Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 16:44:34 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 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./ZrCd3.save/ file Cd.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4D 4D 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: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 98 30 9 4294 740 121 Max 100 31 10 4297 765 126 Sum 3545 1101 333 154617 27049 4433 bravais-lattice index = 14 lattice parameter (alat) = 8.3433 a.u. unit-cell volume = 566.5686 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 2 number of electrons = 40.00 number of Kohn-Sham states= 48 kinetic-energy cutoff = 50.0000 Ry charge density cutoff = 639.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.343329 celldm(2)= 1.000000 celldm(3)= 0.975516 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= 0.000000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.000000 1.000000 0.000000 ) a(3) = ( 0.000000 0.000000 0.975516 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 1.000000 -0.000000 ) b(3) = ( 0.000000 0.000000 1.025099 ) PseudoPot. # 1 for Zr read from file: /users/gautes/Pseudo/Zr.rel-pbe-n-nc.UPF MD5 check sum: 453101d5cee66cf3691e2371f73c5d7d Pseudo is Norm-conserving + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1225 points, 4 beta functions with: l(1) = 1 l(2) = 1 l(3) = 2 l(4) = 2 PseudoPot. # 2 for Cd read from file: /users/gautes/Pseudo/Cd.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 1d41bce1441572f114805845d9d822b0 Pseudo is Ultrasoft + core correction, Zval = 12.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1239 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Zr 4.00 91.22400 Zr( 1.00) Cd 12.00 112.41100 Cd( 1.00) 16 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 3 180 deg rotation - cart. axis [0,1,0] cryst. s( 3) = ( -1 0 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s( 3) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) 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 = 5 180 deg rotation - cart. axis [1,1,0] cryst. s( 5) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s( 5) = ( 0.0000000 1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 6 180 deg rotation - cart. axis [1,-1,0] cryst. s( 6) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s( 6) = ( -0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 7 90 deg rotation - cart. axis [0,0,-1] cryst. s( 7) = ( 0 -1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s( 7) = ( -0.0000000 1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 8 90 deg rotation - cart. axis [0,0,1] cryst. s( 8) = ( 0 1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s( 8) = ( 0.0000000 -1.0000000 0.0000000 ) ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 9 inversion cryst. s( 9) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 9) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 10 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s(10) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s(10) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 11 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s(11) = ( 1 0 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s(11) = ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 12 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s(12) = ( -1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s(12) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 13 inv. 180 deg rotation - cart. axis [1,1,0] cryst. s(13) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s(13) = ( -0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 14 inv. 180 deg rotation - cart. axis [1,-1,0] cryst. s(14) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s(14) = ( 0.0000000 1.0000000 0.0000000 ) ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 15 inv. 90 deg rotation - cart. axis [0,0,-1] cryst. s(15) = ( 0 1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s(15) = ( 0.0000000 -1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 16 inv. 90 deg rotation - cart. axis [0,0,1] cryst. s(16) = ( 0 -1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s(16) = ( -0.0000000 1.0000000 -0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group D_4h(4/mmm) there are 14 classes and 4 irreducible representations the character table: E -E 2C4 -2C4 C2 2C2' 2C2'' i -i 2S4 -2S4 s_h -C2 -2C2' -2C2' -s_h G_6+ 2.00 -2.00 1.41 -1.41 0.00 0.00 0.00 2.00 -2.00 1.41 -1.41 0.00 G_7+ 2.00 -2.00 -1.41 1.41 0.00 0.00 0.00 2.00 -2.00 -1.41 1.41 0.00 G_6- 2.00 -2.00 1.41 -1.41 0.00 0.00 0.00 -2.00 2.00 -1.41 1.41 0.00 G_7- 2.00 -2.00 -1.41 1.41 0.00 0.00 0.00 -2.00 2.00 1.41 -1.41 0.00 2s_v 2s_d -2s_v -2s_d G_6+ 0.00 0.00 G_7+ 0.00 0.00 G_6- 0.00 0.00 G_7- 0.00 0.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E 2C4 7 8 90 deg rotation - cart. axis [0,0,-1] -2C4 -7 -8 90 deg rotation - cart. axis [0,0,-1] E C2 -C2 2 -2 180 deg rotation - cart. axis [0,0,1] 2C2'-2C2' 3 -3 4 -4 180 deg rotation - cart. axis [0,1,0] 2C2''-2C2' 5 -5 6 -6 180 deg rotation - cart. axis [1,1,0] i 9 inversion -i -9 inversion E 2S4 15 16 inv. 90 deg rotation - cart. axis [0,0,-1] -2S4 -15 -16 inv. 90 deg rotation - cart. axis [0,0,-1] E s_h -s_h 10 -10 inv. 180 deg rotation - cart. axis [0,0,1] 2s_v-2s_v 11 -11 12 -12 inv. 180 deg rotation - cart. axis [0,1,0] 2s_d-2s_d 13 -13 14 -14 inv. 180 deg rotation - cart. axis [1,1,0] Cartesian axes number of k points= 366 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027322 k( 2) = ( 0.0000000 0.0138889 -0.0000000), wk = 0.0027322 k( 3) = ( 0.0000000 0.0277778 -0.0000000), wk = 0.0027322 k( 4) = ( 0.0000000 0.0416667 -0.0000000), wk = 0.0027322 k( 5) = ( 0.0000000 0.0555556 -0.0000000), wk = 0.0027322 k( 6) = ( 0.0000000 0.0694444 -0.0000000), wk = 0.0027322 k( 7) = ( 0.0000000 0.0833333 -0.0000000), wk = 0.0027322 k( 8) = ( 0.0000000 0.0972222 -0.0000000), wk = 0.0027322 k( 9) = ( 0.0000000 0.1111111 -0.0000000), wk = 0.0027322 k( 10) = ( 0.0000000 0.1250000 -0.0000000), wk = 0.0027322 k( 11) = ( 0.0000000 0.1388889 -0.0000000), wk = 0.0027322 k( 12) = ( 0.0000000 0.1527778 -0.0000000), wk = 0.0027322 k( 13) = ( 0.0000000 0.1666667 -0.0000000), wk = 0.0027322 k( 14) = ( 0.0000000 0.1805556 -0.0000000), wk = 0.0027322 k( 15) = ( 0.0000000 0.1944444 -0.0000000), wk = 0.0027322 k( 16) = ( 0.0000000 0.2083333 -0.0000000), wk = 0.0027322 k( 17) = ( 0.0000000 0.2222222 -0.0000000), wk = 0.0027322 k( 18) = ( 0.0000000 0.2361111 -0.0000000), wk = 0.0027322 k( 19) = ( 0.0000000 0.2500000 -0.0000000), wk = 0.0027322 k( 20) = ( 0.0000000 0.2638889 -0.0000000), wk = 0.0027322 k( 21) = ( 0.0000000 0.2777778 -0.0000000), wk = 0.0027322 k( 22) = ( 0.0000000 0.2916667 -0.0000000), wk = 0.0027322 k( 23) = ( 0.0000000 0.3055556 -0.0000000), wk = 0.0027322 k( 24) = ( 0.0000000 0.3194444 -0.0000000), wk = 0.0027322 k( 25) = ( 0.0000000 0.3333333 -0.0000000), wk = 0.0027322 k( 26) = ( 0.0000000 0.3472222 -0.0000000), wk = 0.0027322 k( 27) = ( 0.0000000 0.3611111 -0.0000000), wk = 0.0027322 k( 28) = ( 0.0000000 0.3750000 -0.0000000), wk = 0.0027322 k( 29) = ( 0.0000000 0.3888889 -0.0000000), wk = 0.0027322 k( 30) = ( 0.0000000 0.4027778 -0.0000000), wk = 0.0027322 k( 31) = ( 0.0000000 0.4166667 -0.0000000), wk = 0.0027322 k( 32) = ( 0.0000000 0.4305556 -0.0000000), wk = 0.0027322 k( 33) = ( 0.0000000 0.4444444 -0.0000000), wk = 0.0027322 k( 34) = ( 0.0000000 0.4583333 -0.0000000), wk = 0.0027322 k( 35) = ( 0.0000000 0.4722222 -0.0000000), wk = 0.0027322 k( 36) = ( 0.0000000 0.4861111 -0.0000000), wk = 0.0027322 k( 37) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0027322 k( 38) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0027322 k( 39) = ( 0.0138889 0.5000000 -0.0000000), wk = 0.0027322 k( 40) = ( 0.0277778 0.5000000 -0.0000000), wk = 0.0027322 k( 41) = ( 0.0416667 0.5000000 -0.0000000), wk = 0.0027322 k( 42) = ( 0.0555556 0.5000000 -0.0000000), wk = 0.0027322 k( 43) = ( 0.0694444 0.5000000 -0.0000000), wk = 0.0027322 k( 44) = ( 0.0833333 0.5000000 -0.0000000), wk = 0.0027322 k( 45) = ( 0.0972222 0.5000000 -0.0000000), wk = 0.0027322 k( 46) = ( 0.1111111 0.5000000 -0.0000000), wk = 0.0027322 k( 47) = ( 0.1250000 0.5000000 -0.0000000), wk = 0.0027322 k( 48) = ( 0.1388889 0.5000000 -0.0000000), wk = 0.0027322 k( 49) = ( 0.1527778 0.5000000 -0.0000000), wk = 0.0027322 k( 50) = ( 0.1666667 0.5000000 -0.0000000), wk = 0.0027322 k( 51) = ( 0.1805556 0.5000000 -0.0000000), wk = 0.0027322 k( 52) = ( 0.1944444 0.5000000 -0.0000000), wk = 0.0027322 k( 53) = ( 0.2083333 0.5000000 -0.0000000), wk = 0.0027322 k( 54) = ( 0.2222222 0.5000000 -0.0000000), wk = 0.0027322 k( 55) = ( 0.2361111 0.5000000 -0.0000000), wk = 0.0027322 k( 56) = ( 0.2500000 0.5000000 -0.0000000), wk = 0.0027322 k( 57) = ( 0.2638889 0.5000000 -0.0000000), wk = 0.0027322 k( 58) = ( 0.2777778 0.5000000 -0.0000000), wk = 0.0027322 k( 59) = ( 0.2916667 0.5000000 -0.0000000), wk = 0.0027322 k( 60) = ( 0.3055556 0.5000000 -0.0000000), wk = 0.0027322 k( 61) = ( 0.3194444 0.5000000 -0.0000000), wk = 0.0027322 k( 62) = ( 0.3333333 0.5000000 -0.0000000), wk = 0.0027322 k( 63) = ( 0.3472222 0.5000000 -0.0000000), wk = 0.0027322 k( 64) = ( 0.3611111 0.5000000 -0.0000000), wk = 0.0027322 k( 65) = ( 0.3750000 0.5000000 -0.0000000), wk = 0.0027322 k( 66) = ( 0.3888889 0.5000000 -0.0000000), wk = 0.0027322 k( 67) = ( 0.4027778 0.5000000 -0.0000000), wk = 0.0027322 k( 68) = ( 0.4166667 0.5000000 -0.0000000), wk = 0.0027322 k( 69) = ( 0.4305556 0.5000000 -0.0000000), wk = 0.0027322 k( 70) = ( 0.4444444 0.5000000 -0.0000000), wk = 0.0027322 k( 71) = ( 0.4583333 0.5000000 -0.0000000), wk = 0.0027322 k( 72) = ( 0.4722222 0.5000000 -0.0000000), wk = 0.0027322 k( 73) = ( 0.4861111 0.5000000 -0.0000000), wk = 0.0027322 k( 74) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0027322 k( 75) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0027322 k( 76) = ( 0.4901961 0.4901961 -0.0000000), wk = 0.0027322 k( 77) = ( 0.4803922 0.4803922 -0.0000000), wk = 0.0027322 k( 78) = ( 0.4705882 0.4705882 -0.0000000), wk = 0.0027322 k( 79) = ( 0.4607843 0.4607843 -0.0000000), wk = 0.0027322 k( 80) = ( 0.4509804 0.4509804 -0.0000000), wk = 0.0027322 k( 81) = ( 0.4411765 0.4411765 -0.0000000), wk = 0.0027322 k( 82) = ( 0.4313726 0.4313725 -0.0000000), wk = 0.0027322 k( 83) = ( 0.4215686 0.4215686 -0.0000000), wk = 0.0027322 k( 84) = ( 0.4117647 0.4117647 -0.0000000), wk = 0.0027322 k( 85) = ( 0.4019608 0.4019608 -0.0000000), wk = 0.0027322 k( 86) = ( 0.3921569 0.3921569 -0.0000000), wk = 0.0027322 k( 87) = ( 0.3823529 0.3823529 -0.0000000), wk = 0.0027322 k( 88) = ( 0.3725490 0.3725490 -0.0000000), wk = 0.0027322 k( 89) = ( 0.3627451 0.3627451 -0.0000000), wk = 0.0027322 k( 90) = ( 0.3529412 0.3529412 -0.0000000), wk = 0.0027322 k( 91) = ( 0.3431373 0.3431372 -0.0000000), wk = 0.0027322 k( 92) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0027322 k( 93) = ( 0.3235294 0.3235294 -0.0000000), wk = 0.0027322 k( 94) = ( 0.3137255 0.3137255 -0.0000000), wk = 0.0027322 k( 95) = ( 0.3039216 0.3039216 -0.0000000), wk = 0.0027322 k( 96) = ( 0.2941177 0.2941176 -0.0000000), wk = 0.0027322 k( 97) = ( 0.2843137 0.2843137 -0.0000000), wk = 0.0027322 k( 98) = ( 0.2745098 0.2745098 -0.0000000), wk = 0.0027322 k( 99) = ( 0.2647059 0.2647059 -0.0000000), wk = 0.0027322 k( 100) = ( 0.2549020 0.2549020 -0.0000000), wk = 0.0027322 k( 101) = ( 0.2450980 0.2450980 -0.0000000), wk = 0.0027322 k( 102) = ( 0.2352941 0.2352941 -0.0000000), wk = 0.0027322 k( 103) = ( 0.2254902 0.2254902 -0.0000000), wk = 0.0027322 k( 104) = ( 0.2156863 0.2156863 -0.0000000), wk = 0.0027322 k( 105) = ( 0.2058823 0.2058823 -0.0000000), wk = 0.0027322 k( 106) = ( 0.1960784 0.1960784 -0.0000000), wk = 0.0027322 k( 107) = ( 0.1862745 0.1862745 -0.0000000), wk = 0.0027322 k( 108) = ( 0.1764706 0.1764706 -0.0000000), wk = 0.0027322 k( 109) = ( 0.1666667 0.1666667 -0.0000000), wk = 0.0027322 k( 110) = ( 0.1568627 0.1568627 -0.0000000), wk = 0.0027322 k( 111) = ( 0.1470588 0.1470588 -0.0000000), wk = 0.0027322 k( 112) = ( 0.1372549 0.1372549 -0.0000000), wk = 0.0027322 k( 113) = ( 0.1274510 0.1274510 -0.0000000), wk = 0.0027322 k( 114) = ( 0.1176471 0.1176471 -0.0000000), wk = 0.0027322 k( 115) = ( 0.1078431 0.1078431 -0.0000000), wk = 0.0027322 k( 116) = ( 0.0980392 0.0980392 -0.0000000), wk = 0.0027322 k( 117) = ( 0.0882353 0.0882353 -0.0000000), wk = 0.0027322 k( 118) = ( 0.0784314 0.0784314 -0.0000000), wk = 0.0027322 k( 119) = ( 0.0686275 0.0686275 -0.0000000), wk = 0.0027322 k( 120) = ( 0.0588235 0.0588235 -0.0000000), wk = 0.0027322 k( 121) = ( 0.0490196 0.0490196 -0.0000000), wk = 0.0027322 k( 122) = ( 0.0392157 0.0392157 -0.0000000), wk = 0.0027322 k( 123) = ( 0.0294118 0.0294118 -0.0000000), wk = 0.0027322 k( 124) = ( 0.0196078 0.0196078 -0.0000000), wk = 0.0027322 k( 125) = ( 0.0098039 0.0098039 -0.0000000), wk = 0.0027322 k( 126) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027322 k( 127) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027322 k( 128) = ( 0.0000000 0.0000000 0.0138527), wk = 0.0027322 k( 129) = ( 0.0000000 0.0000000 0.0277054), wk = 0.0027322 k( 130) = ( 0.0000000 0.0000000 0.0415581), wk = 0.0027322 k( 131) = ( 0.0000000 0.0000000 0.0554107), wk = 0.0027322 k( 132) = ( 0.0000000 0.0000000 0.0692634), wk = 0.0027322 k( 133) = ( 0.0000000 0.0000000 0.0831161), wk = 0.0027322 k( 134) = ( 0.0000000 0.0000000 0.0969688), wk = 0.0027322 k( 135) = ( 0.0000000 0.0000000 0.1108215), wk = 0.0027322 k( 136) = ( 0.0000000 0.0000000 0.1246742), wk = 0.0027322 k( 137) = ( 0.0000000 0.0000000 0.1385269), wk = 0.0027322 k( 138) = ( 0.0000000 0.0000000 0.1523795), wk = 0.0027322 k( 139) = ( 0.0000000 0.0000000 0.1662322), wk = 0.0027322 k( 140) = ( 0.0000000 0.0000000 0.1800849), wk = 0.0027322 k( 141) = ( 0.0000000 0.0000000 0.1939376), wk = 0.0027322 k( 142) = ( 0.0000000 0.0000000 0.2077903), wk = 0.0027322 k( 143) = ( 0.0000000 0.0000000 0.2216430), wk = 0.0027322 k( 144) = ( 0.0000000 0.0000000 0.2354956), wk = 0.0027322 k( 145) = ( 0.0000000 0.0000000 0.2493483), wk = 0.0027322 k( 146) = ( 0.0000000 0.0000000 0.2632010), wk = 0.0027322 k( 147) = ( 0.0000000 0.0000000 0.2770537), wk = 0.0027322 k( 148) = ( 0.0000000 0.0000000 0.2909064), wk = 0.0027322 k( 149) = ( 0.0000000 0.0000000 0.3047591), wk = 0.0027322 k( 150) = ( 0.0000000 0.0000000 0.3186117), wk = 0.0027322 k( 151) = ( 0.0000000 0.0000000 0.3324644), wk = 0.0027322 k( 152) = ( 0.0000000 0.0000000 0.3463171), wk = 0.0027322 k( 153) = ( 0.0000000 0.0000000 0.3601698), wk = 0.0027322 k( 154) = ( 0.0000000 0.0000000 0.3740225), wk = 0.0027322 k( 155) = ( 0.0000000 0.0000000 0.3878752), wk = 0.0027322 k( 156) = ( 0.0000000 0.0000000 0.4017279), wk = 0.0027322 k( 157) = ( 0.0000000 0.0000000 0.4155805), wk = 0.0027322 k( 158) = ( 0.0000000 0.0000000 0.4294332), wk = 0.0027322 k( 159) = ( 0.0000000 0.0000000 0.4432859), wk = 0.0027322 k( 160) = ( 0.0000000 0.0000000 0.4571386), wk = 0.0027322 k( 161) = ( 0.0000000 0.0000000 0.4709913), wk = 0.0027322 k( 162) = ( 0.0000000 0.0000000 0.4848440), wk = 0.0027322 k( 163) = ( 0.0000000 0.0000000 0.4986967), wk = 0.0027322 k( 164) = ( 0.0000000 0.0000000 0.5125493), wk = 0.0027322 k( 165) = ( 0.0000000 0.0000000 0.5125493), wk = 0.0027322 k( 166) = ( 0.0000000 0.0138889 0.5125493), wk = 0.0027322 k( 167) = ( 0.0000000 0.0277778 0.5125493), wk = 0.0027322 k( 168) = ( 0.0000000 0.0416667 0.5125493), wk = 0.0027322 k( 169) = ( 0.0000000 0.0555556 0.5125493), wk = 0.0027322 k( 170) = ( 0.0000000 0.0694444 0.5125493), wk = 0.0027322 k( 171) = ( 0.0000000 0.0833333 0.5125493), wk = 0.0027322 k( 172) = ( 0.0000000 0.0972222 0.5125493), wk = 0.0027322 k( 173) = ( 0.0000000 0.1111111 0.5125493), wk = 0.0027322 k( 174) = ( 0.0000000 0.1250000 0.5125493), wk = 0.0027322 k( 175) = ( 0.0000000 0.1388889 0.5125493), wk = 0.0027322 k( 176) = ( 0.0000000 0.1527778 0.5125493), wk = 0.0027322 k( 177) = ( 0.0000000 0.1666667 0.5125493), wk = 0.0027322 k( 178) = ( 0.0000000 0.1805556 0.5125493), wk = 0.0027322 k( 179) = ( 0.0000000 0.1944444 0.5125493), wk = 0.0027322 k( 180) = ( 0.0000000 0.2083333 0.5125493), wk = 0.0027322 k( 181) = ( 0.0000000 0.2222222 0.5125493), wk = 0.0027322 k( 182) = ( 0.0000000 0.2361111 0.5125493), wk = 0.0027322 k( 183) = ( 0.0000000 0.2500000 0.5125493), wk = 0.0027322 k( 184) = ( 0.0000000 0.2638889 0.5125493), wk = 0.0027322 k( 185) = ( 0.0000000 0.2777778 0.5125493), wk = 0.0027322 k( 186) = ( 0.0000000 0.2916667 0.5125493), wk = 0.0027322 k( 187) = ( 0.0000000 0.3055556 0.5125493), wk = 0.0027322 k( 188) = ( 0.0000000 0.3194444 0.5125493), wk = 0.0027322 k( 189) = ( 0.0000000 0.3333333 0.5125493), wk = 0.0027322 k( 190) = ( 0.0000000 0.3472222 0.5125493), wk = 0.0027322 k( 191) = ( 0.0000000 0.3611111 0.5125493), wk = 0.0027322 k( 192) = ( 0.0000000 0.3750000 0.5125493), wk = 0.0027322 k( 193) = ( 0.0000000 0.3888889 0.5125493), wk = 0.0027322 k( 194) = ( 0.0000000 0.4027778 0.5125493), wk = 0.0027322 k( 195) = ( 0.0000000 0.4166667 0.5125493), wk = 0.0027322 k( 196) = ( 0.0000000 0.4305556 0.5125493), wk = 0.0027322 k( 197) = ( 0.0000000 0.4444444 0.5125493), wk = 0.0027322 k( 198) = ( 0.0000000 0.4583333 0.5125493), wk = 0.0027322 k( 199) = ( 0.0000000 0.4722222 0.5125493), wk = 0.0027322 k( 200) = ( 0.0000000 0.4861111 0.5125493), wk = 0.0027322 k( 201) = ( 0.0000000 0.5000000 0.5125493), wk = 0.0027322 k( 202) = ( 0.0000000 0.5000000 0.5125493), wk = 0.0027322 k( 203) = ( 0.0138889 0.5000000 0.5125493), wk = 0.0027322 k( 204) = ( 0.0277778 0.5000000 0.5125493), wk = 0.0027322 k( 205) = ( 0.0416667 0.5000000 0.5125493), wk = 0.0027322 k( 206) = ( 0.0555556 0.5000000 0.5125493), wk = 0.0027322 k( 207) = ( 0.0694444 0.5000000 0.5125493), wk = 0.0027322 k( 208) = ( 0.0833333 0.5000000 0.5125493), wk = 0.0027322 k( 209) = ( 0.0972222 0.5000000 0.5125493), wk = 0.0027322 k( 210) = ( 0.1111111 0.5000000 0.5125493), wk = 0.0027322 k( 211) = ( 0.1250000 0.5000000 0.5125493), wk = 0.0027322 k( 212) = ( 0.1388889 0.5000000 0.5125493), wk = 0.0027322 k( 213) = ( 0.1527778 0.5000000 0.5125493), wk = 0.0027322 k( 214) = ( 0.1666667 0.5000000 0.5125493), wk = 0.0027322 k( 215) = ( 0.1805556 0.5000000 0.5125493), wk = 0.0027322 k( 216) = ( 0.1944444 0.5000000 0.5125493), wk = 0.0027322 k( 217) = ( 0.2083333 0.5000000 0.5125493), wk = 0.0027322 k( 218) = ( 0.2222222 0.5000000 0.5125493), wk = 0.0027322 k( 219) = ( 0.2361111 0.5000000 0.5125493), wk = 0.0027322 k( 220) = ( 0.2500000 0.5000000 0.5125493), wk = 0.0027322 k( 221) = ( 0.2638889 0.5000000 0.5125493), wk = 0.0027322 k( 222) = ( 0.2777778 0.5000000 0.5125493), wk = 0.0027322 k( 223) = ( 0.2916667 0.5000000 0.5125493), wk = 0.0027322 k( 224) = ( 0.3055556 0.5000000 0.5125493), wk = 0.0027322 k( 225) = ( 0.3194444 0.5000000 0.5125493), wk = 0.0027322 k( 226) = ( 0.3333333 0.5000000 0.5125493), wk = 0.0027322 k( 227) = ( 0.3472222 0.5000000 0.5125493), wk = 0.0027322 k( 228) = ( 0.3611111 0.5000000 0.5125493), wk = 0.0027322 k( 229) = ( 0.3750000 0.5000000 0.5125493), wk = 0.0027322 k( 230) = ( 0.3888889 0.5000000 0.5125493), wk = 0.0027322 k( 231) = ( 0.4027778 0.5000000 0.5125493), wk = 0.0027322 k( 232) = ( 0.4166667 0.5000000 0.5125493), wk = 0.0027322 k( 233) = ( 0.4305556 0.5000000 0.5125493), wk = 0.0027322 k( 234) = ( 0.4444444 0.5000000 0.5125493), wk = 0.0027322 k( 235) = ( 0.4583333 0.5000000 0.5125493), wk = 0.0027322 k( 236) = ( 0.4722222 0.5000000 0.5125493), wk = 0.0027322 k( 237) = ( 0.4861111 0.5000000 0.5125493), wk = 0.0027322 k( 238) = ( 0.5000000 0.5000000 0.5125493), wk = 0.0027322 k( 239) = ( 0.5000000 0.5000000 0.5125493), wk = 0.0027322 k( 240) = ( 0.4901961 0.4901961 0.5125493), wk = 0.0027322 k( 241) = ( 0.4803922 0.4803922 0.5125493), wk = 0.0027322 k( 242) = ( 0.4705882 0.4705882 0.5125493), wk = 0.0027322 k( 243) = ( 0.4607843 0.4607843 0.5125493), wk = 0.0027322 k( 244) = ( 0.4509804 0.4509804 0.5125493), wk = 0.0027322 k( 245) = ( 0.4411765 0.4411765 0.5125493), wk = 0.0027322 k( 246) = ( 0.4313726 0.4313725 0.5125493), wk = 0.0027322 k( 247) = ( 0.4215686 0.4215686 0.5125493), wk = 0.0027322 k( 248) = ( 0.4117647 0.4117647 0.5125493), wk = 0.0027322 k( 249) = ( 0.4019608 0.4019608 0.5125493), wk = 0.0027322 k( 250) = ( 0.3921569 0.3921569 0.5125493), wk = 0.0027322 k( 251) = ( 0.3823529 0.3823529 0.5125493), wk = 0.0027322 k( 252) = ( 0.3725490 0.3725490 0.5125493), wk = 0.0027322 k( 253) = ( 0.3627451 0.3627451 0.5125493), wk = 0.0027322 k( 254) = ( 0.3529412 0.3529412 0.5125493), wk = 0.0027322 k( 255) = ( 0.3431373 0.3431372 0.5125493), wk = 0.0027322 k( 256) = ( 0.3333333 0.3333333 0.5125493), wk = 0.0027322 k( 257) = ( 0.3235294 0.3235294 0.5125493), wk = 0.0027322 k( 258) = ( 0.3137255 0.3137255 0.5125493), wk = 0.0027322 k( 259) = ( 0.3039216 0.3039216 0.5125493), wk = 0.0027322 k( 260) = ( 0.2941177 0.2941176 0.5125493), wk = 0.0027322 k( 261) = ( 0.2843137 0.2843137 0.5125493), wk = 0.0027322 k( 262) = ( 0.2745098 0.2745098 0.5125493), wk = 0.0027322 k( 263) = ( 0.2647059 0.2647059 0.5125493), wk = 0.0027322 k( 264) = ( 0.2549020 0.2549020 0.5125493), wk = 0.0027322 k( 265) = ( 0.2450980 0.2450980 0.5125493), wk = 0.0027322 k( 266) = ( 0.2352941 0.2352941 0.5125493), wk = 0.0027322 k( 267) = ( 0.2254902 0.2254902 0.5125493), wk = 0.0027322 k( 268) = ( 0.2156863 0.2156863 0.5125493), wk = 0.0027322 k( 269) = ( 0.2058823 0.2058823 0.5125493), wk = 0.0027322 k( 270) = ( 0.1960784 0.1960784 0.5125493), wk = 0.0027322 k( 271) = ( 0.1862745 0.1862745 0.5125493), wk = 0.0027322 k( 272) = ( 0.1764706 0.1764706 0.5125493), wk = 0.0027322 k( 273) = ( 0.1666667 0.1666667 0.5125493), wk = 0.0027322 k( 274) = ( 0.1568627 0.1568627 0.5125493), wk = 0.0027322 k( 275) = ( 0.1470588 0.1470588 0.5125493), wk = 0.0027322 k( 276) = ( 0.1372549 0.1372549 0.5125493), wk = 0.0027322 k( 277) = ( 0.1274510 0.1274510 0.5125493), wk = 0.0027322 k( 278) = ( 0.1176471 0.1176471 0.5125493), wk = 0.0027322 k( 279) = ( 0.1078431 0.1078431 0.5125493), wk = 0.0027322 k( 280) = ( 0.0980392 0.0980392 0.5125493), wk = 0.0027322 k( 281) = ( 0.0882353 0.0882353 0.5125493), wk = 0.0027322 k( 282) = ( 0.0784314 0.0784314 0.5125493), wk = 0.0027322 k( 283) = ( 0.0686275 0.0686275 0.5125493), wk = 0.0027322 k( 284) = ( 0.0588235 0.0588235 0.5125493), wk = 0.0027322 k( 285) = ( 0.0490196 0.0490196 0.5125493), wk = 0.0027322 k( 286) = ( 0.0392157 0.0392157 0.5125493), wk = 0.0027322 k( 287) = ( 0.0294118 0.0294118 0.5125493), wk = 0.0027322 k( 288) = ( 0.0196078 0.0196078 0.5125493), wk = 0.0027322 k( 289) = ( 0.0098039 0.0098039 0.5125493), wk = 0.0027322 k( 290) = ( 0.0000000 0.0000000 0.5125493), wk = 0.0027322 k( 291) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0027322 k( 292) = ( 0.0000000 0.5000000 0.0138527), wk = 0.0027322 k( 293) = ( 0.0000000 0.5000000 0.0277054), wk = 0.0027322 k( 294) = ( 0.0000000 0.5000000 0.0415581), wk = 0.0027322 k( 295) = ( 0.0000000 0.5000000 0.0554107), wk = 0.0027322 k( 296) = ( 0.0000000 0.5000000 0.0692634), wk = 0.0027322 k( 297) = ( 0.0000000 0.5000000 0.0831161), wk = 0.0027322 k( 298) = ( 0.0000000 0.5000000 0.0969688), wk = 0.0027322 k( 299) = ( 0.0000000 0.5000000 0.1108215), wk = 0.0027322 k( 300) = ( 0.0000000 0.5000000 0.1246742), wk = 0.0027322 k( 301) = ( 0.0000000 0.5000000 0.1385269), wk = 0.0027322 k( 302) = ( 0.0000000 0.5000000 0.1523795), wk = 0.0027322 k( 303) = ( 0.0000000 0.5000000 0.1662322), wk = 0.0027322 k( 304) = ( 0.0000000 0.5000000 0.1800849), wk = 0.0027322 k( 305) = ( 0.0000000 0.5000000 0.1939376), wk = 0.0027322 k( 306) = ( 0.0000000 0.5000000 0.2077903), wk = 0.0027322 k( 307) = ( 0.0000000 0.5000000 0.2216430), wk = 0.0027322 k( 308) = ( 0.0000000 0.5000000 0.2354956), wk = 0.0027322 k( 309) = ( 0.0000000 0.5000000 0.2493483), wk = 0.0027322 k( 310) = ( 0.0000000 0.5000000 0.2632010), wk = 0.0027322 k( 311) = ( 0.0000000 0.5000000 0.2770537), wk = 0.0027322 k( 312) = ( 0.0000000 0.5000000 0.2909064), wk = 0.0027322 k( 313) = ( 0.0000000 0.5000000 0.3047591), wk = 0.0027322 k( 314) = ( 0.0000000 0.5000000 0.3186117), wk = 0.0027322 k( 315) = ( 0.0000000 0.5000000 0.3324644), wk = 0.0027322 k( 316) = ( 0.0000000 0.5000000 0.3463171), wk = 0.0027322 k( 317) = ( 0.0000000 0.5000000 0.3601698), wk = 0.0027322 k( 318) = ( 0.0000000 0.5000000 0.3740225), wk = 0.0027322 k( 319) = ( 0.0000000 0.5000000 0.3878752), wk = 0.0027322 k( 320) = ( 0.0000000 0.5000000 0.4017279), wk = 0.0027322 k( 321) = ( 0.0000000 0.5000000 0.4155805), wk = 0.0027322 k( 322) = ( 0.0000000 0.5000000 0.4294332), wk = 0.0027322 k( 323) = ( 0.0000000 0.5000000 0.4432859), wk = 0.0027322 k( 324) = ( 0.0000000 0.5000000 0.4571386), wk = 0.0027322 k( 325) = ( 0.0000000 0.5000000 0.4709913), wk = 0.0027322 k( 326) = ( 0.0000000 0.5000000 0.4848440), wk = 0.0027322 k( 327) = ( 0.0000000 0.5000000 0.4986967), wk = 0.0027322 k( 328) = ( 0.0000000 0.5000000 0.5125493), wk = 0.0027322 k( 329) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0027322 k( 330) = ( 0.5000000 0.5000000 0.0138527), wk = 0.0027322 k( 331) = ( 0.5000000 0.5000000 0.0277054), wk = 0.0027322 k( 332) = ( 0.5000000 0.5000000 0.0415581), wk = 0.0027322 k( 333) = ( 0.5000000 0.5000000 0.0554107), wk = 0.0027322 k( 334) = ( 0.5000000 0.5000000 0.0692634), wk = 0.0027322 k( 335) = ( 0.5000000 0.5000000 0.0831161), wk = 0.0027322 k( 336) = ( 0.5000000 0.5000000 0.0969688), wk = 0.0027322 k( 337) = ( 0.5000000 0.5000000 0.1108215), wk = 0.0027322 k( 338) = ( 0.5000000 0.5000000 0.1246742), wk = 0.0027322 k( 339) = ( 0.5000000 0.5000000 0.1385269), wk = 0.0027322 k( 340) = ( 0.5000000 0.5000000 0.1523795), wk = 0.0027322 k( 341) = ( 0.5000000 0.5000000 0.1662322), wk = 0.0027322 k( 342) = ( 0.5000000 0.5000000 0.1800849), wk = 0.0027322 k( 343) = ( 0.5000000 0.5000000 0.1939376), wk = 0.0027322 k( 344) = ( 0.5000000 0.5000000 0.2077903), wk = 0.0027322 k( 345) = ( 0.5000000 0.5000000 0.2216430), wk = 0.0027322 k( 346) = ( 0.5000000 0.5000000 0.2354956), wk = 0.0027322 k( 347) = ( 0.5000000 0.5000000 0.2493483), wk = 0.0027322 k( 348) = ( 0.5000000 0.5000000 0.2632010), wk = 0.0027322 k( 349) = ( 0.5000000 0.5000000 0.2770537), wk = 0.0027322 k( 350) = ( 0.5000000 0.5000000 0.2909064), wk = 0.0027322 k( 351) = ( 0.5000000 0.5000000 0.3047591), wk = 0.0027322 k( 352) = ( 0.5000000 0.5000000 0.3186117), wk = 0.0027322 k( 353) = ( 0.5000000 0.5000000 0.3324644), wk = 0.0027322 k( 354) = ( 0.5000000 0.5000000 0.3463171), wk = 0.0027322 k( 355) = ( 0.5000000 0.5000000 0.3601698), wk = 0.0027322 k( 356) = ( 0.5000000 0.5000000 0.3740225), wk = 0.0027322 k( 357) = ( 0.5000000 0.5000000 0.3878752), wk = 0.0027322 k( 358) = ( 0.5000000 0.5000000 0.4017279), wk = 0.0027322 k( 359) = ( 0.5000000 0.5000000 0.4155805), wk = 0.0027322 k( 360) = ( 0.5000000 0.5000000 0.4294332), wk = 0.0027322 k( 361) = ( 0.5000000 0.5000000 0.4432859), wk = 0.0027322 k( 362) = ( 0.5000000 0.5000000 0.4571386), wk = 0.0027322 k( 363) = ( 0.5000000 0.5000000 0.4709913), wk = 0.0027322 k( 364) = ( 0.5000000 0.5000000 0.4848440), wk = 0.0027322 k( 365) = ( 0.5000000 0.5000000 0.4986967), wk = 0.0027322 k( 366) = ( 0.5000000 0.5000000 0.5125493), wk = 0.0027322 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027322 k( 2) = ( 0.0000000 0.0138889 -0.0000000), wk = 0.0027322 k( 3) = ( 0.0000000 0.0277778 -0.0000000), wk = 0.0027322 k( 4) = ( 0.0000000 0.0416667 -0.0000000), wk = 0.0027322 k( 5) = ( 0.0000000 0.0555556 -0.0000000), wk = 0.0027322 k( 6) = ( 0.0000000 0.0694444 -0.0000000), wk = 0.0027322 k( 7) = ( 0.0000000 