Program PWSCF v.5.3.0 (svn rev. 11974) starts on 31Jan2017 at 14:34:12 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 72 processors R & G space division: proc/nbgrp/npool/nimage = 72 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./Zr5Sb3C.save/ file Sb.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 6* 6 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 77 47 13 3189 1511 225 Max 78 48 14 3193 1536 228 Sum 5551 3403 955 229761 109891 16231 bravais-lattice index = 14 lattice parameter (alat) = 15.6879 a.u. unit-cell volume = 2300.8856 (a.u.)^3 number of atoms/cell = 18 number of atomic types = 3 number of electrons = 78.00 number of Kohn-Sham states= 94 kinetic-energy cutoff = 50.0000 Ry charge density cutoff = 327.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 15.687938 celldm(2)= 1.000000 celldm(3)= 0.688124 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.500000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.500000 0.866025 0.000000 ) a(3) = ( 0.000000 0.000000 0.688124 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.577350 -0.000000 ) b(2) = ( 0.000000 1.154701 -0.000000 ) b(3) = ( 0.000000 0.000000 1.453226 ) 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 Sb read from file: /users/gautes/Pseudo/Sb.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 6eab79124e5b154cf38452ae12125a85 Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1243 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for C read from file: /users/gautes/Pseudo/C.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: de79cff2a1a990998107dfc0a7a38bf3 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1073 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Zr 4.00 91.22400 Zr( 1.00) Sb 5.00 121.76000 Sb( 1.00) C 4.00 12.01070 C( 1.00) 24 Sym. Ops., with inversion, found (12 have fractional translation) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) f =( 0.0000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) f =( 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.3440621 ) isym = 3 180 deg rotation - cart. axis [0,1,0] cryst. s( 3) = ( -1 0 0 ) ( 1 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 ) f =( 0.0000000 ) ( -1 -1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s( 4) = ( 1.0000000 -0.0000000 -0.0000000 ) f =( 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.3440621 ) isym = 5 60 deg rotation - cryst. axis [0,0,1] cryst. s( 5) = ( 1 1 0 ) f =( 0.0000000 ) ( -1 0 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s( 5) = ( 0.5000000 -0.8660254 0.0000000 ) f =( 0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.3440621 ) isym = 6 60 deg rotation - cryst. axis [0,0,-1] cryst. s( 6) = ( 0 -1 0 ) f =( 0.0000000 ) ( 1 1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s( 6) = ( 0.5000000 0.8660254 -0.0000000 ) f =( 0.0000000 ) ( -0.8660254 0.5000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.3440621 ) isym = 7 120 deg rotation - cryst. axis [0,0,1] cryst. s( 7) = ( 0 1 0 ) ( -1 -1 0 ) ( 0 0 1 ) cart. s( 7) = ( -0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 8 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 8) = ( -1 -1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s( 8) = ( -0.5000000 0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 9 180 deg rotation - cryst. axis [1,-1,0] cryst. s( 9) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s( 9) = ( 0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 10 180 deg rotation - cryst. axis [2,1,0] cryst. s(10) = ( 1 1 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s(10) = ( 0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 11 180 deg rotation - cryst. axis [0,1,0] cryst. s(11) = ( -1 -1 0 ) f =( 0.0000000 ) ( 0 1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s(11) = ( -0.5000000 -0.8660254 0.0000000 ) f =( 0.0000000 ) ( -0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.3440621 ) isym = 12 180 deg rotation - cryst. axis [1,1,0] cryst. s(12) = ( 0 1 0 ) f =( 0.0000000 ) ( 1 0 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s(12) = ( -0.5000000 0.8660254 -0.0000000 ) f =( 0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.3440621 ) isym = 13 inversion cryst. s(13) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s(13) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 14 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s(14) = ( 1 0 0 ) f =( 0.0000000 ) ( 0 1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s(14) = ( 1.0000000 -0.0000000 -0.0000000 ) f =( 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.3440621 ) isym = 15 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s(15) = ( 1 0 0 ) ( -1 -1 0 ) ( 0 0 1 ) cart. s(15) = ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 16 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s(16) = ( -1 0 0 ) f =( 0.0000000 ) ( 1 1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s(16) = ( -1.0000000 0.0000000 0.0000000 ) f =( 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.3440621 ) isym = 17 inv. 60 deg rotation - cryst. axis [0,0,1] cryst. s(17) = ( -1 -1 0 ) f =( 0.0000000 ) ( 1 0 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s(17) = ( -0.5000000 0.8660254 -0.0000000 ) f =( 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.3440621 ) isym = 18 inv. 60 deg rotation - cryst. axis [0,0,-1] cryst. s(18) = ( 0 1 0 ) f =( 0.0000000 ) ( -1 -1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s(18) = ( -0.5000000 -0.8660254 0.0000000 ) f =( 0.0000000 ) ( 0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.3440621 ) isym = 19 inv. 120 deg rotation - cryst. axis [0,0,1] cryst. s(19) = ( 0 -1 0 ) ( 1 1 0 ) ( 0 0 -1 ) cart. s(19) = ( 0.5000000 0.8660254 -0.0000000 ) ( -0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 20 inv. 120 deg rotation - cryst. axis [0,0,-1] cryst. s(20) = ( 1 1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s(20) = ( 0.5000000 -0.8660254 -0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 21 inv. 180 deg rotation - cryst. axis [1,-1,0] cryst. s(21) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s(21) = ( -0.5000000 0.8660254 0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 22 inv. 180 deg rotation - cryst. axis [2,1,0] cryst. s(22) = ( -1 -1 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s(22) = ( -0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 23 inv. 180 deg rotation - cryst. axis [0,1,0] cryst. s(23) = ( 1 1 0 ) f =( 0.0000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s(23) = ( 0.5000000 0.8660254 -0.0000000 ) f =( 0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.3440621 ) isym = 24 inv. 180 deg rotation - cryst. axis [1,1,0] cryst. s(24) = ( 0 -1 0 ) f =( 0.0000000 ) ( -1 0 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s(24) = ( 0.5000000 -0.8660254 0.0000000 ) f =( 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.3440621 ) double point group D_6h(6/mmm) there are 18 classes and 6 irreducible representations the character table: E -E 2C6 -2C6 2C3 -2C3 C2 3C2' 3C2'' i -i 2S3 -C2 -3C2' -3C2' G_7+ 2.00 -2.00 1.73 -1.73 1.00 -1.00 0.00 0.00 0.00 2.00 -2.00 1.73 G_8+ 2.00 -2.00 -1.73 1.73 1.00 -1.00 0.00 0.00 0.00 2.00 -2.00 -1.73 G_9+ 2.00 -2.00 0.00 0.00 -2.00 2.00 0.00 0.00 0.00 2.00 -2.00 0.00 G_7- 2.00 -2.00 1.73 -1.73 1.00 -1.00 0.00 0.00 0.00 -2.00 2.00 -1.73 G_8- 2.00 -2.00 -1.73 1.73 1.00 -1.00 0.00 0.00 0.00 -2.00 2.00 1.73 G_9- 2.00 -2.00 0.00 0.00 -2.00 2.00 0.00 0.00 0.00 -2.00 2.00 0.00 -2S3 2S6 -2S6 s_h 3s_v 3s_d -s_h -3s_v -3s_d G_7+ -1.73 1.00 -1.00 0.00 0.00 0.00 G_8+ 1.73 1.00 -1.00 0.00 0.00 0.00 G_9+ 0.00 -2.00 2.00 0.00 0.00 0.00 G_7- 1.73 -1.00 1.00 0.00 0.00 0.00 G_8- -1.73 -1.00 1.00 0.00 0.00 0.00 G_9- 0.00 2.00 -2.00 0.00 0.00 0.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E 2C6 5 6 60 deg rotation - cryst. axis [0,0,1] -2C6 -5 -6 60 deg rotation - cryst. axis [0,0,1] E 2C3 7 8 120 deg rotation - cryst. axis [0,0,1] -2C3 -7 -8 120 deg rotation - cryst. axis [0,0,1] E C2 -C2 2 -2 180 deg rotation - cart. axis [0,0,1] 3C2'-3C2' 4 -4 12 -11 11 -12 180 deg rotation - cart. axis [1,0,0] 3C2''-3C2' 3 -3 9 10 -10 -9 180 deg rotation - cart. axis [0,1,0] i 13 inversion -i -13 inversion E 2S3 17 18 inv. 60 deg rotation - cryst. axis [0,0,1] -2S3 -17 -18 inv. 60 deg rotation - cryst. axis [0,0,1] E 2S6 19 20 inv. 120 deg rotation - cryst. axis [0,0,1] -2S6 -19 -20 inv. 120 deg rotation - cryst. axis [0,0,1] E s_h -s_h 14 -14 inv. 180 deg rotation - cart. axis [0,0,1] 3s_v-3s_v 16 -16 24 -23 23 -24 inv. 180 deg rotation - cart. axis [1,0,0] 3s_d-3s_d 15 -15 21 22 -22 -21 inv. 180 deg rotation - cart. axis [0,1,0] Cartesian axes number of k points= 215 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0046512 k( 2) = ( 0.0227273 0.0131216 -0.0000000), wk = 0.0046512 k( 3) = ( 0.0454546 0.0262432 -0.0000000), wk = 0.0046512 k( 4) = ( 0.0681818 0.0393648 -0.0000000), wk = 0.0046512 k( 5) = ( 0.0909091 0.0524864 -0.0000000), wk = 0.0046512 k( 6) = ( 0.1136364 0.0656080 -0.0000000), wk = 0.0046512 k( 7) = ( 0.1363636 0.0787296 -0.0000000), wk = 0.0046512 k( 8) = ( 0.1590909 0.0918512 -0.0000000), wk = 0.0046512 k( 9) = ( 0.1818182 0.1049728 -0.0000000), wk = 0.0046512 k( 10) = ( 0.2045454 0.1180944 -0.0000000), wk = 0.0046512 k( 11) = ( 0.2272727 0.1312160 -0.0000000), wk = 0.0046512 k( 12) = ( 0.2500000 0.1443376 -0.0000000), wk = 0.0046512 k( 13) = ( 0.2727273 0.1574592 -0.0000000), wk = 0.0046512 k( 14) = ( 0.2954545 0.1705808 -0.0000000), wk = 0.0046512 k( 15) = ( 0.3181818 0.1837024 -0.0000000), wk = 0.0046512 k( 16) = ( 0.3409091 0.1968240 -0.0000000), wk = 0.0046512 k( 17) = ( 0.3636364 0.2099456 -0.0000000), wk = 0.0046512 k( 18) = ( 0.3863636 0.2230672 -0.0000000), wk = 0.0046512 k( 19) = ( 0.4090909 0.2361887 -0.0000000), wk = 0.0046512 k( 20) = ( 0.4318182 0.2493103 -0.0000000), wk = 0.0046512 k( 21) = ( 0.4545455 0.2624319 -0.0000000), wk = 0.0046512 k( 22) = ( 