k( 303) = ( 0.5000000 0.4288359 0.0168807), wk = 0.0030864 k( 304) = ( 0.5000000 0.4288359 0.0337613), wk = 0.0030864 k( 305) = ( 0.5000000 0.4288359 0.0506420), wk = 0.0030864 k( 306) = ( 0.5000000 0.4288359 0.0675227), wk = 0.0030864 k( 307) = ( 0.5000000 0.4288359 0.0844034), wk = 0.0030864 k( 308) = ( 0.5000000 0.4288359 0.1012840), wk = 0.0030864 k( 309) = ( 0.5000000 0.4288359 0.1181647), wk = 0.0030864 k( 310) = ( 0.5000000 0.4288359 0.1350454), wk = 0.0030864 k( 311) = ( 0.5000000 0.4288359 0.1519260), wk = 0.0030864 k( 312) = ( 0.5000000 0.4288359 0.1688067), wk = 0.0030864 k( 313) = ( 0.5000000 0.4288359 0.1856874), wk = 0.0030864 k( 314) = ( 0.5000000 0.4288359 0.2025681), wk = 0.0030864 k( 315) = ( 0.5000000 0.4288359 0.2194487), wk = 0.0030864 k( 316) = ( 0.5000000 0.4288359 0.2363294), wk = 0.0030864 k( 317) = ( 0.5000000 0.4288359 0.2532101), wk = 0.0030864 k( 318) = ( 0.5000000 0.4288359 0.2700908), wk = 0.0030864 k( 319) = ( 0.5000000 0.4288359 0.2869714), wk = 0.0030864 k( 320) = ( 0.5000000 0.4288359 0.3038521), wk = 0.0030864 k( 321) = ( 0.5000000 0.4288359 0.3207328), wk = 0.0030864 k( 322) = ( 0.5000000 0.4288359 0.3376134), wk = 0.0030864 k( 323) = ( 0.5000000 0.4288359 0.3544941), wk = 0.0030864 k( 324) = ( 0.5000000 0.4288359 0.3713748), wk = 0.0030864 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030864 k( 2) = ( 0.0166667 0.0000000 -0.0000000), wk = 0.0030864 k( 3) = ( 0.0333333 -0.0000000 0.0000000), wk = 0.0030864 k( 4) = ( 0.0500000 -0.0000000 -0.0000000), wk = 0.0030864 k( 5) = ( 0.0666667 -0.0000000 0.0000000), wk = 0.0030864 k( 6) = ( 0.0833333 0.0000000 0.0000000), wk = 0.0030864 k( 7) = ( 0.1000000 -0.0000000 -0.0000000), wk = 0.0030864 k( 8) = ( 0.1166667 -0.0000000 -0.0000000), wk = 0.0030864 k( 9) = ( 0.1333333 -0.0000000 -0.0000000), wk = 0.0030864 k( 10) = ( 0.1500000 -0.0000000 0.0000000), wk = 0.0030864 k( 11) = ( 0.1666667 -0.0000000 -0.0000000), wk = 0.0030864 k( 12) = ( 0.1833333 0.0000000 -0.0000000), wk = 0.0030864 k( 13) = ( 0.2000000 -0.0000000 -0.0000000), wk = 0.0030864 k( 14) = ( 0.2166667 -0.0000000 0.0000000), wk = 0.0030864 k( 15) = ( 0.2333333 -0.0000000 0.0000000), wk = 0.0030864 k( 16) = ( 0.2500000 0.0000000 -0.0000000), wk = 0.0030864 k( 17) = ( 0.2666667 -0.0000000 -0.0000000), wk = 0.0030864 k( 18) = ( 0.2833333 -0.0000000 -0.0000000), wk = 0.0030864 k( 19) = ( 0.3000000 -0.0000000 0.0000000), wk = 0.0030864 k( 20) = ( 0.3166667 0.0000000 0.0000000), wk = 0.0030864 k( 21) = ( 0.3333333 -0.0000000 0.0000000), wk = 0.0030864 k( 22) = ( 0.3500000 -0.0000000 -0.0000000), wk = 0.0030864 k( 23) = ( 0.3666667 -0.0000000 -0.0000000), wk = 0.0030864 k( 24) = ( 0.3833333 -0.0000000 -0.0000000), wk = 0.0030864 k( 25) = ( 0.4000000 -0.0000000 -0.0000000), wk = 0.0030864 k( 26) = ( 0.4166667 -0.0000000 -0.0000000), wk = 0.0030864 k( 27) = ( 0.4333333 -0.0000000 -0.0000000), wk = 0.0030864 k( 28) = ( 0.4500000 -0.0000000 0.0000000), wk = 0.0030864 k( 29) = ( 0.4666667 -0.0000000 -0.0000000), wk = 0.0030864 k( 30) = ( 0.4833333 -0.0000000 -0.0000000), wk = 0.0030864 k( 31) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0030864 k( 32) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0030864 k( 33) = ( 0.5000000 0.0192308 -0.0000000), wk = 0.0030864 k( 34) = ( 0.5000000 0.0384615 -0.0000000), wk = 0.0030864 k( 35) = ( 0.5000000 0.0576923 -0.0000000), wk = 0.0030864 k( 36) = ( 0.5000000 0.0769231 -0.0000000), wk = 0.0030864 k( 37) = ( 0.5000000 0.0961538 0.0000000), wk = 0.0030864 k( 38) = ( 0.5000000 0.1153846 -0.0000000), wk = 0.0030864 k( 39) = ( 0.5000000 0.1346154 -0.0000000), wk = 0.0030864 k( 40) = ( 0.5000000 0.1538461 0.0000000), wk = 0.0030864 k( 41) = ( 0.5000000 0.1730769 -0.0000000), wk = 0.0030864 k( 42) = ( 0.5000000 0.1923077 0.0000000), wk = 0.0030864 k( 43) = ( 0.5000000 0.2115385 0.0000000), wk = 0.0030864 k( 44) = ( 0.5000000 0.2307692 -0.0000000), wk = 0.0030864 k( 45) = ( 0.5000000 0.2500000 -0.0000000), wk = 0.0030864 k( 46) = ( 0.5000000 0.2692308 0.0000000), wk = 0.0030864 k( 47) = ( 0.5000000 0.2884615 -0.0000000), wk = 0.0030864 k( 48) = ( 0.5000000 0.3076923 -0.0000000), wk = 0.0030864 k( 49) = ( 0.5000000 0.3269231 -0.0000000), wk = 0.0030864 k( 50) = ( 0.5000000 0.3461538 -0.0000000), wk = 0.0030864 k( 51) = ( 0.5000000 0.3653846 0.0000000), wk = 0.0030864 k( 52) = ( 0.5000000 0.3846154 0.0000000), wk = 0.0030864 k( 53) = ( 0.5000000 0.4038462 0.0000000), wk = 0.0030864 k( 54) = ( 0.5000000 0.4230769 0.0000000), wk = 0.0030864 k( 55) = ( 0.5000000 0.4423077 0.0000000), wk = 0.0030864 k( 56) = ( 0.5000000 0.4615385 -0.0000000), wk = 0.0030864 k( 57) = ( 0.5000000 0.4807692 0.0000000), wk = 0.0030864 k( 58) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0030864 k( 59) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0030864 k( 60) = ( 0.4833333 0.5000000 -0.0000000), wk = 0.0030864 k( 61) = ( 0.4666667 0.5000000 -0.0000000), wk = 0.0030864 k( 62) = ( 0.4500000 0.5000000 -0.0000000), wk = 0.0030864 k( 63) = ( 0.4333333 0.5000000 -0.0000000), wk = 0.0030864 k( 64) = ( 0.4166667 0.5000000 -0.0000000), wk = 0.0030864 k( 65) = ( 0.4000000 0.5000000 0.0000000), wk = 0.0030864 k( 66) = ( 0.3833333 0.5000000 0.0000000), wk = 0.0030864 k( 67) = ( 0.3666667 0.5000000 -0.0000000), wk = 0.0030864 k( 68) = ( 0.3500000 0.5000000 -0.0000000), wk = 0.0030864 k( 69) = ( 0.3333333 0.5000000 -0.0000000), wk = 0.0030864 k( 70) = ( 0.3166667 0.5000000 -0.0000000), wk = 0.0030864 k( 71) = ( 0.3000000 0.5000000 -0.0000000), wk = 0.0030864 k( 72) = ( 0.2833333 0.5000000 0.0000000), wk = 0.0030864 k( 73) = ( 0.2666667 0.5000000 0.0000000), wk = 0.0030864 k( 74) = ( 0.2500000 0.5000000 0.0000000), wk = 0.0030864 k( 75) = ( 0.2333333 0.5000000 0.0000000), wk = 0.0030864 k( 76) = ( 0.2166667 0.5000000 0.0000000), wk = 0.0030864 k( 77) = ( 0.2000000 0.5000000 0.0000000), wk = 0.0030864 k( 78) = ( 0.1833333 0.5000000 0.0000000), wk = 0.0030864 k( 79) = ( 0.1666667 0.5000000 0.0000000), wk = 0.0030864 k( 80) = ( 0.1500000 0.5000000 0.0000000), wk = 0.0030864 k( 81) = ( 0.1333333 0.5000000 0.0000000), wk = 0.0030864 k( 82) = ( 0.1166667 0.5000000 0.0000000), wk = 0.0030864 k( 83) = ( 0.1000000 0.5000000 0.0000000), wk = 0.0030864 k( 84) = ( 0.0833333 0.5000000 0.0000000), wk = 0.0030864 k( 85) = ( 0.0666667 0.5000000 0.0000000), wk = 0.0030864 k( 86) = ( 0.0500000 0.5000000 0.0000000), wk = 0.0030864 k( 87) = ( 0.0333333 0.5000000 0.0000000), wk = 0.0030864 k( 88) = ( 0.0166667 0.5000000 -0.0000000), wk = 0.0030864 k( 89) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0030864 k( 90) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0030864 k( 91) = ( 0.0000000 0.4807692 0.0000000), wk = 0.0030864 k( 92) = ( 0.0000000 0.4615385 0.0000000), wk = 0.0030864 k( 93) = ( 0.0000000 0.4423077 0.0000000), wk = 0.0030864 k( 94) = ( 0.0000000 0.4230769 0.0000000), wk = 0.0030864 k( 95) = ( 0.0000000 0.4038462 0.0000000), wk = 0.0030864 k( 96) = ( 0.0000000 0.3846154 0.0000000), wk = 0.0030864 k( 97) = ( 0.0000000 0.3653846 0.0000000), wk = 0.0030864 k( 98) = ( 0.0000000 0.3461538 0.0000000), wk = 0.0030864 k( 99) = ( 0.0000000 0.3269231 0.0000000), wk = 0.0030864 k( 100) = ( 0.0000000 0.3076923 -0.0000000), wk = 0.0030864 k( 101) = ( 0.0000000 0.2884615 0.0000000), wk = 0.0030864 k( 102) = ( 0.0000000 0.2692308 0.0000000), wk = 0.0030864 k( 103) = ( 0.0000000 0.2500000 0.0000000), wk = 0.0030864 k( 104) = ( 0.0000000 0.2307692 0.0000000), wk = 0.0030864 k( 105) = ( 0.0000000 0.2115385 0.0000000), wk = 0.0030864 k( 106) = ( 0.0000000 0.1923077 0.0000000), wk = 0.0030864 k( 107) = ( 0.0000000 0.1730769 0.0000000), wk = 0.0030864 k( 108) = ( 0.0000000 0.1538462 0.0000000), wk = 0.0030864 k( 109) = ( 0.0000000 0.1346154 0.0000000), wk = 0.0030864 k( 110) = ( 0.0000000 0.1153846 0.0000000), wk = 0.0030864 k( 111) = ( 0.0000000 0.0961539 0.0000000), wk = 0.0030864 k( 112) = ( 0.0000000 0.0769231 0.0000000), wk = 0.0030864 k( 113) = ( 0.0000000 0.0576923 0.0000000), wk = 0.0030864 k( 114) = ( 0.0000000 0.0384615 0.0000000), wk = 0.0030864 k( 115) = ( 0.0000000 0.0192308 0.0000000), wk = 0.0030864 k( 116) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030864 k( 117) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030864 k( 118) = ( 0.0000000 0.0000000 0.0227273), wk = 0.0030864 k( 119) = ( 0.0000000 0.0000000 0.0454546), wk = 0.0030864 k( 120) = ( 0.0000000 0.0000000 0.0681818), wk = 0.0030864 k( 121) = ( 0.0000000 0.0000000 0.0909091), wk = 0.0030864 k( 122) = ( 0.0000000 0.0000000 0.1136364), wk = 0.0030864 k( 123) = ( 0.0000000 0.0000000 0.1363636), wk = 0.0030864 k( 124) = ( 0.0000000 0.0000000 0.1590909), wk = 0.0030864 k( 125) = ( 0.0000000 0.0000000 0.1818182), wk = 0.0030864 k( 126) = ( 0.0000000 0.0000000 0.2045455), wk = 0.0030864 k( 127) = ( 0.0000000 0.0000000 0.2272727), wk = 0.0030864 k( 128) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0030864 k( 129) = ( 0.0000000 0.0000000 0.2727273), wk = 0.0030864 k( 130) = ( 0.0000000 0.0000000 0.2954546), wk = 0.0030864 k( 131) = ( 0.0000000 0.0000000 0.3181818), wk = 0.0030864 k( 132) = ( 0.0000000 0.0000000 0.3409091), wk = 0.0030864 k( 133) = ( 0.0000000 0.0000000 0.3636364), wk = 0.0030864 k( 134) = ( 0.0000000 0.0000000 0.3863636), wk = 0.0030864 k( 135) = ( 0.0000000 0.0000000 0.4090909), wk = 0.0030864 k( 136) = ( 0.0000000 0.0000000 0.4318182), wk = 0.0030864 k( 137) = ( 0.0000000 0.0000000 0.4545455), wk = 0.0030864 k( 138) = ( 0.0000000 0.0000000 0.4772727), wk = 0.0030864 k( 139) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0030864 k( 140) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0030864 k( 141) = ( 0.0166667 0.0000000 0.5000000), wk = 0.0030864 k( 142) = ( 0.0333333 -0.0000000 0.5000000), wk = 0.0030864 k( 143) = ( 0.0500000 -0.0000000 0.5000000), wk = 0.0030864 k( 144) = ( 0.0666667 -0.0000000 0.5000000), wk = 0.0030864 k( 145) = ( 0.0833333 0.0000000 0.5000000), wk = 0.0030864 k( 146) = ( 0.1000000 -0.0000000 0.5000000), wk = 0.0030864 k( 147) = ( 0.1166667 -0.0000000 0.5000000), wk = 0.0030864 k( 148) = ( 0.1333333 -0.0000000 0.5000000), wk = 0.0030864 k( 149) = ( 0.1500000 -0.0000000 0.5000000), wk = 0.0030864 k( 150) = ( 0.1666667 -0.0000000 0.5000000), wk = 0.0030864 k( 151) = ( 0.1833333 0.0000000 0.5000000), wk = 0.0030864 k( 152) = ( 0.2000000 -0.0000000 0.5000000), wk = 0.0030864 k( 153) = ( 0.2166667 -0.0000000 0.5000000), wk = 0.0030864 k( 154) = ( 0.2333333 -0.0000000 0.5000000), wk = 0.0030864 k( 155) = ( 0.2500000 0.0000000 0.5000000), wk = 0.0030864 k( 156) = ( 0.2666667 -0.0000000 0.5000000), wk = 0.0030864 k( 157) = ( 0.2833333 -0.0000000 0.5000000), wk = 0.0030864 k( 158) = ( 0.3000000 -0.0000000 0.5000000), wk = 0.0030864 k( 159) = ( 0.3166667 0.0000000 0.5000000), wk = 0.0030864 k( 160) = ( 0.3333333 -0.0000000 0.5000000), wk = 0.0030864 k( 161) = ( 0.3500000 -0.0000000 0.5000000), wk = 0.0030864 k( 162) = ( 0.3666667 -0.0000000 0.5000000), wk = 0.0030864 k( 163) = ( 0.3833333 -0.0000000 0.5000000), wk = 0.0030864 k( 164) = ( 0.4000000 -0.0000000 0.5000000), wk = 0.0030864 k( 165) = ( 0.4166667 -0.0000000 0.5000000), wk = 0.0030864 k( 166) = ( 0.4333333 -0.0000000 0.5000000), wk = 0.0030864 k( 167) = ( 0.4500000 -0.0000000 0.5000000), wk = 0.0030864 k( 168) = ( 0.4666667 -0.0000000 0.5000000), wk = 0.0030864 k( 169) = ( 0.4833333 -0.0000000 0.5000000), wk = 0.0030864 k( 170) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0030864 k( 171) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0030864 k( 172) = ( 0.5000000 0.0192308 0.5000000), wk = 0.0030864 k( 173) = ( 0.5000000 0.0384615 0.5000000), wk = 0.0030864 k( 174) = ( 0.5000000 0.0576923 0.5000000), wk = 0.0030864 k( 175) = ( 0.5000000 0.0769231 0.5000000), wk = 0.0030864 k( 176) = ( 0.5000000 0.0961538 0.5000000), wk = 0.0030864 k( 177) = ( 0.5000000 0.1153846 0.5000000), wk = 0.0030864 k( 178) = ( 0.5000000 0.1346154 0.5000000), wk = 0.0030864 k( 179) = ( 0.5000000 0.1538461 0.5000000), wk = 0.0030864 k( 180) = ( 0.5000000 0.1730769 0.5000000), wk = 0.0030864 k( 181) = ( 0.5000000 0.1923077 0.5000000), wk = 0.0030864 k( 182) = ( 0.5000000 0.2115385 0.5000000), wk = 0.0030864 k( 183) = ( 0.5000000 0.2307692 0.5000000), wk = 0.0030864 k( 184) = ( 0.5000000 0.2500000 0.5000000), wk = 0.0030864 k( 185) = ( 0.5000000 0.2692308 0.5000000), wk = 0.0030864 k( 186) = ( 0.5000000 0.2884615 0.5000000), wk = 0.0030864 k( 187) = ( 0.5000000 0.3076923 0.5000000), wk = 0.0030864 k( 188) = ( 0.5000000 0.3269231 0.5000000), wk = 0.0030864 k( 189) = ( 0.5000000 0.3461538 0.5000000), wk = 0.0030864 k( 190) = ( 0.5000000 0.3653846 0.5000000), wk = 0.0030864 k( 191) = ( 0.5000000 0.3846154 0.5000000), wk = 0.0030864 k( 192) = ( 0.5000000 0.4038462 0.5000000), wk = 0.0030864 k( 193) = ( 0.5000000 0.4230769 0.5000000), wk = 0.0030864 k( 194) = ( 0.5000000 0.4423077 0.5000000), wk = 0.0030864 k( 195) = ( 0.5000000 0.4615385 0.5000000), wk = 0.0030864 k( 196) = ( 0.5000000 0.4807692 0.5000000), wk = 0.0030864 k( 197) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0030864 k( 198) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0030864 k( 199) = ( 0.4833333 0.5000000 0.5000000), wk = 0.0030864 k( 200) = ( 0.4666667 0.5000000 0.5000000), wk = 0.0030864 k( 201) = ( 0.4500000 0.5000000 0.5000000), wk = 0.0030864 k( 202) = ( 0.4333333 0.5000000 0.5000000), wk = 0.0030864 k( 203) = ( 0.4166667 0.5000000 0.5000000), wk = 0.0030864 k( 204) = ( 0.4000000 0.5000000 0.5000000), wk = 0.0030864 k( 205) = ( 0.3833333 0.5000000 0.5000000), wk = 0.0030864 k( 206) = ( 0.3666667 0.5000000 0.5000000), wk = 0.0030864 k( 207) = ( 0.3500000 0.5000000 0.5000000), wk = 0.0030864 k( 208) = ( 0.3333333 0.5000000 0.5000000), wk = 0.0030864 k( 209) = ( 0.3166667 0.5000000 0.5000000), wk = 0.0030864 k( 210) = ( 0.3000000 0.5000000 0.5000000), wk = 0.0030864 k( 211) = ( 0.2833333 0.5000000 0.5000000), wk = 0.0030864 k( 212) = ( 0.2666667 0.5000000 0.5000000), wk = 0.0030864 k( 213) = ( 0.2500000 0.5000000 0.5000000), wk = 0.0030864 k( 214) = ( 0.2333333 0.5000000 0.5000000), wk = 0.0030864 k( 215) = ( 0.2166667 0.5000000 0.5000000), wk = 0.0030864 k( 216) = ( 0.2000000 0.5000000 0.5000000), wk = 0.0030864 k( 217) = ( 0.1833333 0.5000000 0.5000000), wk = 0.0030864 k( 218) = ( 0.1666667 0.5000000 0.5000000), wk = 0.0030864 k( 219) = ( 0.1500000 0.5000000 0.5000000), wk = 0.0030864 k( 220) = ( 0.1333333 0.5000000 0.5000000), wk = 0.0030864 k( 221) = ( 0.1166667 0.5000000 0.5000000), wk = 0.0030864 k( 222) = ( 0.1000000 0.5000000 0.5000000), wk = 0.0030864 k( 223) = ( 0.0833333 0.5000000 0.5000000), wk = 0.0030864 k( 224) = ( 0.0666667 0.5000000 0.5000000), wk = 0.0030864 k( 225) = ( 0.0500000 0.5000000 0.5000000), wk = 0.0030864 k( 226) = ( 0.0333333 0.5000000 0.5000000), wk = 0.0030864 k( 227) = ( 0.0166667 0.5000000 0.5000000), wk = 0.0030864 k( 228) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0030864 k( 229) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0030864 k( 230) = ( 0.0000000 0.4807692 0.5000000), wk = 0.0030864 k( 231) = ( 0.0000000 0.4615385 0.5000000), wk = 0.0030864 k( 232) = ( 0.0000000 0.4423077 0.5000000), wk = 0.0030864 k( 233) = ( 0.0000000 0.4230769 0.5000000), wk = 0.0030864 k( 234) = ( 0.0000000 0.4038462 0.5000000), wk = 0.0030864 k( 235) = ( 0.0000000 0.3846154 0.5000000), wk = 0.0030864 k( 236) = ( 0.0000000 0.3653846 0.5000000), wk = 0.0030864 k( 237) = ( 0.0000000 0.3461538 0.5000000), wk = 0.0030864 k( 238) = ( 0.0000000 0.3269231 0.5000000), wk = 0.0030864 k( 239) = ( 0.0000000 0.3076923 0.5000000), wk = 0.0030864 k( 240) = ( 0.0000000 0.2884615 0.5000000), wk = 0.0030864 k( 241) = ( 0.0000000 0.2692308 0.5000000), wk = 0.0030864 k( 242) = ( 0.0000000 0.2500000 0.5000000), wk = 0.0030864 k( 243) = ( 0.0000000 0.2307692 0.5000000), wk = 0.0030864 k( 244) = ( 0.0000000 0.2115385 0.5000000), wk = 0.0030864 k( 245) = ( 0.0000000 0.1923077 0.5000000), wk = 0.0030864 k( 246) = ( 0.0000000 0.1730769 0.5000000), wk = 0.0030864 k( 247) = ( 0.0000000 0.1538462 0.5000000), wk = 0.0030864 k( 248) = ( 0.0000000 0.1346154 0.5000000), wk = 0.0030864 k( 249) = ( 0.0000000 0.1153846 0.5000000), wk = 0.0030864 k( 250) = ( 0.0000000 0.0961539 0.5000000), wk = 0.0030864 k( 251) = ( 0.0000000 0.0769231 0.5000000), wk = 0.0030864 k( 252) = ( 0.0000000 0.0576923 0.5000000), wk = 0.0030864 k( 253) = ( 0.0000000 0.0384615 0.5000000), wk = 0.0030864 k( 254) = ( 0.0000000 0.0192308 0.5000000), wk = 0.0030864 k( 255) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0030864 k( 256) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0030864 k( 257) = ( 0.0000000 0.5000000 0.0227273), wk = 0.0030864 k( 258) = ( 0.0000000 0.5000000 0.0454546), wk = 0.0030864 k( 259) = ( 0.0000000 0.5000000 0.0681818), wk = 0.0030864 k( 260) = ( 0.0000000 0.5000000 0.0909091), wk = 0.0030864 k( 261) = ( 0.0000000 0.5000000 0.1136364), wk = 0.0030864 k( 262) = ( 0.0000000 0.5000000 0.1363636), wk = 0.0030864 k( 263) = ( 0.0000000 0.5000000 0.1590909), wk = 0.0030864 k( 264) = ( 0.0000000 0.5000000 0.1818182), wk = 0.0030864 k( 265) = ( 0.0000000 0.5000000 0.2045454), wk = 0.0030864 k( 266) = ( 0.0000000 0.5000000 0.2272727), wk = 0.0030864 k( 267) = ( 0.0000000 0.5000000 0.2500000), wk = 0.0030864 k( 268) = ( 0.0000000 0.5000000 0.2727273), wk = 0.0030864 k( 269) = ( 0.0000000 0.5000000 0.2954545), wk = 0.0030864 k( 270) = ( 0.0000000 0.5000000 0.3181818), wk = 0.0030864 k( 271) = ( 0.0000000 0.5000000 0.3409091), wk = 0.0030864 k( 272) = ( 0.0000000 0.5000000 0.3636364), wk = 0.0030864 k( 273) = ( 0.0000000 0.5000000 0.3863636), wk = 0.0030864 k( 274) = ( 0.0000000 0.5000000 0.4090909), wk = 0.0030864 k( 275) = ( 0.0000000 0.5000000 0.4318182), wk = 0.0030864 k( 276) = ( 0.0000000 0.5000000 0.4545455), wk = 0.0030864 k( 277) = ( 0.0000000 0.5000000 0.4772727), wk = 0.0030864 k( 278) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0030864 k( 279) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0030864 k( 280) = ( 0.5000000 0.0000000 0.4772727), wk = 0.0030864 k( 281) = ( 0.5000000 0.0000000 0.4545455), wk = 0.0030864 k( 282) = ( 0.5000000 0.0000000 0.4318182), wk = 0.0030864 k( 283) = ( 0.5000000 0.0000000 0.4090909), wk = 0.0030864 k( 284) = ( 0.5000000 0.0000000 0.3863636), wk = 0.0030864 k( 285) = ( 0.5000000 0.0000000 0.3636364), wk = 0.0030864 k( 286) = ( 0.5000000 0.0000000 0.3409091), wk = 0.0030864 k( 287) = ( 0.5000000 0.0000000 0.3181818), wk = 0.0030864 k( 288) = ( 0.5000000 0.0000000 0.2954545), wk = 0.0030864 k( 289) = ( 0.5000000 0.0000000 0.2727273), wk = 0.0030864 k( 290) = ( 0.5000000 0.0000000 0.2500000), wk = 0.0030864 k( 291) = ( 0.5000000 0.0000000 0.2272727), wk = 0.0030864 k( 292) = ( 0.5000000 0.0000000 0.2045454), wk = 0.0030864 k( 293) = ( 0.5000000 0.0000000 0.1818182), wk = 0.0030864 k( 294) = ( 0.5000000 0.0000000 0.1590909), wk = 0.0030864 k( 295) = ( 0.5000000 0.0000000 0.1363636), wk = 0.0030864 k( 296) = ( 0.5000000 0.0000000 0.1136364), wk = 0.0030864 k( 297) = ( 0.5000000 0.0000000 0.0909091), wk = 0.0030864 k( 298) = ( 0.5000000 0.0000000 0.0681818), wk = 0.0030864 k( 299) = ( 0.5000000 0.0000000 0.0454546), wk = 0.0030864 k( 300) = ( 0.5000000 0.0000000 0.0227273), wk = 0.0030864 k( 301) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0030864 k( 302) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0030864 k( 303) = ( 0.5000000 0.5000000 0.0227273), wk = 0.0030864 k( 304) = ( 0.5000000 0.5000000 0.0454546), wk = 0.0030864 k( 305) = ( 0.5000000 0.5000000 0.0681818), wk = 0.0030864 k( 306) = ( 0.5000000 0.5000000 0.0909091), wk = 0.0030864 k( 307) = ( 0.5000000 0.5000000 0.1136364), wk = 0.0030864 k( 308) = ( 0.5000000 0.5000000 0.1363636), wk = 0.0030864 k( 309) = ( 0.5000000 0.5000000 0.1590909), wk = 0.0030864 k( 310) = ( 0.5000000 0.5000000 0.1818182), wk = 0.0030864 k( 311) = ( 0.5000000 0.5000000 0.2045454), wk = 0.0030864 k( 312) = ( 0.5000000 0.5000000 0.2272727), wk = 0.0030864 k( 313) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0030864 k( 314) = ( 0.5000000 0.5000000 0.2727273), wk = 0.0030864 k( 315) = ( 0.5000000 0.5000000 0.2954545), wk = 0.0030864 k( 316) = ( 0.5000000 0.5000000 0.3181818), wk = 0.0030864 k( 317) = ( 0.5000000 0.5000000 0.3409091), wk = 0.0030864 k( 318) = ( 0.5000000 0.5000000 0.3636364), wk = 0.0030864 k( 319) = ( 0.5000000 0.5000000 0.3863636), wk = 0.0030864 k( 320) = ( 0.5000000 0.5000000 0.4090909), wk = 0.0030864 k( 321) = ( 0.5000000 0.5000000 0.4318182), wk = 0.0030864 k( 322) = ( 0.5000000 0.5000000 0.4545455), wk = 0.0030864 k( 323) = ( 0.5000000 0.5000000 0.4772727), wk = 0.0030864 k( 324) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0030864 Dense grid: 236197 G-vectors FFT dimensions: ( 72, 80, 90) Smooth grid: 154715 G-vectors FFT dimensions: ( 60, 72, 80) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.54 Mb ( 566, 62) NL pseudopotentials 1.12 Mb ( 283, 260) Each V/rho on FFT grid 0.18 Mb ( 11520) Each G-vector array 0.03 Mb ( 3281) G-vector shells 0.01 Mb ( 1638) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 2.14 Mb ( 566, 248) Each subspace H/S matrix 0.03 Mb ( 41, 41) Each matrix 0.49 Mb ( 260, 2, 62) The potential is recalculated from file : ./CsTeAu.save/charge-density.dat Starting wfc are 72 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 4.6 secs Computing kpt #: 2 total cpu time spent up to now is 6.4 secs Computing kpt #: 3 total cpu time spent up to now is 8.1 secs Computing kpt #: 4 total cpu time spent up to now is 9.8 secs Computing kpt #: 5 total cpu time spent up to now is 11.6 secs Computing kpt #: 6 total cpu time spent up to now is 13.3 secs Computing kpt #: 7 total cpu time spent up to now is 15.1 secs Computing kpt #: 8 total cpu time spent up to now is 17.0 secs Computing kpt #: 9 total cpu time spent up to now is 19.0 secs Computing kpt #: 10 total cpu time spent up to now is 21.0 secs Computing kpt #: 11 total cpu time spent up to now is 23.0 secs Computing kpt #: 12 total cpu time spent up to now is 25.0 secs Computing kpt #: 13 total cpu time spent up to now is 27.1 secs Computing kpt #: 14 total cpu time spent up to now is 29.3 secs Computing kpt #: 15 total cpu time spent up to now is 31.6 secs Computing kpt #: 16 total cpu time spent up to now is 34.1 secs Computing kpt #: 17 total cpu time spent up to now is 36.1 secs Computing kpt #: 18 total cpu time spent up to now is 38.1 secs Computing kpt #: 19 total cpu time spent up to now is 40.1 secs Computing kpt #: 20 total cpu time spent up to now is 42.0 secs Computing kpt #: 21 total cpu time spent up to now is 44.0 secs Computing kpt #: 22 total cpu time spent up to now is 46.0 secs Computing kpt #: 23 total cpu time spent up to now is 47.9 secs Computing kpt #: 24 total cpu time spent up to now is 49.9 secs Computing kpt #: 25 total cpu time spent up to now is 51.8 secs Computing kpt #: 26 total cpu time spent up to now is 53.5 secs Computing kpt #: 27 total cpu time spent up to now is 55.3 secs Computing kpt #: 28 total cpu time spent up to now is 57.0 secs Computing kpt #: 29 total cpu time spent up to now is 58.7 secs Computing kpt #: 30 total cpu time spent up to now is 60.4 secs Computing kpt #: 31 total cpu time spent up to now is 62.1 secs Computing kpt #: 32 total cpu time spent up to now is 63.9 secs Computing kpt #: 33 total cpu time spent up to now is 65.6 secs Computing kpt #: 34 total cpu time spent up to now is 67.3 secs Computing kpt #: 35 total cpu time spent up to now is 69.0 secs Computing kpt #: 36 total cpu time spent up to now is 70.8 secs Computing kpt #: 37 total cpu time spent up to now is 72.5 secs Computing kpt #: 38 total cpu time spent up to now is 74.3 secs Computing kpt #: 39 total cpu time spent up to now is 76.0 secs Computing kpt #: 40 total cpu time spent up to now is 77.8 secs Computing kpt #: 41 total cpu time spent up to now is 79.6 secs Computing kpt #: 42 total cpu time spent up to now is 81.4 secs Computing kpt #: 43 total cpu time spent up to now is 83.4 secs Computing kpt #: 44 total cpu time spent up to now is 85.4 secs Computing kpt #: 45 total cpu time spent up to now is 87.3 secs Computing kpt #: 46 total cpu time spent up to now is 89.3 secs Computing kpt #: 47 total cpu time spent up to now is 91.4 secs Computing kpt #: 48 total cpu time spent up to now is 93.4 secs Computing kpt #: 49 total cpu time spent up to now is 95.5 secs Computing kpt #: 50 total cpu time spent up to now is 97.7 secs Computing kpt #: 51 total cpu time spent up to now is 100.5 secs Computing kpt #: 52 total cpu time spent up to now is 102.7 secs Computing kpt #: 53 total cpu time spent up to now is 105.3 secs Computing kpt #: 54 total cpu time spent up to now is 107.9 secs Computing kpt #: 55 total cpu time spent up to now is 110.5 secs Computing kpt #: 56 total cpu time spent up to now is 113.3 secs Computing kpt #: 57 total cpu time spent up to now is 116.1 secs Computing kpt #: 58 total cpu time spent up to now is 118.8 secs Computing kpt #: 59 total cpu time spent up to now is 121.4 secs Computing kpt #: 60 total cpu time spent up to now is 124.0 secs Computing kpt #: 61 total cpu time spent up to now is 126.6 secs Computing kpt #: 62 total cpu time spent up to now is 129.3 secs Computing kpt #: 63 total cpu time spent up to now is 132.0 secs Computing kpt #: 64 total cpu time spent up to now is 134.6 secs Computing kpt #: 65 total cpu time spent up to now is 137.2 secs Computing kpt #: 66 total cpu time spent up to now is 139.5 secs Computing kpt #: 67 total cpu time spent up to now is 141.8 secs Computing kpt #: 68 total cpu time spent up to now is 144.1 secs Computing kpt #: 69 total cpu time spent up to now is 146.7 secs Computing kpt #: 70 total cpu time spent up to now is 149.3 secs Computing kpt #: 71 total cpu time spent up to now is 152.0 secs Computing kpt #: 72 total cpu time spent up to now is 155.1 secs Computing kpt #: 73 total cpu time spent up to now is 158.7 secs Computing kpt #: 74 total cpu time spent up to now is 162.8 secs Computing kpt #: 75 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 167.2 secs Computing kpt #: 76 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 171.6 secs Computing kpt #: 77 