0.0833333 -0.0000000), wk = 0.0027322 k( 8) = ( 0.0000000 0.0972222 0.0000000), wk = 0.0027322 k( 9) = ( 0.0000000 0.1111111 -0.0000000), wk = 0.0027322 k( 10) = ( 0.0000000 0.1250000 -0.0000000), wk = 0.0027322 k( 11) = ( 0.0000000 0.1388889 0.0000000), wk = 0.0027322 k( 12) = ( 0.0000000 0.1527778 0.0000000), wk = 0.0027322 k( 13) = ( 0.0000000 0.1666667 -0.0000000), wk = 0.0027322 k( 14) = ( 0.0000000 0.1805556 -0.0000000), wk = 0.0027322 k( 15) = ( 0.0000000 0.1944444 0.0000000), wk = 0.0027322 k( 16) = ( 0.0000000 0.2083333 0.0000000), wk = 0.0027322 k( 17) = ( 0.0000000 0.2222222 -0.0000000), wk = 0.0027322 k( 18) = ( 0.0000000 0.2361111 -0.0000000), wk = 0.0027322 k( 19) = ( 0.0000000 0.2500000 -0.0000000), wk = 0.0027322 k( 20) = ( 0.0000000 0.2638889 0.0000000), wk = 0.0027322 k( 21) = ( 0.0000000 0.2777778 0.0000000), wk = 0.0027322 k( 22) = ( 0.0000000 0.2916667 0.0000000), wk = 0.0027322 k( 23) = ( 0.0000000 0.3055556 0.0000000), wk = 0.0027322 k( 24) = ( 0.0000000 0.3194444 -0.0000000), wk = 0.0027322 k( 25) = ( 0.0000000 0.3333333 -0.0000000), wk = 0.0027322 k( 26) = ( 0.0000000 0.3472222 -0.0000000), wk = 0.0027322 k( 27) = ( 0.0000000 0.3611111 -0.0000000), wk = 0.0027322 k( 28) = ( 0.0000000 0.3750000 0.0000000), wk = 0.0027322 k( 29) = ( 0.0000000 0.3888889 -0.0000000), wk = 0.0027322 k( 30) = ( 0.0000000 0.4027778 0.0000000), wk = 0.0027322 k( 31) = ( 0.0000000 0.4166667 0.0000000), wk = 0.0027322 k( 32) = ( 0.0000000 0.4305556 -0.0000000), wk = 0.0027322 k( 33) = ( 0.0000000 0.4444444 -0.0000000), wk = 0.0027322 k( 34) = ( 0.0000000 0.4583333 -0.0000000), wk = 0.0027322 k( 35) = ( 0.0000000 0.4722222 -0.0000000), wk = 0.0027322 k( 36) = ( 0.0000000 0.4861111 0.0000000), wk = 0.0027322 k( 37) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0027322 k( 38) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0027322 k( 39) = ( 0.0138889 0.5000000 0.0000000), wk = 0.0027322 k( 40) = ( 0.0277778 0.5000000 -0.0000000), wk = 0.0027322 k( 41) = ( 0.0416667 0.5000000 -0.0000000), wk = 0.0027322 k( 42) = ( 0.0555556 0.5000000 -0.0000000), wk = 0.0027322 k( 43) = ( 0.0694444 0.5000000 -0.0000000), wk = 0.0027322 k( 44) = ( 0.0833333 0.5000000 -0.0000000), wk = 0.0027322 k( 45) = ( 0.0972222 0.5000000 0.0000000), wk = 0.0027322 k( 46) = ( 0.1111111 0.5000000 -0.0000000), wk = 0.0027322 k( 47) = ( 0.1250000 0.5000000 -0.0000000), wk = 0.0027322 k( 48) = ( 0.1388889 0.5000000 0.0000000), wk = 0.0027322 k( 49) = ( 0.1527778 0.5000000 -0.0000000), wk = 0.0027322 k( 50) = ( 0.1666667 0.5000000 0.0000000), wk = 0.0027322 k( 51) = ( 0.1805556 0.5000000 0.0000000), wk = 0.0027322 k( 52) = ( 0.1944444 0.5000000 0.0000000), wk = 0.0027322 k( 53) = ( 0.2083333 0.5000000 0.0000000), wk = 0.0027322 k( 54) = ( 0.2222222 0.5000000 -0.0000000), wk = 0.0027322 k( 55) = ( 0.2361111 0.5000000 0.0000000), wk = 0.0027322 k( 56) = ( 0.2500000 0.5000000 0.0000000), wk = 0.0027322 k( 57) = ( 0.2638889 0.5000000 -0.0000000), wk = 0.0027322 k( 58) = ( 0.2777778 0.5000000 -0.0000000), wk = 0.0027322 k( 59) = ( 0.2916667 0.5000000 -0.0000000), wk = 0.0027322 k( 60) = ( 0.3055556 0.5000000 -0.0000000), wk = 0.0027322 k( 61) = ( 0.3194444 0.5000000 -0.0000000), wk = 0.0027322 k( 62) = ( 0.3333333 0.5000000 0.0000000), wk = 0.0027322 k( 63) = ( 0.3472222 0.5000000 0.0000000), wk = 0.0027322 k( 64) = ( 0.3611111 0.5000000 0.0000000), wk = 0.0027322 k( 65) = ( 0.3750000 0.5000000 -0.0000000), wk = 0.0027322 k( 66) = ( 0.3888889 0.5000000 -0.0000000), wk = 0.0027322 k( 67) = ( 0.4027778 0.5000000 -0.0000000), wk = 0.0027322 k( 68) = ( 0.4166667 0.5000000 -0.0000000), wk = 0.0027322 k( 69) = ( 0.4305556 0.5000000 0.0000000), wk = 0.0027322 k( 70) = ( 0.4444444 0.5000000 0.0000000), wk = 0.0027322 k( 71) = ( 0.4583333 0.5000000 -0.0000000), wk = 0.0027322 k( 72) = ( 0.4722222 0.5000000 0.0000000), wk = 0.0027322 k( 73) = ( 0.4861111 0.5000000 -0.0000000), wk = 0.0027322 k( 74) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0027322 k( 75) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0027322 k( 76) = ( 0.4901961 0.4901961 -0.0000000), wk = 0.0027322 k( 77) = ( 0.4803922 0.4803922 -0.0000000), wk = 0.0027322 k( 78) = ( 0.4705882 0.4705882 0.0000000), wk = 0.0027322 k( 79) = ( 0.4607843 0.4607843 0.0000000), wk = 0.0027322 k( 80) = ( 0.4509804 0.4509804 -0.0000000), wk = 0.0027322 k( 81) = ( 0.4411765 0.4411765 -0.0000000), wk = 0.0027322 k( 82) = ( 0.4313726 0.4313726 -0.0000000), wk = 0.0027322 k( 83) = ( 0.4215686 0.4215686 -0.0000000), wk = 0.0027322 k( 84) = ( 0.4117647 0.4117647 -0.0000000), wk = 0.0027322 k( 85) = ( 0.4019608 0.4019608 0.0000000), wk = 0.0027322 k( 86) = ( 0.3921569 0.3921569 -0.0000000), wk = 0.0027322 k( 87) = ( 0.3823529 0.3823529 0.0000000), wk = 0.0027322 k( 88) = ( 0.3725490 0.3725490 -0.0000000), wk = 0.0027322 k( 89) = ( 0.3627451 0.3627451 -0.0000000), wk = 0.0027322 k( 90) = ( 0.3529412 0.3529412 -0.0000000), wk = 0.0027322 k( 91) = ( 0.3431373 0.3431373 0.0000000), wk = 0.0027322 k( 92) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0027322 k( 93) = ( 0.3235294 0.3235294 0.0000000), wk = 0.0027322 k( 94) = ( 0.3137255 0.3137255 -0.0000000), wk = 0.0027322 k( 95) = ( 0.3039216 0.3039216 -0.0000000), wk = 0.0027322 k( 96) = ( 0.2941177 0.2941177 -0.0000000), wk = 0.0027322 k( 97) = ( 0.2843137 0.2843137 -0.0000000), wk = 0.0027322 k( 98) = ( 0.2745098 0.2745098 0.0000000), wk = 0.0027322 k( 99) = ( 0.2647059 0.2647059 -0.0000000), wk = 0.0027322 k( 100) = ( 0.2549020 0.2549020 -0.0000000), wk = 0.0027322 k( 101) = ( 0.2450980 0.2450980 -0.0000000), wk = 0.0027322 k( 102) = ( 0.2352941 0.2352941 0.0000000), wk = 0.0027322 k( 103) = ( 0.2254902 0.2254902 0.0000000), wk = 0.0027322 k( 104) = ( 0.2156863 0.2156863 -0.0000000), wk = 0.0027322 k( 105) = ( 0.2058823 0.2058823 -0.0000000), wk = 0.0027322 k( 106) = ( 0.1960784 0.1960784 -0.0000000), wk = 0.0027322 k( 107) = ( 0.1862745 0.1862745 -0.0000000), wk = 0.0027322 k( 108) = ( 0.1764706 0.1764706 -0.0000000), wk = 0.0027322 k( 109) = ( 0.1666667 0.1666667 -0.0000000), wk = 0.0027322 k( 110) = ( 0.1568627 0.1568627 0.0000000), wk = 0.0027322 k( 111) = ( 0.1470588 0.1470588 -0.0000000), wk = 0.0027322 k( 112) = ( 0.1372549 0.1372549 0.0000000), wk = 0.0027322 k( 113) = ( 0.1274510 0.1274510 -0.0000000), wk = 0.0027322 k( 114) = ( 0.1176471 0.1176471 0.0000000), wk = 0.0027322 k( 115) = ( 0.1078431 0.1078431 -0.0000000), wk = 0.0027322 k( 116) = ( 0.0980392 0.0980392 -0.0000000), wk = 0.0027322 k( 117) = ( 0.0882353 0.0882353 -0.0000000), wk = 0.0027322 k( 118) = ( 0.0784314 0.0784314 -0.0000000), wk = 0.0027322 k( 119) = ( 0.0686275 0.0686275 0.0000000), wk = 0.0027322 k( 120) = ( 0.0588235 0.0588235 0.0000000), wk = 0.0027322 k( 121) = ( 0.0490196 0.0490196 -0.0000000), wk = 0.0027322 k( 122) = ( 0.0392157 0.0392157 0.0000000), wk = 0.0027322 k( 123) = ( 0.0294118 0.0294118 -0.0000000), wk = 0.0027322 k( 124) = ( 0.0196078 0.0196078 -0.0000000), wk = 0.0027322 k( 125) = ( 0.0098039 0.0098039 -0.0000000), wk = 0.0027322 k( 126) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027322 k( 127) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027322 k( 128) = ( 0.0000000 0.0000000 0.0135135), wk = 0.0027322 k( 129) = ( 0.0000000 0.0000000 0.0270270), wk = 0.0027322 k( 130) = ( 0.0000000 0.0000000 0.0405405), wk = 0.0027322 k( 131) = ( 0.0000000 0.0000000 0.0540540), wk = 0.0027322 k( 132) = ( 0.0000000 0.0000000 0.0675676), wk = 0.0027322 k( 133) = ( 0.0000000 0.0000000 0.0810811), wk = 0.0027322 k( 134) = ( 0.0000000 0.0000000 0.0945946), wk = 0.0027322 k( 135) = ( 0.0000000 0.0000000 0.1081081), wk = 0.0027322 k( 136) = ( 0.0000000 0.0000000 0.1216216), wk = 0.0027322 k( 137) = ( 0.0000000 0.0000000 0.1351351), wk = 0.0027322 k( 138) = ( 0.0000000 0.0000000 0.1486486), wk = 0.0027322 k( 139) = ( 0.0000000 0.0000000 0.1621622), wk = 0.0027322 k( 140) = ( 0.0000000 0.0000000 0.1756757), wk = 0.0027322 k( 141) = ( 0.0000000 0.0000000 0.1891892), wk = 0.0027322 k( 142) = ( 0.0000000 0.0000000 0.2027027), wk = 0.0027322 k( 143) = ( 0.0000000 0.0000000 0.2162162), wk = 0.0027322 k( 144) = ( 0.0000000 0.0000000 0.2297297), wk = 0.0027322 k( 145) = ( 0.0000000 0.0000000 0.2432432), wk = 0.0027322 k( 146) = ( 0.0000000 0.0000000 0.2567568), wk = 0.0027322 k( 147) = ( 0.0000000 0.0000000 0.2702703), wk = 0.0027322 k( 148) = ( 0.0000000 0.0000000 0.2837838), wk = 0.0027322 k( 149) = ( 0.0000000 0.0000000 0.2972973), wk = 0.0027322 k( 150) = ( 0.0000000 0.0000000 0.3108108), wk = 0.0027322 k( 151) = ( 0.0000000 0.0000000 0.3243243), wk = 0.0027322 k( 152) = ( 0.0000000 0.0000000 0.3378378), wk = 0.0027322 k( 153) = ( 0.0000000 0.0000000 0.3513514), wk = 0.0027322 k( 154) = ( 0.0000000 0.0000000 0.3648649), wk = 0.0027322 k( 155) = ( 0.0000000 0.0000000 0.3783784), wk = 0.0027322 k( 156) = ( 0.0000000 0.0000000 0.3918919), wk = 0.0027322 k( 157) = ( 0.0000000 0.0000000 0.4054054), wk = 0.0027322 k( 158) = ( 0.0000000 0.0000000 0.4189189), wk = 0.0027322 k( 159) = ( 0.0000000 0.0000000 0.4324324), wk = 0.0027322 k( 160) = ( 0.0000000 0.0000000 0.4459459), wk = 0.0027322 k( 161) = ( 0.0000000 0.0000000 0.4594595), wk = 0.0027322 k( 162) = ( 0.0000000 0.0000000 0.4729730), wk = 0.0027322 k( 163) = ( 0.0000000 0.0000000 0.4864865), wk = 0.0027322 k( 164) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0027322 k( 165) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0027322 k( 166) = ( 0.0000000 0.0138889 0.5000000), wk = 0.0027322 k( 167) = ( 0.0000000 0.0277778 0.5000000), wk = 0.0027322 k( 168) = ( 0.0000000 0.0416667 0.5000000), wk = 0.0027322 k( 169) = ( 0.0000000 0.0555556 0.5000000), wk = 0.0027322 k( 170) = ( 0.0000000 0.0694444 0.5000000), wk = 0.0027322 k( 171) = ( 0.0000000 0.0833333 0.5000000), wk = 0.0027322 k( 172) = ( 0.0000000 0.0972222 0.5000000), wk = 0.0027322 k( 173) = ( 0.0000000 0.1111111 0.5000000), wk = 0.0027322 k( 174) = ( 0.0000000 0.1250000 0.5000000), wk = 0.0027322 k( 175) = ( 0.0000000 0.1388889 0.5000000), wk = 0.0027322 k( 176) = ( 0.0000000 0.1527778 0.5000000), wk = 0.0027322 k( 177) = ( 0.0000000 0.1666667 0.5000000), wk = 0.0027322 k( 178) = ( 0.0000000 0.1805556 0.5000000), wk = 0.0027322 k( 179) = ( 0.0000000 0.1944444 0.5000000), wk = 0.0027322 k( 180) = ( 0.0000000 0.2083333 0.5000000), wk = 0.0027322 k( 181) = ( 0.0000000 0.2222222 0.5000000), wk = 0.0027322 k( 182) = ( 0.0000000 0.2361111 0.5000000), wk = 0.0027322 k( 183) = ( 0.0000000 0.2500000 0.5000000), wk = 0.0027322 k( 184) = ( 0.0000000 0.2638889 0.5000000), wk = 0.0027322 k( 185) = ( 0.0000000 0.2777778 0.5000000), wk = 0.0027322 k( 186) = ( 0.0000000 0.2916667 0.5000000), wk = 0.0027322 k( 187) = ( 0.0000000 0.3055556 0.5000000), wk = 0.0027322 k( 188) = ( 0.0000000 0.3194444 0.5000000), wk = 0.0027322 k( 189) = ( 0.0000000 0.3333333 0.5000000), wk = 0.0027322 k( 190) = ( 0.0000000 0.3472222 0.5000000), wk = 0.0027322 k( 191) = ( 0.0000000 0.3611111 0.5000000), wk = 0.0027322 k( 192) = ( 0.0000000 0.3750000 0.5000000), wk = 0.0027322 k( 193) = ( 0.0000000 0.3888889 0.5000000), wk = 0.0027322 k( 194) = ( 0.0000000 0.4027778 0.5000000), wk = 0.0027322 k( 195) = ( 0.0000000 0.4166667 0.5000000), wk = 0.0027322 k( 196) = ( 0.0000000 0.4305556 0.5000000), wk = 0.0027322 k( 197) = ( 0.0000000 0.4444444 0.5000000), wk = 0.0027322 k( 198) = ( 0.0000000 0.4583333 0.5000000), wk = 0.0027322 k( 199) = ( 0.0000000 0.4722222 0.5000000), wk = 0.0027322 k( 200) = ( 0.0000000 0.4861111 0.5000000), wk = 0.0027322 k( 201) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0027322 k( 202) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0027322 k( 203) = ( 0.0138889 0.5000000 0.5000000), wk = 0.0027322 k( 204) = ( 0.0277778 0.5000000 0.5000000), wk = 0.0027322 k( 205) = ( 0.0416667 0.5000000 0.5000000), wk = 0.0027322 k( 206) = ( 0.0555556 0.5000000 0.5000000), wk = 0.0027322 k( 207) = ( 0.0694444 0.5000000 0.5000000), wk = 0.0027322 k( 208) = ( 0.0833333 0.5000000 0.5000000), wk = 0.0027322 k( 209) = ( 0.0972222 0.5000000 0.5000000), wk = 0.0027322 k( 210) = ( 0.1111111 0.5000000 0.5000000), wk = 0.0027322 k( 211) = ( 0.1250000 0.5000000 0.5000000), wk = 0.0027322 k( 212) = ( 0.1388889 0.5000000 0.5000000), wk = 0.0027322 k( 213) = ( 0.1527778 0.5000000 0.5000000), wk = 0.0027322 k( 214) = ( 0.1666667 0.5000000 0.5000000), wk = 0.0027322 k( 215) = ( 0.1805556 0.5000000 0.5000000), wk = 0.0027322 k( 216) = ( 0.1944444 0.5000000 0.5000000), wk = 0.0027322 k( 217) = ( 0.2083333 0.5000000 0.5000000), wk = 0.0027322 k( 218) = ( 0.2222222 0.5000000 0.5000000), wk = 0.0027322 k( 219) = ( 0.2361111 0.5000000 0.5000000), wk = 0.0027322 k( 220) = ( 0.2500000 0.5000000 0.5000000), wk = 0.0027322 k( 221) = ( 0.2638889 0.5000000 0.5000000), wk = 0.0027322 k( 222) = ( 0.2777778 0.5000000 0.5000000), wk = 0.0027322 k( 223) = ( 0.2916667 0.5000000 0.5000000), wk = 0.0027322 k( 224) = ( 0.3055556 0.5000000 0.5000000), wk = 0.0027322 k( 225) = ( 0.3194444 0.5000000 0.5000000), wk = 0.0027322 k( 226) = ( 0.3333333 0.5000000 0.5000000), wk = 0.0027322 k( 227) = ( 0.3472222 0.5000000 0.5000000), wk = 0.0027322 k( 228) = ( 0.3611111 0.5000000 0.5000000), wk = 0.0027322 k( 229) = ( 0.3750000 0.5000000 0.5000000), wk = 0.0027322 k( 230) = ( 0.3888889 0.5000000 0.5000000), wk = 0.0027322 k( 231) = ( 0.4027778 0.5000000 0.5000000), wk = 0.0027322 k( 232) = ( 0.4166667 0.5000000 0.5000000), wk = 0.0027322 k( 233) = ( 0.4305556 0.5000000 0.5000000), wk = 0.0027322 k( 234) = ( 0.4444444 0.5000000 0.5000000), wk = 0.0027322 k( 235) = ( 0.4583333 0.5000000 0.5000000), wk = 0.0027322 k( 236) = ( 0.4722222 0.5000000 0.5000000), wk = 0.0027322 k( 237) = ( 0.4861111 0.5000000 0.5000000), wk = 0.0027322 k( 238) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0027322 k( 239) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0027322 k( 240) = ( 0.4901961 0.4901961 0.5000000), wk = 0.0027322 k( 241) = ( 0.4803922 0.4803922 0.5000000), wk = 0.0027322 k( 242) = ( 0.4705882 0.4705882 0.5000000), wk = 0.0027322 k( 243) = ( 0.4607843 0.4607843 0.5000000), wk = 0.0027322 k( 244) = ( 0.4509804 0.4509804 0.5000000), wk = 0.0027322 k( 245) = ( 0.4411765 0.4411765 0.5000000), wk = 0.0027322 k( 246) = ( 0.4313726 0.4313726 0.5000000), wk = 0.0027322 k( 247) = ( 0.4215686 0.4215686 0.5000000), wk = 0.0027322 k( 248) = ( 0.4117647 0.4117647 0.5000000), wk = 0.0027322 k( 249) = ( 0.4019608 0.4019608 0.5000000), wk = 0.0027322 k( 250) = ( 0.3921569 0.3921569 0.5000000), wk = 0.0027322 k( 251) = ( 0.3823529 0.3823529 0.5000000), wk = 0.0027322 k( 252) = ( 0.3725490 0.3725490 0.5000000), wk = 0.0027322 k( 253) = ( 0.3627451 0.3627451 0.5000000), wk = 0.0027322 k( 254) = ( 0.3529412 0.3529412 0.5000000), wk = 0.0027322 k( 255) = ( 0.3431373 0.3431373 0.5000000), wk = 0.0027322 k( 256) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0027322 k( 257) = ( 0.3235294 0.3235294 0.5000000), wk = 0.0027322 k( 258) = ( 0.3137255 0.3137255 0.5000000), wk = 0.0027322 k( 259) = ( 0.3039216 0.3039216 0.5000000), wk = 0.0027322 k( 260) = ( 0.2941177 0.2941177 0.5000000), wk = 0.0027322 k( 261) = ( 0.2843137 0.2843137 0.5000000), wk = 0.0027322 k( 262) = ( 0.2745098 0.2745098 0.5000000), wk = 0.0027322 k( 263) = ( 0.2647059 0.2647059 0.5000000), wk = 0.0027322 k( 264) = ( 0.2549020 0.2549020 0.5000000), wk = 0.0027322 k( 265) = ( 0.2450980 0.2450980 0.5000000), wk = 0.0027322 k( 266) = ( 0.2352941 0.2352941 0.5000000), wk = 0.0027322 k( 267) = ( 0.2254902 0.2254902 0.5000000), wk = 0.0027322 k( 268) = ( 0.2156863 0.2156863 0.5000000), wk = 0.0027322 k( 269) = ( 0.2058823 0.2058823 0.5000000), wk = 0.0027322 k( 270) = ( 0.1960784 0.1960784 0.5000000), wk = 0.0027322 k( 271) = ( 0.1862745 0.1862745 0.5000000), wk = 0.0027322 k( 272) = ( 0.1764706 0.1764706 0.5000000), wk = 0.0027322 k( 273) = ( 0.1666667 0.1666667 0.5000000), wk = 0.0027322 k( 274) = ( 0.1568627 0.1568627 0.5000000), wk = 0.0027322 k( 275) = ( 0.1470588 0.1470588 0.5000000), wk = 0.0027322 k( 276) = ( 0.1372549 0.1372549 0.5000000), wk = 0.0027322 k( 277) = ( 0.1274510 0.1274510 0.5000000), wk = 0.0027322 k( 278) = ( 0.1176471 0.1176471 0.5000000), wk = 0.0027322 k( 279) = ( 0.1078431 0.1078431 0.5000000), wk = 0.0027322 k( 280) = ( 0.0980392 0.0980392 0.5000000), wk = 0.0027322 k( 281) = ( 0.0882353 0.0882353 0.5000000), wk = 0.0027322 k( 282) = ( 0.0784314 0.0784314 0.5000000), wk = 0.0027322 k( 283) = ( 0.0686275 0.0686275 0.5000000), wk = 0.0027322 k( 284) = ( 0.0588235 0.0588235 0.5000000), wk = 0.0027322 k( 285) = ( 0.0490196 0.0490196 0.5000000), wk = 0.0027322 k( 286) = ( 0.0392157 0.0392157 0.5000000), wk = 0.0027322 k( 287) = ( 0.0294118 0.0294118 0.5000000), wk = 0.0027322 k( 288) = ( 0.0196078 0.0196078 0.5000000), wk = 0.0027322 k( 289) = ( 0.0098039 0.0098039 0.5000000), wk = 0.0027322 k( 290) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0027322 k( 291) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0027322 k( 292) = ( 0.0000000 0.5000000 0.0135135), wk = 0.0027322 k( 293) = ( 0.0000000 0.5000000 0.0270270), wk = 0.0027322 k( 294) = ( 0.0000000 0.5000000 0.0405405), wk = 0.0027322 k( 295) = ( 0.0000000 0.5000000 0.0540540), wk = 0.0027322 k( 296) = ( 0.0000000 0.5000000 0.0675676), wk = 0.0027322 k( 297) = ( 0.0000000 0.5000000 0.0810811), wk = 0.0027322 k( 298) = ( 0.0000000 0.5000000 0.0945946), wk = 0.0027322 k( 299) = ( 0.0000000 0.5000000 0.1081081), wk = 0.0027322 k( 300) = ( 0.0000000 0.5000000 0.1216216), wk = 0.0027322 k( 301) = ( 0.0000000 0.5000000 0.1351351), wk = 0.0027322 k( 302) = ( 0.0000000 0.5000000 0.1486486), wk = 0.0027322 k( 303) = ( 0.0000000 0.5000000 0.1621622), wk = 0.0027322 k( 304) = ( 0.0000000 0.5000000 0.1756757), wk = 0.0027322 k( 305) = ( 0.0000000 0.5000000 0.1891892), wk = 0.0027322 k( 306) = ( 0.0000000 0.5000000 0.2027027), wk = 0.0027322 k( 307) = ( 0.0000000 0.5000000 0.2162162), wk = 0.0027322 k( 308) = ( 0.0000000 0.5000000 0.2297297), wk = 0.0027322 k( 309) = ( 0.0000000 0.5000000 0.2432432), wk = 0.0027322 k( 310) = ( 0.0000000 0.5000000 0.2567568), wk = 0.0027322 k( 311) = ( 0.0000000 0.5000000 0.2702703), wk = 0.0027322 k( 312) = ( 0.0000000 0.5000000 0.2837838), wk = 0.0027322 k( 313) = ( 0.0000000 0.5000000 0.2972973), wk = 0.0027322 k( 314) = ( 0.0000000 0.5000000 0.3108108), wk = 0.0027322 k( 315) = ( 0.0000000 0.5000000 0.3243243), wk = 0.0027322 k( 316) = ( 0.0000000 0.5000000 0.3378378), wk = 0.0027322 k( 317) = ( 0.0000000 0.5000000 0.3513514), wk = 0.0027322 k( 318) = ( 0.0000000 0.5000000 0.3648649), wk = 0.0027322 k( 319) = ( 0.0000000 0.5000000 0.3783784), wk = 0.0027322 k( 320) = ( 0.0000000 0.5000000 0.3918919), wk = 0.0027322 k( 321) = ( 0.0000000 0.5000000 0.4054054), wk = 0.0027322 k( 322) = ( 0.0000000 0.5000000 0.4189189), wk = 0.0027322 k( 323) = ( 0.0000000 0.5000000 0.4324324), wk = 0.0027322 k( 324) = ( 0.0000000 0.5000000 0.4459459), wk = 0.0027322 k( 325) = ( 0.0000000 0.5000000 0.4594595), wk = 0.0027322 k( 326) = ( 0.0000000 0.5000000 0.4729730), wk = 0.0027322 k( 327) = ( 0.0000000 0.5000000 0.4864865), wk = 0.0027322 k( 328) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0027322 k( 329) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0027322 k( 330) = ( 0.5000000 0.5000000 0.0135135), wk = 0.0027322 k( 331) = ( 0.5000000 0.5000000 0.0270270), wk = 0.0027322 k( 332) = ( 0.5000000 0.5000000 0.0405405), wk = 0.0027322 k( 333) = ( 0.5000000 0.5000000 0.0540540), wk = 0.0027322 k( 334) = ( 0.5000000 0.5000000 0.0675676), wk = 0.0027322 k( 335) = ( 0.5000000 0.5000000 0.0810811), wk = 0.0027322 k( 336) = ( 0.5000000 0.5000000 0.0945946), wk = 0.0027322 k( 337) = ( 0.5000000 0.5000000 0.1081081), wk = 0.0027322 k( 338) = ( 0.5000000 0.5000000 0.1216216), wk = 0.0027322 k( 339) = ( 0.5000000 0.5000000 0.1351351), wk = 0.0027322 k( 340) = ( 0.5000000 0.5000000 0.1486486), wk = 0.0027322 k( 341) = ( 0.5000000 0.5000000 0.1621622), wk = 0.0027322 k( 342) = ( 0.5000000 0.5000000 0.1756757), wk = 0.0027322 k( 343) = ( 0.5000000 0.5000000 0.1891892), wk = 0.0027322 k( 344) = ( 0.5000000 0.5000000 0.2027027), wk = 0.0027322 k( 345) = ( 0.5000000 0.5000000 0.2162162), wk = 0.0027322 k( 346) = ( 0.5000000 0.5000000 0.2297297), wk = 0.0027322 k( 347) = ( 0.5000000 0.5000000 0.2432432), wk = 0.0027322 k( 348) = ( 0.5000000 0.5000000 0.2567568), wk = 0.0027322 k( 349) = ( 0.5000000 0.5000000 0.2702703), wk = 0.0027322 k( 350) = ( 0.5000000 0.5000000 0.2837838), wk = 0.0027322 k( 351) = ( 0.5000000 0.5000000 0.2972973), wk = 0.0027322 k( 352) = ( 0.5000000 0.5000000 0.3108108), wk = 0.0027322 k( 353) = ( 0.5000000 0.5000000 0.3243243), wk = 0.0027322 k( 354) = ( 0.5000000 0.5000000 0.3378378), wk = 0.0027322 k( 355) = ( 0.5000000 0.5000000 0.3513514), wk = 0.0027322 k( 356) = ( 0.5000000 0.5000000 0.3648649), wk = 0.0027322 k( 357) = ( 0.5000000 0.5000000 0.3783784), wk = 0.0027322 k( 358) = ( 0.5000000 0.5000000 0.3918919), wk = 0.0027322 k( 359) = ( 0.5000000 0.5000000 0.4054054), wk = 0.0027322 k( 360) = ( 0.5000000 0.5000000 0.4189189), wk = 0.0027322 k( 361) = ( 0.5000000 0.5000000 0.4324324), wk = 0.0027322 k( 362) = ( 0.5000000 0.5000000 0.4459459), wk = 0.0027322 k( 363) = ( 0.5000000 0.5000000 0.4594595), wk = 0.0027322 k( 364) = ( 0.5000000 0.5000000 0.4729730), wk = 0.0027322 k( 365) = ( 0.5000000 0.5000000 0.4864865), wk = 0.0027322 k( 366) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0027322 Dense grid: 154617 G-vectors FFT dimensions: ( 72, 72, 72) Smooth grid: 27049 G-vectors FFT dimensions: ( 40, 40, 40) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.14 Mb ( 194, 48) NL pseudopotentials 0.17 Mb ( 97, 118) Each V/rho on FFT grid 0.16 Mb ( 10368) Each G-vector array 0.03 Mb ( 4296) G-vector shells 0.01 Mb ( 1850) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.57 Mb ( 194, 192) Each subspace H/S matrix 0.04 Mb ( 48, 48) Each matrix 0.17 Mb ( 118, 2, 48) The potential is recalculated from file : ./ZrCd3.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 2.0 secs Computing kpt #: 2 total cpu time spent up to now is 2.4 secs Computing kpt #: 3 total cpu time spent up to now is 2.8 secs Computing kpt #: 4 total cpu time spent up to now is 3.2 secs Computing kpt #: 5 total cpu time spent up to now is 3.6 secs Computing kpt #: 6 total cpu time spent up to now is 3.9 secs Computing kpt #: 7 total cpu time spent up to now is 4.3 secs Computing kpt #: 8 total cpu time spent up to now is 4.7 secs Computing kpt #: 9 total cpu time spent up to now is 5.1 secs Computing kpt #: 10 total cpu time spent up to now is 5.5 secs Computing kpt #: 11 total cpu time spent up to now is 5.9 secs Computing kpt #: 12 total cpu time spent up to now is 6.3 secs Computing kpt #: 13 total cpu time spent up to now is 6.7 secs Computing kpt #: 14 total cpu time spent up to now is 7.1 secs Computing kpt #: 15 total cpu time spent up to now is 7.5 secs Computing kpt #: 16 total cpu time spent up to now is 7.9 secs Computing kpt #: 17 total cpu time spent up to now is 8.4 secs Computing kpt #: 18 total cpu time spent up to now is 8.8 secs Computing kpt #: 19 total cpu time spent up to now is 9.2 secs Computing kpt #: 20 total cpu time spent up to now is 9.7 secs Computing kpt #: 21 total cpu time spent up to now is 10.2 secs Computing kpt #: 22 total cpu time spent up to now is 10.7 secs Computing kpt #: 23 total cpu time spent up to now is 11.3 secs Computing kpt #: 24 total cpu time spent up to now is 12.0 secs Computing kpt #: 25 total cpu time spent up to now is 12.6 secs Computing kpt #: 26 total cpu time spent up to now is 13.2 secs Computing kpt #: 27 total cpu time spent up to now is 13.7 secs Computing kpt #: 28 total cpu time spent up to now is 14.2 secs Computing kpt #: 29 total cpu time spent up to now is 14.7 secs Computing kpt #: 30 total cpu time spent up to now is 15.2 secs Computing kpt #: 31 total cpu time spent up to now is 15.8 secs Computing kpt #: 32 total cpu time spent up to now is 16.4 secs Computing kpt #: 33 total cpu time spent up to now is 16.9 secs Computing kpt #: 34 total cpu time spent up to now is 17.5 secs Computing kpt #: 35 total cpu time spent up to now is 18.1 secs Computing kpt #: 36 total cpu time spent up to now is 18.7 secs Computing kpt #: 37 total cpu time spent up to now is 19.3 secs Computing kpt #: 38 total cpu time spent up to now is 19.8 secs Computing kpt #: 39 total cpu time spent up to now is 20.4 secs Computing kpt #: 40 total cpu time spent up to now is 20.9 secs Computing kpt #: 41 total cpu time spent up to now is 21.4 secs Computing kpt #: 42 total cpu time spent up to now is 21.9 secs Computing kpt #: 43 total cpu time spent up to now is 22.4 secs Computing kpt #: 44 total cpu time spent up to now is 22.9 secs Computing kpt #: 45 total cpu time spent up to now is 23.3 secs Computing kpt #: 46 total cpu time spent up to now is 23.8 secs Computing kpt #: 47 total cpu time spent up to now is 24.2 secs Computing kpt #: 48 total cpu time spent up to now is 24.6 secs Computing kpt #: 49 total cpu time spent up to now is 25.0 secs Computing kpt #: 50 total cpu time spent up to now is 25.5 secs Computing kpt #: 51 total cpu time spent up to now is 26.0 secs Computing kpt #: 52 total cpu time spent up to now is 26.4 secs Computing kpt #: 53 total cpu time spent up to now is 26.9 secs Computing kpt #: 54 total cpu time spent up to now is 27.3 secs Computing kpt #: 55 total cpu time spent up to now is 27.8 secs Computing kpt #: 56 total cpu time spent up to now is 28.2 secs Computing kpt #: 57 total cpu time spent up to now is 28.7 secs Computing kpt #: 58 total cpu time spent up to now is 29.1 secs Computing kpt #: 59 total cpu time spent up to now is 29.5 secs Computing kpt #: 60 total cpu time spent up to now is 29.9 secs Computing kpt #: 61 total cpu time spent up to now is 30.3 secs Computing kpt #: 62 total cpu time spent up to now is 30.7 secs Computing kpt #: 63 total cpu time spent up to now is 31.1 secs Computing kpt #: 64 total cpu time spent up to now is 31.5 secs Computing kpt #: 65 total cpu time spent up to now is 31.9 secs Computing kpt #: 66 total cpu time spent up to now is 32.3 secs Computing kpt #: 67 total cpu time spent up to now is 32.6 secs Computing kpt #: 68 total cpu time spent up to now is 33.0 secs Computing kpt #: 69 total cpu time spent up to now is 33.4 secs Computing kpt #: 70 total cpu time spent up to now is 33.8 secs Computing kpt #: 71 total cpu time spent up to now is 34.2 secs Computing kpt #: 72 total cpu time spent up to now is 34.6 secs Computing kpt #: 73 total cpu time spent up to now is 35.0 secs Computing kpt #: 74 total cpu time spent up to now is 35.4 secs Computing kpt #: 75 total cpu time spent up to now is 35.7 secs Computing kpt #: 76 total cpu time spent up to now is 36.1 secs Computing kpt #: 77 total cpu time spent up to now is 36.5 secs Computing kpt #: 78 total cpu time spent up to now is 36.9 secs Computing kpt #: 79 total cpu time spent up to now is 37.3 secs Computing kpt #: 80 total cpu time spent up to now is 37.7 secs Computing kpt #: 81 total cpu time spent up to now is 38.1 secs Computing kpt #: 82 total cpu time spent up to now is 38.5 secs Computing kpt #: 83 total cpu time spent up to now is 38.8 secs Computing kpt #: 84 total cpu time spent up to now is 39.2 secs Computing kpt #: 85 total cpu time spent up to now is 39.7 secs Computing kpt #: 86 total cpu time spent up to now is 40.1 secs Computing kpt #: 87 total cpu time spent up to now is 40.6 secs Computing kpt #: 88 total cpu time spent up to now is 41.1 secs Computing