0.4772727 0.2755535 -0.0000000), wk = 0.0046512 k( 23) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0046512 k( 24) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0046512 k( 25) = ( 0.4871795 0.3108809 -0.0000000), wk = 0.0046512 k( 26) = ( 0.4743590 0.3330867 -0.0000000), wk = 0.0046512 k( 27) = ( 0.4615385 0.3552925 -0.0000000), wk = 0.0046512 k( 28) = ( 0.4487179 0.3774983 -0.0000000), wk = 0.0046512 k( 29) = ( 0.4358974 0.3997040 -0.0000000), wk = 0.0046512 k( 30) = ( 0.4230769 0.4219098 -0.0000000), wk = 0.0046512 k( 31) = ( 0.4102564 0.4441156 -0.0000000), wk = 0.0046512 k( 32) = ( 0.3974359 0.4663214 -0.0000000), wk = 0.0046512 k( 33) = ( 0.3846154 0.4885271 -0.0000000), wk = 0.0046512 k( 34) = ( 0.3717949 0.5107329 -0.0000000), wk = 0.0046512 k( 35) = ( 0.3589744 0.5329387 -0.0000000), wk = 0.0046512 k( 36) = ( 0.3461538 0.5551445 -0.0000000), wk = 0.0046512 k( 37) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0046512 k( 38) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0046512 k( 39) = ( 0.3205128 0.5551445 -0.0000000), wk = 0.0046512 k( 40) = ( 0.3076923 0.5329387 -0.0000000), wk = 0.0046512 k( 41) = ( 0.2948718 0.5107329 -0.0000000), wk = 0.0046512 k( 42) = ( 0.2820513 0.4885271 -0.0000000), wk = 0.0046512 k( 43) = ( 0.2692308 0.4663214 -0.0000000), wk = 0.0046512 k( 44) = ( 0.2564103 0.4441156 -0.0000000), wk = 0.0046512 k( 45) = ( 0.2435897 0.4219098 -0.0000000), wk = 0.0046512 k( 46) = ( 0.2307692 0.3997040 -0.0000000), wk = 0.0046512 k( 47) = ( 0.2179487 0.3774983 -0.0000000), wk = 0.0046512 k( 48) = ( 0.2051282 0.3552925 -0.0000000), wk = 0.0046512 k( 49) = ( 0.1923077 0.3330867 -0.0000000), wk = 0.0046512 k( 50) = ( 0.1794872 0.3108809 -0.0000000), wk = 0.0046512 k( 51) = ( 0.1666667 0.2886751 -0.0000000), wk = 0.0046512 k( 52) = ( 0.1538461 0.2664693 -0.0000000), wk = 0.0046512 k( 53) = ( 0.1410256 0.2442636 -0.0000000), wk = 0.0046512 k( 54) = ( 0.1282051 0.2220578 -0.0000000), wk = 0.0046512 k( 55) = ( 0.1153846 0.1998520 -0.0000000), wk = 0.0046512 k( 56) = ( 0.1025641 0.1776462 -0.0000000), wk = 0.0046512 k( 57) = ( 0.0897436 0.1554405 -0.0000000), wk = 0.0046512 k( 58) = ( 0.0769231 0.1332347 -0.0000000), wk = 0.0046512 k( 59) = ( 0.0641026 0.1110289 -0.0000000), wk = 0.0046512 k( 60) = ( 0.0512821 0.0888231 -0.0000000), wk = 0.0046512 k( 61) = ( 0.0384615 0.0666173 -0.0000000), wk = 0.0046512 k( 62) = ( 0.0256410 0.0444116 -0.0000000), wk = 0.0046512 k( 63) = ( 0.0128205 0.0222058 -0.0000000), wk = 0.0046512 k( 64) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0046512 k( 65) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0046512 k( 66) = ( 0.0000000 0.0000000 0.0259505), wk = 0.0046512 k( 67) = ( 0.0000000 0.0000000 0.0519009), wk = 0.0046512 k( 68) = ( 0.0000000 0.0000000 0.0778514), wk = 0.0046512 k( 69) = ( 0.0000000 0.0000000 0.1038019), wk = 0.0046512 k( 70) = ( 0.0000000 0.0000000 0.1297523), wk = 0.0046512 k( 71) = ( 0.0000000 0.0000000 0.1557028), wk = 0.0046512 k( 72) = ( 0.0000000 0.0000000 0.1816533), wk = 0.0046512 k( 73) = ( 0.0000000 0.0000000 0.2076037), wk = 0.0046512 k( 74) = ( 0.0000000 0.0000000 0.2335542), wk = 0.0046512 k( 75) = ( 0.0000000 0.0000000 0.2595047), wk = 0.0046512 k( 76) = ( 0.0000000 0.0000000 0.2854551), wk = 0.0046512 k( 77) = ( 0.0000000 0.0000000 0.3114056), wk = 0.0046512 k( 78) = ( 0.0000000 0.0000000 0.3373561), wk = 0.0046512 k( 79) = ( 0.0000000 0.0000000 0.3633066), wk = 0.0046512 k( 80) = ( 0.0000000 0.0000000 0.3892570), wk = 0.0046512 k( 81) = ( 0.0000000 0.0000000 0.4152075), wk = 0.0046512 k( 82) = ( 0.0000000 0.0000000 0.4411580), wk = 0.0046512 k( 83) = ( 0.0000000 0.0000000 0.4671084), wk = 0.0046512 k( 84) = ( 0.0000000 0.0000000 0.4930589), wk = 0.0046512 k( 85) = ( 0.0000000 0.0000000 0.5190094), wk = 0.0046512 k( 86) = ( 0.0000000 0.0000000 0.5449598), wk = 0.0046512 k( 87) = ( 0.0000000 0.0000000 0.5709103), wk = 0.0046512 k( 88) = ( 0.0000000 0.0000000 0.5968608), wk = 0.0046512 k( 89) = ( 0.0000000 0.0000000 0.6228112), wk = 0.0046512 k( 90) = ( 0.0000000 0.0000000 0.6487617), wk = 0.0046512 k( 91) = ( 0.0000000 0.0000000 0.6747122), wk = 0.0046512 k( 92) = ( 0.0000000 0.0000000 0.7006626), wk = 0.0046512 k( 93) = ( 0.0000000 0.0000000 0.7266131), wk = 0.0046512 k( 94) = ( 0.0000000 0.0000000 0.7266131), wk = 0.0046512 k( 95) = ( 0.0227273 0.0131216 0.7266131), wk = 0.0046512 k( 96) = ( 0.0454546 0.0262432 0.7266131), wk = 0.0046512 k( 97) = ( 0.0681818 0.0393648 0.7266131), wk = 0.0046512 k( 98) = ( 0.0909091 0.0524864 0.7266131), wk = 0.0046512 k( 99) = ( 0.1136364 0.0656080 0.7266131), wk = 0.0046512 k( 100) = ( 0.1363636 0.0787296 0.7266131), wk = 0.0046512 k( 101) = ( 0.1590909 0.0918512 0.7266131), wk = 0.0046512 k( 102) = ( 0.1818182 0.1049728 0.7266131), wk = 0.0046512 k( 103) = ( 0.2045454 0.1180944 0.7266131), wk = 0.0046512 k( 104) = ( 0.2272727 0.1312160 0.7266131), wk = 0.0046512 k( 105) = ( 0.2500000 0.1443376 0.7266131), wk = 0.0046512 k( 106) = ( 0.2727273 0.1574592 0.7266131), wk = 0.0046512 k( 107) = ( 0.2954545 0.1705808 0.7266131), wk = 0.0046512 k( 108) = ( 0.3181818 0.1837024 0.7266131), wk = 0.0046512 k( 109) = ( 0.3409091 0.1968240 0.7266131), wk = 0.0046512 k( 110) = ( 0.3636364 0.2099456 0.7266131), wk = 0.0046512 k( 111) = ( 0.3863636 0.2230672 0.7266131), wk = 0.0046512 k( 112) = ( 0.4090909 0.2361887 0.7266131), wk = 0.0046512 k( 113) = ( 0.4318182 0.2493103 0.7266131), wk = 0.0046512 k( 114) = ( 0.4545455 0.2624319 0.7266131), wk = 0.0046512 k( 115) = ( 0.4772727 0.2755535 0.7266131), wk = 0.0046512 k( 116) = ( 0.5000000 0.2886751 0.7266131), wk = 0.0046512 k( 117) = ( 0.5000000 0.2886751 0.7266131), wk = 0.0046512 k( 118) = ( 0.4871795 0.3108809 0.7266131), wk = 0.0046512 k( 119) = ( 0.4743590 0.3330867 0.7266131), wk = 0.0046512 k( 120) = ( 0.4615385 0.3552925 0.7266131), wk = 0.0046512 k( 121) = ( 0.4487179 0.3774983 0.7266131), wk = 0.0046512 k( 122) = ( 0.4358974 0.3997040 0.7266131), wk = 0.0046512 k( 123) = ( 0.4230769 0.4219098 0.7266131), wk = 0.0046512 k( 124) = ( 0.4102564 0.4441156 0.7266131), wk = 0.0046512 k( 125) = ( 0.3974359 0.4663214 0.7266131), wk = 0.0046512 k( 126) = ( 0.3846154 0.4885271 0.7266131), wk = 0.0046512 k( 127) = ( 0.3717949 0.5107329 0.7266131), wk = 0.0046512 k( 128) = ( 0.3589744 0.5329387 0.7266131), wk = 0.0046512 k( 129) = ( 0.3461538 0.5551445 0.7266131), wk = 0.0046512 k( 130) = ( 0.3333333 0.5773503 0.7266131), wk = 0.0046512 k( 131) = ( 0.3333333 0.5773503 0.7266131), wk = 0.0046512 k( 132) = ( 0.3205128 0.5551445 0.7266131), wk = 0.0046512 k( 133) = ( 0.3076923 0.5329387 0.7266131), wk = 0.0046512 k( 134) = ( 0.2948718 0.5107329 0.7266131), wk = 0.0046512 k( 135) = ( 0.2820513 0.4885271 0.7266131), wk = 0.0046512 k( 136) = ( 0.2692308 0.4663214 0.7266131), wk = 0.0046512 k( 137) = ( 0.2564103 0.4441156 0.7266131), wk = 0.0046512 k( 138) = ( 0.2435897 0.4219098 0.7266131), wk = 0.0046512 k( 139) = ( 0.2307692 0.3997040 0.7266131), wk = 0.0046512 k( 140) = ( 0.2179487 0.3774983 0.7266131), wk = 0.0046512 k( 141) = ( 0.2051282 0.3552925 0.7266131), wk = 0.0046512 k( 142) = ( 0.1923077 0.3330867 0.7266131), wk = 0.0046512 k( 143) = ( 0.1794872 0.3108809 0.7266131), wk = 0.0046512 k( 144) = ( 0.1666667 0.2886751 0.7266131), wk = 0.0046512 k( 145) = ( 0.1538461 0.2664693 0.7266131), wk = 0.0046512 k( 146) = ( 0.1410256 0.2442636 0.7266131), wk = 0.0046512 k( 147) = ( 0.1282051 0.2220578 0.7266131), wk = 0.0046512 k( 148) = ( 0.1153846 0.1998520 0.7266131), wk = 0.0046512 k( 149) = ( 0.1025641 0.1776462 0.7266131), wk = 0.0046512 k( 150) = ( 0.0897436 0.1554405 0.7266131), wk = 0.0046512 k( 151) = ( 0.0769231 0.1332347 0.7266131), wk = 0.0046512 k( 152) = ( 0.0641026 0.1110289 0.7266131), wk = 0.0046512 k( 153) = ( 0.0512821 0.0888231 0.7266131), wk = 0.0046512 k( 154) = ( 0.0384615 0.0666173 0.7266131), wk = 0.0046512 k( 155) = ( 0.0256410 0.0444116 0.7266131), wk = 0.0046512 k( 156) = ( 0.0128205 0.0222058 0.7266131), wk = 0.0046512 k( 157) = ( 0.0000000 0.0000000 0.7266131), wk = 0.0046512 k( 158) = ( 0.5000000 0.2886751 0.7266131), wk = 0.0046512 k( 159) = ( 0.5000000 0.2886751 0.7006626), wk = 0.0046512 k( 160) = ( 0.5000000 0.2886751 0.6747122), wk = 0.0046512 k( 161) = ( 0.5000000 0.2886751 0.6487617), wk = 0.0046512 k( 162) = ( 0.5000000 0.2886751 0.6228112), wk = 0.0046512 k( 163) = ( 0.5000000 0.2886751 0.5968608), wk = 0.0046512 k( 164) = ( 0.5000000 0.2886751 0.5709103), wk = 0.0046512 k( 165) = ( 0.5000000 0.2886751 0.5449598), wk = 0.0046512 k( 166) = ( 0.5000000 0.2886751 0.5190094), wk = 0.0046512 k( 167) = ( 0.5000000 0.2886751 0.4930589), wk = 0.0046512 k( 168) = ( 0.5000000 0.2886751 0.4671084), wk = 0.0046512 k( 169) = ( 0.5000000 0.2886751 0.4411580), wk = 0.0046512 k( 170) = ( 0.5000000 0.2886751 0.4152075), wk = 0.0046512 k( 171) = ( 0.5000000 0.2886751 0.3892570), wk = 0.0046512 k( 172) = ( 0.5000000 0.2886751 0.3633066), wk = 0.0046512 k( 173) = ( 0.5000000 0.2886751 0.3373561), wk = 0.0046512 k( 174) = ( 0.5000000 0.2886751 0.3114056), wk = 0.0046512 k( 175) = ( 0.5000000 0.2886751 0.2854551), wk = 0.0046512 k( 176) = ( 0.5000000 0.2886751 0.2595047), wk = 0.0046512 k( 177) = ( 0.5000000 0.2886751 0.2335542), wk = 0.0046512 k( 178) = ( 0.5000000 0.2886751 0.2076037), wk = 0.0046512 k( 179) = ( 0.5000000 0.2886751 0.1816533), wk = 0.0046512 k( 180) = ( 0.5000000 0.2886751 0.1557028), wk = 0.0046512 k( 181) = ( 0.5000000 0.2886751 0.1297523), wk = 0.0046512 k( 182) = ( 0.5000000 0.2886751 0.1038019), wk = 0.0046512 k( 183) = ( 0.5000000 0.2886751 0.0778514), wk = 0.0046512 k( 184) = ( 0.5000000 0.2886751 0.0519009), wk = 0.0046512 k( 185) = ( 0.5000000 0.2886751 0.0259505), wk = 0.0046512 k( 186) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0046512 k( 187) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0046512 k( 188) = ( 0.3333333 0.5773503 0.0259505), wk = 0.0046512 k( 189) = ( 0.3333333 0.5773503 0.0519009), wk = 0.0046512 k( 190) = ( 0.3333333 0.5773503 0.0778514), wk = 0.0046512 k( 191) = ( 0.3333333 0.5773503 0.1038019), wk = 0.0046512 k( 192) = ( 0.3333333 0.5773503 0.1297523), wk = 0.0046512 k( 193) = ( 0.3333333 0.5773503 0.1557028), wk = 0.0046512 k( 194) = ( 0.3333333 0.5773503 0.1816533), wk = 0.0046512 k( 195) = ( 0.3333333 0.5773503 0.2076037), wk = 0.0046512 k( 196) = ( 0.3333333 0.5773503 0.2335542), wk = 0.0046512 k( 197) = ( 0.3333333 0.5773503 0.2595047), wk = 0.0046512 k( 198) = ( 0.3333333 0.5773503 0.2854551), wk = 0.0046512 k( 199) = ( 0.3333333 0.5773503 0.3114056), wk = 0.0046512 k( 200) = ( 0.3333333 0.5773503 0.3373561), wk = 0.0046512 k( 201) = ( 0.3333333 0.5773503 0.3633066), wk = 0.0046512 k( 202) = ( 0.3333333 0.5773503 0.3892570), wk = 0.0046512 k( 203) = ( 0.3333333 0.5773503 0.4152075), wk = 0.0046512 k( 204) = ( 0.3333333 0.5773503 0.4411580), wk = 0.0046512 k( 205) = ( 0.3333333 0.5773503 0.4671084), wk = 0.0046512 k( 206) = ( 0.3333333 0.5773503 0.4930589), wk = 0.0046512 k( 207) = ( 0.3333333 0.5773503 0.5190094), wk = 0.0046512 k( 208) = ( 0.3333333 0.5773503 0.5449598), wk = 0.0046512 k( 209) = ( 0.3333333 0.5773503 0.5709103), wk = 0.0046512 k( 210) = ( 0.3333333 0.5773503 0.5968608), wk = 0.0046512 k( 211) = ( 0.3333333 0.5773503 0.6228112), wk = 0.0046512 k( 212) = ( 0.3333333 0.5773503 0.6487617), wk = 0.0046512 k( 213) = ( 0.3333333 0.5773503 0.6747122), wk = 0.0046512 k( 214) = ( 0.3333333 0.5773503 0.7006626), wk = 0.0046512 k( 215) = ( 0.3333333 0.5773503 0.7266131), wk = 0.0046512 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0046512 k( 2) = ( 0.0227273 -0.0000000 -0.0000000), wk = 0.0046512 k( 3) = ( 0.0454546 -0.0000000 -0.0000000), wk = 0.0046512 k( 4) = ( 0.0681818 -0.0000000 -0.0000000), wk = 0.0046512 k( 5) = ( 0.0909091 -0.0000000 -0.0000000), wk = 0.0046512 k( 6) = ( 0.1136364 -0.0000000 -0.0000000), wk = 0.0046512 k( 7) = ( 0.1363636 -0.0000000 -0.0000000), wk = 0.0046512 k( 8) = ( 0.1590909 -0.0000000 -0.0000000), wk = 0.0046512 k( 9) = ( 0.1818182 -0.0000000 -0.0000000), wk = 0.0046512 k( 10) = ( 0.2045454 0.0000000 -0.0000000), wk = 0.0046512 k( 11) = ( 0.2272727 -0.0000000 -0.0000000), wk = 0.0046512 k( 12) = ( 0.2500000 -0.0000000 -0.0000000), wk = 0.0046512 k( 13) = ( 0.2727273 0.0000000 -0.0000000), wk = 0.0046512 k( 14) = ( 0.2954545 0.0000000 -0.0000000), wk = 0.0046512 k( 15) = ( 0.3181818 -0.0000000 -0.0000000), wk = 0.0046512 k( 16) = ( 0.3409091 -0.0000000 -0.0000000), wk = 0.0046512 k( 17) = ( 0.3636364 -0.0000000 -0.0000000), wk = 0.0046512 k( 18) = ( 0.3863636 0.0000000 -0.0000000), wk = 0.0046512 k( 19) = ( 0.4090909 -0.0000000 -0.0000000), wk = 0.0046512 k( 20) = ( 0.4318182 -0.0000000 -0.0000000), wk = 0.0046512 k( 21) = ( 0.4545455 -0.0000000 -0.0000000), wk = 0.0046512 k( 22) = ( 0.4772727 -0.0000000 -0.0000000), wk = 0.0046512 k( 23) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0046512 k( 24) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0046512 k( 25) = ( 0.4871795 0.0256410 -0.0000000), wk = 0.0046512 k( 26) = ( 0.4743590 0.0512820 -0.0000000), wk = 0.0046512 k( 27) = ( 0.4615385 0.0769231 -0.0000000), wk = 0.0046512 k( 28) = ( 0.4487179 0.1025641 -0.0000000), wk = 0.0046512 k( 29) = ( 0.4358974 0.1282051 0.0000000), wk = 0.0046512 k( 30) = ( 0.4230769 0.1538461 -0.0000000), wk = 0.0046512 k( 31) = ( 0.4102564 0.1794872 -0.0000000), wk = 0.0046512 k( 32) = ( 0.3974359 0.2051282 0.0000000), wk = 0.0046512 k( 33) = ( 0.3846154 0.2307692 -0.0000000), wk = 0.0046512 k( 34) = ( 0.3717949 0.2564103 -0.0000000), wk = 0.0046512 k( 35) = ( 0.3589744 0.2820513 0.0000000), wk = 0.0046512 k( 36) = ( 0.3461538 0.3076923 -0.0000000), wk = 0.0046512 k( 37) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0046512 k( 38) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0046512 k( 39) = ( 0.3205128 0.3205128 -0.0000000), wk = 0.0046512 k( 40) = ( 0.3076923 0.3076923 0.0000000), wk = 0.0046512 k( 41) = ( 0.2948718 0.2948718 0.0000000), wk = 0.0046512 k( 42) = ( 0.2820513 0.2820513 -0.0000000), wk = 0.0046512 k( 43) = ( 0.2692308 0.2692308 0.0000000), wk = 0.0046512 k( 44) = ( 0.2564103 0.2564103 -0.0000000), wk = 0.0046512 k( 45) = ( 0.2435897 0.2435897 0.0000000), wk = 0.0046512 k( 46) = ( 0.2307692 0.2307692 -0.0000000), wk = 0.0046512 k( 47) = ( 0.2179487 0.2179487 -0.0000000), wk = 0.0046512 k( 48) = ( 0.2051282 0.2051282 -0.0000000), wk = 0.0046512 k( 49) = ( 0.1923077 0.1923077 -0.0000000), wk = 0.0046512 k( 50) = ( 0.1794872 0.1794872 -0.0000000), wk = 0.0046512 k( 51) = ( 0.1666667 0.1666667 -0.0000000), wk = 0.0046512 k( 52) = ( 0.1538461 0.1538461 -0.0000000), wk = 0.0046512 k( 53) = ( 0.1410256 0.1410256 -0.0000000), wk = 0.0046512 k( 54) = ( 0.1282051 0.1282051 -0.0000000), wk = 0.0046512 k( 55) = ( 0.1153846 0.1153846 0.0000000), wk = 0.0046512 k( 56) = ( 0.1025641 0.1025641 0.0000000), wk = 0.0046512 k( 57) = ( 0.0897436 0.0897436 -0.0000000), wk = 0.0046512 k( 58) = ( 0.0769231 0.0769231 -0.0000000), wk = 0.0046512 k( 59) = ( 0.0641026 0.0641026 -0.0000000), wk = 0.0046512 k( 60) = ( 0.0512821 0.0512821 0.0000000), wk = 0.0046512 k( 61) = ( 0.0384615 0.0384615 -0.0000000), wk = 0.0046512 k( 62) = ( 0.0256410 0.0256410 -0.0000000), wk = 0.0046512 k( 63) = ( 0.0128205 0.0128205 0.0000000), wk = 0.0046512 k( 64) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0046512 k( 65) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0046512 k( 66) = ( 0.0000000 0.0000000 0.0178571), wk = 0.0046512 k( 67) = ( 0.0000000 0.0000000 0.0357143), wk = 0.0046512 k( 68) = ( 0.0000000 0.0000000 0.0535714), wk = 0.0046512 k( 69) = ( 0.0000000 0.0000000 0.0714286), wk = 0.0046512 k( 70) = ( 0.0000000 0.0000000 0.0892857), wk = 0.0046512 k( 71) = ( 0.0000000 0.0000000 0.1071429), wk = 0.0046512 k( 72) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0046512 k( 73) = ( 0.0000000 0.0000000 0.1428571), wk = 0.0046512 k( 74) = ( 0.0000000 0.0000000 0.1607143), wk = 0.0046512 k( 75) = ( 0.0000000 0.0000000 0.1785714), wk = 0.0046512 k( 76) = ( 0.0000000 0.0000000 0.1964286), wk = 0.0046512 k( 77) = ( 0.0000000 0.0000000 0.2142857), wk = 0.0046512 k( 78) = ( 0.0000000 0.0000000 0.2321429), wk = 0.0046512 k( 79) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0046512 k( 80) = ( 0.0000000 0.0000000 0.2678571), wk = 0.0046512 k( 81) = ( 0.0000000 0.0000000 0.2857143), wk = 0.0046512 k( 82) = ( 0.0000000 0.0000000 0.3035714), wk = 0.0046512 k( 83) = ( 0.0000000 0.0000000 0.3214286), wk = 0.0046512 k( 84) = ( 0.0000000 0.0000000 0.3392857), wk = 0.0046512 k( 85) = ( 0.0000000 0.0000000 0.3571429), wk = 0.0046512 k( 86) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0046512 k( 87) = ( 0.0000000 0.0000000 0.3928571), wk = 0.0046512 k( 88) = ( 0.0000000 0.0000000 0.4107143), wk = 0.0046512 k( 89) = ( 0.0000000 0.0000000 0.4285714), wk = 0.0046512 k( 90) = ( 0.0000000 0.0000000 0.4464286), wk = 0.0046512 k( 91) = ( 0.0000000 0.0000000 0.4642857), wk = 0.0046512 k( 92) = ( 0.0000000 0.0000000 0.4821429), wk = 0.0046512 k( 93) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0046512 k( 94) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0046512 k( 95) = ( 0.0227273 -0.0000000 0.5000000), wk = 0.0046512 k( 96) = ( 0.0454546 -0.0000000 0.5000000), wk = 0.0046512 k( 97) = ( 0.0681818 -0.0000000 0.5000000), wk = 0.0046512 k( 98) = ( 0.0909091 -0.0000000 0.5000000), wk = 0.0046512 k( 99) = ( 0.1136364 -0.0000000 0.5000000), wk = 0.0046512 k( 100) = ( 0.1363636 -0.0000000 0.5000000), wk = 0.0046512 k( 101) = ( 0.1590909 -0.0000000 0.5000000), wk = 0.0046512 k( 102) = ( 0.1818182 -0.0000000 0.5000000), wk = 0.0046512 k( 103) = ( 0.2045454 0.0000000 0.5000000), wk = 0.0046512 k( 104) = ( 0.2272727 -0.0000000 0.5000000), wk = 0.0046512 k( 105) = ( 0.2500000 -0.0000000 0.5000000), wk = 0.0046512 k( 106) = ( 0.2727273 0.0000000 0.5000000), wk = 0.0046512 k( 107) = ( 0.2954545 0.0000000 0.5000000), wk = 0.0046512 k( 108) = ( 0.3181818 -0.0000000 0.5000000), wk = 0.0046512 k( 109) = ( 0.3409091 -0.0000000 0.5000000), wk = 0.0046512 k( 110) = ( 0.3636364 -0.0000000 0.5000000), wk = 0.0046512 k( 111) = ( 0.3863636 0.0000000 0.5000000), wk = 0.0046512 k( 112) = ( 0.4090909 -0.0000000 0.5000000), wk = 0.0046512 k( 113) = ( 0.4318182 -0.0000000 0.5000000), wk = 0.0046512 k( 114) = ( 0.4545455 -0.0000000 0.5000000), wk = 0.0046512 k( 115) = ( 0.4772727 -0.0000000 0.5000000), wk = 0.0046512 k( 116) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0046512 k( 117) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0046512 k( 118) = ( 0.4871795 0.0256410 0.5000000), wk = 0.0046512 k( 119) = ( 0.4743590 0.0512820 0.5000000), wk = 0.0046512 k( 120) = ( 0.4615385 0.0769231 0.5000000), wk = 0.0046512 k( 121) = ( 0.4487179 0.1025641 0.5000000), wk = 0.0046512 k( 122) = ( 0.4358974 0.1282051 0.5000000), wk = 0.0046512 k( 123) = ( 0.4230769 0.1538461 0.5000000), wk = 0.0046512 k( 124) = ( 0.4102564 0.1794872 0.5000000), wk = 0.0046512 k( 125) = ( 0.3974359 0.2051282 0.5000000), wk = 0.0046512 k( 126) = ( 0.3846154 0.2307692 0.5000000), wk = 0.0046512 k( 127) = ( 0.3717949 0.2564103 0.5000000), wk = 0.0046512 k( 128) = ( 0.3589744 0.2820513 0.5000000), wk = 0.0046512 k( 129) = ( 0.3461538 0.3076923 0.5000000), wk = 0.0046512 k( 130) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0046512 k( 131) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0046512 k( 132) = ( 0.3205128 0.3205128 0.5000000), wk = 0.0046512 k( 133) = ( 0.3076923 0.3076923 0.5000000), wk = 0.0046512 k( 134) = ( 0.2948718 0.2948718 0.5000000), wk = 0.0046512 k( 135) = ( 0.2820513 0.2820513 0.5000000), wk = 0.0046512 k( 136) = ( 0.2692308 0.2692308 0.5000000), wk = 0.0046512 k( 137) = ( 0.2564103 0.2564103 0.5000000), wk = 0.0046512 k( 138) = ( 0.2435897 0.2435897 0.5000000), wk = 0.0046512 k( 139) = ( 0.2307692 0.2307692 0.5000000), wk = 0.0046512 k( 140) = ( 0.2179487 0.2179487 0.5000000), wk = 0.0046512 k( 