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 176.0 secs Computing kpt #: 78 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 180.2 secs Computing kpt #: 79 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 184.7 secs Computing kpt #: 80 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 189.0 secs Computing kpt #: 81 total cpu time spent up to now is 193.1 secs Computing kpt #: 82 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 197.4 secs Computing kpt #: 83 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 201.7 secs Computing kpt #: 84 total cpu time spent up to now is 204.8 secs Computing kpt #: 85 total cpu time spent up to now is 207.1 secs Computing kpt #: 86 total cpu time spent up to now is 209.6 secs Computing kpt #: 87 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 214.1 secs Computing kpt #: 88 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 218.4 secs Computing kpt #: 89 total cpu time spent up to now is 220.5 secs Computing kpt #: 90 total cpu time spent up to now is 222.6 secs Computing kpt #: 91 total cpu time spent up to now is 224.7 secs Computing kpt #: 92 total cpu time spent up to now is 226.8 secs Computing kpt #: 93 total cpu time spent up to now is 228.9 secs Computing kpt #: 94 total cpu time spent up to now is 231.1 secs Computing kpt #: 95 total cpu time spent up to now is 233.2 secs Computing kpt #: 96 total cpu time spent up to now is 235.4 secs Computing kpt #: 97 total cpu time spent up to now is 237.5 secs Computing kpt #: 98 total cpu time spent up to now is 239.5 secs Computing kpt #: 99 total cpu time spent up to now is 241.5 secs Computing kpt #: 100 total cpu time spent up to now is 243.5 secs Computing kpt #: 101 total cpu time spent up to now is 245.6 secs Computing kpt #: 102 total cpu time spent up to now is 247.4 secs Computing kpt #: 103 total cpu time spent up to now is 249.4 secs Computing kpt #: 104 total cpu time spent up to now is 251.2 secs Computing kpt #: 105 total cpu time spent up to now is 253.0 secs Computing kpt #: 106 total cpu time spent up to now is 254.7 secs Computing kpt #: 107 total cpu time spent up to now is 256.5 secs Computing kpt #: 108 total cpu time spent up to now is 258.3 secs Computing kpt #: 109 total cpu time spent up to now is 260.1 secs Computing kpt #: 110 total cpu time spent up to now is 261.8 secs Computing kpt #: 111 total cpu time spent up to now is 263.6 secs Computing kpt #: 112 total cpu time spent up to now is 265.4 secs Computing kpt #: 113 total cpu time spent up to now is 267.1 secs Computing kpt #: 114 total cpu time spent up to now is 268.8 secs Computing kpt #: 115 total cpu time spent up to now is 270.6 secs Computing kpt #: 116 total cpu time spent up to now is 272.3 secs Computing kpt #: 117 total cpu time spent up to now is 274.0 secs Computing kpt #: 118 total cpu time spent up to now is 275.8 secs Computing kpt #: 119 total cpu time spent up to now is 277.5 secs Computing kpt #: 120 total cpu time spent up to now is 279.3 secs Computing kpt #: 121 total cpu time spent up to now is 281.0 secs Computing kpt #: 122 total cpu time spent up to now is 282.7 secs Computing kpt #: 123 total cpu time spent up to now is 284.5 secs Computing kpt #: 124 total cpu time spent up to now is 286.3 secs Computing kpt #: 125 total cpu time spent up to now is 288.2 secs Computing kpt #: 126 total cpu time spent up to now is 290.2 secs Computing kpt #: 127 total cpu time spent up to now is 292.2 secs Computing kpt #: 128 total cpu time spent up to now is 294.3 secs Computing kpt #: 129 total cpu time spent up to now is 296.4 secs Computing kpt #: 130 total cpu time spent up to now is 298.6 secs Computing kpt #: 131 total cpu time spent up to now is 300.7 secs Computing kpt #: 132 total cpu time spent up to now is 302.9 secs Computing kpt #: 133 total cpu time spent up to now is 305.5 secs Computing kpt #: 134 total cpu time spent up to now is 307.9 secs Computing kpt #: 135 total cpu time spent up to now is 310.6 secs Computing kpt #: 136 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 315.0 secs Computing kpt #: 137 total cpu time spent up to now is 317.7 secs Computing kpt #: 138 total cpu time spent up to now is 320.4 secs Computing kpt #: 139 total cpu time spent up to now is 323.3 secs Computing kpt #: 140 total cpu time spent up to now is 326.1 secs Computing kpt #: 141 total cpu time spent up to now is 329.0 secs Computing kpt #: 142 total cpu time spent up to now is 331.7 secs Computing kpt #: 143 total cpu time spent up to now is 334.9 secs Computing kpt #: 144 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 339.4 secs Computing kpt #: 145 total cpu time spent up to now is 343.8 secs Computing kpt #: 146 total cpu time spent up to now is 348.1 secs Computing kpt #: 147 total cpu time spent up to now is 351.6 secs Computing kpt #: 148 total cpu time spent up to now is 354.9 secs Computing kpt #: 149 total cpu time spent up to now is 358.1 secs Computing kpt #: 150 total cpu time spent up to now is 361.1 secs Computing kpt #: 151 total cpu time spent up to now is 364.4 secs Computing kpt #: 152 total cpu time spent up to now is 368.6 secs Computing kpt #: 153 total cpu time spent up to now is 372.3 secs Computing kpt #: 154 total cpu time spent up to now is 375.2 secs Computing kpt #: 155 total cpu time spent up to now is 377.9 secs Computing kpt #: 156 total cpu time spent up to now is 380.5 secs Computing kpt #: 157 total cpu time spent up to now is 382.8 secs Computing kpt #: 158 total cpu time spent up to now is 385.0 secs Computing kpt #: 159 total cpu time spent up to now is 387.2 secs Computing kpt #: 160 total cpu time spent up to now is 389.3 secs Computing kpt #: 161 total cpu time spent up to now is 391.5 secs Computing kpt #: 162 total cpu time spent up to now is 393.5 secs Computing kpt #: 163 total cpu time spent up to now is 395.5 secs Computing kpt #: 164 total cpu time spent up to now is 397.5 secs Computing kpt #: 165 total cpu time spent up to now is 399.4 secs Computing kpt #: 166 total cpu time spent up to now is 401.2 secs Computing kpt #: 167 total cpu time spent up to now is 403.1 secs Computing kpt #: 168 total cpu time spent up to now is 405.1 secs Computing kpt #: 169 total cpu time spent up to now is 407.0 secs Computing kpt #: 170 total cpu time spent up to now is 409.0 secs Computing kpt #: 171 total cpu time spent up to now is 411.0 secs Computing kpt #: 172 total cpu time spent up to now is 412.9 secs Computing kpt #: 173 total cpu time spent up to now is 414.9 secs Computing kpt #: 174 total cpu time spent up to now is 416.6 secs Computing kpt #: 175 total cpu time spent up to now is 418.4 secs Computing kpt #: 176 total cpu time spent up to now is 420.1 secs Computing kpt #: 177 total cpu time spent up to now is 421.8 secs Computing kpt #: 178 total cpu time spent up to now is 423.5 secs Computing kpt #: 179 total cpu time spent up to now is 425.2 secs Computing kpt #: 180 total cpu time spent up to now is 426.9 secs Computing kpt #: 181 total cpu time spent up to now is 428.7 secs Computing kpt #: 182 total cpu time spent up to now is 430.4 secs Computing kpt #: 183 total cpu time spent up to now is 432.1 secs Computing kpt #: 184 total cpu time spent up to now is 433.8 secs Computing kpt #: 185 total cpu time spent up to now is 435.5 secs Computing kpt #: 186 total cpu time spent up to now is 437.2 secs Computing kpt #: 187 total cpu time spent up to now is 439.0 secs Computing kpt #: 188 total cpu time spent up to now is 440.7 secs Computing kpt #: 189 total cpu time spent up to now is 442.5 secs Computing kpt #: 190 total cpu time spent up to now is 444.2 secs Computing kpt #: 191 total cpu time spent up to now is 446.2 secs Computing kpt #: 192 total cpu time spent up to now is 448.1 secs Computing kpt #: 193 total cpu time spent up to now is 450.2 secs Computing kpt #: 194 total cpu time spent up to now is 452.1 secs Computing kpt #: 195 total cpu time spent up to now is 454.1 secs Computing kpt #: 196 total cpu time spent up to now is 456.3 secs Computing kpt #: 197 total cpu time spent up to now is 458.3 secs Computing kpt #: 198 total cpu time spent up to now is 460.4 secs Computing kpt #: 199 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 464.6 secs Computing kpt #: 200 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 469.0 secs Computing kpt #: 201 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 473.2 secs Computing kpt #: 202 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 477.8 secs Computing kpt #: 203 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 482.1 secs Computing kpt #: 204 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 486.5 secs Computing kpt #: 205 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 490.8 secs Computing kpt #: 206 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 495.1 secs Computing kpt #: 207 total cpu time spent up to now is 498.7 secs Computing kpt #: 208 total cpu time spent up to now is 501.8 secs Computing kpt #: 209 total cpu time spent up to now is 505.0 secs Computing kpt #: 210 total cpu time spent up to now is 508.2 secs Computing kpt #: 211 total cpu time spent up to now is 510.8 secs Computing kpt #: 212 total cpu time spent up to now is 513.4 secs Computing kpt #: 213 total cpu time spent up to now is 515.9 secs Computing kpt #: 214 total cpu time spent up to now is 518.4 secs Computing kpt #: 215 total cpu time spent up to now is 520.9 secs Computing kpt #: 216 total cpu time spent up to now is 523.5 secs Computing kpt #: 217 total cpu time spent up to now is 525.8 secs Computing kpt #: 218 total cpu time spent up to now is 528.1 secs Computing kpt #: 219 total cpu time spent up to now is 530.4 secs Computing kpt #: 220 total cpu time spent up to now is 532.7 secs Computing kpt #: 221 total cpu time spent up to now is 535.0 secs Computing kpt #: 222 total cpu time spent up to now is 537.4 secs Computing kpt #: 223 total cpu time spent up to now is 539.7 secs Computing kpt #: 224 total cpu time spent up to now is 542.1 secs Computing kpt #: 225 total cpu time spent up to now is 544.4 secs Computing kpt #: 226 total cpu time spent up to now is 546.7 secs Computing kpt #: 227 total cpu time spent up to now is 549.3 secs Computing kpt #: 228 total cpu time spent up to now is 551.5 secs Computing kpt #: 229 total cpu time spent up to now is 553.7 secs Computing kpt #: 230 total cpu time spent up to now is 556.2 secs Computing kpt #: 231 total cpu time spent up to now is 558.5 secs Computing kpt #: 232 total cpu time spent up to now is 560.7 secs Computing kpt #: 233 total cpu time spent up to now is 563.1 secs Computing kpt #: 234 total cpu time spent up to now is 565.5 secs Computing kpt #: 235 total cpu time spent up to now is 567.9 secs Computing kpt #: 236 total cpu time spent up to now is 570.5 secs Computing kpt #: 237 total cpu time spent up to now is 573.2 secs Computing kpt #: 238 total cpu time spent up to now is 575.9 secs Computing kpt #: 239 total cpu time spent up to now is 578.3 secs Computing kpt #: 240 total cpu time spent up to now is 580.7 secs Computing kpt #: 241 total cpu time spent up to now is 583.4 secs Computing kpt #: 242 total cpu time spent up to now is 586.0 secs Computing kpt #: 243 total cpu time spent up to now is 588.7 secs Computing kpt #: 244 total cpu time spent up to now is 591.3 secs Computing kpt #: 245 total cpu time spent up to now is 594.2 secs Computing kpt #: 246 total cpu time spent up to now is 596.9 secs Computing kpt #: 247 total cpu time spent up to now is 599.6 secs Computing kpt #: 248 total cpu time spent up to now is 602.3 secs Computing kpt #: 249 total cpu time spent up to now is 605.1 secs Computing kpt #: 250 total cpu time spent up to now is 607.9 secs Computing kpt #: 251 total cpu time spent up to now is 610.7 secs Computing kpt #: 252 total cpu time spent up to now is 613.6 secs Computing kpt #: 253 total cpu time spent up to now is 616.8 secs Computing kpt #: 254 total cpu time spent up to now is 619.8 secs Computing kpt #: 255 total cpu time spent up to now is 622.7 secs Computing kpt #: 256 total cpu time spent up to now is 624.8 secs Computing kpt #: 257 total cpu time spent up to now is 627.0 secs Computing kpt #: 258 total cpu time spent up to now is 629.1 secs Computing kpt #: 259 total cpu time spent up to now is 631.2 secs Computing kpt #: 260 total cpu time spent up to now is 633.4 secs Computing kpt #: 261 total cpu time spent up to now is 635.5 secs Computing kpt #: 262 total cpu time spent up to now is 637.7 secs Computing kpt #: 263 total cpu time spent up to now is 640.1 secs Computing kpt #: 264 total cpu time spent up to now is 642.7 secs Computing kpt #: 265 total cpu time spent up to now is 645.0 secs Computing kpt #: 266 total cpu time spent up to now is 647.2 secs Computing kpt #: 267 total cpu time spent up to now is 649.5 secs Computing kpt #: 268 total cpu time spent up to now is 651.7 secs Computing kpt #: 269 total cpu time spent up to now is 654.1 secs Computing kpt #: 270 total cpu time spent up to now is 656.3 secs Computing kpt #: 271 total cpu time spent up to now is 658.6 secs Computing kpt #: 272 total cpu time spent up to now is 660.8 secs Computing kpt #: 273 total cpu time spent up to now is 663.0 secs Computing kpt #: 274 total cpu time spent up to now is 665.2 secs Computing kpt #: 275 total cpu time spent up to now is 667.4 secs Computing kpt #: 276 total cpu time spent up to now is 669.6 secs Computing kpt #: 277 total cpu time spent up to now is 671.8 secs Computing kpt #: 278 total cpu time spent up to now is 674.0 secs Computing kpt #: 279 total cpu time spent up to now is 676.0 secs Computing kpt #: 280 total cpu time spent up to now is 677.9 secs Computing kpt #: 281 total cpu time spent up to now is 679.9 secs Computing kpt #: 282 total cpu time spent up to now is 681.8 secs Computing kpt #: 283 total cpu time spent up to now is 683.8 secs Computing kpt #: 284 total cpu time spent up to now is 685.8 secs Computing kpt #: 285 total cpu time spent up to now is 687.7 secs Computing kpt #: 286 total cpu time spent up to now is 689.7 secs Computing kpt #: 287 total cpu time spent up to now is 691.7 secs Computing kpt #: 288 total cpu time spent up to now is 693.6 secs Computing kpt #: 289 total cpu time spent up to now is 695.6 secs Computing kpt #: 290 total cpu time spent up to now is 697.6 secs Computing kpt #: 291 total cpu time spent up to now is 699.5 secs Computing kpt #: 292 total cpu time spent up to now is 701.3 secs Computing kpt #: 293 total cpu time spent up to now is 703.1 secs Computing kpt #: 294 total cpu time spent up to now is 704.8 secs Computing kpt #: 295 total cpu time spent up to now is 706.5 secs Computing kpt #: 296 total cpu time spent up to now is 708.3 secs Computing kpt #: 297 total cpu time spent up to now is 710.0 secs Computing kpt #: 298 total cpu time spent up to now is 711.8 secs Computing kpt #: 299 total cpu time spent up to now is 713.5 secs Computing kpt #: 300 total cpu time spent up to now is 715.2 secs Computing kpt #: 301 total cpu time spent up to now is 716.9 secs Computing kpt #: 302 total cpu time spent up to now is 719.5 secs Computing kpt #: 303 total cpu time spent up to now is 722.1 secs Computing kpt #: 304 total cpu time spent up to now is 724.8 secs Computing kpt #: 305 total cpu time spent up to now is 727.4 secs Computing kpt #: 306 total cpu time spent up to now is 729.6 secs Computing kpt #: 307 total cpu time spent up to now is 731.9 secs Computing kpt #: 308 total cpu time spent up to now is 734.1 secs Computing kpt #: 309 total cpu time spent up to now is 736.3 secs Computing kpt #: 310 total cpu time spent up to now is 738.4 secs Computing kpt #: 311 total cpu time spent up to now is 740.5 secs Computing kpt #: 312 total cpu time spent up to now is 742.6 secs Computing kpt #: 313 total cpu time spent up to now is 744.7 secs Computing kpt #: 314 total cpu time spent up to now is 746.8 secs Computing kpt #: 315 total cpu time spent up to now is 748.8 secs Computing kpt #: 316 total cpu time spent up to now is 750.9 secs Computing kpt #: 317 total cpu time spent up to now is 752.9 secs Computing kpt #: 318 total cpu time spent up to now is 755.0 secs Computing kpt #: 319 total cpu time spent up to now is 757.0 secs Computing kpt #: 320 total cpu time spent up to now is 759.0 secs Computing kpt #: 321 total cpu time spent up to now is 761.0 secs Computing kpt #: 322 total cpu time spent up to now is 763.0 secs Computing kpt #: 323 total cpu time spent up to now is 765.0 secs Computing kpt #: 324 total cpu time spent up to now is 767.1 secs ethr = 1.92E-08, avg # of iterations = 37.8 total cpu time spent up to now is 767.1 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 19359 PWs) bands (ev): -14.8076 -14.8076 -14.7461 -14.7461 -5.5207 -5.5207 -4.6105 -4.6105 -3.7030 -3.7030 -3.4915 -3.4915 -2.4538 -2.4538 -2.1809 -2.1809 -2.0931 -2.0931 -1.9783 -1.9783 0.0650 0.0650 0.5505 0.5505 0.8329 0.8329 1.1854 1.1854 1.4216 1.4216 2.2278 2.2278 2.4265 2.4265 2.6981 2.6981 2.8938 2.8938 3.0634 3.0634 3.3375 3.3375 3.7502 3.7502 4.2626 4.2626 4.6040 4.6040 4.9381 4.9381 5.6853 5.6853 6.7035 6.7035 7.2960 7.2960 7.8290 7.8290 8.1833 8.1833 8.3755 8.3755 k = 0.0167-0.0000-0.0000 ( 19347 PWs) bands (ev): -14.8075 -14.8075 -14.7461 -14.7461 -5.5209 -5.5209 -4.6104 -4.6104 -3.7030 -3.7030 -3.4915 -3.4915 -2.4535 -2.4535 -2.1810 -2.1810 -2.0933 -2.0933 -1.9783 -1.9783 0.0650 0.0650 0.5503 0.5503 0.8330 0.8330 1.1853 1.1853 1.4216 1.4216 2.2277 2.2277 2.4263 2.4263 2.6980 2.6980 2.8935 2.8935 3.0633 3.0633 3.3374 3.3374 3.7499 3.7499 4.2619 4.2619 4.6014 4.6014 4.9375 4.9375 5.6827 5.6827 6.7062 6.7062 7.2966 7.2966 7.8293 7.8293 8.1805 8.1805 8.3862 8.3862 k = 0.0333-0.0000-0.0000 ( 19355 PWs) bands (ev): -14.8075 -14.8075 -14.7461 -14.7461 -5.5214 -5.5214 -4.6101 -4.6101 -3.7027 -3.7027 -3.4914 -3.4914 -2.4526 -2.4526 -2.1813 -2.1813 -2.0937 -2.0937 -1.9784 -1.9784 0.0650 0.0650 0.5495 0.5495 0.8333 0.8333 1.1853 1.1853 1.4216 1.4216 2.2276 2.2276 2.4255 2.4255 2.6980 2.6980 2.8927 2.8927 3.0631 3.0631 3.3372 3.3372 3.7491 3.7491 4.2600 4.2600 4.5938 4.5938 4.9357 4.9357 5.6748 5.6748 6.7141 6.7141 7.2983 7.2983 7.8301 7.8301 8.1746 8.1746 8.4158 8.4158 k = 0.0500-0.0000-0.0000 ( 19353 PWs) bands (ev): -14.8074 -14.8074 -14.7460 -14.7460 -5.5224 -5.5224 -4.6095 -4.6095 -3.7023 -3.7023 -3.4913 -3.4913 -2.4512 -2.4512 -2.1818 -2.1818 -2.0945 -2.0945 -1.9785 -1.9785 0.0651 0.0651 0.5482 0.5482 0.8338 0.8338 1.1852 1.1852 1.4217 1.4217 2.2274 2.2274 2.4243 2.4243 2.6979 2.6979 2.8914 2.8914 3.0626 3.0626 3.3368 3.3368 3.7477 3.7477 4.2567 4.2567 4.5814 4.5814 4.9326 4.9326 5.6619 5.6619 6.7272 6.7272 7.3011 7.3011 7.8317 7.8317 8.1698 8.1698 8.4597 8.4597 k = 0.0667-0.0000-0.0000 ( 19329 PWs) bands (ev): -14.8072 -14.8072 -14.7459 -14.7459 -5.5237 -5.5237 -4.6088 -4.6088 -3.7017 -3.7017 -3.4912 -3.4912 -2.4491 -2.4491 -2.1825 -2.1825 -2.0955 -2.0955 -1.9787 -1.9787 0.0652 0.0652 0.5464 0.5464 0.8346 0.8346 1.1851 1.1851 1.4218 1.4218 2.2271 2.2271 2.4227 2.4227 2.6978 2.6978 2.8896 2.8896 3.0621 3.0621 3.3364 3.3364 3.7457 3.7457 4.2521 4.2521 4.5644 4.5644 4.9283 4.9283 5.6444 5.6444 6.7453 6.7453 7.3053 7.3053 7.8344 7.8344 8.1688 8.1688 8.5142 8.5142 k = 0.0833-0.0000-0.0000 ( 19351 PWs) bands (ev): -14.8071 -14.8071 -14.7459 -14.7459 -5.5254 -5.5254 -4.6079 -4.6079 -3.7010 -3.7010 -3.4909 -3.4909 -2.4466 -2.4466 -2.1834 -2.1834 -2.0967 -2.0967 -1.9789 -1.9789 0.0652 0.0652 0.5441 0.5441 0.8355 0.8355 1.1850 1.1850 1.4219 1.4219 2.2267 2.2267 2.4206 2.4206 2.6978 2.6978 2.8873 2.8873 3.0615 3.0615 3.3358 3.3358 3.7430 3.7430 4.2462 4.2462 4.5434 4.5434 4.9229 4.9229 5.6228 5.6228 6.7683 6.7683 7.3108 7.3108 7.8387 7.8387 8.1731 8.1731 8.5769 8.5769 k = 0.1000-0.0000-0.0000 ( 19339 PWs) bands (ev): -14.8068 -14.8068 -14.7457 -14.7457 -5.5274 -5.5274 -4.6068 -4.6068 -3.7001 -3.7001 -3.4907 -3.4907 -2.4435 -2.4435 -2.1844 -2.1844 -2.0983 -2.0983 -1.9792 -1.9792 0.0652 0.0652 0.5412 0.5412 0.8366 0.8366 1.1849 1.1849 1.4221 1.4221 2.2262 2.2262 2.4183 2.4183 2.6977 2.6977 2.8844 2.8844 3.0608 3.0608 3.3353 3.3353 3.7394 3.7394 4.2390 4.2390 4.5187 4.5187 4.9164 4.9164 5.5977 5.5977 6.7959 6.7959 7.3179 7.3179 7.8449 7.8449 8.1829 8.1829 8.6464 8.6464 k = 0.1167-0.0000-0.0000 ( 19343 PWs) bands (ev): -14.8066 -14.8066 -14.7456 -14.7456 -5.5297 -5.5297 -4.6055 -4.6055 -3.6991 -3.6991 -3.4904 -3.4904 -2.4399 -2.4399 -2.1855 -2.1855 -2.1000 -2.1000 -1.9795 -1.9795 0.0652 0.0652 0.5379 0.5379 0.8379 0.8379 1.1849 1.1849 1.4223 1.4223 2.2256 2.2256 2.4156 2.4156 2.6977 2.6977 2.8811 2.8811 3.0602 3.0602 3.3347 3.3347 3.7349 3.7349 4.2305 4.2305 4.4911 4.4911 4.9088 4.9088 5.5698 5.5698 6.8279 6.8279 7.3267 7.3267 7.8537 7.8537 8.1980 8.1980 8.7216 8.7216 k = 0.1333-0.0000-0.0000 ( 19329 PWs) bands (ev): -14.8063 -14.8063 -14.7455 -14.7455 -5.5324 -5.5324 -4.6041 -4.6041 -3.6980 -3.6980 -3.4901 -3.4901 -2.4358 -2.4358 -2.1868 -2.1868 -2.1020 -2.1020 -1.9799 -1.9799 0.0651 0.0651 0.5340 0.5340 0.8392 0.8392 1.1850 1.1850 1.4225 1.4225 2.2248 2.2248 2.4128 2.4128 2.6977 2.6977 2.8774 2.8774 3.0597 3.0597 3.3342 3.3342 3.7292 3.7292 4.2206 4.2206 4.4612 4.4612 4.9003 4.9003 5.5397 5.5397 6.8639 6.8639 7.3373 7.3373 7.8654 7.8654 8.2179 8.2179 8.8015 8.8015 k = 0.1500-0.0000-0.0000 ( 19343 PWs) bands (ev): -14.8060 -14.8060 -14.7453 -14.7453 -5.5352 -5.5352 -4.6026 -4.6026 -3.6968 -3.6968 -3.4897 -3.4897 -2.4314 -2.4314 -2.1882 -2.1882 -2.1042 -2.1042 -1.9803 -1.9803 0.0649 0.0649 0.5297 0.5297 0.8407 0.8407 1.1852 1.1852 1.4228 1.4228 2.2239 2.2239 2.4100 2.4100 2.6978 2.6978 2.8733 2.8733 3.0593 3.0593 3.3338 3.3338 3.7223 3.7223 4.2092 4.2092 4.4297 4.4297 4.8910 4.8910 5.5079 5.5079 6.9037 6.9037 7.3499 7.3499 7.8803 7.8803 8.2419 8.2419 8.8854 8.8854 k = 0.1667-0.0000-0.0000 ( 19353 PWs) bands (ev): -14.8057 -14.8057 -14.7451 -14.7451 -5.5383 -5.5383 -4.6009 -4.6009 -3.6954 -3.6954 -3.4893 -3.4893 -2.4265 -2.4265 -2.1896 -2.1896 -2.1065 -2.1065 -1.9808 -1.9808 0.0646 0.0646 0.5249 0.5249 0.8422 0.8422 1.1856 1.1856 1.4232 1.4232 2.2229 2.2229 2.4071 2.4071 2.6980 2.6980 2.8688 2.8688 3.0591 3.0591 3.3335 3.3335 3.7140 3.7140 4.1964 4.1964 4.3976 4.3976 4.8810 4.8810 5.4751 5.4751 6.9469 6.9469 7.3646 7.3646 7.8986 7.8986 8.2695 8.2695 8.9725 8.9725 k = 0.1833-0.0000-0.0000 ( 19383 PWs) bands (ev): -14.8053 -14.8053 -14.7450 -14.7450 -5.5416 -5.5416 -4.5991 -4.5991 -3.6940 -3.6940 -3.4889 -3.4889 -2.4213 -2.4213 -2.1910 -2.1910 -2.1090 -2.1090 -1.9814 -1.9814 0.0641 0.0641 0.5197 0.5197 0.8437 0.8437 1.1862 1.1862 1.4236 1.4236 2.2217 2.2217 2.4044 2.4044 2.6983 2.6983 2.8641 2.8641 3.0591 3.0591 3.3333 3.3333 3.7041 3.7041 4.1819 4.1819 4.3657 4.3657 4.8704 4.8704 5.4417 5.4417 6.9932 6.9932 7.3815 7.3815 7.9204 7.9204 8.3000 8.3000 9.0622 9.0622 k = 0.2000-0.0000-0.0000 ( 19391 PWs) bands (ev): -14.8049 -14.8049 -14.7448 -14.7448 -5.5451 -5.5451 -4.5972 -4.5972 -3.6925 -3.6925 -3.4884 -3.4884 -2.4158 -2.4158 -2.1925 -2.1925 -2.1116 -2.1116 -1.9819 -1.9819 0.0635 0.0635 0.5141 0.5141 0.8452 0.8452 1.1870 1.1870 1.4240 1.4240 2.2204 2.2204 2.4019 2.4019 2.6987 2.6987 2.8592 2.8592 3.0593 3.0593 3.3333 3.3333 3.6924 3.6924 4.1657 4.1657 4.3348 4.3348 4.8594 4.8594 5.4083 5.4083 7.0422 7.0422 7.4007 7.4007 7.9456 7.9456 8.3327 8.3327 9.1539 9.1539 k = 0.2167-0.0000-0.0000 ( 19385 PWs) bands (ev): -14.8046 -14.8046 -14.7446 -14.7446 -5.5487 -5.5487 -4.5953 -4.5953 -3.6910 -3.6910 -3.4880 -3.4880 -2.4101 -2.4101 -2.1940 -2.1940 -2.1143 -2.1143 -1.9826 -1.9826 0.0628 0.0628 0.5082 0.5082 0.8467 0.8467 1.1881 1.1881 1.4246 1.4246 2.2189 2.2189 2.3998 2.3998 2.6992 2.6992 2.8542 2.8542 3.0599 3.0599 3.3334 3.3334 3.6786 3.6786 4.1477 4.1477 4.3057 4.3057 4.8480 4.8480 5.3753 5.3753 7.0934 7.0934 7.4223 7.4223 7.9741 7.9741 8.3669 8.3669 9.2469 9.2469 k = 0.2333-0.0000-0.0000 ( 19377 PWs) bands (ev): -14.8042 -14.8042 -14.7444 -14.7444 -5.5523 -5.5523 -4.5933 -4.5933 -3.6894 -3.6894 -3.4875 -3.4875 -2.4042 -2.4042 -2.1954 -2.1954 -2.1170 -2.1170 -1.9832 -1.9832 0.0619 0.0619 0.5020 0.5020 0.8481 0.8481 1.1893 1.1893 1.4252 1.4252 2.2173 2.2173 2.3981 2.3981 2.6998 2.6998 2.8490 2.8490 3.0607 3.0607 3.3336 3.3336 3.6628 3.6628 4.1281 4.1281 4.2791 4.2791 4.8365 4.8365 5.3429 5.3429 7.1463 7.1463 7.4463 7.4463 8.0058 8.0058 8.4021 8.4021 9.3405 9.3405 k = 0.2500-0.0000-0.0000 ( 19369 PWs) bands (ev): -14.8038 -14.8038 -14.7442 -14.7442 -5.5560 -5.5560 -4.5913 -4.5913 -3.6878 -3.6878 -3.4870 -3.4870 -2.3982 -2.3982 -2.1968 -2.1968 -2.1198 -2.1198 -1.9839 -1.9839 0.0609 0.0609 0.4956 0.4956 0.8493 0.8493 1.1908 1.1908 1.4258 1.4258 2.2155 2.2155 2.3969 2.3969 2.7006 2.7006 2.8440 2.8440 3.0618 3.0618 3.3340 3.3340 3.6448 3.6448 4.1073 4.1073 4.2553 4.2553 4.8249 4.8249 5.3116 5.3116 7.2004 7.2004 7.4728 7.4728 8.0404 8.0404 8.4376 8.4376 9.4156 9.4156 k = 0.2667-0.0000-0.0000 ( 19357 PWs) bands (ev): -14.8034 -14.8034 -14.7440 -14.7440 -5.5597 -5.5597 -4.5893 -4.5893 -3.6862 -3.6862 -3.4865 -3.4865 -2.3922 -2.3922 -2.1981 -2.1981 -2.1226 -2.1226 -1.9847 -1.9847 0.0597 0.0597 0.4890 0.4890 0.8504 0.8504 1.1925 1.1925 1.4265 1.4265 2.2136 2.2136 2.3963 2.3963 2.7014 2.7014 2.8390 2.8390 3.0632 3.0632 3.3346 3.3346 3.6245 3.6245 4.0858 4.0858 4.2342 4.2342 4.8134 4.8134 5.2816 5.2816 7.2552 7.2552 7.5018 7.5018 8.0776 8.0776 8.4726 8.4726 9.4124 9.4124 k = 0.2833-0.0000-0.0000 ( 19365 PWs) bands (ev): -14.8030 -14.8030 -14.7438 -14.7438 -5.5634 -5.5634 -4.5873 -4.5873 -3.6846 -3.6846 -3.4860 -3.4860 -2.3862 -2.3862 -2.1994 -2.1994 -2.1253 -2.1253 -1.9854 -1.9854 0.0584 0.0584 0.4824 0.4824 0.8514 0.8514 1.1945 1.1945 1.4272 1.4272 2.2116 2.2116 2.3963 2.3963 2.7023 2.7023 2.8341 2.8341 3.0649 3.0649 3.3352 3.3352 3.6022 3.6022 4.0644 4.0644 4.2155 4.2155 4.8021 4.8021 5.2532 5.2532 7.3100 7.3100 7.5332 7.5332 8.1171 8.1171 8.5067 8.5067 9.3853 9.3853 k = 0.3000-0.0000-0.0000 ( 19365 PWs) bands (ev): -14.8026 -14.8026 -14.7436 -14.7436 -5.5670 -5.5670 -4.5853 -4.5853 -3.6830 -3.6830 -3.4855 -3.4855 -2.3802 -2.3802 -2.2005 -2.2005 -2.1280 -2.1280 -1.9861 -1.9861 0.0570 0.0570 0.4758 