kpt #: 89 total cpu time spent up to now is 41.5 secs Computing kpt #: 90 total cpu time spent up to now is 41.9 secs Computing kpt #: 91 total cpu time spent up to now is 42.3 secs Computing kpt #: 92 total cpu time spent up to now is 42.8 secs Computing kpt #: 93 total cpu time spent up to now is 43.2 secs Computing kpt #: 94 total cpu time spent up to now is 43.7 secs Computing kpt #: 95 total cpu time spent up to now is 44.1 secs Computing kpt #: 96 total cpu time spent up to now is 44.6 secs Computing kpt #: 97 total cpu time spent up to now is 45.0 secs Computing kpt #: 98 total cpu time spent up to now is 45.6 secs Computing kpt #: 99 total cpu time spent up to now is 46.2 secs Computing kpt #: 100 total cpu time spent up to now is 46.7 secs Computing kpt #: 101 total cpu time spent up to now is 47.5 secs Computing kpt #: 102 total cpu time spent up to now is 48.2 secs Computing kpt #: 103 total cpu time spent up to now is 48.7 secs Computing kpt #: 104 total cpu time spent up to now is 49.2 secs Computing kpt #: 105 total cpu time spent up to now is 49.6 secs Computing kpt #: 106 total cpu time spent up to now is 50.1 secs Computing kpt #: 107 total cpu time spent up to now is 50.5 secs Computing kpt #: 108 total cpu time spent up to now is 50.9 secs Computing kpt #: 109 total cpu time spent up to now is 51.3 secs Computing kpt #: 110 total cpu time spent up to now is 51.7 secs Computing kpt #: 111 total cpu time spent up to now is 52.1 secs Computing kpt #: 112 total cpu time spent up to now is 52.5 secs Computing kpt #: 113 total cpu time spent up to now is 52.9 secs Computing kpt #: 114 total cpu time spent up to now is 53.4 secs Computing kpt #: 115 total cpu time spent up to now is 53.8 secs Computing kpt #: 116 total cpu time spent up to now is 54.2 secs Computing kpt #: 117 total cpu time spent up to now is 54.6 secs Computing kpt #: 118 total cpu time spent up to now is 55.0 secs Computing kpt #: 119 total cpu time spent up to now is 55.4 secs Computing kpt #: 120 total cpu time spent up to now is 55.7 secs Computing kpt #: 121 total cpu time spent up to now is 56.1 secs Computing kpt #: 122 total cpu time spent up to now is 56.5 secs Computing kpt #: 123 total cpu time spent up to now is 56.9 secs Computing kpt #: 124 total cpu time spent up to now is 57.3 secs Computing kpt #: 125 total cpu time spent up to now is 57.7 secs Computing kpt #: 126 total cpu time spent up to now is 58.1 secs Computing kpt #: 127 total cpu time spent up to now is 58.5 secs Computing kpt #: 128 total cpu time spent up to now is 58.8 secs Computing kpt #: 129 total cpu time spent up to now is 59.2 secs Computing kpt #: 130 total cpu time spent up to now is 59.6 secs Computing kpt #: 131 total cpu time spent up to now is 60.0 secs Computing kpt #: 132 total cpu time spent up to now is 60.4 secs Computing kpt #: 133 total cpu time spent up to now is 60.8 secs Computing kpt #: 134 total cpu time spent up to now is 61.2 secs Computing kpt #: 135 total cpu time spent up to now is 61.6 secs Computing kpt #: 136 total cpu time spent up to now is 62.0 secs Computing kpt #: 137 total cpu time spent up to now is 62.4 secs Computing kpt #: 138 total cpu time spent up to now is 62.8 secs Computing kpt #: 139 total cpu time spent up to now is 63.2 secs Computing kpt #: 140 total cpu time spent up to now is 63.6 secs Computing kpt #: 141 total cpu time spent up to now is 64.0 secs Computing kpt #: 142 total cpu time spent up to now is 64.4 secs Computing kpt #: 143 total cpu time spent up to now is 64.8 secs Computing kpt #: 144 total cpu time spent up to now is 65.2 secs Computing kpt #: 145 total cpu time spent up to now is 65.7 secs Computing kpt #: 146 total cpu time spent up to now is 66.1 secs Computing kpt #: 147 total cpu time spent up to now is 66.6 secs Computing kpt #: 148 total cpu time spent up to now is 67.1 secs Computing kpt #: 149 total cpu time spent up to now is 67.6 secs Computing kpt #: 150 total cpu time spent up to now is 68.2 secs Computing kpt #: 151 total cpu time spent up to now is 68.9 secs Computing kpt #: 152 total cpu time spent up to now is 69.4 secs Computing kpt #: 153 total cpu time spent up to now is 69.9 secs Computing kpt #: 154 total cpu time spent up to now is 70.5 secs Computing kpt #: 155 total cpu time spent up to now is 71.1 secs Computing kpt #: 156 total cpu time spent up to now is 71.6 secs Computing kpt #: 157 total cpu time spent up to now is 72.2 secs Computing kpt #: 158 total cpu time spent up to now is 72.7 secs Computing kpt #: 159 total cpu time spent up to now is 73.4 secs Computing kpt #: 160 total cpu time spent up to now is 74.0 secs Computing kpt #: 161 total cpu time spent up to now is 74.5 secs Computing kpt #: 162 total cpu time spent up to now is 75.1 secs Computing kpt #: 163 total cpu time spent up to now is 75.7 secs Computing kpt #: 164 total cpu time spent up to now is 76.2 secs Computing kpt #: 165 total cpu time spent up to now is 76.7 secs Computing kpt #: 166 total cpu time spent up to now is 77.3 secs Computing kpt #: 167 total cpu time spent up to now is 77.9 secs Computing kpt #: 168 total cpu time spent up to now is 78.4 secs Computing kpt #: 169 total cpu time spent up to now is 79.0 secs Computing kpt #: 170 total cpu time spent up to now is 79.6 secs Computing kpt #: 171 total cpu time spent up to now is 80.0 secs Computing kpt #: 172 total cpu time spent up to now is 80.5 secs Computing kpt #: 173 total cpu time spent up to now is 81.0 secs Computing kpt #: 174 total cpu time spent up to now is 81.4 secs Computing kpt #: 175 total cpu time spent up to now is 81.8 secs Computing kpt #: 176 total cpu time spent up to now is 82.3 secs Computing kpt #: 177 total cpu time spent up to now is 82.7 secs Computing kpt #: 178 total cpu time spent up to now is 83.2 secs Computing kpt #: 179 total cpu time spent up to now is 83.6 secs Computing kpt #: 180 total cpu time spent up to now is 84.2 secs Computing kpt #: 181 total cpu time spent up to now is 84.7 secs Computing kpt #: 182 total cpu time spent up to now is 85.2 secs Computing kpt #: 183 total cpu time spent up to now is 85.7 secs Computing kpt #: 184 total cpu time spent up to now is 86.2 secs Computing kpt #: 185 total cpu time spent up to now is 86.6 secs Computing kpt #: 186 total cpu time spent up to now is 87.1 secs Computing kpt #: 187 total cpu time spent up to now is 87.6 secs Computing kpt #: 188 total cpu time spent up to now is 88.0 secs Computing kpt #: 189 total cpu time spent up to now is 88.5 secs Computing kpt #: 190 total cpu time spent up to now is 88.9 secs Computing kpt #: 191 total cpu time spent up to now is 89.3 secs Computing kpt #: 192 total cpu time spent up to now is 89.7 secs Computing kpt #: 193 total cpu time spent up to now is 90.1 secs Computing kpt #: 194 total cpu time spent up to now is 90.5 secs Computing kpt #: 195 total cpu time spent up to now is 90.8 secs Computing kpt #: 196 total cpu time spent up to now is 91.2 secs Computing kpt #: 197 total cpu time spent up to now is 91.6 secs Computing kpt #: 198 total cpu time spent up to now is 92.0 secs Computing kpt #: 199 total cpu time spent up to now is 92.4 secs Computing kpt #: 200 total cpu time spent up to now is 92.8 secs Computing kpt #: 201 total cpu time spent up to now is 93.2 secs Computing kpt #: 202 total cpu time spent up to now is 93.6 secs Computing kpt #: 203 total cpu time spent up to now is 94.0 secs Computing kpt #: 204 total cpu time spent up to now is 94.3 secs Computing kpt #: 205 total cpu time spent up to now is 94.7 secs Computing kpt #: 206 total cpu time spent up to now is 95.1 secs Computing kpt #: 207 total cpu time spent up to now is 95.5 secs Computing kpt #: 208 total cpu time spent up to now is 95.9 secs Computing kpt #: 209 total cpu time spent up to now is 96.3 secs Computing kpt #: 210 total cpu time spent up to now is 96.7 secs Computing kpt #: 211 total cpu time spent up to now is 97.1 secs Computing kpt #: 212 total cpu time spent up to now is 97.5 secs Computing kpt #: 213 total cpu time spent up to now is 97.9 secs Computing kpt #: 214 total cpu time spent up to now is 98.3 secs Computing kpt #: 215 total cpu time spent up to now is 98.7 secs Computing kpt #: 216 total cpu time spent up to now is 99.0 secs Computing kpt #: 217 total cpu time spent up to now is 99.4 secs Computing kpt #: 218 total cpu time spent up to now is 99.8 secs Computing kpt #: 219 total cpu time spent up to now is 100.2 secs Computing kpt #: 220 total cpu time spent up to now is 100.6 secs Computing kpt #: 221 total cpu time spent up to now is 101.0 secs Computing kpt #: 222 total cpu time spent up to now is 101.4 secs Computing kpt #: 223 total cpu time spent up to now is 101.8 secs Computing kpt #: 224 total cpu time spent up to now is 102.2 secs Computing kpt #: 225 total cpu time spent up to now is 102.6 secs Computing kpt #: 226 total cpu time spent up to now is 103.0 secs Computing kpt #: 227 total cpu time spent up to now is 103.4 secs Computing kpt #: 228 total cpu time spent up to now is 103.8 secs Computing kpt #: 229 total cpu time spent up to now is 104.2 secs Computing kpt #: 230 total cpu time spent up to now is 104.6 secs Computing kpt #: 231 total cpu time spent up to now is 105.0 secs Computing kpt #: 232 total cpu time spent up to now is 105.5 secs Computing kpt #: 233 total cpu time spent up to now is 105.9 secs Computing kpt #: 234 total cpu time spent up to now is 106.3 secs Computing kpt #: 235 total cpu time spent up to now is 106.7 secs Computing kpt #: 236 total cpu time spent up to now is 107.0 secs Computing kpt #: 237 total cpu time spent up to now is 107.4 secs Computing kpt #: 238 total cpu time spent up to now is 107.9 secs Computing kpt #: 239 total cpu time spent up to now is 108.3 secs Computing kpt #: 240 total cpu time spent up to now is 108.7 secs Computing kpt #: 241 total cpu time spent up to now is 109.1 secs Computing kpt #: 242 total cpu time spent up to now is 109.5 secs Computing kpt #: 243 total cpu time spent up to now is 110.0 secs Computing kpt #: 244 total cpu time spent up to now is 110.4 secs Computing kpt #: 245 total cpu time spent up to now is 110.8 secs Computing kpt #: 246 total cpu time spent up to now is 111.2 secs Computing kpt #: 247 total cpu time spent up to now is 111.6 secs Computing kpt #: 248 total cpu time spent up to now is 112.1 secs Computing kpt #: 249 total cpu time spent up to now is 112.5 secs Computing kpt #: 250 total cpu time spent up to now is 112.9 secs Computing kpt #: 251 total cpu time spent up to now is 113.3 secs Computing kpt #: 252 total cpu time spent up to now is 113.8 secs Computing kpt #: 253 total cpu time spent up to now is 114.2 secs Computing kpt #: 254 total cpu time spent up to now is 114.6 secs Computing kpt #: 255 total cpu time spent up to now is 115.1 secs Computing kpt #: 256 total cpu time spent up to now is 115.5 secs Computing kpt #: 257 total cpu time spent up to now is 115.9 secs Computing kpt #: 258 total cpu time spent up to now is 116.3 secs Computing kpt #: 259 total cpu time spent up to now is 116.7 secs Computing kpt #: 260 total cpu time spent up to now is 117.2 secs Computing kpt #: 261 total cpu time spent up to now is 117.6 secs Computing kpt #: 262 total cpu time spent up to now is 118.1 secs Computing kpt #: 263 total cpu time spent up to now is 118.6 secs Computing kpt #: 264 total cpu time spent up to now is 119.1 secs Computing kpt #: 265 total cpu time spent up to now is 119.6 secs Computing kpt #: 266 total cpu time spent up to now is 120.1 secs Computing kpt #: 267 total cpu time spent up to now is 120.6 secs Computing kpt #: 268 total cpu time spent up to now is 121.1 secs Computing kpt #: 269 total cpu time spent up to now is 121.7 secs Computing kpt #: 270 total cpu time spent up to now is 122.3 secs Computing kpt #: 271 total cpu time spent up to now is 123.1 secs Computing kpt #: 272 total cpu time spent up to now is 124.0 secs Computing kpt #: 273 total cpu time spent up to now is 124.5 secs Computing kpt #: 274 total cpu time spent up to now is 125.0 secs Computing kpt #: 275 total cpu time spent up to now is 125.6 secs Computing kpt #: 276 total cpu time spent up to now is 126.3 secs Computing kpt #: 277 total cpu time spent up to now is 127.0 secs Computing kpt #: 278 total cpu time spent up to now is 128.0 secs Computing kpt #: 279 total cpu time spent up to now is 128.7 secs Computing kpt #: 280 total cpu time spent up to now is 129.4 secs Computing kpt #: 281 total cpu time spent up to now is 130.0 secs Computing kpt #: 282 total cpu time spent up to now is 130.7 secs Computing kpt #: 283 total cpu time spent up to now is 131.3 secs Computing kpt #: 284 total cpu time spent up to now is 132.0 secs Computing kpt #: 285 total cpu time spent up to now is 132.6 secs Computing kpt #: 286 total cpu time spent up to now is 133.2 secs Computing kpt #: 287 total cpu time spent up to now is 133.7 secs Computing kpt #: 288 total cpu time spent up to now is 134.2 secs Computing kpt #: 289 total cpu time spent up to now is 134.7 secs Computing kpt #: 290 total cpu time spent up to now is 135.1 secs Computing kpt #: 291 total cpu time spent up to now is 135.7 secs Computing kpt #: 292 total cpu time spent up to now is 136.2 secs Computing kpt #: 293 total cpu time spent up to now is 136.8 secs Computing kpt #: 294 total cpu time spent up to now is 137.4 secs Computing kpt #: 295 total cpu time spent up to now is 138.0 secs Computing kpt #: 296 total cpu time spent up to now is 138.5 secs Computing kpt #: 297 total cpu time spent up to now is 139.0 secs Computing kpt #: 298 total cpu time spent up to now is 139.5 secs Computing kpt #: 299 total cpu time spent up to now is 139.9 secs Computing kpt #: 300 total cpu time spent up to now is 140.4 secs Computing kpt #: 301 total cpu time spent up to now is 140.9 secs Computing kpt #: 302 total cpu time spent up to now is 141.3 secs Computing kpt #: 303 total cpu time spent up to now is 141.8 secs Computing kpt #: 304 total cpu time spent up to now is 142.3 secs Computing kpt #: 305 total cpu time spent up to now is 142.8 secs Computing kpt #: 306 total cpu time spent up to now is 143.5 secs Computing kpt #: 307 total cpu time spent up to now is 144.0 secs Computing kpt #: 308 total cpu time spent up to now is 144.6 secs Computing kpt #: 309 total cpu time spent up to now is 145.1 secs Computing kpt #: 310 total cpu time spent up to now is 145.6 secs Computing kpt #: 311 total cpu time spent up to now is 146.1 secs Computing kpt #: 312 total cpu time spent up to now is 146.6 secs Computing kpt #: 313 total cpu time spent up to now is 147.1 secs Computing kpt #: 314 total cpu time spent up to now is 147.5 secs Computing kpt #: 315 total cpu time spent up to now is 148.0 secs Computing kpt #: 316 total cpu time spent up to now is 148.4 secs Computing kpt #: 317 total cpu time spent up to now is 148.9 secs Computing kpt #: 318 total cpu time spent up to now is 149.3 secs Computing kpt #: 319 total cpu time spent up to now is 149.7 secs Computing kpt #: 320 total cpu time spent up to now is 150.1 secs Computing kpt #: 321 total cpu time spent up to now is 150.5 secs Computing kpt #: 322 total cpu time spent up to now is 150.8 secs Computing kpt #: 323 total cpu time spent up to now is 151.2 secs Computing kpt #: 324 total cpu time spent up to now is 151.6 secs Computing kpt #: 325 total cpu time spent up to now is 152.0 secs Computing kpt #: 326 total cpu time spent up to now is 152.4 secs Computing kpt #: 327 total cpu time spent up to now is 152.8 secs Computing kpt #: 328 total cpu time spent up to now is 153.2 secs Computing kpt #: 329 total cpu time spent up to now is 153.6 secs Computing kpt #: 330 total cpu time spent up to now is 154.0 secs Computing kpt #: 331 total cpu time spent up to now is 154.3 secs Computing kpt #: 332 total cpu time spent up to now is 154.7 secs Computing kpt #: 333 total cpu time spent up to now is 155.1 secs Computing kpt #: 334 total cpu time spent up to now is 155.5 secs Computing kpt #: 335 total cpu time spent up to now is 155.9 secs Computing kpt #: 336 total cpu time spent up to now is 156.3 secs Computing kpt #: 337 total cpu time spent up to now is 156.7 secs Computing kpt #: 338 total cpu time spent up to now is 157.1 secs Computing kpt #: 339 total cpu time spent up to now is 157.5 secs Computing kpt #: 340 total cpu time spent up to now is 157.9 secs Computing kpt #: 341 total cpu time spent up to now is 158.3 secs Computing kpt #: 342 total cpu time spent up to now is 158.7 secs Computing kpt #: 343 total cpu time spent up to now is 159.1 secs Computing kpt #: 344 total cpu time spent up to now is 159.5 secs Computing kpt #: 345 total cpu time spent up to now is 159.9 secs Computing kpt #: 346 total cpu time spent up to now is 160.3 secs Computing kpt #: 347 total cpu time spent up to now is 160.7 secs Computing kpt #: 348 total cpu time spent up to now is 161.1 secs Computing kpt #: 349 total cpu time spent up to now is 161.4 secs Computing kpt #: 350 total cpu time spent up to now is 161.8 secs Computing kpt #: 351 total cpu time spent up to now is 162.2 secs Computing kpt #: 352 total cpu time spent up to now is 162.6 secs Computing kpt #: 353 total cpu time spent up to now is 163.0 secs Computing kpt #: 354 total cpu time spent up to now is 163.4 secs Computing kpt #: 355 total cpu time spent up to now is 163.8 secs Computing kpt #: 356 total cpu time spent up to now is 164.2 secs Computing kpt #: 357 total cpu time spent up to now is 164.6 secs Computing kpt #: 358 total cpu time spent up to now is 165.0 secs Computing kpt #: 359 total cpu time spent up to now is 165.4 secs Computing kpt #: 360 total cpu time spent up to now is 165.8 secs Computing kpt #: 361 total cpu time spent up to now is 166.2 secs Computing kpt #: 362 total cpu time spent up to now is 166.6 secs Computing kpt #: 363 total cpu time spent up to now is 167.0 secs Computing kpt #: 364 total cpu time spent up to now is 167.4 secs Computing kpt #: 365 total cpu time spent up to now is 167.8 secs Computing kpt #: 366 total cpu time spent up to now is 168.2 secs ethr = 2.50E-08, avg # of iterations = 23.1 total cpu time spent up to now is 168.2 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3367 PWs) bands (ev): 1.6712 1.6712 1.7404 1.7404 1.7527 1.7527 1.7823 1.7823 1.9513 1.9513 1.9787 1.9787 2.6372 2.6372 2.6450 2.6450 2.8362 2.8362 2.9145 2.9145 3.0762 3.0762 3.0911 3.0911 3.3027 3.3027 3.3715 3.3715 3.5363 3.5363 3.5433 3.5433 10.1577 10.1577 10.3735 10.3735 11.1340 11.1340 11.1761 11.1761 11.5093 11.5093 12.8447 12.8447 12.9248 12.9248 12.9741 12.9741 k = 0.0000 0.0139-0.0000 ( 3367 PWs) bands (ev): 1.6717 1.6717 1.7408 1.7408 1.7530 1.7530 1.7827 1.7827 1.9516 1.9516 1.9790 1.9790 2.6372 2.6372 2.6452 2.6452 2.8362 2.8362 2.9162 2.9162 3.0760 3.0760 3.0910 3.0910 3.3022 3.3022 3.3711 3.3711 3.5357 3.5357 3.5428 3.5428 10.1454 10.1454 10.3687 10.3687 11.1384 11.1384 11.1815 11.1815 11.5071 11.5071 12.8470 12.8470 12.9262 12.9262 12.9757 12.9757 k = 0.0000 0.0278-0.0000 ( 3367 PWs) bands (ev): 1.6731 1.6731 1.7418 1.7418 1.7541 1.7541 1.7840 1.7840 1.9525 1.9525 1.9800 1.9800 2.6375 2.6375 2.6455 2.6455 2.8361 2.8361 2.9213 2.9213 3.0754 3.0754 3.0906 3.0906 3.3006 3.3006 3.3702 3.3702 3.5337 3.5337 3.5416 3.5416 10.1074 10.1074 10.3581 10.3581 11.1423 11.1423 11.2045 11.2045 11.5008 11.5008 12.8539 12.8539 12.9298 12.9298 12.9811 12.9811 k = 0.0000 0.0417-0.0000 ( 3363 PWs) bands (ev): 1.6754 1.6754 1.7435 1.7435 1.7559 1.7559 1.7862 1.7862 1.9541 1.9541 1.9817 1.9817 2.6379 2.6379 2.6461 2.6461 2.8361 2.8361 2.9297 2.9297 3.0744 3.0744 3.0900 3.0900 3.2981 3.2981 3.3685 3.3685 3.5302 3.5302 3.5398 3.5398 10.0428 10.0428 10.3483 10.3483 11.1387 11.1387 11.2467 11.2467 11.4904 11.4904 12.8653 12.8653 12.9343 12.9343 12.9916 12.9916 k = 0.0000 0.0556-0.0000 ( 3369 PWs) bands (ev): 1.6787 1.6787 1.7457 1.7457 1.7584 1.7584 1.7891 1.7891 1.9561 1.9561 1.9840 1.9840 2.6383 2.6383 2.6468 2.6468 2.8359 2.8359 2.9413 2.9413 3.0731 3.0731 3.0891 3.0891 3.2944 3.2944 3.3662 3.3662 3.5251 3.5251 3.5375 3.5375 9.9546 9.9546 10.3425 10.3425 11.1300 11.1300 11.2998 11.2998 11.4763 11.4763 12.8809 12.8809 12.9384 12.9384 13.0085 13.0085 k = 0.0000 0.0694-0.0000 ( 3371 PWs) bands (ev): 1.6827 1.6827 1.7483 1.7483 1.7620 1.7620 1.7930 1.7930 1.9587 1.9587 1.9869 1.9869 2.6390 2.6390 2.6478 2.6478 2.8359 2.8359 2.9559 2.9559 3.0718 3.0718 3.0882 3.0882 3.2896 3.2896 3.3633 3.3633 3.5184 3.5184 3.5348 3.5348 9.8482 9.8482 10.3406 10.3406 11.1177 11.1177 11.3574 11.3574 11.4594 11.4594 12.8999 12.8999 12.9424 12.9424 13.0323 13.0323 k = 0.0000 0.0833-0.0000 ( 3375 PWs) bands (ev): 1.6877 1.6877 1.7514 1.7514 1.7665 1.7665 1.7976 1.7976 1.9618 1.9618 1.9905 1.9905 2.6397 2.6397 2.6490 2.6490 2.8358 2.8358 2.9729 2.9729 3.0708 3.0708 3.0872 3.0872 3.2837 3.2837 3.3597 3.3597 3.5103 3.5103 3.5317 3.5317 9.7281 9.7281 10.3417 10.3417 11.1025 11.1025 11.4092 11.4092 11.4471 11.4471 12.9186 12.9186 12.9499 12.9499 13.0624 13.0624 k = 0.0000 0.0972-0.0000 ( 3375 PWs) bands (ev): 1.6936 1.6936 1.7546 1.7546 1.7720 1.7720 1.8031 1.8031 1.9655 1.9655 1.9947 1.9947 2.6406 2.6406 2.6505 2.6505 2.8357 2.8357 2.9910 2.9910 3.0713 3.0713 3.0863 3.0863 3.2768 3.2768 3.3555 3.3555 3.5007 3.5007 3.5285 3.5285 9.5978 9.5978 10.3450 10.3450 11.0848 11.0848 11.4059 11.4059 11.4870 11.4870 12.9290 12.9290 12.9694 12.9694 13.0982 13.0982 k = 0.0000 0.1111-0.0000 ( 3377 PWs) bands (ev): 1.7003 1.7003 1.7581 1.7581 1.7785 1.7785 1.8094 1.8094 1.9696 1.9696 1.9995 1.9995 2.6416 2.6416 2.6521 2.6521 2.8356 2.8356 3.0074 3.0074 3.0752 3.0752 3.0863 3.0863 3.2687 3.2687 3.3507 3.3507 3.4899 3.4899 3.5250 3.5250 9.4596 9.4596 10.3499 10.3499 11.0649 11.0649 11.3808 11.3808 11.5452 11.5452 12.9316 12.9316 13.0003 13.0003 13.1394 13.1394 k = 0.0000 0.1250-0.0000 ( 3373 PWs) bands (ev): 1.7078 1.7078 1.7618 1.7618 1.7861 1.7861 1.8166 1.8166 1.9742 1.9742 2.0050 2.0050 2.6426 2.6426 2.6540 2.6540 2.8356 2.8356 3.0177 3.0177 3.0796 3.0796 3.0945 3.0945 3.2597 3.2597 3.3455 3.3455 3.4778 3.4778 3.5213 3.5213 9.3154 9.3154 10.3563 10.3563 11.0429 11.0429 11.3520 11.3520 11.6035 11.6035 12.9317 12.9317 13.0376 13.0376 13.1855 13.1855 k = 0.0000 0.1389-0.0000 ( 3377 PWs) bands (ev): 1.7160 1.7160 1.7657 1.7657 1.7945 1.7945 1.8246 1.8246 1.9793 1.9793 2.0109 2.0109 2.6437 2.6437 2.6560 2.6560 2.8355 2.8355 3.0205 3.0205 3.0792 3.0792 3.1172 3.1172 3.2499 3.2499 3.3394 3.3394 3.4645 3.4645 3.5177 3.5177 9.1665 9.1665 10.3639 10.3639 11.0192 11.0192 11.3210 11.3210 11.6605 11.6605 12.9308 12.9308 13.0796 13.0796 13.2361 13.2361 k = 0.0000 0.1528-0.0000 ( 3377 PWs) bands (ev): 1.7248 1.7248 1.7699 1.7699 1.8039 1.8039 1.8333 1.8333 1.9847 1.9847 2.0172 2.0172 2.6449 2.6449 2.6582 2.6582 2.8354 2.8354 3.0182 3.0182 3.0774 3.0774 3.1476 3.1476 3.2403 3.2403 3.3329 3.3329 3.4504 3.4504 3.5142 3.5142 9.0138 9.0138 10.3725 10.3725 10.9941 10.9941 11.2882 11.2882 11.7161 11.7161 12.9293 12.9293 13.1259 13.1259 13.2911 13.2911 k = 0.0000 0.1667-0.0000 ( 3379 PWs) bands (ev): 1.7343 1.7343 1.7744 1.7744 1.8141 1.8141 1.8428 1.8428 1.9905 1.9905 2.0241 2.0241 2.6460 2.6460 2.6607 2.6607 2.8353 2.8353 3.0131 3.0131 3.0752 3.0752 3.1785 3.1785 3.2349 3.2349 3.3259 3.3259 3.4354 3.4354 3.5108 3.5108 8.8583 8.8583 10.3820 10.3820 10.9677 10.9677 11.2542 11.2542 11.7702 11.7702 12.9275 12.9275 13.1762 13.1762 13.3502 13.3502 k = 0.0000 0.1806-0.0000 ( 3377 PWs) bands (ev): 1.7444 1.7444 1.7791 1.7791 1.8251 1.8251 1.8531 1.8531 1.9967 1.9967 2.0313 2.0313 2.6471 2.6471 2.6634 2.6634 2.8353 2.8353 3.0065 3.0065 3.0725 3.0725 3.1917 3.1917 3.2506 3.2506 3.3183 3.3183 3.4198 3.4198 3.5075 3.5075 8.7007 8.7007 10.3924 10.3924 10.9403 10.9403 11.2193 11.2193 11.8229 11.8229 12.9254 12.9254 13.2303 13.2303 13.4132 13.4132 k = 0.0000 0.1944-0.0000 ( 3393 PWs) bands (ev): 1.7547 1.7547 1.7841 1.7841 1.8369 1.8369 1.8639 1.8639 2.0030 2.0030 2.0387 2.0387 2.6479 2.6479 2.6664 2.6664 2.8352 2.8352 2.9987 2.9987 3.0693 3.0693 3.1836 3.1836 3.2901 3.2901 3.3104 3.3104 3.4033 3.4033 3.5047 3.5047 8.5416 8.5416 10.4036 10.4036 10.9121 10.9121 11.1837 11.1837 11.8745 11.8745 12.9231 12.9231 13.2880 13.2880 13.4798 13.4798 k = 0.0000 0.2083-0.0000 ( 3393 PWs) bands (ev): 1.7652 1.7652 1.7895 1.7895 1.8494 1.8494 1.8756 1.8756 2.0098 2.0098 2.0465 2.0465 2.6486 2.6486 2.6697 2.6697 2.8353 2.8353 2.9905 2.9905 3.0657 3.0657 3.1695 3.1695 3.3012 3.3012 3.3389 3.3389 3.3867 3.3867 3.5027 3.5027 8.3815 8.3815 10.4156 10.4156 10.8835 10.8835 11.1479 11.1479 11.9251 11.9251 12.9206 12.9206 13.3492 13.3492 13.5500 13.5500 k = 0.0000 0.2222-0.0000 ( 3393 PWs) bands (ev): 1.7757 1.7757 1.7956 1.7956 1.8625 1.8625 1.8879 1.8879 2.0168 2.0168 2.0544 2.0544 2.6490 2.6490 2.6733 2.6733 2.8353 2.8353 2.9817 2.9817 3.0616 3.0616 3.1532 3.1532 3.2921 3.2921 3.3692 3.3692 3.3916 3.3916 3.5022 3.5022 8.2208 8.2208 10.4282 10.4282 10.8546 10.8546 11.1120 11.1120 11.9747 11.9747 12.9181 12.9181 13.4136 13.4136 13.6235 13.6235 k = 0.0000 0.2361-0.0000 ( 3395 PWs) bands (ev): 1.7857 1.7857 1.8026 1.8026 1.8761 1.8761 1.9008 1.9008 2.0242 2.0242 2.0624 2.0624 2.6491 2.6491 2.6772 2.6772 2.8354 2.8354 2.9724 2.9724 3.0568 3.0568 3.1356 3.1356 3.2823 3.2823 3.3530 3.3530 3.4422 3.4422 3.5072 3.5072 8.0599 8.0599 10.4413 10.4413 10.8257 10.8257 11.0763 11.0763 12.0235 12.0235 12.9155 12.9155 13.4811 13.4811 13.7002 13.7002 k = 0.0000 0.2500-0.0000 ( 3391 PWs) bands (ev): 1.7944 1.7944 1.8111 1.8111 1.8903 1.8903 1.9142 1.9142 2.0319 2.0319 2.0705 2.0705 2.6488 2.6488 2.6816 2.6816 2.8356 2.8356 2.9630 2.9630 3.0513 3.0513 3.1172 3.1172 3.2718 3.2718 3.3368 3.3368 3.4732 3.4732 3.5363 3.5363 7.8993 7.8993 10.4549 10.4549 10.7971 10.7971 11.0410 11.0410 12.0716 12.0716 12.9128 12.9128 13.5515 13.5515 13.7798 13.7798 k = 0.0000 0.2639-0.0000 ( 3387 PWs) bands (ev): 1.8017 1.8017 1.8211 1.8211 1.9049 1.9049 1.9282 1.9282 2.0398 2.0398 2.0784 2.0784 2.6481 2.6481 2.6863 2.6863 2.8359 2.8359 2.9534 2.9534 3.0450 3.0450 3.0981 3.0981 3.2606 3.2606 3.3215 3.3215 3.4799 3.4799 3.5937 3.5937 7.7392 7.7392 10.4689 10.4689 10.7688 10.7688 11.0065 11.0065 12.1189 12.1189 12.9101 12.9101 13.6246 13.6246 13.8621 13.8621 k = 0.0000 0.2778-0.0000 ( 3387 PWs) bands (ev): 1.8081 1.8081 1.8322 1.8322 1.9198 1.9198 1.9426 1.9426 2.0480 2.0480 2.0862 2.0862 2.6467 2.6467 2.6915 2.6915 2.8362 2.8362 2.9438 2.9438 3.0380 3.0380 3.0786 3.0786 3.2484 3.2484 3.3072 3.3072 3.4805 3.4805 3.6609 3.6609 7.5798 7.5798 10.4831 10.4831 10.7412 10.7412 10.9729 10.9729 12.1654 12.1654 12.9075 12.9075 13.7001 13.7001 13.9469 13.9469 k = 0.0000 0.2917-0.0000 ( 3395 PWs) bands (ev): 1.8138 1.8138 1.8435 1.8435 1.9349 1.9349 1.9573 1.9573 2.0565 2.0565 2.0937 2.0937 2.6445 2.6445 2.6969 2.6969 2.8364 2.8364 2.9345 2.9345 3.0300 3.0300 3.0588 3.0588 3.2353 3.2353 3.2943 3.2943 3.4797 3.4797 3.7333 3.7333 7.4215 7.4215 10.4974 10.4974 10.7145 10.7145 10.9403 10.9403 12.2112 12.2112 12.9048 12.9048 13.7778 13.7778 14.0336 14.0336 k = 0.0000 0.3056-0.0000 ( 3395 PWs) bands (ev): 1.8193 1.8193 1.8551 1.8551 1.9501 1.9501 1.9723 1.9723 2.0653 2.0653 2.1009 2.1009 2.6416 2.6416 2.7029 2.7029 2.8366 2.8366 2.9252 2.9252 3.0211 3.0211 3.0391 3.0391 3.2214 3.2214 3.2828 3.2828 3.4787 3.4787 3.8097 3.8097 7.2645 7.2645 10.5116 10.5116 10.6889 10.6889 10.9091 10.9091 12.2560 12.2560 12.9022 12.9022 13.8573 13.8573 14.1212 14.1212 k = 0.0000 0.3194-0.0000 ( 3395 PWs) bands (ev): 1.8245 1.8245 1.8666 1.8666 1.9653 1.9653 1.9875 1.9875 2.0745 2.0745 2.1077 2.1077 2.6380 2.6380 2.7093 2.7093 2.8368 2.8368 2.9163 2.9163 3.0110 3.0110 3.0200 3.0200 3.2069 3.2069 3.2729 3.2729 3.4776 3.4776 3.8898 3.8898 7.1090 7.1090 10.5254 10.5254 10.6648 10.6648 10.8793 10.8793 12.2997 12.2997 12.8997 12.8997 13.9382 13.9382 14.2046 14.2046 k = 0.0000 0.3333-0.0000 ( 3397 PWs) bands (ev): 1.8294 1.8294 1.8777 1.8777 1.9802 1.9802 2.0025 2.0025 2.0841 2.0841 2.1140 2.1140 2.6334 2.6334 2.7160 2.7160 2.8371 2.8371 2.9079 2.9079 2.9973 2.9973 3.0041 3.0041 3.1920 3.1920 3.2642 3.2642 3.4764 3.4764 3.9734 3.9734 6.9551 6.9551 10.5383 10.5383 10.6427 10.6427 10.8511 10.8511 12.3422 12.3422 12.8973 12.8973 14.0200 14.0200 14.2284 14.2284 k = 0.0000 0.3472-0.0000 ( 3397 PWs) bands (ev): 1.8342 1.8342 1.8883 1.8883 1.9950 1.9950 2.0173 2.0173 2.0941 2.0941 2.1198 2.1198 2.6279 2.6279 2.7231 2.7231 2.8373 2.8373 2.9000 2.9000 2.9796 2.9796 2.9922 2.9922 3.1772 3.1772 3.2568 3.2568 3.4754 3.4754 4.0604 4.0604 6.8032 6.8032 10.5492 10.5492 10.6235 10.6235 10.8247 10.8247 12.3832 12.3832 12.8950 12.8950 14.1011 14.1011 14.1653 14.1653 k = 0.0000 0.3611-0.0000 ( 3397 PWs) bands (ev): 1.8386 1.8386 1.8984 1.8984 2.0093 2.0093 2.0317 2.0317 2.1045 2.1045 2.1250 2.1250 2.6216 2.6216 2.7304 2.7304 2.8376 2.8376 2.8928 2.8928 2.9618 2.9618 2.9810 2.9810 3.1625 3.1625 3.2504 3.2504 3.4745 3.4745 4.1507 4.1507 6.6534 6.6534 10.5556 10.5556 10.6099 10.6099 10.8002 10.8002 12.4225 12.4225 12.8929 12.8929 14.0903 14.0903 14.1876 14.1876 k = 0.0000 0.3750-0.0000 ( 3397 PWs) bands (ev): 1.8428 1.8428 1.9079 1.9079 2.0230 2.0230 2.0454 2.0454 2.1155 2.1155 2.1294 2.1294 2.6145 2.6145 2.7379 2.7379 2.8378 2.8378 2.8863 2.8863 2.9447 2.9447 2.9698 2.9698 3.1483 3.1483 3.2449 3.2449 3.4736 3.4736 4.2441 4.2441 6.5058 6.5058 10.5535 10.5535 10.6058 10.6058 10.7778 10.7778 12.4596 12.4596 12.8909 12.8909 14.0239 14.0239 14.2686 14.2686 k = 0.0000 0.3889-0.0000 ( 3393 PWs) bands (ev): 1.8466 1.8466 1.9165 1.9165 2.0360 2.0360 2.0582 2.0582 2.1268 2.1268 2.1332 2.1332 2.6068 2.6068 2.7455 2.7455 2.8381 2.8381 2.8804 2.8804 2.9288 2.9288 2.9589 2.9589 3.1347 3.1347 3.2403 3.2403 3.4729 3.4729 4.3405 4.3405 6.3607 6.3607 10.5438 10.5438 10.6102 10.6102 10.7576 10.7576 12.4943 12.4943 12.8890 12.8890 13.9625 13.9625 14.3486 14.3486 k = 0.0000 0.4028-0.0000 ( 3396 PWs) bands (ev): 1.8500 1.8500 1.9242 1.9242 2.0480 2.0480 2.0701 2.0701 2.1360 2.1360 2.1384 2.1384 2.5986 2.5986 2.7529 2.7529 2.8383 2.8383 2.8752 2.8752 2.9141 2.9141 2.9484 2.9484 3.1218 3.1218 3.2364 3.2364 3.4722 3.4722 4.4398 4.4398 6.2184 6.2184 10.5316 10.5316 10.6178 10.6178 10.7397 10.7397 12.5263 12.5263 12.8874 12.8874 13.9071 13.9071 14.4260 14.4260 k = 0.0000 0.4167-0.0000 ( 3396 PWs) bands (ev): 1.8531 1.8531 1.9311 1.9311 2.0588 2.0588 2.0810 2.0810 2.1382 2.1382 2.1498 2.1498 2.5904 2.5904 2.7599 2.7599 2.8387 2.8387 2.8706 2.8706 2.9010 2.9010 2.9387 2.9387 3.1100 3.1100 3.2331 3.2331 3.4717 3.4717 4.5415 4.5415 6.0792 6.0792 10.5196 10.5196 10.6259 10.6259 10.7242 10.7242 12.5551 12.5551 12.8859 12.8859 13.8582 13.8582 14.4994 14.4994 k = 0.0000 0.4306-0.0000 ( 3394 PWs) bands (ev): 1.8557 1.8557 1.9369 1.9369 2.0683 2.0683 2.0910 2.0910 2.1394 2.1394 2.1607 2.1607 2.5823 2.5823 2.7665 2.7665 2.8391 2.8391 2.8666 2.8666 2.8898 2.8898 2.9300 2.9300 3.0994 3.0994 3.2304 3.2304 3.4712 3.4712 4.6454 4.6454 5.9436 5.9436 10.5088 10.5088 10.6331 10.6331 10.7114 10.7114 12.5803 12.5803 12.8847 12.8847 13.8163 13.8163 14.5670 14.5670 k = 0.0000 0.4444-0.0000 ( 3382 PWs) bands (ev): 1.8580 1.8580 1.9418 1.9418 2.0763 2.0763 2.1001 2.1001 2.1397 2.1397 2.1706 2.1706 2.5749 2.5749 2.7722 2.7722 2.8397 2.8397 2.8632 2.8632 2.8805 2.8805 2.9227 2.9227 3.0903 3.0903 3.2285 3.2285 3.4709 3.4709 4.7504 4.7504 5.8125 5.8125 10.4996 10.4996 10.6390 10.6390 10.7014 10.7014 12.6015 12.6015 12.8836 12.8836 13.7816 13.7816 14.6270 14.6270 k = 0.0000 0.4583-0.0000 ( 3376 PWs) bands (ev): 1.8598 1.8598 1.9456 1.9456 2.0824 2.0824 2.1080 2.1080 2.1391 2.1391 2.1791 2.1791 2.5684 2.5684 2.7770 2.7770 2.8403 2.8403 2.8603 2.8603 2.8733 2.8733 2.9167 2.9167 3.0828 3.0828 3.2269 3.2269 3.4706 3.4706 4.8550 4.8550 5.6876 5.6876 10.4924 10.4924 10.6432 10.6432 10.6941 10.6942 12.6185 12.6185 12.8828 12.8828 13.7542 13.7542 14.6770 14.6770 k = 0.0000 0.4722-0.0000 ( 3372 PWs) bands (ev): 1.8611 1.8611 1.9484 1.9484 2.0869 2.0869 2.1149 2.1149 2.1377 2.1377 2.1856 2.1856 2.5634 2.5634 2.7805 2.7805 2.8410 2.8410 2.8581 2.8581 2.8681 2.8681 2.9124 2.9124 3.0772 3.0772 3.2259 3.2259 3.4704 3.4704 4.9550 4.9550 5.5731 5.5731 10.4872 10.4872 10.6457 10.6457 10.6896 10.6896 12.6308 12.6308 12.8822 12.8822 13.7346 13.7346 14.7150 14.7150 k = 0.0000 0.4861-0.0000 ( 3368 PWs) bands (ev): 1.8619 1.8619 1.9500 1.9500 2.0895 2.0895 2.1200 2.1200 2.1359 2.1359 2.1896 2.1896 2.5602 2.5602 2.7827 2.7827 2.8415 2.8415 2.8566 2.8566 2.8651 2.8651 2.9098 2.9098 3.0737 3.0737 3.2254 3.2254 3.4702 3.4702 5.0388 5.0388 5.4806 5.4806 10.4840 10.4840 10.6468 10.6468 10.6872 10.6872 12.6383 12.6383 12.8819 12.8819 13.7227 13.7227 14.7388 14.7388 k = 0.0000 0.5000-0.0000 ( 3366 PWs) bands (ev): 1.8621 1.8621 1.9505 1.9505 2.0904 2.0904 2.1222 2.1222 2.1348 2.1348 2.1910 2.1910 2.5592 2.5592 2.7834 2.7834 2.8417 2.8417 2.8561 2.8561 2.8641 2.8641 2.9090 2.9090 3.0726 3.0726 3.2252 3.2252 3.4702 3.4702 5.0760 5.0760 5.4405 5.4405 10.4830 10.4830 10.6471 10.6471 10.6865 10.6865 12.6409 12.6409 12.8818 12.8818 13.7187 13.7187 14.7469 14.7469 k = 0.0000 0.5000-0.0000 ( 3366 PWs) bands (ev): 1.8621 1.8621 1.9505 1.9505 2.0904 2.0904 2.1222 2.1222 2.1348 2.1348 2.1910 2.1910 2.5592 2.5592 2.7834 2.7834 2.8417 2.8417 2.8561 2.8561 2.8641 2.8641 2.9090 2.9090 3.0726 3.0726 3.2252 3.2252 3.4702 3.4702 5.0760 5.0760 5.4405 5.4405 10.4830 10.4830 10.6471 10.6471 10.6865 10.6865 12.6409 12.6409 12.8818 12.8818 13.7187 13.7187 14.7469 14.7469 k = 0.0139 0.5000-0.0000 ( 3372 PWs) bands (ev): 1.8625 1.8625 1.9508 1.9508 2.0905 2.0905 2.1221 2.1221 2.1350 2.1350 2.1909 2.1909 2.5593 2.5593 2.7830 2.7830 2.8412 2.8412 2.8567 2.8567 2.8639 2.8639 2.9089 2.9089 3.0725 3.0725 3.2247 3.2247 3.4695 3.4695 5.0772 5.0772 5.4429 5.4429 10.4772 10.4772 10.6459 10.6459 10.6869 10.6869 12.6414 12.6414 12.8755 12.8755 13.7237 13.7237 14.7375 14.7375 k = 0.0278 0.5000-0.0000 ( 3376 PWs) bands (ev): 1.8635 1.8635 1.9517 1.9517 2.0910 2.0910 2.1218 2.1218 2.1354 2.1354 2.1909 2.1909 2.5599 2.5599 2.7819 2.7819 2.8399 2.8399 2.8586 2.8586 2.8636 2.8636 2.9091 2.9091 3.0724 3.0724 3.2238 3.2238 3.4674 3.4674 5.0807 5.0807 5.4500 5.4500 10.4598 10.4598 10.6422 10.6422 10.6881 10.6881 12.6431 12.6431 12.8570 12.8570 13.7385 13.7385 14.7087 14.7087 k = 0.0417 0.5000-0.0000 ( 3368 PWs) bands (ev): 1.8652 1.8652 1.9532 1.9532 2.0917 2.0917 2.1215 2.1215 2.1362 2.1362 2.1908 2.1908 2.5609 2.5609 2.7802 2.7802 2.8380 2.8380 2.8606 2.8606 2.8638 2.8638 2.9093 2.9093 3.0723 3.0723 3.2222 3.2222 3.4641 3.4641 5.0866 5.0866 5.4618 5.4618 10.4307 10.4307 10.6360 10.6360 10.6907 10.6907 12.6459 12.6459 12.8272 12.8272 13.7625 13.7625 14.6597 14.6597 k = 0.0556 0.5000-0.0000 ( 3358 PWs) bands (ev): 1.8678 1.8678 1.9552 1.9552 2.0926 2.0926 2.1213 2.1213 2.1372 2.1372 2.1908 2.1908 2.5622 2.5622 2.7780 2.7780 2.8357 2.8357 2.8611 2.8611 2.8661 2.8661 2.9098 2.9098 3.0720 3.0720 3.2202 3.2202 3.4592 3.4592 5.0948 5.0948 5.4783 5.4783 10.3901 10.3901 10.6271 10.6271 10.6952 10.6952 12.6497 12.6497 12.7873 12.7873 13.7948 13.7948 14.5917 14.5917 k = 0.0694 0.5000-0.0000 ( 3366 PWs) bands (ev): 1.8709 1.8709 1.9576 1.9576 2.0936 2.0936 2.1211 2.1211 2.1383 2.1383 2.1906 2.1906 2.5638 2.5638 2.7753 2.7753 2.8328 2.8328 2.8608 2.8608 2.8695 2.8695 2.9104 2.9104 3.0714 3.0714 3.2176 3.2176 3.4527 3.4527 5.1054 5.1054 5.4994 5.4994 10.3384 10.3384 10.6151 10.6151 10.7021 10.7021 12.6546 12.6546 12.7389 12.7389 13.8343 13.8343 14.5078 14.5078 k = 0.0833 0.5000-0.0000 ( 3362 PWs) bands (ev): 1.8748 1.8748 1.9606 1.9606 2.0945 2.0945 2.1211 2.1211 2.1395 2.1395 2.1904 2.1904 2.5658 2.5658 2.7724 2.7724 2.8294 2.8294 2.8607 2.8607 2.8733 2.8733 2.9112 2.9112 3.0708 3.0708 3.2145 3.2145 3.4453 3.4453 5.1183 5.1183 5.5250 5.5250 10.2767 10.2767 10.5996 10.5996 10.7114 10.7114 12.6604 12.6604 12.6835 12.6835 13.8794 13.8794 14.4121 14.4121 k = 0.0972 0.5000-0.0000 ( 3362 PWs) bands (ev): 1.8792 1.8792 1.9640 1.9640 2.0954 2.0954 2.1216 2.1216 2.1408 2.1408 2.1902 2.1902 2.5682 2.5682 2.7693 2.7693 2.8256 2.8256 2.8609 2.8609 2.8769 2.8769 2.9124 2.9124 3.0700 3.0700 3.2109 3.2109 3.4365 3.4365 5.1335 5.1335 5.5551 5.5551 10.2061 10.2061 10.5805 10.5805 10.7231 10.7231 12.6222 12.6222 12.6677 12.6677 13.9285 13.9285 14.3086 14.3086 k = 0.1111 0.5000-0.0000 ( 3366 PWs) bands (ev): 1.8844 1.8844 1.9679 1.9679 2.0960 2.0960 2.1224 2.1224 2.1422 2.1422 2.1899 2.1899 2.5710 2.5710 2.7662 2.7662 2.8213 2.8213 2.8613 2.8613 2.8801 2.8801 2.9140 2.9140 3.0689 3.0689 3.2066 3.2066 3.4264 3.4264 5.1511 5.1511 5.5895 5.5895 10.1277 10.1277 10.5572 10.5572 10.7369 10.7369 12.5571 12.5571 12.6756 12.6756 13.9795 13.9795 14.2009 14.2009 k = 0.1250 0.5000-0.0000 ( 3370 PWs) bands (ev): 1.8901 1.8901 1.9722 1.9722 2.0963 2.0963 2.1237 2.1237 2.1436 2.1436 2.1895 2.1895 2.5741 2.5741 2.7630 2.7630 2.8167 2.8167 2.8619 2.8619 2.8826 2.8826 2.9164 2.9164 3.0676 3.0676 3.2020 3.2020 3.4151 3.4151 5.1710 5.1710 5.6283 5.6283 10.0425 10.0425 10.5294 10.5294 10.7527 10.7527 12.4890 12.4890 12.6844 12.6844 14.0295 14.0295 14.0926 14.0926 k = 0.1389 0.5000-0.0000 ( 3374 PWs) bands (ev): 1.8965 1.8965 1.9769 1.9769 2.0962 2.0962 2.1255 2.1255 2.1452 2.1452 2.1891 2.1891 2.5776 2.5776 2.7600 2.7600 2.8120 2.8120 2.8628 2.8628 2.8845 2.8845 2.9196 2.9196 3.0659 3.0659 3.1970 3.1970 3.4027 3.4027 5.1933 5.1933 5.6712 5.6712 9.9515 9.9515 10.4968 10.4968 10.7703 10.7703 12.4188 12.4188 12.6940 12.6940 13.9815 13.9815 14.0806 14.0806 k = 0.1528 0.5000-0.0000 ( 3374 PWs) bands (ev): 1.9034 1.9034 1.9821 1.9821 2.0959 2.0959 2.1275 2.1275 2.1468 2.1468 2.1886 2.1886 2.5816 2.5816 2.7571 2.7571 2.8073 2.8073 2.8638 2.8638 2.8857 2.8857 2.9235 2.9235 3.0640 3.0640 3.1915 3.1915 3.3894 3.3894 5.2178 5.2178 5.7181 5.7181 9.8558 9.8558 10.4590 10.4590 10.7896 10.7896 12.3476 12.3476 12.7044 12.7044 13.8763 13.8763 14.1231 14.1231 k = 0.1667 0.5000-0.0000 ( 3378 PWs) bands (ev): 1.9110 1.9110 1.9874 1.9874 2.0953 2.0953 2.1298 2.1298 2.1485 2.1485 2.1881 2.1881 2.5858 2.5858 2.7544 2.7544 2.8027 2.8027 2.8647 2.8647 2.8863 2.8863 2.9280 2.9280 3.0618 3.0618 3.1857 3.1857 3.3751 3.3751 5.2445 5.2445 5.7690 5.7690 9.7561 9.7561 10.4155 10.4155 10.8104 10.8104 12.2760 12.2760 12.7154 12.7154 13.7750 13.7750 14.1578 14.1578 k = 0.1806 0.5000-0.0000 ( 3374 PWs) bands (ev): 1.9191 1.9191 1.9930 1.9930 2.0946 2.0946 2.1322 2.1322 2.1504 2.1504 2.1875 2.1875 2.5906 2.5906 2.7519 2.7519 2.7984 2.7984 2.8656 2.8656 2.8867 2.8867 2.9329 2.9329 3.0593 3.0593 3.1795 3.1795 3.3600 3.3600 5.2736 5.2736 5.8238 5.8238 9.6532 9.6532 10.3660 10.3660 10.8324 10.8324 12.2047 12.2047 12.7268 12.7268 13.6793 13.6793 14.1821 14.1821 k = 0.1944 0.5000-0.0000 ( 3382 PWs) bands (ev): 1.9276 1.9276 1.9986 1.9986 2.0937 2.0937 2.1344 2.1344 2.1524 2.1524 2.1868 2.1868 2.5956 2.5956 2.7496 2.7496 2.7944 2.7944 2.8663 2.8663 2.8868 2.8868 2.9380 2.9380 3.0565 3.0565 3.1729 3.1729 3.3441 3.3441 5.3048 5.3048 5.8823 5.8823 9.5479 9.5479 10.3103 10.3103 10.8556 10.8556 12.1342 12.1342 12.7386 12.7386 13.5903 13.5903 14.1944 14.1944 k = 0.2083 0.5000-0.0000 ( 3382 PWs) bands (ev): 1.9367 1.9367 2.0045 2.0045 2.0928 2.0928 2.1366 2.1366 2.1545 2.1545 2.1862 2.1862 2.6011 2.6011 2.7476 2.7476 2.7910 2.7910 2.8668 2.8668 2.8870 2.8870 2.9430 2.9430 3.0535 3.0535 3.1661 3.1661 3.3276 3.3276 5.3381 5.3381 5.9445 5.9445 9.4406 9.4406 10.2482 10.2482 10.8797 10.8797 12.0648 12.0648 12.7506 12.7506 13.5088 13.5088 14.1946 14.1946 k = 0.2222 0.5000-0.0000 ( 3378 PWs) bands (ev): 1.9462 1.9462 2.0105 2.0105 2.0918 2.0918 2.1385 2.1385 2.1568 2.1568 2.1855 2.1855 2.6070 2.6070 2.7458 2.7458 2.7883 2.7883 2.8671 2.8671 2.8872 2.8872 2.9480 2.9480 3.0503 3.0503 3.1591 3.1591 3.3106 3.3106 5.3736 5.3736 6.0102 6.0102 9.3322 9.3322 10.1796 10.1796 10.9046 10.9046 11.9971 11.9971 12.7625 12.7625 13.4354 13.4354 14.1840 14.1840 k = 0.2361 0.5000-0.0000 ( 3380 PWs) bands (ev): 1.9560 1.9560 2.0165 2.0165 2.0909 2.0909 2.1402 2.1402 2.1590 2.1590 2.1847 2.1847 2.6133 2.6133 2.7442 2.7442 2.7863 2.7863 2.8671 2.8671 2.8873 2.8873 2.9526 2.9526 3.0469 3.0469 3.1517 3.1517 3.2932 3.2932 5.4111 5.4111 6.0794 6.0794 9.2230 9.2230 10.1045 10.1045 10.9300 10.9300 11.9313 11.9313 12.7741 12.7741 13.3705 13.3705 14.1647 14.1647 k = 0.2500 0.5000-0.0000 ( 3378 PWs) bands (ev): 1.9662 1.9662 2.0225 2.0225 2.0899 2.0899 2.1416 2.1416 2.1612 2.1612 2.1840 2.1840 2.6201 2.6201 2.7428 2.7428 2.7852 2.7852 2.8670 2.8670 2.8874 2.8874 2.9568 2.9568 3.0435 3.0435 3.1442 3.1442 3.2756 3.2756 5.4505 5.4505 6.1519 6.1519 9.1136 9.1136 10.0231 10.0231 10.9558 10.9558 11.8676 11.8676 12.7850 12.7850 13.3145 13.3145 14.1390 14.1390 k = 0.2639 0.5000-0.0000 ( 3386 PWs) bands (ev): 1.9766 1.9766 2.0283 2.0283 2.0891 2.0891 2.1427 2.1427 2.1633 2.1633 2.1833 2.1833 2.6272 2.6272 2.7415 2.7415 2.7849 2.7849 2.8667 2.8667 2.8872 2.8872 2.9602 2.9602 3.0400 3.0400 3.1363 3.1363 3.2579 3.2579 5.4917 5.4917 6.2276 6.2276 9.0044 9.0044 9.9357 9.9357 10.9818 10.9818 11.8063 11.8063 12.7951 12.7951 13.2674 13.2674 14.1091 14.1091 k = 0.2778 0.5000-0.0000 ( 3384 PWs) bands (ev): 1.9873 1.9873 2.0340 2.0340 2.0883 2.0883 2.1437 2.1437 2.1652 2.1652 2.1826 2.1826 2.6348 2.6348 2.7407 2.7407 2.7857 2.7857 2.8663 2.8663 2.8868 2.8868 2.9628 2.9628 3.0367 3.0367 3.1285 3.1285 3.2402 3.2402 5.5347 5.5347 6.3065 6.3065 8.8959 8.8959 9.8426 9.8426 11.0078 11.0078 11.7477 11.7477 12.8039 12.8039 13.2292 13.2292 14.0767 14.0767 k = 0.2917 0.5000-0.0000 ( 3386 PWs) bands (ev): 1.9981 1.9981 2.0394 2.0394 2.0875 2.0875 2.1445 2.1445 2.1669 2.1669 2.1819 2.1819 2.6428 2.6428 2.7402 2.7402 2.7874 2.7874 2.8658 2.8658 2.8861 2.8861 2.9643 2.9643 3.0336 3.0336 3.1206 3.1206 3.2228 3.2228 5.5792 5.5792 6.3884 6.3884 8.7886 8.7886 9.7444 9.7444 11.0335 11.0335 11.6918 11.6918 12.8112 12.8112 13.1996 13.1996 14.0432 14.0432 k = 0.3056 0.5000-0.0000 ( 3390 PWs) bands (ev): 2.0090 2.0090 2.0446 2.0446 2.0869 2.0869 2.1452 2.1452 2.1683 2.1683 2.1812 2.1812 2.6511 2.6511 2.7401 2.7401 2.7899 2.7899 2.8653 2.8653 2.8848 2.8848 2.9646 2.9646 3.0305 3.0305 3.1127 3.1127 3.2059 3.2059 5.6250 5.6250 6.4732 6.4732 8.6828 8.6828 9.6415 9.6415 11.0588 11.0588 11.6389 11.6389 12.8169 12.8169 13.1780 13.1780 14.0097 14.0097 k = 0.3194 0.5000-0.0000 ( 3390 PWs) bands (ev): 2.0200 2.0200 2.0494 2.0494 2.0863 2.0863 2.1458 2.1458 2.1694 2.1694 2.1805 2.1805 2.6598 2.6598 2.7406 2.7406 2.7933 2.7933 2.8649 2.8649 2.8829 2.8829 2.9636 2.9636 3.0275 3.0275 3.1053 3.1053 3.1897 3.1897 5.6720 5.6720 6.5609 6.5609 8.5791 8.5791 9.5345 9.5345 11.0834 11.0834 11.5891 11.5891 12.8210 12.8210 13.1638 13.1638 13.9769 13.9769 k = 0.3333 0.5000-0.0000 ( 3382 PWs) bands (ev): 2.0309 2.0309 2.0538 2.0538 2.0859 2.0859 2.1464 2.1464 2.1702 2.1702 2.1799 2.1799 2.6689 2.6689 2.7416 2.7416 2.7974 2.7974 2.8646 2.8646 2.8804 2.8804 2.9613 2.9613 3.0244 3.0244 3.0985 3.0985 3.1745 3.1745 5.7199 5.7199 6.6512 6.6512 8.4780 8.4780 9.4242 9.4242 11.1073 11.1073 11.5426 11.5426 12.8236 12.8236 13.1561 13.1561 13.9453 13.9453 k = 0.3472 0.5000-0.0000 ( 3382 PWs) bands (ev): 2.0416 2.0416 2.0579 2.0579 2.0857 2.0857 2.1468 2.1468 2.1707 2.1707 2.1793 2.1793 2.6784 2.6784 2.7433 2.7433 2.8021 2.8021 2.8645 2.8645 2.8771 2.8771 2.9578 2.9578 3.0205 3.0205 3.0924 3.0924 3.1604 3.1604 5.7684 5.7684 6.7442 6.7442 8.3800 8.3800 9.3109 9.3109 11.1300 11.1300 11.4994 11.4994 12.8252 12.8252 13.1536 13.1536 13.9154 13.9154 k = 0.3611 0.5000-0.0000 ( 3396 PWs) bands (ev): 2.0518 2.0518 2.0614 2.0614 2.0856 2.0856 2.1470 2.1470 2.1707 2.1707 2.1787 2.1787 2.6880 2.6880 2.7455 2.7455 2.8071 2.8071 2.8645 2.8645 2.8729 2.8729 2.9532 2.9532 3.0153 3.0153 3.0875 3.0875 3.1474 3.1474 5.8169 5.8169 6.8395 6.8395 8.2856 8.2856 9.1955 9.1955 11.1516 11.1516 11.4596 11.4596 12.8260 12.8260 13.1553 13.1553 13.8874 13.8874 k = 0.3750 0.5000-0.0000 ( 3400 PWs) bands (ev): 2.0612 2.0612 2.0650 2.0650 2.0860 2.0860 2.1473 2.1473 2.1703 2.1703 2.1782 2.1782 2.6980 2.6980 2.7484 2.7484 2.8123 2.8123 2.8647 2.8647 2.8681 2.8681 2.9477 2.9477 3.0087 3.0087 3.0839 3.0839 3.1360 3.1360 5.8651 5.8651 6.9370 6.9370 8.1955 8.1955 9.0784 9.0784 11.1717 11.1717 11.4234 11.4234 12.8264 12.8264 13.1600 13.1600 13.8617 13.8617 k = 0.3889 0.5000-0.0000 ( 3394 PWs) bands (ev): 2.0667 2.0667 2.0708 2.0708 2.0874 2.0874 2.1475 2.1475 2.1694 2.1694 2.1779 2.1779 2.7083 2.7083 2.7521 2.7521 2.8175 2.8175 2.8618 2.8618 2.8664 2.8664 2.9417 2.9417 3.0007 3.0007 3.0817 3.0817 3.1263 3.1263 5.9123 5.9123 7.0366 7.0366 8.1105 8.1105 8.9604 8.9604 11.1901 11.1901 11.3908 11.3908 12.8267 12.8267 13.1667 13.1667 13.8384 13.8384 k = 0.4028 0.5000-0.0000 ( 3392 PWs) bands (ev): 2.0694 2.0694 2.0765 2.0765 2.0911 2.0911 2.1477 2.1477 2.1680 2.1680 2.1777 2.1777 2.7188 2.7188 2.7565 2.7565 2.8221 2.8221 2.8554 2.8554 2.8680 2.8680 2.9352 2.9352 2.9915 2.9915 3.0805 3.0805 3.1179 3.1179 5.9578 5.9578 7.1377 7.1377 8.0314 8.0314 8.8421 8.8421 11.2068 11.2068 11.3620 11.3620 12.8270 12.8270 13.1746 13.1746 13.8177 13.8177 k = 0.4167 0.5000-0.0000 ( 3388 PWs) bands (ev): 2.0714 2.0714 2.0792 2.0792 2.0976 2.0976 2.1478 2.1478 2.1662 2.1662 2.1776 2.1776 2.7293 2.7293 2.7617 2.7617 2.8256 2.8256 2.8482 2.8482 2.8709 2.8709 2.9286 2.9286 2.9814 2.9814 3.0801 3.0801 3.1110 3.1110 6.0007 6.0007 7.2401 7.2401 7.9591 7.9591 8.7243 8.7243 11.2214 11.2214 11.3371 11.3371 12.8273 12.8273 13.1828 13.1828 13.7995 13.7995 k = 0.4306 0.5000-0.0000 ( 3384 PWs) bands (ev): 2.0731 2.0731 2.0803 2.0803 2.1053 2.1053 2.1478 2.1478 2.1639 2.1639 2.1775 2.1775 2.7399 2.7399 2.7673 2.7673 2.8275 2.8275 2.8405 2.8405 2.8752 2.8752 2.9222 2.9222 2.9708 2.9708 3.0802 3.0802 3.1054 3.1054 6.0400 6.0400 7.3430 7.3430 7.8948 7.8948 8.6079 8.6079 11.2338 11.2338 11.3161 11.3161 12.8277 12.8277 13.1908 13.1908 13.7840 13.7840 k = 0.4444 0.5000-0.0000 ( 3376 PWs) bands (ev): 2.0744 2.0744 2.0808 2.0808 2.1131 2.1131 2.1477 2.1477 2.1614 2.1614 2.1776 2.1776 2.7504 2.7504 2.7735 2.7735 2.8273 2.8273 2.8327 2.8327 2.8810 2.8810 2.9163 2.9163 2.9600 2.9600 3.0805 3.0805 3.1010 3.1010 6.0746 6.0746 7.4451 7.4451 7.8397 7.8397 8.4944 8.4944 11.2437 11.2437 11.2993 11.2993 12.8281 12.8281 13.1981 13.1981 13.7713 13.7713 k = 0.4583 0.5000-0.0000 ( 3380 PWs) bands (ev): 2.0754 2.0754 2.0810 2.0810 2.1204 2.1204 2.1471 2.1471 2.1585 2.1585 2.1776 2.1776 2.7607 2.7607 2.7800 2.7800 2.8222 2.8222 2.8276 2.8276 2.8880 2.8880 2.9115 2.9115 2.9491 2.9491 3.0808 3.0808 3.0977 3.0977 6.1032 6.1032 7.5441 7.5441 7.7950 7.7950 8.3864 8.3864 11.2507 11.2507 11.2871 11.2871 12.8285 12.8285 13.2041 13.2041 13.7614 13.7614 k = 0.4722 0.5000-0.0000 ( 3380 PWs) bands (ev): 2.0761 2.0761 2.0811 2.0811 2.1271 2.1271 2.1460 2.1460 2.1559 2.1559 2.1776 2.1776 2.7705 2.7705 2.7862 2.7862 2.8138 2.8138 2.8246 2.8246 2.8951 2.8951 2.9086 2.9086 2.9384 2.9384 3.0811 3.0811 3.0954 3.0954 6.1247 6.1247 7.6349 7.6349 7.7621 7.7621 8.2890 8.2890 11.2541 11.2541 11.2799 11.2799 12.8288 12.8288 13.2087 13.2087 13.7543 13.7543 k = 0.4861 0.5000-0.0000 ( 3376 PWs) bands (ev): 2.0765 2.0765 2.0812 2.0812 2.1329 2.1329 2.1439 2.1439 2.1542 2.1542 2.1776 2.1776 2.7791 2.7791 2.7917 2.7917 2.8052 2.8052 2.8217 2.8217 2.8997 2.8997 2.9106 2.9106 2.9281 2.9281 3.0814 3.0814 3.0941 3.0941 6.1381 6.1381 7.7058 7.7058 7.7419 7.7419 8.2140 8.2140 11.2545 11.2545 11.2772 11.2772 12.8290 12.8290 13.2116 13.2116 13.7500 13.7500 k = 0.5000 0.5000-0.0000 ( 3380 PWs) bands (ev): 2.0766 2.0766 2.0812 2.0812 2.1359 2.1359 2.1419 2.1419 2.1536 2.1536 2.1776 2.1776 2.7833 2.7833 2.7955 2.7955 2.7993 2.7993 2.8204 2.8204 2.9004 2.9004 2.9177 2.9177 2.9190 2.9190 3.0814 3.0814 3.0937 3.0937 6.1426 6.1426 7.7324 7.7324 7.7374 7.7374 8.1838 8.1838 11.2542 11.2542 11.2768 11.2768 12.8291 12.8291 13.2125 13.2125 13.7486 13.7486 k = 0.5000 0.5000-0.0000 ( 3380 PWs) bands (ev): 2.0766 2.0766 2.0812 2.0812 2.1359 2.1359 2.1419 2.1419 2.1536 2.1536 2.1776 2.1776 2.7833 2.7833 2.7955 2.7955 2.7993 2.7993 2.8204 2.8204 2.9004 2.9004 2.9177 2.9177 2.9190 2.9190 3.0814 3.0814 3.0937 3.0937 6.1426 6.1426 7.7324 7.7324 7.7374 7.7374 8.1838 8.1838 11.2542 11.2542 11.2768 11.2768 12.8291 12.8291 13.2125 13.2125 13.7486 13.7486 k = 0.4902 0.4902-0.0000 ( 3380 PWs) bands (ev): 2.0765 2.0765 2.0812 2.0812 2.1329 2.1329 2.1438 2.1438 2.1541 2.1541 2.1776 2.1776 2.7787 2.7787 2.7927 2.7927 2.8044 2.8044 2.8218 2.8218 2.9000 2.9000 2.9102 2.9102 2.9281 2.9281 3.0813 3.0813 3.0941 3.0941 6.1381 6.1381 7.7116 7.7116 7.7360 7.7360 8.2142 8.2142 11.2546 11.2546 11.2772 11.2772 12.8290 12.8290 13.2116 13.2116 13.7500 13.7500 k = 0.4804 0.4804-0.0000 ( 3372 PWs) bands (ev): 2.0758 2.0758 2.0815 2.0815 2.1274 2.1274 2.1457 2.1457 2.1561 2.1561 2.1777 2.1777 2.7683 2.7683 2.7914 2.7914 2.8094 2.8094 2.8260 2.8260 2.8984 2.8984 2.9050 2.9050 2.9391 2.9391 3.0812 3.0812 3.0955 3.0955 6.1242 6.1242 7.6567 7.6567 7.7384 7.7384 8.2913 8.2913 11.2552 11.2552 11.2788 11.2788 12.8288 12.8288 13.2087 13.2087 13.7543 13.7543 k = 0.4706 0.4706-0.0000 ( 3374 PWs) bands (ev): 2.0741 2.0741 2.0822 2.0822 2.1210 2.1210 2.1462 2.1462 2.1589 2.1589 2.1776 2.1776 2.7560 2.7560 2.7902 2.7902 2.8124 2.8124 2.8313 2.8313 2.8959 2.8959 2.9028 2.9028 2.9507 2.9507 3.0810 3.0810 3.0977 3.0977 6.1008 6.1008 7.5911 7.5911 7.7428 7.7428 8.3940 8.3940 11.2549 11.2549 11.2828 11.2828 12.8284 12.8284 13.2038 13.2038 13.7616 13.7616 k = 0.4608 0.4608-0.0000 ( 3378 PWs) bands (ev): 2.0715 2.0715 2.0833 2.0833 2.1143 2.1143 2.1458 2.1458 2.1619 2.1619 2.1776 2.1776 2.7431 2.7431 2.7887 2.7887 2.8145 2.8145 2.8360 2.8360 2.8948 2.8948 2.9019 2.9019 2.9627 2.9627 3.0807 3.0807 3.1008 3.1008 6.0672 6.0672 7.5274 7.5274 7.7489 7.7489 8.5103 8.5103 11.2529 11.2529 11.2900 11.2900 12.8279 12.8279 13.1969 13.1969 13.7720 13.7720 k = 0.4510 0.4510-0.0000 ( 3378 PWs) bands (ev): 2.0681 2.0681 2.0843 2.0843 2.1077 2.1077 2.1447 2.1447 2.1646 2.1646 2.1777 2.1777 2.7302 2.7302 2.7864 2.7864 2.8164 2.8164 2.8396 2.8396 2.8960 2.8960 2.9013 2.9013 2.9749 2.9749 3.0807 3.0807 3.1049 3.1049 6.0231 6.0231 7.4714 7.4714 7.7567 7.7567 8.6344 8.6344 11.2493 11.2493 11.3005 11.3005 12.8271 12.8271 13.1881 13.1881 13.7858 13.7858 k = 0.4412 0.4412-0.0000 ( 3378 PWs) bands (ev): 2.0638 2.0638 2.0842 2.0842 2.1023 2.1023 2.1431 2.1431 2.1668 2.1668 2.1778 2.1778 2.7174 2.7174 2.7832 2.7832 2.8180 2.8180 2.8426 2.8426 2.8986 2.8986 2.9014 2.9014 2.9870 2.9870 3.0812 3.0812 3.1100 3.1100 5.9684 5.9684 7.4263 7.4263 7.7664 7.7664 8.7632 8.7632 11.2444 11.2444 11.3139 11.3139 12.8262 12.8262 13.1772 13.1772 13.8030 13.8030 k = 0.4314 0.4314-0.0000 ( 3382 PWs) bands (ev): 2.0589 2.0589 2.0809 2.0809 2.0996 2.0996 2.1411 2.1411 2.1682 2.1682 2.1781 2.1781 2.7052 2.7052 2.7790 2.7790 2.8194 2.8194 2.8455 2.8455 2.9001 2.9001 2.9040 2.9040 2.9988 2.9988 3.0823 3.0823 3.1161 3.1161 5.9035 5.9035 7.3935 7.3935 7.7779 7.7779 8.8948 8.8948 11.2383 11.2383 11.3301 11.3301 12.8250 12.8250 13.1645 13.1645 13.8240 13.8240 k = 0.4216 0.4216-0.0000 ( 3386 PWs) bands (ev): 2.0532 2.0532 2.0746 2.0746 2.0995 2.0995 2.1388 2.1388 2.1686 2.1686 2.1786 2.1786 2.6936 2.6936 2.7739 2.7739 2.8208 2.8208 2.8488 2.8488 2.9007 2.9007 2.9081 2.9081 3.0098 3.0098 3.0845 3.0845 3.1233 3.1233 5.8291 5.8291 7.3731 7.3731 7.7913 7.7913 9.0277 9.0277 11.2314 11.2314 11.3489 11.3489 12.8236 12.8236 13.1499 13.1499 13.8488 13.8488 k = 0.4118 0.4118-0.0000 ( 3386 PWs) bands (ev): 2.0469 2.0469 2.0666 2.0666 2.1002 2.1002 2.1364 2.1364 2.1680 2.1680 2.1793 2.1793 2.6831 2.6831 2.7682 2.7682 2.8221 2.8221 2.8524 2.8524 2.9018 2.9018 2.9123 2.9123 3.0199 3.0199 3.0881 3.0881 3.1315 3.1315 5.7464 5.7464 7.3648 7.3648 7.8065 7.8065 9.1609 9.1609 11.2239 11.2239 11.3703 11.3703 12.8219 12.8219 13.1338 13.1338 13.8776 13.8776 k = 0.4020 0.4020-0.0000 ( 3386 PWs) bands (ev): 2.0399 2.0399 2.0579 2.0579 2.1007 2.1007 2.1340 2.1340 2.1665 2.1665 2.1801 2.1801 2.6738 2.6738 2.7621 2.7621 2.8232 2.8232 2.8560 2.8560 2.9037 2.9037 2.9161 2.9161 3.0289 3.0289 3.0933 3.0933 3.1406 3.1406 5.6568 5.6568 7.3678 7.3678 7.8237 7.8237 9.2934 9.2934 11.2158 11.2158 11.3940 11.3940 12.8199 12.8199 13.1163 13.1163 13.9106 13.9106 k = 0.3922 0.3922-0.0000 ( 3384 PWs) bands (ev): 2.0323 2.0323 2.0488 2.0488 2.1000 2.1000 2.1318 2.1318 2.1640 2.1640 2.1808 2.1808 2.6659 2.6659 2.7558 2.7558 2.8243 2.8243 2.8594 2.8594 2.9065 2.9065 2.9195 2.9195 3.0369 3.0369 3.1003 3.1003 3.1507 3.1507 5.5616 5.5616 7.3810 7.3810 7.8428 7.8428 9.4246 9.4246 11.2073 11.2073 11.4201 11.4201 12.8175 12.8175 13.0979 13.0979 13.9477 13.9477 k = 0.3824 0.3824-0.0000 ( 3380 PWs) bands (ev): 2.0241 2.0241 2.0395 2.0395 2.0978 2.0978 2.1301 2.1301 2.1606 2.1606 2.1814 2.1814 2.6595 2.6595 2.7496 2.7496 2.8253 2.8253 2.8622 2.8622 2.9102 2.9102 2.9230 2.9230 3.0440 3.0440 3.1088 3.1088 3.1617 3.1617 5.4622 5.4622 7.4035 7.4035 7.8639 7.8639 9.5536 9.5536 11.1987 11.1987 11.4485 11.4485 12.8146 12.8146 13.0789 13.0789 13.9890 13.9890 k = 0.3725 0.3725-0.0000 ( 3382 PWs) bands (ev): 2.0153 2.0153 2.0300 2.0300 2.0939 2.0939 2.1285 2.1285 2.1562 2.1562 2.1817 2.1817 2.6547 2.6547 2.7434 2.7434 2.8260 2.8260 2.8643 2.8643 2.9139 2.9139 2.9271 2.9271 3.0509 3.0509 3.1184 3.1184 3.1734 3.1734 5.3598 5.3598 7.4343 7.4343 7.8870 7.8870 9.6796 9.6796 11.1900 11.1900 11.4790 11.4790 12.8112 12.8112 13.0597 13.0597 14.0345 14.0345 k = 0.3627 0.3627-0.0000 ( 3380 PWs) bands (ev): 2.0060 2.0060 2.0204 2.0204 2.0885 2.0885 2.1270 2.1270 2.1508 2.1508 2.1819 2.1819 2.6515 2.6515 2.7375 2.7375 2.8268 2.8268 2.8657 2.8657 2.9171 2.9171 2.9328 2.9328 3.0578 3.0578 3.1289 3.1289 3.1858 3.1858 5.2555 5.2555 7.4725 7.4725 7.9122 7.9122 9.8021 9.8021 11.1814 11.1814 11.5117 11.5117 12.8071 12.8071 13.0407 13.0407 14.0841 14.0841 k = 0.3529 0.3529-0.0000 ( 3375 PWs) bands (ev): 1.9963 1.9963 2.0106 2.0106 2.0819 2.0819 2.1251 2.1251 2.1445 2.1445 2.1818 2.1818 2.6499 2.6499 2.7320 2.7320 2.8277 2.8277 2.8664 2.8664 2.9196 2.9196 2.9401 2.9401 3.0650 3.0650 3.1399 3.1399 3.1987 3.1987 5.1499 5.1499 7.5175 7.5175 7.9396 7.9396 9.9203 9.9203 11.1731 11.1731 11.5464 11.5464 12.8023 12.8023 13.0225 13.0225 14.1377 14.1377 k = 0.3431 0.3431-0.0000 ( 3373 PWs) bands (ev): 1.9861 1.9861 2.0008 2.0008 2.0742 2.0742 2.1220 2.1220 2.1377 2.1377 2.1812 2.1812 2.6496 2.6496 2.7270 2.7270 2.8288 2.8288 2.8662 2.8662 2.9220 2.9220 2.9485 2.9485 3.0728 3.0728 3.1512 3.1512 3.2119 3.2119 5.0440 5.0440 7.5687 7.5687 7.9692 7.9692 10.0336 10.0336 11.1651 11.1651 11.5830 11.5830 12.7967 12.7967 13.0055 13.0055 14.1951 14.1951 k = 0.3333 0.3333-0.0000 ( 3381 PWs) bands (ev): 1.9756 1.9756 1.9907 1.9907 2.0656 2.0656 2.1171 2.1171 2.1310 2.1310 2.1802 2.1802 2.6502 2.6502 2.7225 2.7225 2.8303 2.8303 2.8653 2.8653 2.9245 2.9245 2.9576 2.9576 3.0813 3.0813 3.1628 3.1628 3.2254 3.2254 4.9383 4.9383 7.6255 7.6255 8.0009 8.0009 10.1414 10.1414 11.1576 11.1576 11.6214 11.6214 12.7901 12.7901 12.9900 12.9900 14.2560 14.2560 k = 0.3235 0.3235-0.0000 ( 3387 PWs) bands (ev): 1.9649 1.9649 1.9806 1.9806 2.0563 2.0563 2.1094 2.1094 2.1253 2.1253 2.1786 2.1786 2.6514 2.6514 2.7190 2.7190 