141) = ( 0.2051282 0.2051282 0.5000000), wk = 0.0046512 k( 142) = ( 0.1923077 0.1923077 0.5000000), wk = 0.0046512 k( 143) = ( 0.1794872 0.1794872 0.5000000), wk = 0.0046512 k( 144) = ( 0.1666667 0.1666667 0.5000000), wk = 0.0046512 k( 145) = ( 0.1538461 0.1538461 0.5000000), wk = 0.0046512 k( 146) = ( 0.1410256 0.1410256 0.5000000), wk = 0.0046512 k( 147) = ( 0.1282051 0.1282051 0.5000000), wk = 0.0046512 k( 148) = ( 0.1153846 0.1153846 0.5000000), wk = 0.0046512 k( 149) = ( 0.1025641 0.1025641 0.5000000), wk = 0.0046512 k( 150) = ( 0.0897436 0.0897436 0.5000000), wk = 0.0046512 k( 151) = ( 0.0769231 0.0769231 0.5000000), wk = 0.0046512 k( 152) = ( 0.0641026 0.0641026 0.5000000), wk = 0.0046512 k( 153) = ( 0.0512821 0.0512821 0.5000000), wk = 0.0046512 k( 154) = ( 0.0384615 0.0384615 0.5000000), wk = 0.0046512 k( 155) = ( 0.0256410 0.0256410 0.5000000), wk = 0.0046512 k( 156) = ( 0.0128205 0.0128205 0.5000000), wk = 0.0046512 k( 157) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0046512 k( 158) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0046512 k( 159) = ( 0.5000000 -0.0000000 0.4821429), wk = 0.0046512 k( 160) = ( 0.5000000 -0.0000000 0.4642857), wk = 0.0046512 k( 161) = ( 0.5000000 -0.0000000 0.4464286), wk = 0.0046512 k( 162) = ( 0.5000000 -0.0000000 0.4285714), wk = 0.0046512 k( 163) = ( 0.5000000 -0.0000000 0.4107143), wk = 0.0046512 k( 164) = ( 0.5000000 -0.0000000 0.3928571), wk = 0.0046512 k( 165) = ( 0.5000000 -0.0000000 0.3750000), wk = 0.0046512 k( 166) = ( 0.5000000 -0.0000000 0.3571429), wk = 0.0046512 k( 167) = ( 0.5000000 -0.0000000 0.3392857), wk = 0.0046512 k( 168) = ( 0.5000000 -0.0000000 0.3214286), wk = 0.0046512 k( 169) = ( 0.5000000 -0.0000000 0.3035714), wk = 0.0046512 k( 170) = ( 0.5000000 -0.0000000 0.2857143), wk = 0.0046512 k( 171) = ( 0.5000000 -0.0000000 0.2678571), wk = 0.0046512 k( 172) = ( 0.5000000 -0.0000000 0.2500000), wk = 0.0046512 k( 173) = ( 0.5000000 -0.0000000 0.2321429), wk = 0.0046512 k( 174) = ( 0.5000000 -0.0000000 0.2142857), wk = 0.0046512 k( 175) = ( 0.5000000 -0.0000000 0.1964286), wk = 0.0046512 k( 176) = ( 0.5000000 -0.0000000 0.1785714), wk = 0.0046512 k( 177) = ( 0.5000000 -0.0000000 0.1607143), wk = 0.0046512 k( 178) = ( 0.5000000 -0.0000000 0.1428571), wk = 0.0046512 k( 179) = ( 0.5000000 -0.0000000 0.1250000), wk = 0.0046512 k( 180) = ( 0.5000000 -0.0000000 0.1071429), wk = 0.0046512 k( 181) = ( 0.5000000 -0.0000000 0.0892857), wk = 0.0046512 k( 182) = ( 0.5000000 -0.0000000 0.0714286), wk = 0.0046512 k( 183) = ( 0.5000000 -0.0000000 0.0535714), wk = 0.0046512 k( 184) = ( 0.5000000 -0.0000000 0.0357143), wk = 0.0046512 k( 185) = ( 0.5000000 -0.0000000 0.0178571), wk = 0.0046512 k( 186) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0046512 k( 187) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0046512 k( 188) = ( 0.3333333 0.3333333 0.0178571), wk = 0.0046512 k( 189) = ( 0.3333333 0.3333333 0.0357143), wk = 0.0046512 k( 190) = ( 0.3333333 0.3333333 0.0535714), wk = 0.0046512 k( 191) = ( 0.3333333 0.3333333 0.0714286), wk = 0.0046512 k( 192) = ( 0.3333333 0.3333333 0.0892857), wk = 0.0046512 k( 193) = ( 0.3333333 0.3333333 0.1071429), wk = 0.0046512 k( 194) = ( 0.3333333 0.3333333 0.1250000), wk = 0.0046512 k( 195) = ( 0.3333333 0.3333333 0.1428571), wk = 0.0046512 k( 196) = ( 0.3333333 0.3333333 0.1607143), wk = 0.0046512 k( 197) = ( 0.3333333 0.3333333 0.1785714), wk = 0.0046512 k( 198) = ( 0.3333333 0.3333333 0.1964286), wk = 0.0046512 k( 199) = ( 0.3333333 0.3333333 0.2142857), wk = 0.0046512 k( 200) = ( 0.3333333 0.3333333 0.2321429), wk = 0.0046512 k( 201) = ( 0.3333333 0.3333333 0.2500000), wk = 0.0046512 k( 202) = ( 0.3333333 0.3333333 0.2678571), wk = 0.0046512 k( 203) = ( 0.3333333 0.3333333 0.2857143), wk = 0.0046512 k( 204) = ( 0.3333333 0.3333333 0.3035714), wk = 0.0046512 k( 205) = ( 0.3333333 0.3333333 0.3214286), wk = 0.0046512 k( 206) = ( 0.3333333 0.3333333 0.3392857), wk = 0.0046512 k( 207) = ( 0.3333333 0.3333333 0.3571429), wk = 0.0046512 k( 208) = ( 0.3333333 0.3333333 0.3750000), wk = 0.0046512 k( 209) = ( 0.3333333 0.3333333 0.3928571), wk = 0.0046512 k( 210) = ( 0.3333333 0.3333333 0.4107143), wk = 0.0046512 k( 211) = ( 0.3333333 0.3333333 0.4285714), wk = 0.0046512 k( 212) = ( 0.3333333 0.3333333 0.4464286), wk = 0.0046512 k( 213) = ( 0.3333333 0.3333333 0.4642857), wk = 0.0046512 k( 214) = ( 0.3333333 0.3333333 0.4821429), wk = 0.0046512 k( 215) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0046512 Dense grid: 229761 G-vectors FFT dimensions: ( 96, 96, 64) Smooth grid: 109891 G-vectors FFT dimensions: ( 72, 72, 50) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.57 Mb ( 396, 94) NL pseudopotentials 1.18 Mb ( 198, 392) Each V/rho on FFT grid 0.14 Mb ( 9216) Each G-vector array 0.02 Mb ( 3193) G-vector shells 0.01 Mb ( 1485) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 2.27 Mb ( 396, 376) Each subspace H/S matrix 0.06 Mb ( 62, 62) Each matrix 1.12 Mb ( 392, 2, 94) The potential is recalculated from file : ./Zr5Sb3C.save/charge-density.dat Starting wfc are 244 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 5.7 secs Computing kpt #: 2 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 12.8 secs Computing kpt #: 3 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 19.7 secs Computing kpt #: 4 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 26.3 secs Computing kpt #: 5 total cpu time spent up to now is 32.6 secs Computing kpt #: 6 total cpu time spent up to now is 39.0 secs Computing kpt #: 7 total cpu time spent up to now is 45.5 secs Computing kpt #: 8 total cpu time spent up to now is 51.6 secs Computing kpt #: 9 total cpu time spent up to now is 56.3 secs Computing kpt #: 10 total cpu time spent up to now is 60.4 secs Computing kpt #: 11 total cpu time spent up to now is 64.5 secs Computing kpt #: 12 total cpu time spent up to now is 68.8 secs Computing kpt #: 13 total cpu time spent up to now is 72.9 secs Computing kpt #: 14 total cpu time spent up to now is 77.1 secs Computing kpt #: 15 total cpu time spent up to now is 81.3 secs Computing kpt #: 16 total cpu time spent up to now is 86.2 secs Computing kpt #: 17 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 92.6 secs Computing kpt #: 18 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 99.2 secs Computing kpt #: 19 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 105.6 secs Computing kpt #: 20 total cpu time spent up to now is 110.9 secs Computing kpt #: 21 total cpu time spent up to now is 115.5 secs Computing kpt #: 22 total cpu time spent up to now is 120.1 secs Computing kpt #: 23 total cpu time spent up to now is 124.8 secs Computing kpt #: 24 total cpu time spent up to now is 129.4 secs Computing kpt #: 25 total cpu time spent up to now is 134.0 secs Computing kpt #: 26 total cpu time spent up to now is 138.3 secs Computing kpt #: 27 total cpu time spent up to now is 142.4 secs Computing kpt #: 28 total cpu time spent up to now is 146.4 secs Computing kpt #: 29 total cpu time spent up to now is 150.4 secs Computing kpt #: 30 total cpu time spent up to now is 154.4 secs Computing kpt #: 31 total cpu time spent up to now is 158.4 secs Computing kpt #: 32 total cpu time spent up to now is 162.4 secs Computing kpt #: 33 total cpu time spent up to now is 166.5 secs Computing kpt #: 34 total cpu time spent up to now is 171.2 secs Computing kpt #: 35 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 177.6 secs Computing kpt #: 36 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 184.6 secs Computing kpt #: 37 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 191.0 secs Computing kpt #: 38 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 197.5 secs Computing kpt #: 39 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 203.9 secs Computing kpt #: 40 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 210.2 secs Computing kpt #: 41 total cpu time spent up to now is 214.4 secs Computing kpt #: 42 total cpu time spent up to now is 218.5 secs Computing kpt #: 43 total cpu time spent up to now is 222.5 secs Computing kpt #: 44 total cpu time spent up to now is 226.6 secs Computing kpt #: 45 total cpu time spent up to now is 230.5 secs Computing kpt #: 46 total cpu time spent up to now is 235.0 secs Computing kpt #: 47 total cpu time spent up to now is 239.8 secs Computing kpt #: 48 total cpu time spent up to now is 246.2 secs Computing kpt #: 49 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 253.2 secs Computing kpt #: 50 total cpu time spent up to now is 259.9 secs Computing kpt #: 51 total cpu time spent up to now is 264.7 secs Computing kpt #: 52 total cpu time spent up to now is 269.2 secs Computing kpt #: 53 total cpu time spent up to now is 273.5 secs Computing kpt #: 54 total cpu time spent up to now is 277.8 secs Computing kpt #: 55 total cpu time spent up to now is 282.4 secs Computing kpt #: 56 total cpu time spent up to now is 287.0 secs Computing kpt #: 57 total cpu time spent up to now is 292.7 secs Computing kpt #: 58 total cpu time spent up to now is 298.9 secs Computing kpt #: 59 total cpu time spent up to now is 305.0 secs Computing kpt #: 60 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 311.6 secs Computing kpt #: 61 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 318.2 secs Computing kpt #: 62 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 325.1 secs Computing kpt #: 63 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 332.2 secs Computing kpt #: 64 total cpu time spent up to now is 335.8 secs Computing kpt #: 65 total cpu time spent up to now is 339.4 secs Computing kpt #: 66 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 346.1 secs Computing kpt #: 67 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 352.6 secs Computing kpt #: 68 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 359.2 secs Computing kpt #: 69 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 