0.4758 0.8522 0.8522 1.1965 1.1965 1.4279 1.4279 2.2096 2.2096 2.3969 2.3969 2.7033 2.7033 2.8295 2.8295 3.0669 3.0669 3.3359 3.3359 3.5780 3.5780 4.0438 4.0438 4.1990 4.1990 4.7911 4.7911 5.2264 5.2264 7.3643 7.3643 7.5670 7.5670 8.1585 8.1585 8.5392 8.5392 9.3381 9.3381 k = 0.3167-0.0000-0.0000 ( 19367 PWs) bands (ev): -14.8022 -14.8022 -14.7434 -14.7434 -5.5704 -5.5704 -4.5834 -4.5834 -3.6815 -3.6815 -3.4850 -3.4850 -2.3744 -2.3744 -2.2016 -2.2016 -2.1307 -2.1307 -1.9869 -1.9869 0.0556 0.0556 0.4693 0.4693 0.8528 0.8528 1.1987 1.1987 1.4286 1.4286 2.2075 2.2075 2.3981 2.3981 2.7043 2.7043 2.8252 2.8252 3.0692 3.0692 3.3365 3.3365 3.5524 3.5524 4.0244 4.0244 4.1844 4.1844 4.7806 4.7806 5.2016 5.2016 7.4175 7.4175 7.6031 7.6031 8.2014 8.2014 8.5695 8.5695 9.2765 9.2765 k = 0.3333-0.0000-0.0000 ( 19370 PWs) bands (ev): -14.8019 -14.8019 -14.7432 -14.7432 -5.5737 -5.5737 -4.5816 -4.5816 -3.6801 -3.6801 -3.4845 -3.4845 -2.3688 -2.3688 -2.2026 -2.2026 -2.1332 -2.1332 -1.9876 -1.9876 0.0541 0.0541 0.4629 0.4629 0.8533 0.8533 1.2010 1.2010 1.4294 1.4294 2.2055 2.2055 2.3999 2.3999 2.7054 2.7054 2.8211 2.8211 3.0719 3.0719 3.3371 3.3371 3.5259 3.5259 4.0067 4.0067 4.1713 4.1713 4.7705 4.7705 5.1787 5.1787 7.4690 7.4690 7.6411 7.6411 8.2454 8.2454 8.5969 8.5969 9.2062 9.2062 k = 0.3500-0.0000-0.0000 ( 19370 PWs) bands (ev): -14.8016 -14.8016 -14.7430 -14.7430 -5.5768 -5.5768 -4.5800 -4.5800 -3.6787 -3.6787 -3.4840 -3.4840 -2.3635 -2.3635 -2.2034 -2.2034 -2.1356 -2.1356 -1.9883 -1.9883 0.0526 0.0526 0.4569 0.4569 0.8536 0.8536 1.2033 1.2033 1.4301 1.4301 2.2035 2.2035 2.4021 2.4021 2.7064 2.7064 2.8175 2.8175 3.0748 3.0748 3.3375 3.3375 3.4991 3.4991 3.9908 3.9908 4.1597 4.1597 4.7610 4.7610 5.1579 5.1579 7.5184 7.5184 7.6806 7.6806 8.2899 8.2899 8.6210 8.6210 9.1314 9.1314 k = 0.3667-0.0000-0.0000 ( 19376 PWs) bands (ev): -14.8012 -14.8012 -14.7428 -14.7428 -5.5797 -5.5797 -4.5784 -4.5784 -3.6775 -3.6775 -3.4836 -3.4836 -2.3585 -2.3585 -2.2042 -2.2042 -2.1378 -2.1378 -1.9889 -1.9889 0.0511 0.0511 0.4512 0.4512 0.8538 0.8538 1.2055 1.2055 1.4308 1.4308 2.2017 2.2017 2.4047 2.4047 2.7074 2.7074 2.8142 2.8142 3.0781 3.0781 3.3375 3.3375 3.4728 3.4728 3.9767 3.9767 4.1494 4.1494 4.7523 4.7523 5.1392 5.1392 7.5650 7.5650 7.7211 7.7211 8.3344 8.3344 8.6411 8.6411 9.0554 9.0554 k = 0.3833-0.0000-0.0000 ( 19360 PWs) bands (ev): -14.8010 -14.8010 -14.7427 -14.7427 -5.5823 -5.5823 -4.5770 -4.5770 -3.6764 -3.6764 -3.4832 -3.4832 -2.3540 -2.3540 -2.2048 -2.2048 -2.1399 -2.1399 -1.9895 -1.9895 0.0497 0.0497 0.4460 0.4460 0.8539 0.8539 1.2076 1.2076 1.4315 1.4315 2.2000 2.2000 2.4076 2.4076 2.7084 2.7084 2.8113 2.8113 3.0816 3.0816 3.3370 3.3370 3.4478 3.4478 3.9645 3.9645 4.1403 4.1403 4.7443 4.7443 5.1227 5.1227 7.6085 7.6085 7.7620 7.7620 8.3786 8.3786 8.6569 8.6569 8.9805 8.9805 k = 0.4000-0.0000-0.0000 ( 19352 PWs) bands (ev): -14.8007 -14.8007 -14.7426 -14.7426 -5.5846 -5.5846 -4.5757 -4.5757 -3.6753 -3.6753 -3.4829 -3.4829 -2.3499 -2.3499 -2.2054 -2.2054 -2.1417 -2.1417 -1.9901 -1.9901 0.0484 0.0484 0.4413 0.4413 0.8539 0.8539 1.2096 1.2096 1.4321 1.4321 2.1984 2.1984 2.4105 2.4105 2.7093 2.7093 2.8088 2.8088 3.0853 3.0853 3.3355 3.3355 3.4251 3.4251 3.9541 3.9541 4.1324 4.1324 4.7372 4.7372 5.1084 5.1084 7.6481 7.6481 7.8025 7.8025 8.4217 8.4217 8.6679 8.6679 8.9085 8.9085 k = 0.4167-0.0000-0.0000 ( 19362 PWs) bands (ev): -14.8005 -14.8005 -14.7425 -14.7425 -5.5867 -5.5867 -4.5746 -4.5746 -3.6745 -3.6745 -3.4826 -3.4826 -2.3463 -2.3463 -2.2058 -2.2058 -2.1433 -2.1433 -1.9906 -1.9906 0.0472 0.0472 0.4372 0.4372 0.8539 0.8539 1.2114 1.2114 1.4326 1.4326 2.1971 2.1971 2.4134 2.4134 2.7100 2.7100 2.8067 2.8067 3.0892 3.0892 3.3326 3.3326 3.4058 3.4058 3.9454 3.9454 4.1257 4.1257 4.7311 4.7311 5.0963 5.0963 7.6833 7.6833 7.8417 7.8417 8.4632 8.4632 8.6737 8.6737 8.8413 8.8413 k = 0.4333-0.0000-0.0000 ( 19384 PWs) bands (ev): -14.8003 -14.8003 -14.7424 -14.7424 -5.5883 -5.5883 -4.5737 -4.5737 -3.6737 -3.6737 -3.4823 -3.4823 -2.3434 -2.3434 -2.2061 -2.2061 -2.1447 -2.1447 -1.9910 -1.9910 0.0462 0.0462 0.4337 0.4337 0.8538 0.8538 1.2129 1.2129 1.4331 1.4331 2.1960 2.1960 2.4160 2.4160 2.7107 2.7107 2.8051 2.8051 3.0929 3.0929 3.3278 3.3278 3.3911 3.3911 3.9384 3.9384 4.1202 4.1202 4.7260 4.7260 5.0864 5.0864 7.7133 7.7133 7.8784 7.8784 8.5026 8.5026 8.6742 8.6742 8.7807 8.7807 k = 0.4500-0.0000-0.0000 ( 19404 PWs) bands (ev): -14.8002 -14.8002 -14.7423 -14.7423 -5.5897 -5.5897 -4.5730 -4.5730 -3.6731 -3.6731 -3.4821 -3.4821 -2.3410 -2.3410 -2.2064 -2.2064 -2.1457 -2.1457 -1.9913 -1.9913 0.0454 0.0454 0.4310 0.4310 0.8538 0.8538 1.2141 1.2141 1.4334 1.4334 2.1951 2.1951 2.4183 2.4183 2.7112 2.7112 2.8038 2.8038 3.0964 3.0964 3.3215 3.3215 3.3812 3.3812 3.9329 3.9329 4.1159 4.1159 4.7220 4.7220 5.0787 5.0787 7.7375 7.7375 7.9109 7.9109 8.5393 8.5393 8.6692 8.6692 8.7292 8.7292 k = 0.4667-0.0000-0.0000 ( 19384 PWs) bands (ev): -14.8001 -14.8001 -14.7422 -14.7422 -5.5906 -5.5906 -4.5724 -4.5724 -3.6727 -3.6727 -3.4819 -3.4819 -2.3393 -2.3393 -2.2066 -2.2066 -2.1465 -2.1465 -1.9915 -1.9915 0.0448 0.0448 0.4290 0.4290 0.8537 0.8537 1.2150 1.2150 1.4337 1.4337 2.1945 2.1945 2.4200 2.4200 2.7116 2.7116 2.8029 2.8029 3.0992 3.0992 3.3150 3.3150 3.3755 3.3755 3.9291 3.9291 4.1129 4.1129 4.7191 4.7191 5.0732 5.0732 7.7552 7.7552 7.9369 7.9369 8.5728 8.5728 8.6590 8.6590 8.6888 8.6888 k = 0.4833-0.0000-0.0000 ( 19366 PWs) bands (ev): -14.8000 -14.8000 -14.7422 -14.7422 -5.5912 -5.5912 -4.5721 -4.5721 -3.6725 -3.6725 -3.4819 -3.4819 -2.3382 -2.3382 -2.2067 -2.2067 -2.1470 -2.1470 -1.9917 -1.9917 0.0444 0.0444 0.4278 0.4278 0.8537 0.8537 1.2155 1.2155 1.4339 1.4339 2.1941 2.1941 2.4211 2.4211 2.7118 2.7118 2.8024 2.8024 3.1011 3.1011 3.3102 3.3102 3.3727 3.3727 3.9268 3.9268 4.1110 4.1110 4.7173 4.7173 5.0699 5.0699 7.7660 7.7660 7.9541 7.9541 8.6026 8.6026 8.6461 8.6461 8.6602 8.6602 k = 0.5000-0.0000-0.0000 ( 19348 PWs) bands (ev): -14.8000 -14.8000 -14.7422 -14.7422 -5.5914 -5.5914 -4.5720 -4.5720 -3.6724 -3.6724 -3.4818 -3.4818 -2.3379 -2.3379 -2.2067 -2.2067 -2.1472 -2.1472 -1.9917 -1.9917 0.0443 0.0443 0.4274 0.4274 0.8537 0.8537 1.2157 1.2157 1.4339 1.4339 2.1940 2.1940 2.4215 2.4215 2.7119 2.7119 2.8022 2.8022 3.1017 3.1017 3.3085 3.3085 3.3718 3.3718 3.9261 3.9261 4.1104 4.1104 4.7167 4.7167 5.0688 5.0688 7.7696 7.7696 7.9601 7.9601 8.6249 8.6249 8.6323 8.6323 8.6477 8.6477 k = 0.5000-0.0000-0.0000 ( 19348 PWs) bands (ev): -14.8000 -14.8000 -14.7422 -14.7422 -5.5914 -5.5914 -4.5720 -4.5720 -3.6724 -3.6724 -3.4818 -3.4818 -2.3379 -2.3379 -2.2067 -2.2067 -2.1472 -2.1472 -1.9917 -1.9917 0.0443 0.0443 0.4274 0.4274 0.8537 0.8537 1.2157 1.2157 1.4339 1.4339 2.1940 2.1940 2.4215 2.4215 2.7119 2.7119 2.8022 2.8022 3.1017 3.1017 3.3085 3.3085 3.3718 3.3718 3.9261 3.9261 4.1104 4.1104 4.7167 4.7167 5.0688 5.0688 7.7696 7.7696 7.9601 7.9601 8.6249 8.6249 8.6323 8.6323 8.6477 8.6477 k = 0.5000 0.0165-0.0000 ( 19376 PWs) bands (ev): -14.7999 -14.7999 -14.7422 -14.7422 -5.5905 -5.5905 -4.5729 -4.5729 -3.6724 -3.6724 -3.4821 -3.4821 -2.3379 -2.3379 -2.2073 -2.2073 -2.1472 -2.1472 -1.9920 -1.9920 0.0457 0.0457 0.4292 0.4292 0.8541 0.8541 1.2161 1.2161 1.4339 1.4339 2.1936 2.1936 2.4213 2.4213 2.7113 2.7113 2.8000 2.8000 3.1007 3.1007 3.3034 3.3034 3.3796 3.3796 3.9258 3.9258 4.1089 4.1089 4.7142 4.7142 5.0683 5.0683 7.7598 7.7598 7.9801 7.9801 8.6249 8.6249 8.6350 8.6350 8.6484 8.6484 k = 0.5000 0.0330-0.0000 ( 19382 PWs) bands (ev): -14.7998 -14.7998 -14.7424 -14.7424 -5.5880 -5.5880 -4.5757 -4.5757 -3.6725 -3.6725 -3.4830 -3.4830 -2.3377 -2.3377 -2.2090 -2.2090 -2.1472 -2.1472 -1.9928 -1.9928 0.0499 0.0499 0.4346 0.4346 0.8554 0.8554 1.2172 1.2172 1.4338 1.4338 2.1926 2.1926 2.4207 2.4207 2.7095 2.7095 2.7937 2.7937 3.0976 3.0976 3.2924 3.2924 3.3984 3.3984 3.9248 3.9248 4.1046 4.1046 4.7065 4.7065 5.0668 5.0668 7.7395 7.7395 8.0306 8.0306 8.6256 8.6256 8.6416 8.6416 8.6515 8.6515 k = 0.5000 0.0495-0.0000 ( 19382 PWs) bands (ev): -14.7995 -14.7995 -14.7427 -14.7427 -5.5837 -5.5837 -4.5802 -4.5802 -3.6727 -3.6727 -3.4845 -3.4845 -2.3375 -2.3375 -2.2117 -2.2117 -2.1473 -2.1473 -1.9942 -1.9942 0.0569 0.0569 0.4436 0.4436 0.8575 0.8575 1.2190 1.2190 1.4337 1.4337 2.1908 2.1908 2.4197 2.4197 2.7061 2.7061 2.7836 2.7836 3.0928 3.0928 3.2802 3.2802 3.4231 3.4231 3.9225 3.9225 4.0979 4.0979 4.6938 4.6938 5.0644 5.0644 7.7209 7.7209 8.0989 8.0989 8.6273 8.6273 8.6485 8.6485 8.6605 8.6605 k = 0.5000 0.0660-0.0000 ( 19398 PWs) bands (ev): -14.7991 -14.7991 -14.7430 -14.7430 -5.5777 -5.5777 -4.5866 -4.5866 -3.6730 -3.6730 -3.4866 -3.4866 -2.3372 -2.3372 -2.2154 -2.2154 -2.1474 -2.1474 -1.9961 -1.9961 0.0667 0.0667 0.4560 0.4560 0.8604 0.8604 1.2215 1.2215 1.4334 1.4334 2.1884 2.1884 2.4183 2.4183 2.7001 2.7001 2.7711 2.7711 3.0868 3.0868 3.2685 3.2685 3.4516 3.4516 3.9180 3.9180 4.0898 4.0898 4.6767 4.6767 5.0615 5.0615 7.7092 7.7092 8.1779 8.1779 8.6300 8.6300 8.6540 8.6540 8.6777 8.6777 k = 0.5000 0.0825-0.0000 ( 19402 PWs) bands (ev): -14.7986 -14.7986 -14.7435 -14.7435 -5.5701 -5.5701 -4.5948 -4.5948 -3.6732 -3.6732 -3.4893 -3.4893 -2.3368 -2.3368 -2.2200 -2.2200 -2.1475 -2.1475 -1.9986 -1.9986 0.0792 0.0792 0.4717 0.4717 0.8642 0.8642 1.2248 1.2248 1.4331 1.4331 2.1852 2.1852 2.4163 2.4163 2.6903 2.6903 2.7578 2.7578 3.0801 3.0801 3.2575 3.2575 3.4831 3.4831 3.9097 3.9097 4.0818 4.0818 4.6554 4.6554 5.0582 5.0582 7.7066 7.7066 8.2634 8.2634 8.6334 8.6334 8.6607 8.6607 8.7016 8.7016 k = 0.5000 0.0990-0.0000 ( 19372 PWs) bands (ev): -14.7980 -14.7980 -14.7440 -14.7440 -5.5608 -5.5608 -4.6048 -4.6048 -3.6734 -3.6734 -3.4925 -3.4925 -2.3363 -2.3363 -2.2253 -2.2253 -2.1476 -2.1476 -2.0015 -2.0015 0.0943 0.0943 0.4905 0.4905 0.8686 0.8686 1.2287 1.2287 1.4327 1.4327 2.1813 2.1813 2.4137 2.4137 2.6748 2.6748 2.7463 2.7463 3.0731 3.0731 3.2472 3.2472 3.5167 3.5167 3.8961 3.8961 4.0756 4.0756 4.6309 4.6309 5.0548 5.0548 7.7137 7.7137 8.3514 8.3514 8.6375 8.6375 8.6703 8.6703 8.7325 8.7325 k = 0.5000 0.1155-0.0000 ( 19376 PWs) bands (ev): -14.7974 -14.7974 -14.7446 -14.7446 -5.5499 -5.5499 -4.6166 -4.6166 -3.6736 -3.6736 -3.4962 -3.4962 -2.3357 -2.3357 -2.2312 -2.2312 -2.1478 -2.1478 -2.0050 -2.0050 0.1119 0.1119 0.5120 0.5120 0.8738 0.8738 1.2333 1.2333 1.4322 1.4322 2.1765 2.1765 2.4101 2.4101 2.6529 2.6529 2.7376 2.7376 3.0661 3.0661 3.2375 3.2375 3.5520 3.5520 3.8759 3.8759 4.0728 4.0728 4.6038 4.6038 5.0513 5.0513 7.7304 7.7304 8.4361 8.4361 8.6422 8.6422 8.6851 8.6851 8.7722 8.7722 k = 0.5000 0.1319-0.0000 ( 19378 PWs) bands (ev): -14.7966 -14.7966 -14.7454 -14.7454 -5.5374 -5.5374 -4.6302 -4.6302 -3.6736 -3.6736 -3.5004 -3.5004 -2.3351 -2.3351 -2.2376 -2.2376 -2.1480 -2.1480 -2.0090 -2.0090 0.1321 0.1321 0.5361 0.5361 0.8796 0.8796 1.2385 1.2385 1.4316 1.4316 2.1709 2.1709 2.4054 2.4054 2.6259 2.6259 2.7317 2.7317 3.0596 3.0596 3.2281 3.2281 3.5881 3.5881 3.8487 3.8487 4.0741 4.0741 4.5750 4.5750 5.0476 5.0476 7.7564 7.7564 8.5092 8.5092 8.6473 8.6473 8.7085 8.7085 8.8236 8.8236 k = 0.5000 0.1484-0.0000 ( 19384 PWs) bands (ev): -14.7957 -14.7957 -14.7462 -14.7462 -5.5233 -5.5233 -4.6455 -4.6455 -3.6735 -3.6735 -3.5051 -3.5051 -2.3344 -2.3344 -2.2443 -2.2443 -2.1482 -2.1482 -2.0134 -2.0134 0.1545 0.1545 0.5623 0.5623 0.8861 0.8861 1.2443 1.2443 1.4308 1.4308 2.1642 2.1642 2.3991 2.3991 2.5958 2.5958 2.7277 2.7277 3.0537 3.0537 3.2189 3.2189 3.6236 3.6236 3.8161 3.8161 4.0798 4.0798 4.5452 4.5452 5.0435 5.0435 7.7913 7.7913 8.5625 8.5625 8.6529 8.6529 8.7439 8.7439 8.8904 8.8904 k = 0.5000 0.1649-0.0000 ( 19388 PWs) bands (ev): -14.7947 -14.7947 -14.7471 -14.7471 -5.5076 -5.5076 -4.6625 -4.6625 -3.6731 -3.6731 -3.5103 -3.5103 -2.3336 -2.3336 -2.2512 -2.2512 -2.1483 -2.1483 -2.0182 -2.0182 0.1792 0.1792 0.5903 0.5903 0.8933 0.8933 1.2507 1.2507 1.4298 1.4298 2.1561 2.1561 2.3906 2.3906 2.5646 2.5646 2.7250 2.7250 3.0485 3.0485 3.2099 3.2099 3.6546 3.6546 3.7823 3.7823 4.0896 4.0896 4.5152 4.5152 5.0390 5.0390 7.8343 7.8343 8.5955 8.5955 8.6590 8.6590 8.7889 8.7889 8.9734 8.9734 k = 0.5000 0.1814-0.0000 ( 19366 PWs) bands (ev): -14.7936 -14.7936 -14.7481 -14.7481 -5.4905 -5.4905 -4.6812 -4.6812 -3.6726 -3.6726 -3.5158 -3.5158 -2.3328 -2.3328 -2.2581 -2.2581 -2.1484 -2.1484 -2.0235 -2.0235 0.2060 0.2060 0.6194 0.6194 0.9013 0.9013 1.2577 1.2577 1.4286 1.4286 2.1460 2.1460 2.3792 2.3792 2.5344 2.5344 2.7234 2.7234 3.0443 3.0443 3.2010 3.2010 3.6665 3.6665 3.7624 3.7624 4.1032 4.1032 4.4855 4.4855 5.0335 5.0335 7.8847 7.8847 8.6153 8.6153 8.6657 8.6657 8.8383 8.8383 9.0689 9.0689 k = 0.5000 0.1979-0.0000 ( 19370 PWs) bands (ev): -14.7925 -14.7925 -14.7492 -14.7492 -5.4719 -5.4719 -4.7015 -4.7015 -3.6717 -3.6717 -3.5217 -3.5217 -2.3320 -2.3320 -2.2650 -2.2650 -2.1483 -2.1483 -2.0290 -2.0290 0.2347 0.2347 0.6491 0.6491 0.9103 0.9103 1.2653 1.2653 1.4270 1.4270 2.1330 2.1330 2.3643 2.3643 2.5075 2.5075 2.7228 2.7228 3.0409 3.0409 3.1920 3.1920 3.6407 3.6407 3.7755 3.7755 4.1205 4.1205 4.4563 4.4563 5.0270 5.0270 7.9418 7.9418 8.6283 8.6283 8.6731 8.6731 8.8895 8.8895 9.1711 9.1711 k = 0.5000 0.2144-0.0000 ( 19372 PWs) bands (ev): -14.7913 -14.7913 -14.7504 -14.7504 -5.4519 -5.4519 -4.7233 -4.7233 -3.6705 -3.6705 -3.5279 -3.5279 -2.3311 -2.3311 -2.2716 -2.2716 -2.1482 -2.1482 -2.0349 -2.0349 0.2652 0.2652 0.6785 0.6785 0.9207 0.9207 1.2735 1.2735 1.4250 1.4250 2.1160 2.1160 2.3465 2.3465 2.4850 2.4850 2.7234 2.7234 3.0386 3.0386 3.1831 3.1831 3.5940 3.5940 3.8051 3.8051 4.1417 4.1417 4.4282 4.4282 5.0191 5.0191 8.0049 8.0049 8.6375 8.6375 8.6813 8.6813 8.9421 8.9421 9.2750 9.2750 k = 0.5000 0.2309-0.0000 ( 19380 PWs) bands (ev): -14.7900 -14.7900 -14.7516 -14.7516 -5.4306 -5.4306 -4.7465 -4.7465 -3.6690 -3.6690 -3.5345 -3.5345 -2.3303 -2.3303 -2.2780 -2.2780 -2.1478 -2.1478 -2.0410 -2.0410 0.2971 0.2971 0.7065 0.7065 0.9331 0.9331 1.2824 1.2824 1.4225 1.4225 2.0935 2.0935 2.3275 2.3275 2.4671 2.4671 2.7253 2.7253 3.0372 3.0372 3.1740 3.1740 3.5403 3.5403 3.8378 3.8378 4.1667 4.1667 4.4011 4.4011 5.0094 5.0094 8.0729 8.0729 8.6445 8.6445 8.6905 8.6905 8.9962 8.9962 9.3767 9.3767 k = 0.5000 0.2474-0.0000 ( 19372 PWs) bands (ev): -14.7886 -14.7886 -14.7529 -14.7529 -5.4079 -5.4079 -4.7711 -4.7711 -3.6670 -3.6670 -3.5412 -3.5412 -2.3294 -2.3294 -2.2841 -2.2841 -2.1472 -2.1472 -2.0474 -2.0474 0.3303 0.3303 0.7318 0.7318 0.9485 0.9485 1.2920 1.2920 1.4194 1.4194 2.0644 2.0644 2.3101 2.3101 2.4528 2.4528 2.7287 2.7287 3.0368 3.0368 3.1648 3.1648 3.4838 3.4838 3.8699 3.8699 4.1954 4.1954 4.3756 4.3756 4.9978 4.9978 8.1449 8.1449 8.6499 8.6499 8.7012 8.7012 9.0517 9.0517 9.4730 9.4730 k = 0.5000 0.2639-0.0000 ( 19362 PWs) bands (ev): -14.7871 -14.7871 -14.7543 -14.7543 -5.3841 -5.3841 -4.7969 -4.7969 -3.6647 -3.6647 -3.5482 -3.5482 -2.3286 -2.3286 -2.2897 -2.2897 -2.1464 -2.1464 -2.0539 -2.0539 0.3646 0.3646 0.7529 0.7529 0.9677 0.9677 1.3024 1.3024 1.4155 1.4155 2.0281 2.0281 2.2964 2.2964 2.4408 2.4408 2.7336 2.7336 3.0374 3.0374 3.1555 3.1555 3.4262 3.4262 3.9000 3.9000 4.2268 4.2268 4.3526 4.3526 4.9838 4.9838 8.2197 8.2197 8.6541 8.6541 8.7138 8.7138 9.1085 9.1085 9.5607 9.5607 k = 0.5000 0.2804-0.0000 ( 19366 PWs) bands (ev): -14.7856 -14.7856 -14.7557 -14.7557 -5.3591 -5.3591 -4.8239 -4.8239 -3.6619 -3.6619 -3.5553 -3.5553 -2.3278 -2.3278 -2.2949 -2.2949 -2.1452 -2.1452 -2.0604 -2.0604 0.3996 0.3996 0.7687 0.7687 0.9915 0.9915 1.3137 1.3137 1.4108 1.4108 1.9855 1.9855 2.2873 2.2873 2.4302 2.4302 2.7405 2.7405 3.0388 3.0388 3.1458 3.1458 3.3688 3.3688 3.9277 3.9277 4.2567 4.2567 4.3357 4.3357 4.9674 4.9674 8.2955 8.2955 8.6573 8.6573 8.7296 8.7296 9.1663 9.1663 9.6366 9.6366 k = 0.5000 0.2969-0.0000 ( 19346 PWs) bands (ev): -14.7841 -14.7841 -14.7572 -14.7572 -5.3331 -5.3331 -4.8519 -4.8519 -3.6587 -3.6587 -3.5625 -3.5625 -2.3271 -2.3271 -2.2996 -2.2996 -2.1437 -2.1437 -2.0671 -2.0671 0.4349 0.4349 0.7786 0.7786 1.0201 1.0201 1.3260 1.3260 1.4051 1.4051 1.9377 1.9377 2.2826 2.2826 2.4201 2.4201 2.7495 2.7495 3.0411 3.0411 3.1357 3.1357 3.3127 3.3127 3.9533 3.9533 4.2699 4.2699 4.3396 4.3396 4.9482 4.9482 8.3699 8.3699 8.6595 8.6595 8.7504 8.7504 9.2245 9.2245 9.6956 9.6956 k = 0.5000 0.3134-0.0000 ( 19338 PWs) bands (ev): -14.7825 -14.7825 -14.7588 -14.7588 -5.3060 -5.3060 -4.8808 -4.8808 -3.6551 -3.6551 -3.5697 -3.5697 -2.3265 -2.3265 -2.3038 -2.3038 -2.1418 -2.1418 -2.0737 -2.0737 0.4704 0.4704 0.7827 0.7827 1.0526 1.0526 1.3394 1.3394 1.3986 1.3986 1.8863 1.8863 2.2816 2.2816 2.4103 2.4103 2.7607 2.7607 3.0442 3.0442 3.1246 3.1246 3.2589 3.2589 3.9769 3.9769 4.2590 4.2590 4.3712 4.3712 4.9261 4.9261 8.4393 8.4393 8.6608 8.6608 8.7793 8.7793 9.2823 9.2823 9.7250 9.7250 k = 0.5000 0.3299-0.0000 ( 19338 PWs) bands (ev): -14.7809 -14.7809 -14.7604 -14.7604 -5.2781 -5.2781 -4.9104 -4.9104 -3.6510 -3.6510 -3.5770 -3.5770 -2.3258 -2.3258 -2.3076 -2.3076 -2.1394 -2.1394 -2.0803 -2.0803 0.5056 0.5056 0.7816 0.7816 1.0882 1.0882 1.3537 1.3537 1.3915 1.3915 1.8326 1.8326 2.2838 2.2838 2.4003 2.4003 2.7745 2.7745 3.0481 3.0481 3.1114 3.1114 3.2092 3.2092 3.9989 3.9989 4.2401 4.2401 4.4134 4.4134 4.9011 4.9011 8.4995 8.4995 8.6612 8.6612 8.8203 8.8203 9.3387 9.3387 9.7245 9.7245 k = 0.5000 0.3464-0.0000 ( 19352 PWs) bands (ev): -14.7792 -14.7792 -14.7620 -14.7620 -5.2493 -5.2493 -4.9407 -4.9407 -3.6466 -3.6466 -3.5843 -3.5843 -2.3252 -2.3252 -2.3108 -2.3108 -2.1367 -2.1367 -2.0868 -2.0868 0.5402 0.5402 0.7758 0.7758 1.1255 1.1255 1.3653 1.3653 1.3877 1.3877 1.7779 1.7779 2.2886 2.2886 2.3900 2.3900 2.7911 2.7911 3.0528 3.0528 3.0932 3.0932 3.1668 3.1668 4.0198 4.0198 4.2195 4.2195 4.4590 4.4590 4.8730 4.8730 8.5467 8.5467 8.6606 8.6606 8.8763 8.8763 9.3915 9.3915 9.7192 9.7192 k = 0.5000 0.3629-0.0000 ( 19336 PWs) bands (ev): -14.7775 -14.7775 -14.7637 -14.7637 -5.2198 -5.2198 -4.9714 -4.9714 -3.6417 -3.6417 -3.5915 -3.5915 -2.3245 -2.3245 -2.3136 -2.3136 -2.1334 -2.1334 -2.0932 -2.0932 0.5737 0.5737 0.7658 0.7658 1.1633 1.1633 1.3621 1.3621 1.3997 1.3997 1.7231 1.7231 2.2954 2.2954 2.3794 2.3794 2.8105 2.8105 3.0580 3.0580 3.0659 3.0659 3.1366 3.1366 4.0400 4.0400 4.1987 4.1987 4.5059 4.5059 4.8418 4.8418 8.5808 8.5808 8.6591 8.6591 8.9472 8.9472 9.4367 9.4367 9.7152 9.7152 k = 0.5000 0.3794-0.0000 ( 19326 PWs) bands (ev): -14.7758 -14.7758 -14.7653 -14.7653 -5.1897 -5.1897 -5.0026 -5.0026 -3.6364 -3.6364 -3.5985 -3.5985 -2.3238 -2.3238 -2.3160 -2.3160 -2.1297 -2.1297 -2.0993 -2.0993 0.6059 0.6059 0.7520 0.7520 1.2000 1.2000 1.3500 1.3500 1.4222 1.4222 1.6693 1.6693 2.3037 2.3037 2.3684 2.3684 2.8330 2.8330 3.0300 3.0300 3.0641 3.0641 3.1178 3.1178 4.0596 4.0596 4.1780 4.1780 4.5531 4.5531 4.8077 4.8077 8.6044 8.6044 8.6566 8.6566 9.0297 9.0297 9.4636 9.4636 9.7068 9.7068 k = 0.5000 0.3958-0.0000 ( 19322 PWs) bands (ev): -14.7740 -14.7740 -14.7671 -14.7671 -5.1591 -5.1591 -5.0339 -5.0339 -3.6308 -3.6308 -3.6055 -3.6055 -2.3230 -2.3230 -2.3180 -2.3180 -2.1256 -2.1256 -2.1052 -2.1052 0.6364 0.6364 0.7347 0.7347 1.2345 1.2345 1.3343 1.3343 1.4506 1.4506 1.6175 1.6175 2.3133 2.3133 2.3573 2.3573 2.8586 2.8586 2.9917 2.9917 3.0706 3.0706 3.1049 3.1049 4.0790 4.0790 4.1577 4.1577 4.5998 4.5998 4.7708 4.7708 8.6209 8.6209 8.6530 8.6530 9.1197 9.1197 9.4511 9.4511 9.6942 9.6942 k = 0.5000 0.4123-0.0000 ( 19318 PWs) bands (ev): -14.7723 -14.7723 -14.7688 -14.7688 -5.1281 -5.1281 -5.0654 -5.0654 -3.6249 -3.6249 -3.6122 -3.6122 -2.3221 -2.3221 -2.3196 -2.3196 -2.1211 -2.1211 -2.1108 -2.1108 0.6648 0.6648 0.7142 0.7142 1.2655 1.2655 1.3151 1.3151 1.4846 1.4846 1.5688 1.5688 2.3237 2.3237 2.3460 2.3460 2.8875 2.8875 2.9544 2.9544 3.0779 3.0779 3.0947 3.0947 4.0984 4.0984 4.1377 4.1377 4.6453 4.6453 4.7312 4.7312 8.6328 8.6328 8.6481 8.6481 9.2134 9.2134 9.3913 9.3913 9.7048 9.7048 k = 0.5000 0.4288-0.0000 ( 19300 PWs) bands (ev): -14.7705 -14.7705 -14.7705 -14.7705 -5.0968 -5.0968 -5.0968 -5.0968 -3.6187 -3.6187 -3.6187 -3.6187 -2.3210 -2.3210 -2.3210 -2.3210 -2.1161 -2.1161 -2.1161 -2.1161 0.6908 0.6908 0.6908 0.6908 1.2923 1.2923 1.2923 1.2923 1.5242 1.5242 1.5242 1.5242 2.3347 2.3347 2.3347 2.3347 2.9195 2.9195 2.9195 2.9195 3.0858 3.0858 3.0858 3.0858 4.1179 4.1179 4.1179 4.1179 4.6893 4.6893 4.6893 4.6893 8.6415 8.6415 8.6415 8.6415 9.3064 9.3064 9.3064 9.3064 9.7324 9.7324 k = 0.5000 0.4288-0.0000 ( 19300 PWs) bands (ev): -14.7705 -14.7705 -14.7705 -14.7705 -5.0968 -5.0968 -5.0968 -5.0968 -3.6187 -3.6187 -3.6187 -3.6187 -2.3210 -2.3210 -2.3210 -2.3210 -2.1161 -2.1161 -2.1161 -2.1161 0.6908 0.6908 0.6908 0.6908 1.2923 1.2923 1.2923 1.2923 1.5242 1.5242 1.5242 1.5242 2.3347 2.3347 2.3347 2.3347 2.9195 2.9195 2.9195 2.9195 3.0858 3.0858 3.0858 3.0858 4.1179 4.1179 4.1179 4.1179 4.6893 4.6893 4.6893 4.6893 8.6415 8.6415 8.6415 8.6415 9.3064 9.3064 9.3064 9.3064 9.7324 9.7324 k = 0.4833 0.4288-0.0000 ( 19294 PWs) bands (ev): -14.7706 -14.7706 -14.7706 -14.7706 -5.0973 -5.0973 -5.0967 -5.0967 -3.6199 -3.6199 -3.6171 -3.6171 -2.3222 -2.3222 -2.3190 -2.3190 -2.1164 -2.1164 -2.1157 -2.1157 0.6908 0.6908 0.6909 0.6909 1.2902 1.2902 1.2943 1.2943 1.5234 1.5234 1.5252 1.5252 2.3325 2.3325 2.3367 2.3367 2.9161 2.9161 2.9225 2.9225 3.0848 3.0848 3.0866 3.0866 4.1164 4.1164 4.1179 4.1179 4.6865 4.6865 4.6935 4.6935 8.6401 8.6401 8.6442 8.6442 9.3044 9.3044 9.3068 9.3068 9.7186 9.7186 k = 0.4667 0.4288-0.0000 ( 19308 PWs) bands (ev): -14.7706 -14.7706 -14.7706 -14.7706 -5.0981 -5.0981 -5.0970 -5.0970 -3.6208 -3.6208 -3.6151 -3.6151 -2.3228 -2.3228 -2.3164 -2.3164 -2.1166 -2.1166 -2.1152 -2.1152 0.6909 0.6909 0.6910 0.6910 1.2880 1.2880 1.2960 1.2960 1.5228 1.5228 1.5264 1.5264 2.3300 2.3300 2.3385 2.3385 2.9124 2.9124 2.9252 2.9252 3.0835 3.0835 3.0872 3.0872 4.1132 4.1132 4.1163 4.1163 4.6853 4.6853 4.6992 4.6992 8.6400 8.6400 8.6482 8.6482 9.3009 9.3009 9.3052 9.3052 9.7069 9.7069 k = 0.4500 0.4288-0.0000 ( 19320 PWs) bands (ev): -14.7707 -14.7707 -14.7707 -14.7707 -5.0992 -5.0992 -5.0976 -5.0976 -3.6212 -3.6212 -3.6129 -3.6129 -2.3226 -2.3226 -2.3130 -2.3130 -2.1165 -2.1165 -2.1145 -2.1145 0.6910 0.6910 0.6912 0.6912 1.2856 1.2856 1.2976 1.2976 1.5224 1.5224 1.5277 1.5277 2.3273 2.3273 2.3400 2.3400 2.9083 2.9083 2.9275 2.9275 3.0819 3.0819 3.0874 3.0874 4.1084 4.1084 4.1133 4.1133 4.6857 4.6857 4.7062 4.7062 8.6415 8.6415 8.6532 8.6532 9.2961 9.2961 9.3014 9.3014 9.6984 9.6984 k = 0.4333 0.4288-0.0000 ( 19322 PWs) bands (ev): -14.7708 -14.7708 -14.7708 -14.7708 -5.1007 -5.1007 -5.0985 -5.0985 -3.6213 -3.6213 -3.6103 -3.6103 -2.3217 -2.3217 -2.3091 -2.3091 -2.1164 -2.1164 -2.1136 -2.1136 0.6912 0.6912 0.6914 0.6914 1.2831 1.2831 1.2989 1.2989 1.5223 1.5223 1.5292 1.5292 2.3245 2.3245 2.3412 2.3412 2.9040 2.9040 2.9293 2.9293 3.0801 3.0801 3.0874 3.0874 4.1022 4.1022 4.1089 4.1089 4.6878 4.6878 4.7144 4.7144 8.6445 8.6445 8.6591 8.6591 9.2900 9.2900 9.2951 9.2951 9.6937 9.6937 k = 0.4167 0.4288-0.0000 ( 19322 PWs) bands (ev): -14.7709 -14.7709 -14.7709 -14.7709 -5.1024 -5.1024 -5.0998 -5.0998 -3.6210 -3.6210 -3.6075 -3.6075 -2.3202 -2.3202 -2.3046 -2.3046 -2.1161 -2.1161 -2.1126 -2.1126 0.6914 0.6914 0.6916 0.6916 1.2805 1.2805 1.3001 1.3001 1.5224 1.5224 1.5309 1.5309 2.3215 2.3215 2.3422 2.3422 2.8994 2.8994 2.9306 2.9306 3.0781 3.0781 3.0870 3.0870 4.0945 4.0945 4.1033 4.1033 4.6915 4.6915 4.7238 4.7238 8.6492 8.6492 8.6659 8.6659 9.2828 9.2828 9.2863 9.2863 9.6933 9.6933 k = 0.4000 0.4288-0.0000 ( 19334 PWs) bands (ev): -14.7711 -14.7711 -14.7710 -14.7710 -5.1045 -5.1045 -5.1014 -5.1014 -3.6202 -3.6202 -3.6044 -3.6044 -2.3180 -2.3180 -2.2995 -2.2995 -2.1156 -2.1156 -2.1114 -2.1114 0.6917 0.6917 0.6920 0.6920 1.2779 1.2779 1.3011 1.3011 1.5227 1.5227 1.5326 1.5326 2.3184 2.3184 2.3428 2.3428 2.8946 2.8946 2.9314 2.9314 3.0759 3.0759 3.0863 3.0863 4.0855 4.0855 4.0966 4.0966 4.6968 4.6968 4.7342 4.7342 8.6557 8.6557 8.6735 8.6735 9.2744 9.2744 9.2747 9.2747 9.6972 9.6972 k = 0.3833 0.4288-0.0000 ( 19348 PWs) bands (ev): -14.7713 -14.7713 -14.7712 -14.7712 -5.1068 -5.1068 -5.1033 -5.1033 -3.6191 -3.6191 -3.6011 -3.6011 -2.3151 -2.3151 -2.2940 -2.2940 -2.1149 -2.1149 -2.1100 -2.1100 0.6920 0.6920 0.6923 0.6923 1.2752 1.2752 1.3018 1.3018 1.5231 1.5231 1.5343 1.5343 2.3152 2.3152 2.3431 2.3431 2.8896 2.8896 2.9317 2.9317 3.0735 3.0735 3.0853 3.0853 4.0755 4.0755 4.0890 4.0890 4.7037 4.7037 4.7456 4.7456 8.6640 8.6640 8.6817 8.6817 9.2605 9.2605 9.2649 9.2649 9.7056 9.7056 k = 0.3667 0.4288-0.0000 ( 19352 PWs) bands (ev): -14.7715 -14.7715 -14.7714 -14.7714 -5.1093 -5.1093 -5.1054 -5.1054 -3.6176 -3.6176 -3.5977 -3.5977 -2.3117 -2.3117 -2.2881 -2.2881 -2.1141 -2.1141 -2.1084 -2.1084 0.6924 0.6924 0.6927 0.6927 1.2726 1.2726 1.3024 1.3024 1.5238 1.5238 1.5361 1.5361 2.3119 2.3119 2.3430 2.3430 2.8845 2.8845 2.9314 2.9314 3.0710 3.0710 3.0840 3.0840 4.0646 4.0646 4.0806 4.0806 4.7122 4.7122 4.7578 4.7578 8.6742 8.6742 8.6904 8.6904 9.2439 9.2439 9.2545 9.2545 9.7182 9.7182 k = 0.3500 0.4288-0.0000 ( 19352 PWs) bands (ev): -14.7717 -14.7717 -14.7716 -14.7716 -5.1120 -5.1120 -5.1078 -5.1078 -3.6158 -3.6158 -3.5942 -3.5942 -2.3078 -2.3078 -2.2819 -2.2819 -2.1130 -2.1130 -2.1067 -2.1067 0.6928 0.6928 0.6931 0.6931 1.2700 1.2700 1.3028 1.3028 1.5245 1.5245 1.5378 1.5378 2.3085 2.3085 2.3426 2.3426 2.8792 2.8792 2.9305 2.9305 3.0682 3.0682 3.0824 3.0824 4.0531 4.0531 4.0716 4.0716 4.7220 4.7220 4.7708 4.7708 8.6863 8.6863 8.6995 8.6995 9.2250 9.2250 9.2434 9.2434 9.7345 9.7345 k = 0.3333 0.4288-0.0000 ( 19364 PWs) bands (ev): -14.7720 -14.7720 -14.7719 -14.7719 -5.1149 -5.1149 -5.1105 -5.1105 -3.6136 -3.6136 -3.5905 -3.5905 -2.3034 -2.3034 -2.2755 -2.2755 -2.1118 -2.1118 -2.1047 -2.1047 0.6933 0.6933 0.6936 0.6936 1.2674 1.2674 1.3029 1.3029 1.5254 1.5254 1.5394 1.5394 2.3051 2.3051 2.3419 2.3419 2.8738 2.8738 2.9290 2.9290 3.0653 3.0653 3.0804 3.0804 4.0411 4.0411 4.0622 4.0622 4.7333 4.7333 4.7844 4.7844 8.7004 8.7004 8.7089 8.7089 9.2043 9.2043 9.2319 9.2319 9.7539 9.7539 k = 0.3167 0.4288-0.0000 ( 19346 PWs) bands (ev): -14.7722 -14.7722 -14.7721 -14.7721 -5.1180 -5.1180 -5.1133 -5.1133 -3.6112 -3.6112 -3.5869 -3.5869 -2.2986 -2.2986 -2.2690 -2.2690 -2.1103 -2.1103 -2.1026 -2.1026 0.6937 0.6937 0.6941 0.6941 1.2650 1.2650 1.3029 1.3029 1.5264 1.5264 1.5409 1.5409 2.3017 2.3017 2.3407 2.3407 2.8683 2.8683 2.9268 2.9268 3.0623 3.0623 3.0782 3.0782 4.0290 4.0290 4.0526 4.0526 4.7457 4.7457 4.7987 4.7987 8.7165 8.7165 8.7184 8.7184 9.1819 9.1819 9.2203 