2.8324 2.8324 2.8638 2.8638 2.9275 2.9275 2.9672 2.9672 3.0905 3.0905 3.1744 3.1744 3.2391 3.2391 4.8332 4.8332 7.6875 7.6875 8.0350 8.0350 10.2431 10.2431 11.1508 11.1508 11.6616 11.6616 12.7823 12.7823 12.9765 12.9765 14.3201 14.3201 k = 0.3137 0.3137-0.0000 ( 3383 PWs) bands (ev): 1.9540 1.9540 1.9703 1.9703 2.0464 2.0464 2.0995 2.0995 2.1203 2.1203 2.1765 2.1765 2.6526 2.6526 2.7166 2.7166 2.8352 2.8352 2.8621 2.8621 2.9312 2.9312 2.9772 2.9772 3.1006 3.1006 3.1862 3.1862 3.2529 3.2529 4.7293 4.7293 7.7544 7.7544 8.0714 8.0714 10.3383 10.3383 11.1449 11.1449 11.7035 11.7035 12.7732 12.7732 12.9653 12.9653 14.3870 14.3870 k = 0.3039 0.3039-0.0000 ( 3383 PWs) bands (ev): 1.9430 1.9430 1.9600 1.9600 2.0360 2.0360 2.0879 2.0879 2.1154 2.1154 2.1736 2.1736 2.6534 2.6534 2.7152 2.7152 2.8385 2.8385 2.8609 2.8609 2.9354 2.9354 2.9871 2.9871 3.1114 3.1114 3.1982 3.1982 3.2668 3.2668 4.6268 4.6268 7.8258 7.8258 8.1101 8.1101 10.4267 10.4267 11.1398 11.1398 11.7468 11.7468 12.7627 12.7627 12.9566 12.9566 14.4564 14.4564 k = 0.2941 0.2941-0.0000 ( 3385 PWs) bands (ev): 1.9318 1.9318 1.9495 1.9495 2.0250 2.0250 2.0752 2.0752 2.1103 2.1103 2.1701 2.1701 2.6534 2.6534 2.7148 2.7148 2.8412 2.8412 2.8615 2.8615 2.9402 2.9402 2.9971 2.9971 3.1229 3.1229 3.2101 3.2101 3.2805 3.2805 4.5261 4.5261 7.9014 7.9014 8.1513 8.1513 10.5078 10.5078 11.1357 11.1357 11.7916 11.7916 12.7506 12.7506 12.9506 12.9506 14.5276 14.5276 k = 0.2843 0.2843-0.0000 ( 3389 PWs) bands (ev): 1.9205 1.9205 1.9389 1.9389 2.0134 2.0134 2.0616 2.0616 2.1048 2.1048 2.1657 2.1657 2.6526 2.6526 2.7150 2.7150 2.8420 2.8420 2.8657 2.8657 2.9455 2.9455 3.0070 3.0070 3.1351 3.1351 3.2221 3.2221 3.2942 3.2942 4.4273 4.4273 7.9810 7.9810 8.1950 8.1950 10.5816 10.5816 11.1328 11.1328 11.8376 11.8376 12.7367 12.7367 12.9472 12.9472 14.6001 14.6001 k = 0.2745 0.2745-0.0000 ( 3387 PWs) bands (ev): 1.9092 1.9092 1.9284 1.9284 2.0015 2.0015 2.0476 2.0476 2.0990 2.0990 2.1608 2.1608 2.6511 2.6511 2.7154 2.7154 2.8409 2.8409 2.8738 2.8738 2.9512 2.9512 3.0169 3.0169 3.1478 3.1478 3.2342 3.2342 3.3077 3.3077 4.3308 4.3308 8.0643 8.0643 8.2411 8.2411 10.6481 10.6481 11.1311 11.1311 11.8848 11.8848 12.7207 12.7207 12.9465 12.9465 14.6735 14.6735 k = 0.2647 0.2647-0.0000 ( 3393 PWs) bands (ev): 1.8977 1.8977 1.9178 1.9178 1.9892 1.9892 2.0331 2.0331 2.0929 2.0929 2.1549 2.1549 2.6492 2.6492 2.7155 2.7155 2.8388 2.8388 2.8847 2.8847 2.9571 2.9571 3.0267 3.0267 3.1609 3.1609 3.2463 3.2463 3.3211 3.3211 4.2367 4.2367 8.1510 8.1510 8.2899 8.2899 10.7072 10.7072 11.1307 11.1307 11.9330 11.9330 12.7025 12.7025 12.9484 12.9484 14.7469 14.7469 k = 0.2549 0.2549-0.0000 ( 3389 PWs) bands (ev): 1.8862 1.8862 1.9074 1.9074 1.9767 1.9767 2.0185 2.0185 2.0864 2.0864 2.1485 2.1485 2.6472 2.6472 2.7152 2.7152 2.8366 2.8366 2.8975 2.8975 2.9634 2.9634 3.0366 3.0366 3.1744 3.1744 3.2586 3.2586 3.3343 3.3343 4.1452 4.1452 8.2410 8.2410 8.3413 8.3413 10.7594 10.7594 11.1317 11.1317 11.9820 11.9820 12.6817 12.6817 12.9524 12.9524 14.8191 14.8191 k = 0.2451 0.2451-0.0000 ( 3385 PWs) bands (ev): 1.8747 1.8747 1.8970 1.8970 1.9639 1.9639 2.0038 2.0038 2.0797 2.0797 2.1414 2.1414 2.6452 2.6452 2.7142 2.7142 2.8346 2.8346 2.9117 2.9117 2.9699 2.9699 3.0467 3.0467 3.1881 3.1881 3.2710 3.2710 3.3473 3.3473 4.0564 4.0564 8.3338 8.3338 8.3955 8.3955 10.8049 10.8049 11.1341 11.1341 12.0317 12.0317 12.6581 12.6581 12.9584 12.9584 14.8757 14.8757 k = 0.2353 0.2353-0.0000 ( 3385 PWs) bands (ev): 1.8632 1.8632 1.8868 1.8868 1.9508 1.9508 1.9891 1.9891 2.0728 2.0728 2.1337 2.1337 2.6433 2.6433 2.7125 2.7125 2.8328 2.8328 2.9267 2.9267 2.9766 2.9766 3.0570 3.0570 3.2016 3.2016 3.2836 3.2836 3.3600 3.3600 3.9705 3.9705 8.4279 8.4279 8.4537 8.4537 10.8441 10.8441 11.1381 11.1381 12.0819 12.0819 12.6314 12.6314 12.9660 12.9660 14.7954 14.7954 k = 0.2255 0.2255-0.0000 ( 3385 PWs) bands (ev): 1.8515 1.8515 1.8767 1.8767 1.9376 1.9376 1.9747 1.9747 2.0657 2.0657 2.1254 2.1254 2.6415 2.6415 2.7101 2.7101 2.8313 2.8313 2.9418 2.9418 2.9834 2.9834 3.0676 3.0676 3.2150 3.2150 3.2963 3.2963 3.3725 3.3725 3.8876 3.8876 8.5068 8.5068 8.5324 8.5324 10.8777 10.8777 11.1436 11.1436 12.1323 12.1323 12.6015 12.6015 12.9745 12.9745 14.6818 14.6818 k = 0.2157 0.2157-0.0000 ( 3387 PWs) bands (ev): 1.8400 1.8400 1.8668 1.8668 1.9242 1.9242 1.9604 1.9604 2.0585 2.0585 2.1167 2.1167 2.6401 2.6401 2.7072 2.7072 2.8302 2.8302 2.9566 2.9566 2.9905 2.9905 3.0788 3.0788 3.2281 3.2281 3.3093 3.3093 3.3846 3.3846 3.8078 3.8078 8.5703 8.5703 8.6313 8.6313 10.9062 10.9062 11.1507 11.1507 12.1827 12.1827 12.5680 12.5680 12.9837 12.9837 14.5676 14.5676 k = 0.2059 0.2059-0.0000 ( 3383 PWs) bands (ev): 1.8285 1.8285 1.8572 1.8572 1.9108 1.9108 1.9465 1.9465 2.0513 2.0513 2.1077 2.1077 2.6389 2.6389 2.7038 2.7038 2.8294 2.8294 2.9706 2.9706 2.9979 2.9979 3.0908 3.0908 3.2409 3.2409 3.3225 3.3225 3.3966 3.3966 3.7312 3.7312 8.6350 8.6350 8.7337 8.7337 10.9302 10.9302 11.1593 11.1593 12.2326 12.2326 12.5312 12.5312 12.9930 12.9930 14.4544 14.4544 k = 0.1961 0.1961-0.0000 ( 3379 PWs) bands (ev): 1.8170 1.8170 1.8478 1.8478 1.8975 1.8975 1.9329 1.9329 2.0441 2.0441 2.0984 2.0984 2.6381 2.6381 2.7001 2.7001 2.8289 2.8289 2.9834 2.9834 3.0055 3.0055 3.1034 3.1034 3.2530 3.2530 3.3359 3.3359 3.4082 3.4082 3.6581 3.6581 8.7020 8.7020 8.8380 8.8380 10.9504 10.9504 11.1695 11.1695 12.2809 12.2809 12.4915 12.4915 13.0018 13.0018 14.3428 14.3428 k = 0.1863 0.1863-0.0000 ( 3387 PWs) bands (ev): 1.8057 1.8057 1.8387 1.8387 1.8844 1.8844 1.9197 1.9197 2.0368 2.0368 2.0888 2.0888 2.6373 2.6373 2.6960 2.6960 2.8286 2.8286 2.9944 2.9944 3.0133 3.0133 3.1167 3.1167 3.2646 3.2646 3.3493 3.3493 3.4194 3.4194 3.5886 3.5886 8.7714 8.7714 8.9437 8.9437 10.9673 10.9673 11.1813 11.1813 12.3243 12.3243 12.4520 12.4520 13.0097 13.0097 14.2331 14.2331 k = 0.1765 0.1765-0.0000 ( 3387 PWs) bands (ev): 1.7944 1.7944 1.8299 1.8299 1.8715 1.8715 1.9070 1.9070 2.0296 2.0296 2.0793 2.0793 2.6369 2.6369 2.6918 2.6918 2.8286 2.8286 3.0039 3.0039 3.0214 3.0214 3.1306 3.1306 3.2755 3.2755 3.3623 3.3623 3.4304 3.4304 3.5232 3.5232 8.8434 8.8434 9.0504 9.0504 10.9815 10.9815 11.1947 11.1947 12.3444 12.3444 12.4307 12.4307 13.0164 13.0164 14.1257 14.1257 k = 0.1667 0.1667-0.0000 ( 3371 PWs) bands (ev): 1.7835 1.7835 1.8215 1.8215 1.8592 1.8592 1.8948 1.8948 2.0226 2.0226 2.0699 2.0699 2.6368 2.6368 2.6877 2.6877 2.8289 2.8289 3.0122 3.0122 3.0294 3.0294 3.1449 3.1449 3.2858 3.2858 3.3737 3.3737 3.4411 3.4411 3.4632 3.4632 8.9177 8.9177 9.1577 9.1577 10.9935 10.9935 11.2096 11.2096 12.3134 12.3134 12.4552 12.4552 13.0214 13.0214 14.0209 14.0209 k = 0.1569 0.1569-0.0000 ( 3385 PWs) bands (ev): 1.7726 1.7726 1.8133 1.8133 1.8471 1.8471 1.8830 1.8830 2.0155 2.0155 2.0604 2.0604 2.6367 2.6367 2.6833 2.6833 2.8291 2.8291 3.0191 3.0191 3.0367 3.0367 3.1589 3.1589 3.2954 3.2954 3.3734 3.3734 3.4189 3.4189 3.4513 3.4513 8.9944 8.9944 9.2651 9.2651 11.0039 11.0039 11.2260 11.2260 12.2592 12.2592 12.4973 12.4973 13.0243 13.0243 13.9188 13.9188 k = 0.1471 0.1471-0.0000 ( 3385 PWs) bands (ev): 1.7620 1.7620 1.8055 1.8055 1.8356 1.8356 1.8716 1.8716 2.0088 2.0088 2.0513 2.0513 2.6368 2.6368 2.6791 2.6791 2.8296 2.8296 3.0254 3.0254 3.0434 3.0434 3.1722 3.1722 3.3041 3.3041 3.3366 3.3366 3.4154 3.4154 3.4613 3.4613 9.0733 9.0733 9.3720 9.3720 11.0130 11.0130 11.2438 11.2438 12.1967 12.1967 12.5420 12.5420 13.0250 13.0250 13.8197 13.8197 k = 0.1373 0.1373-0.0000 ( 3381 PWs) bands (ev): 1.7517 1.7517 1.7981 1.7981 1.8248 1.8248 1.8608 1.8608 2.0022 2.0022 2.0425 2.0425 2.6371 2.6371 2.6749 2.6749 2.8302 2.8302 3.0312 3.0312 3.0494 3.0494 3.1832 3.1832 3.2905 3.2905 3.3132 3.3132 3.4261 3.4261 3.4707 3.4707 9.1542 9.1542 9.4778 9.4778 11.0213 11.0213 11.2629 11.2629 12.1287 12.1287 12.5864 12.5864 13.0233 13.0233 13.7240 13.7240 k = 0.1275 0.1275-0.0000 ( 3373 PWs) bands (ev): 1.7418 1.7418 1.7911 1.7911 1.8147 1.8147 1.8506 1.8506 1.9960 1.9960 2.0341 2.0341 2.6374 2.6374 2.6710 2.6710 2.8309 2.8309 3.0363 3.0363 3.0546 3.0546 3.1868 3.1868 3.2540 3.2540 3.3208 3.3208 3.4386 3.4386 3.4799 3.4799 9.2371 9.2371 9.5818 9.5818 11.0293 11.0293 11.2832 11.2832 12.0561 12.0561 12.6297 12.6297 13.0189 13.0189 13.6318 13.6318 k = 0.1176 0.1176-0.0000 ( 3375 PWs) bands (ev): 1.7323 1.7323 1.7844 1.7844 1.8052 1.8052 1.8409 1.8409 1.9900 1.9900 2.0262 2.0262 2.6377 2.6377 2.6672 2.6672 2.8316 2.8316 3.0407 3.0407 3.0589 3.0589 3.1708 3.1708 3.2398 3.2398 3.3279 3.3279 3.4511 3.4511 3.4884 3.4884 9.3216 9.3216 9.6833 9.6833 11.0372 11.0372 11.3045 11.3045 11.9797 11.9797 12.6711 12.6711 13.0119 13.0119 13.5435 13.5435 k = 0.1078 0.1078-0.0000 ( 3371 PWs) bands (ev): 1.7233 1.7233 1.7781 1.7781 1.7965 1.7965 1.8320 1.8320 1.9843 1.9843 2.0188 2.0188 2.6380 2.6380 2.6636 2.6636 2.8323 2.8323 3.0437 3.0437 3.0621 3.0621 3.1409 3.1409 3.2435 3.2435 3.3346 3.3346 3.4634 3.4634 3.4965 3.4965 9.4076 9.4076 9.7814 9.7814 11.0454 11.0454 11.3265 11.3265 11.8999 11.8999 12.7105 12.7105 13.0023 13.0023 13.4595 13.4595 k = 0.0980 0.0980-0.0000 ( 3371 PWs) bands (ev): 1.7148 1.7148 1.7721 1.7721 1.7885 1.7885 1.8236 1.8236 1.9790 1.9790 2.0120 2.0120 2.6383 2.6383 2.6602 2.6602 2.8329 2.8329 3.0437 3.0437 3.0638 3.0638 3.1125 3.1125 3.2519 3.2519 3.3408 3.3408 3.4750 3.4750 3.5041 3.5041 9.4945 9.4945 9.8752 9.8752 11.0543 11.0543 11.3490 11.3490 11.8176 11.8176 12.7474 12.7474 12.9903 12.9903 13.3802 13.3802 k = 0.0882 0.0882-0.0000 ( 3383 PWs) bands (ev): 1.7069 1.7069 1.7666 1.7666 1.7814 1.7814 1.8159 1.8159 1.9740 1.9740 2.0056 2.0056 2.6384 2.6384 2.6571 2.6571 2.8336 2.8336 3.0357 3.0357 3.0643 3.0643 3.0942 3.0942 3.2608 3.2608 3.3462 3.3462 3.4859 3.4859 3.5110 3.5110 9.5819 9.5819 9.9636 9.9636 11.0641 11.0641 11.3716 11.3716 11.7334 11.7334 12.7815 12.7815 12.9761 12.9761 13.3059 13.3059 k = 0.0784 0.0784-0.0000 ( 3383 PWs) bands (ev): 1.6997 1.6997 1.7615 1.7615 1.7752 1.7752 1.8089 1.8089 1.9694 1.9694 2.0000 2.0000 2.6385 2.6385 2.6544 2.6544 2.8342 2.8342 3.0177 3.0177 3.0654 3.0654 3.0876 3.0876 3.2693 3.2693 3.3513 3.3513 3.4959 3.4959 3.5174 3.5174 9.6692 9.6692 10.0456 10.0456 11.0749 11.0749 11.3937 11.3937 11.6484 11.6484 12.8123 12.8123 12.9604 12.9604 13.2371 13.2371 k = 0.0686 0.0686-0.0000 ( 3373 PWs) bands (ev): 1.6933 1.6933 1.7569 1.7569 1.7698 1.7698 1.8028 1.8028 1.9654 1.9654 1.9950 1.9950 2.6386 2.6386 2.6520 2.6520 2.8347 2.8347 2.9960 2.9960 3.0673 3.0673 3.0865 3.0865 3.2771 3.2771 3.3559 3.3559 3.5051 3.5051 3.5233 3.5233 9.7556 9.7556 10.1202 10.1202 11.0867 11.0867 11.4143 11.4143 11.5645 11.5645 12.8392 12.8392 12.9441 12.9441 13.1746 13.1746 k = 0.0588 0.0588-0.0000 ( 3373 PWs) bands (ev): 1.6876 1.6876 1.7527 1.7527 1.7652 1.7652 1.7974 1.7974 1.9618 1.9618 1.9907 1.9907 2.6385 2.6385 2.6500 2.6500 2.8352 2.8352 2.9752 2.9752 3.0694 3.0694 3.0871 3.0871 3.2839 3.2839 3.3599 3.3599 3.5132 3.5132 3.5284 3.5284 9.8398 9.8398 10.1863 10.1863 11.0994 11.0994 11.4282 11.4282 11.4877 11.4877 12.8610 12.8610 12.9287 12.9287 13.1188 13.1188 k = 0.0490 0.0490-0.0000 ( 3373 PWs) bands (ev): 1.6826 1.6826 1.7490 1.7490 1.7613 1.7613 1.7929 1.7929 1.9586 1.9586 1.9870 1.9870 2.6383 2.6383 2.6483 2.6483 2.8355 2.8355 2.9569 2.9569 3.0714 3.0714 3.0880 3.0880 3.2897 3.2897 3.3634 3.3634 3.5202 3.5202 3.5328 3.5328 9.9202 9.9202 10.2431 10.2431 11.1123 11.1123 11.3892 11.3892 11.4655 11.4655 12.8738 12.8738 12.9184 12.9184 13.0707 13.0707 k = 0.0392 0.0392-0.0000 ( 3369 PWs) bands (ev): 1.6786 1.6786 1.7460 1.7460 1.7581 1.7581 1.7891 1.7891 1.9561 1.9561 1.9840 1.9840 2.6381 2.6381 2.6470 2.6470 2.8358 2.8358 2.9417 2.9417 3.0730 3.0730 3.0890 3.0890 3.2944 3.2944 3.3663 3.3663 3.5260 3.5260 3.5365 3.5365 9.9946 9.9946 10.2899 10.2899 11.1246 11.1246 11.3191 11.3191 11.4781 11.4781 12.8724 12.8724 12.9191 12.9191 13.0313 13.0313 k = 0.0294 0.0294-0.0000 ( 3363 PWs) bands (ev): 1.6754 1.6754 1.7436 1.7436 1.7558 1.7558 1.7861 1.7861 1.9540 1.9540 1.9817 1.9817 2.6378 2.6378 2.6462 2.6462 2.8360 2.8360 2.9298 2.9298 3.0744 3.0744 3.0899 3.0899 3.2981 3.2981 3.3686 3.3686 3.5306 3.5306 3.5395 3.5395 10.0599 10.0599 10.3265 10.3265 11.1349 11.1349 11.2557 11.2557 11.4909 11.4909 12.8630 12.8630 12.9247 12.9247 13.0018 13.0018 k = 0.0196 0.0196-0.0000 ( 3365 PWs) bands (ev): 1.6731 1.6731 1.7418 1.7418 1.7541 1.7541 1.7840 1.7840 1.9525 1.9525 1.9800 1.9800 2.6375 2.6375 2.6455 2.6455 2.8361 2.8361 2.9213 2.9213 3.0754 3.0754 3.0906 3.0906 3.3007 3.3007 3.3702 3.3702 3.5338 3.5338 3.5415 3.5415 10.1118 10.1118 10.3527 10.3527 11.1407 11.1407 11.2073 11.2073 11.5009 11.5009 12.8535 12.8535 12.9273 12.9273 12.9836 12.9836 k = 0.0098 0.0098-0.0000 ( 3367 PWs) bands (ev): 1.6717 1.6717 1.7408 1.7408 1.7530 1.7530 1.7827 1.7827 1.9516 1.9516 1.9790 1.9790 2.6372 2.6372 2.6452 2.6452 2.8362 2.8362 2.9162 2.9162 3.0760 3.0760 3.0910 3.0910 3.3022 3.3022 3.3711 3.3711 3.5357 3.5357 3.5428 3.5428 10.1458 10.1458 10.3683 10.3683 11.1382 11.1382 11.1817 11.1817 11.5072 11.5072 12.8470 12.8470 12.9260 12.9260 12.9759 12.9759 k = 0.0000 0.0000 0.0000 ( 3367 PWs) bands (ev): 1.6712 1.6712 1.7404 1.7404 1.7527 1.7527 1.7823 1.7823 1.9513 1.9513 1.9787 1.9787 2.6372 2.6372 2.6450 2.6450 2.8362 2.8362 2.9145 2.9145 3.0762 3.0762 3.0911 3.0911 3.3027 3.3027 3.3715 3.3715 3.5363 3.5363 3.5433 3.5433 10.1577 10.1577 10.3735 10.3735 11.1340 11.1340 11.1761 11.1761 11.5093 11.5093 12.8447 12.8447 12.9248 12.9248 12.9741 12.9741 k = 0.0000 0.0000 0.0000 ( 3367 PWs) bands (ev): 1.6712 1.6712 1.7404 1.7404 1.7527 1.7527 1.7823 1.7823 1.9513 1.9513 1.9787 1.9787 2.6372 2.6372 2.6450 2.6450 2.8362 2.8362 2.9145 2.9145 3.0762 3.0762 3.0911 3.0911 3.3027 3.3027 3.3715 3.3715 3.5363 3.5363 3.5433 3.5433 10.1577 10.1577 10.3735 10.3735 11.1340 11.1340 11.1761 11.1761 11.5093 11.5093 12.8447 12.8447 12.9248 12.9248 12.9741 12.9741 k = 0.0000 0.0000 0.0139 ( 3367 PWs) bands (ev): 1.6717 1.6717 1.7408 1.7408 1.7531 1.7531 1.7825 1.7825 1.9517 1.9517 1.9789 1.9789 2.6373 2.6373 2.6451 2.6451 2.8361 2.8361 2.9162 2.9162 3.0761 3.0761 3.0909 3.0909 3.3022 3.3022 3.3712 3.3712 3.5360 3.5360 3.5425 3.5425 10.1582 10.1582 10.3603 10.3603 11.1327 11.1327 11.1753 11.1753 11.5154 11.5154 12.8447 12.8447 12.9265 12.9265 12.9760 12.9760 k = 0.0000 0.0000 0.0277 ( 3363 PWs) bands (ev): 1.6732 1.6732 1.7421 1.7421 1.7544 1.7544 1.7834 1.7834 1.9528 1.9528 1.9798 1.9798 2.6376 2.6376 2.6454 2.6454 2.8361 2.8361 2.9212 2.9212 3.0759 3.0759 3.0901 3.0901 3.3007 3.3007 3.3703 3.3703 3.5350 3.5350 3.5403 3.5403 10.1598 10.1598 10.3218 10.3218 11.1288 11.1288 11.1726 11.1726 11.5331 11.5331 12.8446 12.8446 12.9316 12.9316 12.9819 12.9819 k = 0.0000 0.0000 0.0416 ( 3363 PWs) bands (ev): 1.6758 1.6758 1.7442 1.7442 1.7565 1.7565 1.7847 1.7847 1.9546 1.9546 1.9812 1.9812 2.6380 2.6380 2.6459 2.6459 2.8359 2.8359 2.9296 2.9296 3.0756 3.0756 3.0888 3.0888 3.2982 3.2982 3.3688 3.3688 3.5333 3.5333 3.5363 3.5363 10.1624 10.1624 10.2604 10.2604 11.1223 11.1223 11.1680 11.1680 11.5604 11.5604 12.8445 12.8445 12.9401 12.9401 12.9916 12.9916 k = 0.0000 0.0000 0.0554 ( 3355 PWs) bands (ev): 1.6792 1.6792 1.7472 1.7472 1.7596 1.7596 1.7866 1.7866 1.9571 1.9571 1.9831 1.9831 2.6388 2.6388 2.6466 2.6466 2.8359 2.8359 2.9412 2.9412 3.0751 3.0751 3.0875 3.0875 3.2947 3.2947 3.3667 3.3667 3.5310 3.5310 3.5311 3.5311 10.1660 10.1660 10.1797 10.1797 11.1132 11.1132 11.1611 11.1611 11.5949 11.5949 12.8443 12.8443 12.9522 12.9522 13.0054 13.0054 k = 0.0000 0.0000 0.0693 ( 3351 PWs) bands (ev): 1.6837 1.6837 1.7509 1.7509 1.7634 1.7634 1.7890 1.7890 1.9602 1.9602 1.9856 1.9856 2.6396 2.6396 2.6474 2.6474 2.8357 2.8357 2.9558 2.9558 3.0745 3.0745 3.0860 3.0860 3.2900 3.2900 3.3641 3.3641 3.5240 3.5240 3.5283 3.5283 10.0828 10.0828 10.1706 10.1706 11.1017 11.1017 11.1520 11.1520 11.6342 11.6342 12.8439 12.8439 12.9677 12.9677 13.0233 13.0233 k = 0.0000 0.0000 0.0831 ( 3355 PWs) bands (ev): 1.6892 1.6892 1.7554 1.7554 1.7681 1.7681 1.7918 1.7918 1.9640 1.9640 1.9886 1.9886 2.6406 2.6406 2.6483 2.6483 2.8353 2.8353 2.9730 2.9730 3.0737 3.0737 3.0845 3.0845 3.2843 3.2843 3.3608 3.3608 3.5156 3.5156 3.5251 3.5251 9.9727 9.9727 10.1763 10.1763 11.0878 11.0878 11.1406 11.1406 11.6765 11.6765 12.8432 12.8432 12.9869 12.9869 13.0454 13.0454 k = 0.0000 0.0000 0.0970 ( 3347 PWs) bands (ev): 1.6956 1.6956 1.7608 1.7608 1.7736 1.7736 1.7953 1.7953 1.9685 1.9685 1.9920 1.9920 2.6419 2.6419 2.6494 2.6494 2.8350 2.8350 2.9919 2.9919 3.0727 3.0727 3.0840 3.0840 3.2776 3.2776 3.3570 3.3570 3.5060 3.5060 3.5216 3.5216 9.8518 9.8518 10.1830 10.1830 11.0716 11.0716 11.1269 11.1269 11.7206 11.7206 12.8422 12.8422 13.0098 13.0098 13.0718 13.0718 k = 0.0000 0.0000 0.1108 ( 3347 PWs) bands (ev): 1.7029 1.7029 1.7668 1.7668 1.7799 1.7799 1.7993 1.7993 1.9736 1.9736 1.9959 1.9959 2.6434 2.6434 2.6505 2.6505 2.8347 2.8347 3.0104 3.0104 3.0715 3.0715 3.0867 3.0867 3.2698 3.2698 3.3526 3.3526 3.4949 3.4949 3.5179 3.5179 9.7219 9.7219 10.1907 10.1907 11.0533 11.0533 11.1111 11.1111 11.7656 11.7656 12.8410 12.8410 13.0364 13.0364 13.1024 13.1024 k = 0.0000 0.0000 0.1247 ( 3347 PWs) bands (ev): 1.7112 1.7112 1.7734 1.7734 1.7870 1.7870 1.8039 1.8039 1.9792 1.9792 2.0002 2.0002 2.6450 2.6450 2.6518 2.6518 2.8343 2.8343 3.0244 3.0244 3.0701 3.0701 3.0966 3.0966 3.2610 3.2610 3.3476 3.3476 3.4827 3.4827 3.5139 3.5139 9.5848 9.5848 10.1993 10.1993 11.0330 11.0330 11.0933 11.0933 11.8111 11.8111 12.8395 12.8395 13.0668 13.0668 13.1373 13.1373 k = 0.0000 0.0000 0.1385 ( 3355 PWs) bands (ev): 1.7203 1.7203 1.7805 1.7805 1.7948 1.7948 1.8091 1.8091 1.9854 1.9854 2.0048 2.0048 2.6468 2.6468 2.6530 2.6530 2.8337 2.8337 3.0304 3.0304 3.0684 3.0684 3.1167 3.1167 3.2515 3.2515 3.3422 3.3422 3.4693 3.4693 3.5099 3.5099 9.4418 9.4418 10.2090 10.2090 11.0108 11.0108 11.0735 11.0735 11.8569 11.8569 12.8377 12.8377 13.1010 13.1010 13.1765 13.1765 k = 0.0000 0.0000 0.1524 ( 3355 PWs) bands (ev): 1.7302 1.7302 1.7881 1.7881 1.8035 1.8035 1.8150 1.8150 1.9921 1.9921 2.0099 2.0099 2.6488 2.6488 2.6543 2.6543 2.8333 2.8333 3.0301 3.0301 3.0665 3.0665 3.1447 3.1447 3.2423 3.2423 3.3362 3.3362 3.4549 3.4549 3.5060 3.5060 9.2939 9.2939 10.2195 10.2195 10.9870 10.9870 11.0521 11.0521 11.9028 11.9028 12.8358 12.8358 13.1392 13.1392 13.2198 13.2198 k = 0.0000 0.0000 0.1662 ( 3354 PWs) bands (ev): 1.7409 1.7409 1.7960 1.7960 1.8128 1.8128 1.8217 1.8217 1.9992 1.9992 2.0154 2.0154 2.6511 2.6511 2.6556 2.6556 2.8328 2.8328 3.0261 3.0261 3.0644 3.0644 3.1736 3.1736 3.2375 3.2375 3.3296 3.3296 3.4396 3.4396 3.5023 3.5023 9.1421 9.1421 10.2311 10.2311 10.9618 10.9618 11.0291 11.0291 11.9490 11.9490 12.8337 12.8337 13.1812 13.1812 13.2674 13.2674 k = 0.0000 0.0000 0.1801 ( 3350 PWs) bands (ev): 1.7524 1.7524 1.8039 1.8039 1.8230 1.8230 1.8294 1.8294 2.0067 2.0067 2.0211 2.0211 2.6536 2.6536 2.6570 2.6570 2.8323 2.8323 3.0202 3.0202 3.0618 3.0618 3.1875 3.1875 3.2513 3.2513 3.3226 3.3226 3.4236 3.4236 3.4990 3.4990 8.9872 8.9872 10.2434 10.2434 10.9353 10.9353 11.0047 11.0047 11.9953 11.9953 12.8313 12.8313 13.2271 13.2271 13.3190 13.3190 k = 0.0000 0.0000 0.1939 ( 3342 PWs) bands (ev): 1.7644 1.7644 1.8118 1.8118 1.8339 1.8339 1.8382 1.8382 2.0145 2.0145 2.0273 2.0273 2.6564 2.6564 2.6582 2.6582 2.8320 2.8320 3.0131 3.0131 3.0589 3.0589 3.1812 3.1812 3.2881 3.2881 3.3151 3.3151 3.4071 3.4071 3.4962 3.4962 8.8300 8.8300 10.2567 10.2567 10.9079 10.9079 10.9792 10.9792 12.0420 12.0420 12.8289 12.8289 13.2768 13.2768 13.3745 13.3745 k = 0.0000 0.0000 0.2078 ( 3350 PWs) bands (ev): 1.7771 1.7771 1.8194 1.8194 1.8453 1.8453 1.8480 1.8480 2.0226 2.0226 2.0335 2.0335 2.6592 2.6592 2.6594 2.6594 2.8314 2.8314 3.0050 3.0050 3.0555 3.0555 3.1676 3.1676 3.3069 3.3069 3.3344 3.3344 3.3901 3.3901 3.4943 3.4943 8.6709 8.6709 10.2708 10.2708 10.8796 10.8796 10.9527 10.9527 12.0890 12.0890 12.8263 12.8263 13.3303 13.3303 13.4340 13.4340 k = 0.0000 0.0000 0.2216 ( 3370 PWs) bands (ev): 1.7902 1.7902 1.8266 1.8266 1.8574 1.8574 1.8588 1.8588 2.0308 2.0308 2.0399 2.0399 2.6599 2.6599 2.6626 2.6626 2.8308 2.8308 2.9963 2.9963 3.0515 3.0515 3.1510 3.1510 3.2981 3.2981 3.3727 3.3727 3.3842 3.3842 3.4947 3.4947 8.5107 8.5107 10.2855 10.2855 10.8508 10.8508 10.9255 10.9255 12.1364 12.1364 12.8236 12.8236 13.3874 13.3874 13.4972 13.4972 k = 0.0000 0.0000 0.2355 ( 3362 PWs) bands (ev): 1.8039 1.8039 1.8338 1.8338 1.8703 1.8703 1.8708 1.8708 2.0392 2.0392 2.0465 2.0465 2.6605 2.6605 2.6662 2.6662 2.8302 2.8302 2.9872 2.9872 3.0471 3.0471 3.1331 3.1331 3.2890 3.2890 3.3557 3.3557 3.4310 3.4310 3.5028 3.5028 8.3496 8.3496 10.3011 10.3011 10.8217 10.8217 10.8979 10.8979 12.1843 12.1843 12.8209 12.8209 13.4480 13.4480 13.5640 13.5640 k = 0.0000 0.0000 0.2493 ( 3370 PWs) bands (ev): 1.8178 1.8178 1.8409 1.8409 1.8834 1.8834 1.8837 1.8837 2.0475 2.0475 2.0532 2.0532 2.6607 2.6607 2.6700 2.6700 2.8296 2.8296 2.9777 2.9777 3.0420 3.0420 3.1140 3.1140 3.2790 3.2790 3.3390 3.3390 3.4583 3.4583 3.5347 3.5347 8.1882 8.1882 10.3172 10.3172 10.7925 10.7925 10.8699 10.8699 12.2325 12.2325 12.8181 12.8181 13.5119 13.5119 13.6343 13.6343 k = 0.0000 0.0000 0.2632 ( 3382 PWs) bands (ev): 1.8320 1.8320 1.8479 1.8479 1.8966 1.8966 1.8976 1.8976 2.0558 2.0558 2.0601 2.0601 2.6605 2.6605 2.6742 2.6742 2.8288 2.8288 2.9680 2.9680 3.0362 3.0362 3.0941 3.0941 3.2681 3.2681 3.3233 3.3233 3.4654 3.4654 3.5907 3.5907 8.0268 8.0268 10.3338 10.3338 10.7635 10.7635 10.8419 10.8419 12.2812 12.2812 12.8152 12.8152 13.5790 13.5790 13.7078 13.7078 k = 0.0000 0.0000 0.2771 ( 3402 PWs) bands (ev): 1.8460 1.8460 1.8548 1.8548 1.9104 1.9104 1.9120 1.9120 2.0638 2.0638 2.0670 2.0670 2.6598 2.6598 2.6785 2.6785 2.8281 2.8281 2.9582 2.9582 3.0297 3.0297 3.0736 3.0736 3.2562 3.2562 3.3087 3.3087 3.4662 3.4662 3.6566 3.6566 7.8658 7.8658 10.3509 10.3509 10.7349 10.7349 10.8141 10.8141 12.3301 12.3301 12.8124 12.8124 13.6490 13.6490 13.7843 13.7843 k = 0.0000 0.0000 0.2909 ( 3402 PWs) bands (ev): 1.8604 1.8604 1.8617 1.8617 1.9247 1.9247 1.9271 1.9271 2.0717 2.0717 2.0740 2.0740 2.6587 2.6587 2.6834 2.6834 2.8272 2.8272 2.9484 2.9484 3.0224 3.0224 3.0529 3.0529 3.2434 3.2434 3.2956 3.2956 3.4657 3.4657 3.7279 3.7279 7.7054 7.7054 10.3683 10.3683 10.7069 10.7069 10.7867 10.7867 12.3791 12.3791 12.8096 12.8096 13.7217 13.7217 13.8634 13.8634 k = 0.0000 0.0000 0.3048 ( 3398 PWs) bands (ev): 1.8684 1.8684 1.8747 1.8747 1.9394 1.9394 1.9426 1.9426 2.0794 2.0794 2.0812 2.0812 2.6569 2.6569 2.6886 2.6886 2.8264 2.8264 2.9389 2.9389 3.0144 3.0144 3.0320 3.0320 3.2297 3.2297 3.2841 3.2841 3.4648 3.4648 3.8035 3.8035 7.5459 7.5459 10.3858 10.3858 10.6797 10.6797 10.7599 10.7599 12.4282 12.4282 12.8069 12.8069 13.7967 13.7967 13.9447 13.9447 k = 0.0000 0.0000 0.3186 ( 3426 PWs) bands (ev): 1.8751 1.8751 1.8885 1.8885 1.9539 1.9539 1.9582 1.9582 2.0866 2.0866 2.0881 2.0881 2.6542 2.6542 2.6940 2.6940 2.8252 2.8252 2.9295 2.9295 3.0055 3.0055 3.0107 3.0107 3.2152 3.2152 3.2738 3.2738 3.4634 3.4634 3.8829 3.8829 7.3875 7.3875 10.4033 10.4033 10.6536 10.6536 10.7340 10.7340 12.4770 12.4770 12.8041 12.8041 13.8738 13.8738 14.0267 14.0267 k = 0.0000 0.0000 0.3325 ( 3430 PWs) bands (ev): 1.8815 1.8815 1.9022 1.9022 1.9689 1.9689 1.9744 1.9744 2.0934 2.0934 2.0952 2.0952 2.6509 2.6509 2.6999 2.6999 2.8239 2.8239 2.9205 2.9205 2.9899 2.9899 2.9961 2.9961 3.2006 3.2006 3.2650 3.2650 3.4622 3.4622 3.9660 3.9660 7.2305 7.2305 10.4206 10.4206 10.6289 10.6289 10.7090 10.7090 12.5253 12.5253 12.8016 12.8016 13.9525 13.9525 14.1020 14.1020 k = 0.0000 0.0000 0.3463 ( 3438 PWs) bands (ev): 1.8875 1.8875 1.9153 1.9153 1.9839 1.9839 1.9908 1.9908 2.0998 2.0998 2.1021 2.1021 2.6468 2.6468 2.7060 2.7060 2.8225 2.8225 2.9119 2.9119 2.9695 2.9695 2.9862 2.9862 3.1860 3.1860 3.2572 3.2572 3.4612 3.4612 4.0525 4.0525 7.0751 7.0751 10.4372 10.4372 10.6059 10.6059 10.6851 10.6851 12.5729 12.5729 12.7991 12.7991 14.0324 14.0324 14.1004 14.1004 k = 0.0000 0.0000 0.3602 ( 3438 PWs) bands (ev): 1.8935 1.8935 1.9279 1.9279 1.9988 1.9988 2.0073 2.0073 2.1056 2.1056 2.1090 2.1090 2.6420 2.6420 2.7124 2.7124 2.8207 2.8207 2.9040 2.9040 2.9496 2.9496 2.9760 2.9760 3.1717 3.1717 3.2504 3.2504 3.4602 3.4602 4.1424 4.1424 6.9214 6.9214 10.4527 10.4527 10.5851 10.5851 10.6626 10.6626 12.6193 12.6193 12.7967 12.7967 14.0279 14.0279 14.1130 14.1130 k = 0.0000 0.0000 0.3740 ( 3430 PWs) bands (ev): 1.8993 1.8993 1.9397 1.9397 2.0135 2.0135 2.0239 2.0239 2.1109 2.1109 2.1157 2.1157 2.6364 2.6364 2.7191 2.7191 2.8189 2.8189 2.8969 2.8969 2.9306 2.9306 2.9658 2.9658 3.1580 3.1580 3.2446 3.2446 3.4593 3.4593 4.2356 4.2356 6.7697 6.7697 10.4661 10.4661 10.5673 10.5673 10.6416 10.6416 12.6642 12.6642 12.7945 12.7945 13.9531 13.9531 14.1935 14.1935 k = 0.0000 0.0000 0.3879 ( 3438 PWs) bands (ev): 1.9047 1.9047 1.9507 1.9507 2.0277 2.0277 2.0402 2.0402 2.1154 2.1154 2.1219 2.1219 2.6301 2.6301 2.7258 2.7258 2.8166 2.8166 2.8901 2.8901 2.9125 2.9125 2.9558 2.9558 3.1448 3.1448 3.2394 3.2394 3.4585 3.4585 4.3319 4.3319 6.6201 6.6201 10.4759 10.4759 10.5541 10.5541 10.6221 10.6221 12.7071 12.7071 12.7924 12.7924 13.8828 13.8828 14.2733 14.2733 k = 0.0000 0.0000 0.4017 ( 3434 PWs) bands (ev): 1.9098 1.9098 1.9606 1.9606 2.0414 2.0414 2.0562 2.0562 2.1194 2.1194 2.1280 2.1280 2.6232 2.6232 2.7325 2.7325 2.8141 2.8141 2.8845 2.8845 2.8956 2.8956 2.9464 2.9464 3.1323 3.1323 3.2351 3.2351 3.4578 3.4578 4.4314 4.4314 6.4728 6.4728 10.4797 10.4797 10.5479 10.5479 10.6044 10.6044 12.7475 12.7475 12.7906 12.7906 13.8184 13.8184 14.3514 14.3514 k = 0.0000 0.0000 0.4156 ( 3434 PWs) bands (ev): 1.9144 1.9144 1.9696 1.9696 2.0544 2.0544 2.0715 2.0715 2.1225 2.1225 2.1335 2.1335 2.6160 2.6160 2.7389 2.7389 2.8113 2.8113 2.8791 2.8791 2.8805 2.8805 2.9377 2.9377 3.1207 3.1207 3.2314 3.2314 3.4571 3.4571 4.5339 4.5339 6.3280 6.3280 10.4765 10.4765 10.5493 10.5493 10.5885 10.5885 12.7849 12.7849 12.7889 12.7889 13.7605 13.7605 14.4266 14.4266 k = 0.0000 0.0000 0.4294 ( 3426 PWs) bands (ev): 1.9185 1.9185 1.9776 1.9776 2.0666 2.0666 2.0861 2.0861 2.1250 2.1250 2.1385 2.1385 2.6088 2.6088 2.7450 2.7450 2.8083 2.8083 2.8662 2.8662 2.8755 2.8755 2.9300 2.9300 3.1102 3.1102 3.2283 3.2283 3.4567 3.4567 4.6390 4.6390 6.1860 6.1860 10.4692 10.4692 10.5554 10.5554 10.5746 10.5746 12.7874 12.7874 12.8188 12.8188 13.7095 13.7095 14.4976 14.4976 k = 0.0000 0.0000 0.4433 ( 3418 PWs) bands (ev): 1.9221 1.9221 1.9844 1.9844 2.0777 2.0777 2.0995 2.0995 2.1266 2.1266 2.1426 2.1426 2.6017 2.6017 2.7506 2.7506 2.8054 2.8054 2.8541 2.8541 2.8720 2.8720 2.9235 2.9235 3.1008 3.1008 3.2260 3.2260 3.4563 3.4563 4.7466 4.7466 6.0471 6.0471 10.4607 10.4607 10.5626 10.5626 10.5632 10.5632 12.7861 12.7861 12.8487 12.8487 13.6657 13.6657 14.5628 14.5628 k = 0.0000 0.0000 0.4571 ( 3418 PWs) bands (ev): 1.9250 1.9250 1.9899 1.9899 2.0876 2.0876 2.1115 2.1115 2.1274 2.1274 2.1458 2.1458 2.5953 2.5953 2.7553 2.7553 2.8028 2.8028 2.8440 2.8440 2.8693 2.8693 2.9180 2.9180 3.0928 3.0928 3.2239 3.2239 3.4559 3.4559 4.8560 4.8560 5.9121 5.9121 10.4528 10.4528 10.5527 10.5527 10.5707 10.5707 12.7851 12.7851 12.8739 12.8739 13.6295 13.6295 14.6204 14.6204 k = 0.0000 0.0000 0.4710 ( 3410 PWs) bands (ev): 1.9274 1.9274 1.9943 1.9943 2.0961 2.0961 2.1219 2.1219 2.1276 2.1276 2.1480 2.1480 2.5898 2.5898 2.7591 2.7591 2.8007 2.8007 2.8360 2.8360 2.8672 2.8672 2.9139 2.9139 3.0865 3.0865 3.2224 3.2224 3.4557 3.4557 4.9661 4.9661 5.7821 5.7821 10.4462 10.4462 10.5450 10.5450 10.5772 10.5772 12.7842 12.7842 12.8942 12.8942 13.6011 13.6011 14.6682 14.6682 k = 0.0000 0.0000 0.4848 ( 3410 PWs) bands (ev): 1.9291 1.9291 1.9974 1.9974 2.1029 2.1029 2.1269 2.1269 2.1302 2.1302 2.1488 2.1488 2.5856 2.5856 2.7617 2.7617 2.7992 2.7992 