365.9 secs Computing kpt #: 70 total cpu time spent up to now is 371.7 secs Computing kpt #: 71 total cpu time spent up to now is 376.8 secs Computing kpt #: 72 total cpu time spent up to now is 382.4 secs Computing kpt #: 73 total cpu time spent up to now is 389.0 secs Computing kpt #: 74 total cpu time spent up to now is 395.8 secs Computing kpt #: 75 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 402.8 secs Computing kpt #: 76 total cpu time spent up to now is 409.5 secs Computing kpt #: 77 total cpu time spent up to now is 501.7 secs Computing kpt #: 78 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 508.8 secs Computing kpt #: 79 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 516.0 secs Computing kpt #: 80 c_bands: 3 eigenvalues not converged total cpu time spent up to now is 523.1 secs Computing kpt #: 81 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 530.4 secs Computing kpt #: 82 total cpu time spent up to now is 536.4 secs Computing kpt #: 83 total cpu time spent up to now is 543.2 secs Computing kpt #: 84 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 550.4 secs Computing kpt #: 85 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 557.9 secs Computing kpt #: 86 c_bands: 3 eigenvalues not converged total cpu time spent up to now is 565.2 secs Computing kpt #: 87 c_bands: 3 eigenvalues not converged total cpu time spent up to now is 572.7 secs Computing kpt #: 88 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 580.0 secs Computing kpt #: 89 c_bands: 3 eigenvalues not converged total cpu time spent up to now is 587.3 secs Computing kpt #: 90 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 594.8 secs Computing kpt #: 91 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 602.0 secs Computing kpt #: 92 c_bands: 5 eigenvalues not converged total cpu time spent up to now is 609.5 secs Computing kpt #: 93 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 616.5 secs Computing kpt #: 94 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 623.5 secs Computing kpt #: 95 total cpu time spent up to now is 629.6 secs Computing kpt #: 96 total cpu time spent up to now is 635.0 secs Computing kpt #: 97 total cpu time spent up to now is 640.8 secs Computing kpt #: 98 total cpu time spent up to now is 684.6 secs Computing kpt #: 99 total cpu time spent up to now is 690.8 secs Computing kpt #: 100 total cpu time spent up to now is 697.1 secs Computing kpt #: 101 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 703.8 secs Computing kpt #: 102 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 710.5 secs Computing kpt #: 103 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 717.3 secs Computing kpt #: 104 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 724.0 secs Computing kpt #: 105 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 730.6 secs Computing kpt #: 106 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 737.2 secs Computing kpt #: 107 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 744.0 secs Computing kpt #: 108 total cpu time spent up to now is 749.0 secs Computing kpt #: 109 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 755.6 secs Computing kpt #: 110 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 762.2 secs Computing kpt #: 111 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 768.8 secs Computing kpt #: 112 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 775.4 secs Computing kpt #: 113 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 782.3 secs Computing kpt #: 114 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 788.9 secs Computing kpt #: 115 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 795.4 secs Computing kpt #: 116 total cpu time spent up to now is 799.5 secs Computing kpt #: 117 total cpu time spent up to now is 803.6 secs Computing kpt #: 118 total cpu time spent up to now is 807.9 secs Computing kpt #: 119 total cpu time spent up to now is 812.2 secs Computing kpt #: 120 total cpu time spent up to now is 816.4 secs Computing kpt #: 121 total cpu time spent up to now is 820.8 secs Computing kpt #: 122 total cpu time spent up to now is 825.6 secs Computing kpt #: 123 total cpu time spent up to now is 830.6 secs Computing kpt #: 124 total cpu time spent up to now is 835.6 secs Computing kpt #: 125 total cpu time spent up to now is 840.6 secs Computing kpt #: 126 total cpu time spent up to now is 845.6 secs Computing kpt #: 127 total cpu time spent up to now is 850.7 secs Computing kpt #: 128 total cpu time spent up to now is 856.2 secs Computing kpt #: 129 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 862.8 secs Computing kpt #: 130 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 869.5 secs Computing kpt #: 131 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 876.1 secs Computing kpt #: 132 total cpu time spent up to now is 882.7 secs Computing kpt #: 133 total cpu time spent up to now is 889.2 secs Computing kpt #: 134 total cpu time spent up to now is 894.9 secs Computing kpt #: 135 total cpu time spent up to now is 900.3 secs Computing kpt #: 136 total cpu time spent up to now is 905.8 secs Computing kpt #: 137 total cpu time spent up to now is 911.2 secs Computing kpt #: 138 total cpu time spent up to now is 916.7 secs Computing kpt #: 139 total cpu time spent up to now is 922.2 secs Computing kpt #: 140 total cpu time spent up to now is 928.2 secs Computing kpt #: 141 total cpu time spent up to now is 934.9 secs Computing kpt #: 142 total cpu time spent up to now is 941.7 secs Computing kpt #: 143 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 948.6 secs Computing kpt #: 144 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 955.5 secs Computing kpt #: 145 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 962.2 secs Computing kpt #: 146 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 968.9 secs Computing kpt #: 147 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 975.5 secs Computing kpt #: 148 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 982.2 secs Computing kpt #: 149 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 988.8 secs Computing kpt #: 150 total cpu time spent up to now is 994.4 secs Computing kpt #: 151 total cpu time spent up to now is 999.6 secs Computing kpt #: 152 total cpu time spent up to now is 1004.7 secs Computing kpt #: 153 total cpu time spent up to now is 1009.7 secs Computing kpt #: 154 total cpu time spent up to now is 1015.2 secs Computing kpt #: 155 total cpu time spent up to now is 1020.5 secs Computing kpt #: 156 total cpu time spent up to now is 1026.1 secs Computing kpt #: 157 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1033.0 secs Computing kpt #: 158 total cpu time spent up to now is 1037.0 secs Computing kpt #: 159 total cpu time spent up to now is 1041.1 secs Computing kpt #: 160 total cpu time spent up to now is 1045.2 secs Computing kpt #: 161 total cpu time spent up to now is 1049.4 secs Computing kpt #: 162 total cpu time spent up to now is 1053.8 secs Computing kpt #: 163 total cpu time spent up to now is 1059.8 secs Computing kpt #: 164 total cpu time spent up to now is 1064.6 secs Computing kpt #: 165 total cpu time spent up to now is 1069.4 secs Computing kpt #: 166 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1076.1 secs Computing kpt #: 167 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1083.1 secs Computing kpt #: 168 total cpu time spent up to now is 1089.0 secs Computing kpt #: 169 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1095.5 secs Computing kpt #: 170 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1102.1 secs Computing kpt #: 171 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1108.7 secs Computing kpt #: 172 total cpu time spent up to now is 1113.0 secs Computing kpt #: 173 total cpu time spent up to now is 1117.1 secs Computing kpt #: 174 total cpu time spent up to now is 1121.3 secs Computing kpt #: 175 total cpu time spent up to now is 1125.4 secs Computing kpt #: 176 total cpu time spent up to now is 1129.7 secs Computing kpt #: 177 total cpu time spent up to now is 1135.3 secs Computing kpt #: 178 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1141.9 secs Computing kpt #: 179 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1148.7 secs Computing kpt #: 180 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 1155.8 secs Computing kpt #: 181 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 1162.6 secs Computing kpt #: 182 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1169.3 secs Computing kpt #: 183 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1175.9 secs Computing kpt #: 184 total cpu time spent up to now is 1182.3 secs Computing kpt #: 185 total cpu time spent up to now is 1187.8 secs Computing kpt #: 186 total cpu time spent up to now is 1192.6 secs Computing kpt #: 187 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1199.1 secs Computing kpt #: 188 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1205.6 secs Computing kpt #: 189 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1212.0 secs Computing kpt #: 190 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1218.4 secs Computing kpt #: 191 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 1225.3 secs Computing kpt #: 192 total cpu time spent up to now is 1229.6 secs Computing kpt #: 193 total cpu time spent up to now is 1233.8 secs Computing kpt #: 194 total cpu time spent up to now is 1238.2 secs Computing kpt #: 195 total cpu time spent up to now is 1243.9 secs Computing kpt #: 196 total cpu time spent up to now is 1249.9 secs Computing kpt #: 197 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1256.3 secs Computing kpt #: 198 total cpu time spent up to now is 1261.7 secs Computing kpt #: 199 total cpu time spent up to now is 1265.9 secs Computing kpt #: 200 total cpu time spent up to now is 1269.8 