9.2203 9.7752 9.7752 k = 0.3000 0.4288-0.0000 ( 19358 PWs) bands (ev): -14.7725 -14.7725 -14.7724 -14.7724 -5.1211 -5.1211 -5.1163 -5.1163 -3.6084 -3.6084 -3.5832 -3.5832 -2.2934 -2.2934 -2.2624 -2.2624 -2.1085 -2.1085 -2.1003 -2.1003 0.6942 0.6942 0.6946 0.6946 1.2628 1.2628 1.3027 1.3027 1.5274 1.5274 1.5423 1.5423 2.2982 2.2982 2.3392 2.3392 2.8628 2.8628 2.9240 2.9240 3.0592 3.0592 3.0756 3.0756 4.0169 4.0169 4.0427 4.0427 4.7593 4.7593 4.8134 4.8134 8.7277 8.7277 8.7346 8.7346 9.1583 9.1583 9.2092 9.2092 9.7966 9.7966 k = 0.2833 0.4288-0.0000 ( 19358 PWs) bands (ev): -14.7728 -14.7728 -14.7727 -14.7727 -5.1243 -5.1243 -5.1194 -5.1194 -3.6054 -3.6054 -3.5796 -3.5796 -2.2880 -2.2880 -2.2559 -2.2559 -2.1065 -2.1065 -2.0977 -2.0977 0.6948 0.6948 0.6951 0.6951 1.2607 1.2607 1.3024 1.3024 1.5285 1.5285 1.5435 1.5435 2.2949 2.2949 2.3374 2.3374 2.8573 2.8573 2.9206 2.9206 3.0560 3.0560 3.0727 3.0727 4.0051 4.0051 4.0329 4.0329 4.7739 4.7739 4.8285 4.8285 8.7367 8.7367 8.7547 8.7547 9.1338 9.1338 9.1990 9.1990 9.8158 9.8158 k = 0.2667 0.4288-0.0000 ( 19356 PWs) bands (ev): -14.7730 -14.7730 -14.7730 -14.7730 -5.1275 -5.1275 -5.1226 -5.1226 -3.6023 -3.6023 -3.5761 -3.5761 -2.2823 -2.2823 -2.2496 -2.2496 -2.1041 -2.1041 -2.0950 -2.0950 0.6953 0.6953 0.6956 0.6956 1.2588 1.2588 1.3018 1.3018 1.5296 1.5296 1.5445 1.5445 2.2916 2.2916 2.3351 2.3351 2.8519 2.8519 2.9166 2.9166 3.0528 3.0528 3.0696 3.0696 3.9936 3.9936 4.0231 4.0231 4.7893 4.7893 4.8438 4.8438 8.7451 8.7451 8.7768 8.7768 9.1086 9.1086 9.1903 9.1903 9.8298 9.8298 k = 0.2500 0.4288-0.0000 ( 19362 PWs) bands (ev): -14.7733 -14.7733 -14.7733 -14.7733 -5.1307 -5.1307 -5.1258 -5.1258 -3.5989 -3.5989 -3.5727 -3.5727 -2.2766 -2.2766 -2.2435 -2.2435 -2.1015 -2.1015 -2.0922 -2.0922 0.6958 0.6958 0.6961 0.6961 1.2572 1.2572 1.3010 1.3010 1.5307 1.5307 1.5453 1.5453 2.2884 2.2884 2.3326 2.3326 2.8467 2.8467 2.9120 2.9120 3.0495 3.0495 3.0663 3.0663 3.9828 3.9828 4.0136 4.0136 4.8053 4.8053 4.8593 4.8593 8.7525 8.7525 8.8006 8.8006 9.0833 9.0833 9.1836 9.1836 9.8355 9.8355 k = 0.2333 0.4288-0.0000 ( 19342 PWs) bands (ev): -14.7736 -14.7736 -14.7735 -14.7735 -5.1339 -5.1339 -5.1291 -5.1291 -3.5955 -3.5955 -3.5695 -3.5695 -2.2708 -2.2708 -2.2378 -2.2378 -2.0986 -2.0986 -2.0892 -2.0892 0.6964 0.6964 0.6966 0.6966 1.2559 1.2559 1.3001 1.3001 1.5317 1.5317 1.5459 1.5459 2.2854 2.2854 2.3296 2.3296 2.8417 2.8417 2.9068 2.9068 3.0462 3.0462 3.0627 3.0627 3.9727 3.9727 4.0044 4.0044 4.8219 4.8219 4.8748 4.8748 8.7586 8.7586 8.8260 8.8260 9.0582 9.0582 9.1793 9.1793 9.8309 9.8309 k = 0.2167 0.4288-0.0000 ( 19326 PWs) bands (ev): -14.7739 -14.7739 -14.7738 -14.7738 -5.1371 -5.1371 -5.1323 -5.1323 -3.5919 -3.5919 -3.5664 -3.5664 -2.2650 -2.2650 -2.2324 -2.2324 -2.0955 -2.0955 -2.0861 -2.0861 0.6969 0.6969 0.6970 0.6970 1.2548 1.2548 1.2989 1.2989 1.5327 1.5327 1.5463 1.5463 2.2825 2.2825 2.3264 2.3264 2.8369 2.8369 2.9012 2.9012 3.0430 3.0430 3.0591 3.0591 3.9635 3.9635 3.9955 3.9955 4.8389 4.8389 4.8901 4.8901 8.7633 8.7633 8.8524 8.8524 9.0340 9.0340 9.1780 9.1780 9.8160 9.8160 k = 0.2000 0.4288-0.0000 ( 19318 PWs) bands (ev): -14.7742 -14.7742 -14.7741 -14.7741 -5.1401 -5.1401 -5.1355 -5.1355 -3.5883 -3.5883 -3.5636 -3.5636 -2.2592 -2.2592 -2.2276 -2.2276 -2.0921 -2.0921 -2.0829 -2.0829 0.6974 0.6974 0.6975 0.6975 1.2540 1.2540 1.2976 1.2976 1.5337 1.5337 1.5464 1.5464 2.2799 2.2799 2.3229 2.3229 2.8325 2.8325 2.8951 2.8951 3.0399 3.0399 3.0554 3.0554 3.9552 3.9552 3.9871 3.9871 4.8559 4.8559 4.9051 4.9051 8.7662 8.7662 8.8786 8.8786 9.0120 9.0120 9.1799 9.1799 9.7923 9.7924 k = 0.1833 0.4288-0.0000 ( 19330 PWs) bands (ev): -14.7745 -14.7745 -14.7744 -14.7744 -5.1429 -5.1429 -5.1386 -5.1386 -3.5847 -3.5847 -3.5611 -3.5611 -2.2536 -2.2536 -2.2233 -2.2233 -2.0886 -2.0886 -2.0797 -2.0797 0.6979 0.6979 0.6979 0.6979 1.2536 1.2536 1.2961 1.2961 1.5345 1.5345 1.5463 1.5463 2.2776 2.2776 2.3192 2.3192 2.8285 2.8285 2.8888 2.8888 3.0370 3.0370 3.0516 3.0516 3.9478 3.9478 3.9791 3.9791 4.8730 4.8730 4.9196 4.9196 8.7676 8.7676 8.9014 8.9014 8.9955 8.9955 9.1849 9.1849 9.7628 9.7773 k = 0.1667 0.4288-0.0000 ( 19352 PWs) bands (ev): -14.7747 -14.7747 -14.7746 -14.7746 -5.1457 -5.1457 -5.1415 -5.1415 -3.5811 -3.5811 -3.5588 -3.5588 -2.2482 -2.2482 -2.2195 -2.2195 -2.0849 -2.0849 -2.0765 -2.0765 0.6983 0.6983 0.6984 0.6984 1.2535 1.2535 1.2944 1.2944 1.5353 1.5353 1.5461 1.5461 2.2755 2.2755 2.3153 2.3153 2.8249 2.8249 2.8821 2.8821 3.0342 3.0342 3.0479 3.0479 3.9414 3.9414 3.9717 3.9717 4.8897 4.8897 4.9335 4.9335 8.7674 8.7674 8.9120 8.9120 8.9932 8.9932 9.1929 9.1929 9.7293 9.7349 k = 0.1500 0.4288-0.0000 ( 19364 PWs) bands (ev): -14.7749 -14.7749 -14.7749 -14.7749 -5.1482 -5.1482 -5.1444 -5.1444 -3.5776 -3.5776 -3.5568 -3.5568 -2.2430 -2.2430 -2.2163 -2.2163 -2.0812 -2.0812 -2.0734 -2.0734 0.6988 0.6988 0.6988 0.6988 1.2538 1.2538 1.2925 1.2925 1.5360 1.5360 1.5457 1.5457 2.2738 2.2738 2.3112 2.3112 2.8219 2.8219 2.8754 2.8754 3.0316 3.0316 3.0443 3.0443 3.9360 3.9360 3.9647 3.9647 4.9060 4.9060 4.9465 4.9465 8.7661 8.7661 8.9049 8.9049 9.0106 9.0106 9.2035 9.2035 9.6924 9.6932 k = 0.1333 0.4288-0.0000 ( 19338 PWs) bands (ev): -14.7752 -14.7752 -14.7751 -14.7751 -5.1505 -5.1505 -5.1470 -5.1470 -3.5742 -3.5742 -3.5551 -3.5551 -2.2380 -2.2380 -2.2136 -2.2136 -2.0776 -2.0776 -2.0705 -2.0705 0.6991 0.6991 0.6992 0.6992 1.2544 1.2544 1.2904 1.2904 1.5367 1.5367 1.5452 1.5452 2.2725 2.2725 2.3071 2.3071 2.8194 2.8194 2.8686 2.8686 3.0292 3.0292 3.0408 3.0408 3.9316 3.9316 3.9583 3.9583 4.9216 4.9216 4.9585 4.9585 8.7640 8.7640 8.8887 8.8887 9.0388 9.0388 9.2162 9.2162 9.6528 9.6530 k = 0.1167 0.4288-0.0000 ( 19368 PWs) bands (ev): -14.7754 -14.7754 -14.7753 -14.7753 -5.1525 -5.1525 -5.1494 -5.1494 -3.5709 -3.5709 -3.5538 -3.5538 -2.2334 -2.2334 -2.2115 -2.2115 -2.0741 -2.0741 -2.0678 -2.0678 0.6994 0.6994 0.6995 0.6995 1.2553 1.2553 1.2881 1.2881 1.5372 1.5372 1.5446 1.5446 2.2716 2.2716 2.3029 2.3029 2.8176 2.8176 2.8619 2.8619 3.0272 3.0272 3.0376 3.0376 3.9281 3.9281 3.9524 3.9524 4.9363 4.9363 4.9693 4.9693 8.7616 8.7616 8.8702 8.8702 9.0711 9.0711 9.2302 9.2302 9.6143 9.6144 k = 0.1000 0.4288-0.0000 ( 19368 PWs) bands (ev): -14.7755 -14.7755 -14.7755 -14.7755 -5.1543 -5.1543 -5.1516 -5.1516 -3.5678 -3.5678 -3.5528 -3.5528 -2.2291 -2.2291 -2.2100 -2.2100 -2.0707 -2.0707 -2.0653 -2.0653 0.6997 0.6997 0.6998 0.6998 1.2566 1.2566 1.2857 1.2857 1.5377 1.5377 1.5440 1.5440 2.2711 2.2711 2.2987 2.2987 2.8164 2.8164 2.8553 2.8553 3.0255 3.0255 3.0345 3.0345 3.9255 3.9255 3.9470 3.9470 4.9499 4.9499 4.9788 4.9788 8.7594 8.7594 8.8516 8.8516 9.1048 9.1048 9.2446 9.2446 9.5788 9.5790 k = 0.0833 0.4288-0.0000 ( 19364 PWs) bands (ev): -14.7757 -14.7757 -14.7757 -14.7757 -5.1558 -5.1558 -5.1535 -5.1535 -3.5649 -3.5649 -3.5522 -3.5522 -2.2252 -2.2252 -2.2090 -2.2090 -2.0677 -2.0677 -2.0632 -2.0632 0.7000 0.7000 0.7001 0.7001 1.2582 1.2582 1.2832 1.2832 1.5382 1.5382 1.5433 1.5433 2.2711 2.2711 2.2947 2.2947 2.8159 2.8159 2.8490 2.8490 3.0241 3.0241 3.0317 3.0317 3.9237 3.9237 3.9422 3.9422 4.9622 4.9622 4.9867 4.9867 8.7579 8.7579 8.8340 8.8340 9.1386 9.1386 9.2587 9.2587 9.5469 9.5470 k = 0.0667 0.4288-0.0000 ( 19364 PWs) bands (ev): -14.7758 -14.7758 -14.7758 -14.7758 -5.1570 -5.1570 -5.1552 -5.1552 -3.5623 -3.5623 -3.5519 -3.5519 -2.2216 -2.2216 -2.2086 -2.2086 -2.0651 -2.0651 -2.0614 -2.0614 0.7002 0.7002 0.7003 0.7003 1.2600 1.2600 1.2805 1.2805 1.5386 1.5386 1.5427 1.5427 2.2715 2.2715 2.2908 2.2908 2.8161 2.8161 2.8430 2.8430 3.0231 3.0231 3.0293 3.0293 3.9228 3.9228 3.9378 3.9378 4.9731 4.9731 4.9928 4.9928 8.7574 8.7574 8.8178 8.8178 9.1716 9.1716 9.2714 9.2714 9.5188 9.5190 k = 0.0500 0.4288-0.0000 ( 19368 PWs) bands (ev): -14.7759 -14.7759 -14.7759 -14.7759 -5.1579 -5.1579 -5.1565 -5.1565 -3.5599 -3.5599 -3.5520 -3.5520 -2.2185 -2.2185 -2.2086 -2.2086 -2.0628 -2.0628 -2.0601 -2.0601 0.7004 0.7004 0.7004 0.7004 1.2621 1.2621 1.2778 1.2778 1.5390 1.5390 1.5420 1.5420 2.2724 2.2724 2.2871 2.2871 2.8171 2.8171 2.8375 2.8375 3.0225 3.0225 3.0271 3.0271 3.9225 3.9225 3.9340 3.9340 4.9822 4.9822 4.9972 4.9972 8.7582 8.7582 8.8033 8.8033 9.2029 9.2029 9.2811 9.2811 9.4948 9.4950 k = 0.0333 0.4288-0.0000 ( 19348 PWs) bands (ev): -14.7760 -14.7760 -14.7760 -14.7760 -5.1585 -5.1585 -5.1576 -5.1576 -3.5578 -3.5578 -3.5525 -3.5525 -2.2157 -2.2157 -2.2091 -2.2091 -2.0611 -2.0611 -2.0592 -2.0592 0.7005 0.7005 0.7006 0.7006 1.2644 1.2644 1.2750 1.2750 1.5394 1.5394 1.5414 1.5414 2.2738 2.2738 2.2837 2.2837 2.8188 2.8188 2.8325 2.8325 3.0222 3.0222 3.0254 3.0254 3.9229 3.9229 3.9307 3.9307 4.9896 4.9896 4.9997 4.9997 8.7608 8.7608 8.7906 8.7906 9.2315 9.2315 9.2861 9.2861 9.4738 9.4745 k = 0.0167 0.4288-0.0000 ( 19348 PWs) bands (ev): -14.7760 -14.7760 -14.7760 -14.7760 -5.1588 -5.1588 -5.1583 -5.1583 -3.5559 -3.5559 -3.5533 -3.5533 -2.2134 -2.2134 -2.2101 -2.2101 -2.0598 -2.0598 -2.0589 -2.0589 0.7006 0.7006 0.7006 0.7006 1.2669 1.2669 1.2723 1.2723 1.5399 1.5399 1.5408 1.5408 2.2756 2.2756 2.2806 2.2806 2.8212 2.8212 2.8281 2.8281 3.0224 3.0224 3.0240 3.0240 3.9240 3.9240 3.9279 3.9279 4.9951 4.9951 5.0002 5.0002 8.7652 8.7652 8.7801 8.7801 9.2558 9.2558 9.2842 9.2842 9.4612 9.4622 k = 0.0000 0.4288-0.0000 ( 19378 PWs) bands (ev): -14.7760 -14.7760 -14.7760 -14.7760 -5.1587 -5.1587 -5.1587 -5.1587 -3.5545 -3.5545 -3.5545 -3.5545 -2.2115 -2.2115 -2.2115 -2.2115 -2.0591 -2.0591 -2.0591 -2.0591 0.7006 0.7006 0.7006 0.7006 1.2695 1.2695 1.2695 1.2695 1.5403 1.5403 1.5403 1.5403 2.2779 2.2779 2.2779 2.2779 2.8243 2.8243 2.8243 2.8243 3.0230 3.0230 3.0230 3.0230 3.9257 3.9257 3.9257 3.9257 4.9987 4.9987 4.9987 4.9987 8.7716 8.7716 8.7716 8.7716 9.2740 9.2740 9.2740 9.2740 9.4578 9.4578 k = 0.0000 0.4288-0.0000 ( 19378 PWs) bands (ev): -14.7760 -14.7760 -14.7760 -14.7760 -5.1587 -5.1587 -5.1587 -5.1587 -3.5545 -3.5545 -3.5545 -3.5545 -2.2115 -2.2115 -2.2115 -2.2115 -2.0591 -2.0591 -2.0591 -2.0591 0.7006 0.7006 0.7006 0.7006 1.2695 1.2695 1.2695 1.2695 1.5403 1.5403 1.5403 1.5403 2.2779 2.2779 2.2779 2.2779 2.8243 2.8243 2.8243 2.8243 3.0230 3.0230 3.0230 3.0230 3.9257 3.9257 3.9257 3.9257 4.9987 4.9987 4.9987 4.9987 8.7716 8.7716 8.7716 8.7716 9.2740 9.2740 9.2740 9.2740 9.4578 9.4578 k = 0.0000 0.4123-0.0000 ( 19364 PWs) bands (ev): -14.7779 -14.7779 -14.7742 -14.7742 -5.1836 -5.1836 -5.1332 -5.1332 -3.5598 -3.5598 -3.5493 -3.5493 -2.2207 -2.2207 -2.2027 -2.2027 -2.0629 -2.0629 -2.0554 -2.0554 0.6732 0.6732 0.7253 0.7253 1.2421 1.2421 1.2936 1.2936 1.5027 1.5027 1.5825 1.5825 2.2578 2.2578 2.3001 2.3001 2.7855 2.7855 2.8672 2.8672 3.0161 3.0161 3.0312 3.0312 3.9108 3.9108 3.9420 3.9420 4.9706 4.9706 5.0274 5.0274 8.7069 8.7069 8.8260 8.8260 9.2159 9.2159 9.3271 9.3271 9.4131 9.4131 k = 0.0000 0.3958-0.0000 ( 19360 PWs) bands (ev): -14.7798 -14.7798 -14.7724 -14.7724 -5.2080 -5.2080 -5.1072 -5.1072 -3.5654 -3.5654 -3.5444 -3.5444 -2.2303 -2.2303 -2.1944 -2.1944 -2.0668 -2.0668 -2.0519 -2.0519 0.6434 0.6434 0.7467 0.7467 1.2117 1.2117 1.3142 1.3142 1.4698 1.4698 1.6286 1.6286 2.2403 2.2403 2.3237 2.3237 2.7510 2.7510 2.9129 2.9129 3.0114 3.0114 3.0403 3.0403 3.8974 3.8974 3.9599 3.9599 4.9433 4.9433 5.0568 5.0568 8.6338 8.6338 8.8679 8.8679 9.1554 9.1554 9.3565 9.3565 9.3766 9.3766 k = 0.0000 0.3794-0.0000 ( 19366 PWs) bands (ev): -14.7816 -14.7816 -14.7705 -14.7705 -5.2316 -5.2316 -5.0807 -5.0807 -3.5713 -3.5713 -3.5397 -3.5397 -2.2403 -2.2403 -2.1866 -2.1866 -2.0708 -2.0708 -2.0485 -2.0485 0.6117 0.6117 0.7643 0.7643 1.1789 1.1789 1.3317 1.3317 1.4415 1.4415 1.6777 1.6777 2.2260 2.2260 2.3481 2.3481 2.7210 2.7210 2.9567 2.9567 3.0139 3.0139 3.0502 3.0502 3.8852 3.8852 3.9795 3.9795 4.9167 4.9167 5.0870 5.0870 8.5540 8.5540 8.8952 8.8952 9.0944 9.0944 9.3036 9.3036 9.4000 9.4000 k = 0.0000 0.3629-0.0000 ( 19374 PWs) bands (ev): -14.7834 -14.7834 -14.7687 -14.7687 -5.2546 -5.2546 -5.0539 -5.0539 -3.5773 -3.5773 -3.5352 -3.5352 -2.2505 -2.2505 -2.1794 -2.1794 -2.0747 -2.0747 -2.0451 -2.0451 0.5785 0.5785 0.7779 0.7779 1.1449 1.1449 1.3464 1.3464 1.4172 1.4172 1.7289 1.7289 2.2156 2.2156 2.3726 2.3726 2.6957 2.6957 2.9787 2.9787 3.0431 3.0431 3.0608 3.0608 3.8744 3.8744 4.0007 4.0007 4.8909 4.8909 5.1177 5.1177 8.4689 8.4689 8.9050 8.9050 9.0354 9.0354 9.2443 9.2443 9.3918 9.3918 k = 0.0000 0.3464-0.0000 ( 19372 PWs) bands (ev): -14.7853 -14.7853 -14.7670 -14.7670 -5.2768 -5.2768 -5.0268 -5.0268 -3.5835 -3.5835 -3.5310 -3.5310 -2.2611 -2.2611 -2.1729 -2.1729 -2.0786 -2.0786 -2.0419 -2.0419 0.5443 0.5443 0.7870 0.7870 1.1109 1.1109 1.3586 1.3586 1.3963 1.3963 1.7810 1.7810 2.2094 2.2094 2.3966 2.3966 2.6751 2.6751 2.9809 2.9809 3.0720 3.0720 3.0972 3.0972 3.8649 3.8649 4.0238 4.0238 4.8658 4.8658 5.1490 5.1490 8.3799 8.3799 8.8935 8.8935 8.9818 8.9818 9.1833 9.1833 9.3327 9.3327 k = 0.0000 0.3299-0.0000 ( 19376 PWs) bands (ev): -14.7870 -14.7870 -14.7652 -14.7652 -5.2983 -5.2983 -4.9994 -4.9994 -3.5899 -3.5899 -3.5270 -3.5270 -2.2721 -2.2721 -2.1673 -2.1673 -2.0823 -2.0823 -2.0387 -2.0387 0.5095 0.5095 0.7912 0.7912 1.0781 1.0781 1.3673 1.3673 1.3792 1.3792 1.8330 1.8330 2.2078 2.2078 2.4194 2.4194 2.6595 2.6595 2.9795 2.9795 3.0840 3.0840 3.1596 3.1596 3.8565 3.8565 4.0489 4.0489 4.8416 4.8416 5.1809 5.1809 8.2879 8.2879 8.8585 8.8585 8.9361 8.9361 9.1223 9.1223 9.2294 9.2294 k = 0.0000 0.3134-0.0000 ( 19362 PWs) bands (ev): -14.7888 -14.7888 -14.7636 -14.7636 -5.3189 -5.3189 -4.9720 -4.9720 -3.5965 -3.5965 -3.5233 -3.5233 -2.2833 -2.2833 -2.1627 -2.1627 -2.0856 -2.0856 -2.0354 -2.0354 0.4743 0.4743 0.7905 0.7905 1.0475 1.0475 1.3589 1.3589 1.3791 1.3791 1.8837 1.8837 2.2112 2.2112 2.4406 2.4406 2.6490 2.6490 2.9779 2.9779 3.0965 3.0965 3.2264 3.2264 3.8493 3.8493 4.0761 4.0761 4.8182 4.8182 5.2132 5.2132 8.1938 8.1938 8.8080 8.8080 8.8916 8.8916 9.0619 9.0619 9.1039 9.1039 k = 0.0000 0.2969-0.0000 ( 19366 PWs) bands (ev): -14.7905 -14.7905 -14.7619 -14.7619 -5.3387 -5.3387 -4.9444 -4.9444 -3.6033 -3.6033 -3.5198 -3.5198 -2.2947 -2.2947 -2.1591 -2.1591 -2.0884 -2.0884 -2.0321 -2.0321 0.4392 0.4392 0.7847 0.7847 1.0199 1.0199 1.3439 1.3439 1.3856 1.3856 1.9319 1.9319 2.2196 2.2196 2.4598 2.4598 2.6436 2.6436 2.9770 2.9770 3.1097 3.1097 3.2966 3.2966 3.8433 3.8433 4.1056 4.1056 4.7956 4.7956 5.2459 5.2459 8.0984 8.0984 8.7513 8.7513 8.8405 8.8405 8.9677 8.9677 9.0051 9.0051 k = 0.0000 0.2804-0.0000 ( 19370 PWs) bands (ev): -14.7922 -14.7922 -14.7604 -14.7604 -5.3576 -5.3576 -4.9170 -4.9170 -3.6102 -3.6102 -3.5165 -3.5165 -2.3064 -2.3064 -2.1567 -2.1567 -2.0906 -2.0906 -2.0286 -2.0286 0.4045 0.4045 0.7742 0.7742 0.9956 0.9956 1.3294 1.3294 1.3913 1.3913 1.9765 1.9765 2.2331 2.2331 2.4773 2.4773 2.6431 2.6431 2.9770 2.9770 3.1234 3.1234 3.3692 3.3692 3.8385 3.8385 4.1376 4.1376 4.7739 4.7739 5.2788 5.2788 8.0023 8.0023 8.6920 8.6920 8.7803 8.7803 8.8325 8.8325 8.9476 8.9476 k = 0.0000 0.2639-0.0000 ( 19368 PWs) bands (ev): -14.7938 -14.7938 -14.7588 -14.7588 -5.3755 -5.3755 -4.8897 -4.8897 -3.6173 -3.6173 -3.5134 -3.5134 -2.3183 -2.3183 -2.1556 -2.1556 -2.0922 -2.0922 -2.0251 -2.0251 0.3704 0.3704 0.7597 0.7597 0.9745 0.9745 1.3155 1.3155 1.3961 1.3961 2.0164 2.0164 2.2510 2.2510 2.4940 2.4940 2.6469 2.6469 2.9782 2.9782 3.1377 3.1377 3.4433 3.4433 3.8349 3.8349 4.1723 4.1723 4.7532 4.7532 5.3120 5.3120 7.9060 7.9060 8.6260 8.6260 8.6945 8.6945 8.7228 8.7228 8.8915 8.8915 k = 0.0000 0.2474-0.0000 ( 19371 PWs) bands (ev): -14.7953 -14.7953 -14.7574 -14.7574 -5.3926 -5.3926 -4.8627 -4.8627 -3.6244 -3.6244 -3.5106 -3.5106 -2.3304 -2.3304 -2.1556 -2.1556 -2.0932 -2.0932 -2.0213 -2.0213 0.3372 0.3372 0.7422 0.7422 0.9563 0.9563 1.3021 1.3021 1.4001 1.4001 2.0512 2.0512 2.2722 2.2722 2.5111 2.5111 2.6539 2.6539 2.9804 2.9804 3.1526 3.1526 3.5177 3.5177 3.8328 3.8328 4.2100 4.2100 4.7335 4.7335 5.3451 5.3451 7.8100 7.8100 8.5263 8.5263 8.6023 8.6023 8.6511 8.6511 8.8364 8.8364 k = 0.0000 0.2309-0.0000 ( 19361 PWs) bands (ev): -14.7968 -14.7968 -14.7560 -14.7560 -5.4086 -5.4086 -4.8361 -4.8361 -3.6316 -3.6316 -3.5080 -3.5080 -2.3425 -2.3425 -2.1565 -2.1565 -2.0937 -2.0937 -2.0175 -2.0175 0.3052 0.3052 0.7228 0.7228 0.9403 0.9403 1.2890 1.2890 1.4035 1.4035 2.0810 2.0810 2.2947 2.2947 2.5302 2.5302 2.6632 2.6632 2.9838 2.9838 3.1678 3.1678 3.5908 3.5908 3.8331 3.8331 4.2510 4.2510 4.7149 4.7149 5.3781 5.3781 7.7145 7.7145 8.3974 8.3974 8.5375 8.5375 8.5822 8.5822 8.7826 8.7826 k = 0.0000 0.2144-0.0000 ( 19373 PWs) bands (ev): -14.7982 -14.7982 -14.7547 -14.7547 -5.4237 -5.4237 -4.8101 -4.8101 -3.6389 -3.6389 -3.5056 -3.5056 -2.3545 -2.3545 -2.1582 -2.1582 -2.0938 -2.0938 -2.0135 -2.0135 0.2746 0.2746 0.7025 0.7025 0.9261 0.9261 1.2765 1.2765 1.4065 1.4065 2.1065 2.1065 2.3165 2.3165 2.5522 2.5522 2.6740 2.6740 2.9883 2.9883 3.1835 3.1835 3.6594 3.6594 3.8379 3.8379 4.2955 4.2955 4.6975 4.6975 5.4108 5.4108 7.6199 7.6199 8.2659 8.2659 8.4733 8.4733 8.5194 8.5194 8.7306 8.7306 k = 0.0000 0.1979-0.0000 ( 19369 PWs) bands (ev): -14.7995 -14.7995 -14.7535 -14.7535 -5.4378 -5.4378 -4.7849 -4.7849 -3.6461 -3.6461 -3.5035 -3.5035 -2.3665 -2.3665 -2.1604 -2.1604 -2.0937 -2.0937 -2.0094 -2.0094 0.2455 0.2455 0.6822 0.6822 0.9131 0.9131 1.2644 1.2644 1.4091 1.4091 2.1282 2.1282 2.3360 2.3360 2.5771 2.5771 2.6860 2.6860 2.9936 2.9936 3.1993 3.1993 3.7165 3.7165 3.8526 3.8526 4.3437 4.3437 4.6814 4.6814 5.4430 5.4430 7.5263 7.5263 8.1372 8.1372 8.4032 8.4032 8.4661 8.4661 8.6810 8.6810 k = 0.0000 0.1814-0.0000 ( 19363 PWs) bands (ev): -14.8007 -14.8007 -14.7523 -14.7523 -5.4508 -5.4508 -4.7606 -4.7606 -3.6533 -3.6533 -3.5015 -3.5015 -2.3782 -2.3782 -2.1628 -2.1628 -2.0935 -2.0935 -2.0054 -2.0054 0.2181 0.2181 0.6625 0.6625 0.9012 0.9012 1.2528 1.2528 1.4113 1.4113 2.1469 2.1469 2.3528 2.3528 2.6035 2.6035 2.6997 2.6997 2.9997 2.9997 3.2153 3.2153 3.7525 3.7525 3.8860 3.8860 4.3958 4.3958 4.6666 4.6666 5.4744 5.4744 7.4338 7.4338 8.0134 8.0134 8.3301 8.3301 8.4200 8.4200 8.6342 8.6342 k = 0.0000 0.1649-0.0000 ( 19353 PWs) bands (ev): -14.8019 -14.8019 -14.7513 -14.7513 -5.4628 -5.4628 -4.7374 -4.7374 -3.6604 -3.6604 -3.4997 -3.4997 -2.3896 -2.3896 -2.1654 -2.1654 -2.0933 -2.0933 -2.0014 -2.0014 0.1926 0.1926 0.6439 0.6439 0.8901 0.8901 1.2419 1.2419 1.4133 1.4133 2.1630 2.1630 2.3668 2.3668 2.6286 2.6286 2.7163 2.7163 3.0064 3.0064 3.2313 3.2313 3.7678 3.7678 3.9362 3.9362 4.4518 4.4518 4.6534 4.6534 5.5047 5.5047 7.3425 7.3425 7.8959 7.8959 8.2570 8.2570 8.3790 8.3790 8.5907 8.5907 k = 0.0000 0.1484-0.0000 ( 19353 PWs) bands (ev): -14.8029 -14.8029 -14.7503 -14.7503 -5.4736 -5.4736 -4.7156 -4.7156 -3.6672 -3.6672 -3.4981 -3.4981 -2.4004 -2.4004 -2.1680 -2.1680 -2.0931 -2.0931 -1.9975 -1.9975 0.1692 0.1692 0.6266 0.6266 0.8799 0.8799 1.2318 1.2318 1.4150 1.4150 2.1768 2.1768 2.3786 2.3786 2.6495 2.6495 2.7369 2.7369 3.0136 3.0136 3.2471 3.2471 3.7724 3.7724 3.9920 3.9920 4.5113 4.5113 4.6418 4.6418 5.5338 5.5338 7.2525 7.2525 7.7862 7.7862 8.1861 8.1861 8.3420 8.3420 8.5508 8.5508 k = 0.0000 0.1319-0.0000 ( 19339 PWs) bands (ev): -14.8039 -14.8039 -14.7495 -14.7495 -5.4834 -5.4834 -4.6952 -4.6952 -3.6738 -3.6738 -3.4967 -3.4967 -2.4106 -2.4106 -2.1705 -2.1705 -2.0930 -2.0930 -1.9938 -1.9938 0.1478 0.1478 0.6109 0.6109 0.8705 0.8705 1.2224 1.2224 1.4165 1.4165 2.1886 2.1886 2.3886 2.3886 2.6649 2.6649 2.7615 2.7615 3.0210 3.0210 3.2625 3.2625 3.7725 3.7725 4.0464 4.0464 4.5733 4.5733 4.6323 4.6323 5.5613 5.5613 7.1641 7.1641 7.6856 7.6856 8.1188 8.1188 8.3090 8.3090 8.5146 8.5146 k = 0.0000 0.1155-0.0000 ( 19327 PWs) bands (ev): -14.8047 -14.8047 -14.7487 -14.7487 -5.4921 -5.4921 -4.6765 -4.6765 -3.6799 -3.6799 -3.4955 -3.4955 -2.4201 -2.4201 -2.1728 -2.1728 -2.0930 -2.0930 -1.9905 -1.9905 0.1288 0.1288 0.5968 0.5968 0.8621 0.8621 1.2140 1.2140 1.4177 1.4177 2.1986 2.1986 2.3973 2.3973 2.6757 2.6757 2.7879 2.7879 3.0285 3.0285 3.2773 3.2773 3.7704 3.7704 4.0963 4.0963 4.6205 4.6205 4.6408 4.6408 5.5870 5.5870 7.0779 7.0779 7.5953 7.5953 8.0561 8.0561 8.2798 8.2798 8.4824 8.4824 k = 0.0000 0.0990-0.0000 ( 19343 PWs) bands (ev): -14.8055 -14.8055 -14.7480 -14.7480 -5.4996 -5.4996 -4.6598 -4.6598 -3.6856 -3.6856 -3.4944 -3.4944 -2.4286 -2.4286 -2.1749 -2.1749 -2.0929 -2.0929 -1.9874 -1.9874 0.1121 0.1121 0.5846 0.5846 0.8545 0.8545 1.2066 1.2066 1.4188 1.4188 2.2068 2.2068 2.4048 2.4048 2.6831 2.6831 2.8138 2.8138 3.0359 3.0359 3.2913 3.2913 3.7671 3.7671 4.1404 4.1404 4.6160 4.6160 4.7027 4.7027 5.6105 5.6105 6.9952 6.9952 7.5162 7.5162 7.9994 7.9994 8.2543 8.2543 8.4543 8.4543 k = 0.0000 0.0825-0.0000 ( 19327 PWs) bands (ev): -14.8061 -14.8061 -14.7474 -14.7474 -5.5060 -5.5060 -4.6452 -4.6452 -3.6906 -3.6906 -3.4935 -3.4935 -2.4360 -2.4360 -2.1767 -2.1767 -2.0930 -2.0930 -1.9847 -1.9847 0.0978 0.0978 0.5742 0.5742 0.8481 0.8481 1.2002 1.2002 1.4197 1.4197 2.2135 2.2135 2.4113 2.4113 2.6885 2.6885 2.8374 2.8374 3.0430 3.0430 3.3040 3.3040 3.7633 3.7633 4.1780 4.1780 4.6113 4.6113 4.7640 4.7640 5.6316 5.6316 6.9176 6.9176 7.4489 7.4489 7.9494 7.9494 8.2327 8.2327 8.4304 8.4304 k = 0.0000 0.0660-0.0000 ( 19329 PWs) bands (ev): -14.8066 -14.8066 -14.7470 -14.7470 -5.5113 -5.5113 -4.6330 -4.6330 -3.6949 -3.6949 -3.4928 -3.4928 -2.4422 -2.4422 -2.1782 -2.1782 -2.0930 -2.0930 -1.9825 -1.9825 0.0861 0.0861 0.5657 0.5657 0.8427 0.8427 1.1949 1.1949 1.4204 1.4204 2.2188 2.2188 2.4167 2.4167 2.6923 2.6923 2.8574 2.8574 3.0496 3.0496 3.3152 3.3152 3.7594 3.7594 4.2086 4.2086 4.6080 4.6080 4.8204 4.8204 5.6498 5.6498 6.8475 6.8475 7.3938 7.3938 7.9072 7.9072 8.2150 8.2150 8.4107 8.4107 k = 0.0000 0.0495-0.0000 ( 19333 PWs) bands (ev): -14.8070 -14.8070 -14.7466 -14.7466 -5.5154 -5.5154 -4.6233 -4.6233 -3.6984 -3.6984 -3.4922 -3.4922 -2.4472 -2.4472 -2.1794 -2.1794 -2.0931 -2.0931 -1.9807 -1.9807 0.0769 0.0769 0.5591 0.5591 0.8384 0.8384 1.1908 1.1908 1.4209 1.4209 2.2228 2.2228 2.4209 2.4209 2.6949 2.6949 2.8733 2.8733 3.0552 3.0552 3.3246 3.3246 3.7557 3.7557 4.2324 4.2324 4.6059 4.6059 4.8689 4.8689 5.6647 5.6647 6.7881 6.7881 7.3509 7.3509 7.8735 7.8735 8.2011 8.2011 8.3953 8.3953 k = 0.0000 0.0330-0.0000 ( 19343 PWs) bands (ev): -14.8073 -14.8073 -14.7463 -14.7463 -5.5183 -5.5183 -4.6162 -4.6162 -3.7010 -3.7010 -3.4918 -3.4918 -2.4508 -2.4508 -2.1802 -2.1802 -2.0931 -2.0931 -1.9794 -1.9794 0.0703 0.0703 0.5543 0.5543 0.8353 0.8353 1.1878 1.1878 1.4213 1.4213 2.2256 2.2256 2.4240 2.4240 2.6967 2.6967 2.8847 2.8847 3.0596 3.0596 3.3316 3.3316 3.7528 3.7528 4.2492 4.2492 4.6047 4.6047 4.9063 4.9063 5.6760 5.6760 6.7424 6.7424 7.3204 7.3204 7.8490 7.8490 8.1912 8.1912 8.3843 8.3843 k = 0.0000 0.0165-0.0000 ( 19343 PWs) bands (ev): -14.8075 -14.8075 -14.7462 -14.7462 -5.5201 -5.5201 -4.6119 -4.6119 -3.7025 -3.7025 -3.4916 -3.4916 -2.4530 -2.4530 -2.1807 -2.1807 -2.0931 -2.0931 -1.9786 -1.9786 0.0663 0.0663 0.5515 0.5515 0.8335 0.8335 1.1860 1.1860 1.4215 1.4215 2.2272 2.2272 2.4259 2.4259 2.6977 2.6977 2.8915 2.8915 3.0624 3.0624 3.3360 3.3360 3.7509 3.7509 4.2593 4.2593 4.6041 4.6041 4.9300 4.9300 5.6830 5.6830 6.7135 6.7135 7.3021 7.3021 7.8341 7.8341 8.1853 8.1853 8.3777 8.3777 k = 0.0000 0.0000 0.0000 ( 19359 PWs) bands (ev): -14.8076 -14.8076 -14.7461 -14.7461 -5.5207 -5.5207 -4.6105 -4.6105 -3.7030 -3.7030 -3.4915 -3.4915 -2.4538 -2.4538 -2.1809 -2.1809 -2.0931 -2.0931 -1.9783 -1.9783 0.0650 0.0650 0.5505 0.5505 0.8329 0.8329 1.1854 1.1854 1.4216 1.4216 2.2278 2.2278 2.4265 2.4265 2.6981 2.6981 2.8938 2.8938 3.0634 3.0634 3.3375 3.3375 3.7502 3.7502 4.2626 4.2626 4.6040 4.6040 4.9381 4.9381 5.6853 5.6853 6.7035 6.7035 7.2960 7.2960 7.8290 7.8290 8.1833 8.1833 8.3755 8.3755 k = 0.0000 0.0000 0.0000 ( 19359 PWs) bands (ev): -14.8076 -14.8076 -14.7461 -14.7461 -5.5207 -5.5207 -4.6105 -4.6105 -3.7030 -3.7030 -3.4915 -3.4915 -2.4538 -2.4538 -2.1809 -2.1809 -2.0931 -2.0931 -1.9783 -1.9783 0.0650 0.0650 0.5505 0.5505 0.8329 0.8329 1.1854 1.1854 1.4216 1.4216 2.2278 2.2278 2.4265 2.4265 2.6981 2.6981 2.8938 2.8938 3.0634 3.0634 3.3375 3.3375 3.7502 3.7502 4.2626 4.2626 4.6040 4.6040 4.9381 4.9381 5.6853 5.6853 6.7035 6.7035 7.2960 7.2960 7.8290 7.8290 8.1833 8.1833 8.3755 8.3755 k = 0.0000 0.0000 0.0169 ( 19347 PWs) bands (ev): -14.8075 -14.8075 -14.7461 -14.7461 -5.5202 -5.5202 -4.6115 -4.6115 -3.7026 -3.7026 -3.4917 -3.4917 -2.4530 -2.4530 -2.1808 -2.1808 -2.0933 -2.0933 -1.9788 -1.9788 0.0657 0.0657 0.5509 0.5509 0.8332 0.8332 1.1856 1.1856 1.4216 1.4216 2.2279 2.2279 2.4262 2.4262 2.6981 2.6981 2.8936 2.8936 3.0631 3.0631 3.3374 3.3374 3.7473 3.7473 4.2581 4.2581 4.6023 4.6023 4.9408 4.9408 5.6837 5.6837 6.7049 6.7049 7.3018 7.3018 7.8375 7.8375 8.1884 8.1884 8.3771 8.3771 k = 0.0000 0.0000 0.0338 ( 19351 PWs) bands (ev): -14.8074 -14.8074 -14.7463 -14.7463 -5.5190 -5.5190 -4.6146 -4.6146 -3.7012 -3.7012 -3.4923 -3.4923 -2.4508 -2.4508 -2.1804 -2.1804 -2.0936 -2.0936 -1.9803 -1.9803 0.0676 0.0676 0.5521 0.5521 0.8343 0.8343 1.1864 1.1864 1.4218 1.4218 2.2282 2.2282 2.4252 2.4252 2.6982 2.6982 2.8930 2.8930 3.0623 3.0623 3.3372 3.3372 3.7388 3.7388 4.2450 4.2450 4.5977 4.5977 4.9484 4.9484 5.6787 5.6787 6.7093 6.7093 7.3189 7.3189 7.8627 7.8627 8.2039 8.2039 8.3817 8.3817 k = 0.0000 0.0000 0.0506 ( 19357 PWs) bands (ev): -14.8072 -14.8072 -14.7464 -14.7464 -5.5169 -5.5169 -4.6196 -4.6196 -3.6990 -3.6990 -3.4932 -3.4932 -2.4472 -2.4472 -2.1797 -2.1797 -2.0942 -2.0942 -1.9828 -1.9828 0.0709 0.0709 0.5541 0.5541 0.8361 0.8361 1.1877 1.1877 1.4220 1.4220 2.2287 2.2287 2.4235 2.4235 2.6983 2.6983 2.8921 2.8921 3.0611 3.0611 3.3369 3.3369 3.7246 3.7246 4.2239 4.2239 4.5907 4.5907 4.9598 4.9598 5.6708 5.6708 6.7171 6.7171 7.3471 7.3471 7.9038 7.9038 8.2293 8.2293 8.3894 8.3894 k = 0.0000 0.0000 0.0675 ( 19343 PWs) bands (ev): -14.8070 -14.8070 -14.7467 -14.7467 -5.5140 -5.5140 -4.6265 -4.6265 -3.6960 -3.6960 -3.4945 -3.4945 -2.4422 -2.4422 -2.1788 -2.1788 -2.0950 -2.0950 -1.9861 -1.9861 0.0753 0.0753 0.5568 0.5568 0.8387 0.8387 1.1896 1.1896 1.4224 1.4224 2.2294 2.2294 2.4211 2.4211 2.6985 2.6985 2.8908 2.8908 3.0594 3.0594 3.3364 3.3364 3.7049 3.7049 4.1957 4.1957 4.5821 4.5821 4.9738 4.9738 5.6602 5.6602 6.7292 6.7292 7.3858 7.3858 7.9595 7.9595 8.2643 8.2643 8.4002 8.4002 k = 0.0000 0.0000 0.0844 ( 19329 PWs) bands (ev): -14.8067 -14.8067 -14.7469 -14.7469 -5.5104 -5.5104 -4.6351 -4.6351 -3.6923 -3.6923 -3.4962 -3.4962 -2.4359 -2.4359 -2.1776 -2.1776 -2.0959 -2.0959 -1.9904 -1.9904 0.0808 0.0808 