2.8302 2.8302 2.8658 2.8658 2.9109 2.9109 3.0817 3.0817 3.2213 3.2213 3.4555 3.4555 5.0735 5.0735 5.6604 5.6604 10.4413 10.4413 10.5394 10.5394 10.5821 10.5821 12.7837 12.7837 12.9089 12.9089 13.5807 13.5807 14.7043 14.7043 k = 0.0000 0.0000 0.4987 ( 3410 PWs) bands (ev): 1.9301 1.9301 1.9993 1.9993 2.1076 2.1076 2.1260 2.1260 2.1362 2.1362 2.1485 2.1485 2.5829 2.5829 2.7632 2.7632 2.7983 2.7983 2.8266 2.8266 2.8649 2.8649 2.9092 2.9092 3.0788 3.0788 3.2206 3.2206 3.4554 3.4554 5.1682 5.1682 5.5572 5.5572 10.4384 10.4384 10.5361 10.5361 10.5851 10.5851 12.7833 12.7833 12.9179 12.9179 13.5684 13.5684 14.7268 14.7268 k = 0.0000 0.0000 0.5125 ( 3418 PWs) bands (ev): 1.9305 1.9305 1.9999 1.9999 2.1094 2.1094 2.1253 2.1253 2.1386 2.1386 2.1480 2.1480 2.5818 2.5818 2.7637 2.7637 2.7979 2.7979 2.8253 2.8253 2.8646 2.8646 2.9086 2.9086 3.0776 3.0776 3.2204 3.2204 3.4553 3.4553 5.2139 5.2139 5.5086 5.5086 10.4373 10.4373 10.5350 10.5350 10.5861 10.5861 12.7832 12.7832 12.9209 12.9209 13.5642 13.5642 14.7344 14.7344 k = 0.0000 0.0000 0.5125 ( 3418 PWs) bands (ev): 1.9305 1.9305 1.9999 1.9999 2.1094 2.1094 2.1253 2.1253 2.1386 2.1386 2.1480 2.1480 2.5818 2.5818 2.7637 2.7637 2.7979 2.7979 2.8253 2.8253 2.8646 2.8646 2.9086 2.9086 3.0776 3.0776 3.2204 3.2204 3.4553 3.4553 5.2139 5.2139 5.5086 5.5086 10.4373 10.4373 10.5350 10.5350 10.5861 10.5861 12.7832 12.7832 12.9209 12.9209 13.5642 13.5642 14.7344 14.7344 k = 0.0000 0.0139 0.5125 ( 3410 PWs) bands (ev): 1.9307 1.9307 2.0001 2.0001 2.1091 2.1091 2.1256 2.1256 2.1387 2.1387 2.1481 2.1481 2.5821 2.5821 2.7634 2.7634 2.7977 2.7977 2.8254 2.8254 2.8651 2.8651 2.9087 2.9087 3.0777 3.0777 3.2202 3.2202 3.4547 3.4547 5.2150 5.2150 5.5110 5.5110 10.4349 10.4349 10.5325 10.5325 10.5850 10.5850 12.7769 12.7769 12.9214 12.9214 13.5699 13.5699 14.7321 14.7321 k = 0.0000 0.0278 0.5125 ( 3414 PWs) bands (ev): 1.9316 1.9316 2.0006 2.0006 2.1083 2.1083 2.1260 2.1260 2.1392 2.1392 2.1483 2.1483 2.5827 2.5827 2.7626 2.7626 2.7969 2.7969 2.8252 2.8252 2.8664 2.8664 2.9088 2.9088 3.0775 3.0775 3.2193 3.2193 3.4527 3.4527 5.2185 5.2185 5.5180 5.5180 10.4262 10.4262 10.5265 10.5265 10.5818 10.5818 12.7583 12.7583 12.9229 12.9229 13.5866 13.5866 14.7204 14.7204 k = 0.0000 0.0417 0.5125 ( 3412 PWs) bands (ev): 1.9329 1.9329 2.0015 2.0015 2.1072 2.1072 2.1266 2.1266 2.1400 2.1400 2.1487 2.1487 2.5835 2.5835 2.7614 2.7614 2.7956 2.7956 2.8251 2.8251 2.8685 2.8685 2.9092 2.9092 3.0772 3.0772 3.2181 3.2181 3.4495 3.4495 5.2242 5.2242 5.5298 5.5298 10.4077 10.4077 10.5204 10.5204 10.5769 10.5769 12.7283 12.7283 12.9254 12.9254 13.6140 13.6140 14.6888 14.6888 k = 0.0000 0.0556 0.5125 ( 3408 PWs) bands (ev): 1.9348 1.9348 2.0028 2.0028 2.1057 2.1057 2.1273 2.1273 2.1410 2.1410 2.1493 2.1493 2.5848 2.5848 2.7598 2.7598 2.7938 2.7938 2.8252 2.8252 2.8710 2.8710 2.9098 2.9098 3.0768 3.0768 3.2164 3.2164 3.4451 3.4451 5.2323 5.2323 5.5461 5.5461 10.3763 10.3763 10.5175 10.5175 10.5707 10.5707 12.6883 12.6883 12.9289 12.9289 13.6512 13.6512 14.6302 14.6302 k = 0.0000 0.0694 0.5125 ( 3404 PWs) bands (ev): 1.9373 1.9373 2.0042 2.0042 2.1039 2.1039 2.1280 2.1280 2.1422 2.1422 2.1501 2.1501 2.5864 2.5864 2.7578 2.7578 2.7916 2.7916 2.8254 2.8254 2.8739 2.8739 2.9107 2.9107 3.0762 3.0762 3.2143 3.2143 3.4396 3.4396 5.2426 5.2426 5.5671 5.5671 10.3319 10.3319 10.5172 10.5172 10.5643 10.5643 12.6399 12.6399 12.9333 12.9333 13.6972 13.6972 14.5479 14.5479 k = 0.0000 0.0833 0.5125 ( 3408 PWs) bands (ev): 1.9402 1.9402 2.0060 2.0060 2.1018 2.1018 2.1288 2.1288 2.1435 2.1435 2.1512 2.1512 2.5883 2.5883 2.7555 2.7555 2.7889 2.7889 2.8259 2.8259 2.8766 2.8766 2.9121 2.9121 3.0754 3.0754 3.2117 3.2117 3.4327 3.4327 5.2552 5.2552 5.5926 5.5926 10.2761 10.2761 10.5160 10.5160 10.5605 10.5605 12.5847 12.5847 12.9387 12.9387 13.7509 13.7509 14.4492 14.4492 k = 0.0000 0.0972 0.5125 ( 3404 PWs) bands (ev): 1.9438 1.9438 2.0079 2.0079 2.0996 2.0996 2.1295 2.1295 2.1447 2.1447 2.1527 2.1527 2.5906 2.5906 2.7531 2.7531 2.7860 2.7860 2.8268 2.8268 2.8792 2.8792 2.9142 2.9142 3.0743 3.0743 3.2087 3.2087 3.4247 3.4247 5.2702 5.2702 5.6225 5.6225 10.2108 10.2108 10.5084 10.5084 10.5632 10.5632 12.5242 12.5242 12.9450 12.9450 13.8109 13.8109 14.3411 14.3411 k = 0.0000 0.1111 0.5125 ( 3404 PWs) bands (ev): 1.9479 1.9479 2.0101 2.0101 2.0972 2.0972 2.1302 2.1302 2.1458 2.1458 2.1546 2.1546 2.5931 2.5931 2.7505 2.7505 2.7829 2.7829 2.8279 2.8279 2.8812 2.8812 2.9170 2.9170 3.0730 3.0730 3.2054 3.2054 3.4155 3.4155 5.2873 5.2873 5.6567 5.6567 10.1376 10.1376 10.4932 10.4932 10.5728 10.5728 12.4598 12.4598 12.9520 12.9520 13.8757 13.8757 14.2282 14.2282 k = 0.0000 0.1250 0.5125 ( 3412 PWs) bands (ev): 1.9523 1.9523 2.0124 2.0124 2.0946 2.0946 2.1309 2.1309 2.1467 2.1467 2.1569 2.1569 2.5962 2.5962 2.7479 2.7479 2.7798 2.7798 2.8293 2.8293 2.8824 2.8824 2.9205 2.9205 3.0715 3.0715 3.2015 3.2015 3.4051 3.4051 5.3068 5.3068 5.6952 5.6952 10.0577 10.0577 10.4718 10.4718 10.5870 10.5870 12.3926 12.3926 12.9598 12.9598 13.9436 13.9436 14.1141 14.1141 k = 0.0000 0.1389 0.5125 ( 3408 PWs) bands (ev): 1.9573 1.9573 2.0149 2.0149 2.0921 2.0921 2.1315 2.1315 2.1477 2.1477 2.1595 2.1595 2.5996 2.5996 2.7454 2.7454 2.7768 2.7768 2.8309 2.8309 2.8831 2.8831 2.9248 2.9248 3.0696 3.0696 3.1974 3.1974 3.3940 3.3940 5.3285 5.3285 5.7379 5.7379 9.9723 9.9723 10.4450 10.4450 10.6042 10.6042 12.3237 12.3237 12.9681 12.9681 14.0013 14.0013 14.0125 14.0125 k = 0.0000 0.1528 0.5125 ( 3404 PWs) bands (ev): 1.9627 1.9627 2.0175 2.0175 2.0895 2.0895 2.1321 2.1321 2.1485 2.1485 2.1623 2.1623 2.6034 2.6034 2.7429 2.7429 2.7739 2.7739 2.8328 2.8328 2.8832 2.8832 2.9297 2.9297 3.0675 3.0675 3.1929 3.1929 3.3819 3.3819 5.3523 5.3523 5.7847 5.7847 9.8823 9.8823 10.4129 10.4129 10.6237 10.6237 12.2539 12.2539 12.9769 12.9769 13.8926 13.8926 14.0788 14.0788 k = 0.0000 0.1667 0.5125 ( 3400 PWs) bands (ev): 1.9684 1.9684 2.0201 2.0201 2.0868 2.0868 2.1328 2.1328 2.1494 2.1494 2.1651 2.1651 2.6076 2.6076 2.7406 2.7406 2.7714 2.7714 2.8348 2.8348 2.8829 2.8829 2.9350 2.9350 3.0652 3.0652 3.1881 3.1881 3.3690 3.3690 5.3784 5.3784 5.8353 5.8353 9.7885 9.7885 10.3752 10.3752 10.6451 10.6451 12.1839 12.1839 12.9859 12.9859 13.7890 13.7890 14.1392 14.1392 k = 0.0000 0.1806 0.5125 ( 3398 PWs) bands (ev): 1.9746 1.9746 2.0225 2.0225 2.0841 2.0841 2.1334 2.1334 2.1503 2.1503 2.1681 2.1681 2.6121 2.6121 2.7384 2.7384 2.7693 2.7693 2.8370 2.8370 2.8823 2.8823 2.9405 2.9405 3.0625 3.0625 3.1831 3.1831 3.3552 3.3552 5.4066 5.4066 5.8899 5.8899 9.6917 9.6917 10.3315 10.3315 10.6680 10.6680 12.1142 12.1142 12.9949 12.9949 13.6922 13.6922 14.1881 14.1881 k = 0.0000 0.1944 0.5125 ( 3398 PWs) bands (ev): 1.9811 1.9811 2.0249 2.0249 2.0813 2.0813 2.1341 2.1341 2.1513 2.1513 2.1709 2.1709 2.6170 2.6170 2.7363 2.7363 2.7678 2.7678 2.8392 2.8392 2.8814 2.8814 2.9461 2.9461 3.0596 3.0596 3.1777 3.1777 3.3408 3.3408 5.4369 5.4369 5.9482 5.9482 9.5926 9.5926 10.2817 10.2817 10.6922 10.6922 12.0455 12.0455 13.0034 13.0034 13.6036 13.6036 14.2195 14.2195 k = 0.0000 0.2083 0.5125 ( 3398 PWs) bands (ev): 1.9880 1.9880 2.0271 2.0271 2.0785 2.0785 2.1347 2.1347 2.1523 2.1523 2.1737 2.1737 2.6223 2.6223 2.7345 2.7345 2.7669 2.7669 2.8414 2.8414 2.8803 2.8803 2.9517 2.9517 3.0564 3.0564 3.1720 3.1720 3.3258 3.3258 5.4692 5.4692 6.0101 6.0101 9.4918 9.4918 10.2253 10.2253 10.7175 10.7175 11.9781 11.9781 13.0110 13.0110 13.5242 13.5242 14.2292 14.2292 k = 0.0000 0.2222 0.5125 ( 3398 PWs) bands (ev): 1.9951 1.9951 2.0290 2.0290 2.0757 2.0757 2.1354 2.1354 2.1534 2.1534 2.1763 2.1763 2.6279 2.6279 2.7329 2.7329 2.7668 2.7668 2.8435 2.8435 2.8792 2.8792 2.9571 2.9571 3.0531 3.0531 3.1661 3.1661 3.3103 3.3103 5.5036 5.5036 6.0756 6.0756 9.3898 9.3898 10.1623 10.1623 10.7437 10.7437 11.9123 11.9123 13.0170 13.0170 13.4553 13.4553 14.2178 14.2178 k = 0.0000 0.2361 0.5125 ( 3398 PWs) bands (ev): 2.0024 2.0024 2.0308 2.0308 2.0729 2.0729 2.1363 2.1363 2.1546 2.1546 2.1787 2.1787 2.6340 2.6340 2.7316 2.7316 2.7674 2.7674 2.8457 2.8457 2.8779 2.8779 2.9622 2.9622 3.0496 3.0496 3.1597 3.1597 3.2945 3.2945 5.5398 5.5398 6.1446 6.1446 9.2871 9.2871 10.0926 10.0926 10.7706 10.7706 11.8484 11.8484 13.0205 13.0205 13.3979 13.3979 14.1899 14.1899 k = 0.0000 0.2500 0.5125 ( 3398 PWs) bands (ev): 2.0098 2.0098 2.0324 2.0324 2.0701 2.0701 2.1371 2.1371 2.1559 2.1559 2.1809 2.1809 2.6405 2.6405 2.7307 2.7307 2.7688 2.7688 2.8477 2.8477 2.8766 2.8766 2.9667 2.9667 3.0462 3.0462 3.1531 3.1531 3.2784 3.2784 5.5777 5.5777 6.2169 6.2169 9.1842 9.1842 10.0163 10.0163 10.7980 10.7980 11.7868 11.7868 13.0206 13.0206 13.3529 13.3529 14.1515 14.1515 k = 0.0000 0.2639 0.5125 ( 3396 PWs) bands (ev): 2.0173 2.0173 2.0336 2.0336 2.0675 2.0675 2.1380 2.1380 2.1573 2.1573 2.1828 2.1828 2.6474 2.6474 2.7303 2.7303 2.7710 2.7710 2.8496 2.8496 2.8752 2.8752 2.9705 2.9705 3.0428 3.0428 3.1462 3.1462 3.2622 3.2622 5.6174 5.6174 6.2924 6.2924 9.0816 9.0816 9.9336 9.9336 10.8256 10.8256 11.7275 11.7275 13.0168 13.0168 13.3207 13.3207 14.1075 14.1075 k = 0.0000 0.2778 0.5125 ( 3388 PWs) bands (ev): 2.0250 2.0250 2.0346 2.0346 2.0651 2.0651 2.1389 2.1389 2.1588 2.1588 2.1845 2.1845 2.6546 2.6546 2.7303 2.7303 2.7740 2.7740 2.8514 2.8514 2.8738 2.8738 2.9734 2.9734 3.0398 3.0398 3.1392 3.1392 3.2461 3.2461 5.6586 5.6586 6.3711 6.3711 8.9798 8.9798 9.8450 9.8450 10.8532 10.8532 11.6709 11.6709 13.0090 13.0090 13.3007 13.3007 14.0610 14.0610 k = 0.0000 0.2917 0.5125 ( 3396 PWs) bands (ev): 2.0324 2.0324 2.0353 2.0353 2.0629 2.0629 2.1398 2.1398 2.1603 2.1603 2.1858 2.1858 2.6621 2.6621 2.7309 2.7309 2.7777 2.7777 2.8529 2.8529 2.8722 2.8722 2.9750 2.9750 3.0370 3.0370 3.1320 3.1320 3.2300 3.2300 5.7012 5.7012 6.4529 6.4529 8.8790 8.8790 9.7507 9.7507 10.8806 10.8806 11.6169 11.6169 12.9986 12.9986 13.2914 13.2914 14.0141 14.0141 k = 0.0000 0.3056 0.5125 ( 3400 PWs) bands (ev): 2.0357 2.0357 2.0393 2.0393 2.0612 2.0612 2.1407 2.1407 2.1618 2.1618 2.1868 2.1868 2.6699 2.6699 2.7322 2.7322 2.7821 2.7821 2.8543 2.8543 2.8705 2.8705 2.9753 2.9753 3.0347 3.0347 3.1246 3.1246 3.2143 3.2143 5.7450 5.7450 6.5377 6.5377 8.7798 8.7798 9.6514 9.6514 10.9077 10.9077 11.5659 11.5659 12.9871 12.9871 13.2903 13.2903 13.9682 13.9682 k = 0.0000 0.3194 0.5125 ( 3396 PWs) bands (ev): 2.0360 2.0360 2.0450 2.0450 2.0609 2.0609 2.1416 2.1416 2.1634 2.1634 2.1876 2.1876 2.6780 2.6780 2.7341 2.7341 2.7871 2.7871 2.8554 2.8554 2.8688 2.8688 2.9743 2.9743 3.0328 3.0328 3.1174 3.1174 3.1993 3.1993 5.7897 5.7897 6.6253 6.6253 8.6827 8.6827 9.5476 9.5476 10.9341 10.9341 11.5179 11.5179 12.9759 12.9759 13.2953 13.2953 13.9241 13.9241 k = 0.0000 0.3333 0.5125 ( 3394 PWs) bands (ev): 2.0359 2.0359 2.0478 2.0478 2.0633 2.0633 2.1426 2.1426 2.1650 2.1650 2.1881 2.1881 2.6864 2.6864 2.7367 2.7367 2.7927 2.7927 2.8562 2.8562 2.8671 2.8671 2.9718 2.9718 3.0310 3.0310 3.1104 3.1104 3.1849 3.1849 5.8351 5.8351 6.7156 6.7156 8.5881 8.5881 9.4399 9.4399 10.9597 10.9597 11.4731 11.4731 12.9661 12.9661 13.3044 13.3044 13.8825 13.8825 k = 0.0000 0.3472 0.5125 ( 3394 PWs) bands (ev): 2.0358 2.0358 2.0479 2.0479 2.0685 2.0685 2.1435 2.1435 2.1665 2.1665 2.1883 2.1883 2.6949 2.6949 2.7400 2.7400 2.7988 2.7988 2.8562 2.8562 2.8656 2.8656 2.9681 2.9681 3.0289 3.0289 3.1038 3.1038 3.1716 3.1716 5.8808 5.8808 6.8086 6.8086 8.4965 8.4965 9.3290 9.3290 10.9842 10.9842 11.4315 11.4315 12.9583 12.9583 13.3163 13.3163 13.8435 13.8435 k = 0.0000 0.3611 0.5125 ( 3378 PWs) bands (ev): 2.0357 2.0357 2.0468 2.0468 2.0749 2.0749 2.1445 2.1445 2.1680 2.1680 2.1884 2.1884 2.7036 2.7036 2.7442 2.7442 2.8052 2.8052 2.8551 2.8551 2.8651 2.8651 2.9634 2.9634 3.0260 3.0260 3.0981 3.0981 3.1594 3.1594 5.9264 5.9264 6.9041 6.9041 8.4085 8.4085 9.2154 9.2154 11.0074 11.0074 11.3933 11.3933 12.9524 12.9524 13.3299 13.3299 13.8076 13.8076 k = 0.0000 0.3750 0.5125 ( 3382 PWs) bands (ev): 2.0353 2.0353 2.0453 2.0453 2.0813 2.0813 2.1453 2.1453 2.1692 2.1692 2.1882 2.1882 2.7123 2.7123 2.7489 2.7489 2.8117 2.8117 2.8526 2.8526 2.8654 2.8654 2.9579 2.9579 3.0216 3.0216 3.0935 3.0935 3.1483 3.1483 5.9714 5.9714 7.0020 7.0020 8.3247 8.3247 9.0999 9.0999 11.0292 11.0292 11.3584 11.3584 12.9484 12.9484 13.3444 13.3444 13.7748 13.7748 k = 0.0000 0.3889 0.5125 ( 3390 PWs) bands (ev): 2.0348 2.0348 2.0438 2.0438 2.0874 2.0874 2.1461 2.1461 2.1703 2.1703 2.1878 2.1878 2.7209 2.7209 2.7543 2.7543 2.8180 2.8180 2.8490 2.8490 2.8665 2.8665 2.9517 2.9517 3.0157 3.0157 3.0901 3.0901 3.1385 3.1385 6.0152 6.0152 7.1020 7.1020 8.2459 8.2459 8.9828 8.9828 11.0492 11.0492 11.3271 11.3271 12.9460 12.9460 13.3592 13.3592 13.7453 13.7453 k = 0.0000 0.4028 0.5125 ( 3396 PWs) bands (ev): 2.0342 2.0342 2.0422 2.0422 2.0932 2.0932 2.1469 2.1469 2.1711 2.1711 2.1873 2.1873 2.7294 2.7294 2.7603 2.7603 2.8240 2.8240 2.8447 2.8447 2.8684 2.8684 2.9452 2.9452 3.0084 3.0084 3.0880 3.0880 3.1300 3.1300 6.0572 6.0572 7.2040 7.2040 8.1728 8.1728 8.8650 8.8650 11.0674 11.0674 11.2994 11.2994 12.9449 12.9449 13.3738 13.3738 13.7192 13.7192 k = 0.0000 0.4167 0.5125 ( 3396 PWs) bands (ev): 2.0337 2.0337 2.0409 2.0409 2.0985 2.0985 2.1477 2.1477 2.1718 2.1718 2.1867 2.1867 2.7378 2.7378 2.7669 2.7669 2.8289 2.8289 2.8403 2.8403 2.8710 2.8710 2.9385 2.9385 3.0001 3.0001 3.0869 3.0869 3.1228 3.1228 6.0965 6.0965 7.3076 7.3076 8.1063 8.1063 8.7470 8.7470 11.0835 11.0835 11.2752 11.2752 12.9448 12.9448 13.3876 13.3876 13.6965 13.6965 k = 0.0000 0.4306 0.5125 ( 3396 PWs) bands (ev): 2.0332 2.0332 2.0398 2.0398 2.1032 2.1032 2.1485 2.1485 2.1724 2.1724 2.1862 2.1862 2.7459 2.7459 2.7738 2.7738 2.8306 2.8306 2.8376 2.8376 2.8744 2.8744 2.9320 2.9320 2.9911 2.9911 3.0864 3.0864 3.1168 3.1168 6.1323 6.1323 7.4124 7.4124 8.0474 8.0474 8.6295 8.6295 11.0974 11.0974 11.2548 11.2548 12.9452 12.9452 13.4002 13.4002 13.6773 13.6773 k = 0.0000 0.4444 0.5125 ( 3392 PWs) bands (ev): 2.0329 2.0329 2.0390 2.0390 2.1072 2.1072 2.1492 2.1492 2.1727 2.1727 2.1857 2.1857 2.7537 2.7537 2.7808 2.7808 2.8267 2.8267 2.8391 2.8391 2.8785 2.8785 2.9260 2.9260 2.9822 2.9822 3.0864 3.0864 3.1120 3.1120 6.1635 6.1635 7.5175 7.5175 7.9972 7.9972 8.5138 8.5138 11.1089 11.1089 11.2380 11.2380 12.9460 12.9460 13.4111 13.4111 13.6616 13.6616 k = 0.0000 0.4583 0.5125 ( 3392 PWs) bands (ev): 2.0325 2.0325 2.0383 2.0383 2.1104 2.1104 2.1498 2.1498 2.1730 2.1730 2.1852 2.1852 2.7609 2.7609 2.7872 2.7872 2.8212 2.8212 2.8408 2.8408 2.8828 2.8828 2.9211 2.9211 2.9736 2.9736 3.0866 3.0866 3.1083 3.1083 6.1892 6.1892 7.6213 7.6213 7.9566 7.9566 8.4015 8.4015 11.1179 11.1179 11.2250 11.2250 12.9469 12.9469 13.4200 13.4200 13.6493 13.6493 k = 0.0000 0.4722 0.5125 ( 3392 PWs) bands (ev): 2.0322 2.0322 2.0378 2.0378 2.1127 2.1127 2.1503 2.1503 2.1731 2.1731 2.1848 2.1848 2.7672 2.7672 2.7928 2.7928 2.8159 2.8159 2.8417 2.8417 2.8864 2.8864 2.9178 2.9178 2.9663 2.9663 3.0868 3.0868 3.1057 3.1057 6.2084 6.2084 7.7200 7.7200 7.9268 7.9268 8.2966 8.2966 11.1243 11.1243 11.2158 11.2158 12.9477 12.9477 13.4266 13.4266 13.6406 13.6406 k = 0.0000 0.4861 0.5125 ( 3396 PWs) bands (ev): 2.0320 2.0320 2.0375 2.0375 2.1141 2.1141 2.1507 2.1507 2.1732 2.1732 2.1845 2.1845 2.7719 2.7719 2.7968 2.7968 2.8114 2.8114 2.8420 2.8420 2.8887 2.8887 2.9162 2.9162 2.9611 2.9611 3.0869 3.0869 3.1041 3.1041 6.2203 6.2203 7.8027 7.8027 7.9086 7.9086 8.2102 8.2102 11.1282 11.1282 11.2102 11.2102 12.9482 12.9482 13.4306 13.4306 13.6353 13.6353 k = 0.0000 0.5000 0.5125 ( 3396 PWs) bands (ev): 2.0320 2.0320 2.0374 2.0374 2.1145 2.1145 2.1508 2.1508 2.1732 2.1732 2.1844 2.1844 2.7737 2.7737 2.7984 2.7984 2.8095 2.8095 2.8421 2.8421 2.8894 2.8894 2.9159 2.9159 2.9592 2.9592 3.0869 3.0869 3.1036 3.1036 6.2243 6.2243 7.8396 7.8396 7.9024 7.9024 8.1720 8.1720 11.1295 11.1295 11.2084 11.2084 12.9484 12.9484 13.4320 13.4320 13.6336 13.6336 k = 0.0000 0.5000 0.5125 ( 3396 PWs) bands (ev): 2.0320 2.0320 2.0374 2.0374 2.1145 2.1145 2.1508 2.1508 2.1732 2.1732 2.1844 2.1844 2.7737 2.7737 2.7984 2.7984 2.8095 2.8095 2.8421 2.8421 2.8894 2.8894 2.9159 2.9159 2.9592 2.9592 3.0869 3.0869 3.1036 3.1036 6.2243 6.2243 7.8396 7.8396 7.9024 7.9024 8.1720 8.1720 11.1295 11.1295 11.2084 11.2084 12.9484 12.9484 13.4320 13.4320 13.6336 13.6336 k = 0.0139 0.5000 0.5125 ( 3392 PWs) bands (ev): 2.0318 2.0318 2.0373 2.0373 2.1140 2.1140 2.1493 2.1493 2.1730 2.1730 2.1848 2.1848 2.7727 2.7727 2.7974 2.7974 2.8098 2.8098 2.8417 2.8417 2.8909 2.8909 2.9170 2.9170 2.9588 2.9588 3.0876 3.0876 3.1050 3.1050 6.2265 6.2265 7.8405 7.8405 7.9033 7.9033 8.1743 8.1743 11.1280 11.1280 11.2067 11.2067 12.9489 12.9489 13.4323 13.4323 13.6236 13.6236 k = 0.0278 0.5000 0.5125 ( 3388 PWs) bands (ev): 2.0312 2.0312 2.0369 2.0369 2.1124 2.1124 2.1451 2.1451 2.1723 2.1723 2.1857 2.1857 2.7700 2.7700 2.7946 2.7946 2.8103 2.8103 2.8407 2.8407 2.8948 2.8948 2.9203 2.9203 2.9576 2.9576 3.0896 3.0896 3.1090 3.1090 6.2333 6.2333 7.8434 7.8434 7.9058 7.9058 8.1811 8.1811 11.1235 11.1235 11.2017 11.2017 12.9507 12.9507 13.4332 13.4332 13.5941 13.5941 k = 0.0417 0.5000 0.5125 ( 3384 PWs) bands (ev): 2.0300 2.0300 2.0363 2.0363 2.1096 2.1096 2.1387 2.1387 2.1709 2.1709 2.1867 2.1867 2.7657 2.7657 2.7907 2.7907 2.8105 2.8105 2.8396 2.8396 2.9006 2.9006 2.9252 2.9252 2.9561 2.9561 3.0931 3.0931 3.1155 3.1155 6.2446 6.2446 7.8482 7.8482 7.9100 7.9100 8.1925 8.1925 11.1160 11.1160 11.1933 11.1933 12.9534 12.9534 13.4345 13.4345 13.5460 13.5460 k = 0.0556 0.5000 0.5125 ( 3384 PWs) bands (ev): 2.0285 2.0285 2.0353 2.0353 2.1059 2.1059 2.1309 2.1309 2.1688 2.1688 2.1874 2.1874 2.7603 2.7603 2.7860 2.7860 2.8105 2.8105 2.8386 2.8386 2.9073 2.9073 2.9310 2.9310 2.9550 2.9550 3.0980 3.0980 3.1239 3.1239 6.2604 6.2604 7.8549 7.8549 7.9159 7.9159 8.2083 8.2083 11.1056 11.1056 11.1816 11.1816 12.9572 12.9572 13.4343 13.4343 13.4823 13.4823 k = 0.0694 0.5000 0.5125 ( 3384 PWs) bands (ev): 2.0264 2.0264 2.0340 2.0340 2.1014 2.1014 2.1219 2.1219 2.1660 2.1660 2.1876 2.1876 2.7542 2.7542 2.7806 2.7806 2.8103 2.8103 2.8379 2.8379 2.9144 2.9144 2.9358 2.9358 2.9561 2.9561 3.1043 3.1043 3.1339 3.1339 6.2806 6.2806 7.8636 7.8636 7.9234 7.9234 8.2287 8.2287 11.0921 11.0921 11.1665 11.1665 12.9617 12.9617 13.3918 13.3918 13.4456 13.4456 k = 0.0833 0.5000 0.5125 ( 3384 PWs) bands (ev): 2.0239 2.0239 2.0323 2.0323 2.0960 2.0960 2.1120 2.1120 2.1626 2.1626 2.1870 2.1870 2.7478 2.7478 2.7746 2.7746 2.8102 2.8102 2.8376 2.8376 2.9213 2.9213 2.9377 2.9377 2.9614 2.9614 3.1122 3.1122 3.1453 3.1453 6.3053 6.3053 7.8741 7.8741 7.9326 7.9326 8.2535 8.2535 11.0757 11.0757 11.1481 11.1481 12.9665 12.9665 13.2981 13.2981 13.4468 13.4468 k = 0.0972 0.5000 0.5125 ( 3384 PWs) bands (ev): 2.0209 2.0209 2.0302 2.0302 2.0900 2.0900 2.1014 2.1014 2.1585 2.1585 2.1858 2.1858 2.7414 2.7414 2.7682 2.7682 2.8103 2.8103 2.8375 2.8375 2.9276 2.9276 2.9372 2.9372 2.9702 2.9702 3.1216 3.1216 3.1576 3.1576 6.3343 6.3343 7.8865 7.8865 7.9435 7.9435 8.2826 8.2826 11.0564 11.0564 11.1265 11.1265 12.9697 12.9697 13.1921 13.1921 13.4506 13.4506 k = 0.1111 0.5000 0.5125 ( 3380 PWs) bands (ev): 2.0174 2.0174 2.0276 2.0276 2.0834 2.0834 2.0903 2.0903 2.1540 2.1540 2.1839 2.1839 2.7353 2.7353 2.7612 2.7612 2.8107 2.8107 2.8378 2.8378 2.9319 2.9319 2.9368 2.9368 2.9812 2.9812 3.1325 3.1325 3.1707 3.1707 6.3676 6.3676 7.9009 7.9009 7.9560 7.9560 8.3160 8.3160 11.0342 11.0342 11.1016 11.1016 12.9628 12.9628 13.0860 13.0860 13.4552 13.4552 k = 0.1250 0.5000 0.5125 ( 3376 PWs) bands (ev): 2.0135 2.0135 2.0245 2.0245 2.0760 2.0760 2.0793 2.0793 2.1490 2.1490 2.1814 2.1814 2.7295 2.7295 2.7539 2.7539 2.8116 2.8116 2.8384 2.8384 2.9318 2.9318 2.9396 2.9396 2.9934 2.9934 3.1447 3.1447 3.1844 3.1844 6.4052 6.4052 7.9171 7.9171 7.9703 7.9703 8.3535 8.3535 11.0092 11.0092 11.0735 11.0735 12.8990 12.8990 13.0284 13.0284 13.4603 13.4603 k = 0.1389 0.5000 0.5125 ( 3372 PWs) bands (ev): 2.0091 2.0091 2.0206 2.0206 2.0659 2.0659 2.0704 2.0704 2.1436 2.1436 2.1784 2.1784 2.7242 2.7242 2.7463 2.7463 2.8127 2.8127 2.8393 2.8393 2.9302 2.9302 2.9431 2.9431 3.0064 3.0064 3.1581 3.1581 3.1985 3.1985 6.4470 6.4470 7.9352 7.9352 7.9861 7.9861 8.3952 8.3952 10.9813 10.9813 11.0422 11.0422 12.7748 12.7748 13.0242 13.0242 13.4657 13.4657 k = 0.1528 0.5000 0.5125 ( 3372 PWs) bands (ev): 2.0041 2.0041 2.0159 2.0159 2.0540 2.0540 2.0627 2.0627 2.1380 2.1380 2.1750 2.1750 2.7193 2.7193 2.7386 2.7386 2.8142 2.8142 2.8404 2.8404 2.9284 2.9284 2.9460 2.9460 3.0199 3.0199 3.1724 3.1724 3.2128 3.2128 6.4930 6.4930 7.9551 7.9551 8.0036 8.0036 8.4407 8.4407 10.9507 10.9507 11.0079 11.0079 12.6338 12.6338 13.0315 13.0315 13.4715 13.4715 k = 0.1667 0.5000 0.5125 ( 3360 PWs) bands (ev): 1.9988 1.9988 2.0103 2.0103 2.0420 2.0420 2.0554 2.0554 2.1323 2.1323 2.1713 2.1713 2.7151 2.7151 2.7309 2.7309 2.8159 2.8159 2.8419 2.8419 2.9268 2.9268 2.9482 2.9482 3.0339 3.0339 3.1876 3.1876 3.2274 3.2274 6.5430 6.5430 7.9769 7.9769 8.0228 8.0228 8.4902 8.4902 10.9175 10.9175 10.9707 10.9707 12.4853 12.4853 13.0420 13.0420 13.4774 13.4774 k = 0.1806 0.5000 0.5125 ( 3364 PWs) bands (ev): 1.9929 1.9929 2.0036 2.0036 2.0300 2.0300 2.0480 2.0480 2.1265 2.1265 2.1673 2.1673 2.7112 2.7112 2.7232 2.7232 2.8178 2.8178 2.8434 2.8434 2.9254 2.9254 2.9498 2.9498 3.0480 3.0480 3.2032 3.2032 3.2419 3.2419 6.5970 6.5970 8.0004 8.0004 8.0435 8.0435 8.5432 8.5432 10.8817 10.8817 10.9306 10.9306 12.3319 12.3319 13.0542 13.0542 13.4833 13.4833 k = 0.1944 0.5000 0.5125 ( 3364 PWs) bands (ev): 1.9866 1.9866 1.9960 1.9960 2.0184 2.0184 2.0406 2.0406 2.1210 2.1210 2.1632 2.1632 2.7076 2.7076 2.7159 2.7159 2.8197 2.8197 2.8452 2.8452 2.9242 2.9242 2.9508 2.9508 3.0622 3.0622 3.2192 3.2192 3.2563 3.2563 6.6550 6.6550 8.0257 8.0257 8.0658 8.0658 8.5998 8.5998 10.8435 10.8435 10.8877 10.8877 12.1752 12.1752 13.0673 13.0673 13.4890 13.4890 k = 0.2083 0.5000 0.5125 ( 3364 PWs) bands (ev): 1.9797 1.9797 1.9875 1.9875 2.0072 2.0072 2.0332 2.0332 2.1158 2.1158 2.1590 2.1590 2.7038 2.7038 2.7094 2.7094 2.8216 2.8216 2.8472 2.8472 2.9232 2.9232 2.9513 2.9513 3.0763 3.0763 3.2353 3.2353 3.2706 3.2706 6.7168 6.7168 8.0526 8.0526 8.0897 8.0897 8.6596 8.6596 10.8030 10.8030 10.8424 10.8424 12.0161 12.0161 13.0812 13.0812 13.4945 13.4945 k = 0.2222 0.5000 0.5125 ( 3368 PWs) bands (ev): 1.9722 1.9722 1.9784 1.9784 1.9964 1.9964 2.0257 2.0257 2.1108 2.1108 2.1548 2.1548 2.6985 2.6985 2.7051 2.7051 2.8234 2.8234 2.8493 2.8493 2.9225 2.9225 2.9515 2.9515 3.0903 3.0903 3.2515 3.2515 3.2846 3.2846 6.7824 6.7824 8.0812 8.0812 8.1152 8.1152 8.7225 8.7225 10.7604 10.7604 10.7946 10.7946 11.8554 11.8554 13.0956 13.0956 13.4996 13.4996 k = 0.2361 0.5000 0.5125 ( 3364 PWs) bands (ev): 1.9637 1.9637 1.9697 1.9697 1.9862 1.9862 2.0182 2.0182 2.1064 2.1064 2.1506 2.1506 2.6922 2.6922 2.7026 2.7026 2.8253 2.8253 2.8515 2.8515 2.9222 2.9222 2.9514 2.9514 3.1042 3.1042 3.2676 3.2676 3.2985 3.2985 6.8517 6.8517 8.1112 8.1112 8.1422 8.1422 8.7883 8.7883 10.7158 10.7158 10.7448 10.7448 11.6937 11.6937 13.1104 13.1104 13.5039 13.5039 k = 0.2500 0.5000 0.5125 ( 3368 PWs) bands (ev): 1.9538 1.9538 1.9616 1.9616 1.9764 1.9764 2.0104 2.0104 2.1024 2.1024 2.1465 2.1465 2.6858 2.6858 2.7008 2.7008 2.8269 2.8269 2.8537 2.8537 2.9221 2.9221 2.9510 2.9510 3.1176 3.1176 3.2834 3.2834 3.3119 3.3119 6.9246 6.9246 8.1426 8.1426 8.1707 8.1707 8.8566 8.8566 10.6693 10.6693 10.6931 10.6931 11.5316 11.5316 13.1254 13.1254 13.5074 13.5074 k = 0.2639 0.5000 0.5125 ( 3368 PWs) bands (ev): 1.9434 1.9434 1.9539 1.9539 1.9669 1.9669 2.0026 2.0026 2.0988 2.0988 2.1424 2.1424 2.6796 2.6796 2.6995 2.6995 2.8284 2.8284 2.8558 2.8558 2.9224 2.9224 2.9505 2.9505 3.1307 3.1307 3.2990 3.2990 3.3249 3.3249 7.0011 7.0011 8.1751 8.1751 8.2007 8.2007 8.9271 8.9271 10.6211 10.6211 10.6400 10.6400 11.3695 11.3695 13.1405 13.1405 13.5098 13.5098 k = 0.2778 0.5000 0.5125 ( 3364 PWs) bands (ev): 1.9329 1.9329 1.9465 1.9465 1.9578 1.9578 1.9947 1.9947 2.0956 2.0956 2.1386 2.1386 2.6737 2.6737 2.6985 2.6985 2.8297 2.8297 2.8578 2.8578 2.9230 2.9230 2.9500 2.9500 3.1434 3.1434 3.3140 3.3140 3.3375 3.3375 7.0811 7.0811 8.2086 8.2086 8.2323 8.2323 8.9994 8.9994 10.5710 10.5710 10.5862 10.5862 11.2078 11.2078 13.1555 13.1555 13.5108 13.5108 k = 0.2917 0.5000 0.5125 ( 3368 PWs) bands (ev): 1.9225 1.9225 1.9393 1.9393 1.9490 1.9490 1.9867 1.9867 2.0928 2.0928 2.1348 2.1348 2.6682 2.6682 2.6978 2.6978 2.8309 2.8309 2.8596 2.8596 2.9238 2.9238 2.9493 2.9493 3.1555 3.1555 3.3285 3.3285 3.3495 3.3495 7.1645 7.1645 8.2425 8.2425 8.2656 8.2656 9.0733 9.0733 10.5186 10.5186 10.5326 10.5326 11.0468 11.0468 13.1704 13.1704 13.5101 13.5101 k = 0.3056 0.5000 0.5125 ( 3372 PWs) bands (ev): 1.9125 1.9125 1.9322 1.9322 1.9404 1.9404 1.9789 1.9789 2.0904 2.0904 2.1312 2.1312 2.6631 2.6631 2.6972 2.6972 2.8319 2.8319 2.8612 2.8612 2.9250 2.9250 2.9486 2.9486 3.1671 3.1671 3.3423 3.3423 3.3609 3.3609 7.2512 7.2512 8.2767 8.2767 8.3005 8.3005 9.1481 9.1481 10.4638 10.4638 10.4800 10.4800 10.8868 10.8868 13.1850 13.1850 13.5074 13.5074 k = 0.3194 0.5000 0.5125 ( 3372 PWs) bands (ev): 1.9028 1.9028 1.9253 1.9253 1.9323 1.9323 1.9713 1.9713 2.0882 2.0882 2.1279 2.1279 2.6583 2.6583 2.6969 2.6969 2.8329 2.8329 2.8627 2.8627 2.9263 2.9263 2.9480 2.9480 3.1781 3.1781 3.3555 3.3555 3.3718 3.3718 7.3412 7.3412 8.3110 8.3110 8.3368 8.3368 9.2234 9.2234 10.4074 10.4074 10.4285 10.4285 10.7281 10.7281 13.1991 13.1991 13.5025 13.5025 k = 0.3333 0.5000 0.5125 ( 3376 PWs) bands (ev): 1.8936 1.8936 1.9187 1.9187 1.9246 1.9246 1.9638 1.9638 2.0863 2.0863 2.1247 2.1247 2.6540 2.6540 2.6967 2.6967 2.8336 2.8336 2.8639 2.8639 2.9279 2.9279 2.9474 2.9474 3.1884 3.1884 3.3680 3.3680 3.3821 3.3821 7.4344 7.4344 8.3450 8.3450 8.3744 8.3744 9.2987 9.2987 10.3502 10.3502 10.3779 10.3779 10.5709 10.5709 13.2126 13.2126 13.4950 13.4950 k = 0.3472 0.5000 0.5125 ( 3380 PWs) bands (ev): 1.8850 1.8850 1.9125 1.9125 1.9173 1.9173 1.9567 1.9567 2.0846 2.0846 2.1218 2.1218 2.6500 2.6500 2.6965 2.6965 2.8342 2.8342 2.8649 2.8649 2.9295 2.9295 2.9468 2.9468 3.1980 3.1980 3.3796 3.3796 3.3916 3.3916 7.5307 7.5307 8.3787 8.3787 8.4128 8.4128 9.3731 9.3731 10.2931 10.2931 10.3281 10.3281 10.4154 10.4154 13.2253 13.2253 13.4848 13.4848 k = 0.3611 0.5000 0.5125 ( 3376 PWs) bands (ev): 1.8771 1.8771 1.9066 1.9066 1.9106 1.9106 1.9501 1.9501 2.0830 2.0830 2.1191 2.1191 2.6465 2.6465 2.6965 2.6965 2.8347 2.8347 2.8659 2.8659 2.9312 2.9312 2.9462 2.9462 3.2070 3.2070 3.3905 3.3905 3.4005 3.4005 7.6299 7.6299 8.4119 8.4119 8.4516 8.4516 9.4461 9.4461 10.2365 10.2365 10.2617 10.2617 10.2799 10.2799 13.2372 13.2372 13.4716 13.4716 k = 0.3750 0.5000 0.5125 ( 3368 PWs) bands (ev): 1.8698 1.8698 1.9012 1.9012 1.9044 1.9044 1.9439 1.9439 2.0818 2.0818 2.1167 2.1167 2.6434 2.6434 2.6967 2.6967 2.8352 2.8352 2.8667 2.8667 2.9330 2.9330 2.9458 2.9458 3.2152 3.2152 3.4005 3.4005 3.4086 3.4086 7.7320 7.7320 8.4442 8.4442 8.4902 8.4902 9.5168 9.5168 10.1099 10.1099 10.1821 10.1821 10.2330 10.2330 13.2479 13.2479 13.4557 13.4557 k = 0.3889 0.5000 0.5125 ( 3372 PWs) bands (ev): 1.8632 1.8632 1.8962 1.8962 1.8987 1.8987 1.9382 1.9382 2.0806 2.0806 2.1144 2.1144 2.6405 2.6405 2.6967 2.6967 2.8355 2.8355 2.8673 2.8673 2.9346 2.9346 2.9453 2.9453 3.2225 3.2225 3.4094 3.4094 3.4159 3.4159 7.8368 7.8368 8.4754 8.4754 8.5281 8.5281 9.5842 9.5842 9.9608 9.9608 10.1291 10.1291 10.1886 10.1886 13.2573 13.2573 13.4373 13.4373 k = 0.4028 0.5000 0.5125 ( 3372 PWs) bands (ev): 1.8573 1.8573 1.8917 1.8917 1.8937 1.8937 1.9331 1.9331 2.0796 2.0796 2.1125 2.1125 2.6381 2.6381 2.6968 2.6968 2.8357 2.8357 2.8678 2.8678 2.9362 2.9362 2.9450 2.9450 3.2291 3.2291 3.4174 3.4174 3.4224 3.4224 7.9440 7.9440 8.5049 8.5049 8.5647 8.5647 9.6474 9.6474 9.8142 9.8142 10.0790 10.0790 10.1470 10.1470 13.2651 