secs Computing kpt #: 201 total cpu time spent up to now is 1273.3 secs Computing kpt #: 202 total cpu time spent up to now is 1276.7 secs Computing kpt #: 203 total cpu time spent up to now is 1280.1 secs Computing kpt #: 204 total cpu time spent up to now is 1283.5 secs Computing kpt #: 205 total cpu time spent up to now is 1287.0 secs Computing kpt #: 206 total cpu time spent up to now is 1290.5 secs Computing kpt #: 207 total cpu time spent up to now is 1294.4 secs Computing kpt #: 208 total cpu time spent up to now is 1298.4 secs Computing kpt #: 209 total cpu time spent up to now is 1302.7 secs Computing kpt #: 210 total cpu time spent up to now is 1308.1 secs Computing kpt #: 211 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 1315.1 secs Computing kpt #: 212 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1321.9 secs Computing kpt #: 213 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1328.5 secs Computing kpt #: 214 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1335.2 secs Computing kpt #: 215 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1341.8 secs ethr = 1.28E-08, avg # of iterations = 88.0 total cpu time spent up to now is 1341.8 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 13747 PWs) bands (ev): -1.5695 -1.5695 -0.2437 -0.2437 -0.2431 -0.2431 0.4972 0.4972 0.5090 0.5090 0.8576 0.8576 1.0233 1.0233 2.3215 2.3215 4.6351 4.6351 4.9574 4.9574 5.4650 5.4650 5.6289 5.6289 5.8057 5.8057 5.9740 5.9740 5.9923 5.9923 6.1420 6.1420 6.4471 6.4471 6.5768 6.5768 6.6866 6.6866 6.9736 6.9736 7.1670 7.1670 7.4833 7.4833 7.5977 7.5977 7.6072 7.6072 8.1713 8.1713 8.4494 8.4494 8.4610 8.4610 8.5724 8.5724 8.8783 8.8783 8.8898 8.8898 8.9761 8.9761 8.9835 8.9835 9.0467 9.0467 9.0616 9.0616 9.3603 9.3603 9.3660 9.3660 9.4048 9.4048 10.1815 10.1815 11.1589 11.1589 11.2513 11.2513 11.6221 11.6221 11.7060 11.7060 11.7553 11.7553 11.7575 11.7575 11.9129 11.9129 11.9354 11.9354 11.9374 11.9374 k = 0.0227 0.0131-0.0000 ( 13727 PWs) bands (ev): -1.5681 -1.5681 -0.2450 -0.2450 -0.2439 -0.2439 0.4961 0.4961 0.5082 0.5082 0.8577 0.8577 1.0250 1.0250 2.3215 2.3215 4.6353 4.6353 4.9579 4.9579 5.4661 5.4661 5.6299 5.6299 5.8075 5.8075 5.9766 5.9766 5.9910 5.9910 6.1420 6.1420 6.4469 6.4469 6.5761 6.5761 6.6817 6.6817 6.9738 6.9738 7.1665 7.1665 7.4873 7.4873 7.5999 7.5999 7.6083 7.6083 8.1753 8.1753 8.4450 8.4450 8.4595 8.4595 8.5740 8.5740 8.8773 8.8773 8.8887 8.8887 8.9670 8.9670 8.9760 8.9760 9.0527 9.0527 9.0672 9.0672 9.3596 9.3596 9.3662 9.3662 9.4045 9.4045 10.1870 10.1870 11.1572 11.1572 11.2494 11.2494 11.6189 11.6189 11.6915 11.6915 11.7436 11.7436 11.7601 11.7601 11.9183 11.9183 11.9296 11.9296 11.9384 11.9384 k = 0.0455 0.0262-0.0000 ( 13747 PWs) bands (ev): -1.5638 -1.5638 -0.2497 -0.2497 -0.2459 -0.2459 0.4909 0.4909 0.5078 0.5078 0.8581 0.8581 1.0298 1.0298 2.3214 2.3214 4.6362 4.6362 4.9594 4.9594 5.4691 5.4691 5.6329 5.6329 5.8125 5.8125 5.9843 5.9843 5.9874 5.9874 6.1422 6.1422 6.4456 6.4456 6.5748 6.5748 6.6675 6.6675 6.9744 6.9744 7.1650 7.1650 7.4985 7.4985 7.6059 7.6059 7.6124 7.6124 8.1871 8.1871 8.4317 8.4317 8.4550 8.4550 8.5791 8.5791 8.8742 8.8742 8.8852 8.8852 8.9436 8.9436 8.9594 8.9594 9.0656 9.0656 9.0795 9.0795 9.3541 9.3541 9.3702 9.3702 9.4036 9.4036 10.2030 10.2030 11.1519 11.1519 11.2435 11.2435 11.6097 11.6097 11.6547 11.6547 11.7199 11.7199 11.7644 11.7644 11.8935 11.8935 11.9284 11.9284 11.9726 11.9727 k = 0.0682 0.0394-0.0000 ( 13761 PWs) bands (ev): -1.5567 -1.5567 -0.2577 -0.2577 -0.2490 -0.2490 0.4801 0.4801 0.5098 0.5098 0.8586 0.8586 1.0375 1.0375 2.3213 2.3213 4.6376 4.6376 4.9621 4.9621 5.4742 5.4742 5.6378 5.6378 5.8199 5.8199 5.9812 5.9812 5.9971 5.9971 6.1430 6.1430 6.4418 6.4418 6.5752 6.5752 6.6448 6.6448 6.9748 6.9748 7.1629 7.1629 7.5151 7.5151 7.6128 7.6128 7.6231 7.6231 8.2064 8.2064 8.4091 8.4091 8.4475 8.4475 8.5883 8.5883 8.8691 8.8691 8.8793 8.8793 8.9122 8.9122 8.9388 8.9388 9.0801 9.0801 9.0934 9.0934 9.3437 9.3437 9.3778 9.3778 9.4025 9.4025 10.2290 10.2290 11.1430 11.1430 11.2334 11.2334 11.5951 11.5951 11.6078 11.6078 11.6916 11.6916 11.7680 11.7680 11.8639 11.8639 11.9208 11.9208 11.9798 11.9798 k = 0.0909 0.0525-0.0000 ( 13763 PWs) bands (ev): -1.5467 -1.5467 -0.2689 -0.2689 -0.2532 -0.2532 0.4649 0.4649 0.5134 0.5134 0.8595 0.8595 1.0475 1.0475 2.3211 2.3211 4.6400 4.6400 4.9657 4.9657 5.4810 5.4810 5.6447 5.6447 5.8283 5.8283 5.9733 5.9733 6.0148 6.0148 6.1454 6.1454 6.4343 6.4343 6.5799 6.5799 6.6148 6.6148 6.9743 6.9743 7.1606 7.1606 7.5344 7.5344 7.6204 7.6204 7.6417 7.6417 8.2328 8.2328 8.3773 8.3773 8.4371 8.4371 8.6016 8.6016 8.8619 8.8619 8.8681 8.8681 8.8791 8.8791 8.9157 8.9157 9.0944 9.0944 9.1069 9.1069 9.3297 9.3297 9.3865 9.3865 9.4026 9.4026 10.2638 10.2638 11.1300 11.1300 11.2187 11.2187 11.5571 11.5571 11.5773 11.5773 11.6593 11.6593 11.7713 11.7713 11.8299 11.8299 11.9104 11.9104 11.9856 11.9856 k = 0.1136 0.0656-0.0000 ( 13757 PWs) bands (ev): -1.5339 -1.5339 -0.2833 -0.2833 -0.2583 -0.2583 0.4466 0.4466 0.5182 0.5182 0.8605 0.8605 1.0591 1.0591 2.3209 2.3209 4.6433 4.6433 4.9704 4.9704 5.4892 5.4892 5.6533 5.6533 5.8357 5.8357 5.9648 5.9648 6.0369 6.0369 6.1499 6.1499 6.4231 6.4231 6.5752 6.5752 6.5939 6.5939 6.9723 6.9723 7.1586 7.1586 7.5536 7.5536 7.6305 7.6305 7.6674 7.6674 8.2654 8.2654 8.3369 8.3369 8.4239 8.4239 8.6187 8.6187 8.8333 8.8333 8.8529 8.8529 8.8639 8.8639 8.8910 8.8910 9.1079 9.1079 9.1193 9.1193 9.3128 9.3128 9.3902 9.3902 9.4094 9.4094 10.3062 10.3062 11.1121 11.1121 11.1993 11.1993 11.5067 11.5067 11.5569 11.5569 11.6237 11.6237 11.7749 11.7749 11.7918 11.7918 11.8978 11.8978 11.9883 11.9883 k = 0.1364 0.0787-0.0000 ( 13761 PWs) bands (ev): -1.5184 -1.5184 -0.3011 -0.3011 -0.2643 -0.2643 0.4260 0.4260 0.5239 0.5239 0.8619 0.8619 1.0718 1.0718 2.3207 2.3207 4.6478 4.6478 4.9761 4.9761 5.4985 5.4985 5.6634 5.6634 5.8390 5.8390 5.9580 5.9580 6.0632 6.0632 6.1574 6.1574 6.4099 6.4099 6.5348 6.5348 6.6093 6.6093 6.9684 6.9684 7.1577 7.1577 7.5708 7.5708 7.6438 7.6438 7.6991 7.6991 8.2840 8.2840 8.3083 8.3083 8.4081 8.4081 8.6391 8.6391 8.7915 8.7915 8.8414 8.8414 8.8516 8.8516 8.8656 8.8656 9.1204 9.1204 9.1307 9.1307 9.2938 9.2938 9.3882 9.3882 9.4233 9.4233 10.3547 10.3547 11.0881 11.0881 11.1760 11.1760 11.4567 11.4567 11.5359 11.5359 11.5862 11.5862 11.7493 11.7493 11.7804 11.7804 11.8835 11.8835 11.9883 11.9883 k = 0.1591 0.0919-0.0000 ( 13755 PWs) bands (ev): -1.5001 -1.5001 -0.3223 -0.3223 -0.2710 -0.2710 0.4042 0.4042 0.5301 0.5301 0.8636 0.8636 1.0852 1.0852 2.3204 2.3204 4.6538 4.6538 4.9829 4.9829 5.5083 5.5083 5.6747 5.6747 5.8351 5.8351 5.9556 5.9556 6.0929 6.0929 6.1679 6.1679 6.3973 6.3973 6.4895 6.4895 6.6301 6.6301 6.9628 6.9628 7.1583 7.1583 7.5857 7.5857 7.6607 7.6607 7.7347 7.7347 8.2306 8.2306 8.3495 8.3495 8.3901 8.3901 8.6620 8.6620 8.7481 8.7481 8.8254 8.8254 8.8377 8.8377 8.8421 8.8421 9.1318 9.1318 9.1409 9.1409 9.2737 9.2737 9.3843 9.3843 9.4399 9.4399 10.4078 10.4078 11.0561 11.0561 11.1507 11.1507 11.4077 11.4077 11.5151 11.5151 11.5492 11.5492 11.7034 11.7034 11.7879 11.7880 11.8681 11.8681 11.9862 11.9862 k = 0.1818 0.1050-0.0000 ( 13757 PWs) bands (ev): -1.4791 -1.4791 -0.3468 -0.3468 -0.2782 -0.2782 0.3818 0.3818 0.5367 0.5367 0.8656 0.8656 1.0986 1.0986 2.3201 2.3201 4.6614 4.6614 4.9908 4.9908 5.5176 5.5176 5.6868 5.6868 5.8228 5.8228 5.9585 5.9585 6.1254 6.1254 6.1812 6.1812 6.3877 6.3877 6.4421 6.4421 6.6536 6.6536 6.9562 6.9562 7.1606 7.1606 7.5986 7.5986 7.6809 7.6809 7.7717 7.7717 8.1690 8.1690 8.3702 8.3702 8.3975 8.3975 8.6843 8.6843 8.7065 8.7065 8.8015 8.8015 8.8210 8.8210 8.8254 8.8254 9.1424 9.1424 9.1499 9.1499 9.2535 9.2535 9.3794 9.3794 9.4579 9.4579 10.4638 10.4638 11.0149 11.0149 11.1260 11.1260 11.3597 11.3597 11.4922 11.4922 11.5164 11.5164 11.6541 11.6541 11.7988 11.7988 11.8523 11.8523 11.9824 11.9824 k = 0.2045 0.1181-0.0000 ( 13749 PWs) bands (ev): -1.4556 -1.4556 -0.3746 -0.3746 -0.2857 -0.2857 0.3595 0.3595 0.5435 0.5435 0.8679 0.8679 1.1119 1.1119 2.3198 2.3198 4.6708 4.6708 4.9996 4.9996 5.5257 5.5257 5.6995 5.6995 5.8039 5.8039 5.9651 5.9651 6.1597 6.1597 6.1958 6.1958 6.3831 6.3831 6.3955 6.3955 6.6777 6.6777 6.9504 6.9504 7.1644 7.1644 7.6104 7.6104 7.7035 7.7035 7.8077 7.8077 8.1025 8.1025 8.3498 8.3498 8.4484 8.4484 8.6568 8.6568 8.7159 8.7159 8.7729 8.7729 8.8026 8.8026 8.8121 8.8121 9.1522 9.1522 9.1575 9.1575 9.2343 9.2343 9.3737 9.3737 9.4765 9.4765 10.5210 10.5210 10.9655 10.9655 11.1029 11.1029 11.3132 11.3132 11.4627 11.4627 11.4931 11.4931 11.6020 11.6020 11.8132 11.8132 11.8375 11.8375 11.9774 11.9774 k = 0.2273 0.1312-0.0000 ( 13755 PWs) bands (ev): -1.4295 -1.4295 -0.4057 -0.4057 -0.2933 -0.2933 0.3379 0.3379 0.5502 0.5502 0.8704 0.8704 1.1248 1.1248 2.3195 2.3195 4.6821 4.6821 5.0095 5.0095 5.5316 5.5316 5.7118 5.7118 5.7815 5.7815 5.9730 5.9730 6.1927 6.1927 6.2099 6.2099 6.3550 6.3550 6.3853 6.3853 6.7001 6.7001 6.9475 6.9475 7.1692 7.1692 7.6215 7.6215 7.7273 7.7273 7.8400 7.8400 8.0334 8.0334 8.3296 8.3296 8.5014 8.5014 8.6134 8.6134 8.7369 8.7369 8.7461 8.7461 8.7842 8.7842 8.8003 8.8003 9.1608 9.1608 9.1633 9.1633 9.2176 9.2176 9.3673 9.3673 9.4954 9.4954 10.5762 10.5762 10.9117 10.9117 11.0816 11.0816 11.2687 11.2687 11.4304 11.4304 11.4754 11.4754 11.5479 11.5479 11.8195 11.8195 11.8362 11.8362 11.9716 11.9716 k = 0.2500 0.1443-0.0000 ( 13751 PWs) bands (ev): -1.4010 -1.4010 -0.4398 -0.4398 -0.3009 -0.3009 0.3172 0.3172 0.5567 0.5567 0.8733 0.8733 1.1369 1.1369 2.3192 2.3192 4.6954 4.6954 5.0203 5.0203 5.5346 5.5346 5.7195 5.7195 5.7616 5.7616 5.9801 5.9801 6.1984 6.1984 6.2380 6.2380 6.3325 6.3325 6.3942 6.3942 6.7192 6.7192 6.9498 6.9498 7.1743 7.1743 7.6324 7.6324 7.7502 7.7502 7.8645 7.8645 7.9665 7.9665 8.3108 8.3108 8.5545 8.5545 8.5709 8.5709 8.7106 8.7106 8.7479 8.7479 8.7800 8.7800 8.7934 8.7934 9.1636 9.1636 9.1704 9.1704 9.2057 9.2057 9.3599 9.3599 9.5142 9.5142 10.6237 10.6237 10.8607 10.8607 11.0615 11.0615 11.2267 