0.5601 0.5601 0.8420 0.8420 1.1920 1.1920 1.4228 1.4228 2.2303 2.2303 2.4182 2.4182 2.6988 2.6988 2.8893 2.8893 3.0573 3.0573 3.3359 3.3359 3.6800 3.6800 4.1616 4.1616 4.5728 4.5728 4.9891 4.9891 5.6473 5.6473 6.7461 6.7461 7.4346 7.4346 8.0283 8.0283 8.3083 8.3083 8.4139 8.4139 k = 0.0000 0.0000 0.1013 ( 19333 PWs) bands (ev): -14.8064 -14.8064 -14.7473 -14.7473 -5.5060 -5.5060 -4.6452 -4.6452 -3.6880 -3.6880 -3.4981 -3.4981 -2.4284 -2.4284 -2.1763 -2.1763 -2.0970 -2.0970 -1.9956 -1.9956 0.0872 0.0872 0.5640 0.5640 0.8460 0.8460 1.1950 1.1950 1.4234 1.4234 2.2315 2.2315 2.4147 2.4147 2.6991 2.6991 2.8875 2.8875 3.0551 3.0551 3.3354 3.3354 3.6502 3.6502 4.1231 4.1231 4.5631 4.5631 5.0047 5.0047 5.6328 5.6328 6.7686 6.7686 7.4928 7.4928 8.1086 8.1086 8.3608 8.3608 8.4307 8.4307 k = 0.0000 0.0000 0.1182 ( 19335 PWs) bands (ev): -14.8060 -14.8060 -14.7477 -14.7477 -5.5010 -5.5010 -4.6567 -4.6567 -3.6831 -3.6831 -3.5004 -3.5004 -2.4199 -2.4199 -2.1748 -2.1748 -2.0983 -2.0983 -2.0015 -2.0015 0.0943 0.0943 0.5684 0.5684 0.8507 0.8507 1.1987 1.1987 1.4240 1.4240 2.2328 2.2328 2.4108 2.4108 2.6995 2.6995 2.8855 2.8855 3.0527 3.0527 3.3347 3.3347 3.6158 3.6158 4.0813 4.0813 4.5534 4.5534 5.0198 5.0198 5.6172 5.6172 6.7968 6.7968 7.5599 7.5599 8.1984 8.1984 8.4210 8.4210 8.4505 8.4505 k = 0.0000 0.0000 0.1350 ( 19343 PWs) bands (ev): -14.8055 -14.8055 -14.7481 -14.7481 -5.4954 -5.4954 -4.6693 -4.6693 -3.6778 -3.6778 -3.5029 -3.5029 -2.4104 -2.4104 -2.1732 -2.1732 -2.0995 -2.0995 -2.0080 -2.0080 0.1020 0.1020 0.5731 0.5731 0.8560 0.8560 1.2031 1.2031 1.4247 1.4247 2.2343 2.2343 2.4065 2.4065 2.7000 2.7000 2.8835 2.8835 3.0502 3.0502 3.3340 3.3340 3.5773 3.5773 4.0375 4.0375 4.5439 4.5439 5.0338 5.0338 5.6011 5.6011 6.8309 6.8309 7.6353 7.6353 8.2956 8.2956 8.4723 8.4723 8.4892 8.4892 k = 0.0000 0.0000 0.1519 ( 19351 PWs) bands (ev): -14.8050 -14.8050 -14.7486 -14.7486 -5.4892 -5.4892 -4.6827 -4.6827 -3.6722 -3.6722 -3.5057 -3.5057 -2.4001 -2.4001 -2.1715 -2.1715 -2.1008 -2.1008 -2.0153 -2.0153 0.1101 0.1101 0.5780 0.5780 0.8620 0.8620 1.2081 1.2081 1.4255 1.4255 2.2360 2.2360 2.4019 2.4019 2.7004 2.7004 2.8814 2.8814 3.0478 3.0478 3.3332 3.3332 3.5355 3.5355 3.9929 3.9929 4.5347 4.5347 5.0464 5.0464 5.5849 5.5849 6.8707 6.8707 7.7183 7.7183 8.3971 8.3971 8.4994 8.4994 8.5626 8.5626 k = 0.0000 0.0000 0.1688 ( 19347 PWs) bands (ev): -14.8045 -14.8045 -14.7491 -14.7491 -5.4827 -5.4827 -4.6968 -4.6968 -3.6664 -3.6664 -3.5086 -3.5086 -2.3891 -2.3891 -2.1698 -2.1698 -2.1021 -2.1021 -2.0230 -2.0230 0.1184 0.1184 0.5830 0.5830 0.8684 0.8684 1.2139 1.2139 1.4263 1.4263 2.2378 2.2378 2.3971 2.3971 2.7010 2.7010 2.8794 2.8794 3.0455 3.0455 3.3322 3.3322 3.4910 3.4910 3.9485 3.9485 4.5259 4.5259 5.0574 5.0574 5.5692 5.5692 6.9156 6.9156 7.8083 7.8083 8.4917 8.4917 8.5389 8.5389 8.6419 8.6419 k = 0.0000 0.0000 0.1857 ( 19345 PWs) bands (ev): -14.8039 -14.8039 -14.7497 -14.7497 -5.4758 -5.4758 -4.7112 -4.7112 -3.6605 -3.6605 -3.5117 -3.5117 -2.3777 -2.3777 -2.1681 -2.1681 -2.1033 -2.1033 -2.0312 -2.0312 0.1266 0.1266 0.5879 0.5879 0.8751 0.8751 1.2204 1.2204 1.4272 1.4272 2.2398 2.2398 2.3923 2.3923 2.7016 2.7016 2.8775 2.8775 3.0433 3.0433 3.3308 3.3308 3.4450 3.4450 3.9051 3.9051 4.5175 4.5175 5.0667 5.0667 5.5543 5.5543 6.9649 6.9649 7.9047 7.9047 8.5420 8.5420 8.6255 8.6255 8.7263 8.7263 k = 0.0000 0.0000 0.2026 ( 19351 PWs) bands (ev): -14.8034 -14.8034 -14.7502 -14.7502 -5.4686 -5.4686 -4.7256 -4.7256 -3.6546 -3.6546 -3.5149 -3.5149 -2.3660 -2.3660 -2.1665 -2.1665 -2.1044 -2.1044 -2.0397 -2.0397 0.1348 0.1348 0.5928 0.5928 0.8821 0.8821 1.2276 1.2276 1.4281 1.4281 2.2419 2.2419 2.3877 2.3877 2.7022 2.7022 2.8758 2.8758 3.0413 3.0413 3.3278 3.3278 3.3993 3.3993 3.8634 3.8634 4.5096 4.5096 5.0743 5.0743 5.5406 5.5406 7.0179 7.0179 8.0069 8.0069 8.5757 8.5757 8.7278 8.7278 8.8146 8.8146 k = 0.0000 0.0000 0.2194 ( 19354 PWs) bands (ev): -14.8028 -14.8028 -14.7508 -14.7508 -5.4614 -5.4614 -4.7399 -4.7399 -3.6487 -3.6487 -3.5182 -3.5182 -2.3541 -2.3541 -2.1650 -2.1650 -2.1053 -2.1053 -2.0484 -2.0484 0.1425 0.1425 0.5974 0.5974 0.8891 0.8891 1.2354 1.2354 1.4290 1.4290 2.2441 2.2441 2.3834 2.3834 2.7028 2.7028 2.8744 2.8744 3.0395 3.0395 3.3180 3.3180 3.3603 3.3603 3.8241 3.8241 4.5021 4.5021 5.0803 5.0803 5.5282 5.5282 7.0735 7.0735 8.1140 8.1140 8.6085 8.6085 8.8260 8.8260 8.9048 8.9048 k = 0.0000 0.0000 0.2363 ( 19358 PWs) bands (ev): -14.8023 -14.8023 -14.7513 -14.7513 -5.4543 -5.4543 -4.7537 -4.7537 -3.6431 -3.6431 -3.5214 -3.5214 -2.3424 -2.3424 -2.1637 -2.1637 -2.1061 -2.1061 -2.0572 -2.0572 0.1498 0.1498 0.6016 0.6016 0.8959 0.8959 1.2436 1.2436 1.4299 1.4299 2.2462 2.2462 2.3795 2.3795 2.7034 2.7034 2.8733 2.8733 3.0379 3.0379 3.2872 3.2872 3.3429 3.3429 3.7878 3.7878 4.4952 4.4952 5.0850 5.0850 5.5173 5.5173 7.1303 7.1303 8.2255 8.2255 8.6419 8.6419 8.9152 8.9152 8.9935 8.9935 k = 0.0000 0.0000 0.2532 ( 19354 PWs) bands (ev): -14.8018 -14.8018 -14.7518 -14.7518 -5.4475 -5.4475 -4.7667 -4.7667 -3.6377 -3.6377 -3.5247 -3.5247 -2.3309 -2.3309 -2.1626 -2.1626 -2.1066 -2.1066 -2.0659 -2.0659 0.1565 0.1565 0.6055 0.6055 0.9023 0.9023 1.2521 1.2521 1.4307 1.4307 2.2482 2.2482 2.3762 2.3762 2.7040 2.7040 2.8726 2.8726 3.0366 3.0366 3.2453 3.2453 3.3385 3.3385 3.7547 3.7547 4.4888 4.4888 5.0884 5.0884 5.5080 5.5080 7.1870 7.1870 8.3406 8.3406 8.6757 8.6757 8.9926 8.9926 9.0783 9.0783 k = 0.0000 0.0000 0.2701 ( 19346 PWs) bands (ev): -14.8013 -14.8013 -14.7523 -14.7523 -5.4410 -5.4410 -4.7788 -4.7788 -3.6327 -3.6327 -3.5278 -3.5278 -2.3199 -2.3199 -2.1617 -2.1617 -2.1070 -2.1070 -2.0744 -2.0744 0.1625 0.1625 0.6089 0.6089 0.9083 0.9083 1.2605 1.2605 1.4315 1.4315 2.2502 2.2502 2.3735 2.3735 2.7046 2.7046 2.8723 2.8723 3.0354 3.0354 3.2035 3.2035 3.3369 3.3369 3.7254 3.7254 4.4831 4.4831 5.0909 5.0909 5.5001 5.5001 7.2419 7.2419 8.4581 8.4581 8.7096 8.7096 9.0571 9.0571 9.1597 9.1597 k = 0.0000 0.0000 0.2870 ( 19344 PWs) bands (ev): -14.8009 -14.8009 -14.7527 -14.7527 -5.4351 -5.4351 -4.7895 -4.7895 -3.6281 -3.6281 -3.5307 -3.5307 -2.3097 -2.3097 -2.1610 -2.1610 -2.1071 -2.1071 -2.0824 -2.0824 0.1677 0.1677 0.6118 0.6118 0.9135 0.9135 1.2685 1.2685 1.4322 1.4322 2.2518 2.2518 2.3716 2.3716 2.7051 2.7051 2.8725 2.8725 3.0345 3.0345 3.1647 3.1647 3.3361 3.3361 3.7001 3.7001 4.4782 4.4782 5.0925 5.0925 5.4937 5.4937 7.2932 7.2932 8.5768 8.5768 8.7430 8.7430 9.1097 9.1097 9.2370 9.2370 k = 0.0000 0.0000 0.3039 ( 19342 PWs) bands (ev): -14.8005 -14.8005 -14.7531 -14.7531 -5.4300 -5.4300 -4.7987 -4.7987 -3.6241 -3.6241 -3.5333 -3.5333 -2.3006 -2.3006 -2.1605 -2.1605 -2.1072 -2.1072 -2.0896 -2.0896 0.1721 0.1721 0.6142 0.6142 0.9179 0.9179 1.2758 1.2758 1.4328 1.4328 2.2533 2.2533 2.3702 2.3702 2.7056 2.7056 2.8730 2.8730 3.0337 3.0337 3.1306 3.1306 3.3357 3.3357 3.6790 3.6790 4.4740 4.4740 5.0935 5.0935 5.4886 5.4886 7.3390 7.3390 8.6942 8.6942 8.7755 8.7755 9.1523 9.1523 9.3068 9.3068 k = 0.0000 0.0000 0.3207 ( 19332 PWs) bands (ev): -14.8002 -14.8002 -14.7534 -14.7534 -5.4258 -5.4258 -4.8061 -4.8061 -3.6208 -3.6208 -3.5355 -3.5355 -2.2930 -2.2930 -2.1602 -2.1602 -2.1071 -2.1071 -2.0958 -2.0958 0.1755 0.1755 0.6161 0.6161 0.9215 0.9215 1.2819 1.2819 1.4333 1.4333 2.2544 2.2544 2.3694 2.3694 2.7059 2.7059 2.8738 2.8738 3.0331 3.0331 3.1024 3.1024 3.3354 3.3354 3.6624 3.6624 4.4706 4.4706 5.0941 5.0941 5.4848 5.4848 7.3773 7.3773 8.7912 8.7912 8.8220 8.8220 9.1854 9.1854 9.3569 9.3569 k = 0.0000 0.0000 0.3376 ( 19338 PWs) bands (ev): -14.8000 -14.8000 -14.7536 -14.7536 -5.4227 -5.4227 -4.8115 -4.8115 -3.6183 -3.6183 -3.5372 -3.5372 -2.2872 -2.2872 -2.1600 -2.1600 -2.1070 -2.1070 -2.1006 -2.1006 0.1780 0.1780 0.6175 0.6175 0.9241 0.9241 1.2866 1.2866 1.4337 1.4337 2.2552 2.2552 2.3691 2.3691 2.7062 2.7062 2.8747 2.8747 3.0327 3.0327 3.0811 3.0811 3.3352 3.3352 3.6504 3.6504 4.4682 4.4682 5.0944 5.0944 5.4822 5.4822 7.4063 7.4063 8.8217 8.8217 8.9202 8.9202 9.2089 9.2089 9.3764 9.3764 k = 0.0000 0.0000 0.3545 ( 19342 PWs) bands (ev): -14.7998 -14.7998 -14.7538 -14.7538 -5.4208 -5.4208 -4.8148 -4.8148 -3.6168 -3.6168 -3.5383 -3.5383 -2.2835 -2.2835 -2.1599 -2.1599 -2.1067 -2.1067 -2.1039 -2.1039 0.1795 0.1795 0.6183 0.6183 0.9256 0.9256 1.2896 1.2896 1.4339 1.4339 2.2557 2.2557 2.3689 2.3689 2.7064 2.7064 2.8754 2.8754 3.0325 3.0325 3.0679 3.0679 3.3351 3.3351 3.6432 3.6432 4.4667 4.4667 5.0946 5.0946 5.4806 5.4806 7.4244 7.4244 8.8378 8.8378 9.0025 9.0025 9.2228 9.2228 9.3757 9.3757 k = 0.0000 0.0000 0.3714 ( 19318 PWs) bands (ev): -14.7998 -14.7998 -14.7538 -14.7538 -5.4202 -5.4202 -4.8160 -4.8160 -3.6163 -3.6163 -3.5387 -3.5387 -2.2822 -2.2822 -2.1599 -2.1599 -2.1062 -2.1062 -2.1053 -2.1053 0.1800 0.1800 0.6186 0.6186 0.9262 0.9262 1.2906 1.2906 1.4340 1.4340 2.2558 2.2558 2.3689 2.3689 2.7064 2.7064 2.8756 2.8756 3.0325 3.0325 3.0634 3.0634 3.3351 3.3351 3.6408 3.6408 4.4662 4.4662 5.0946 5.0946 5.4801 5.4801 7.4306 7.4306 8.8434 8.8434 9.0365 9.0365 9.2273 9.2273 9.3703 9.3703 k = 0.0000 0.0000 0.3714 ( 19318 PWs) bands (ev): -14.7998 -14.7998 -14.7538 -14.7538 -5.4202 -5.4202 -4.8160 -4.8160 -3.6163 -3.6163 -3.5387 -3.5387 -2.2822 -2.2822 -2.1599 -2.1599 -2.1062 -2.1062 -2.1053 -2.1053 0.1800 0.1800 0.6186 0.6186 0.9262 0.9262 1.2906 1.2906 1.4340 1.4340 2.2558 2.2558 2.3689 2.3689 2.7064 2.7064 2.8756 2.8756 3.0325 3.0325 3.0634 3.0634 3.3351 3.3351 3.6408 3.6408 4.4662 4.4662 5.0946 5.0946 5.4801 5.4801 7.4306 7.4306 8.8434 8.8434 9.0365 9.0365 9.2273 9.2273 9.3703 9.3703 k = 0.0167-0.0000 0.3714 ( 19330 PWs) bands (ev): -14.7998 -14.7998 -14.7538 -14.7538 -5.4201 -5.4201 -4.8161 -4.8161 -3.6164 -3.6164 -3.5385 -3.5385 -2.2823 -2.2823 -2.1597 -2.1597 -2.1070 -2.1070 -2.1048 -2.1048 0.1800 0.1800 0.6185 0.6185 0.9260 0.9260 1.2905 1.2905 1.4339 1.4339 2.2560 2.2560 2.3692 2.3692 2.7062 2.7062 2.8756 2.8756 3.0322 3.0322 3.0645 3.0645 3.3352 3.3352 3.6400 3.6400 4.4644 4.4644 5.0941 5.0941 5.4779 5.4779 7.4314 7.4314 8.8483 8.8483 9.0357 9.0357 9.2302 9.2302 9.3717 9.3717 k = 0.0333-0.0000 0.3714 ( 19358 PWs) bands (ev): -14.7997 -14.7997 -14.7537 -14.7537 -5.4199 -5.4199 -4.8167 -4.8167 -3.6169 -3.6169 -3.5379 -3.5379 -2.2824 -2.2824 -2.1593 -2.1593 -2.1086 -2.1086 -2.1041 -2.1041 0.1801 0.1801 0.6185 0.6185 0.9256 0.9256 1.2904 1.2904 1.4337 1.4337 2.2567 2.2567 2.3701 2.3701 2.7054 2.7054 2.8757 2.8757 3.0318 3.0318 3.0677 3.0677 3.3355 3.3355 3.6378 3.6378 4.4591 4.4591 5.0924 5.0924 5.4716 5.4716 7.4337 7.4337 8.8626 8.8626 9.0334 9.0334 9.2377 9.2377 9.3758 9.3758 k = 0.0500-0.0000 0.3714 ( 19350 PWs) bands (ev): -14.7997 -14.7997 -14.7536 -14.7536 -5.4195 -5.4195 -4.8175 -4.8175 -3.6176 -3.6176 -3.5369 -3.5369 -2.2827 -2.2827 -2.1586 -2.1586 -2.1108 -2.1108 -2.1032 -2.1032 0.1801 0.1801 0.6183 0.6183 0.9250 0.9250 1.2903 1.2903 1.4333 1.4333 2.2577 2.2577 2.3716 2.3716 2.7040 2.7040 2.8758 2.8758 3.0314 3.0314 3.0726 3.0726 3.3359 3.3359 3.6341 3.6341 4.4503 4.4503 5.0895 5.0895 5.4614 5.4614 7.4374 7.4374 8.8855 8.8855 9.0308 9.0308 9.2452 9.2452 9.3819 9.3819 k = 0.0667-0.0000 0.3714 ( 19332 PWs) bands (ev): -14.7996 -14.7996 -14.7535 -14.7535 -5.4191 -5.4191 -4.8187 -4.8187 -3.6186 -3.6186 -3.5355 -3.5355 -2.2831 -2.2831 -2.1578 -2.1578 -2.1136 -2.1136 -2.1020 -2.1020 0.1802 0.1802 0.6181 0.6181 0.9241 0.9241 1.2901 1.2901 1.4328 1.4328 2.2591 2.2591 2.3738 2.3738 2.7023 2.7023 2.8759 2.8759 3.0314 3.0314 3.0786 3.0786 3.3366 3.3366 3.6290 3.6290 4.4383 4.4383 5.0855 5.0855 5.4476 5.4476 7.4423 7.4423 8.9147 8.9147 9.0303 9.0303 9.2405 9.2405 9.3857 9.3860 k = 0.0833-0.0000 0.3714 ( 19326 PWs) bands (ev): -14.7994 -14.7994 -14.7534 -14.7534 -5.4184 -5.4184 -4.8202 -4.8202 -3.6198 -3.6198 -3.5338 -3.5338 -2.2835 -2.2835 -2.1568 -2.1568 -2.1170 -2.1170 -2.1006 -2.1006 0.1803 0.1803 0.6179 0.6179 0.9229 0.9229 1.2898 1.2898 1.4321 1.4321 2.2607 2.2607 2.3766 2.3766 2.7002 2.7002 2.8760 2.8760 3.0319 3.0319 3.0856 3.0856 3.3374 3.3374 3.6225 3.6225 4.4233 4.4233 5.0802 5.0802 5.4308 5.4308 7.4481 7.4481 8.9438 8.9438 9.0383 9.0383 9.2088 9.2088 9.3877 9.3877 k = 0.1000-0.0000 0.3714 ( 19322 PWs) bands (ev): -14.7993 -14.7993 -14.7532 -14.7532 -5.4177 -5.4177 -4.8220 -4.8220 -3.6213 -3.6213 -3.5317 -3.5317 -2.2840 -2.2840 -2.1558 -2.1558 -2.1209 -2.1209 -2.0989 -2.0989 0.1803 0.1803 0.6175 0.6175 0.9215 0.9215 1.2894 1.2894 1.4313 1.4313 2.2624 2.2624 2.3801 2.3801 2.6979 2.6979 2.8763 2.8763 3.0331 3.0331 3.0931 3.0931 3.3384 3.3384 3.6149 3.6149 4.4054 4.4054 5.0738 5.0738 5.4116 5.4116 7.4546 7.4546 8.9613 8.9613 9.0660 9.0660 9.1543 9.1543 9.3967 9.3967 k = 0.1167-0.0000 0.3714 ( 19318 PWs) bands (ev): -14.7991 -14.7991 -14.7530 -14.7530 -5.4168 -5.4168 -4.8241 -4.8241 -3.6229 -3.6229 -3.5295 -3.5295 -2.2846 -2.2846 -2.1552 -2.1552 -2.1249 -2.1249 -2.0970 -2.0970 0.1804 0.1804 0.6171 0.6171 0.9198 0.9198 1.2890 1.2890 1.4305 1.4305 2.2642 2.2642 2.3843 2.3843 2.6955 2.6955 2.8766 2.8766 3.0351 3.0351 3.1009 3.1009 3.3396 3.3396 3.6063 3.6063 4.3851 4.3851 5.0661 5.0661 5.3906 5.3906 7.4616 7.4616 8.9650 8.9650 9.0797 9.0797 9.1234 9.1234 9.4045 9.4045 k = 0.1333-0.0000 0.3714 ( 19326 PWs) bands (ev): -14.7989 -14.7989 -14.7528 -14.7528 -5.4159 -5.4159 -4.8265 -4.8265 -3.6247 -3.6247 -3.5269 -3.5269 -2.2852 -2.2852 -2.1552 -2.1552 -2.1287 -2.1287 -2.0948 -2.0948 0.1805 0.1805 0.6166 0.6166 0.9179 0.9179 1.2886 1.2886 1.4295 1.4295 2.2659 2.2659 2.3891 2.3891 2.6929 2.6929 2.8771 2.8771 3.0377 3.0377 3.1088 3.1088 3.3411 3.3411 3.5967 3.5967 4.3627 4.3627 5.0571 5.0571 5.3685 5.3685 7.4686 7.4686 8.9625 8.9625 9.0084 9.0084 9.1851 9.1851 9.4099 9.4099 k = 0.1500-0.0000 0.3714 ( 19324 PWs) bands (ev): -14.7987 -14.7987 -14.7525 -14.7525 -5.4148 -5.4148 -4.8290 -4.8290 -3.6265 -3.6265 -3.5242 -3.5242 -2.2858 -2.2858 -2.1566 -2.1566 -2.1314 -2.1314 -2.0923 -2.0923 0.1806 0.1806 0.6161 0.6161 0.9157 0.9157 1.2881 1.2881 1.4284 1.4284 2.2674 2.2674 2.3945 2.3945 2.6905 2.6905 2.8777 2.8777 3.0410 3.0410 3.1165 3.1165 3.3427 3.3427 3.5864 3.5864 4.3384 4.3384 5.0469 5.0469 5.3459 5.3459 7.4757 7.4757 8.9304 8.9304 8.9584 8.9584 9.2584 9.2584 9.4132 9.4132 k = 0.1667-0.0000 0.3714 ( 19324 PWs) bands (ev): -14.7985 -14.7985 -14.7523 -14.7523 -5.4137 -5.4137 -4.8318 -4.8318 -3.6285 -3.6285 -3.5213 -3.5213 -2.2864 -2.2864 -2.1598 -2.1598 -2.1326 -2.1326 -2.0896 -2.0896 0.1806 0.1806 0.6155 0.6155 0.9133 0.9133 1.2875 1.2875 1.4273 1.4273 2.2688 2.2688 2.4004 2.4004 2.6881 2.6881 2.8784 2.8784 3.0449 3.0449 3.1239 3.1239 3.3445 3.3445 3.5755 3.5755 4.3127 4.3127 5.0354 5.0354 5.3235 5.3235 7.4825 7.4825 8.8506 8.8506 8.9540 8.9540 9.3342 9.3342 9.4181 9.4181 k = 0.1833-0.0000 0.3714 ( 19312 PWs) bands (ev): -14.7982 -14.7982 -14.7520 -14.7520 -5.4125 -5.4125 -4.8348 -4.8348 -3.6306 -3.6306 -3.5183 -3.5183 -2.2871 -2.2871 -2.1648 -2.1648 -2.1324 -2.1324 -2.0867 -2.0867 0.1806 0.1806 0.6148 0.6148 0.9107 0.9107 1.2869 1.2869 1.4261 1.4261 2.2700 2.2700 2.4067 2.4067 2.6859 2.6859 2.8793 2.8793 3.0495 3.0495 3.1308 3.1308 3.3466 3.3466 3.5642 3.5642 4.2859 4.2859 5.0227 5.0227 5.3017 5.3017 7.4889 7.4889 8.7702 8.7702 8.9504 8.9504 9.3799 9.3799 9.4549 9.4549 k = 0.2000-0.0000 0.3714 ( 19336 PWs) bands (ev): -14.7980 -14.7980 -14.7517 -14.7517 -5.4112 -5.4112 -4.8379 -4.8379 -3.6327 -3.6327 -3.5152 -3.5152 -2.2877 -2.2877 -2.1709 -2.1709 -2.1312 -2.1312 -2.0835 -2.0835 0.1806 0.1806 0.6140 0.6140 0.9079 0.9079 1.2863 1.2863 1.4249 1.4249 2.2710 2.2710 2.4133 2.4133 2.6839 2.6839 2.8804 2.8804 3.0545 3.0545 3.1371 3.1371 3.3488 3.3488 3.5527 3.5527 4.2583 4.2583 5.0089 5.0089 5.2809 5.2809 7.4949 7.4949 8.6903 8.6903 8.9480 8.9480 9.3804 9.3804 9.5347 9.5347 k = 0.2167-0.0000 0.3714 ( 19332 PWs) bands (ev): -14.7977 -14.7977 -14.7514 -14.7514 -5.4099 -5.4099 -4.8410 -4.8410 -3.6349 -3.6349 -3.5121 -3.5121 -2.2884 -2.2884 -2.1778 -2.1778 -2.1294 -2.1294 -2.0803 -2.0803 0.1806 0.1806 0.6131 0.6131 0.9050 0.9050 1.2856 1.2856 1.4237 1.4237 2.2717 2.2717 2.4200 2.4200 2.6821 2.6821 2.8818 2.8818 3.0600 3.0600 3.1426 3.1426 3.3512 3.3512 3.5412 3.5412 4.2304 4.2304 4.9941 4.9941 5.2614 5.2614 7.5003 7.5003 8.6117 8.6117 8.9469 8.9469 9.3700 9.3700 9.5912 9.5912 k = 0.2333-0.0000 0.3714 ( 19328 PWs) bands (ev): -14.7974 -14.7974 -14.7511 -14.7511 -5.4086 -5.4086 -4.8443 -4.8443 -3.6370 -3.6370 -3.5089 -3.5089 -2.2890 -2.2890 -2.1850 -2.1850 -2.1273 -2.1273 -2.0769 -2.0769 0.1805 0.1805 0.6123 0.6123 0.9018 0.9018 1.2849 1.2849 1.4225 1.4225 2.2723 2.2723 2.4267 2.4267 2.6806 2.6806 2.8833 2.8833 3.0657 3.0657 3.1473 3.1473 3.3537 3.3537 3.5300 3.5300 4.2023 4.2023 4.9786 4.9786 5.2435 5.2435 7.5052 7.5052 8.5350 8.5350 8.9474 8.9474 9.3556 9.3556 9.6127 9.6127 k = 0.2500-0.0000 0.3714 ( 19318 PWs) bands (ev): -14.7971 -14.7971 -14.7507 -14.7507 -5.4072 -5.4072 -4.8476 -4.8476 -3.6392 -3.6392 -3.5057 -3.5057 -2.2896 -2.2896 -2.1925 -2.1925 -2.1250 -2.1250 -2.0733 -2.0733 0.1804 0.1804 0.6113 0.6113 0.8986 0.8986 1.2841 1.2841 1.4213 1.4213 2.2726 2.2726 2.4334 2.4334 2.6794 2.6794 2.8850 2.8850 3.0715 3.0715 3.1512 3.1512 3.3564 3.3564 3.5190 3.5190 4.1745 4.1745 4.9626 4.9626 5.2271 5.2271 7.5096 7.5096 8.4607 8.4607 8.9495 8.9495 9.3389 9.3389 9.6303 9.6303 k = 0.2667-0.0000 0.3714 ( 19336 PWs) bands (ev): -14.7969 -14.7969 -14.7504 -14.7504 -5.4059 -5.4059 -4.8509 -4.8509 -3.6413 -3.6413 -3.5026 -3.5026 -2.2902 -2.2902 -2.2000 -2.2000 -2.1227 -2.1227 -2.0698 -2.0698 0.1803 0.1803 0.6103 0.6103 0.8953 0.8953 1.2833 1.2833 1.4202 1.4202 2.2729 2.2729 2.4398 2.4398 2.6784 2.6784 2.8869 2.8869 3.0773 3.0773 3.1544 3.1544 3.3593 3.3593 3.5086 3.5086 4.1471 4.1471 4.9465 4.9465 5.2123 5.2123 7.5134 7.5134 8.3894 8.3894 8.9532 8.9532 9.3209 9.3209 9.6457 9.6457 k = 0.2833-0.0000 0.3714 ( 19352 PWs) bands (ev): -14.7966 -14.7966 -14.7501 -14.7501 -5.4046 -5.4046 -4.8542 -4.8542 -3.6433 -3.6433 -3.4995 -3.4995 -2.2908 -2.2908 -2.2074 -2.2074 -2.1203 -2.1203 -2.0662 -2.0662 0.1801 0.1801 0.6093 0.6093 0.8920 0.8920 1.2825 1.2825 1.4192 1.4192 2.2730 2.2730 2.4459 2.4459 2.6777 2.6777 2.8890 2.8890 3.0828 3.0828 3.1570 3.1570 3.3622 3.3622 3.4987 3.4987 4.1205 4.1205 4.9305 4.9305 5.1990 5.1990 7.5166 7.5166 8.3215 8.3215 8.9586 8.9586 9.3022 9.3022 9.6570 9.6570 k = 0.3000-0.0000 0.3714 ( 19338 PWs) bands (ev): -14.7963 -14.7963 -14.7498 -14.7498 -5.4033 -5.4033 -4.8573 -4.8573 -3.6453 -3.6453 -3.4966 -3.4966 -2.2913 -2.2913 -2.2145 -2.2145 -2.1180 -2.1180 -2.0626 -2.0626 0.1799 0.1799 0.6083 0.6083 0.8887 0.8887 1.2817 1.2817 1.4182 1.4182 2.2730 2.2730 2.4516 2.4516 2.6771 2.6771 2.8913 2.8913 3.0877 3.0877 3.1592 3.1592 3.3653 3.3653 3.4895 3.4895 4.0949 4.0949 4.9150 4.9150 5.1871 5.1871 7.5194 7.5194 8.2573 8.2573 8.9655 8.9655 9.2833 9.2833 9.6621 9.6621 k = 0.3167-0.0000 0.3714 ( 19334 PWs) bands (ev): -14.7961 -14.7961 -14.7495 -14.7495 -5.4020 -5.4020 -4.8604 -4.8604 -3.6472 -3.6472 -3.4937 -3.4937 -2.2918 -2.2918 -2.2214 -2.2214 -2.1158 -2.1158 -2.0592 -2.0592 0.1797 0.1797 0.6072 0.6072 0.8854 0.8854 1.2809 1.2809 1.4172 1.4172 2.2729 2.2729 2.4568 2.4568 2.6768 2.6768 2.8937 2.8937 3.0919 3.0919 3.1613 3.1613 3.3684 3.3684 3.4811 3.4811 4.0705 4.0705 4.9001 4.9001 5.1765 5.1765 7.5217 7.5217 8.1973 8.1973 8.9740 8.9740 9.2647 9.2647 9.6602 9.6602 k = 0.3333-0.0000 0.3714 ( 19344 PWs) bands (ev): -14.7958 -14.7958 -14.7492 -14.7492 -5.4008 -5.4008 -4.8633 -4.8633 -3.6490 -3.6490 -3.4910 -3.4910 -2.2924 -2.2924 -2.2279 -2.2279 -2.1137 -2.1137 -2.0558 -2.0558 0.1794 0.1794 0.6062 0.6062 0.8822 0.8822 1.2802 1.2802 1.4164 1.4164 2.2728 2.2728 2.4616 2.4616 2.6766 2.6766 2.8962 2.8962 3.0949 3.0949 3.1633 3.1633 3.3717 3.3717 3.4734 3.4734 4.0476 4.0476 4.8861 4.8861 5.1671 5.1671 7.5236 7.5236 8.1416 8.1416 8.9838 8.9838 9.2465 9.2465 9.6527 9.6527 k = 0.3500-0.0000 0.3714 ( 19344 PWs) bands (ev): -14.7956 -14.7956 -14.7490 -14.7490 -5.3997 -5.3997 -4.8661 -4.8661 -3.6506 -3.6506 -3.4885 -3.4885 -2.2929 -2.2929 -2.2339 -2.2339 -2.1117 -2.1117 -2.0526 -2.0526 0.1791 0.1791 0.6053 0.6053 0.8791 0.8791 1.2794 1.2794 1.4157 1.4157 2.2727 2.2727 2.4659 2.4659 2.6765 2.6765 2.8987 2.8987 3.0968 3.0968 3.1657 3.1657 3.3750 3.3750 3.4665 3.4665 4.0262 4.0262 4.8731 4.8731 5.1589 5.1589 7.5250 7.5250 8.0906 8.0906 8.9950 8.9950 9.2291 9.2291 9.6410 9.6410 k = 0.3667-0.0000 0.3714 ( 19324 PWs) bands (ev): -14.7954 -14.7954 -14.7487 -14.7487 -5.3987 -5.3987 -4.8686 -4.8686 -3.6522 -3.6522 -3.4862 -3.4862 -2.2934 -2.2934 -2.2394 -2.2394 -2.1099 -2.1099 -2.0496 -2.0496 0.1789 0.1789 0.6043 0.6043 0.8762 0.8762 1.2786 1.2786 1.4150 1.4150 2.2725 2.2725 2.4697 2.4697 2.6765 2.6765 2.9012 2.9012 3.0975 3.0975 3.1683 3.1683 3.3783 3.3783 3.4604 3.4604 4.0066 4.0066 4.8613 4.8613 5.1517 5.1517 7.5261 7.5261 8.0445 8.0445 9.0072 9.0072 9.2127 9.2127 9.6267 9.6267 k = 0.3833-0.0000 0.3714 ( 19316 PWs) bands (ev): -14.7952 -14.7952 -14.7485 -14.7485 -5.3977 -5.3977 -4.8710 -4.8710 -3.6535 -3.6535 -3.4840 -3.4840 -2.2939 -2.2939 -2.2443 -2.2443 -2.1083 -2.1083 -2.0469 -2.0469 0.1786 0.1786 0.6035 0.6035 0.8736 0.8736 1.2780 1.2780 1.4144 1.4144 2.2723 2.2723 2.4731 2.4731 2.6765 2.6765 2.9036 2.9036 3.0972 3.0972 3.1712 3.1712 3.3815 3.3815 3.4549 3.4549 3.9890 3.9890 4.8509 4.8509 5.1454 5.1454 7.5268 7.5268 8.0035 8.0035 9.0202 9.0202 9.1974 9.1974 9.6108 9.6108 k = 0.4000-0.0000 0.3714 ( 19324 PWs) bands (ev): -14.7950 -14.7950 -14.7483 -14.7483 -5.3969 -5.3969 -4.8730 -4.8730 -3.6548 -3.6548 -3.4822 -3.4822 -2.2944 -2.2944 -2.2486 -2.2486 -2.1068 -2.1068 -2.0444 -2.0444 0.1784 0.1784 0.6027 0.6027 0.8712 0.8712 1.2773 1.2773 1.4139 1.4139 2.2722 2.2722 2.4759 2.4759 2.6766 2.6766 2.9059 2.9059 3.0962 3.0962 3.1742 3.1742 3.3847 3.3847 3.4502 3.4502 3.9734 3.9734 4.8417 4.8417 5.1401 5.1401 7.5271 7.5271 7.9679 7.9679 9.0338 9.0338 9.1831 9.1831 9.5944 9.5944 k = 0.4167-0.0000 0.3714 ( 19356 PWs) bands (ev): -14.7949 -14.7949 -14.7481 -14.7481 -5.3962 -5.3962 -4.8748 -4.8748 -3.6558 -3.6558 -3.4806 -3.4806 -2.2949 -2.2949 -2.2522 -2.2522 -2.1056 -2.1056 -2.0423 -2.0423 0.1781 0.1781 0.6020 0.6020 0.8691 0.8691 1.2768 1.2768 1.4135 1.4135 2.2721 2.2721 2.4783 2.4783 2.6767 2.6767 2.9079 2.9079 3.0946 3.0946 3.1770 3.1770 3.3877 3.3877 3.4461 3.4461 3.9600 3.9600 4.8339 4.8339 5.1356 5.1356 7.5273 7.5273 7.9376 7.9376 9.0477 9.0477 9.1700 9.1700 9.5783 9.5783 k = 0.4333-0.0000 0.3714 ( 19338 PWs) bands (ev): -14.7947 -14.7947 -14.7480 -14.7480 -5.3956 -5.3956 -4.8763 -4.8763 -3.6567 -3.6567 -3.4792 -3.4792 -2.2953 -2.2953 -2.2552 -2.2552 -2.1045 -2.1045 -2.0405 -2.0405 0.1779 0.1779 0.6014 0.6014 0.8673 0.8673 1.2763 1.2763 1.4132 1.4132 2.2719 2.2719 2.4802 2.4802 2.6769 2.6769 2.9097 2.9097 3.0929 3.0929 3.1796 3.1796 3.3903 3.3903 3.4428 3.4428 3.9489 3.9489 4.8275 4.8275 5.1320 5.1320 7.5272 7.5272 7.9129 7.9129 9.0614 9.0614 9.1579 9.1579 9.5634 9.5634 k = 0.4500-0.0000 0.3714 ( 19330 PWs) bands (ev): -14.7946 -14.7946 -14.7478 -14.7478 -5.3951 -5.3951 -4.8775 -4.8775 -3.6574 -3.6574 -3.4782 -3.4782 -2.2957 -2.2957 -2.2575 -2.2575 -2.1037 -2.1037 -2.0391 -2.0391 0.1778 0.1778 0.6010 0.6010 0.8659 0.8659 1.2759 1.2759 1.4130 1.4130 2.2718 2.2718 2.4816 2.4816 2.6770 2.6770 2.9112 2.9112 3.0913 3.0913 3.1817 3.1817 3.3926 3.3926 3.4401 3.4401 3.9402 3.9402 4.8226 4.8226 5.1292 5.1292 7.5269 7.5269 7.8937 7.8937 9.0748 9.0748 9.1466 9.1466 9.5507 9.5507 k = 0.4667-0.0000 0.3714 ( 19316 PWs) bands (ev): -14.7946 -14.7946 -14.7478 -14.7478 -5.3947 -5.3947 -4.8783 -4.8783 -3.6579 -3.6579 -3.4774 -3.4774 -2.2960 -2.2960 -2.2591 -2.2591 -2.1031 -2.1031 -2.0380 -2.0380 0.1777 0.1777 0.6006 0.6006 0.8649 0.8649 1.2756 1.2756 1.4128 1.4128 2.2718 2.2718 2.4827 2.4827 2.6771 2.6771 2.9122 2.9122 3.0900 3.0900 3.1833 3.1833 3.3943 3.3943 3.4381 3.4381 3.9339 3.9339 4.8190 4.8190 5.1272 5.1272 7.5267 7.5267 7.8800 7.8800 9.0874 9.0874 9.1360 9.1360 9.5409 9.5409 k = 0.4833-0.0000 0.3714 ( 19312 PWs) bands (ev): -14.7945 -14.7945 -14.7477 -14.7477 -5.3945 -5.3945 -4.8788 -4.8788 -3.6582 -3.6582 -3.4769 -3.4769 -2.2962 -2.2962 -2.2601 -2.2601 -2.1028 -2.1028 -2.0374 -2.0374 0.1776 0.1776 0.6004 0.6004 0.8643 0.8643 1.2755 1.2755 1.4127 1.4127 2.2717 2.2717 2.4833 2.4833 2.6771 2.6771 2.9129 2.9129 3.0892 3.0892 3.1843 3.1843 3.3954 3.3954 3.4369 3.4369 3.9301 3.9301 4.8169 4.8169 5.1260 5.1260 7.5265 7.5265 7.8718 7.8718 9.0986 9.0986 9.1263 9.1263 9.5348 9.5348 k = 0.5000-0.0000 0.3714 ( 19292 PWs) bands (ev): -14.7945 -14.7945 -14.7477 -14.7477 -5.3945 -5.3945 -4.8790 -4.8790 -3.6583 -3.6583 -3.4768 -3.4768 -2.2963 -2.2963 -2.2604 -2.2604 -2.1026 -2.1026 -2.0372 -2.0372 0.1776 0.1776 0.6004 0.6004 0.8641 0.8641 1.2754 1.2754 1.4127 1.4127 2.2717 2.2717 2.4835 2.4835 2.6771 2.6771 2.9131 2.9131 3.0889 3.0889 3.1847 3.1847 3.3958 3.3958 3.4365 3.4365 3.9288 3.9288 4.8162 4.8162 5.1256 5.1256 7.5264 7.5264 7.8690 7.8690 9.1048 9.1048 9.1206 9.1206 9.5326 9.5326 k = 0.5000-0.0000 0.3714 ( 19292 PWs) bands (ev): -14.7945 -14.7945 -14.7477 -14.7477 -5.3945 -5.3945 -4.8790 -4.8790 -3.6583 -3.6583 -3.4768 -3.4768 -2.2963 -2.2963 -2.2604 -2.2604 -2.1026 -2.1026 -2.0372 -2.0372 0.1776 0.1776 0.6004 0.6004 0.8641 0.8641 1.2754 1.2754 1.4127 1.4127 2.2717 2.2717 2.4835 2.4835 2.6771 2.6771 2.9131 2.9131 3.0889 3.0889 3.1847 3.1847 3.3958 3.3958 3.4365 3.4365 3.9288 3.9288 4.8162 4.8162 5.1256 5.1256 7.5264 7.5264 7.8690 7.8690 9.1048 9.1048 9.1206 9.1206 9.5326 9.5326 k = 0.5000 0.0165 0.3714 ( 19296 PWs) bands (ev): -14.7945 -14.7945 -14.7477 -14.7477 -5.3938 -5.3938 -4.8792 -4.8792 -3.6584 -3.6584 -3.4773 -3.4773 -2.2964 -2.2964 -2.2610 -2.2610 -2.1028 -2.1028 -2.0373 -2.0373 0.1786 0.1786 0.6016 0.6016 0.8642 0.8642 1.2753 1.2753 1.4127 1.4127 2.2705 2.2705 2.4827 2.4827 2.6765 2.6765 2.9018 2.9018 3.0952 3.0952 3.1913 3.1913 3.3914 3.3914 3.4422 3.4422 3.9319 3.9319 4.8160 4.8160 5.1216 5.1216 7.5314 7.5314 7.8687 7.8687 9.0939 9.0939 9.1158 9.1158 9.5244 9.5244 k = 0.5000 0.0330 0.3714 ( 19296 PWs) bands (ev): -14.7943 -14.7943 -14.7479 -14.7479 -5.3918 -5.3918 -4.8797 -4.8797 -3.6586 -3.6586 -3.4789 -3.4789 -2.2969 -2.2969 -2.2628 -2.2628 -2.1033 -2.1033 -2.0376 -2.0376 0.1816 0.1816 0.6052 0.6052 0.8648 0.8648 1.2751 1.2751 1.4128 1.4128 2.2670 2.2670 2.4802 2.4802 2.6746 2.6746 2.8740 2.8740 3.1061 3.1061 3.2127 3.2127 3.3822 3.3822 3.4558 3.4558 3.9411 3.9411 4.8153 4.8153 5.1100 5.1100 7.5460 7.5460 7.8679 7.8679 9.0651 9.0651 