13.2651 13.4173 13.4173 k = 0.4167 0.5000 0.5125 ( 3380 PWs) bands (ev): 1.8520 1.8520 1.8877 1.8877 1.8892 1.8892 1.9285 1.9285 2.0787 2.0787 2.1107 2.1107 2.6360 2.6360 2.6969 2.6969 2.8358 2.8358 2.8682 2.8682 2.9375 2.9375 2.9447 2.9447 3.2347 3.2347 3.4243 3.4243 3.4280 3.4280 8.0534 8.0534 8.5324 8.5324 8.5992 8.5992 9.6705 9.6705 9.7052 9.7052 10.0326 10.0326 10.1090 10.1090 13.2708 13.2708 13.3968 13.3968 k = 0.4306 0.5000 0.5125 ( 3380 PWs) bands (ev): 1.8476 1.8476 1.8843 1.8843 1.8854 1.8854 1.9246 1.9246 2.0779 2.0779 2.1093 2.1093 2.6342 2.6342 2.6970 2.6970 2.8359 2.8359 2.8685 2.8685 2.9387 2.9387 2.9446 2.9446 3.2396 3.2396 3.4303 3.4303 3.4328 3.4328 8.1644 8.1644 8.5572 8.5572 8.6308 8.6308 9.5303 9.5303 9.7566 9.7566 9.9909 9.9909 10.0752 10.0752 13.2739 13.2739 13.3777 13.3777 k = 0.4444 0.5000 0.5125 ( 3372 PWs) bands (ev): 1.8440 1.8440 1.8815 1.8815 1.8823 1.8823 1.9215 1.9215 2.0774 2.0774 2.1081 2.1081 2.6328 2.6328 2.6972 2.6972 2.8360 2.8360 2.8689 2.8689 2.9397 2.9397 2.9446 2.9446 3.2437 3.2437 3.4352 3.4352 3.4369 3.4369 8.2761 8.2761 8.5788 8.5788 8.6587 8.6587 9.3944 9.3944 9.8004 9.8004 9.9547 9.9547 10.0463 10.0463 13.2736 13.2736 13.3618 13.3618 k = 0.4583 0.5000 0.5125 ( 3368 PWs) bands (ev): 1.8413 1.8413 1.8793 1.8793 1.8799 1.8799 1.9190 1.9190 2.0768 2.0768 2.1072 2.1072 2.6317 2.6317 2.6973 2.6973 2.8361 2.8361 2.8691 2.8691 2.9404 2.9404 2.9446 2.9446 3.2469 3.2469 3.4391 3.4391 3.4401 3.4401 8.3862 8.3862 8.5970 8.5970 8.6818 8.6818 9.2648 9.2648 9.8354 9.8354 9.9255 9.9255 10.0231 10.0231 13.2702 13.2702 13.3507 13.3507 k = 0.4722 0.5000 0.5125 ( 3364 PWs) bands (ev): 1.8392 1.8392 1.8778 1.8778 1.8782 1.8782 1.9172 1.9172 2.0765 2.0765 2.1066 2.1066 2.6309 2.6309 2.6974 2.6974 2.8362 2.8362 2.8692 2.8692 2.9409 2.9409 2.9447 2.9447 3.2492 3.2492 3.4419 3.4419 3.4423 3.4423 8.4892 8.4892 8.6123 8.6123 8.6995 8.6995 9.1457 9.1457 9.8600 9.8600 9.9046 9.9046 10.0061 10.0061 13.2650 13.2650 13.3443 13.3443 k = 0.4861 0.5000 0.5125 ( 3364 PWs) bands (ev): 1.8380 1.8380 1.8768 1.8768 1.8771 1.8771 1.9161 1.9161 2.0763 2.0763 2.1062 2.1062 2.6304 2.6304 2.6974 2.6974 2.8362 2.8362 2.8693 2.8693 2.9411 2.9411 2.9448 2.9448 3.2505 3.2505 3.4435 3.4435 3.4437 3.4437 8.5676 8.5676 8.6295 8.6295 8.7112 8.7112 9.0492 9.0492 9.8720 9.8720 9.8948 9.8948 9.9957 9.9957 13.2605 13.2605 13.3413 13.3413 k = 0.5000 0.5000 0.5125 ( 3360 PWs) bands (ev): 1.8376 1.8376 1.8765 1.8765 1.8768 1.8768 1.9158 1.9158 2.0763 2.0763 2.1060 2.1060 2.6303 2.6303 2.6975 2.6975 2.8362 2.8362 2.8694 2.8694 2.9412 2.9412 2.9448 2.9448 3.2510 3.2510 3.4441 3.4441 3.4442 3.4442 8.5919 8.5919 8.6461 8.6461 8.7159 8.7159 9.0072 9.0072 9.8736 9.8736 9.8939 9.8939 9.9923 9.9923 13.2588 13.2588 13.3404 13.3404 k = 0.5000 0.5000 0.5125 ( 3360 PWs) bands (ev): 1.8376 1.8376 1.8765 1.8765 1.8768 1.8768 1.9158 1.9158 2.0763 2.0763 2.1060 2.1060 2.6303 2.6303 2.6975 2.6975 2.8362 2.8362 2.8694 2.8694 2.9412 2.9412 2.9448 2.9448 3.2510 3.2510 3.4441 3.4441 3.4442 3.4442 8.5919 8.5919 8.6461 8.6461 8.7159 8.7159 9.0072 9.0072 9.8736 9.8736 9.8939 9.8939 9.9923 9.9923 13.2588 13.2588 13.3404 13.3404 k = 0.4902 0.4902 0.5125 ( 3368 PWs) bands (ev): 1.8380 1.8380 1.8767 1.8767 1.8772 1.8772 1.9161 1.9161 2.0763 2.0763 2.1061 2.1061 2.6304 2.6304 2.6974 2.6974 2.8362 2.8362 2.8693 2.8693 2.9411 2.9411 2.9448 2.9448 3.2505 3.2505 3.4434 3.4434 3.4437 3.4437 8.5659 8.5659 8.6316 8.6316 8.7113 8.7113 9.0486 9.0486 9.8732 9.8732 9.8937 9.8937 9.9957 9.9957 13.2605 13.2605 13.3412 13.3412 k = 0.4804 0.4804 0.5125 ( 3368 PWs) bands (ev): 1.8392 1.8392 1.8772 1.8772 1.8787 1.8787 1.9172 1.9172 2.0765 2.0765 2.1065 2.1065 2.6309 2.6309 2.6974 2.6974 2.8361 2.8361 2.8692 2.8692 2.9408 2.9408 2.9447 2.9447 3.2491 3.2491 3.4415 3.4415 3.4427 3.4427 8.4801 8.4801 8.6244 8.6244 8.7001 8.7001 9.1412 9.1412 9.8717 9.8717 9.8933 9.8933 10.0065 10.0065 13.2659 13.2659 13.3435 13.3435 k = 0.4706 0.4706 0.5125 ( 3374 PWs) bands (ev): 1.8412 1.8412 1.8780 1.8780 1.8812 1.8812 1.9189 1.9189 2.0769 2.0769 2.1072 2.1072 2.6317 2.6317 2.6973 2.6973 2.8360 2.8360 2.8691 2.8691 2.9404 2.9404 2.9446 2.9446 3.2468 3.2468 3.4382 3.4382 3.4409 3.4409 8.3676 8.3676 8.6241 8.6241 8.6835 8.6835 9.2502 9.2502 9.8690 9.8690 9.8936 9.8936 10.0257 10.0257 13.2748 13.2748 13.3470 13.3470 k = 0.4608 0.4608 0.5125 ( 3378 PWs) bands (ev): 1.8440 1.8440 1.8791 1.8791 1.8846 1.8846 1.9214 1.9214 2.0773 2.0773 2.1081 2.1081 2.6327 2.6327 2.6971 2.6971 2.8358 2.8358 2.8690 2.8690 2.9398 2.9398 2.9445 2.9445 3.2436 3.2436 3.4339 3.4339 3.4385 3.4385 8.2466 8.2466 8.6216 8.6216 8.6645 8.6645 9.3611 9.3611 9.8652 9.8652 9.8951 9.8951 10.0552 10.0552 13.2872 13.2872 13.3512 13.3512 k = 0.4510 0.4510 0.5125 ( 3382 PWs) bands (ev): 1.8476 1.8476 1.8805 1.8805 1.8890 1.8890 1.9246 1.9246 2.0779 2.0779 2.1092 2.1092 2.6342 2.6342 2.6969 2.6969 2.8355 2.8355 2.8689 2.8689 2.9390 2.9390 2.9444 2.9444 3.2393 3.2393 3.4282 3.4282 3.4354 3.4354 8.1227 8.1227 8.6038 8.6038 8.6551 8.6551 9.4666 9.4666 9.8613 9.8613 9.8978 9.8978 10.0976 10.0976 13.3030 13.3030 13.3556 13.3556 k = 0.4412 0.4412 0.5125 ( 3372 PWs) bands (ev): 1.8519 1.8519 1.8823 1.8823 1.8944 1.8944 1.9286 1.9286 2.0786 2.0786 2.1107 2.1107 2.6360 2.6360 2.6966 2.6966 2.8351 2.8351 2.8691 2.8691 2.9381 2.9381 2.9445 2.9445 3.2342 3.2342 3.4216 3.4216 3.4319 3.4319 7.9982 7.9982 8.5671 8.5671 8.6586 8.6586 9.5615 9.5615 9.8584 9.8584 9.9017 9.9017 10.1559 10.1559 13.3222 13.3222 13.3596 13.3596 k = 0.4314 0.4314 0.5125 ( 3372 PWs) bands (ev): 1.8570 1.8570 1.8842 1.8842 1.9005 1.9005 1.9332 1.9332 2.0794 2.0794 2.1123 2.1123 2.6382 2.6382 2.6962 2.6962 2.8343 2.8343 2.8694 2.8694 2.9370 2.9370 2.9446 2.9446 3.2280 3.2280 3.4138 3.4138 3.4279 3.4279 7.8745 7.8745 8.5188 8.5188 8.6674 8.6674 9.6426 9.6426 9.8577 9.8577 9.9066 9.9066 10.2324 10.2324 13.3448 13.3448 13.3628 13.3628 k = 0.4216 0.4216 0.5125 ( 3376 PWs) bands (ev): 1.8627 1.8627 1.8865 1.8865 1.9074 1.9074 1.9384 1.9384 2.0803 2.0803 2.1142 2.1142 2.6407 2.6407 2.6957 2.6957 2.8332 2.8332 2.8698 2.8698 2.9358 2.9358 2.9448 2.9448 3.2206 3.2206 3.4049 3.4049 3.4235 3.4235 7.7520 7.7520 8.4617 8.4617 8.6790 8.6790 9.7090 9.7090 9.8600 9.8600 9.9126 9.9126 10.3268 10.3268 13.3647 13.3647 13.3707 13.3707 k = 0.4118 0.4118 0.5125 ( 3376 PWs) bands (ev): 1.8690 1.8690 1.8890 1.8890 1.9151 1.9151 1.9443 1.9443 2.0813 2.0813 2.1162 2.1162 2.6436 2.6436 2.6950 2.6950 2.8317 2.8317 2.8706 2.8706 2.9346 2.9346 2.9452 2.9452 3.2122 3.2122 3.3952 3.3952 3.4188 3.4188 7.6314 7.6314 8.3969 8.3969 8.6928 8.6928 9.7627 9.7627 9.8660 9.8660 9.9197 9.9197 10.4367 10.4367 13.3654 13.3654 13.3995 13.3995 k = 0.4020 0.4020 0.5125 ( 3368 PWs) bands (ev): 1.8760 1.8760 1.8918 1.8918 1.9234 1.9234 1.9507 1.9507 2.0825 2.0825 2.1185 2.1185 2.6469 2.6469 2.6942 2.6942 2.8299 2.8299 2.8717 2.8717 2.9334 2.9334 2.9458 2.9458 3.2027 3.2027 3.3847 3.3847 3.4138 3.4138 7.5128 7.5128 8.3250 8.3250 8.7087 8.7087 9.8068 9.8068 9.8763 9.8763 9.9281 9.9281 10.5583 10.5583 13.3645 13.3645 13.4313 13.4313 k = 0.3922 0.3922 0.5125 ( 3364 PWs) bands (ev): 1.8834 1.8834 1.8948 1.8948 1.9322 1.9322 1.9577 1.9577 2.0837 2.0837 2.1208 2.1208 2.6507 2.6507 2.6932 2.6932 2.8276 2.8276 2.8730 2.8730 2.9322 2.9322 2.9467 2.9467 3.1921 3.1921 3.3735 3.3735 3.4088 3.4088 7.3965 7.3965 8.2468 8.2468 8.7264 8.7264 9.8443 9.8443 9.8908 9.8908 9.9379 9.9379 10.6884 10.6884 13.3620 13.3620 13.4660 13.4660 k = 0.3824 0.3824 0.5125 ( 3362 PWs) bands (ev): 1.8911 1.8911 1.8982 1.8982 1.9416 1.9416 1.9651 1.9651 2.0850 2.0850 2.1233 2.1233 2.6548 2.6548 2.6920 2.6920 2.8250 2.8250 2.8745 2.8745 2.9309 2.9309 2.9478 2.9478 3.1803 3.1803 3.3615 3.3615 3.4036 3.4036 7.2828 7.2828 8.1632 8.1632 8.7460 8.7460 9.8773 9.8773 9.9091 9.9091 9.9499 9.9499 10.8242 10.8242 13.3579 13.3579 13.5035 13.5035 k = 0.3725 0.3725 0.5125 ( 3370 PWs) bands (ev): 1.8983 1.8983 1.9026 1.9026 1.9514 1.9514 1.9727 1.9727 2.0864 2.0864 2.1258 2.1258 2.6593 2.6593 2.6905 2.6905 2.8219 2.8219 2.8761 2.8761 2.9296 2.9297 2.9492 2.9492 3.1673 3.1673 3.3488 3.3488 3.3983 3.3983 7.1718 7.1718 8.0749 8.0749 8.7674 8.7674 9.9073 9.9073 9.9297 9.9297 9.9656 9.9656 10.9638 10.9638 13.3523 13.3523 13.5435 13.5435 k = 0.3627 0.3627 0.5125 ( 3372 PWs) bands (ev): 1.9032 1.9032 1.9097 1.9097 1.9616 1.9616 1.9807 1.9807 2.0879 2.0879 2.1282 2.1282 2.6641 2.6641 2.6890 2.6890 2.8186 2.8186 2.8779 2.8779 2.9285 2.9285 2.9510 2.9510 3.1534 3.1534 3.3356 3.3356 3.3931 3.3931 7.0635 7.0635 7.9827 7.9827 8.7908 8.7908 9.9348 9.9348 9.9506 9.9506 9.9876 9.9876 11.1061 11.1061 13.3452 13.3452 13.5859 13.5859 k = 0.3529 0.3529 0.5125 ( 3368 PWs) bands (ev): 1.9071 1.9071 1.9184 1.9184 1.9722 1.9722 1.9890 1.9890 2.0896 2.0896 2.1307 2.1307 2.6691 2.6691 2.6875 2.6875 2.8151 2.8151 2.8797 2.8797 2.9275 2.9275 2.9533 2.9533 3.1387 3.1387 3.3221 3.3221 3.3880 3.3880 6.9582 6.9582 7.8875 7.8875 8.8161 8.8161 9.9578 9.9578 9.9729 9.9729 10.0174 10.0174 11.2499 11.2499 13.3367 13.3367 13.6305 13.6305 k = 0.3431 0.3431 0.5125 ( 3372 PWs) bands (ev): 1.9108 1.9108 1.9275 1.9275 1.9830 1.9830 1.9972 1.9972 2.0915 2.0915 2.1330 2.1330 2.6738 2.6738 2.6865 2.6865 2.8112 2.8112 2.8815 2.8815 2.9266 2.9266 2.9560 2.9560 3.1230 3.1230 3.3082 3.3082 3.3829 3.3829 6.8559 6.8559 7.7899 7.7899 8.8433 8.8433 9.9756 9.9756 9.9981 9.9981 10.0542 10.0542 11.3947 11.3947 13.3271 13.3271 13.6772 13.6772 k = 0.3333 0.3333 0.5125 ( 3372 PWs) bands (ev): 1.9145 1.9145 1.9368 1.9368 1.9940 1.9940 2.0054 2.0054 2.0935 2.0935 2.1351 2.1351 2.6767 2.6767 2.6874 2.6874 2.8073 2.8073 2.8832 2.8832 2.9258 2.9258 2.9592 2.9592 3.1068 3.1068 3.2940 3.2940 3.3781 3.3781 6.7566 6.7566 7.6906 7.6906 8.8724 8.8724 9.9916 9.9916 10.0242 10.0242 10.0971 10.0971 11.5400 11.5400 13.3163 13.3163 13.7256 13.7256 k = 0.3235 0.3235 0.5125 ( 3368 PWs) bands (ev): 1.9182 1.9182 1.9462 1.9462 2.0052 2.0052 2.0135 2.0135 2.0959 2.0959 2.1370 2.1370 2.6764 2.6764 2.6915 2.6915 2.8032 2.8032 2.8848 2.8848 2.9253 2.9253 2.9629 2.9629 3.0902 3.0902 3.2797 3.2797 3.3734 3.3734 6.6605 6.6605 7.5902 7.5902 8.9036 8.9036 10.0073 10.0073 10.0501 10.0501 10.1453 10.1453 11.6853 11.6853 13.3045 13.3045 13.7757 13.7757 k = 0.3137 0.3137 0.5125 ( 3370 PWs) bands (ev): 1.9218 1.9218 1.9555 1.9555 2.0163 2.0163 2.0215 2.0215 2.0986 2.0986 2.1386 2.1386 2.6745 2.6745 2.6973 2.6973 2.7990 2.7990 2.8862 2.8862 2.9249 2.9249 2.9670 2.9670 3.0735 3.0735 3.2652 3.2652 3.3689 3.3689 6.5676 6.5676 7.4892 7.4892 8.9367 8.9367 10.0235 10.0235 10.0758 10.0758 10.1985 10.1985 11.8304 11.8304 13.2919 13.2919 13.8272 13.8272 k = 0.3039 0.3039 0.5125 ( 3376 PWs) bands (ev): 1.9255 1.9255 1.9647 1.9647 2.0263 2.0263 2.0300 2.0300 2.1015 2.1015 2.1398 2.1398 2.6720 2.6720 2.7034 2.7034 2.7948 2.7948 2.8873 2.8873 2.9248 2.9248 2.9715 2.9715 3.0569 3.0569 3.2507 3.2507 3.3645 3.3645 6.4779 6.4779 7.3882 7.3882 8.9719 8.9719 10.0401 10.0401 10.1010 10.1010 10.2564 10.2564 11.9751 11.9751 13.2785 13.2785 13.8799 13.8799 k = 0.2941 0.2941 0.5125 ( 3376 PWs) bands (ev): 1.9291 1.9291 1.9739 1.9739 2.0340 2.0340 2.0402 2.0402 2.1049 2.1049 2.1407 2.1407 2.6692 2.6692 2.7096 2.7096 2.7907 2.7907 2.8881 2.8881 2.9249 2.9249 2.9760 2.9760 3.0414 3.0414 3.2364 3.2364 3.3605 3.3605 6.3915 6.3915 7.2875 7.2875 9.0091 9.0091 10.0575 10.0575 10.1257 10.1257 10.3188 10.3188 12.1192 12.1192 13.2645 13.2645 13.9335 13.9335 k = 0.2843 0.2843 0.5125 ( 3376 PWs) bands (ev): 1.9326 1.9326 1.9828 1.9828 2.0403 2.0403 2.0509 2.0509 2.1088 2.1088 2.1413 2.1413 2.6662 2.6662 2.7155 2.7155 2.7866 2.7866 2.8886 2.8886 2.9251 2.9251 2.9795 2.9795 3.0280 3.0280 3.2222 3.2222 3.3566 3.3566 6.3083 6.3083 7.1876 7.1876 9.0484 9.0484 10.0755 10.0755 10.1499 10.1499 10.3857 10.3857 12.2625 12.2625 13.2500 13.2500 13.9878 13.9878 k = 0.2745 0.2745 0.5125 ( 3384 PWs) bands (ev): 1.9359 1.9359 1.9914 1.9914 2.0459 2.0459 2.0613 2.0613 2.1132 2.1132 2.1413 2.1413 2.6630 2.6630 2.7209 2.7209 2.7826 2.7826 2.8887 2.8887 2.9254 2.9254 2.9801 2.9801 3.0192 3.0192 3.2082 3.2082 3.3529 3.3529 6.2285 6.2285 7.0888 7.0888 9.0897 9.0897 10.0943 10.0943 10.1736 10.1736 10.4569 10.4569 12.4049 12.4049 13.2351 13.2351 14.0424 14.0424 k = 0.2647 0.2647 0.5125 ( 3384 PWs) bands (ev): 1.9391 1.9391 1.9997 1.9997 2.0509 2.0509 2.0711 2.0711 2.1180 2.1180 2.1410 2.1410 2.6598 2.6598 2.7256 2.7256 2.7788 2.7788 2.8883 2.8883 2.9255 2.9255 2.9757 2.9757 3.0177 3.0177 3.1948 3.1948 3.3497 3.3497 6.1520 6.1520 6.9914 6.9914 9.1331 9.1331 10.1136 10.1136 10.1966 10.1966 10.5323 10.5323 12.5464 12.5464 13.2201 13.2201 14.0973 14.0973 k = 0.2549 0.2549 0.5125 ( 3396 PWs) bands (ev): 1.9421 1.9421 2.0075 2.0075 2.0552 2.0552 2.0801 2.0801 2.1233 2.1233 2.1404 2.1404 2.6563 2.6563 2.7294 2.7294 2.7752 2.7752 2.8874 2.8874 2.9251 2.9251 2.9681 2.9681 3.0218 3.0218 3.1819 3.1819 3.3468 3.3468 6.0787 6.0787 6.8956 6.8956 9.1785 9.1785 10.1337 10.1337 10.2190 10.2190 10.6117 10.6117 12.6867 12.6867 13.2053 13.2053 14.1520 14.1520 k = 0.2451 0.2451 0.5125 ( 3392 PWs) bands (ev): 1.9450 1.9450 2.0148 2.0148 2.0590 2.0590 2.0883 2.0883 2.1289 2.1289 2.1398 2.1398 2.6530 2.6530 2.7324 2.7324 2.7716 2.7716 2.8858 2.8858 2.9236 2.9236 2.9612 2.9612 3.0288 3.0288 3.1699 3.1699 3.3443 3.3443 6.0088 6.0088 6.8018 6.8018 9.2260 9.2260 10.1542 10.1542 10.2408 10.2408 10.6951 10.6951 12.8253 12.8253 13.1911 13.1911 14.2063 14.2063 k = 0.2353 0.2353 0.5125 ( 3400 PWs) bands (ev): 1.9476 1.9476 2.0214 2.0214 2.0623 2.0623 2.0954 2.0954 2.1339 2.1339 2.1397 2.1397 2.6496 2.6496 2.7346 2.7346 2.7681 2.7681 2.8833 2.8833 2.9207 2.9207 2.9568 2.9568 3.0369 3.0369 3.1589 3.1589 3.3423 3.3423 5.9422 5.9422 6.7101 6.7101 9.2755 9.2755 10.1753 10.1753 10.2617 10.2617 10.7822 10.7822 12.9604 12.9604 13.1797 13.1797 14.2599 14.2599 k = 0.2255 0.2255 0.5125 ( 3408 PWs) bands (ev): 1.9499 1.9499 2.0272 2.0272 2.0653 2.0653 2.1013 2.1013 2.1360 2.1360 2.1428 2.1428 2.6462 2.6462 2.7359 2.7359 2.7646 2.7646 2.8800 2.8800 2.9169 2.9169 2.9549 2.9549 3.0452 3.0452 3.1495 3.1495 3.3407 3.3407 5.8787 5.8787 6.6207 6.6207 9.3270 9.3270 10.1968 10.1968 10.2820 10.2820 10.8729 10.8729 13.0784 13.0784 13.1847 13.1847 14.3126 14.3126 k = 0.2157 0.2157 0.5125 ( 3406 PWs) bands (ev): 1.9521 1.9521 2.0321 2.0321 2.0681 2.0681 2.1062 2.1062 2.1359 2.1359 2.1480 2.1480 2.6428 2.6428 2.7366 2.7366 2.7613 2.7613 2.8760 2.8760 2.9133 2.9133 2.9547 2.9547 3.0529 3.0529 3.1422 3.1422 3.3398 3.3398 5.8186 5.8186 6.5339 6.5339 9.3805 9.3805 10.2186 10.2186 10.3014 10.3014 10.9670 10.9670 13.1174 13.1174 13.2681 13.2681 14.3640 14.3640 k = 0.2059 0.2059 0.5125 ( 3402 PWs) bands (ev): 1.9540 1.9540 2.0359 2.0359 2.0708 2.0708 2.1100 2.1100 2.1361 2.1361 2.1531 2.1531 2.6395 2.6395 2.7366 2.7366 2.7583 2.7583 2.8714 2.8714 2.9102 2.9102 2.9552 2.9552 3.0593 3.0593 3.1379 3.1379 3.3397 3.3397 5.7616 5.7616 6.4497 6.4497 9.4357 9.4357 10.2407 10.2407 10.3201 10.3201 11.0643 11.0643 13.1108 13.1108 13.3967 13.3967 14.4138 14.4138 k = 0.1961 0.1961 0.5125 ( 3402 PWs) bands (ev): 1.9556 1.9556 2.0384 2.0384 2.0735 2.0735 2.1125 2.1125 2.1367 2.1367 2.1577 2.1577 2.6361 2.6361 2.7360 2.7360 2.7561 2.7561 2.8667 2.8667 2.9078 2.9078 2.9556 2.9556 3.0635 3.0635 3.1371 3.1371 3.3403 3.3403 5.7077 5.7077 6.3684 6.3684 9.4928 9.4928 10.2628 10.2628 10.3381 10.3381 11.1644 11.1644 13.0980 13.0980 13.5313 13.5313 14.4616 14.4616 k = 0.1863 0.1863 0.5125 ( 3404 PWs) bands (ev): 1.9567 1.9567 2.0397 2.0397 2.0762 2.0762 2.1142 2.1142 2.1379 2.1379 2.1614 2.1614 2.6326 2.6326 2.7348 2.7348 2.7547 2.7547 2.8620 2.8620 2.9060 2.9060 2.9553 2.9553 3.0653 3.0653 3.1396 3.1396 3.3421 3.3421 5.6569 5.6569 6.2900 6.2900 9.5514 9.5514 10.2849 10.2849 10.3553 10.3553 11.2672 11.2672 13.0839 13.0839 13.6671 13.6671 14.5065 14.5065 k = 0.1765 0.1765 0.5125 ( 3400 PWs) bands (ev): 1.9576 1.9576 2.0399 2.0399 2.0789 2.0789 2.1154 2.1154 2.1395 2.1395 2.1643 2.1643 2.6291 2.6291 2.7334 2.7334 2.7544 2.7544 2.8576 2.8576 2.9047 2.9047 2.9543 2.9543 3.0656 3.0656 3.1452 3.1452 3.3447 3.3447 5.6092 5.6092 6.2147 6.2147 9.6116 9.6116 10.3068 10.3068 10.3718 10.3718 11.3721 11.3721 13.0695 13.0695 13.8031 13.8031 14.5466 14.5466 k = 0.1667 0.1667 0.5125 ( 3404 PWs) bands (ev): 1.9581 1.9581 2.0389 2.0389 2.0815 2.0815 2.1164 2.1164 2.1413 2.1413 2.1660 2.1660 2.6255 2.6255 2.7322 2.7322 2.7550 2.7550 2.8534 2.8534 2.9035 2.9035 2.9522 2.9522 3.0651 3.0651 3.1521 3.1521 3.3484 3.3484 5.5645 5.5645 6.1426 6.1426 9.6730 9.6730 10.3282 10.3282 10.3878 10.3878 11.4789 11.4789 13.0553 13.0553 13.9388 13.9388 14.5379 14.5379 k = 0.1569 0.1569 0.5125 ( 3400 PWs) bands (ev): 1.9581 1.9581 2.0370 2.0370 2.0839 2.0839 2.1175 2.1175 2.1430 2.1430 2.1669 2.1669 2.6219 2.6219 2.7315 2.7315 2.7562 2.7562 2.8496 2.8496 2.9026 2.9026 2.9490 2.9490 3.0648 3.0648 3.1598 3.1598 3.3533 3.3533 5.5228 5.5228 6.0739 6.0739 9.7355 9.7355 10.3490 10.3490 10.4033 10.4033 11.5869 11.5869 13.0414 13.0414 14.0740 14.0740 14.4689 14.4689 k = 0.1471 0.1471 0.5125 ( 3404 PWs) bands (ev): 1.9577 1.9577 2.0344 2.0344 2.0861 2.0861 2.1186 2.1186 2.1445 2.1445 2.1668 2.1668 2.6181 2.6181 2.7316 2.7316 2.7581 2.7581 2.8459 2.8459 2.9018 2.9018 2.9448 2.9448 3.0649 3.0649 3.1674 3.1674 3.3592 3.3592 5.4839 5.4839 6.0086 6.0086 9.7988 9.7988 10.3688 10.3688 10.4185 10.4185 11.6956 11.6956 13.0279 13.0279 14.2070 14.2070 14.3986 14.3986 k = 0.1373 0.1373 0.5125 ( 3404 PWs) bands (ev): 1.9569 1.9569 2.0313 2.0313 2.0883 2.0883 2.1199 2.1199 2.1458 2.1458 2.1660 2.1660 2.6142 2.6142 2.7325 2.7325 2.7604 2.7604 2.8426 2.8426 2.9009 2.9009 2.9399 2.9399 3.0654 3.0654 3.1746 3.1746 3.3661 3.3661 5.4479 5.4479 5.9468 5.9468 9.8626 9.8626 10.3873 10.3873 10.4337 10.4337 11.8043 11.8043 13.0150 13.0150 14.3008 14.3008 14.3641 14.3641 k = 0.1275 0.1275 0.5125 ( 3410 PWs) bands (ev): 1.9557 1.9557 2.0278 2.0278 2.0902 2.0902 2.1212 2.1212 2.1466 2.1466 2.1646 2.1646 2.6103 2.6103 2.7342 2.7342 2.7630 2.7630 2.8395 2.8395 2.8999 2.8999 2.9346 2.9346 3.0664 3.0664 3.1813 3.1813 3.3741 3.3741 5.4146 5.4146 5.8886 5.8886 9.9264 9.9264 10.4042 10.4042 10.4491 10.4491 11.9124 11.9124 13.0028 13.0028 14.2407 14.2407 14.4765 14.4765 k = 0.1176 0.1176 0.5125 ( 3406 PWs) bands (ev): 1.9541 1.9541 2.0243 2.0243 2.0921 2.0921 2.1226 2.1226 2.1472 2.1472 2.1627 2.1627 2.6065 2.6065 2.7366 2.7366 2.7661 2.7661 2.8367 2.8367 2.8987 2.8987 2.9292 2.9292 3.0677 3.0677 3.1873 3.1873 3.3827 3.3827 5.3841 5.3841 5.8342 5.8342 9.9899 9.9899 10.4193 10.4193 10.4646 10.4646 12.0188 12.0188 12.9912 12.9912 14.1665 14.1665 14.5662 14.5662 k = 0.1078 0.1078 0.5125 ( 3410 PWs) bands (ev): 1.9521 1.9521 2.0208 2.0208 2.0939 2.0939 2.1239 2.1239 2.1475 2.1475 2.1605 2.1605 2.6029 2.6029 2.7394 2.7394 2.7695 2.7695 2.8341 2.8341 2.8970 2.8970 2.9241 2.9241 3.0690 3.0690 3.1926 3.1926 3.3914 3.3914 5.3563 5.3563 5.7837 5.7837 10.0523 10.0523 10.4327 10.4327 10.4803 10.4803 12.1228 12.1228 12.9803 12.9803 14.0915 14.0915 14.5931 14.5931 k = 0.0980 0.0980 0.5125 ( 3418 PWs) bands (ev): 1.9498 1.9498 2.0173 2.0173 2.0956 2.0956 2.1249 2.1249 2.1473 2.1473 2.1582 2.1582 2.5993 2.5993 2.7426 2.7426 2.7731 2.7731 2.8318 2.8318 2.8947 2.8947 2.9197 2.9197 3.0705 3.0705 3.1974 3.1974 3.4004 3.4004 5.3311 5.3311 5.7371 5.7371 10.1132 10.1132 10.4446 10.4446 10.4958 10.4958 12.2231 12.2231 12.9703 12.9703 14.0173 14.0173 14.6076 14.6076 k = 0.0882 0.0882 0.5125 ( 3414 PWs) bands (ev): 1.9473 1.9473 2.0141 2.0141 2.0974 2.0974 2.1259 2.1259 2.1469 2.1469 2.1560 2.1560 2.5961 2.5961 2.7459 2.7459 2.7769 2.7769 2.8299 2.8299 2.8915 2.8915 2.9163 2.9163 3.0719 3.0719 3.2016 3.2016 3.4094 3.4094 5.3084 5.3084 5.6946 5.6946 10.1718 10.1718 10.4553 10.4553 10.5108 10.5108 12.3187 12.3187 12.9611 12.9611 13.9450 13.9450 14.6221 14.6221 k = 0.0784 0.0784 0.5125 ( 3410 PWs) bands (ev): 1.9447 1.9447 2.0112 2.0112 2.0992 2.0992 2.1266 2.1266 2.1461 2.1461 2.1540 2.1540 2.5931 2.5931 2.7492 2.7492 2.7807 2.7807 2.8282 2.8282 2.8878 2.8878 2.9139 2.9139 3.0732 3.0732 3.2055 3.2055 3.4179 3.4179 5.2883 5.2883 5.6562 5.6562 10.2270 10.2270 10.4651 10.4651 10.5251 10.5251 12.4083 12.4083 12.9528 12.9528 13.8756 13.8756 14.6378 14.6379 k = 0.0686 0.0686 0.5125 ( 3402 PWs) bands (ev): 1.9420 1.9420 2.0087 2.0087 2.1010 2.1010 2.1272 2.1272 2.1450 2.1450 2.1523 2.1523 2.5906 2.5906 2.7523 2.7523 2.7845 2.7845 2.8270 2.8270 2.8836 2.8836 2.9122 2.9122 3.0745 3.0745 3.2089 3.2089 3.4261 3.4261 5.2707 5.2707 5.6221 5.6221 10.2780 10.2780 10.4744 10.4744 10.5382 10.5382 12.4908 12.4908 12.9454 12.9454 13.8103 13.8103 14.6548 14.6548 k = 0.0588 0.0588 0.5125 ( 3406 PWs) bands (ev): 1.9393 1.9393 2.0064 2.0064 2.1027 2.1027 2.1273 2.1273 2.1437 2.1437 2.1510 2.1510 2.5883 2.5883 2.7551 2.7551 2.7879 2.7879 2.8261 2.8261 2.8793 2.8793 2.9110 2.9110 3.0754 3.0754 3.2117 3.2117 3.4334 3.4334 5.2555 5.2555 5.5923 5.5923 10.3233 10.3233 10.4838 10.4838 10.5500 10.5500 12.5649 12.5649 12.9389 12.9389 13.7503 13.7503 14.6722 14.6722 k = 0.0490 0.0490 0.5125 ( 3410 PWs) bands (ev): 1.9368 1.9368 2.0044 2.0044 2.1043 2.1043 2.1272 2.1272 2.1423 2.1423 2.1500 2.1500 2.5864 2.5864 2.7575 2.7575 2.7910 2.7910 2.8254 2.8254 2.8752 2.8752 2.9101 2.9101 3.0762 3.0762 3.2143 3.2143 3.4398 3.4398 5.2427 5.2427 5.5669 5.5669 10.3618 10.3618 10.4936 10.4936 10.5604 10.5604 12.6296 12.6296 12.9334 12.9334 13.6967 13.6967 14.6891 14.6891 k = 0.0392 0.0392 0.5125 ( 3406 PWs) bands (ev): 1.9346 1.9346 2.0029 2.0029 2.1059 2.1059 2.1269 2.1269 2.1410 2.1410 2.1493 2.1493 2.5848 2.5848 2.7597 2.7597 2.7935 2.7935 2.8252 2.8252 2.8716 2.8716 2.9095 2.9095 3.0769 3.0769 3.2164 3.2164 3.4455 3.4455 5.2323 5.2323 5.5460 5.5460 10.3921 10.3921 10.5043 10.5043 10.5692 10.5692 12.6839 12.6839 12.9289 12.9289 13.6508 13.6508 14.7044 14.7044 k = 0.0294 0.0294 0.5125 ( 3418 PWs) bands (ev): 1.9328 1.9328 2.0015 2.0015 2.1072 2.1072 2.1264 2.1264 2.1400 2.1400 2.1487 2.1487 2.5835 2.5835 2.7613 2.7613 2.7955 2.7955 2.8251 2.8251 2.8686 2.8686 2.9090 2.9090 3.0772 3.0772 3.2180 3.2180 3.4496 3.4496 5.2242 5.2242 5.5297 5.5297 10.4137 10.4137 10.5154 10.5154 10.5764 10.5764 12.7269 12.7269 12.9254 12.9254 13.6138 13.6138 14.7171 14.7171 k = 0.0196 0.0196 0.5125 ( 3410 PWs) bands (ev): 1.9316 1.9316 2.0006 2.0006 2.1084 2.1084 2.1260 2.1260 2.1392 2.1392 2.1483 2.1483 2.5827 2.5827 2.7627 2.7627 2.7969 2.7969 2.8252 2.8252 2.8665 2.8665 2.9088 2.9088 3.0775 3.0775 3.2195 3.2195 3.4528 3.4528 5.2185 5.2185 5.5180 5.5180 10.4276 10.4276 10.5254 10.5254 10.5817 10.5817 12.7580 12.7580 12.9229 12.9229 13.5865 13.5865 14.7266 14.7266 k = 0.0098 0.0098 0.5125 ( 3410 PWs) bands (ev): 1.9307 1.9307 2.0001 2.0001 2.1091 2.1091 2.1256 2.1256 2.1387 2.1387 2.1481 2.1481 2.5821 2.5821 2.7634 2.7634 2.7977 2.7977 2.8254 2.8254 2.8651 2.8651 2.9087 2.9087 3.0777 3.0777 3.2202 3.2202 3.4547 3.4547 5.2150 5.2150 5.5110 5.5110 10.4350 10.4350 10.5325 10.5325 10.5850 10.5850 12.7769 12.7769 12.9214 12.9214 13.5699 13.5699 14.7325 14.7325 k = 0.0000 0.0000 0.5125 ( 3418 PWs) bands (ev): 1.9305 1.9305 1.9999 1.9999 2.1094 2.1094 2.1253 2.1253 2.1386 2.1386 2.1480 2.1480 2.5818 2.5818 2.7637 2.7637 2.7979 2.7979 2.8253 2.8253 2.8646 2.8646 2.9086 2.9086 3.0776 3.0776 3.2204 3.2204 3.4553 3.4553 5.2139 5.2139 5.5086 5.5086 10.4373 10.4373 10.5350 10.5350 10.5861 10.5861 12.7832 12.7832 12.9209 12.9209 13.5642 13.5642 14.7344 14.7344 k = 0.0000 0.5000-0.0000 ( 3366 PWs) bands (ev): 1.8621 1.8621 1.9505 1.9505 2.0904 2.0904 2.1222 2.1222 2.1348 2.1348 2.1910 2.1910 2.5592 2.5592 2.7834 2.7834 2.8417 2.8417 2.8561 2.8561 2.8641 2.8641 2.9090 2.9090 3.0726 3.0726 3.2252 3.2252 3.4702 3.4702 5.0760 5.0760 5.4405 5.4405 10.4830 10.4830 10.6471 10.6471 10.6865 10.6865 12.6409 12.6409 12.8818 12.8818 13.7187 13.7187 14.7469 14.7469 k = 0.0000 0.5000 0.0139 ( 3370 PWs) bands (ev): 1.8624 1.8624 1.9508 1.9508 2.0905 2.0905 2.1222 2.1222 2.1349 2.1349 2.1910 2.1910 2.5593 2.5593 2.7829 2.7829 2.8412 2.8412 2.8565 2.8565 2.8642 2.8642 2.9091 2.9091 3.0726 3.0726 3.2248 3.2248 3.4695 3.4695 5.0772 5.0772 5.4428 5.4428 10.4836 10.4836 10.6452 10.6452 10.6820 10.6820 12.6415 12.6415 12.8745 12.8745 13.7241 13.7241 14.7536 14.7536 k = 0.0000 0.5000 0.0277 ( 3378 PWs) bands (ev): 1.8633 1.8633 1.9515 1.9515 2.0906 2.0906 2.1222 2.1222 2.1350 2.1350 2.1909 2.1909 2.5597 2.5597 2.7815 2.7815 2.8397 2.8397 2.8577 2.8577 2.8645 2.8645 2.9096 2.9096 3.0726 3.0726 3.2240 3.2240 3.4674 3.4674 5.0808 5.0808 5.4498 5.4498 10.4853 10.4853 10.6381 10.6381 10.6702 10.6702 12.6433 12.6433 12.8531 12.8531 13.7399 13.7399 14.7717 14.7717 k = 0.0000 0.5000 0.0416 ( 3372 PWs) bands (ev): 1.8648 1.8648 1.9528 1.9528 2.0909 2.0909 2.1225 2.1225 2.1353 2.1353 2.1908 2.1908 2.5606 2.5606 2.7794 2.7794 2.8375 2.8375 2.8595 2.8595 2.8651 2.8651 2.9105 2.9105 3.0727 3.0727 3.2228 3.2228 3.4643 3.4643 5.0868 5.0868 5.4615 5.4615 10.4872 10.4872 10.6210 10.6210 10.6572 10.6572 12.6464 12.6464 12.8189 12.8189 13.7657 13.7657 14.7934 14.7934 k = 0.0000 0.5000 0.0554 ( 3370 PWs) bands (ev): 1.8669 1.8669 1.9547 1.9547 2.0911 2.0911 2.1228 2.1228 2.1358 2.1358 2.1907 2.1907 2.5618 2.5618 2.7767 2.7767 2.8346 2.8346 2.8617 2.8617 2.8660 2.8660 2.9118 2.9118 3.0728 3.0728 3.2210 3.2210 3.4596 3.4596 5.0951 5.0951 5.4777 5.4777 10.4862 10.4862 10.5933 10.5933 10.6470 10.6470 12.6506 12.6506 12.7736 12.7736 13.8010 13.8010 14.7993 14.7993 k = 0.0000 0.5000 0.0693 ( 3370 PWs) bands (ev): 1.8698 1.8698 1.9570 1.9570 2.0912 2.0912 2.1234 2.1234 2.1363 2.1363 2.1905 2.1905 2.5633 2.5633 2.7735 2.7735 2.8311 2.8311 2.8639 2.8639 2.8673 2.8673 2.9135 2.9135 3.0727 3.0727 3.2188 3.2188 3.4535 3.4535 5.1059 5.1059 5.4985 5.4985 10.4733 10.4733 10.5668 10.5668 10.6374 10.6374 12.6561 12.6561 12.7192 12.7192 13.8449 13.8449 14.7628 14.7628 k = 0.0000 0.5000 0.0831 ( 3386 PWs) bands (ev): 1.8730 1.8730 1.9597 1.9597 2.0911 2.0911 2.1243 2.1243 2.1368 2.1368 2.1903 2.1903 2.5652 2.5652 2.7698 2.7698 2.8270 2.8270 2.8660 2.8660 2.8687 2.8687 2.9153 2.9153 3.0726 3.0726 3.2159 3.2159 3.4461 3.4461 5.1190 5.1190 5.5237 5.5237 10.4357 10.4357 10.5563 10.5563 10.6269 10.6269 12.6569 12.6569 12.6634 12.6634 13.8963 13.8963 14.6840 14.6840 k = 0.0000 0.5000 0.0970 ( 3382 PWs) bands (ev): 1.8769 1.8769 1.9630 1.9630 2.0908 2.0908 2.1256 2.1256 2.1375 2.1375 2.1901 2.1901 2.5674 2.5674 2.7661 2.7661 2.8229 2.8229 2.8681 2.8681 2.8702 2.8702 2.9179 2.9179 3.0724 3.0724 3.2128 3.2128 3.4377 3.4377 5.1346 5.1346 5.5534 5.5534 10.3769 10.3769 10.5587 10.5587 10.6157 10.6157 12.5904 12.5904 12.6706 12.6706 13.9542 13.9542 14.5822 14.5822 k = 0.0000 0.5000 0.1108 ( 3386 PWs) bands (ev): 1.8814 1.8814 1.9667 1.9667 2.0901 2.0901 2.1273 2.1273 2.1383 2.1383 2.1898 2.1898 2.5700 2.5700 2.7622 2.7622 2.8185 2.8185 2.8701 2.8701 2.8714 2.8714 2.9211 2.9211 3.0719 3.0719 3.2093 3.2093 3.4279 3.4279 5.1524 5.1524 5.5874 5.5874 10.3055 10.3055 10.5631 10.5631 10.6066 10.6066 12.5195 12.5195 12.6794 12.6794 14.0174 14.0174 14.4700 14.4700 k = 0.0000 0.5000 0.1247 ( 3392 PWs) bands (ev): 1.8864 1.8864 1.9707 1.9707 2.0891 2.0891 2.1291 2.1291 2.1391 2.1391 2.1895 2.1895 2.5730 2.5730 2.7582 2.7582 2.8142 2.8142 2.8718 2.8718 2.8724 2.8724 2.9249 2.9249 3.0712 3.0712 3.2053 3.2053 3.4171 3.4171 5.1727 5.1727 5.6255 5.6255 10.2255 10.2255 10.5573 10.5573 10.6082 10.6082 12.4460 12.4460 12.6893 12.6893 14.0843 14.0843 14.3539 14.3539 k = 0.0000 0.5000 0.1385 ( 3388 PWs) bands (ev): 1.8921 1.8921 1.9751 1.9751 2.0878 2.0878 2.1313 2.1313 2.1402 2.1402 2.1893 2.1893 2.5763 2.5763 2.7543 2.7543 2.8101 2.8101 2.8720 2.8720 2.8746 2.8746 