11.2267 11.3993 11.3993 11.4578 11.4578 11.4940 11.4940 11.8086 11.8086 11.8588 11.8588 11.9656 11.9656 k = 0.2727 0.1575-0.0000 ( 13737 PWs) bands (ev): -1.3701 -1.3701 -0.4767 -0.4767 -0.3084 -0.3084 0.2980 0.2980 0.5629 0.5629 0.8763 0.8763 1.1483 1.1483 2.3188 2.3188 4.7106 4.7106 5.0320 5.0320 5.5344 5.5344 5.7090 5.7090 5.7592 5.7592 5.9848 5.9848 6.1745 6.1745 6.2748 6.2748 6.3366 6.3366 6.4088 6.4088 6.7347 6.7347 6.9583 6.9583 7.1791 7.1791 7.6430 7.6430 7.7653 7.7653 7.8632 7.8632 7.9258 7.9258 8.2944 8.2944 8.5293 8.5293 8.6038 8.6038 8.6836 8.6836 8.7274 8.7274 8.7774 8.7774 8.8126 8.8126 9.1591 9.1591 9.1783 9.1783 9.2011 9.2011 9.3513 9.3513 9.5327 9.5327 10.6480 10.6480 10.8288 10.8288 11.0424 11.0424 11.1877 11.1877 11.3712 11.3712 11.4261 11.4261 11.4537 11.4537 11.7993 11.7993 11.8868 11.8868 11.9596 11.9596 k = 0.2955 0.1706-0.0000 ( 13746 PWs) bands (ev): -1.3370 -1.3370 -0.5162 -0.5162 -0.3156 -0.3156 0.2803 0.2803 0.5686 0.5686 0.8795 0.8795 1.1587 1.1587 2.3185 2.3185 4.7274 4.7274 5.0444 5.0444 5.5310 5.5310 5.6840 5.6840 5.7708 5.7708 5.9850 5.9850 6.1398 6.1398 6.3111 6.3111 6.3603 6.3603 6.4268 6.4268 6.7485 6.7485 6.9723 6.9723 7.1827 7.1827 7.6524 7.6524 7.7484 7.7484 7.8397 7.8397 7.9328 7.9328 8.2811 8.2811 8.4901 8.4901 8.6190 8.6190 8.6878 8.6878 8.7020 8.7020 8.7718 8.7718 8.8417 8.8417 9.1503 9.1503 9.1855 9.1855 9.2024 9.2024 9.3414 9.3414 9.5506 9.5506 10.6299 10.6299 10.8358 10.8358 11.0240 11.0240 11.1525 11.1525 11.3465 11.3465 11.3733 11.3733 11.4347 11.4347 11.7937 11.7937 11.9188 11.9188 11.9539 11.9539 k = 0.3182 0.1837-0.0000 ( 13746 PWs) bands (ev): -1.3018 -1.3018 -0.5579 -0.5579 -0.3224 -0.3224 0.2644 0.2644 0.5738 0.5738 0.8828 0.8828 1.1681 1.1681 2.3182 2.3182 4.7457 4.7457 5.0574 5.0574 5.5251 5.5251 5.6558 5.6558 5.7849 5.7849 5.9779 5.9779 6.1078 6.1078 6.3443 6.3443 6.3950 6.3950 6.4462 6.4462 6.7641 6.7641 6.9891 6.9891 7.1844 7.1844 7.6523 7.6523 7.6982 7.6982 7.8397 7.8397 7.9524 7.9524 8.2706 8.2706 8.4533 8.4533 8.5922 8.5922 8.6749 8.6749 8.7313 8.7313 8.7690 8.7690 8.8723 8.8723 9.1406 9.1406 9.1923 9.1923 9.2063 9.2063 9.3297 9.3297 9.5679 9.5679 10.5825 10.5825 10.8692 10.8692 11.0063 11.0063 11.1215 11.1215 11.3183 11.3183 11.3259 11.3259 11.4185 11.4185 11.7927 11.7927 11.9479 11.9479 11.9547 11.9547 k = 0.3409 0.1968-0.0000 ( 13734 PWs) bands (ev): -1.2647 -1.2647 -0.6014 -0.6014 -0.3286 -0.3286 0.2504 0.2504 0.5784 0.5784 0.8861 0.8861 1.1764 1.1764 2.3179 2.3179 4.7650 4.7650 5.0708 5.0708 5.5175 5.5175 5.6274 5.6274 5.7972 5.7972 5.9623 5.9623 6.0859 6.0859 6.3717 6.3717 6.4355 6.4355 6.4683 6.4683 6.7845 6.7845 7.0056 7.0056 7.1836 7.1836 7.6000 7.6000 7.6872 7.6872 7.8423 7.8423 7.9780 7.9780 8.2623 8.2623 8.4194 8.4194 8.5570 8.5570 8.6480 8.6480 8.7665 8.7665 8.7816 8.7816 8.9036 8.9036 9.1317 9.1317 9.1987 9.1987 9.2111 9.2111 9.3160 9.3160 9.5843 9.5843 10.5263 10.5263 10.9081 10.9081 10.9893 10.9893 11.0956 11.0956 11.2651 11.2651 11.3095 11.3095 11.4027 11.4027 11.7972 11.7972 11.9438 11.9438 11.9916 11.9916 k = 0.3636 0.2099-0.0000 ( 13728 PWs) bands (ev): -1.2260 -1.2260 -0.6463 -0.6463 -0.3342 -0.3342 0.2382 0.2382 0.5824 0.5824 0.8892 0.8892 1.1836 1.1836 2.3177 2.3177 4.7847 4.7847 5.0842 5.0842 5.5091 5.5091 5.5999 5.5999 5.8037 5.8037 5.9432 5.9432 6.0745 6.0745 6.3886 6.3886 6.4782 6.4782 6.4976 6.4976 6.8111 6.8111 7.0190 7.0190 7.1800 7.1800 7.5259 7.5259 7.6963 7.6963 7.8396 7.8396 8.0092 8.0092 8.2552 8.2552 8.3887 8.3887 8.5195 8.5195 8.6219 8.6219 8.7707 8.7707 8.8253 8.8253 8.9352 8.9352 9.1241 9.1241 9.2050 9.2050 9.2160 9.2160 9.3001 9.3001 9.5996 9.5996 10.4703 10.4703 10.9431 10.9431 10.9734 10.9734 11.0761 11.0761 11.2150 11.2150 11.2974 11.2974 11.3870 11.3870 11.8073 11.8073 11.9400 11.9400 12.0296 12.0296 k = 0.3864 0.2231-0.0000 ( 13726 PWs) bands (ev): -1.1858 -1.1858 -0.6921 -0.6921 -0.3391 -0.3391 0.2279 0.2279 0.5858 0.5858 0.8920 0.8920 1.1898 1.1898 2.3174 2.3174 4.8040 4.8040 5.0973 5.0973 5.5009 5.5009 5.5741 5.5741 5.7999 5.7999 5.9300 5.9300 6.0698 6.0698 6.3937 6.3937 6.5207 6.5207 6.5362 6.5362 6.8428 6.8428 7.0269 7.0269 7.1739 7.1739 7.4511 7.4511 7.7078 7.7078 7.8325 7.8325 8.0444 8.0444 8.2489 8.2489 8.3615 8.3615 8.4807 8.4807 8.5976 8.5976 8.7761 8.7761 8.8652 8.8652 8.9670 8.9670 9.1178 9.1178 9.2114 9.2114 9.2205 9.2205 9.2818 9.2818 9.6138 9.6138 10.4182 10.4182 10.9571 10.9571 10.9705 10.9705 11.0649 11.0649 11.1696 11.1696 11.2894 11.2894 11.3715 11.3715 11.8229 11.8229 11.9370 11.9370 12.0376 12.0386 k = 0.4091 0.2362-0.0000 ( 13714 PWs) bands (ev): -1.1447 -1.1447 -0.7381 -0.7381 -0.3432 -0.3432 0.2196 0.2196 0.5885 0.5885 0.8945 0.8945 1.1948 1.1948 2.3172 2.3172 4.8221 4.8221 5.1094 5.1094 5.4937 5.4937 5.5507 5.5507 5.7853 5.7853 5.9273 5.9273 6.0682 6.0682 6.3907 6.3907 6.5628 6.5628 6.5790 6.5790 6.8771 6.8771 7.0282 7.0282 7.1656 7.1656 7.3798 7.3798 7.7201 7.7201 7.8228 7.8228 8.0821 8.0821 8.2433 8.2433 8.3379 8.3379 8.4413 8.4413 8.5763 8.5763 8.7825 8.7825 8.8989 8.8989 8.9988 8.9988 9.1128 9.1128 9.2178 9.2178 9.2237 9.2237 9.2617 9.2617 9.6264 9.6264 10.3725 10.3725 10.9445 10.9445 10.9831 10.9831 11.0643 11.0643 11.1301 11.1301 11.2854 11.2854 11.3564 11.3564 11.8426 11.8426 11.9350 11.9350 12.0247 12.0247 k = 0.4318 0.2493-0.0000 ( 13722 PWs) bands (ev): -1.1035 -1.1035 -0.7833 -0.7833 -0.3464 -0.3464 0.2131 0.2131 0.5906 0.5906 0.8966 0.8966 1.1987 1.1987 2.3171 2.3171 4.8378 4.8378 5.1201 5.1201 5.4885 5.4885 5.5304 5.5304 5.7659 5.7659 5.9315 5.9315 6.0681 6.0681 6.3840 6.3840 6.6025 6.6025 6.6212 6.6212 6.9112 6.9112 7.0234 7.0234 7.1559 7.1559 7.3153 7.3153 7.7328 7.7328 7.8118 7.8118 8.1209 8.1209 8.2388 8.2388 8.3185 8.3185 8.4018 8.4018 8.5587 8.5587 8.7890 8.7890 8.9255 8.9255 9.0300 9.0300 9.1090 9.1090 9.2230 9.2230 9.2239 9.2239 9.2427 9.2427 9.6369 9.6369 10.3349 10.3349 10.9337 10.9337 10.9855 10.9855 11.0716 11.0716 11.0978 11.0978 11.2851 11.2851 11.3421 11.3421 11.8641 11.8641 11.9344 11.9344 12.0140 12.0140 k = 0.4545 0.2624-0.0000 ( 13728 PWs) bands (ev): -1.0639 -1.0639 -0.8258 -0.8258 -0.3488 -0.3488 0.2085 0.2085 0.5921 0.5921 0.8981 0.8981 1.2014 1.2014 2.3170 2.3170 4.8501 4.8501 5.1284 5.1284 5.4857 5.4857 5.5137 5.5137 5.7482 5.7482 5.9376 5.9376 6.0686 6.0686 6.3769 6.3769 6.6358 6.6358 6.6587 6.6587 6.9412 6.9412 7.0148 7.0148 7.1457 7.1457 7.2621 7.2621 7.7456 7.7456 7.8002 7.8002 8.1588 8.1588 8.2357 8.2357 8.3036 8.3036 8.3638 8.3638 8.5456 8.5456 8.7946 8.7946 8.9446 8.9446 9.0597 9.0597 9.1064 9.1064 9.2085 9.2085 9.2292 9.2292 9.2358 9.2358 9.6450 9.6450 10.3069 10.3069 10.9255 10.9255 10.9835 10.9835 11.0734 11.0734 11.0806 11.0806 11.2879 11.2879 11.3290 11.3290 11.8833 11.8833 11.9355 11.9355 12.0061 12.0061 k = 0.4773 0.2756-0.0000 ( 13730 PWs) bands (ev): -1.0306 -1.0306 -0.8609 -0.8609 -0.3502 -0.3502 0.2057 0.2057 0.5930 0.5930 0.8991 0.8991 1.2031 1.2031 2.3169 2.3169 4.8579 4.8579 5.1338 5.1338 5.4859 5.4859 5.5013 5.5013 5.7362 5.7362 5.9422 5.9422 6.0691 6.0691 6.3717 6.3717 6.6583 6.6583 6.6857 6.6857 6.9629 6.9629 7.0065 7.0065 7.1372 7.1372 7.2260 7.2260 7.7579 7.7579 7.7888 7.7888 8.1915 8.1915 8.2341 8.2341 8.2941 8.2941 8.3310 8.3310 8.5375 8.5375 8.7982 8.7982 8.9560 8.9560 9.0847 9.0847 9.1048 9.1048 9.1886 9.1886 9.2330 9.2330 9.2355 9.2355 9.6501 9.6501 10.2895 10.2895 10.9204 10.9204 10.9814 10.9814 11.0587 11.0587 11.0866 11.0866 11.2929 11.2929 11.3179 11.3179 11.8959 11.8959 11.9382 11.9382 12.0013 12.0013 k = 0.5000 0.2887-0.0000 ( 13732 PWs) bands (ev): -1.0157 -1.0157 -0.8764 -0.8764 -0.3506 -0.3506 0.2048 0.2048 0.5933 0.5933 0.8994 0.8994 1.2037 1.2037 2.3169 2.3169 4.8606 4.8606 5.1357 5.1357 5.4875 5.4875 5.4955 5.4955 5.7320 5.7320 5.9439 5.9439 6.0693 6.0693 6.3698 6.3698 6.6664 6.6664 6.6957 6.6957 6.9711 6.9711 7.0030 7.0030 7.1337 7.1337 7.2130 7.2130 7.7652 7.7652 7.7817 7.7817 8.2068 8.2068 8.2336 8.2336 8.2909 8.2909 8.3157 8.3157 8.5348 8.5348 8.7995 8.7995 8.9598 8.9598 9.0960 9.0960 9.1043 9.1043 9.1786 9.1786 9.2348 9.2348 9.2352 9.2352 9.6519 9.6519 10.2837 10.2837 10.9187 10.9187 10.9805 10.9805 11.0537 11.0537 11.0887 11.0887 11.2965 11.2965 11.3122 11.3122 11.9000 11.9000 11.9400 11.9400 11.9997 11.9997 k = 0.5000 0.2887-0.0000 ( 13732 PWs) bands (ev): -1.0157 -1.0157 -0.8764 -0.8764 -0.3506 -0.3506 0.2048 0.2048 0.5933 0.5933 0.8994 0.8994 1.2037 1.2037 2.3169 2.3169 4.8606 4.8606 5.1357 5.1357 5.4875 5.4875 5.4955 5.4955 5.7320 5.7320 5.9439 5.9439 6.0693 6.0693 6.3698 6.3698 6.6664 6.6664 6.6957 6.6957 6.9711 6.9711 7.0030 7.0030 7.1337 7.1337 7.2130 7.2130 7.7652 7.7652 7.7817 7.7817 8.2068 8.2068 8.2336 8.2336 8.2909 8.2909 8.3157 8.3157 8.5348 8.5348 8.7995 8.7995 8.9598 8.9598 9.0960 9.0960 9.1043 9.1043 9.1786 9.1786 9.2348 9.2348 9.2352 9.2352 9.6519 9.6519 10.2837 10.2837 10.9187 10.9187 10.9805 10.9805 11.0537 11.0537 11.0887 11.0887 11.2965 11.2965 11.3122 11.3122 11.9000 11.9000 11.9400 11.9400 11.9997 11.9997 k = 0.4872 0.3109-0.0000 ( 13742 PWs) bands (ev): -1.0147 -1.0147 -0.8756 -0.8756 -0.3535 -0.3535 0.2035 0.2035 0.5957 0.5957 0.8987 0.8987 1.2039 1.2039 2.3168 2.3168 4.8627 4.8627 5.1366 5.1366 5.4841 5.4841 5.4988 5.4988 5.7282 5.7282 5.9444 5.9444 6.0683 6.0683 6.3613 6.3613 6.6711 6.6711 6.7051 6.7051 6.9479 6.9479 7.0252 7.0252 7.1359 7.1359 7.2131 7.2131 7.7661 7.7661 7.7796 7.7796 8.2078 8.2078 8.2341 8.2341 8.2681 8.2681 8.3392 8.3392 8.5326 8.5326 8.7917 8.7917 8.9595 8.9595 9.0879 9.0879 9.1097 9.1097 9.1832 9.1832 9.1868 9.1868 9.2848 9.2848 9.6583 9.6583 10.2883 10.2883 10.9123 10.9123 10.9642 10.9642 11.0061 11.0061 11.1484 11.1484 11.3012 11.3012 11.3131 11.3131 11.8999 11.8999 11.9393 11.9393 11.9909 11.9909 k = 0.4744 0.3331-0.0000 ( 13734 PWs) bands (ev): -1.0114 -1.0114 -0.8730 -0.8730 -0.3619 -0.3619 0.1999 0.1999 0.6029 0.6029 0.8964 0.8964 1.2046 1.2046 2.3168 2.3168 4.8690 4.8690 5.1394 5.1394 5.4773 5.4773 5.5052 5.5052 5.7164 5.7164 5.9459 5.9459 6.0657 6.0657 6.3385 