9.0988 9.0988 9.5003 9.5003 k = 0.5000 0.0495 0.3714 ( 19304 PWs) bands (ev): -14.7941 -14.7941 -14.7481 -14.7481 -5.3886 -5.3886 -4.8805 -4.8805 -3.6590 -3.6590 -3.4815 -3.4815 -2.2977 -2.2977 -2.2657 -2.2657 -2.1041 -2.1041 -2.0380 -2.0380 0.1866 0.1866 0.6112 0.6112 0.8658 0.8658 1.2747 1.2747 1.4129 1.4129 2.2611 2.2611 2.4762 2.4762 2.6713 2.6713 2.8396 2.8396 3.1126 3.1126 3.2480 3.2480 3.3718 3.3718 3.4737 3.4737 3.9560 3.9560 4.8137 4.8137 5.0919 5.0919 7.5689 7.5689 7.8670 7.8670 9.0223 9.0223 9.0682 9.0682 9.4626 9.4626 k = 0.5000 0.0660 0.3714 ( 19288 PWs) bands (ev): -14.7938 -14.7938 -14.7483 -14.7483 -5.3840 -5.3840 -4.8818 -4.8818 -3.6594 -3.6594 -3.4850 -3.4850 -2.2988 -2.2988 -2.2697 -2.2697 -2.1052 -2.1052 -2.0386 -2.0386 0.1935 0.1935 0.6195 0.6195 0.8671 0.8671 1.2743 1.2743 1.4131 1.4131 2.2527 2.2527 2.4709 2.4709 2.6658 2.6658 2.8045 2.8045 3.1144 3.1144 3.2900 3.2900 3.3632 3.3632 3.4950 3.4950 3.9764 3.9764 4.8106 4.8106 5.0693 5.0693 7.5979 7.5979 7.8666 7.8666 8.9681 8.9681 9.0252 9.0252 9.4145 9.4145 k = 0.5000 0.0825 0.3714 ( 19308 PWs) bands (ev): -14.7934 -14.7934 -14.7487 -14.7487 -5.3782 -5.3782 -4.8834 -4.8834 -3.6600 -3.6600 -3.4896 -3.4896 -2.3005 -2.3005 -2.2746 -2.2746 -2.1066 -2.1066 -2.0391 -2.0391 0.2023 0.2023 0.6298 0.6298 0.8688 0.8688 1.2739 1.2739 1.4133 1.4133 2.2419 2.2419 2.4642 2.4642 2.6573 2.6573 2.7724 2.7724 3.1132 3.1132 3.3225 3.3225 3.3676 3.3676 3.5200 3.5200 4.0018 4.0018 4.8050 4.8050 5.0450 5.0450 7.6300 7.6300 7.8678 7.8678 8.9050 8.9050 8.9714 8.9714 9.3594 9.3594 k = 0.5000 0.0990 0.3714 ( 19312 PWs) bands (ev): -14.7929 -14.7929 -14.7491 -14.7491 -5.3712 -5.3712 -4.8854 -4.8854 -3.6608 -3.6608 -3.4950 -3.4950 -2.3027 -2.3027 -2.2804 -2.2804 -2.1082 -2.1082 -2.0397 -2.0397 0.2130 0.2130 0.6420 0.6420 0.8709 0.8709 1.2737 1.2737 1.4137 1.4137 2.2285 2.2285 2.4564 2.4564 2.6442 2.6442 2.7464 2.7464 3.1103 3.1103 3.3235 3.3235 3.4023 3.4023 3.5500 3.5500 4.0317 4.0317 4.7956 4.7956 5.0218 5.0218 7.6611 7.6611 7.8723 7.8723 8.8353 8.8353 8.9087 8.9087 9.3012 9.3012 k = 0.5000 0.1155 0.3714 ( 19324 PWs) bands (ev): -14.7923 -14.7923 -14.7496 -14.7496 -5.3629 -5.3629 -4.8879 -4.8879 -3.6615 -3.6615 -3.5012 -3.5012 -2.3055 -2.3055 -2.2869 -2.2869 -2.1099 -2.1099 -2.0403 -2.0403 0.2253 0.2253 0.6559 0.6559 0.8734 0.8734 1.2737 1.2737 1.4141 1.4141 2.2124 2.2124 2.4476 2.4476 2.6260 2.6260 2.7282 2.7282 3.1064 3.1064 3.3138 3.3138 3.4416 3.4416 3.5873 3.5873 4.0657 4.0657 4.7816 4.7816 5.0029 5.0029 7.6865 7.6865 7.8819 7.8819 8.7606 8.7606 8.8389 8.8389 9.2437 9.2437 k = 0.5000 0.1319 0.3714 ( 19316 PWs) bands (ev): -14.7917 -14.7917 -14.7502 -14.7502 -5.3535 -5.3535 -4.8908 -4.8908 -3.6624 -3.6624 -3.5081 -3.5081 -2.3089 -2.3089 -2.2941 -2.2941 -2.1115 -2.1115 -2.0408 -2.0408 0.2392 0.2392 0.6709 0.6709 0.8765 0.8765 1.2743 1.2743 1.4145 1.4145 2.1936 2.1936 2.4378 2.4378 2.6043 2.6043 2.7168 2.7168 3.1019 3.1019 3.3023 3.3023 3.4730 3.4730 3.6337 3.6337 4.1033 4.1033 4.7631 4.7631 4.9900 4.9900 7.7028 7.7028 7.8968 7.8968 8.6825 8.6825 8.7634 8.7634 9.1911 9.1911 k = 0.5000 0.1484 0.3714 ( 19308 PWs) bands (ev): -14.7910 -14.7910 -14.7509 -14.7509 -5.3430 -5.3430 -4.8944 -4.8944 -3.6633 -3.6633 -3.5157 -3.5157 -2.3131 -2.3131 -2.3018 -2.3018 -2.1129 -2.1129 -2.0413 -2.0413 0.2546 0.2546 0.6865 0.6865 0.8806 0.8806 1.2754 1.2754 1.4149 1.4149 2.1718 2.1718 2.4272 2.4272 2.5816 2.5816 2.7104 2.7104 3.0971 3.0971 3.2904 3.2904 3.4939 3.4939 3.6885 3.6885 4.1441 4.1441 4.7420 4.7420 4.9833 4.9833 7.7095 7.7095 7.9141 7.9141 8.6021 8.6021 8.6838 8.6838 9.1475 9.1475 k = 0.5000 0.1649 0.3714 ( 19304 PWs) bands (ev): -14.7901 -14.7901 -14.7516 -14.7516 -5.3314 -5.3314 -4.8984 -4.8984 -3.6642 -3.6642 -3.5238 -3.5238 -2.3181 -2.3181 -2.3098 -2.3098 -2.1140 -2.1140 -2.0419 -2.0419 0.2713 0.2713 0.7019 0.7019 0.8862 0.8862 1.2774 1.2774 1.4153 1.4153 2.1470 2.1470 2.4161 2.4161 2.5602 2.5602 2.7071 2.7071 3.0924 3.0924 3.2783 3.2783 3.5044 3.5044 3.7493 3.7493 4.1879 4.1879 4.7209 4.7209 4.9818 4.9818 7.7086 7.7086 7.9281 7.9281 8.5203 8.5203 8.6015 8.6015 9.1169 9.1169 k = 0.5000 0.1814 0.3714 ( 19308 PWs) bands (ev): -14.7893 -14.7893 -14.7524 -14.7524 -5.3188 -5.3188 -4.9031 -4.9031 -3.6651 -3.6651 -3.5324 -3.5324 -2.3237 -2.3237 -2.3181 -2.3181 -2.1147 -2.1147 -2.0425 -2.0425 0.2893 0.2893 0.7162 0.7162 0.8940 0.8940 1.2803 1.2803 1.4155 1.4155 2.1192 2.1192 2.4048 2.4048 2.5408 2.5408 2.7060 2.7060 3.0879 3.0879 3.2661 3.2661 3.5054 3.5054 3.8135 3.8135 4.2341 4.2341 4.7025 4.7025 4.9844 4.9844 7.7025 7.7025 7.9334 7.9334 8.4377 8.4377 8.5177 8.5177 9.1028 9.1028 k = 0.5000 0.1979 0.3714 ( 19300 PWs) bands (ev): -14.7883 -14.7883 -14.7533 -14.7533 -5.3054 -5.3054 -4.9085 -4.9085 -3.6659 -3.6659 -3.5413 -3.5413 -2.3299 -2.3299 -2.3266 -2.3266 -2.1148 -2.1148 -2.0433 -2.0433 0.3083 0.3083 0.7282 0.7282 0.9049 0.9049 1.2843 1.2843 1.4154 1.4154 2.0884 2.0884 2.3938 2.3938 2.5239 2.5239 2.7067 2.7067 3.0838 3.0838 3.2541 3.2541 3.4973 3.4973 3.8795 3.8795 4.2825 4.2825 4.6892 4.6892 4.9899 4.9899 7.6931 7.6931 7.9266 7.9266 8.3545 8.3545 8.4338 8.4338 9.1070 9.1070 k = 0.5000 0.2144 0.3714 ( 19288 PWs) bands (ev): -14.7873 -14.7873 -14.7542 -14.7542 -5.2910 -5.2910 -4.9146 -4.9146 -3.6666 -3.6666 -3.5505 -3.5505 -2.3367 -2.3367 -2.3351 -2.3351 -2.1143 -2.1143 -2.0442 -2.0442 0.3282 0.3282 0.7369 0.7369 0.9199 0.9199 1.2895 1.2895 1.4150 1.4150 2.0548 2.0548 2.3837 2.3837 2.5091 2.5091 2.7089 2.7089 3.0802 3.0802 3.2422 3.2422 3.4806 3.4806 3.9460 3.9460 4.3324 4.3324 4.6821 4.6821 4.9974 4.9974 7.6816 7.6816 7.9067 7.9067 8.2710 8.2710 8.3512 8.3512 9.1298 9.1298 k = 0.5000 0.2309 0.3714 ( 19296 PWs) bands (ev): -14.7863 -14.7863 -14.7552 -14.7552 -5.2759 -5.2759 -4.9215 -4.9215 -3.6672 -3.6672 -3.5598 -3.5598 -2.3438 -2.3438 -2.3434 -2.3434 -2.1133 -2.1133 -2.0453 -2.0453 0.3488 0.3488 0.7417 0.7417 0.9393 0.9393 1.2960 1.2960 1.4142 1.4142 2.0187 2.0187 2.3749 2.3749 2.4960 2.4960 2.7126 2.7126 3.0772 3.0772 3.2304 3.2304 3.4559 3.4559 4.0121 4.0121 4.3832 4.3832 4.6818 4.6818 5.0061 5.0061 7.6688 7.6688 7.8751 7.8751 8.1876 8.1876 8.2708 8.2708 9.1695 9.1695 k = 0.5000 0.2474 0.3714 ( 19328 PWs) bands (ev): -14.7851 -14.7851 -14.7563 -14.7563 -5.2601 -5.2601 -4.9291 -4.9291 -3.6677 -3.6677 -3.5691 -3.5691 -2.3517 -2.3517 -2.3510 -2.3510 -2.1117 -2.1117 -2.0466 -2.0466 0.3700 0.3700 0.7425 0.7425 0.9630 0.9630 1.3038 1.3038 1.4128 1.4128 1.9804 1.9804 2.3676 2.3676 2.4843 2.4843 2.7180 2.7180 3.0749 3.0749 3.2187 3.2187 3.4243 3.4243 4.0772 4.0772 4.4338 4.4338 4.6883 4.6883 5.0157 5.0157 7.6554 7.6554 7.8344 7.8344 8.1046 8.1046 8.1936 8.1936 9.2232 9.2232 k = 0.5000 0.2639 0.3714 ( 19336 PWs) bands (ev): -14.7840 -14.7840 -14.7574 -14.7574 -5.2436 -5.2436 -4.9376 -4.9376 -3.6679 -3.6679 -3.5783 -3.5783 -2.3596 -2.3596 -2.3584 -2.3584 -2.1097 -2.1097 -2.0481 -2.0481 0.3917 0.3917 0.7397 0.7397 0.9906 0.9906 1.3130 1.3130 1.4106 1.4106 1.9402 1.9402 2.3621 2.3621 2.4736 2.4736 2.7252 2.7252 3.0734 3.0734 3.2070 3.2070 3.3873 3.3873 4.1407 4.1407 4.4830 4.4830 4.7014 4.7014 5.0257 5.0257 7.6417 7.6417 7.7879 7.7879 8.0227 8.0227 8.1203 8.1203 9.2878 9.2878 k = 0.5000 0.2804 0.3714 ( 19344 PWs) bands (ev): -14.7827 -14.7827 -14.7585 -14.7585 -5.2267 -5.2267 -4.9469 -4.9469 -3.6679 -3.6679 -3.5874 -3.5874 -2.3671 -2.3671 -2.3656 -2.3656 -2.1072 -2.1072 -2.0499 -2.0499 0.4137 0.4137 0.7339 0.7339 1.0213 1.0213 1.3235 1.3235 1.4076 1.4076 1.8985 1.8985 2.3583 2.3583 2.4636 2.4636 2.7342 2.7342 3.0725 3.0725 3.1953 3.1953 3.3464 3.3464 4.2020 4.2020 4.5286 4.5286 4.7209 4.7209 5.0356 5.0356 7.6276 7.6276 7.7393 7.7393 7.9431 7.9431 8.0512 8.0512 9.3604 9.3604 k = 0.5000 0.2969 0.3714 ( 19344 PWs) bands (ev): -14.7815 -14.7815 -14.7597 -14.7597 -5.2094 -5.2094 -4.9571 -4.9571 -3.6676 -3.6676 -3.5961 -3.5961 -2.3741 -2.3741 -2.3724 -2.3724 -2.1044 -2.1044 -2.0519 -2.0519 0.4358 0.4358 0.7256 0.7256 1.0543 1.0543 1.3353 1.3353 1.4037 1.4037 1.8556 1.8556 2.3563 2.3563 2.4541 2.4541 2.7452 2.7452 3.0721 3.0721 3.1834 3.1834 3.3032 3.3032 4.2608 4.2608 4.5683 4.5683 4.7471 4.7471 5.0451 5.0451 7.6122 7.6122 7.6925 7.6925 7.8667 7.8667 7.9867 7.9867 9.4384 9.4384 k = 0.5000 0.3134 0.3714 ( 19356 PWs) bands (ev): -14.7802 -14.7802 -14.7610 -14.7610 -5.1917 -5.1917 -4.9682 -4.9682 -3.6669 -3.6669 -3.6046 -3.6046 -2.3805 -2.3805 -2.3788 -2.3788 -2.1012 -2.1012 -2.0541 -2.0541 0.4579 0.4579 0.7151 0.7151 1.0891 1.0891 1.3486 1.3486 1.3988 1.3988 1.8119 1.8119 2.3559 2.3559 2.4450 2.4450 2.7585 2.7585 3.0719 3.0719 3.1709 3.1709 3.2600 3.2600 4.3166 4.3166 4.6000 4.6000 4.7796 4.7796 5.0537 5.0537 7.5924 7.5924 7.6530 7.6530 7.7949 7.7949 7.9271 7.9271 9.5200 9.5200 k = 0.5000 0.3299 0.3714 ( 19356 PWs) bands (ev): -14.7788 -14.7788 -14.7622 -14.7622 -5.1738 -5.1738 -4.9801 -4.9801 -3.6659 -3.6659 -3.6126 -3.6126 -2.3863 -2.3863 -2.3847 -2.3847 -2.0978 -2.0978 -2.0566 -2.0566 0.4799 0.4799 0.7030 0.7030 1.1248 1.1248 1.3630 1.3630 1.3930 1.3930 1.7676 1.7676 2.3570 2.3570 2.4360 2.4360 2.7743 2.7743 3.0711 3.0711 3.1568 3.1568 3.2196 3.2196 4.3692 4.3692 4.6225 4.6225 4.8173 4.8173 5.0606 5.0606 7.5645 7.5645 7.6265 7.6265 7.7296 7.7296 7.8726 7.8726 9.6035 9.6035 k = 0.5000 0.3464 0.3714 ( 19344 PWs) bands (ev): -14.7775 -14.7775 -14.7636 -14.7636 -5.1559 -5.1559 -4.9929 -4.9929 -3.6644 -3.6644 -3.6202 -3.6202 -2.3912 -2.3912 -2.3898 -2.3898 -2.0942 -2.0942 -2.0593 -2.0593 0.5017 0.5017 0.6893 0.6893 1.1607 1.1607 1.3753 1.3753 1.3899 1.3899 1.7231 1.7231 2.3595 2.3595 2.4273 2.4273 2.7926 2.7926 3.0673 3.0673 3.1396 3.1396 3.1869 3.1869 4.4182 4.4182 4.6363 4.6363 4.8578 4.8578 5.0653 5.0653 7.5324 7.5324 7.6080 7.6080 7.6751 7.6751 7.8233 7.8233 9.6877 9.6877 k = 0.5000 0.3629 0.3714 ( 19336 PWs) bands (ev): -14.7761 -14.7761 -14.7649 -14.7649 -5.1379 -5.1379 -5.0065 -5.0065 -3.6625 -3.6625 -3.6272 -3.6272 -2.3954 -2.3954 -2.3942 -2.3942 -2.0906 -2.0906 -2.0622 -2.0622 0.5232 0.5232 0.6743 0.6743 1.1959 1.1959 1.3717 1.3717 1.4035 1.4035 1.6788 1.6788 2.3632 2.3632 2.4188 2.4188 2.8136 2.8136 3.0547 3.0547 3.1225 3.1225 3.1652 3.1652 4.4633 4.4633 4.6421 4.6421 4.8984 4.8984 5.0669 5.0669 7.5032 7.5032 7.5826 7.5826 7.6420 7.6420 7.7796 7.7796 9.7715 9.7715 k = 0.5000 0.3794 0.3714 ( 19352 PWs) bands (ev): -14.7747 -14.7747 -14.7663 -14.7663 -5.1201 -5.1201 -5.0209 -5.0209 -3.6601 -3.6601 -3.6337 -3.6337 -2.3986 -2.3986 -2.3977 -2.3977 -2.0868 -2.0868 -2.0654 -2.0654 0.5443 0.5443 0.6582 0.6582 1.2293 1.2293 1.3610 1.3610 1.4252 1.4252 1.6352 1.6352 2.3680 2.3680 2.4105 2.4105 2.8374 2.8374 3.0290 3.0290 3.1143 3.1143 3.1509 3.1509 4.5041 4.5041 4.6407 4.6407 4.9369 4.9369 5.0645 5.0645 7.4809 7.4809 7.5467 7.5467 7.6329 7.6329 7.7415 7.7415 9.8542 9.8542 k = 0.5000 0.3958 0.3714 ( 19332 PWs) bands (ev): -14.7733 -14.7733 -14.7676 -14.7676 -5.1024 -5.1024 -5.0361 -5.0361 -3.6572 -3.6572 -3.6396 -3.6396 -2.4009 -2.4009 -2.4003 -2.4003 -2.0831 -2.0831 -2.0686 -2.0686 0.5649 0.5649 0.6411 0.6411 1.2601 1.2601 1.3473 1.3473 1.4510 1.4510 1.5929 1.5929 2.3737 2.3737 2.4024 2.4024 2.8642 2.8642 2.9954 2.9954 3.1140 3.1140 3.1401 3.1401 4.5404 4.5404 4.6326 4.6326 4.9718 4.9718 5.0573 5.0573 7.4674 7.4674 7.5128 7.5128 7.6357 7.6357 7.7090 7.7090 9.9353 9.9353 k = 0.5000 0.4123 0.3714 ( 19316 PWs) bands (ev): -14.7719 -14.7719 -14.7690 -14.7690 -5.0851 -5.0851 -5.0518 -5.0518 -3.6537 -3.6537 -3.6449 -3.6449 -2.4022 -2.4022 -2.4019 -2.4019 -2.0793 -2.0793 -2.0721 -2.0721 0.5850 0.5850 0.6232 0.6232 1.2875 1.2875 1.3308 1.3308 1.4810 1.4810 1.5526 1.5526 2.3801 2.3801 2.3945 2.3945 2.8937 2.8937 2.9602 2.9602 3.1178 3.1178 3.1312 3.1312 4.5717 4.5717 4.6181 4.6181 5.0017 5.0017 5.0446 5.0446 7.4636 7.4636 7.4866 7.4866 7.6454 7.6454 7.6822 7.6822 10.0143 10.0143 k = 0.5000 0.4288 0.3714 ( 19312 PWs) bands (ev): -14.7705 -14.7705 -14.7705 -14.7705 -5.0682 -5.0682 -5.0682 -5.0682 -3.6496 -3.6496 -3.6496 -3.6496 -2.4026 -2.4026 -2.4026 -2.4026 -2.0757 -2.0757 -2.0757 -2.0757 0.6045 0.6045 0.6045 0.6045 1.3110 1.3110 1.3110 1.3110 1.5151 1.5151 1.5151 1.5151 2.3871 2.3871 2.3871 2.3871 2.9259 2.9259 2.9259 2.9259 3.1237 3.1237 3.1237 3.1237 4.5977 4.5977 4.5977 4.5977 5.0261 5.0261 5.0261 5.0261 7.4700 7.4700 7.4700 7.4700 7.6610 7.6610 7.6610 7.6610 10.0910 10.0910 k = 0.5000 0.4288 0.3714 ( 19312 PWs) bands (ev): -14.7705 -14.7705 -14.7705 -14.7705 -5.0682 -5.0682 -5.0682 -5.0682 -3.6496 -3.6496 -3.6496 -3.6496 -2.4026 -2.4026 -2.4026 -2.4026 -2.0757 -2.0757 -2.0757 -2.0757 0.6045 0.6045 0.6045 0.6045 1.3110 1.3110 1.3110 1.3110 1.5151 1.5151 1.5151 1.5151 2.3871 2.3871 2.3871 2.3871 2.9259 2.9259 2.9259 2.9259 3.1237 3.1237 3.1237 3.1237 4.5977 4.5977 4.5977 4.5977 5.0261 5.0261 5.0261 5.0261 7.4700 7.4700 7.4700 7.4700 7.6610 7.6610 7.6610 7.6610 10.0910 10.0910 k = 0.4833 0.4288 0.3714 ( 19328 PWs) bands (ev): -14.7705 -14.7705 -14.7705 -14.7705 -5.0687 -5.0687 -5.0684 -5.0684 -3.6504 -3.6504 -3.6481 -3.6481 -2.4040 -2.4040 -2.4001 -2.4001 -2.0764 -2.0764 -2.0746 -2.0746 0.6040 0.6040 0.6048 0.6048 1.3088 1.3088 1.3130 1.3130 1.5138 1.5138 1.5157 1.5157 2.3856 2.3856 2.3883 2.3883 2.9225 2.9225 2.9282 2.9282 3.1202 3.1202 3.1259 3.1259 4.5965 4.5965 4.5991 4.5991 5.0257 5.0257 5.0265 5.0265 7.4654 7.4654 7.4764 7.4764 7.6584 7.6584 7.6714 7.6714 10.0912 10.0945 k = 0.4667 0.4288 0.3714 ( 19320 PWs) bands (ev): -14.7705 -14.7705 -14.7705 -14.7705 -5.0698 -5.0698 -5.0691 -5.0691 -3.6506 -3.6506 -3.6459 -3.6459 -2.4044 -2.4044 -2.3967 -2.3967 -2.0768 -2.0768 -2.0732 -2.0732 0.6035 0.6035 0.6050 0.6050 1.3064 1.3064 1.3148 1.3148 1.5118 1.5118 1.5156 1.5156 2.3840 2.3840 2.3893 2.3893 2.9182 2.9182 2.9293 2.9293 3.1154 3.1154 3.1268 3.1268 4.5955 4.5955 4.6006 4.6006 5.0253 5.0253 5.0269 5.0269 7.4630 7.4630 7.4840 7.4840 7.6643 7.6643 7.6891 7.6891 10.0951 10.0999 k = 0.4500 0.4288 0.3714 ( 19320 PWs) bands (ev): -14.7706 -14.7706 -14.7706 -14.7706 -5.0715 -5.0715 -5.0704 -5.0704 -3.6502 -3.6502 -3.6432 -3.6432 -2.4038 -2.4038 -2.3923 -2.3923 -2.0768 -2.0768 -2.0714 -2.0714 0.6028 0.6028 0.6051 0.6051 1.3038 1.3038 1.3163 1.3163 1.5090 1.5090 1.5150 1.5150 2.3821 2.3821 2.3900 2.3900 2.9130 2.9130 2.9293 2.9293 3.1095 3.1095 3.1264 3.1264 4.5946 4.5946 4.6023 4.6023 5.0249 5.0249 5.0272 5.0272 7.4632 7.4632 7.4925 7.4925 7.6788 7.6788 7.7136 7.7136 10.0983 10.1079 k = 0.4333 0.4288 0.3714 ( 19340 PWs) bands (ev): -14.7707 -14.7707 -14.7707 -14.7707 -5.0737 -5.0737 -5.0723 -5.0723 -3.6490 -3.6490 -3.6399 -3.6399 -2.4021 -2.4021 -2.3870 -2.3870 -2.0765 -2.0765 -2.0694 -2.0694 0.6020 0.6020 0.6051 0.6051 1.3010 1.3010 1.3177 1.3177 1.5056 1.5056 1.5136 1.5136 2.3801 2.3801 2.3905 2.3905 2.9069 2.9069 2.9280 2.9280 3.1028 3.1028 3.1247 3.1247 4.5940 4.5940 4.6040 4.6040 5.0246 5.0246 5.0275 5.0275 7.4663 7.4663 7.5017 7.5017 7.7020 7.7020 7.7444 7.7444 10.0976 10.0997 k = 0.4167 0.4288 0.3714 ( 19344 PWs) bands (ev): -14.7708 -14.7708 -14.7708 -14.7708 -5.0765 -5.0765 -5.0748 -5.0748 -3.6473 -3.6473 -3.6361 -3.6361 -2.3995 -2.3995 -2.3808 -2.3808 -2.0759 -2.0759 -2.0670 -2.0670 0.6011 0.6011 0.6050 0.6050 1.2981 1.2981 1.3188 1.3188 1.5015 1.5015 1.5117 1.5117 2.3780 2.3780 2.3908 2.3908 2.9000 2.9000 2.9253 2.9253 3.0953 3.0953 3.1218 3.1218 4.5934 4.5934 4.6058 4.6058 5.0242 5.0242 5.0277 5.0277 7.4724 7.4724 7.5120 7.5120 7.7333 7.7333 7.7813 7.7813 10.1034 10.1050 k = 0.4000 0.4288 0.3714 ( 19344 PWs) bands (ev): -14.7710 -14.7710 -14.7710 -14.7710 -5.0797 -5.0797 -5.0778 -5.0778 -3.6449 -3.6449 -3.6318 -3.6318 -2.3958 -2.3958 -2.3739 -2.3739 -2.0749 -2.0749 -2.0643 -2.0643 0.6000 0.6000 0.6048 0.6048 1.2951 1.2951 1.3196 1.3196 1.4967 1.4967 1.5092 1.5092 2.3756 2.3756 2.3908 2.3908 2.8923 2.8923 2.9213 2.9213 3.0875 3.0875 3.1178 3.1178 4.5931 4.5931 4.6077 4.6077 5.0240 5.0240 5.0278 5.0278 7.4814 7.4814 7.5237 7.5237 7.7723 7.7723 7.8239 7.8239 10.1105 10.1106 k = 0.3833 0.4288 0.3714 ( 19352 PWs) bands (ev): -14.7712 -14.7712 -14.7711 -14.7711 -5.0834 -5.0834 -5.0812 -5.0812 -3.6420 -3.6420 -3.6271 -3.6271 -2.3913 -2.3913 -2.3662 -2.3662 -2.0735 -2.0735 -2.0614 -2.0614 0.5988 0.5988 0.6044 0.6044 1.2919 1.2919 1.3202 1.3202 1.4912 1.4912 1.5062 1.5062 2.3732 2.3732 2.3906 2.3906 2.8840 2.8840 2.9157 2.9157 3.0794 3.0794 3.1130 3.1130 4.5929 4.5929 4.6095 4.6095 5.0238 5.0238 5.0280 5.0280 7.4931 7.4931 7.5370 7.5370 7.8183 7.8183 7.8720 7.8720 10.1182 10.1182 k = 0.3667 0.4288 0.3714 ( 19348 PWs) bands (ev): -14.7714 -14.7714 -14.7713 -14.7713 -5.0875 -5.0875 -5.0851 -5.0851 -3.6385 -3.6385 -3.6221 -3.6221 -2.3859 -2.3859 -2.3579 -2.3579 -2.0718 -2.0718 -2.0582 -2.0582 0.5975 0.5975 0.6039 0.6039 1.2887 1.2887 1.3205 1.3205 1.4850 1.4850 1.5027 1.5027 2.3707 2.3707 2.3901 2.3901 2.8751 2.8751 2.9087 2.9087 3.0715 3.0715 3.1074 3.1074 4.5929 4.5929 4.6113 4.6113 5.0237 5.0237 5.0280 5.0280 7.5075 7.5075 7.5522 7.5522 7.8708 7.8708 7.9254 7.9254 10.1257 10.1257 k = 0.3500 0.4288 0.3714 ( 19320 PWs) bands (ev): -14.7716 -14.7716 -14.7715 -14.7715 -5.0920 -5.0920 -5.0894 -5.0894 -3.6345 -3.6345 -3.6167 -3.6167 -2.3796 -2.3796 -2.3490 -2.3490 -2.0697 -2.0697 -2.0548 -2.0548 0.5959 0.5959 0.6032 0.6032 1.2854 1.2854 1.3206 1.3206 1.4783 1.4783 1.4987 1.4987 2.3682 2.3682 2.3893 2.3893 2.8657 2.8657 2.9003 2.9003 3.0638 3.0638 3.1012 3.1012 4.5930 4.5930 4.6131 4.6131 5.0237 5.0237 5.0281 5.0281 7.5243 7.5243 7.5691 7.5691 7.9294 7.9294 7.9837 7.9837 10.1320 10.1320 k = 0.3333 0.4288 0.3714 ( 19328 PWs) bands (ev): -14.7719 -14.7719 -14.7718 -14.7718 -5.0968 -5.0968 -5.0941 -5.0941 -3.6300 -3.6300 -3.6110 -3.6110 -2.3727 -2.3727 -2.3398 -2.3398 -2.0674 -2.0674 -2.0511 -2.0511 0.5942 0.5942 0.6023 0.6023 1.2820 1.2820 1.3204 1.3204 1.4711 1.4711 1.4942 1.4942 2.3656 2.3656 2.3883 2.3883 2.8560 2.8560 2.8906 2.8906 3.0565 3.0565 3.0945 3.0945 4.5932 4.5932 4.6148 4.6148 5.0239 5.0239 5.0281 5.0281 7.5432 7.5432 7.5877 7.5877 7.9936 7.9936 8.0467 8.0467 10.1358 10.1358 k = 0.3167 0.4288 0.3714 ( 19328 PWs) bands (ev): -14.7721 -14.7721 -14.7720 -14.7720 -5.1018 -5.1018 -5.0990 -5.0990 -3.6251 -3.6251 -3.6052 -3.6052 -2.3650 -2.3650 -2.3301 -2.3301 -2.0646 -2.0646 -2.0473 -2.0473 0.5923 0.5923 0.6012 0.6012 1.2786 1.2786 1.3200 1.3200 1.4635 1.4635 1.4894 1.4894 2.3630 2.3630 2.3871 2.3871 2.8459 2.8459 2.8797 2.8797 3.0497 3.0497 3.0876 3.0876 4.5935 4.5935 4.6163 4.6163 5.0241 5.0241 5.0282 5.0282 7.5639 7.5639 7.6080 7.6080 8.0631 8.0631 8.1140 8.1140 10.1357 10.1357 k = 0.3000 0.4288 0.3714 ( 19340 PWs) bands (ev): -14.7724 -14.7724 -14.7723 -14.7723 -5.1070 -5.1070 -5.1041 -5.1041 -3.6199 -3.6199 -3.5993 -3.5993 -2.3568 -2.3568 -2.3203 -2.3203 -2.0616 -2.0616 -2.0433 -2.0433 0.5903 0.5903 0.5999 0.5999 1.2752 1.2752 1.3192 1.3192 1.4555 1.4555 1.4842 1.4842 2.3604 2.3604 2.3857 2.3857 2.8357 2.8357 2.8679 2.8679 3.0434 3.0434 3.0804 3.0804 4.5939 4.5939 4.6177 4.6177 5.0245 5.0245 5.0282 5.0282 7.5862 7.5862 7.6297 7.6297 8.1375 8.1375 8.1853 8.1853 10.1301 10.1301 k = 0.2833 0.4288 0.3714 ( 19348 PWs) bands (ev): -14.7727 -14.7727 -14.7726 -14.7726 -5.1123 -5.1123 -5.1094 -5.1094 -3.6144 -3.6144 -3.5934 -3.5934 -2.3481 -2.3481 -2.3104 -2.3104 -2.0583 -2.0583 -2.0392 -2.0392 0.5881 0.5881 0.5984 0.5984 1.2719 1.2719 1.3181 1.3181 1.4473 1.4473 1.4787 1.4787 2.3579 2.3579 2.3841 2.3841 2.8254 2.8254 2.8555 2.8555 3.0376 3.0376 3.0732 3.0732 4.5944 4.5944 4.6190 4.6190 5.0250 5.0250 5.0283 5.0283 7.6099 7.6099 7.6524 7.6524 8.2164 8.2164 8.2600 8.2600 10.1180 10.1180 k = 0.2667 0.4288 0.3714 ( 19368 PWs) bands (ev): -14.7729 -14.7729 -14.7728 -14.7728 -5.1177 -5.1177 -5.1148 -5.1148 -3.6087 -3.6087 -3.5874 -3.5874 -2.3390 -2.3390 -2.3005 -2.3005 -2.0547 -2.0547 -2.0350 -2.0350 0.5857 0.5857 0.5966 0.5966 1.2687 1.2687 1.3167 1.3167 1.4390 1.4390 1.4729 1.4729 2.3555 2.3555 2.3823 2.3823 2.8152 2.8152 2.8427 2.8427 3.0323 3.0323 3.0661 3.0661 4.5950 4.5950 4.6201 4.6201 5.0257 5.0257 5.0285 5.0285 7.6344 7.6344 7.6760 7.6760 8.2994 8.2994 8.3378 8.3378 10.0990 10.0990 k = 0.2500 0.4288 0.3714 ( 19364 PWs) bands (ev): -14.7732 -14.7732 -14.7731 -14.7731 -5.1231 -5.1231 -5.1202 -5.1202 -3.6029 -3.6029 -3.5816 -3.5816 -2.3297 -2.3297 -2.2907 -2.2907 -2.0508 -2.0508 -2.0307 -2.0307 0.5832 0.5832 0.5947 0.5947 1.2656 1.2656 1.3149 1.3149 1.4309 1.4309 1.4670 1.4670 2.3532 2.3532 2.3803 2.3803 2.8051 2.8051 2.8298 2.8298 3.0274 3.0274 3.0590 3.0590 4.5957 4.5957 4.6210 4.6210 5.0264 5.0264 5.0288 5.0288 7.6597 7.6597 7.7001 7.7001 8.3861 8.3861 8.4180 8.4180 10.0738 10.0738 k = 0.2333 0.4288 0.3714 ( 19352 PWs) bands (ev): -14.7735 -14.7735 -14.7734 -14.7734 -5.1284 -5.1284 -5.1256 -5.1256 -3.5969 -3.5969 -3.5759 -3.5759 -2.3201 -2.3201 -2.2812 -2.2812 -2.0466 -2.0466 -2.0264 -2.0264 0.5805 0.5805 0.5924 0.5924 1.2626 1.2626 1.3127 1.3127 1.4229 1.4229 1.4609 1.4609 2.3510 2.3510 2.3782 2.3782 2.7953 2.7953 2.8170 2.8170 3.0229 3.0229 3.0522 3.0522 4.5965 4.5965 4.6218 4.6218 5.0273 5.0273 5.0291 5.0291 7.6852 7.6852 7.7244 7.7244 8.4758 8.4758 8.5000 8.5000 10.0438 10.0438 k = 0.2167 0.4288 0.3714 ( 19360 PWs) bands (ev): -14.7738 -14.7738 -14.7737 -14.7737 -5.1336 -5.1336 -5.1309 -5.1309 -3.5910 -3.5910 -3.5704 -3.5704 -2.3105 -2.3105 -2.2721 -2.2721 -2.0423 -2.0423 -2.0222 -2.0222 0.5778 0.5778 0.5900 0.5900 1.2598 1.2598 1.3101 1.3101 1.4154 1.4154 1.4546 1.4546 2.3490 2.3490 2.3760 2.3760 2.7858 2.7858 2.8045 2.8045 3.0188 3.0188 3.0456 3.0456 4.5973 4.5973 4.6223 4.6223 5.0282 5.0282 5.0296 5.0296 7.7107 7.7107 7.7486 7.7486 8.5681 8.5681 8.5830 8.5830 10.0109 10.0109 k = 0.2000 0.4288 0.3714 ( 19352 PWs) bands (ev): -14.7741 -14.7741 -14.7740 -14.7740 -5.1387 -5.1387 -5.1360 -5.1360 -3.5850 -3.5850 -3.5651 -3.5651 -2.3009 -2.3009 -2.2634 -2.2634 -2.0378 -2.0378 -2.0180 -2.0180 0.5751 0.5751 0.5874 0.5874 1.2572 1.2572 1.3070 1.3070 1.4084 1.4084 1.4484 1.4484 2.3473 2.3473 2.3736 2.3736 2.7767 2.7767 2.7926 2.7926 3.0150 3.0150 3.0393 3.0393 4.5983 4.5983 4.6226 4.6226 5.0293 5.0293 5.0301 5.0301 7.7358 7.7358 7.7722 7.7722 8.6622 8.6622 8.6662 8.6662 9.9770 9.9770 k = 0.1833 0.4288 0.3714 ( 19384 PWs) bands (ev): -14.7743 -14.7743 -14.7742 -14.7742 -5.1435 -5.1435 -5.1410 -5.1410 -3.5792 -3.5792 -3.5602 -3.5602 -2.2915 -2.2915 -2.2553 -2.2553 -2.0332 -2.0332 -2.0140 -2.0140 0.5723 0.5723 0.5845 0.5845 1.2549 1.2549 1.3035 1.3035 1.4021 1.4021 1.4421 1.4421 2.3457 2.3457 2.3712 2.3712 2.7681 2.7681 2.7813 2.7813 3.0115 3.0115 3.0334 3.0334 4.5993 4.5993 4.6228 4.6228 5.0304 5.0304 5.0307 5.0307 7.7603 7.7603 7.7949 7.7949 8.7486 8.7486 8.7572 8.7572 9.9439 9.9439 k = 0.1667 0.4288 0.3714 ( 19388 PWs) bands (ev): -14.7746 -14.7746 -14.7745 -14.7745 -5.1481 -5.1481 -5.1458 -5.1458 -3.5736 -3.5736 -3.5556 -3.5556 -2.2823 -2.2823 -2.2479 -2.2479 -2.0285 -2.0285 -2.0101 -2.0101 0.5696 0.5696 0.5816 0.5816 1.2529 1.2529 1.2995 1.2995 1.3967 1.3967 1.4360 1.4360 2.3444 2.3444 2.3687 2.3687 2.7601 2.7601 2.7708 2.7708 3.0084 3.0084 3.0278 3.0278 4.6004 4.6004 4.6227 4.6227 5.0315 5.0315 5.0315 5.0315 7.7838 7.7838 7.8165 7.8165 8.8292 8.8292 8.8522 8.8522 9.9131 9.9131 k = 0.1500 0.4288 0.3714 ( 19396 PWs) bands (ev): -14.7748 -14.7748 -14.7747 -14.7747 -5.1523 -5.1523 -5.1502 -5.1502 -3.5682 -3.5682 -3.5515 -3.5515 -2.2734 -2.2734 -2.2412 -2.2412 -2.0238 -2.0238 -2.0065 -2.0065 0.5669 0.5669 0.5785 0.5785 1.2512 1.2512 1.2952 1.2952 1.3922 1.3922 1.4299 1.4299 2.3434 2.3434 2.3662 2.3662 2.7527 2.7527 2.7612 2.7612 3.0055 3.0055 3.0226 3.0226 4.6016 4.6016 4.6225 4.6225 5.0323 5.0323 5.0326 5.0326 7.8061 7.8061 7.8365 7.8365 8.9068 8.9068 8.9455 8.9455 9.8864 9.8864 k = 0.1333 0.4288 0.3714 ( 19396 PWs) bands (ev): -14.7750 -14.7750 -14.7750 -14.7750 -5.1563 -5.1563 -5.1543 -5.1543 -3.5631 -3.5631 -3.5478 -3.5478 -2.2650 -2.2650 -2.2354 -2.2354 -2.0192 -2.0192 -2.0032 -2.0032 0.5645 0.5645 0.5754 0.5754 1.2499 1.2499 1.2905 1.2905 1.3886 1.3886 1.4240 1.4240 2.3426 2.3426 2.3637 2.3637 2.7460 2.7460 2.7525 2.7525 3.0030 3.0030 3.0179 3.0179 4.6029 4.6029 4.6221 4.6221 5.0331 5.0331 5.0337 5.0337 7.8268 7.8268 7.8547 7.8547 8.9802 8.9802 9.0353 9.0353 9.8654 9.8654 k = 0.1167 0.4288 0.3714 ( 19388 PWs) bands (ev): -14.7752 -14.7752 -14.7752 -14.7752 -5.1598 -5.1598 -5.1581 -5.1581 -3.5583 -3.5583 -3.5446 -3.5446 -2.2571 -2.2571 -2.2304 -2.2304 -2.0147 -2.0147 -2.0003 -2.0003 0.5622 0.5622 0.5724 0.5724 1.2491 1.2491 1.2857 1.2857 1.3859 1.3859 1.4184 1.4184 2.3421 2.3421 2.3612 2.3612 2.7399 2.7399 2.7449 2.7449 3.0008 3.0008 3.0136 3.0136 4.6042 4.6042 4.6215 4.6215 5.0340 5.0340 5.0347 5.0347 7.8457 7.8457 7.8710 7.8710 9.0483 9.0483 9.1190 9.1190 9.8523 9.8523 k = 0.1000 0.4288 0.3714 ( 19404 PWs) bands (ev): -14.7754 -14.7754 -14.7753 -14.7753 -5.1629 -5.1629 -5.1614 -5.1614 -3.5539 -3.5539 -3.5419 -3.5419 -2.2497 -2.2497 -2.2263 -2.2263 -2.0105 -2.0105 -1.9978 -1.9978 0.5603 0.5603 0.5694 0.5694 1.2486 1.2486 1.2807 1.2807 1.3841 1.3841 1.4130 1.4130 2.3419 2.3419 2.3588 2.3588 2.7346 2.7346 2.7382 2.7382 2.9990 2.9990 3.0097 3.0097 4.6055 4.6055 4.6208 4.6208 5.0349 5.0349 5.0357 5.0357 7.8628 7.8628 7.8850 7.8850 9.1102 9.1102 9.1933 9.1933 9.8495 9.8495 k = 0.0833 0.4288 0.3714 ( 19400 PWs) bands (ev): -14.7755 -14.7755 -14.7755 -14.7755 -5.1655 -5.1655 -5.1643 -5.1643 -3.5499 -3.5499 -3.5397 -3.5397 -2.2431 -2.2431 -2.2231 -2.2231 -2.0065 -2.0065 -1.9957 -1.9957 0.5587 0.5587 0.5665 0.5665 1.2486 1.2486 1.2759 1.2759 1.3831 1.3831 1.4079 1.4079 2.3420 2.3420 2.3564 2.3564 2.7300 2.7300 2.7326 2.7326 2.9976 2.9976 3.0063 3.0063 4.6069 4.6069 4.6199 4.6199 5.0357 5.0357 5.0365 5.0365 7.8777 7.8777 7.8967 7.8967 9.1651 9.1651 9.2545 9.2545 9.8596 9.8596 k = 0.0667 0.4288 0.3714 ( 19380 PWs) bands (ev): -14.7757 -14.7757 -14.7756 -14.7756 -5.1677 -5.1677 -5.1667 -5.1667 -3.5464 -3.5464 -3.5381 -3.5381 -2.2372 -2.2372 -2.2209 -2.2209 -2.0030 -2.0030 -1.9942 -1.9942 0.5574 0.5574 0.5640 0.5640 1.2491 1.2491 1.2713 1.2713 1.3829 1.3829 1.4032 1.4032 2.3424 2.3424 2.3541 2.3541 2.7262 2.7262 2.7280 2.7280 2.9965 2.9965 3.0034 3.0034 4.6083 4.6083 4.6190 4.6190 5.0365 5.0365 5.0372 5.0372 7.8904 7.8904 7.9059 7.9059 9.2127 9.2127 9.2997 9.2997 9.8841 9.8841 k = 0.0500 0.4288 0.3714 ( 19396 PWs) bands (ev): -14.7758 -14.7758 -14.7757 -14.7757 -5.1694 -5.1694 -5.1686 -5.1686 -3.5434 -3.5434 -3.5371 -3.5371 -2.2320 -2.2320 -2.2197 -2.2197 -1.9999 -1.9999 -1.9932 -1.9932 0.5566 0.5566 0.5616 0.5616 1.2501 1.2501 1.2669 1.2669 1.3834 1.3834 1.3989 1.3989 2.3430 2.3430 2.3520 2.3520 2.7233 2.7233 2.7244 2.7244 2.9958 2.9958 3.0010 3.0010 4.6098 4.6098 4.6178 4.6178 5.0371 5.0371 5.0378 5.0378 7.9009 7.9009 7.9127 7.9127 9.2529 9.2529 9.3278 9.3278 9.9221 9.9221 k = 0.0333 0.4288 0.3714 ( 19388 PWs) bands (ev): -14.7758 -14.7758 -14.7758 -14.7758 -5.1706 -5.1706 -5.1701 -5.1701 -3.5409 -3.5409 -3.5367 -3.5367 -2.2277 -2.2277 -2.2194 -2.2194 -1.9973 -1.9973 -1.9928 -1.9928 0.5563 0.5563 0.5597 0.5597 1.2516 1.2516 1.2629 1.2629 1.3846 1.3846 1.3950 1.3950 2.3440 2.3440 2.3500 2.3500 2.7212 2.7212 2.7218 2.7218 2.9956 2.9956 2.9990 2.9990 4.6112 4.6112 4.6166 4.6166 5.0377 5.0377 5.0381 5.0381 7.9089 7.9089 7.9169 7.9169 9.2860 9.2860 9.3404 9.3404 9.9693 9.9693 k = 0.0167 0.4288 0.3714 ( 19400 PWs) bands (ev): -14.7759 -14.7759 -14.7759 -14.7759 -5.1713 -5.1713 -5.1710 -5.1710 -3.5390 -3.5390 -3.5369 -3.5369 -2.2242 -2.2242 -2.2201 -2.2201 -1.9953 -1.9953 -1.9930 -1.9930 0.5564 0.5564 0.5582 0.5582 1.2537 1.2537 1.2594 1.2594 1.3864 1.3864 1.3916 1.3916 2.3451 2.3451 2.3482 2.3482 2.7200 2.7200 2.7203 2.7203 2.9958 2.9958 2.9974 2.9974 4.6126 4.6126 4.6154 4.6154 5.0380 5.0380 5.0383 5.0383 7.9146 7.9146 7.9186 7.9186 9.3118 9.3118 9.3404 9.3404 10.0198 10.0198 k = 0.0000 0.4288 0.3714 ( 19408 PWs) bands (ev): -14.7759 -14.7759 -14.7759 -14.7759 -5.1714 -5.1714 -5.1714 -5.1714 -3.5377 -3.5377 -3.5377 -3.5377 -2.2217 -2.2217 -2.2217 -2.2217 -1.9938 -1.9938 -1.9938 -1.9938 0.5571 0.5571 0.5571 0.5571 1.2563 1.2563 1.2563 1.2563 1.3887 1.3887 1.3887 1.3887 2.3465 2.3465 2.3465 2.3465 2.7197 2.7197 2.7197 2.7197 2.9964 2.9964 2.9964 2.9964 4.6140 4.6140 4.6140 4.6140 5.0382 5.0382 5.0382 5.0382 7.9179 7.9179 7.9179 7.9179 9.3302 9.3302 9.3302 9.3302 10.0669 10.0669 k = 0.0000 0.4288 0.3714 ( 19408 PWs) bands (ev): -14.7759 -14.7759 -14.7759 -14.7759 -5.1714 -5.1714 -5.1714 -5.1714 -3.5377 -3.5377 -3.5377 -3.5377 -2.2217 -2.2217 -2.2217 -2.2217 -1.9938 -1.9938 -1.9938 -1.9938 0.5571 0.5571 0.5571 0.5571 1.2563 1.2563 1.2563 1.2563 1.3887 1.3887 1.3887 1.3887 2.3465 2.3465 2.3465 2.3465 2.7197 2.7197 2.7197 2.7197 2.9964 2.9964 2.9964 2.9964 4.6140 4.6140 4.6140 4.6140 5.0382 5.0382 5.0382 5.0382 7.9179 7.9179 7.9179 7.9179 9.3302 9.3302 9.3302 9.3302 10.0669 10.0669 k = 0.0000 0.4123 0.3714 ( 19404 PWs) bands (ev): -14.7773 -14.7773 -14.7745 -14.7745 -5.1885 -5.1885 -5.1539 -5.1539 -3.5409 -3.5409 -3.5347 -3.5347 -2.2262 -2.2262 -2.2172 -2.2172 -1.9982 -1.9982 -1.9903 -1.9903 0.5341 0.5341 0.5800 0.5800 1.2236 1.2236 1.2853 1.2853 1.3719 1.3719 1.4099 1.4099 2.3357 2.3357 2.3592 2.3592 2.6891 2.6891 2.7522 2.7522 2.9866 2.9866 3.0075 3.0075 4.5893 4.5893 4.6359 4.6359 5.0176 5.0176 5.0576 5.0576 7.8979 7.8979 7.9451 7.9451 9.3057 9.3057 9.3483 9.3483 10.0469 10.0469 k = 0.0000 0.3958 0.3714 ( 19396 PWs) bands (ev): -14.7787 -14.7787 -14.7731 -14.7731 -5.2053 -5.2053 -5.1361 -5.1361 -3.5444 -3.5444 -3.5320 -3.5320 -2.2307 -2.2307 -2.2127 -2.2127 -2.0034 -2.0034 -1.9875 -1.9875 0.5113 0.5113 0.6026 0.6026 1.1892 1.1892 1.3077 1.3077 1.3600 1.3600 1.4361 1.4361 2.3270 2.3270 2.3734 2.3734 2.6610 2.6610 2.7861 2.7861 2.9782 2.9782 3.0202 3.0202 4.5618 4.5618 4.6547 4.6547 4.9957 4.9957 5.0758 5.0758 7.8855 7.8855 7.9792 7.9792 9.2739 9.2739 9.3610 9.3610 10.0217 10.0217 k = 0.0000 0.3794 0.3714 ( 19398 PWs) bands (ev): -14.7801 -14.7801 -14.7718 -14.7718 -5.2216 -5.2216 -5.1180 -5.1180 -3.5480 -3.5480 -3.5296 -3.5296 -2.2351 -2.2351 -2.2082 -2.2082 -2.0093 -2.0093 -1.9857 -1.9857 0.4890 0.4890 0.6242 0.6242 1.1545 1.1545 1.3181 1.3181 1.3569 1.3569 1.4671 1.4671 2.3206 2.3206 2.3887 2.3887 2.6356 2.6356 2.8207 2.8207 2.9710 2.9710 3.0347 3.0347 4.5318 4.5318 4.6702 4.6702 4.9729 4.9729 5.0929 5.0929 7.8808 7.8808 8.0198 8.0198 9.2344 9.2344 9.3694 9.3694 9.9921 9.9921 k = 0.0000 0.3629 0.3714 ( 19386 PWs) bands (ev): -14.7814 -14.7814 -14.7704 -14.7704 -5.2374 -5.2374 -5.0997 -5.0997 -3.5519 -3.5519 -3.5276 -3.5276 -2.2395 -2.2395 -2.2038 -2.2038 -2.0157 -2.0157 -1.9849 -1.9849 0.4674 0.4674 0.6444 0.6444 1.1209 1.1209 1.3151 1.3151 1.3644 1.3644 1.5023 1.5023 2.3166 2.3166 2.4047 2.4047 2.6136 2.6136 2.8551 2.8551 2.9652 2.9652 3.0516 3.0516 4.4991 4.4991 4.6823 4.6823 4.9495 4.9495 5.1093 5.1093 7.8837 7.8837 8.0664 8.0664 9.1868 9.1868 9.3744 9.3744 9.9585 9.9585 k = 0.0000 0.3464 0.3714 ( 19392 PWs) bands (ev): -14.7828 -14.7828 -14.7691 -14.7691 -5.2528 -5.2528 -5.0813 -5.0813 -3.5559 -3.5559 -3.5259 -3.5259 -2.2438 -2.2438 -2.1994 -2.1994 -2.0227 -2.0227 -1.9849 -1.9849 0.4466 0.4466 0.6625 0.6625 1.0891 1.0891 1.3070 1.3070 1.3748 1.3748 1.5403 1.5403 2.3149 2.3149 2.4208 2.4208 2.5953 2.5953 2.8878 2.8878 2.9612 2.9612 3.0713 3.0713 4.4638 4.4638 4.6906 4.6906 4.9260 4.9260 5.1254 5.1254 7.8944 7.8944 8.1183 8.1183 9.1312 9.1312 9.3769 9.3769 9.9208 9.9208 k = 0.0000 0.3299 0.3714 ( 19398 PWs) bands (ev): -14.7842 -14.7842 -14.7678 -14.7678 -5.2675 -5.2675 -5.0628 -5.0628 -3.5600 -3.5600 -3.5245 -3.5245 -2.2479 -2.2479 -2.1951 -2.1951 -2.0302 -2.0302 -1.9859 -1.9859 0.4265 0.4265 0.6778 0.6778 1.0599 1.0599 1.2985 1.2985 1.3843 1.3843 1.5804 1.5804 2.3155 2.3155 2.4362 2.4362 2.5815 2.5815 2.9163 2.9163 2.9603 2.9603 3.0944 3.0944 4.4260 4.4260 4.6950 4.6950 4.9032 4.9032 5.1416 5.1416 7.9124 7.9124 8.1748 8.1748 9.0681 9.0681 9.3778 9.3778 9.8778 9.8778 k = 0.0000 0.3134 0.3714 ( 19386 PWs) bands (ev): -14.7855 -14.7855 -14.7666 -14.7666 -5.2818 -5.2818 -5.0443 -5.0443 -3.5642 -3.5642 -3.5235 -3.5235 -2.2519 -2.2519 -2.1908 -2.1908 -2.0381 -2.0381 -1.9878 -1.9878 0.4072 0.4072 0.6896 0.6896 1.0343 1.0343 1.2906 1.2906 1.3925 1.3925 1.6217 1.6217 2.3180 2.3180 2.4500 2.4500 2.5729 2.5729 2.9348 2.9348 2.9678 2.9678 3.1211 3.1211 4.3858 4.3858 4.6955 4.6955 4.8819 4.8819 5.1582 5.1582 7.9377 7.9377 8.2351 8.2351 8.9983 8.9983 9.3776 9.3776 9.8272 9.8272 k = 0.0000 0.2969 0.3714 ( 19386 PWs) bands (ev): -14.7868 -14.7868 -14.7654 -14.7654 -5.2954 -5.2954 -5.0259 -5.0259 -3.5684 -3.5684 -3.5228 -3.5228 -2.2557 -2.2557 -2.1866 -2.1866 -2.0463 -2.0463 -1.9907 -1.9907 0.3886 0.3886 0.6974 0.6974 1.0126 1.0126 1.2839 1.2839 1.3993 1.3993 1.6640 1.6640 2.3222 2.3222 2.4615 2.4615 2.5703 2.5703 2.9407 2.9407 2.9857 2.9857 3.1511 3.1511 4.3431 4.3431 4.6919 4.6919 4.8627 4.8627 5.1755 5.1755 7.9699 7.9699 8.2980 8.2980 8.9228 8.9228 9.3769 9.3769 9.7651 9.7651 k = 0.0000 0.2804 0.3714 ( 19366 PWs) bands (ev): -14.7880 -14.7880 -14.7642 -14.7642 -5.3084 -5.3084 -5.0076 -5.0076 -3.5727 -3.5727 -3.5225 -3.5225 -2.2592 -2.2592 -2.1825 -2.1825 -2.0547 -2.0547 -1.9943 -1.9943 0.3707 0.3707 0.7008 0.7008 0.9952 0.9952 1.2785 1.2785 1.4049 1.4049 1.7070 1.7070 2.3275 2.3275 2.4708 2.4708 2.5738 2.5738 2.9424 2.9424 3.0060 3.0060 3.1834 3.1834 4.2982 4.2982 4.6846 4.6846 4.8467 4.8467 5.1937 5.1937 8.0084 8.0084 8.3616 8.3616 8.8438 8.8438 9.3758 9.3758 9.6907 9.6907 k = 0.0000 0.2639 0.3714 ( 19358 PWs) bands (ev): -14.7892 -14.7892 -14.7631 -14.7631 -5.3208 -5.3208 -4.9896 -4.9896 -3.5769 -3.5769 -3.5225 -3.5225 -2.2626 -2.2626 -2.1784 -2.1784 -2.0633 -2.0633 -1.9987 -1.9987 0.3535 0.3535 0.7000 0.7000 0.9819 0.9819 1.2746 1.2746 1.4094 1.4094 1.7506 1.7506 2.3332 2.3332 2.4790 2.4790 2.5821 2.5821 2.9438 2.9438 3.0252 3.0252 3.2165 3.2165 4.2513 4.2513 4.6738 4.6738 4.8346 4.8346 5.2127 5.2127 8.0529 8.0529 8.4213 8.4213 8.7658 8.7658 9.3746 9.3746 9.6084 9.6084 k = 0.0000 0.2474 0.3714 ( 19356 PWs) bands (ev): -14.7904 -14.7904 -14.7620 -14.7620 -5.3325 -5.3325 -4.9719 -4.9719 -3.5810 -3.5810 -3.5228 -3.5228 -2.2657 -2.2657 -2.1744 -2.1744 -2.0719 -2.0719 -2.0038 -2.0038 0.3367 0.3367 0.6956 0.6956 0.9721 0.9721 1.2721 1.2721 1.4131 1.4131 1.7945 1.7945 2.3387 2.3387 2.4881 2.4881 2.5935 2.5935 2.9460 2.9460 3.0430 3.0430 3.2490 3.2490 4.2026 4.2026 4.6602 4.6602 4.8270 4.8270 5.2324 5.2324 8.1025 8.1025 8.4639 8.4639 8.7026 8.7026 9.3728 9.3728 9.5242 9.5242 k = 0.0000 0.2309 0.3714 ( 19350 PWs) bands (ev): -14.7915 -14.7915 -14.7610 -14.7610 -5.3435 -5.3435 -4.9547 -4.9547 -3.5850 -3.5850 -3.5234 -3.5234 -2.2686 -2.2686 -2.1705 -2.1705 -2.0806 -2.0806 -2.0095 -2.0095 0.3204 0.3204 0.6887 0.6887 0.9650 0.9650 1.2710 1.2710 1.4161 1.4161 1.8387 1.8387 2.3435 2.3435 2.4996 2.4996 2.6066 2.6066 2.9491 2.9491 3.0596 3.0596 3.2792 3.2792 4.1526 4.1526 4.6444 4.6444 4.8244 4.8244 5.2529 5.2529 8.1561 8.1561 8.4562 8.4562 8.6884 8.6884 9.3683 9.3683 9.4442 9.4442 k = 0.0000 0.2144 0.3714 ( 19358 PWs) bands (ev): -14.7926 -14.7926 -14.7601 -14.7601 -5.3539 -5.3539 -4.9380 -4.9380 -3.5889 -3.5889 -3.5243 -3.5243 -2.2711 -2.2711 -2.1665 -2.1665 -2.0891 -2.0891 -2.0158 -2.0158 0.3046 0.3046 0.6802 0.6802 0.9597 0.9597 1.2711 1.2711 1.4186 1.4186 1.8830 1.8830 2.3474 2.3474 2.5144 2.5144 2.6201 2.6201 2.9532 2.9532 3.0753 3.0753 3.3059 3.3059 4.1015 4.1015 4.6271 4.6271 4.8271 4.8271 5.2739 5.2739 8.2100 8.2100 8.3956 8.3956 8.7292 8.7292 9.3416 9.3416 9.3902 9.3902 k = 0.0000 0.1979 0.3714 ( 19364 PWs) bands (ev): -14.7936 -14.7936 -14.7592 -14.7592 -5.3635 -5.3635 -4.9219 -4.9219 -3.5926 -3.5926 -3.5254 -3.5254 -2.2734 -2.2734 -2.1626 -2.1626 -2.0975 -2.0975 -2.0225 -2.0225 0.2892 0.2892 0.6711 0.6711 0.9554 0.9554 1.2721 1.2721 1.4206 1.4206 1.9270 1.9270 2.3503 2.3503 2.5326 2.5326 2.6332 2.6332 2.9583 2.9583 3.0902 3.0902 3.3281 3.3281 4.0499 4.0499 4.6091 4.6091 4.8354 4.8354 5.2951 5.2951 8.2378 8.2378 8.3412 8.3412 8.7922 8.7922 9.2769 9.2769 9.3791 9.3791 k = 0.0000 0.1814 0.3714 ( 19344 PWs) bands (ev): -14.7946 -14.7946 -14.7583 -14.7583 -5.3724 -5.3724 -4.9066 -4.9066 -3.5961 -3.5961 -3.5266 -3.5266 -2.2754 -2.2754 -2.1588 -2.1588 -2.1056 -2.1056 -2.0295 -2.0295 0.2743 0.2743 0.6621 0.6621 0.9517 0.9517 1.2738 1.2738 1.4224 1.4224 1.9704 1.9704 2.3526 2.3526 2.5542 2.5542 2.6457 2.6457 2.9641 2.9641 3.1043 3.1043 3.3448 3.3448 3.9984 3.9984 4.5908 4.5908 4.8492 4.8492 5.3164 5.3164 8.1744 8.1744 8.3737 8.3737 8.8614 8.8614 9.2108 9.2108 9.3749 9.3749 k = 0.0000 0.1649 0.3714 ( 19360 PWs) bands (ev): -14.7954 -14.7954 -14.7576 -14.7576 -5.3806 -5.3806 -4.8921 -4.8921 -3.5994 -3.5994 -3.5280 -3.5280 -2.2770 -2.2770 -2.1549 -2.1549 -2.1134 -2.1134 -2.0367 -2.0367 0.2599 0.2599 0.6537 0.6537 0.9482 0.9482 1.2760 1.2760 1.4241 1.4241 2.0129 2.0129 2.3545 2.3545 2.5787 2.5787 2.6572 2.6572 2.9704 2.9704 3.1174 3.1174 3.3559 3.3559 3.9476 3.9476 4.5728 4.5728 4.8683 4.8683 5.3376 5.3376 8.0795 8.0795 8.4386 8.4386 8.9305 8.9305 9.1514 9.1514 9.3705 9.3705 k = 0.0000 0.1484 0.3714 ( 19348 PWs) bands (ev): -14.7962 -14.7962 -14.7569 -14.7569 -5.3881 -5.3881 -4.8786 -4.8786 -3.6025 -3.6025 -3.5295 -3.5295 -2.2784 -2.2784 -2.1512 -2.1512 -2.1206 -2.1206 -2.0441 -2.0441 0.2463 0.2463 0.6462 0.6462 0.9448 0.9448 1.2784 1.2784 1.4256 1.4256 2.0537 2.0537 2.3562 2.3562 2.6059 2.6059 2.6678 2.6678 2.9771 2.9771 3.1292 3.1292 3.3612 3.3612 3.8982 3.8982 4.5552 4.5552 4.8921 4.8921 5.3585 5.3585 7.9808 7.9808 8.5103 8.5103 8.9915 8.9915 9.1050 9.1050 9.3648 9.3648 k = 0.0000 0.1319 0.3714 ( 19352 PWs) bands (ev): -14.7970 -14.7970 -14.7562 -14.7562 -5.3947 -5.3947 -4.8661 -4.8661 -3.6053 -3.6053 -3.5311 -3.5311 -2.2796 -2.2796 -2.1477 -2.1477 -2.1271 -2.1271 -2.0515 -2.0515 0.2336 0.2336 0.6396 0.6396 0.9416 0.9416 1.2807 1.2807 1.4270 1.4270 2.0924 2.0924 2.3579 2.3579 2.6349 2.6349 2.6780 2.6780 2.9840 2.9840 3.1390 3.1390 3.3612 3.3612 3.8509 3.8509 4.5385 4.5385 4.9197 4.9197 5.3788 5.3788 7.8838 7.8838 8.5847 8.5847 9.0097 9.0097 9.1042 9.1042 9.3578 9.3578 k = 0.0000 0.1155 0.3714 ( 19336 PWs) bands (ev): -14.7976 -14.7976 -14.7557 -14.7557 -5.4007 -5.4007 -4.8548 -4.8548 -3.6078 -3.6078 -3.5326 -3.5326 -2.2805 -2.2805 -2.1451 -2.1451 -2.1319 -2.1319 -2.0589 -2.0589 0.2218 0.2218 0.6341 0.6341 0.9384 0.9384 1.2830 1.2830 1.4284 1.4284 2.1283 2.1283 2.3595 2.3595 2.6634 2.6634 2.6897 2.6897 2.9907 2.9907 3.1458 3.1458 3.3572 3.3572 3.8066 3.8066 4.5230 4.5230 4.9498 4.9498 5.3983 5.3983 7.7911 7.7911 8.6603 8.6603 8.9800 8.9800 9.1508 9.1508 9.3513 9.3513 k = 0.0000 0.0990 0.3714 ( 19320 PWs) bands (ev): -14.7982 -14.7982 -14.7552 -14.7552 -5.4058 -5.4058 -4.8448 -4.8448 -3.6100 -3.6100 -3.5340 -3.5340 -2.2811 -2.2811 -2.1455 -2.1455 -2.1330 -2.1330 -2.0662 -2.0662 0.2112 0.2112 0.6296 0.6296 0.9355 0.9355 1.2850 1.2850 1.4297 1.4297 2.1608 2.1608 2.3612 2.3612 2.6826 2.6826 2.7115 2.7115 2.9971 2.9971 3.1482 3.1482 3.3507 3.3507 3.7661 3.7661 4.5088 4.5088 4.9808 4.9808 5.4167 5.4167 7.7049 7.7049 8.7356 8.7356 8.9455 8.9455 9.1961 9.1961 9.3494 9.3494 k = 0.0000 0.0825 0.3714 ( 19332 PWs) bands (ev): -14.7987 -14.7987 -14.7548 -14.7548 -5.4102 -5.4102 -4.8362 -4.8362 -3.6119 -3.6119 -3.5353 -3.5353 -2.2816 -2.2816 -2.1487 -2.1487 -2.1304 -2.1304 -2.0734 -2.0734 0.2020 0.2020 0.6260 0.6260 0.9328 0.9328 1.2867 1.2867 1.4309 1.4309 2.1891 2.1891 2.3630 2.3630 2.6916 2.6916 2.7438 2.7438 3.0031 3.0031 3.1446 3.1446 3.3439 3.3439 3.7300 3.7300 4.4964 4.4964 5.0110 5.0110 5.4338 5.4338 7.6271 7.6271 8.8088 8.8088 8.9148 8.9148 9.2247 9.2247 9.3567 9.3567 k = 0.0000 0.0660 0.3714 ( 19332 PWs) bands (ev): -14.7991 -14.7991 -14.7544 -14.7544 -5.4138 -5.4138 -4.8290 -4.8290 -3.6135 -3.6135 -3.5365 -3.5365 -2.2819 -2.2819 -2.1523 -2.1523 -2.1264 -2.1264 -2.0804 -2.0804 0.1943 0.1943 0.6232 0.6232 0.9305 0.9305 1.2881 1.2881 1.4319 1.4319 2.2129 2.2129 2.3647 2.3647 2.6973 2.6973 2.7787 2.7787 3.0087 3.0087 3.1341 3.1341 3.3386 3.3386 3.6992 3.6992 4.4858 4.4858 5.0386 5.0386 5.4490 5.4490 7.5598 7.5598 8.8777 8.8777 8.8894 8.8894 9.2348 9.2348 9.3698 9.3698 k = 0.0000 0.0495 0.3714 ( 19326 PWs) bands (ev): -14.7994 -14.7994 -14.7541 -14.7541 -5.4166 -5.4166 -4.8233 -4.8233 -3.6147 -3.6147 -3.5374 -3.5374 -2.2821 -2.2821 -2.1555 -2.1555 -2.1218 -2.1218 -2.0871 -2.0871 0.1881 0.1881 0.6211 0.6211 0.9286 0.9286 1.2892 1.2892 1.4328 1.4328 2.2316 2.2316 2.3663 2.3663 2.7014 2.7014 2.8132 2.8132 3.0143 3.0143 3.1169 3.1169 3.3357 3.3357 3.6743 3.6743 4.4774 4.4774 5.0620 5.0620 5.4619 5.4619 7.5049 7.5049 8.8692 8.8692 8.9398 8.9398 9.2345 9.2345 9.3779 9.3779 k = 0.0000 0.0330 0.3714 ( 19328 PWs) bands (ev): -14.7996 -14.7996 -14.7540 -14.7540 -5.4186 -5.4186 -4.8193 -4.8193 -3.6156 -3.6156 -3.5381 -3.5381 -2.2822 -2.2822 -2.1579 -2.1579 -2.1168 -2.1168 -2.0936 -2.0936 0.1836 0.1836 0.6197 0.6197 0.9273 0.9273 1.2900 1.2900 1.4334 1.4334 2.2450 2.2450 2.3677 2.3677 2.7042 2.7042 2.8442 2.8442 3.0202 3.0202 3.0955 3.0955 3.3348 3.3348 3.6559 3.6559 4.4712 4.4712 5.0798 5.0798 5.4717 5.4717 7.4642 7.4642 8.8549 8.8549 8.9903 8.9903 9.2312 9.2312 9.3773 9.3773 k = 0.0000 0.0165 0.3714 ( 19324 PWs) bands (ev): -14.7997 -14.7997 -14.7538 -14.7538 -5.4198 -5.4198 -4.8168 -4.8168 -3.6161 -3.6161 -3.5385 -3.5385 -2.2822 -2.2822 -2.1594 -2.1594 -2.1114 -2.1114 -2.0998 -2.0998 0.1809 0.1809 0.6188 0.6188 0.9264 0.9264 1.2904 1.2904 1.4338 1.4338 2.2531 2.2531 2.3686 2.3686 2.7059 2.7059 2.8670 2.8670 3.0274 3.0274 3.0743 3.0743 3.3349 3.3349 3.6446 3.6446 4.4674 4.4674 5.0909 5.0909 5.4779 5.4779 7.4391 7.4391 8.8463 8.8463 9.0244 9.0244 9.2284 9.2284 9.3727 9.3727 k = 0.0000 0.0000 0.3714 ( 19318 PWs) bands (ev): -14.7998 -14.7998 -14.7538 -14.7538 -5.4202 -5.4202 -4.8160 -4.8160 -3.6163 -3.6163 -3.5387 -3.5387 -2.2822 -2.2822 -2.1599 -2.1599 -2.1062 -2.1062 -2.1053 -2.1053 0.1800 0.1800 0.6186 0.6186 0.9262 0.9262 1.2906 1.2906 1.4340 1.4340 2.2558 2.2558 2.3689 2.3689 2.7064 2.7064 2.8756 2.8756 3.0325 3.0325 3.0634 3.0634 3.3351 3.3351 3.6408 3.6408 4.4662 4.4662 5.0946 5.0946 5.4801 5.4801 7.4306 7.4306 8.8434 8.8434 9.0365 9.0365 9.2273 9.2273 9.3703 9.3703 k = 0.0000 0.4288-0.0000 ( 19378 PWs) bands (ev): -14.7760 -14.7760 -14.7760 -14.7760 -5.1587 -5.1587 -5.1587 -5.1587 -3.5545 -3.5545 -3.5545 -3.5545 -2.2115 -2.2115 -2.2115 -2.2115 -2.0591 -2.0591 -2.0591 -2.0591 0.7006 0.7006 0.7006 0.7006 1.2695 1.2695 1.2695 1.2695 1.5403 1.5403 1.5403 1.5403 2.2779 2.2779 2.2779 2.2779 2.8243 2.8243 2.8243 2.8243 3.0230 3.0230 3.0230 3.0230 3.9257 3.9257 3.9257 3.9257 4.9987 4.9987 4.9987 4.9987 8.7716 8.7716 8.7716 8.7716 9.2740 9.2740 9.2740 9.2740 9.4578 9.4578 k = 0.0000 0.4288 0.0169 ( 19358 PWs) bands (ev): -14.7760 -14.7760 -14.7760 -14.7760 -5.1587 -5.1587 -5.1587 -5.1587 -3.5544 -3.5544 -3.5544 -3.5544 -2.2116 -2.2116 -2.2116 -2.2116 -2.0587 -2.0587 -2.0587 -2.0587 0.7000 0.7000 0.7000 0.7000 1.2695 1.2695 1.2695 1.2695 1.5392 1.5392 1.5392 1.5392 2.2784 2.2784 2.2784 2.2784 2.8236 2.8236 2.8236 2.8236 3.0226 3.0226 3.0226 3.0226 3.9298 3.9298 3.9298 3.9298 4.9983 4.9983 4.9983 4.9983 8.7681 8.7681 8.7681 8.7681 9.2765 9.2765 9.2765 9.2765 9.4583 9.4583 k = 0.0000 0.4288 0.0338 ( 19336 PWs) bands (ev): -14.7760 -14.7760 -14.7760 -14.7760 -5.1589 -5.1589 -5.1589 -5.1589 -3.5541 -3.5541 -3.5541 -3.5541 -2.2118 -2.2118 -2.2118 -2.2118 -2.0577 -2.0577 -2.0577 -2.0577 0.6981 0.6981 0.6981 0.6981 1.2694 1.2694 1.2694 1.2694 1.5359 1.5359 1.5359 1.5359 2.2799 2.2799 2.2799 2.2799 2.8212 2.8212 2.8212 2.8212 3.0216 3.0216 3.0216 3.0216 3.9420 3.9420 3.9420 3.9420 4.9973 4.9973 4.9973 4.9973 8.7578 8.7578 8.7578 8.7578 9.2841 9.2841 9.2841 9.2841 9.4599 9.4599 k = 0.0000 0.4288 0.0506 ( 19344 PWs) bands (ev): -14.7760 -14.7760 -14.7760 -14.7760 -5.1593 -5.1593 -5.1593 -5.1593 -3.5537 -3.5537 -3.5537 -3.5537 -2.2122 -2.2122 -2.2122 -2.2122 -2.0560 -2.0560 -2.0560 -2.0560 0.6949 0.6949 0.6949 0.6949 1.2692 1.2692 1.2692 1.2692 1.5305 1.5305 1.5305 1.5305 2.2822 2.2822 2.2822 2.2822 2.8175 2.8175 2.8175 2.8175 3.0200 3.0200 3.0200 3.0200 3.9618 3.9618 3.9618 3.9618 4.9958 4.9958 4.9958 4.9958 8.7405 8.7405 8.7405 8.7405 9.2966 9.2966 9.2966 9.2966 9.4627 9.4627 k = 0.0000 0.4288 0.0675 ( 19354 PWs) bands (ev): -14.7760 -14.7760 -14.7760 -14.7760 -5.1597 -5.1597 -5.1597 -5.1597 -3.5531 -3.5531 -3.5531 -3.5531 -2.2127 -2.2127 -2.2127 -2.2127 -2.0538 -2.0538 -2.0538 -2.0538 0.6905 0.6905 0.6905 0.6905 1.2690 1.2690 1.2690 1.2690 1.5233 1.5233 1.5233 1.5233 2.2854 2.2854 2.2854 2.2854 2.8124 2.8124 2.8124 2.8124 3.0179 3.0179 3.0179 3.0179 3.9888 3.9888 3.9888 3.9888 4.9937 4.9937 4.9937 4.9937 8.7164 8.7164 8.7164 8.7164 9.3138 9.3138 9.3138 9.3138 9.4669 9.4669 k = 0.0000 0.4288 0.0844 ( 19346 PWs) bands (ev): -14.7760 -14.7760 -14.7760 -14.7760 -5.1603 -5.1603 -5.1603 -5.1603 -3.5524 -3.5524 -3.5524 -3.5524 -2.2132 -2.2132 -2.2132 -2.2132 -2.0509 -2.0509 -2.0509 -2.0509 0.6850 0.6850 0.6850 0.6850 1.2686 1.2686 1.2686 1.2686 1.5145 1.5145 1.5145 1.5145 2.2892 2.2892 2.2892 2.2892 2.8063 2.8063 2.8063 2.8063 3.0157 3.0157 3.0157 3.0157 4.0220 4.0220 4.0220 4.0220 4.9912 4.9912 4.9912 4.9912 8.6856 8.6856 8.6856 8.6856 9.3354 9.3354 9.3354 9.3354 9.4729 9.4729 k = 0.0000 0.4288 0.1013 ( 19350 PWs) bands (ev): -14.7760 -14.7760 -14.7760 -14.7760 -5.1609 -5.1609 -5.1609 -5.1609 -3.5515 -3.5515 -3.5515 -3.5515 -2.2139 -2.2139 -2.2139 -2.2139 -2.0476 -2.0476 -2.0476 -2.0476 0.6784 0.6784 0.6784 0.6784 1.2682 1.2682 1.2682 1.2682 1.5045 1.5045 1.5045 1.5045 2.2936 2.2936 2.2936 2.2936 2.7994 2.7994 2.7994 2.7994 3.0134 3.0134 3.0134 3.0134 4.0607 4.0607 4.0607 4.0607 4.9885 4.9885 4.9885 4.9885 8.6483 8.6483 8.6483 8.6483 9.3603 9.3603 9.3603 9.3603 9.4810 9.4810 k = 0.0000 0.4288 0.1182 ( 19350 PWs) bands (ev): -14.7760 -14.7760 -14.7760 -14.7760 -5.1616 -5.1616 -5.1616 -5.1616 -3.5506 -3.5506 -3.5506 -3.5506 -2.2146 -2.2146 -2.2146 -2.2146 -2.0438 -2.0438 -2.0438 -2.0438 0.6707 0.6707 0.6707 0.6707 1.2677 1.2677 1.2677 1.2677 1.4937 1.4937 1.4937 1.4937 2.2983 2.2983 2.2983 2.2983 2.7920 2.7920 2.7920 2.7920 3.0111 3.0111 3.0111 3.0111 4.1039 4.1039 4.1039 4.1039 4.9857 4.9857 4.9857 4.9857 8.6050 8.6050 8.6050 8.6050 9.3868 9.3868 9.3868 9.3868 9.4924 9.4924 k = 0.0000 0.4288 0.1350 ( 19354 PWs) bands (ev): -14.7760 -14.7760 -14.7760 -14.7760 -5.1624 -5.1624 -5.1624 -5.1624 -3.5495 -3.5495 -3.5495 -3.5495 -2.2153 -2.2153 -2.2153 -2.2153 -2.0397 -2.0397 -2.0397 -2.0397 0.6622 0.6622 0.6622 0.6622 1.2671 1.2671 1.2671 1.2671 1.4824 1.4824 1.4824 1.4824 2.3032 2.3032 2.3032 2.3032 2.7842 2.7842 2.7842 2.7842 3.0089 3.0089 3.0089 3.0089 4.1506 4.1506 4.1506 4.1506 4.9830 4.9830 4.9830 4.9830 8.5563 8.5563 8.5563 8.5563 9.4113 9.4113 9.4113 9.4113 9.5093 9.5093 k = 0.0000 0.4288 0.1519 ( 19358 PWs) bands (ev): -14.7760 -14.7760 -14.7760 -14.7760 -5.1633 -5.1633 -5.1633 -5.1633 -3.5484 -3.5484 -3.5484 -3.5484 -2.2161 -2.2161 -2.2161 -2.2161 -2.0353 -2.0353 -2.0353 -2.0353 0.6530 0.6530 0.6530 0.6530 1.2664 1.2664 1.2664 1.2664 1.4710 1.4710 1.4710 1.4710 2.3082 2.3082 2.3082 2.3082 2.7764 2.7764 2.7764 2.7764 3.0069 3.0069 3.0069 3.0069 4.1998 4.1998 4.1998 4.1998 4.9807 4.9807 4.9807 4.9807 8.5029 8.5029 8.5029 8.5029 9.4291 9.4291 9.4291 9.4291 9.5352 9.5352 k = 0.0000 0.4288 0.1688 ( 19364 PWs) bands (ev): -14.7760 -14.7760 -14.7760 -14.7760 -5.1642 -5.1642 -5.1642 -5.1642 -3.5472 -3.5472 -3.5472 -3.5472 -2.2168 -2.2168 -2.2168 -2.2168 -2.0308 -2.0308 -2.0308 -2.0308 0.6432 0.6432 0.6432 0.6432 1.2657 1.2657 1.2657 1.2657 1.4597 1.4597 1.4597 1.4597 2.3132 2.3132 2.3132 2.3132 2.7687 2.7687 2.7687 2.7687 3.0051 3.0051 3.0051 3.0051 4.2503 4.2503 4.2503 4.2503 4.9791 4.9791 4.9791 4.9791 8.4458 8.4458 8.4458 8.4458 9.4377 9.4377 9.4377 9.4377 9.5712 9.5712 k = 0.0000 0.4288 0.1857 ( 19366 PWs) bands (ev): -14.7760 -14.7760 -14.7760 -14.7760 -5.1651 -5.1651 -5.1651 -5.1651 -3.5460 -3.5460 -3.5460 -3.5460 -2.2176 -2.2176 -2.2176 -2.2176 -2.0262 -2.0262 -2.0262 -2.0262 0.6330 0.6330 0.6330 0.6330 1.2648 1.2648 1.2648 1.2648 1.4488 1.4488 1.4488 1.4488 2.3181 2.3181 2.3181 2.3181 2.7613 2.7613 2.7613 2.7613 3.0035 3.0035 3.0035 3.0035 4.3011 4.3011 4.3011 4.3011 4.9785 4.9785 4.9785 4.9785 8.3860 8.3860 8.3860 8.3860 9.4382 9.4382 9.4382 9.4382 9.6151 9.6151 k = 0.0000 0.4288 0.2026 ( 19394 PWs) bands (ev): -14.7760 -14.7760 -14.7760 -14.7760 -5.1660 -5.1660 -5.1660 -5.1660 -3.5448 -3.5448 -3.5448 -3.5448 -2.2182 -2.2182 -2.2182 -2.2182 -2.0216 -2.0216 -2.0216 -2.0216 0.6227 0.6227 0.6227 0.6227 1.2639 1.2639 1.2639 1.2639 1.4385 1.4385 1.4385 1.4385 2.3227 2.3227 2.3227 2.3227 2.7543 2.7543 2.7543 2.7543 3.0021 3.0021 3.0021 3.0021 4.3510 4.3510 4.3510 4.3510 4.9790 4.9790 4.9790 4.9790 8.3246 8.3246 8.3246 8.3246 9.4326 9.4326 9.4326 9.4326 9.6641 9.6641 k = 0.0000 0.4288 0.2194 ( 19400 PWs) bands (ev): -14.7759 -14.7759 -14.7759 -14.7759 -5.1669 -5.1669 -5.1669 -5.1669 -3.5436 -3.5436 -3.5436 -3.5436 -2.2189 -2.2189 -2.2189 -2.2189 -2.0171 -2.0171 -2.0171 -2.0171 0.6124 0.6124 0.6124 0.6124 1.2629 1.2629 1.2629 1.2629 1.4291 1.4291 1.4291 1.4291 2.3270 2.3270 2.3270 2.3270 2.7479 2.7479 2.7479 2.7479 3.0009 3.0009 3.0009 3.0009 4.3988 4.3988 4.3988 4.3988 4.9811 4.9811 4.9811 4.9811 8.2629 8.2629 8.2629 8.2629 9.4225 9.4225 9.4225 9.4225 9.7165 9.7165 k = 0.0000 0.4288 0.2363 ( 19400 PWs) bands (ev): -14.7759 -14.7759 -14.7759 -14.7759 -5.1677 -5.1677 -5.1677 -5.1677 -3.5425 -3.5425 -3.5425 -3.5425 -2.2195 -2.2195 -2.2195 -2.2195 -2.0127 -2.0127 -2.0127 -2.0127 0.6024 0.6024 0.6024 0.6024 1.2618 1.2618 1.2618 1.2618 1.4205 1.4205 1.4205 1.4205 2.3310 2.3310 2.3310 2.3310 2.7420 2.7420 2.7420 2.7420 2.9999 2.9999 2.9999 2.9999 4.4435 4.4435 4.4435 4.4435 4.9850 4.9850 4.9850 4.9850 8.2022 8.2022 8.2022 8.2022 9.4094 9.4094 9.4094 9.4094 9.7705 9.7705 k = 0.0000 0.4288 0.2532 ( 19420 PWs) bands (ev): -14.7759 -14.7759 -14.7759 -14.7759 -5.1685 -5.1685 -5.1685 -5.1685 -3.5415 -3.5415 -3.5415 -3.5415 -2.2200 -2.2200 -2.2200 -2.2200 -2.0087 -2.0087 -2.0087 -2.0087 0.5929 0.5929 0.5929 0.5929 1.2608 1.2608 1.2608 1.2608 1.4130 1.4130 1.4130 1.4130 2.3345 2.3345 2.3345 2.3345 2.7368 2.7368 2.7368 2.7368 2.9990 2.9990 2.9990 2.9990 4.4841 4.4841 4.4841 4.4841 4.9907 4.9907 4.9907 4.9907 8.1440 8.1440 8.1440 8.1440 9.3949 9.3949 9.3949 9.3949 9.8249 9.8249 k = 0.0000 0.4288 0.2701 ( 19416 PWs) bands (ev): -14.7759 -14.7759 -14.7759 -14.7759 -5.1692 -5.1692 -5.1692 -5.1692 -3.5405 -3.5405 -3.5405 -3.5405 -2.2204 -2.2204 -2.2204 -2.2204 -2.0050 -2.0050 -2.0050 -2.0050 0.5841 0.5841 0.5841 0.5841 1.2598 1.2598 1.2598 1.2598 1.4064 1.4064 1.4064 1.4064 2.3377 2.3377 2.3377 2.3377 2.7323 2.7323 2.7323 2.7323 2.9983 2.9983 2.9983 2.9983 4.5195 4.5195 4.5195 4.5195 4.9980 4.9980 4.9980 4.9980 8.0897 8.0897 8.0897 8.0897 9.3801 9.3801 9.3801 9.3801 9.8780 9.8780 k = 0.0000 0.4288 0.2870 ( 19422 PWs) bands (ev): -14.7759 -14.7759 -14.7759 -14.7759 -5.1699 -5.1699 -5.1699 -5.1699 -3.5397 -3.5397 -3.5397 -3.5397 -2.2208 -2.2208 -2.2208 -2.2208 -2.0017 -2.0017 -2.0017 -2.0017 0.5763 0.5763 0.5763 0.5763 1.2588 1.2588 1.2588 1.2588 1.4009 1.4009 1.4009 1.4009 2.3404 2.3404 2.3404 2.3404 2.7284 2.7284 2.7284 2.7284 2.9977 2.9977 2.9977 2.9977 4.5494 4.5494 4.5494 4.5494 5.0067 5.0067 5.0067 5.0067 8.0407 8.0407 8.0407 8.0407 9.3662 9.3662 9.3662 9.3662 9.9282 9.9282 k = 0.0000 0.4288 0.3039 ( 19408 PWs) bands (ev): -14.7759 -14.7759 -14.7759 -14.7759 -5.1704 -5.1704 -5.1704 -5.1704 -3.5390 -3.5390 -3.5390 -3.5390 -2.2211 -2.2211 -2.2211 -2.2211 -1.9990 -1.9990 -1.9990 -1.9990 0.5696 0.5696 0.5696 0.5696 1.2580 1.2580 1.2580 1.2580 1.3965 1.3965 1.3965 1.3965 2.3426 2.3426 2.3426 2.3426 2.7252 2.7252 2.7252 2.7252 2.9972 2.9972 2.9972 2.9972 4.5733 4.5733 4.5733 4.5733 5.0159 5.0159 5.0159 5.0159 7.9984 7.9984 7.9984 7.9984 9.3539 9.3539 9.3539 9.3539 9.9736 9.9736 k = 0.0000 0.4288 0.3207 ( 19408 PWs) bands (ev): -14.7759 -14.7759 -14.7759 -14.7759 -5.1708 -5.1708 -5.1708 -5.1708 -3.5384 -3.5384 -3.5384 -3.5384 -2.2214 -2.2214 -2.2214 -2.2214 -1.9968 -1.9968 -1.9968 -1.9968 0.5642 0.5642 0.5642 0.5642 1.2572 1.2572 1.2572 1.2572 1.3931 1.3931 1.3931 1.3931 2.3443 2.3443 2.3443 2.3443 2.7228 2.7228 2.7228 2.7228 2.9968 2.9968 2.9968 2.9968 4.5915 4.5915 4.5915 4.5915 5.0246 5.0246 5.0246 5.0246 7.9641 7.9641 7.9641 7.9641 9.3438 9.3438 9.3438 9.3438 10.0122 10.0122 k = 0.0000 0.4288 0.3376 ( 19392 PWs) bands (ev): -14.7759 -14.7759 -14.7759 -14.7759 -5.1711 -5.1711 -5.1711 -5.1711 -3.5380 -3.5380 -3.5380 -3.5380 -2.2216 -2.2216 -2.2216 -2.2216 -1.9952 -1.9952 -1.9952 -1.9952 0.5603 0.5603 0.5603 0.5603 1.2567 1.2567 1.2567 1.2567 1.3906 1.3906 1.3906 1.3906 2.3455 2.3455 2.3455 2.3455 2.7210 2.7210 2.7210 2.7210 2.9966 2.9966 2.9966 2.9966 4.6042 4.6042 4.6042 4.6042 5.0318 