2.9293 2.9293 3.0702 3.0702 3.2011 3.2011 3.4053 3.4053 5.1953 5.1953 5.6678 5.6678 10.1390 10.1390 10.5386 10.5386 10.6215 10.6215 12.3709 12.3709 12.7002 12.7002 14.1527 14.1527 14.2382 14.2382 k = 0.0000 0.5000 0.1524 ( 3386 PWs) bands (ev): 1.8982 1.8982 1.9798 1.9798 2.0863 2.0863 2.1335 2.1335 2.1415 2.1415 2.1890 2.1890 2.5800 2.5800 2.7505 2.7505 2.8062 2.8062 2.8716 2.8716 2.8770 2.8770 2.9343 2.9343 3.0688 3.0688 3.1965 3.1965 3.3925 3.3925 5.2202 5.2202 5.7142 5.7142 10.0472 10.0472 10.5121 10.5121 10.6403 10.6403 12.2951 12.2951 12.7120 12.7120 14.1224 14.1224 14.2232 14.2232 k = 0.0000 0.5000 0.1662 ( 3378 PWs) bands (ev): 1.9048 1.9048 1.9847 1.9847 2.0845 2.0845 2.1354 2.1354 2.1433 2.1433 2.1889 2.1889 2.5841 2.5841 2.7468 2.7468 2.8028 2.8028 2.8707 2.8707 2.8795 2.8795 2.9397 2.9397 3.0671 3.0671 3.1916 3.1916 3.3788 3.3788 5.2475 5.2475 5.7644 5.7644 9.9510 9.9510 10.4794 10.4794 10.6622 10.6622 12.2193 12.2193 12.7246 12.7246 14.0131 14.0131 14.2870 14.2870 k = 0.0000 0.5000 0.1801 ( 3372 PWs) bands (ev): 1.9120 1.9120 1.9897 1.9897 2.0825 2.0825 2.1370 2.1370 2.1455 2.1455 2.1888 2.1888 2.5886 2.5886 2.7433 2.7433 2.7999 2.7999 2.8695 2.8695 2.8820 2.8820 2.9455 2.9455 3.0650 3.0650 3.1864 3.1864 3.3643 3.3643 5.2770 5.2770 5.8185 5.8185 9.8513 9.8513 10.4408 10.4408 10.6861 10.6861 12.1441 12.1441 12.7379 12.7379 13.9091 13.9091 14.3401 14.3401 k = 0.0000 0.5000 0.1939 ( 3376 PWs) bands (ev): 1.9194 1.9194 1.9949 1.9949 2.0803 2.0803 2.1382 2.1382 2.1480 2.1480 2.1886 2.1886 2.5935 2.5935 2.7400 2.7400 2.7974 2.7974 2.8679 2.8679 2.8844 2.8844 2.9514 2.9514 3.0624 3.0624 3.1808 3.1808 3.3491 3.3491 5.3088 5.3088 5.8763 5.8763 9.7488 9.7488 10.3961 10.3961 10.7115 10.7115 12.0699 12.0699 12.7519 12.7519 13.8119 13.8119 14.3722 14.3722 k = 0.0000 0.5000 0.2078 ( 3380 PWs) bands (ev): 1.9272 1.9272 2.0001 2.0001 2.0779 2.0779 2.1392 2.1392 2.1506 2.1506 2.1886 2.1886 2.5987 2.5987 2.7370 2.7370 2.7954 2.7954 2.8662 2.8662 2.8868 2.8868 2.9575 2.9575 3.0594 3.0594 3.1749 3.1749 3.3333 3.3333 5.3428 5.3428 5.9377 5.9377 9.6441 9.6441 10.3450 10.3450 10.7383 10.7383 11.9972 11.9972 12.7663 12.7663 13.7226 13.7226 14.3743 14.3743 k = 0.0000 0.5000 0.2216 ( 3380 PWs) bands (ev): 1.9355 1.9355 2.0053 2.0053 2.0755 2.0755 2.1400 2.1400 2.1533 2.1533 2.1887 2.1887 2.6044 2.6044 2.7344 2.7344 2.7942 2.7942 2.8644 2.8644 2.8891 2.8891 2.9635 2.9635 3.0559 3.0559 3.1689 3.1689 3.3170 3.3170 5.3789 5.3789 6.0026 6.0026 9.5377 9.5377 10.2872 10.2872 10.7662 10.7662 11.9263 11.9263 12.7810 12.7810 13.6418 13.6418 14.3479 14.3479 k = 0.0000 0.5000 0.2355 ( 3388 PWs) bands (ev): 1.9440 1.9440 2.0103 2.0103 2.0729 2.0729 2.1406 2.1406 2.1559 2.1559 2.1889 2.1889 2.6104 2.6104 2.7321 2.7321 2.7936 2.7936 2.8624 2.8624 2.8911 2.8911 2.9693 2.9693 3.0521 3.0521 3.1624 3.1624 3.3001 3.3001 5.4171 5.4171 6.0710 6.0710 9.4302 9.4302 10.2226 10.2226 10.7948 10.7948 11.8574 11.8574 12.7959 12.7959 13.5702 13.5702 14.3034 14.3034 k = 0.0000 0.5000 0.2493 ( 3388 PWs) bands (ev): 1.9527 1.9527 2.0153 2.0153 2.0703 2.0703 2.1413 2.1413 2.1584 2.1584 2.1892 2.1892 2.6168 2.6168 2.7304 2.7304 2.7938 2.7938 2.8606 2.8606 2.8929 2.8929 2.9750 2.9750 3.0478 3.0478 3.1559 3.1559 3.2832 3.2832 5.4573 5.4573 6.1427 6.1427 9.3220 9.3220 10.1513 10.1513 10.8240 10.8240 11.7908 11.7908 12.8107 12.8107 13.5080 13.5080 14.2500 14.2500 k = 0.0000 0.5000 0.2632 ( 3388 PWs) bands (ev): 1.9617 1.9617 2.0201 2.0201 2.0678 2.0678 2.1419 2.1419 2.1606 2.1606 2.1896 2.1896 2.6237 2.6237 2.7292 2.7292 2.7946 2.7946 2.8588 2.8588 2.8944 2.8944 2.9803 2.9803 3.0434 3.0434 3.1491 3.1491 3.2661 3.2661 5.4994 5.4994 6.2176 6.2176 9.2135 9.2135 10.0732 10.0732 10.8536 10.8536 11.7267 11.7267 12.8252 12.8252 13.4553 13.4553 14.1934 14.1934 k = 0.0000 0.5000 0.2771 ( 3392 PWs) bands (ev): 1.9707 1.9707 2.0247 2.0247 2.0652 2.0652 2.1425 2.1425 2.1627 2.1627 2.1899 2.1899 2.6309 2.6309 2.7286 2.7286 2.7962 2.7962 2.8572 2.8572 2.8955 2.8955 2.9849 2.9849 3.0388 3.0388 3.1422 3.1422 3.2490 3.2490 5.5433 5.5433 6.2957 6.2957 9.1053 9.1053 9.9888 9.9888 10.8834 10.8834 11.6653 11.6653 12.8393 12.8393 13.4122 13.4122 14.1365 14.1365 k = 0.0000 0.5000 0.2909 ( 3384 PWs) bands (ev): 1.9798 1.9798 2.0291 2.0291 2.0628 2.0628 2.1431 2.1431 2.1647 2.1647 2.1904 2.1904 2.6385 2.6385 2.7286 2.7286 2.7984 2.7984 2.8558 2.8558 2.8961 2.8961 2.9887 2.9887 3.0345 3.0345 3.1352 3.1352 3.2322 3.2322 5.5889 5.5889 6.3769 6.3769 8.9978 8.9978 9.8982 9.8982 10.9131 10.9131 11.6067 11.6067 12.8526 12.8526 13.3783 13.3783 14.0811 14.0811 k = 0.0000 0.5000 0.3048 ( 3384 PWs) bands (ev): 1.9886 1.9886 2.0333 2.0333 2.0605 2.0605 2.1438 2.1438 2.1665 2.1665 2.1907 2.1907 2.6466 2.6466 2.7292 2.7292 2.8012 2.8012 2.8547 2.8547 2.8961 2.8961 2.9911 2.9911 3.0304 3.0304 3.1280 3.1280 3.2158 3.2158 5.6360 5.6360 6.4611 6.4611 8.8913 8.8913 9.8021 9.8021 10.9425 10.9425 11.5510 11.5510 12.8651 12.8651 13.3532 13.3532 14.0280 14.0280 k = 0.0000 0.5000 0.3186 ( 3384 PWs) bands (ev): 1.9971 1.9971 2.0372 2.0372 2.0584 2.0584 2.1444 2.1444 2.1682 2.1682 2.1909 2.1909 2.6549 2.6549 2.7304 2.7304 2.8045 2.8045 2.8538 2.8538 2.8955 2.8955 2.9916 2.9916 3.0272 3.0272 3.1209 3.1209 3.2001 3.2001 5.6844 5.6844 6.5482 6.5482 8.7863 8.7863 9.7009 9.7009 10.9714 10.9714 11.4985 11.4985 12.8765 12.8765 13.3364 13.3364 13.9776 13.9776 k = 0.0000 0.5000 0.3325 ( 3376 PWs) bands (ev): 2.0051 2.0051 2.0409 2.0409 2.0570 2.0570 2.1450 2.1450 2.1698 2.1698 2.1909 2.1909 2.6637 2.6637 2.7324 2.7324 2.8083 2.8083 2.8535 2.8535 2.8942 2.8942 2.9898 2.9898 3.0251 3.0251 3.1140 3.1140 3.1852 3.1852 5.7339 5.7339 6.6381 6.6381 8.6833 8.6833 9.5952 9.5952 10.9995 10.9995 11.4492 11.4492 12.8869 12.8869 13.3269 13.3269 13.9304 13.9304 k = 0.0000 0.5000 0.3463 ( 3376 PWs) bands (ev): 2.0120 2.0120 2.0439 2.0439 2.0567 2.0567 2.1457 2.1457 2.1713 2.1713 2.1908 2.1908 2.6729 2.6729 2.7348 2.7348 2.8122 2.8122 2.8536 2.8536 2.8921 2.8921 2.9857 2.9857 3.0237 3.0237 3.1073 3.1073 3.1714 3.1714 5.7842 5.7842 6.7307 6.7307 8.5828 8.5828 9.4856 9.4856 11.0267 11.0267 11.4031 11.4031 12.8962 12.8962 13.3239 13.3239 13.8866 13.8866 k = 0.0000 0.5000 0.3602 ( 3376 PWs) bands (ev): 2.0179 2.0179 2.0451 2.0451 2.0589 2.0589 2.1464 2.1464 2.1726 2.1726 2.1904 2.1904 2.6823 2.6823 2.7380 2.7380 2.8161 2.8161 2.8544 2.8544 2.8893 2.8893 2.9798 2.9798 3.0222 3.0222 3.1012 3.1012 3.1588 3.1588 5.8349 5.8349 6.8259 6.8259 8.4851 8.4851 9.3728 9.3728 11.0527 11.0527 11.3605 11.3605 12.9045 12.9045 13.3264 13.3264 13.8461 13.8461 k = 0.0000 0.5000 0.3740 ( 3368 PWs) bands (ev): 2.0226 2.0226 2.0447 2.0447 2.0636 2.0636 2.1471 2.1471 2.1739 2.1739 2.1899 2.1899 2.6920 2.6920 2.7419 2.7419 2.8198 2.8198 2.8561 2.8561 2.8858 2.8858 2.9726 2.9726 3.0201 3.0201 3.0961 3.0961 3.1477 3.1477 5.8857 5.8857 6.9236 6.9236 8.3910 8.3910 9.2573 9.2573 11.0772 11.0772 11.3213 11.3213 12.9120 12.9120 13.3332 13.3332 13.8091 13.8091 k = 0.0000 0.5000 0.3879 ( 3360 PWs) bands (ev): 2.0261 2.0261 2.0437 2.0437 2.0697 2.0697 2.1478 2.1478 2.1750 2.1750 2.1892 2.1892 2.7020 2.7020 2.7464 2.7464 2.8228 2.8228 2.8588 2.8588 2.8817 2.8817 2.9643 2.9643 3.0167 3.0167 3.0922 3.0922 3.1380 3.1380 5.9360 5.9360 7.0237 7.0237 8.3011 8.3011 9.1398 9.1398 11.1001 11.1001 11.2857 11.2857 12.9186 12.9186 13.3434 13.3434 13.7756 13.7756 k = 0.0000 0.5000 0.4017 ( 3370 PWs) bands (ev): 2.0285 2.0285 2.0424 2.0424 2.0765 2.0765 2.1483 2.1483 2.1757 2.1757 2.1883 2.1883 2.7119 2.7119 2.7514 2.7514 2.8250 2.8250 2.8621 2.8621 2.8773 2.8773 2.9552 2.9552 3.0117 3.0117 3.0893 3.0893 3.1296 3.1296 5.9852 5.9852 7.1260 7.1260 8.2162 8.2162 9.0207 9.0207 11.1211 11.1211 11.2538 11.2538 12.9246 12.9246 13.3557 13.3557 13.7457 13.7457 k = 0.0000 0.5000 0.4156 ( 3378 PWs) bands (ev): 2.0301 2.0301 2.0411 2.0411 2.0835 2.0835 2.1488 2.1488 2.1762 2.1762 2.1874 2.1874 2.7219 2.7219 2.7569 2.7569 2.8264 2.8264 2.8641 2.8641 2.8748 2.8748 2.9456 2.9456 3.0054 3.0054 3.0876 3.0876 3.1226 3.1226 6.0325 6.0325 7.2304 7.2304 8.1370 8.1370 8.9006 8.9006 11.1399 11.1399 11.2257 11.2257 12.9299 12.9299 13.3692 13.3692 13.7193 13.7193 k = 0.0000 0.5000 0.4294 ( 3378 PWs) bands (ev): 2.0311 2.0311 2.0400 2.0400 2.0904 2.0904 2.1493 2.1493 2.1764 2.1764 2.1865 2.1865 2.7320 2.7320 2.7630 2.7630 2.8269 2.8269 2.8613 2.8613 2.8778 2.8778 2.9357 2.9357 2.9981 2.9981 3.0868 3.0868 3.1170 3.1170 6.0771 6.0771 7.3366 7.3366 8.0646 8.0646 8.7803 8.7803 11.1559 11.1559 11.2020 11.2020 12.9347 12.9347 13.3830 13.3830 13.6965 13.6965 k = 0.0000 0.5000 0.4433 ( 3372 PWs) bands (ev): 2.0318 2.0318 2.0391 2.0391 2.0969 2.0969 2.1498 2.1498 2.1763 2.1763 2.1858 2.1858 2.7418 2.7418 2.7696 2.7696 2.8265 2.8265 2.8562 2.8562 2.8837 2.8837 2.9261 2.9261 2.9902 2.9902 3.0866 3.0866 3.1127 3.1127 6.1179 6.1179 7.4442 7.4442 8.0002 8.0002 8.6601 8.6601 11.1655 11.1655 11.1860 11.1860 12.9387 12.9387 13.3963 13.3963 13.6772 13.6772 k = 0.0000 0.5000 0.4571 ( 3392 PWs) bands (ev): 2.0320 2.0320 2.0383 2.0383 2.1027 2.1027 2.1500 2.1500 2.1756 2.1756 2.1851 2.1851 2.7511 2.7511 2.7761 2.7761 2.8249 2.8249 2.8509 2.8509 2.8897 2.8897 2.9173 2.9173 2.9818 2.9818 3.0864 3.0864 3.1090 3.1090 6.1538 6.1538 7.5527 7.5527 7.9449 7.9449 8.5411 8.5411 11.1580 11.1580 11.1885 11.1885 12.9421 12.9421 13.4082 13.4082 13.6615 13.6615 k = 0.0000 0.5000 0.4710 ( 3396 PWs) bands (ev): 2.0321 2.0321 2.0379 2.0379 2.1075 2.1075 2.1503 2.1503 2.1748 2.1748 2.1847 2.1847 2.7596 2.7596 2.7829 2.7829 2.8220 2.8220 2.8466 2.8466 2.8941 2.8941 2.9113 2.9113 2.9738 2.9738 3.0866 3.0866 3.1066 3.1066 6.1835 6.1835 7.6608 7.6608 7.9001 7.9001 8.4246 8.4246 11.1461 11.1461 11.1966 11.1966 12.9448 12.9448 13.4182 13.4182 13.6492 13.6492 k = 0.0000 0.5000 0.4848 ( 3396 PWs) bands (ev): 2.0320 2.0320 2.0376 2.0376 2.1113 2.1113 2.1506 2.1506 2.1741 2.1741 2.1845 2.1845 2.7668 2.7668 2.7894 2.7894 2.8176 2.8176 2.8439 2.8439 2.8936 2.8936 2.9112 2.9112 2.9666 2.9666 3.0868 3.0868 3.1049 3.1049 6.2057 6.2057 7.7656 7.7656 7.8669 7.8669 8.3136 8.3136 11.1370 11.1370 11.2030 11.2030 12.9468 12.9468 13.4258 13.4258 13.6405 13.6405 k = 0.0000 0.5000 0.4987 ( 3396 PWs) bands (ev): 2.0320 2.0320 2.0374 2.0374 2.1137 2.1137 2.1507 2.1507 2.1734 2.1734 2.1844 2.1844 2.7718 2.7718 2.7952 2.7952 2.8125 2.8125 2.8425 2.8425 2.8907 2.8907 2.9143 2.9143 2.9612 2.9612 3.0869 3.0869 3.1040 3.1040 6.2196 6.2196 7.8462 7.8462 7.8581 7.8581 8.2179 8.2179 11.1314 11.1314 11.2070 11.2070 12.9480 12.9480 13.4304 13.4304 13.6353 13.6353 k = 0.0000 0.5000 0.5125 ( 3396 PWs) bands (ev): 2.0320 2.0320 2.0374 2.0374 2.1145 2.1145 2.1508 2.1508 2.1732 2.1732 2.1844 2.1844 2.7737 2.7737 2.7984 2.7984 2.8095 2.8095 2.8421 2.8421 2.8894 2.8894 2.9159 2.9159 2.9592 2.9592 3.0869 3.0869 3.1036 3.1036 6.2243 6.2243 7.8396 7.8396 7.9024 7.9024 8.1720 8.1720 11.1295 11.1295 11.2084 11.2084 12.9484 12.9484 13.4320 13.4320 13.6336 13.6336 k = 0.5000 0.5000-0.0000 ( 3380 PWs) bands (ev): 2.0766 2.0766 2.0812 2.0812 2.1359 2.1359 2.1419 2.1419 2.1536 2.1536 2.1776 2.1776 2.7833 2.7833 2.7955 2.7955 2.7993 2.7993 2.8204 2.8204 2.9004 2.9004 2.9177 2.9177 2.9190 2.9190 3.0814 3.0814 3.0937 3.0937 6.1426 6.1426 7.7324 7.7324 7.7374 7.7374 8.1838 8.1838 11.2542 11.2542 11.2768 11.2768 12.8291 12.8291 13.2125 13.2125 13.7486 13.7486 k = 0.5000 0.5000 0.0139 ( 3380 PWs) bands (ev): 2.0763 2.0763 2.0809 2.0809 2.1355 2.1355 2.1417 2.1417 2.1524 2.1524 2.1777 2.1777 2.7834 2.7834 2.7889 2.7889 2.8050 2.8050 2.8194 2.8194 2.9014 2.9014 2.9183 2.9183 2.9195 2.9195 3.0820 3.0820 3.0948 3.0948 6.1449 6.1449 7.7333 7.7333 7.7383 7.7383 8.1860 8.1860 11.2527 11.2527 11.2751 11.2751 12.8298 12.8298 13.2130 13.2130 13.7404 13.7404 k = 0.5000 0.5000 0.0277 ( 3372 PWs) bands (ev): 2.0754 2.0754 2.0802 2.0802 2.1343 2.1343 2.1411 2.1411 2.1491 2.1491 2.1778 2.1778 2.7802 2.7802 2.7837 2.7837 2.8111 2.8111 2.8165 2.8165 2.9042 2.9042 2.9195 2.9195 2.9218 2.9218 3.0839 3.0839 3.0982 3.0982 6.1517 6.1517 7.7362 7.7362 7.7410 7.7410 8.1928 8.1928 11.2479 11.2479 11.2699 11.2699 12.8319 12.8319 13.2145 13.2145 13.7160 13.7160 k = 0.5000 0.5000 0.0416 ( 3356 PWs) bands (ev): 2.0738 2.0738 2.0790 2.0790 2.1324 2.1324 2.1400 2.1400 2.1441 2.1441 2.1777 2.1777 2.7711 2.7711 2.7842 2.7842 2.8121 2.8121 2.8162 2.8162 2.9086 2.9086 2.9207 2.9207 2.9262 2.9262 3.0871 3.0871 3.1038 3.1038 6.1631 6.1631 7.7410 7.7410 7.7454 7.7454 8.2042 8.2042 11.2400 11.2400 11.2614 11.2614 12.8353 12.8353 13.2170 13.2170 13.6755 13.6755 k = 0.5000 0.5000 0.0554 ( 3356 PWs) bands (ev): 2.0714 2.0714 2.0771 2.0771 2.1299 2.1299 2.1377 2.1377 2.1383 2.1383 2.1770 2.1770 2.7618 2.7618 2.7844 2.7844 2.8067 2.8067 2.8200 2.8200 2.9140 2.9140 2.9218 2.9218 2.9322 2.9322 3.0915 3.0915 3.1112 3.1112 6.1790 6.1790 7.7477 7.7477 7.7516 7.7516 8.2200 8.2200 11.2290 11.2290 11.2495 11.2495 12.8400 12.8400 13.2205 13.2205 13.6194 13.6194 k = 0.5000 0.5000 0.0693 ( 3372 PWs) bands (ev): 2.0682 2.0682 2.0745 2.0745 2.1268 2.1268 2.1299 2.1299 2.1358 2.1358 2.1756 2.1756 2.7526 2.7526 2.7834 2.7834 2.8015 2.8015 2.8228 2.8228 2.9198 2.9198 2.9228 2.9228 2.9397 2.9397 3.0972 3.0972 3.1202 3.1202 6.1994 6.1994 7.7564 7.7564 7.7595 7.7595 8.2403 8.2403 11.2147 11.2147 11.2342 11.2342 12.8460 12.8460 13.2249 13.2249 13.5483 13.5483 k = 0.5000 0.5000 0.0831 ( 3376 PWs) bands (ev): 2.0643 2.0643 2.0711 2.0711 2.1213 2.1213 2.1232 2.1232 2.1331 2.1331 2.1736 2.1736 2.7438 2.7438 2.7798 2.7798 2.7987 2.7987 2.8248 2.8248 2.9236 2.9236 2.9258 2.9258 2.9487 2.9487 3.1046 3.1046 3.1307 3.1307 6.2242 6.2242 7.7669 7.7669 7.7693 7.7693 8.2650 8.2650 11.1974 11.1974 11.2156 11.2156 12.8531 12.8531 13.2302 13.2302 13.4631 13.4631 k = 0.5000 0.5000 0.0970 ( 3376 PWs) bands (ev): 2.0597 2.0597 2.0671 2.0671 2.1120 2.1120 2.1190 2.1190 2.1303 2.1303 2.1711 2.1711 2.7356 2.7356 2.7731 2.7731 2.7991 2.7991 2.8264 2.8264 2.9242 2.9242 2.9314 2.9314 2.9589 2.9589 3.1134 3.1134 3.1424 3.1424 6.2534 6.2534 7.7793 7.7793 7.7808 7.7808 8.2941 8.2941 11.1768 11.1768 11.1936 11.1936 12.8611 12.8611 13.2364 13.2364 13.3651 13.3651 k = 0.5000 0.5000 0.1108 ( 3384 PWs) bands (ev): 2.0542 2.0542 2.0622 2.0622 2.1020 2.1020 2.1141 2.1141 2.1274 2.1274 2.1680 2.1680 2.7279 2.7279 2.7647 2.7647 2.8012 2.8012 2.8275 2.8275 2.9245 2.9245 2.9362 2.9362 2.9701 2.9701 3.1237 3.1237 3.1550 3.1550 6.2869 6.2869 7.7937 7.7937 7.7941 7.7941 8.3274 8.3274 11.1532 11.1532 11.1683 11.1683 12.8696 12.8696 13.2434 13.2434 13.2559 13.2559 k = 0.5000 0.5000 0.1247 ( 3384 PWs) bands (ev): 2.0479 2.0479 2.0566 2.0566 2.0916 2.0916 2.1084 2.1084 2.1249 2.1249 2.1646 2.1646 2.7210 2.7210 2.7557 2.7557 2.8043 2.8043 2.8284 2.8284 2.9246 2.9246 2.9404 2.9404 2.9822 2.9822 3.1354 3.1354 3.1684 3.1684 6.3247 6.3247 7.8091 7.8091 7.8099 7.8099 8.3650 8.3650 11.1265 11.1265 11.1397 11.1397 12.8772 12.8772 13.1381 13.1381 13.2512 13.2512 k = 0.5000 0.5000 0.1385 ( 3388 PWs) bands (ev): 2.0408 2.0408 2.0502 2.0502 2.0808 2.0808 2.1018 2.1018 2.1227 2.1227 2.1608 2.1608 2.7148 2.7148 2.7464 2.7464 2.8081 2.8081 2.8291 2.8291 2.9245 2.9245 2.9437 2.9437 2.9949 2.9949 3.1483 3.1483 3.1823 3.1823 6.3668 6.3668 7.8259 7.8259 7.8281 7.8281 8.4066 8.4066 11.0967 11.0967 11.1079 11.1079 12.8775 12.8775 13.0195 13.0195 13.2596 13.2596 k = 0.5000 0.5000 0.1524 ( 3388 PWs) bands (ev): 2.0330 2.0330 2.0433 2.0433 2.0698 2.0698 2.0946 2.0946 2.1208 2.1208 2.1568 2.1568 2.7093 2.7093 2.7370 2.7370 2.8123 2.8123 2.8297 2.8297 2.9242 2.9242 2.9462 2.9462 3.0082 3.0082 3.1623 3.1623 3.1967 3.1967 6.4129 6.4129 7.8445 7.8445 7.8481 7.8481 8.4522 8.4522 11.0639 11.0639 11.0730 11.0730 12.8263 12.8263 12.9457 12.9457 13.2687 13.2687 k = 0.5000 0.5000 0.1662 ( 3388 PWs) bands (ev): 2.0244 2.0244 2.0357 2.0357 2.0586 2.0586 2.0867 2.0867 2.1192 2.1192 2.1527 2.1527 2.7046 2.7046 2.7280 2.7280 2.8169 2.8169 2.8301 2.8301 2.9238 2.9238 2.9481 2.9481 3.0219 3.0219 3.1771 3.1771 3.2113 3.2113 6.4631 6.4631 7.8649 7.8649 7.8699 7.8699 8.5016 8.5016 11.0281 11.0281 11.0350 11.0350 12.7006 12.7006 12.9409 12.9409 13.2782 13.2782 k = 0.5000 0.5000 0.1801 ( 3388 PWs) bands (ev): 2.0151 2.0151 2.0276 2.0276 2.0475 2.0475 2.0782 2.0782 2.1178 2.1178 2.1484 2.1484 2.7006 2.7006 2.7192 2.7192 2.8217 2.8217 2.8305 2.8305 2.9234 2.9234 2.9493 2.9493 3.0358 3.0358 3.1925 3.1925 3.2260 3.2260 6.5173 6.5173 7.8870 7.8870 7.8936 7.8936 8.5548 8.5548 10.9895 10.9895 10.9942 10.9942 12.5553 12.5553 12.9512 12.9512 13.2882 13.2882 k = 0.5000 0.5000 0.1939 ( 3396 PWs) bands (ev): 2.0051 2.0051 2.0191 2.0191 2.0363 2.0363 2.0692 2.0692 2.1166 2.1166 2.1441 2.1441 2.6972 2.6972 2.7107 2.7107 2.8266 2.8266 2.8307 2.8307 2.9229 2.9229 2.9500 2.9500 3.0498 3.0498 3.2082 3.2082 3.2406 3.2406 6.5755 6.5755 7.9108 7.9108 7.9191 7.9191 8.6115 8.6115 10.9481 10.9481 10.9505 10.9505 12.4030 12.4030 12.9651 12.9651 13.2985 13.2985 k = 0.5000 0.5000 0.2078 ( 3396 PWs) bands (ev): 1.9948 1.9948 2.0103 2.0103 2.0252 2.0252 2.0598 2.0598 2.1156 2.1156 2.1397 2.1397 2.6945 2.6945 2.7027 2.7027 2.8310 2.8310 2.8316 2.8316 2.9225 2.9225 2.9502 2.9502 3.0639 3.0639 3.2242 3.2242 3.2553 3.2553 6.6374 6.6374 7.9363 7.9363 7.9464 7.9464 8.6715 8.6715 10.9041 10.9041 10.9041 10.9041 12.2465 12.2465 12.9806 12.9806 13.3091 13.3091 k = 0.5000 0.5000 0.2216 ( 3396 PWs) bands (ev): 1.9841 1.9841 2.0014 2.0014 2.0143 2.0143 2.0502 2.0502 2.1147 2.1147 2.1354 2.1354 2.6924 2.6924 2.6951 2.6951 2.8314 2.8314 2.8365 2.8365 2.9222 2.9222 2.9502 2.9502 3.0779 3.0779 3.2404 3.2404 3.2697 3.2697 6.7032 6.7032 7.9635 7.9635 7.9754 7.9754 8.7347 8.7347 10.8553 10.8553 10.8576 10.8576 12.0872 12.0872 12.9971 12.9971 13.3196 13.3196 k = 0.5000 0.5000 0.2355 ( 3400 PWs) bands (ev): 1.9731 1.9731 1.9922 1.9922 2.0034 2.0034 2.0404 2.0404 2.1138 2.1138 2.1311 2.1311 2.6879 2.6879 2.6908 2.6908 2.8317 2.8317 2.8412 2.8412 2.9219 2.9219 2.9498 2.9498 3.0918 3.0918 3.2564 3.2564 3.2839 3.2839 6.7726 6.7726 7.9923 7.9923 8.0061 8.0061 8.8009 8.8009 10.8041 10.8041 10.8088 10.8088 11.9259 11.9259 13.0142 13.0142 13.3302 13.3302 k = 0.5000 0.5000 0.2493 ( 3400 PWs) bands (ev): 1.9622 1.9622 1.9831 1.9831 1.9928 1.9928 2.0306 2.0306 2.1131 2.1131 2.1268 2.1268 2.6813 2.6813 2.6897 2.6897 2.8320 2.8320 2.8457 2.8457 2.9219 2.9219 2.9493 2.9493 3.1054 3.1054 3.2723 3.2723 3.2978 3.2978 6.8456 6.8456 8.0227 8.0227 8.0384 8.0384 8.8697 8.8697 10.7509 10.7509 10.7578 10.7578 11.7634 11.7634 13.0318 13.0318 13.3405 13.3405 k = 0.5000 0.5000 0.2632 ( 3400 PWs) bands (ev): 1.9513 1.9513 1.9740 1.9740 1.9824 1.9824 2.0208 2.0208 2.1124 2.1124 2.1226 2.1226 2.6752 2.6752 2.6890 2.6890 2.8324 2.8324 2.8499 2.8499 2.9220 2.9220 2.9487 2.9487 3.1187 3.1187 3.2879 3.2879 3.3114 3.3114 6.9222 6.9222 8.0546 8.0546 8.0722 8.0722 8.9409 8.9409 10.6958 10.6958 10.7049 10.7049 11.6002 11.6002 13.0495 13.0495 13.3504 13.3504 k = 0.5000 0.5000 0.2771 ( 3396 PWs) bands (ev): 1.9405 1.9405 1.9650 1.9650 1.9723 1.9723 2.0111 2.0111 2.1118 2.1118 2.1184 2.1184 2.6695 2.6695 2.6887 2.6887 2.8327 2.8327 2.8537 2.8537 2.9225 2.9225 2.9480 2.9480 3.1317 3.1317 3.3032 3.3032 3.3245 3.3245 7.0023 7.0023 8.0879 8.0879 8.1075 8.1075 9.0142 9.0142 10.6392 10.6392 10.6503 10.6503 11.4369 11.4369 13.0674 13.0674 13.3599 13.3599 k = 0.5000 0.5000 0.2909 ( 3380 PWs) bands (ev): 1.9301 1.9301 1.9563 1.9563 1.9626 1.9626 2.0017 2.0017 2.1113 2.1113 2.1144 2.1144 2.6643 2.6643 2.6887 2.6887 2.8332 2.8332 2.8571 2.8571 2.9232 2.9232 2.9473 2.9473 3.1443 3.1443 3.3180 3.3180 3.3373 3.3373 7.0858 7.0858 8.1226 8.1226 8.1440 8.1440 9.0891 9.0891 10.5812 10.5812 10.5944 10.5944 11.2739 11.2739 13.0852 13.0852 13.3686 13.3686 k = 0.5000 0.5000 0.3048 ( 3388 PWs) bands (ev): 1.9198 1.9198 1.9476 1.9476 1.9531 1.9531 1.9923 1.9923 2.1104 2.1104 2.1107 2.1107 2.6595 2.6595 2.6888 2.6888 2.8335 2.8335 2.8600 2.8600 2.9242 2.9242 2.9465 2.9465 3.1563 3.1563 3.3321 3.3321 3.3493 3.3493 7.1726 7.1726 8.1583 8.1583 8.1818 8.1818 9.1653 9.1653 10.5223 10.5223 10.5373 10.5373 11.1114 11.1114 13.1028 13.1028 13.3763 13.3763 k = 0.5000 0.5000 0.3186 ( 3388 PWs) bands (ev): 1.9100 1.9100 1.9393 1.9393 1.9440 1.9440 1.9834 1.9834 2.1065 2.1065 2.1101 2.1101 2.6552 2.6552 2.6893 2.6893 2.8338 2.8338 2.8624 2.8624 2.9254 2.9254 2.9457 2.9457 3.1677 3.1677 3.3456 3.3456 3.3608 3.3608 7.2627 7.2627 8.1952 8.1952 8.2205 8.2205 9.2424 9.2424 10.4628 10.4628 10.4794 10.4794 10.9497 10.9497 13.1201 13.1201 13.3830 13.3830 k = 0.5000 0.5000 0.3325 ( 3380 PWs) bands (ev): 1.9008 1.9008 1.9314 1.9314 1.9354 1.9354 1.9748 1.9748 2.1028 2.1028 2.1096 2.1096 2.6514 2.6514 2.6899 2.6899 2.8341 2.8341 2.8645 2.8645 2.9270 2.9270 2.9450 2.9450 3.1786 3.1786 3.3585 3.3585 3.3718 3.3718 7.3560 7.3560 8.2328 8.2328 8.2601 8.2601 9.3197 9.3197 10.4031 10.4031 10.4212 10.4212 10.7893 10.7893 13.1369 13.1369 13.3883 13.3883 k = 0.5000 0.5000 0.3463 ( 3364 PWs) bands (ev): 1.8919 1.8919 1.9239 1.9239 1.9273 1.9273 1.9667 1.9667 2.0994 2.0994 2.1093 2.1093 2.6480 2.6480 2.6906 2.6906 2.8345 2.8345 2.8661 2.8661 2.9289 2.9289 2.9445 2.9445 3.1890 3.1890 3.3707 3.3707 3.3821 3.3821 7.4524 7.4524 8.2711 8.2711 8.3003 8.3003 9.3967 9.3967 10.3435 10.3435 10.3630 10.3630 10.6302 10.6302 13.1530 13.1530 13.3921 13.3921 k = 0.5000 0.5000 0.3602 ( 3380 PWs) bands (ev): 1.8835 1.8835 1.9166 1.9166 1.9195 1.9195 1.9589 1.9589 2.0958 2.0958 2.1087 2.1087 2.6447 2.6447 2.6913 2.6913 2.8347 2.8347 2.8672 2.8672 2.9307 2.9307 2.9437 2.9437 3.1985 3.1985 3.3820 3.3820 3.3916 3.3916 7.5518 7.5518 8.3096 8.3096 8.3407 8.3407 9.4728 9.4728 10.2845 10.2845 10.3053 10.3053 10.4727 10.4727 13.1684 13.1684 13.3942 13.3942 k = 0.5000 0.5000 0.3740 ( 3380 PWs) bands (ev): 1.8758 1.8758 1.9099 1.9099 1.9124 1.9124 1.9517 1.9517 2.0926 2.0926 2.1082 2.1082 2.6420 2.6420 2.6921 2.6921 2.8350 2.8350 2.8680 2.8680 2.9326 2.9326 2.9431 2.9431 3.2073 3.2073 3.3925 3.3925 3.4004 3.4004 7.6543 7.6543 8.3482 8.3482 8.3810 8.3810 9.5471 9.5471 10.2266 10.2266 10.2485 10.2485 10.3171 10.3171 13.1830 13.1830 13.3944 13.3944 k = 0.5000 0.5000 0.3879 ( 3372 PWs) bands (ev): 1.8688 1.8688 1.9039 1.9039 1.9058 1.9058 1.9452 1.9452 2.0898 2.0898 2.1079 2.1079 2.6397 2.6397 2.6930 2.6930 2.8352 2.8352 2.8686 2.8686 2.9346 2.9346 2.9427 2.9427 3.2154 3.2154 3.4020 3.4020 3.4085 3.4085 7.7596 7.7596 8.3863 8.3863 8.4209 8.4209 9.6188 9.6188 10.1604 10.1604 10.1734 10.1734 10.1934 10.1934 13.1965 13.1965 13.3927 13.3927 k = 0.5000 0.5000 0.4017 ( 3372 PWs) bands (ev): 1.8624 1.8624 1.8983 1.8983 1.8999 1.8999 1.9392 1.9392 2.0871 2.0871 2.1075 2.1075 2.6376 2.6376 2.6938 2.6938 2.8354 2.8354 2.8690 2.8690 2.9365 2.9365 2.9423 2.9423 3.2227 3.2227 3.4107 3.4107 3.4158 3.4158 7.8677 7.8677 8.4235 8.4235 8.4597 8.4597 9.6871 9.6871 10.0110 10.0110 10.1176 10.1176 10.1405 10.1405 13.2090 13.2090 13.3890 13.3890 k = 0.5000 0.5000 0.4156 ( 3380 PWs) bands (ev): 1.8566 1.8566 1.8932 1.8932 1.8945 1.8945 1.9338 1.9338 2.0845 2.0845 2.1071 2.1071 2.6357 2.6357 2.6945 2.6945 2.8355 2.8355 2.8692 2.8692 2.9383 2.9383 2.9419 2.9419 3.2292 3.2292 3.4184 3.4184 3.4223 3.4223 7.9783 7.9783 8.4592 8.4592 8.4970 8.4970 9.7509 9.7509 9.8618 9.8618 10.0670 10.0670 10.0905 10.0905 13.2202 13.2202 13.3834 13.3834 k = 0.5000 0.5000 0.4294 ( 3388 PWs) bands (ev): 1.8516 1.8516 1.8887 1.8887 1.8898 1.8898 1.9289 1.9289 2.0823 2.0823 2.1068 2.1068 2.6342 2.6342 2.6952 2.6952 2.8357 2.8357 2.8692 2.8692 2.9398 2.9398 2.9416 2.9416 3.2348 3.2348 3.4251 3.4251 3.4279 3.4279 8.0913 8.0913 8.4928 8.4928 8.5319 8.5319 9.7150 9.7150 9.8090 9.8090 10.0204 10.0204 10.0445 10.0445 13.2302 13.2302 13.3764 13.3764 k = 0.5000 0.5000 0.4433 ( 3388 PWs) bands (ev): 1.8473 1.8473 1.8850 1.8850 1.8859 1.8859 1.9249 1.9249 2.0805 2.0805 2.1065 2.1065 2.6329 2.6329 2.6958 2.6958 2.8358 2.8358 2.8693 2.8693 2.9412 2.9412 2.9414 2.9414 3.2397 3.2397 3.4308 3.4308 3.4327 3.4327 8.2063 8.2063 8.5236 8.5236 8.5638 8.5638 9.5713 9.5713 9.8603 9.8603 9.9786 9.9786 10.0035 10.0035 13.2387 13.2387 13.3684 13.3684 k = 0.5000 0.5000 0.4571 ( 3388 PWs) bands (ev): 1.8438 1.8438 1.8819 1.8819 1.8826 1.8826 1.9216 1.9216 2.0789 2.0789 2.1063 2.1063 2.6319 2.6319 2.6963 2.6963 2.8359 2.8359 2.8693 2.8693 2.9412 2.9412 2.9425 2.9425 3.2436 3.2436 3.4355 3.4355 3.4367 3.4367 8.3223 8.3223 8.5511 8.5511 8.5916 8.5916 9.4311 9.4311 9.9025 9.9025 9.9426 9.9426 9.9696 9.9696 13.2459 13.2459 13.3601 13.3601 k = 0.5000 0.5000 0.4710 ( 3380 PWs) bands (ev): 1.8411 1.8411 1.8795 1.8795 1.8801 1.8801 1.9190 1.9190 2.0777 2.0777 2.1061 2.1061 2.6312 2.6312 2.6968 2.6968 2.8360 2.8360 2.8693 2.8693 2.9412 2.9412 2.9435 2.9435 3.2468 3.2468 3.4393 3.4393 3.4399 3.4399 8.4373 8.4373 8.5753 8.5753 8.6146 8.6146 9.2958 9.2958 9.9132 9.9132 9.9233 9.9233 9.9551 9.9551 13.2515 13.2515 13.3523 13.3523 k = 0.5000 0.5000 0.4848 ( 3380 PWs) bands (ev): 1.8391 1.8391 1.8777 1.8777 1.8782 1.8782 1.9171 1.9171 2.0769 2.0769 2.1060 2.1060 2.6306 2.6306 2.6971 2.6971 2.8360 2.8360 2.8693 2.8693 2.9411 2.9411 2.9442 2.9442 3.2491 3.2491 3.4419 3.4419 3.4421 3.4421 8.5406 8.5406 8.6028 8.6028 8.6318 8.6318 9.1684 9.1684 9.8915 9.8915 9.9103 9.9103 9.9725 9.9725 13.2555 13.2555 13.3460 13.3460 k = 0.5000 0.5000 0.4987 ( 3368 PWs) bands (ev): 1.8380 1.8380 1.8768 1.8768 1.8772 1.8772 1.9161 1.9161 2.0764 2.0764 2.1060 2.1060 2.6304 2.6304 2.6974 2.6974 2.8362 2.8362 2.8693 2.8693 2.9412 2.9412 2.9446 2.9446 3.2505 3.2505 3.4435 3.4435 3.4436 3.4436 8.5849 8.5849 8.6425 8.6425 8.6699 8.6699 9.0593 9.0593 9.8781 9.8781 9.8982 9.8982 9.9872 9.9872 13.2579 13.2579 13.3419 13.3419 k = 0.5000 0.5000 0.5125 ( 3360 PWs) bands (ev): 1.8376 1.8376 1.8765 1.8765 1.8768 1.8768 1.9158 1.9158 2.0763 2.0763 2.1060 2.1060 2.6303 2.6303 2.6975 2.6975 2.8362 2.8362 2.8694 2.8694 2.9412 2.9412 2.9448 2.9448 3.2510 3.2510 3.4441 3.4441 3.4442 3.4442 8.5919 8.5919 8.6461 8.6461 8.7159 8.7159 9.0072 9.0072 9.8736 9.8736 9.8939 9.8939 9.9923 9.9923 13.2588 13.2588 13.3404 13.3404 Writing output data file ZrCd3.save init_run : 0.29s CPU 0.49s WALL ( 1 calls) electrons : 163.10s CPU 166.61s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.02s WALL ( 1 calls) potinit : 0.03s CPU 0.10s WALL ( 1 calls) Called by electrons: c_bands : 163.08s CPU 166.60s 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 : 0.06s CPU 0.11s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.06s CPU 0.05s WALL ( 366 calls) cegterg : 149.60s CPU 151.60s WALL ( 556 calls) Called by sum_band: Called by *egterg: h_psi : 90.00s CPU 91.52s WALL ( 9366 calls) s_psi : 4.52s CPU 4.44s WALL ( 9366 calls) g_psi : 0.24s CPU 0.23s WALL ( 8444 calls) cdiaghg : 51.28s CPU 52.19s WALL ( 8810 calls) cegterg:over : 5.45s CPU 5.45s WALL ( 8444 calls) cegterg:upda : 4.20s CPU 4.17s WALL ( 8444 calls) cegterg:last : 2.86s CPU 2.82s WALL ( 1638 calls) cdiaghg:chol : 2.77s CPU 2.86s WALL ( 8810 calls) cdiaghg:inve : 1.68s CPU 1.81s WALL ( 8810 calls) cdiaghg:para : 3.18s CPU 3.08s WALL ( 17620 calls) Called by h_psi: h_psi:vloc : 79.35s CPU 80.62s WALL ( 9366 calls) h_psi:vnl : 10.45s CPU 10.68s WALL ( 9366 calls) add_vuspsi : 5.29s CPU 5.55s WALL ( 9366 calls) General routines calbec : 5.14s CPU 5.10s WALL ( 9366 calls) fft : 0.00s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 72.18s CPU 73.31s WALL ( 945760 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.15s CPU 0.18s WALL ( 732 calls) Parallel routines fft_scatter : 26.61s CPU 27.16s WALL ( 945783 calls) PWSCF : 2m58.13s CPU 3m33.95s WALL This run was terminated on: 16:48: 8 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. 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