5.0318 5.0318 5.0318 7.9387 7.9387 7.9387 7.9387 9.3363 9.3363 9.3363 9.3363 10.0418 10.0418 k = 0.0000 0.4288 0.3545 ( 19392 PWs) bands (ev): -14.7759 -14.7759 -14.7759 -14.7759 -5.1713 -5.1713 -5.1713 -5.1713 -3.5377 -3.5377 -3.5377 -3.5377 -2.2217 -2.2217 -2.2217 -2.2217 -1.9942 -1.9942 -1.9942 -1.9942 0.5579 0.5579 0.5579 0.5579 1.2564 1.2564 1.2564 1.2564 1.3892 1.3892 1.3892 1.3892 2.3463 2.3463 2.3463 2.3463 2.7200 2.7200 2.7200 2.7200 2.9964 2.9964 2.9964 2.9964 4.6116 4.6116 4.6116 4.6116 5.0366 5.0366 5.0366 5.0366 7.9231 7.9231 7.9231 7.9231 9.3318 9.3318 9.3318 9.3318 10.0605 10.0605 k = 0.0000 0.4288 0.3714 ( 19408 PWs) bands (ev): -14.7759 -14.7759 -14.7759 -14.7759 -5.1714 -5.1714 -5.1714 -5.1714 -3.5377 -3.5377 -3.5377 -3.5377 -2.2217 -2.2217 -2.2217 -2.2217 -1.9938 -1.9938 -1.9938 -1.9938 0.5571 0.5571 0.5571 0.5571 1.2563 1.2563 1.2563 1.2563 1.3887 1.3887 1.3887 1.3887 2.3465 2.3465 2.3465 2.3465 2.7197 2.7197 2.7197 2.7197 2.9964 2.9964 2.9964 2.9964 4.6140 4.6140 4.6140 4.6140 5.0382 5.0382 5.0382 5.0382 7.9179 7.9179 7.9179 7.9179 9.3302 9.3302 9.3302 9.3302 10.0669 10.0669 k = 0.5000-0.0000 0.3714 ( 19292 PWs) bands (ev): -14.7945 -14.7945 -14.7477 -14.7477 -5.3945 -5.3945 -4.8790 -4.8790 -3.6583 -3.6583 -3.4768 -3.4768 -2.2963 -2.2963 -2.2604 -2.2604 -2.1026 -2.1026 -2.0372 -2.0372 0.1776 0.1776 0.6004 0.6004 0.8641 0.8641 1.2754 1.2754 1.4127 1.4127 2.2717 2.2717 2.4835 2.4835 2.6771 2.6771 2.9131 2.9131 3.0889 3.0889 3.1847 3.1847 3.3958 3.3958 3.4365 3.4365 3.9288 3.9288 4.8162 4.8162 5.1256 5.1256 7.5264 7.5264 7.8690 7.8690 9.1048 9.1048 9.1206 9.1206 9.5326 9.5326 k = 0.5000-0.0000 0.3545 ( 19290 PWs) bands (ev): -14.7945 -14.7945 -14.7477 -14.7477 -5.3960 -5.3960 -4.8770 -4.8770 -3.6584 -3.6584 -3.4768 -3.4768 -2.2965 -2.2965 -2.2602 -2.2602 -2.1027 -2.1027 -2.0371 -2.0371 0.1770 0.1770 0.5994 0.5994 0.8640 0.8640 1.2750 1.2750 1.4128 1.4128 2.2715 2.2715 2.4827 2.4827 2.6772 2.6772 2.9114 2.9114 3.0903 3.0903 3.1853 3.1853 3.3927 3.3927 3.4441 3.4441 3.9267 3.9267 4.8169 4.8169 5.1252 5.1252 7.5277 7.5277 7.8723 7.8723 9.1005 9.1005 9.1159 9.1159 9.5203 9.5203 k = 0.5000-0.0000 0.3376 ( 19298 PWs) bands (ev): -14.7946 -14.7946 -14.7476 -14.7476 -5.4005 -5.4005 -4.8709 -4.8709 -3.6586 -3.6586 -3.4767 -3.4767 -2.2973 -2.2973 -2.2595 -2.2595 -2.1029 -2.1029 -2.0366 -2.0366 0.1753 0.1753 0.5967 0.5967 0.8638 0.8638 1.2739 1.2739 1.4130 1.4130 2.2708 2.2708 2.4802 2.4802 2.6775 2.6775 2.9065 2.9065 3.0938 3.0938 3.1877 3.1877 3.3872 3.3872 3.4629 3.4629 3.9205 3.9205 4.8191 4.8191 5.1237 5.1237 7.5314 7.5314 7.8820 7.8820 9.0881 9.0881 9.1021 9.1021 9.4846 9.4846 k = 0.5000-0.0000 0.3207 ( 19304 PWs) bands (ev): -14.7948 -14.7948 -14.7474 -14.7474 -5.4077 -5.4077 -4.8611 -4.8611 -3.6590 -3.6590 -3.4767 -3.4767 -2.2986 -2.2986 -2.2584 -2.2584 -2.1032 -2.1032 -2.0359 -2.0359 0.1724 0.1724 0.5922 0.5922 0.8636 0.8636 1.2720 1.2720 1.4134 1.4134 2.2696 2.2696 2.4763 2.4763 2.6779 2.6779 2.8992 2.8992 3.0980 3.0980 3.1933 3.1933 3.3825 3.3825 3.4885 3.4885 3.9105 3.9105 4.8226 4.8226 5.1213 5.1213 7.5375 7.5375 7.8980 7.8980 9.0685 9.0685 9.0790 9.0790 9.4299 9.4299 k = 0.5000-0.0000 0.3039 ( 19316 PWs) bands (ev): -14.7950 -14.7950 -14.7472 -14.7472 -5.4172 -5.4172 -4.8481 -4.8481 -3.6595 -3.6595 -3.4767 -3.4767 -2.3003 -2.3003 -2.2568 -2.2568 -2.1038 -2.1038 -2.0348 -2.0348 0.1684 0.1684 0.5859 0.5859 0.8632 0.8632 1.2694 1.2694 1.4140 1.4140 2.2678 2.2678 2.4712 2.4712 2.6785 2.6785 2.8903 2.8903 3.1012 3.1012 3.2033 3.2033 3.3794 3.3794 3.5190 3.5190 3.8973 3.8973 4.8270 4.8270 5.1180 5.1180 7.5456 7.5456 7.9204 7.9204 9.0414 9.0414 9.0482 9.0482 9.3618 9.3618 k = 0.5000-0.0000 0.2870 ( 19332 PWs) bands (ev): -14.7952 -14.7952 -14.7470 -14.7470 -5.4285 -5.4285 -4.8324 -4.8324 -3.6602 -3.6602 -3.4766 -3.4766 -2.3024 -2.3024 -2.2548 -2.2548 -2.1047 -2.1047 -2.0334 -2.0334 0.1634 0.1634 0.5782 0.5782 0.8628 0.8628 1.2663 1.2663 1.4147 1.4147 2.2655 2.2655 2.4652 2.4652 2.6794 2.6794 2.8808 2.8808 3.1027 3.1027 3.2182 3.2182 3.3775 3.3775 3.5531 3.5531 3.8817 3.8817 4.8320 4.8320 5.1139 5.1139 7.5556 7.5556 7.9487 7.9487 9.0005 9.0005 9.0167 9.0167 9.2868 9.2868 k = 0.5000-0.0000 0.2701 ( 19352 PWs) bands (ev): -14.7955 -14.7955 -14.7467 -14.7467 -5.4411 -5.4411 -4.8145 -4.8145 -3.6609 -3.6609 -3.4766 -3.4766 -2.3048 -2.3048 -2.2525 -2.2525 -2.1061 -2.1061 -2.0315 -2.0315 0.1575 0.1575 0.5690 0.5690 0.8622 0.8622 1.2627 1.2627 1.4156 1.4156 2.2625 2.2625 2.4587 2.4587 2.6804 2.6804 2.8712 2.8712 3.1027 3.1027 3.2371 3.2371 3.3767 3.3767 3.5900 3.5900 3.8646 3.8646 4.8371 4.8371 5.1090 5.1090 7.5672 7.5672 7.9828 7.9828 8.9462 8.9462 8.9846 8.9846 9.2110 9.2110 k = 0.5000-0.0000 0.2532 ( 19360 PWs) bands (ev): -14.7959 -14.7959 -14.7463 -14.7463 -5.4546 -5.4546 -4.7950 -4.7950 -3.6618 -3.6618 -3.4767 -3.4767 -2.3075 -2.3075 -2.2497 -2.2497 -2.1078 -2.1078 -2.0291 -2.0291 0.1506 0.1506 0.5587 0.5587 0.8616 0.8616 1.2587 1.2587 1.4167 1.4167 2.2589 2.2589 2.4521 2.4521 2.6817 2.6817 2.8619 2.8619 3.1018 3.1018 3.2584 3.2584 3.3767 3.3767 3.6288 3.6288 3.8471 3.8471 4.8419 4.8419 5.1035 5.1035 7.5801 7.5801 8.0219 8.0219 8.8796 8.8796 8.9512 8.9512 9.1394 9.1394 k = 0.5000-0.0000 0.2363 ( 19352 PWs) bands (ev): -14.7962 -14.7962 -14.7460 -14.7460 -5.4687 -5.4687 -4.7743 -4.7743 -3.6627 -3.6627 -3.4768 -3.4768 -2.3103 -2.3103 -2.2467 -2.2467 -2.1100 -2.1100 -2.0264 -2.0264 0.1429 0.1429 0.5475 0.5475 0.8610 0.8610 1.2546 1.2546 1.4179 1.4179 2.2546 2.2546 2.4457 2.4457 2.6833 2.6833 2.8532 2.8532 3.1005 3.1005 3.2806 3.2806 3.3774 3.3774 3.6687 3.6687 3.8306 3.8306 4.8457 4.8457 5.0977 5.0977 7.5940 7.5940 8.0656 8.0656 8.8024 8.8024 8.9174 8.9174 9.0747 9.0747 k = 0.5000-0.0000 0.2194 ( 19342 PWs) bands (ev): -14.7966 -14.7966 -14.7456 -14.7456 -5.4828 -5.4828 -4.7530 -4.7530 -3.6637 -3.6637 -3.4769 -3.4769 -2.3133 -2.3133 -2.2434 -2.2434 -2.1127 -2.1127 -2.0234 -2.0234 0.1345 0.1345 0.5356 0.5356 0.8603 0.8603 1.2503 1.2503 1.4192 1.4192 2.2497 2.2497 2.4399 2.4399 2.6850 2.6850 2.8453 2.8453 3.0993 3.0993 3.3018 3.3018 3.3787 3.3787 3.7090 3.7090 3.8166 3.8166 4.8481 4.8481 5.0917 5.0917 7.6088 7.6088 8.1130 8.1130 8.7175 8.7175 8.8839 8.8839 9.0169 9.0169 k = 0.5000-0.0000 0.2026 ( 19346 PWs) bands (ev): -14.7970 -14.7970 -14.7452 -14.7452 -5.4968 -5.4968 -4.7315 -4.7315 -3.6647 -3.6647 -3.4772 -3.4772 -2.3163 -2.3163 -2.2399 -2.2399 -2.1156 -2.1156 -2.0201 -2.0201 0.1256 0.1256 0.5232 0.5232 0.8596 0.8596 1.2459 1.2459 1.4206 1.4206 2.2443 2.2443 2.4349 2.4349 2.6871 2.6871 2.8381 2.8381 3.0982 3.0982 3.3203 3.3203 3.3804 3.3804 3.7491 3.7491 3.8069 3.8069 4.8485 4.8485 5.0859 5.0859 7.6243 7.6243 8.1630 8.1630 8.6291 8.6291 8.8512 8.8512 8.9647 8.9647 k = 0.5000-0.0000 0.1857 ( 19350 PWs) bands (ev): -14.7974 -14.7974 -14.7448 -14.7448 -5.5104 -5.5104 -4.7101 -4.7101 -3.6657 -3.6657 -3.4775 -3.4775 -2.3192 -2.3192 -2.2362 -2.2362 -2.1189 -2.1189 -2.0166 -2.0166 0.1163 0.1163 0.5107 0.5107 0.8588 0.8588 1.2417 1.2417 1.4221 1.4221 2.2384 2.2384 2.4307 2.4307 2.6893 2.6893 2.8317 2.8317 3.0974 3.0974 3.3350 3.3350 3.3819 3.3819 3.7858 3.7858 3.8057 3.8057 4.8465 4.8465 5.0805 5.0805 7.6403 7.6403 8.2145 8.2145 8.5409 8.5409 8.8199 8.8199 8.9169 8.9169 k = 0.5000-0.0000 0.1688 ( 19370 PWs) bands (ev): -14.7978 -14.7978 -14.7444 -14.7444 -5.5234 -5.5234 -4.6893 -4.6893 -3.6667 -3.6667 -3.4778 -3.4778 -2.3221 -2.3221 -2.2324 -2.2324 -2.1224 -2.1224 -2.0131 -2.0131 0.1068 0.1068 0.4984 0.4984 0.8581 0.8581 1.2376 1.2376 1.4237 1.4237 2.2323 2.2323 2.4274 2.4274 2.6917 2.6917 2.8260 2.8260 3.0969 3.0969 3.3455 3.3455 3.3823 3.3823 3.7997 3.7997 3.8331 3.8331 4.8415 4.8415 5.0759 5.0759 7.6564 7.6564 8.2649 8.2649 8.4568 8.4568 8.7903 8.7903 8.8729 8.8729 k = 0.5000-0.0000 0.1519 ( 19366 PWs) bands (ev): -14.7981 -14.7981 -14.7440 -14.7440 -5.5355 -5.5355 -4.6694 -4.6694 -3.6676 -3.6676 -3.4783 -3.4783 -2.3248 -2.3248 -2.2286 -2.2286 -2.1259 -2.1259 -2.0097 -2.0097 0.0972 0.0972 0.4864 0.4864 0.8574 0.8574 1.2337 1.2337 1.4252 1.4252 2.2262 2.2262 2.4249 2.4249 2.6943 2.6943 2.8211 2.8211 3.0967 3.0967 3.3523 3.3523 3.3804 3.3804 3.8087 3.8087 3.8709 3.8709 4.8334 4.8334 5.0723 5.0723 7.6726 7.6726 8.3031 8.3031 8.3889 8.3889 8.7629 8.7629 8.8323 8.8323 k = 0.5000-0.0000 0.1350 ( 19376 PWs) bands (ev): -14.7985 -14.7985 -14.7437 -14.7437 -5.5467 -5.5467 -4.6507 -4.6507 -3.6685 -3.6685 -3.4788 -3.4788 -2.3274 -2.3274 -2.2249 -2.2249 -2.1295 -2.1295 -2.0063 -2.0063 0.0879 0.0879 0.4751 0.4751 0.8567 0.8567 1.2301 1.2301 1.4268 1.4268 2.2202 2.2202 2.4232 2.4232 2.6970 2.6970 2.8169 2.8169 3.0968 3.0968 3.3560 3.3560 3.3761 3.3761 3.8223 3.8223 3.9087 3.9087 4.8223 4.8223 5.0697 5.0697 7.6886 7.6886 8.2735 8.2735 8.3930 8.3930 8.7377 8.7377 8.7951 8.7951 k = 0.5000-0.0000 0.1182 ( 19396 PWs) bands (ev): -14.7988 -14.7988 -14.7434 -14.7434 -5.5568 -5.5568 -4.6334 -4.6334 -3.6694 -3.6694 -3.4793 -3.4793 -2.3297 -2.3297 -2.2213 -2.2213 -2.1330 -2.1330 -2.0032 -2.0032 0.0789 0.0789 0.4646 0.4646 0.8560 0.8560 1.2269 1.2269 1.4282 1.4282 2.2146 2.2146 2.4221 2.4221 2.6998 2.6998 2.8133 2.8133 3.0972 3.0972 3.3560 3.3560 3.3712 3.3712 3.8394 3.8394 3.9456 3.9456 4.8083 4.8083 5.0682 5.0682 7.7040 7.7040 8.2093 8.2093 8.4358 8.4358 8.7151 8.7151 8.7614 8.7614 k = 0.5000-0.0000 0.1013 ( 19400 PWs) bands (ev): -14.7991 -14.7991 -14.7431 -14.7431 -5.5658 -5.5658 -4.6179 -4.6179 -3.6701 -3.6701 -3.4798 -3.4798 -2.3318 -2.3318 -2.2179 -2.2179 -2.1363 -2.1363 -2.0003 -2.0003 0.0705 0.0705 0.4551 0.4551 0.8554 0.8554 1.2240 1.2240 1.4296 1.4296 2.2094 2.2094 2.4215 2.4215 2.7025 2.7025 2.8102 2.8102 3.0978 3.0978 3.3503 3.3503 3.3691 3.3691 3.8582 3.8582 3.9811 3.9811 4.7923 4.7923 5.0674 5.0674 7.7186 7.7186 8.1476 8.1476 8.4799 8.4799 8.6951 8.6951 8.7315 8.7315 k = 0.5000-0.0000 0.0844 ( 19390 PWs) bands (ev): -14.7994 -14.7994 -14.7428 -14.7428 -5.5735 -5.5735 -4.6043 -4.6043 -3.6708 -3.6708 -3.4804 -3.4804 -2.3336 -2.3336 -2.2148 -2.2148 -2.1393 -2.1393 -1.9978 -1.9978 0.0630 0.0630 0.4469 0.4469 0.8549 0.8549 1.2215 1.2215 1.4308 1.4308 2.2049 2.2049 2.4212 2.4212 2.7050 2.7050 2.8077 2.8077 3.0986 3.0986 3.3409 3.3409 3.3694 3.3694 3.8766 3.8766 4.0148 4.0148 4.7750 4.7750 5.0673 5.0673 7.7322 7.7322 8.0930 8.0930 8.5205 8.5205 8.6778 8.6778 8.7058 8.7058 k = 0.5000-0.0000 0.0675 ( 19386 PWs) bands (ev): -14.7996 -14.7996 -14.7426 -14.7426 -5.5799 -5.5799 -4.5929 -4.5929 -3.6714 -3.6714 -3.4809 -3.4809 -2.3352 -2.3352 -2.2121 -2.2121 -2.1419 -2.1419 -1.9957 -1.9957 0.0565 0.0565 0.4400 0.4400 0.8545 0.8545 1.2194 1.2194 1.4319 1.4319 2.2011 2.2011 2.4212 2.4212 2.7073 2.7073 2.8057 2.8057 3.0995 3.0995 3.3308 3.3308 3.3701 3.3701 3.8934 3.8934 4.0455 4.0455 4.7576 4.7576 5.0676 5.0676 7.7443 7.7443 8.0467 8.0467 8.5557 8.5557 8.6633 8.6633 8.6844 8.6844 k = 0.5000-0.0000 0.0506 ( 19394 PWs) bands (ev): -14.7998 -14.7998 -14.7424 -14.7424 -5.5849 -5.5849 -4.5839 -4.5839 -3.6718 -3.6718 -3.4813 -3.4813 -2.3363 -2.3363 -2.2098 -2.2098 -2.1441 -2.1441 -1.9940 -1.9940 0.0513 0.0513 0.4345 0.4345 0.8541 0.8541 1.2178 1.2178 1.4328 1.4328 2.1980 2.1980 2.4212 2.4212 2.7092 2.7092 2.8041 2.8041 3.1003 3.1003 3.3217 3.3217 3.3708 3.3708 3.9073 3.9073 4.0720 4.0720 4.7415 4.7415 5.0680 5.0680 7.7546 7.7546 8.0097 8.0097 8.5843 8.5843 8.6513 8.6513 8.6679 8.6679 k = 0.5000-0.0000 0.0338 ( 19382 PWs) bands (ev): -14.7999 -14.7999 -14.7423 -14.7423 -5.5885 -5.5885 -4.5773 -4.5773 -3.6721 -3.6721 -3.4816 -3.4816 -2.3372 -2.3372 -2.2081 -2.2081 -2.1458 -2.1458 -1.9927 -1.9927 0.0474 0.0474 0.4306 0.4306 0.8539 0.8539 1.2166 1.2166 1.4334 1.4334 2.1958 2.1958 2.4214 2.4214 2.7107 2.7107 2.8031 2.8031 3.1011 3.1011 3.3146 3.3146 3.3714 3.3714 3.9176 3.9176 4.0926 4.0926 4.7284 4.7284 5.0684 5.0684 7.7627 7.7627 7.9825 7.9825 8.6057 8.6057 8.6421 8.6421 8.6564 8.6564 k = 0.5000-0.0000 0.0169 ( 19374 PWs) bands (ev): -14.8000 -14.8000 -14.7422 -14.7422 -5.5907 -5.5907 -4.5734 -4.5734 -3.6723 -3.6723 -3.4818 -3.4818 -2.3377 -2.3377 -2.2071 -2.2071 -2.1468 -2.1468 -1.9920 -1.9920 0.0451 0.0451 0.4282 0.4282 0.8537 0.8537 1.2159 1.2159 1.4338 1.4338 2.1944 2.1944 2.4214 2.4214 2.7116 2.7116 2.8024 2.8024 3.1016 3.1016 3.3101 3.3101 3.3717 3.3717 3.9239 3.9239 4.1058 4.1058 4.7198 4.7198 5.0687 5.0687 7.7678 7.7678 7.9657 7.9657 8.6194 8.6194 8.6355 8.6355 8.6498 8.6498 k = 0.5000-0.0000-0.0000 ( 19348 PWs) bands (ev): -14.8000 -14.8000 -14.7422 -14.7422 -5.5914 -5.5914 -4.5720 -4.5720 -3.6724 -3.6724 -3.4818 -3.4818 -2.3379 -2.3379 -2.2067 -2.2067 -2.1472 -2.1472 -1.9917 -1.9917 0.0443 0.0443 0.4274 0.4274 0.8537 0.8537 1.2157 1.2157 1.4339 1.4339 2.1940 2.1940 2.4215 2.4215 2.7119 2.7119 2.8022 2.8022 3.1017 3.1017 3.3085 3.3085 3.3718 3.3718 3.9261 3.9261 4.1104 4.1104 4.7167 4.7167 5.0688 5.0688 7.7696 7.7696 7.9601 7.9601 8.6249 8.6249 8.6323 8.6323 8.6477 8.6477 k = 0.5000 0.4288-0.0000 ( 19300 PWs) bands (ev): -14.7705 -14.7705 -14.7705 -14.7705 -5.0968 -5.0968 -5.0968 -5.0968 -3.6187 -3.6187 -3.6187 -3.6187 -2.3210 -2.3210 -2.3210 -2.3210 -2.1161 -2.1161 -2.1161 -2.1161 0.6908 0.6908 0.6908 0.6908 1.2923 1.2923 1.2923 1.2923 1.5242 1.5242 1.5242 1.5242 2.3347 2.3347 2.3347 2.3347 2.9195 2.9195 2.9195 2.9195 3.0858 3.0858 3.0858 3.0858 4.1179 4.1179 4.1179 4.1179 4.6893 4.6893 4.6893 4.6893 8.6415 8.6415 8.6415 8.6415 9.3064 9.3064 9.3064 9.3064 9.7324 9.7324 k = 0.5000 0.4288 0.0169 ( 19320 PWs) bands (ev): -14.7705 -14.7705 -14.7705 -14.7705 -5.0967 -5.0967 -5.0967 -5.0967 -3.6188 -3.6188 -3.6188 -3.6188 -2.3215 -2.3215 -2.3215 -2.3215 -2.1159 -2.1159 -2.1159 -2.1159 0.6903 0.6903 0.6903 0.6903 1.2924 1.2924 1.2924 1.2924 1.5241 1.5241 1.5241 1.5241 2.3350 2.3350 2.3350 2.3350 2.9195 2.9195 2.9195 2.9195 3.0861 3.0861 3.0861 3.0861 4.1202 4.1202 4.1202 4.1202 4.6903 4.6903 4.6903 4.6903 8.6323 8.6323 8.6323 8.6323 9.2879 9.2879 9.2879 9.2879 9.7407 9.7407 k = 0.5000 0.4288 0.0338 ( 19332 PWs) bands (ev): -14.7705 -14.7705 -14.7705 -14.7705 -5.0963 -5.0963 -5.0963 -5.0963 -3.6193 -3.6193 -3.6193 -3.6193 -2.3229 -2.3229 -2.3229 -2.3229 -2.1151 -2.1151 -2.1151 -2.1151 0.6888 0.6888 0.6888 0.6888 1.2927 1.2927 1.2927 1.2927 1.5239 1.5239 1.5239 1.5239 2.3360 2.3360 2.3360 2.3360 2.9197 2.9197 2.9197 2.9197 3.0869 3.0869 3.0869 3.0869 4.1268 4.1268 4.1268 4.1268 4.6933 4.6933 4.6933 4.6933 8.6056 8.6056 8.6056 8.6056 9.2371 9.2371 9.2371 9.2371 9.7623 9.7623 k = 0.5000 0.4288 0.0506 ( 19320 PWs) bands (ev): -14.7705 -14.7705 -14.7705 -14.7705 -5.0956 -5.0956 -5.0956 -5.0956 -3.6201 -3.6201 -3.6201 -3.6201 -2.3252 -2.3252 -2.3252 -2.3252 -2.1138 -2.1138 -2.1138 -2.1138 0.6864 0.6864 0.6864 0.6864 1.2932 1.2932 1.2932 1.2932 1.5237 1.5237 1.5237 1.5237 2.3375 2.3375 2.3375 2.3375 2.9200 2.9200 2.9200 2.9200 3.0881 3.0881 3.0881 3.0881 4.1379 4.1379 4.1379 4.1379 4.6982 4.6982 4.6982 4.6982 8.5640 8.5640 8.5640 8.5640 9.1630 9.1630 9.1630 9.1630 9.7909 9.7909 k = 0.5000 0.4288 0.0675 ( 19332 PWs) bands (ev): -14.7705 -14.7705 -14.7705 -14.7705 -5.0946 -5.0946 -5.0946 -5.0946 -3.6211 -3.6211 -3.6211 -3.6211 -2.3283 -2.3283 -2.3283 -2.3283 -2.1121 -2.1121 -2.1121 -2.1121 0.6832 0.6832 0.6832 0.6832 1.2939 1.2939 1.2939 1.2939 1.5233 1.5233 1.5233 1.5233 2.3396 2.3396 2.3396 2.3396 2.9203 2.9203 2.9203 2.9203 3.0898 3.0898 3.0898 3.0898 4.1531 4.1531 4.1531 4.1531 4.7052 4.7052 4.7052 4.7052 8.5105 8.5105 8.5105 8.5105 9.0733 9.0733 9.0733 9.0733 9.8220 9.8220 k = 0.5000 0.4288 0.0844 ( 19336 PWs) bands (ev): -14.7705 -14.7705 -14.7705 -14.7705 -5.0934 -5.0934 -5.0934 -5.0934 -3.6224 -3.6224 -3.6224 -3.6224 -2.3322 -2.3322 -2.3322 -2.3322 -2.1100 -2.1100 -2.1100 -2.1100 0.6791 0.6791 0.6791 0.6791 1.2948 1.2948 1.2948 1.2948 1.5229 1.5229 1.5229 1.5229 2.3422 2.3422 2.3422 2.3422 2.9207 2.9207 2.9207 2.9207 3.0919 3.0919 3.0919 3.0919 4.1724 4.1724 4.1724 4.1724 4.7141 4.7141 4.7141 4.7141 8.4483 8.4483 8.4483 8.4483 8.9731 8.9731 8.9731 8.9731 9.8529 9.8529 k = 0.5000 0.4288 0.1013 ( 19356 PWs) bands (ev): -14.7705 -14.7705 -14.7705 -14.7705 -5.0920 -5.0920 -5.0920 -5.0920 -3.6240 -3.6240 -3.6240 -3.6240 -2.3366 -2.3366 -2.3366 -2.3366 -2.1076 -2.1076 -2.1076 -2.1076 0.6744 0.6744 0.6744 0.6744 1.2958 1.2958 1.2958 1.2958 1.5224 1.5224 1.5224 1.5224 2.3452 2.3452 2.3452 2.3452 2.9211 2.9211 2.9211 2.9211 3.0942 3.0942 3.0942 3.0942 4.1955 4.1955 4.1955 4.1955 4.7250 4.7250 4.7250 4.7250 8.3803 8.3803 8.3803 8.3803 8.8658 8.8658 8.8658 8.8658 9.8820 9.8820 k = 0.5000 0.4288 0.1182 ( 19360 PWs) bands (ev): -14.7705 -14.7705 -14.7705 -14.7705 -5.0904 -5.0904 -5.0904 -5.0904 -3.6257 -3.6257 -3.6257 -3.6257 -2.3416 -2.3416 -2.3416 -2.3416 -2.1050 -2.1050 -2.1050 -2.1050 0.6691 0.6691 0.6691 0.6691 1.2969 1.2969 1.2969 1.2969 1.5218 1.5218 1.5218 1.5218 2.3485 2.3485 2.3485 2.3485 2.9216 2.9216 2.9216 2.9216 3.0968 3.0968 3.0968 3.0968 4.2221 4.2221 4.2221 4.2221 4.7379 4.7379 4.7379 4.7379 8.3086 8.3086 8.3086 8.3086 8.7540 8.7540 8.7540 8.7540 9.9086 9.9086 k = 0.5000 0.4288 0.1350 ( 19336 PWs) bands (ev): -14.7705 -14.7705 -14.7705 -14.7705 -5.0886 -5.0886 -5.0886 -5.0886 -3.6276 -3.6276 -3.6276 -3.6276 -2.3470 -2.3470 -2.3470 -2.3470 -2.1022 -2.1022 -2.1022 -2.1022 0.6634 0.6634 0.6634 0.6634 1.2981 1.2981 1.2981 1.2981 1.5212 1.5212 1.5212 1.5212 2.3520 2.3520 2.3520 2.3520 2.9221 2.9221 2.9221 2.9221 3.0995 3.0995 3.0995 3.0995 4.2517 4.2517 4.2517 4.2517 4.7526 4.7526 4.7526 4.7526 8.2351 8.2351 8.2351 8.2351 8.6396 8.6396 8.6396 8.6396 9.9328 9.9328 k = 0.5000 0.4288 0.1519 ( 19320 PWs) bands (ev): -14.7705 -14.7705 -14.7705 -14.7705 -5.0867 -5.0867 -5.0867 -5.0867 -3.6297 -3.6297 -3.6297 -3.6297 -2.3526 -2.3526 -2.3526 -2.3526 -2.0993 -2.0993 -2.0993 -2.0993 0.6574 0.6574 0.6574 0.6574 1.2993 1.2993 1.2993 1.2993 1.5205 1.5205 1.5205 1.5205 2.3557 2.3557 2.3557 2.3557 2.9226 2.9226 2.9226 2.9226 3.1023 3.1023 3.1023 3.1023 4.2837 4.2837 4.2837 4.2837 4.7693 4.7693 4.7693 4.7693 8.1612 8.1612 8.1612 8.1612 8.5246 8.5246 8.5246 8.5246 9.9546 9.9546 k = 0.5000 0.4288 0.1688 ( 19320 PWs) bands (ev): -14.7705 -14.7705 -14.7705 -14.7705 -5.0848 -5.0848 -5.0848 -5.0848 -3.6318 -3.6318 -3.6318 -3.6318 -2.3583 -2.3583 -2.3583 -2.3583 -2.0964 -2.0964 -2.0964 -2.0964 0.6513 0.6513 0.6513 0.6513 1.3007 1.3007 1.3007 1.3007 1.5199 1.5199 1.5199 1.5199 2.3594 2.3594 2.3594 2.3594 2.9231 2.9231 2.9231 2.9231 3.1051 3.1051 3.1051 3.1051 4.3177 4.3177 4.3177 4.3177 4.7879 4.7879 4.7879 4.7879 8.0880 8.0880 8.0880 8.0880 8.4105 8.4105 8.4105 8.4105 9.9745 9.9745 k = 0.5000 0.4288 0.1857 ( 19308 PWs) bands (ev): -14.7705 -14.7705 -14.7705 -14.7705 -5.0827 -5.0827 -5.0827 -5.0827 -3.6340 -3.6340 -3.6340 -3.6340 -2.3641 -2.3641 -2.3641 -2.3641 -2.0936 -2.0936 -2.0936 -2.0936 0.6451 0.6451 0.6451 0.6451 1.3020 1.3020 1.3020 1.3020 1.5192 1.5192 1.5192 1.5192 2.3632 2.3632 2.3632 2.3632 2.9235 2.9235 2.9235 2.9235 3.1078 3.1078 3.1078 3.1078 4.3528 4.3528 4.3528 4.3528 4.8084 4.8084 4.8084 4.8084 8.0161 8.0161 8.0161 8.0161 8.2989 8.2989 8.2989 8.2989 9.9925 9.9925 k = 0.5000 0.4288 0.2026 ( 19308 PWs) bands (ev): -14.7705 -14.7705 -14.7705 -14.7705 -5.0807 -5.0807 -5.0807 -5.0807 -3.6362 -3.6362 -3.6362 -3.6362 -2.3698 -2.3698 -2.3698 -2.3698 -2.0908 -2.0908 -2.0908 -2.0908 0.6391 0.6391 0.6391 0.6391 1.3033 1.3033 1.3033 1.3033 1.5186 1.5186 1.5186 1.5186 2.3668 2.3668 2.3668 2.3668 2.9239 2.9239 2.9239 2.9239 3.1104 3.1104 3.1104 3.1104 4.3882 4.3882 4.3882 4.3882 4.8305 4.8305 4.8305 4.8305 7.9463 7.9463 7.9463 7.9463 8.1914 8.1914 8.1914 8.1914 10.0090 10.0090 k = 0.5000 0.4288 0.2194 ( 19312 PWs) bands (ev): -14.7705 -14.7705 -14.7705 -14.7705 -5.0787 -5.0787 -5.0787 -5.0787 -3.6384 -3.6384 -3.6384 -3.6384 -2.3753 -2.3753 -2.3753 -2.3753 -2.0882 -2.0882 -2.0882 -2.0882 0.6332 0.6332 0.6332 0.6332 1.3046 1.3046 1.3046 1.3046 1.5180 1.5180 1.5180 1.5180 2.3703 2.3703 2.3703 2.3703 2.9243 2.9243 2.9243 2.9243 3.1128 3.1128 3.1128 3.1128 4.4230 4.4230 4.4230 4.4230 4.8543 4.8543 4.8543 4.8543 7.8786 7.8786 7.8786 7.8786 8.0900 8.0900 8.0900 8.0900 10.0240 10.0240 k = 0.5000 0.4288 0.2363 ( 19320 PWs) bands (ev): -14.7705 -14.7705 -14.7705 -14.7705 -5.0767 -5.0767 -5.0767 -5.0767 -3.6404 -3.6404 -3.6404 -3.6404 -2.3805 -2.3805 -2.3805 -2.3805 -2.0857 -2.0857 -2.0857 -2.0857 0.6277 0.6277 0.6277 0.6277 1.3058 1.3058 1.3058 1.3058 1.5174 1.5174 1.5174 1.5174 2.3736 2.3736 2.3736 2.3736 2.9247 2.9247 2.9247 2.9247 3.1151 3.1151 3.1151 3.1151 4.4565 4.4565 4.4565 4.4565 4.8793 4.8793 4.8793 4.8793 7.8131 7.8131 7.8131 7.8131 7.9966 7.9966 7.9966 7.9966 10.0375 10.0375 k = 0.5000 0.4288 0.2532 ( 19320 PWs) bands (ev): -14.7705 -14.7705 -14.7705 -14.7705 -5.0749 -5.0749 -5.0749 -5.0749 -3.6424 -3.6424 -3.6424 -3.6424 -2.3853 -2.3853 -2.3853 -2.3853 -2.0835 -2.0835 -2.0835 -2.0835 0.6226 0.6226 0.6226 0.6226 1.3069 1.3069 1.3069 1.3069 1.5169 1.5169 1.5169 1.5169 2.3766 2.3766 2.3766 2.3766 2.9250 2.9250 2.9250 2.9250 3.1171 3.1171 3.1171 3.1171 4.4876 4.4876 4.4876 4.4876 4.9051 4.9051 4.9051 4.9051 7.7494 7.7494 7.7494 7.7494 7.9134 7.9134 7.9134 7.9134 10.0496 10.0496 k = 0.5000 0.4288 0.2701 ( 19304 PWs) bands (ev): -14.7705 -14.7705 -14.7705 -14.7705 -5.0733 -5.0733 -5.0733 -5.0733 -3.6442 -3.6442 -3.6442 -3.6442 -2.3897 -2.3897 -2.3897 -2.3897 -2.0815 -2.0815 -2.0815 -2.0815 0.6180 0.6180 0.6180 0.6180 1.3079 1.3079 1.3079 1.3079 1.5165 1.5165 1.5165 1.5165 2.3792 2.3792 2.3792 2.3792 2.9252 2.9252 2.9252 2.9252 3.1188 3.1188 3.1188 3.1188 4.5157 4.5157 4.5157 4.5157 4.9309 4.9309 4.9309 4.9309 7.6878 7.6878 7.6878 7.6878 7.8423 7.8423 7.8423 7.8423 10.0603 10.0603 k = 0.5000 0.4288 0.2870 ( 19316 PWs) bands (ev): -14.7705 -14.7705 -14.7705 -14.7705 -5.0718 -5.0718 -5.0718 -5.0718 -3.6457 -3.6457 -3.6457 -3.6457 -2.3935 -2.3935 -2.3935 -2.3935 -2.0798 -2.0798 -2.0798 -2.0798 0.6140 0.6140 0.6140 0.6140 1.3088 1.3088 1.3088 1.3088 1.5160 1.5160 1.5160 1.5160 2.3816 2.3816 2.3816 2.3816 2.9254 2.9254 2.9254 2.9254 3.1203 3.1203 3.1203 3.1203 4.5402 4.5402 4.5402 4.5402 4.9559 4.9559 4.9559 4.9559 7.6294 7.6294 7.6294 7.6294 7.7840 7.7840 7.7840 7.7840 10.0694 10.0694 k = 0.5000 0.4288 0.3039 ( 19332 PWs) bands (ev): -14.7705 -14.7705 -14.7705 -14.7705 -5.0706 -5.0706 -5.0706 -5.0706 -3.6471 -3.6471 -3.6471 -3.6471 -2.3967 -2.3967 -2.3967 -2.3967 -2.0783 -2.0783 -2.0783 -2.0783 0.6106 0.6106 0.6106 0.6106 1.3096 1.3096 1.3096 1.3096 1.5157 1.5157 1.5157 1.5157 2.3835 2.3835 2.3835 2.3835 2.9256 2.9256 2.9256 2.9256 3.1215 3.1215 3.1215 3.1215 4.5607 4.5607 4.5607 4.5607 4.9787 4.9787 4.9787 4.9787 7.5764 7.5764 7.5764 7.5764 7.7382 7.7382 7.7382 7.7382 10.0771 10.0771 k = 0.5000 0.4288 0.3207 ( 19340 PWs) bands (ev): -14.7705 -14.7705 -14.7705 -14.7705 -5.0696 -5.0696 -5.0696 -5.0696 -3.6481 -3.6481 -3.6481 -3.6481 -2.3992 -2.3992 -2.3992 -2.3992 -2.0772 -2.0772 -2.0772 -2.0772 0.6079 0.6079 0.6079 0.6079 1.3102 1.3102 1.3102 1.3102 1.5154 1.5154 1.5154 1.5154 2.3851 2.3851 2.3851 2.3851 2.9257 2.9257 2.9257 2.9257 3.1225 3.1225 3.1225 3.1225 4.5768 4.5768 4.5768 4.5768 4.9983 4.9983 4.9983 4.9983 7.5318 7.5318 7.5318 7.5318 7.7038 7.7038 7.7038 7.7038 10.0831 10.0831 k = 0.5000 0.4288 0.3376 ( 19336 PWs) bands (ev): -14.7705 -14.7705 -14.7705 -14.7705 -5.0688 -5.0688 -5.0688 -5.0688 -3.6489 -3.6489 -3.6489 -3.6489 -2.4011 -2.4011 -2.4011 -2.4011 -2.0763 -2.0763 -2.0763 -2.0763 0.6060 0.6060 0.6060 0.6060 1.3106 1.3106 1.3106 1.3106 1.5152 1.5152 1.5152 1.5152 2.3862 2.3862 2.3862 2.3862 2.9258 2.9258 2.9258 2.9258 3.1232 3.1232 3.1232 3.1232 4.5884 4.5884 4.5884 4.5884 5.0134 5.0134 5.0134 5.0134 7.4981 7.4981 7.4981 7.4981 7.6798 7.6798 7.6798 7.6798 10.0875 10.0875 k = 0.5000 0.4288 0.3545 ( 19328 PWs) bands (ev): -14.7705 -14.7705 -14.7705 -14.7705 -5.0684 -5.0684 -5.0684 -5.0684 -3.6494 -3.6494 -3.6494 -3.6494 -2.4022 -2.4022 -2.4022 -2.4022 -2.0758 -2.0758 -2.0758 -2.0758 0.6048 0.6048 0.6048 0.6048 1.3109 1.3109 1.3109 1.3109 1.5151 1.5151 1.5151 1.5151 2.3869 2.3869 2.3869 2.3869 2.9259 2.9259 2.9259 2.9259 3.1236 3.1236 3.1236 3.1236 4.5954 4.5954 4.5954 4.5954 5.0229 5.0229 5.0229 5.0229 7.4771 7.4771 7.4771 7.4771 7.6657 7.6657 7.6657 7.6657 10.0901 10.0901 k = 0.5000 0.4288 0.3714 ( 19312 PWs) bands (ev): -14.7705 -14.7705 -14.7705 -14.7705 -5.0682 -5.0682 -5.0682 -5.0682 -3.6496 -3.6496 -3.6496 -3.6496 -2.4026 -2.4026 -2.4026 -2.4026 -2.0757 -2.0757 -2.0757 -2.0757 0.6045 0.6045 0.6045 0.6045 1.3110 1.3110 1.3110 1.3110 1.5151 1.5151 1.5151 1.5151 2.3871 2.3871 2.3871 2.3871 2.9259 2.9259 2.9259 2.9259 3.1237 3.1237 3.1237 3.1237 4.5977 4.5977 4.5977 4.5977 5.0261 5.0261 5.0261 5.0261 7.4700 7.4700 7.4700 7.4700 7.6610 7.6610 7.6610 7.6610 10.0910 10.0910 Writing output data file CsTeAu.save init_run : 0.71s CPU 0.91s WALL ( 1 calls) electrons : 757.64s CPU 764.20s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.06s CPU 0.10s WALL ( 1 calls) Called by electrons: c_bands : 757.63s CPU 764.19s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.01s WALL ( 1 calls) newd : 0.28s CPU 0.32s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.15s CPU 0.25s WALL ( 324 calls) cegterg : 710.64s CPU 715.93s WALL ( 765 calls) Called by sum_band: Called by *egterg: h_psi : 469.87s CPU 475.12s WALL ( 13352 calls) s_psi : 20.65s CPU 20.49s WALL ( 13352 calls) g_psi : 1.06s CPU 0.99s WALL ( 12263 calls) cdiaghg : 171.04s CPU 171.48s WALL ( 12587 calls) cegterg:over : 32.10s CPU 32.25s WALL ( 12263 calls) cegterg:upda : 27.91s CPU 27.89s WALL ( 12263 calls) cegterg:last : 14.06s CPU 14.01s WALL ( 1824 calls) cdiaghg:chol : 7.51s CPU 7.57s WALL ( 12587 calls) cdiaghg:inve : 4.56s CPU 4.56s WALL ( 12587 calls) cdiaghg:para : 9.70s CPU 9.68s WALL ( 25174 calls) Called by h_psi: h_psi:vloc : 405.16s CPU 410.34s WALL ( 13352 calls) h_psi:vnl : 63.75s CPU 63.83s WALL ( 13352 calls) add_vuspsi : 36.61s CPU 36.48s WALL ( 13352 calls) General routines calbec : 27.07s CPU 27.31s WALL ( 13352 calls) fft : 0.02s CPU 0.02s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 384.20s CPU 388.92s WALL ( 1376040 calls) interpolate : 0.01s CPU 0.01s WALL ( 4 calls) davcio : 0.34s CPU 0.55s WALL ( 648 calls) Parallel routines fft_scatter : 196.06s CPU 198.24s WALL ( 1376063 calls) PWSCF : 13m45.58s CPU 14m18.06s WALL This run was terminated on: 20:21:38 30Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=