6.3385 6.6850 6.6850 6.7296 6.7296 6.9135 6.9135 7.0563 7.0563 7.1429 7.1429 7.2135 7.2135 7.7682 7.7682 7.7736 7.7736 8.2106 8.2106 8.2313 8.2313 8.2415 8.2415 8.3721 8.3721 8.5262 8.5262 8.7697 8.7697 8.9584 8.9584 9.0735 9.0735 9.1168 9.1168 9.1399 9.1399 9.1959 9.1959 9.3363 9.3363 9.6771 9.6771 10.3018 10.3018 10.8919 10.8919 10.9033 10.9033 10.9816 10.9816 11.2226 11.2226 11.3113 11.3113 11.3194 11.3194 11.8996 11.8996 11.9370 11.9370 11.9642 11.9642 k = 0.4615 0.3553-0.0000 ( 13716 PWs) bands (ev): -1.0061 -1.0061 -0.8688 -0.8688 -0.3758 -0.3758 0.1945 0.1945 0.6141 0.6141 0.8927 0.8927 1.2058 1.2058 2.3168 2.3168 4.8796 4.8796 5.1440 5.1440 5.4682 5.4682 5.5135 5.5135 5.6964 5.6964 5.9494 5.9494 6.0625 6.0625 6.3072 6.3072 6.7060 6.7060 6.7629 6.7629 6.8790 6.8790 7.0852 7.0852 7.1555 7.1555 7.2144 7.2144 7.7618 7.7618 7.7740 7.7740 8.2029 8.2029 8.2157 8.2157 8.2414 8.2414 8.4060 8.4060 8.5155 8.5155 8.7375 8.7375 8.9567 8.9567 9.0552 9.0552 9.0938 9.0938 9.1255 9.1255 9.2127 9.2127 9.3895 9.3895 9.7065 9.7065 10.3238 10.3238 10.8248 10.8248 10.8652 10.8652 10.9639 10.9639 11.2893 11.2893 11.3197 11.3197 11.3426 11.3426 11.8988 11.8988 11.9155 11.9155 11.9376 11.9376 k = 0.4487 0.3775-0.0000 ( 13702 PWs) bands (ev): -0.9986 -0.9986 -0.8631 -0.8631 -0.3947 -0.3947 0.1880 0.1880 0.6285 0.6285 0.8875 0.8875 1.2073 1.2073 2.3167 2.3167 4.8944 4.8944 5.1504 5.1504 5.4568 5.4568 5.5237 5.5237 5.6681 5.6681 5.9552 5.9552 6.0597 6.0597 6.2726 6.2726 6.7291 6.7291 6.8000 6.8000 6.8484 6.8484 7.1095 7.1095 7.1743 7.1743 7.2170 7.2170 7.7473 7.7473 7.7802 7.7802 8.1721 8.1721 8.2222 8.2222 8.2456 8.2456 8.4398 8.4398 8.5006 8.5006 8.6992 8.6992 8.9543 8.9543 9.0316 9.0316 9.0533 9.0533 9.1343 9.1343 9.2306 9.2306 9.4447 9.4447 9.7446 9.7446 10.3534 10.3534 10.7477 10.7477 10.8265 10.8265 10.9444 10.9444 11.3082 11.3082 11.3554 11.3554 11.3901 11.3901 11.8532 11.8532 11.8981 11.8981 11.9349 11.9349 k = 0.4359 0.3997-0.0000 ( 13708 PWs) bands (ev): -0.9890 -0.9890 -0.8559 -0.8559 -0.4181 -0.4181 0.1809 0.1809 0.6453 0.6453 0.8810 0.8810 1.2091 1.2091 2.3167 2.3167 4.9134 4.9134 5.1587 5.1587 5.4430 5.4430 5.5352 5.5352 5.6326 5.6326 5.9633 5.9633 6.0576 6.0576 6.2388 6.2388 6.7417 6.7417 6.8290 6.8290 6.8404 6.8404 7.1279 7.1279 7.1966 7.1966 7.2244 7.2244 7.7290 7.7290 7.7885 7.7885 8.1415 8.1415 8.2302 8.2302 8.2507 8.2507 8.4717 8.4717 8.4830 8.4830 8.6585 8.6585 8.9514 8.9514 8.9959 8.9959 9.0253 9.0253 9.1447 9.1447 9.2472 9.2472 9.5021 9.5021 9.7894 9.7894 10.3888 10.3888 10.6707 10.6707 10.7810 10.7810 10.9237 10.9237 11.3091 11.3091 11.3888 11.3888 11.4585 11.4585 11.7790 11.7790 11.8960 11.8960 11.9348 11.9348 k = 0.4231 0.4219-0.0000 ( 13708 PWs) bands (ev): -0.9774 -0.9774 -0.8477 -0.8477 -0.4453 -0.4453 0.1738 0.1738 0.6637 0.6637 0.8731 0.8731 1.2111 1.2111 2.3166 2.3166 4.9367 4.9367 5.1687 5.1687 5.4269 5.4269 5.5462 5.5462 5.5928 5.5928 5.9726 5.9726 6.0557 6.0557 6.2093 6.2093 6.7285 6.7285 6.8417 6.8417 6.8749 6.8749 7.1405 7.1405 7.2146 7.2146 7.2439 7.2439 7.7074 7.7074 7.7988 7.7988 8.1116 8.1116 8.2391 8.2391 8.2566 8.2566 8.4577 8.4577 8.5062 8.5062 8.6192 8.6192 8.9460 8.9460 8.9562 8.9562 9.0054 9.0054 9.1563 9.1563 9.2611 9.2611 9.5617 9.5617 9.8394 9.8394 10.4262 10.4262 10.5961 10.5961 10.7310 10.7310 10.9027 10.9027 11.3078 11.3078 11.4211 11.4211 11.5279 11.5279 11.6986 11.6986 11.8930 11.8930 11.9380 11.9380 k = 0.4103 0.4441-0.0000 ( 13712 PWs) bands (ev): -0.9638 -0.9638 -0.8387 -0.8387 -0.4755 -0.4755 0.1673 0.1673 0.6828 0.6828 0.8640 0.8640 1.2131 1.2131 2.3165 2.3165 4.9642 4.9642 5.1804 5.1804 5.4087 5.4087 5.5355 5.5355 5.5710 5.5710 5.9813 5.9813 6.0532 6.0532 6.1874 6.1874 6.7001 6.7001 6.8693 6.8693 6.9080 6.9080 7.1466 7.1466 7.2294 7.2294 7.2735 7.2735 7.6833 7.6833 7.8111 7.8111 8.0825 8.0825 8.2473 8.2473 8.2639 8.2639 8.4318 8.4318 8.5331 8.5331 8.5870 8.5870 8.9104 8.9104 8.9462 8.9462 8.9887 8.9887 9.1690 9.1690 9.2716 9.2716 9.6235 9.6235 9.8933 9.8933 10.4503 10.4503 10.5353 10.5353 10.6807 10.6807 10.8822 10.8822 11.3053 11.3053 11.4525 11.4525 11.5928 11.5928 11.6170 11.6170 11.8894 11.8894 11.9461 11.9461 k = 0.3974 0.4663-0.0000 ( 13720 PWs) bands (ev): -0.9483 -0.9483 -0.8296 -0.8296 -0.5076 -0.5076 0.1614 0.1614 0.7022 0.7022 0.8538 0.8538 1.2152 1.2152 2.3165 2.3165 4.9958 4.9958 5.1937 5.1937 5.3885 5.3885 5.4905 5.4905 5.5805 5.5805 5.9873 5.9873 6.0496 6.0496 6.1757 6.1757 6.6684 6.6684 6.9005 6.9005 6.9376 6.9376 7.1466 7.1466 7.2464 7.2464 7.3053 7.3053 7.6576 7.6576 7.8253 7.8253 8.0543 8.0543 8.2530 8.2530 8.2736 8.2736 8.4038 8.4038 8.5333 8.5333 8.5853 8.5853 8.8691 8.8691 8.9427 8.9427 8.9749 8.9749 9.1825 9.1825 9.2784 9.2784 9.6877 9.6877 9.9501 9.9501 10.4129 10.4129 10.5234 10.5234 10.6427 10.6427 10.8631 10.8631 11.3020 11.3020 11.4779 11.4779 11.5409 11.5409 11.6508 11.6508 11.8857 11.8857 11.9618 11.9618 k = 0.3846 0.4885-0.0000 ( 13712 PWs) bands (ev): -0.9309 -0.9309 -0.8214 -0.8214 -0.5400 -0.5400 0.1565 0.1565 0.7213 0.7213 0.8425 0.8425 1.2170 1.2170 2.3164 2.3164 5.0314 5.0314 5.2087 5.2087 5.3658 5.3658 5.4414 5.4414 5.5924 5.5924 5.9890 5.9890 6.0457 6.0457 6.1744 6.1744 6.6379 6.6379 6.9313 6.9313 6.9632 6.9632 7.1417 7.1417 7.2650 7.2650 7.3356 7.3356 7.6318 7.6318 7.8415 7.8415 8.0269 8.0269 8.2564 8.2564 8.2848 8.2848 8.3753 8.3753 8.5120 8.5120 8.6098 8.6098 8.8293 8.8293 8.9398 8.9398 8.9639 8.9639 9.1964 9.1964 9.2815 9.2815 9.7540 9.7540 10.0089 10.0089 10.3423 10.3423 10.5027 10.5027 10.6451 10.6451 10.8463 10.8463 11.2984 11.2984 11.4483 11.4483 11.5222 11.5222 11.6969 11.6969 11.8823 11.8823 11.9881 11.9882 k = 0.3718 0.5107-0.0000 ( 13710 PWs) bands (ev): -0.9117 -0.9117 -0.8160 -0.8160 -0.5704 -0.5704 0.1525 0.1525 0.7399 0.7399 0.8304 0.8304 1.2186 1.2186 2.3163 2.3163 5.0708 5.0708 5.2250 5.2250 5.3392 5.3392 5.3942 5.3942 5.6027 5.6027 5.9867 5.9867 6.0432 6.0432 6.1801 6.1801 6.6112 6.6112 6.9597 6.9597 6.9844 6.9844 7.1333 7.1333 7.2832 7.2832 7.3611 7.3611 7.6082 7.6082 7.8595 7.8595 8.0006 8.0006 8.2590 8.2590 8.2953 8.2953 8.3483 8.3483 8.4933 8.4933 8.6365 8.6365 8.7919 8.7919 8.9373 8.9373 8.9556 8.9556 9.2103 9.2103 9.2810 9.2810 9.8225 9.8225 10.0690 10.0690 10.2672 10.2672 10.4525 10.4525 10.6776 10.6776 10.8331 10.8331 11.2942 11.2942 11.3843 11.3843 11.5420 11.5420 11.7291 11.7291 11.8794 11.8794 12.0272 12.0273 k = 0.3590 0.5329-0.0000 ( 13706 PWs) bands (ev): -0.8908 -0.8908 -0.8160 -0.8160 -0.5957 -0.5957 0.1497 0.1497 0.7575 0.7575 0.8174 0.8174 1.2198 1.2198 2.3163 2.3163 5.1137 5.1137 5.2420 5.2420 5.3053 5.3053 5.3545 5.3545 5.6103 5.6103 5.9828 5.9828 6.0424 6.0424 6.1883 6.1883 6.5905 6.5905 6.9846 6.9846 7.0007 7.0007 7.1226 7.1226 7.2998 7.2998 7.3778 7.3778 7.5901 7.5901 7.8790 7.8790 7.9756 7.9756 8.2624 8.2624 8.3003 8.3003 8.3281 8.3281 8.4805 8.4805 8.6613 8.6613 8.7584 8.7584 8.9356 8.9356 8.9499 8.9499 9.2238 9.2238 9.2772 9.2772 9.8928 9.8928 10.1290 10.1290 10.1920 10.1920 10.3934 10.3934 10.7111 10.7111 10.8259 10.8259 11.2881 11.2881 11.3321 11.3321 11.5588 11.5588 11.7481 11.7481 11.8772 11.8772 12.0763 12.0764 k = 0.3462 0.5551-0.0000 ( 13704 PWs) bands (ev): -0.8684 -0.8684 -0.8247 -0.8247 -0.6122 -0.6122 0.1479 0.1479 0.7739 0.7739 0.8037 0.8037 1.2206 1.2206 2.3163 2.3163 5.1595 5.1595 5.2484 5.2484 5.2734 5.2734 5.3256 5.3256 5.6147 5.6147 5.9800 5.9800 6.0422 6.0422 6.1949 6.1949 6.5775 6.5775 7.0036 7.0036 7.0111 7.0111 7.1120 7.1120 7.3136 7.3136 7.3831 7.3831 7.5802 7.5802 7.8989 7.8989 7.9525 7.9525 8.2682 8.2682 8.2905 8.2905 8.3242 8.3242 8.4733 8.4733 8.6824 8.6824 8.7311 8.7311 8.9346 8.9346 8.9466 8.9466 9.2357 9.2357 9.2711 9.2711 9.9643 9.9643 10.1154 10.1154 10.1893 10.1893 10.3345 10.3345 10.7317 10.7317 10.8261 10.8261 11.2746 11.2746 11.3061 11.3061 11.5690 11.5690 11.7571 11.7571 11.8757 11.8757 12.0964 12.0966 k = 0.3333 0.5774-0.0000 ( 13698 PWs) bands (ev): -0.8461 -0.8461 -0.8424 -0.8424 -0.6176 -0.6176 0.1473 0.1473 0.7877 0.7877 0.7908 0.7908 1.2209 1.2209 2.3163 2.3163 5.2026 5.2026 5.2123 5.2123 5.2779 5.2779 5.3112 5.3112 5.6161 5.6161 5.9792 5.9792 6.0423 6.0423 6.1973 6.1973 6.5732 6.5732 7.0125 7.0125 7.0138 7.0138 7.1067 7.1067 7.3204 7.3204 7.3817 7.3817 7.5779 7.5779 7.9119 7.9119 7.9385 7.9385 8.2754 8.2754 8.2794 8.2794 8.3254 8.3254 8.4711 8.4711 8.6932 8.6932 8.7179 8.7179 8.9343 8.9343 8.9456 8.9456 9.2419 9.2419 9.2669 9.2669 10.0243 10.0243 10.0545 10.0545 10.2261 10.2261 10.2970 10.2970 10.7372 10.7372 10.8285 10.8285 11.2653 11.2653 11.3013 11.3013 11.5724 11.5724 11.7595 11.7595 11.8752 11.8752 12.1028 12.1032 k = 0.3333 0.5774-0.0000 ( 13698 PWs) bands (ev): -0.8461 -0.8461 -0.8424 -0.8424 -0.6176 -0.6176 0.1473 0.1473 0.7877 0.7877 0.7908 0.7908 1.2209 1.2209 2.3163 2.3163 5.2026 5.2026 5.2123 5.2123 5.2779 5.2779 5.3112 5.3112 5.6161 5.6161 5.9792 5.9792 6.0423 6.0423 6.1973 6.1973 6.5732 6.5732 7.0125 7.0125 7.0138 7.0138 7.1067 7.1067 7.3204 7.3204 7.3817 7.3817 7.5779 7.5779 7.9119 7.9119 7.9385 7.9385 8.2754 8.2754 8.2794 8.2794 8.3254 8.3254 8.4711 8.4711 8.6932 8.6932 8.7179 8.7179 8.9343 8.9343 8.9456 8.9456 9.2419 9.2419 9.2669 9.2669 10.0243 10.0243 10.0545 10.0545 10.2261 10.2261 10.2970 10.2970 10.7372 10.7372 10.8285 10.8285 11.2653 11.2653 11.3013 11.3013 11.5724 11.5724 11.7595 11.7595 11.8752 11.8752 12.1028 12.1053 k = 0.3205 0.5551-0.0000 ( 13700 PWs) bands (ev): -0.8734 -0.8734 -0.8189 -0.8189 -0.6129 -0.6129 0.1479 0.1479 0.7744 0.7744 0.8032 0.8032 1.2206 1.2206 2.3163 2.3163 5.1587 5.1587 5.2494 5.2494 5.2722 5.2722 5.3267 5.3267 5.6150 5.6150 5.9794 5.9794 6.0423 6.0423 6.1952 6.1952 6.5769 6.5769 7.0010 7.0010 7.0126 7.0126 7.1131 7.1131 7.3106 7.3106 7.3883 7.3883 7.5783 7.5783 7.8988 7.8988 7.9524 7.9524 8.2709 8.2709 8.2883 8.2883 8.3236 8.3236 8.4733 8.4733 8.6874 8.6874 8.7265 8.7265 8.9344 8.9344 8.9466 8.9466 9.2347 9.2347 9.2721 9.2721 9.9644 9.9644 10.1153 10.1153 10.1896 10.1896 10.3344 10.3344 10.7338 10.7338 10.8243 10.8243 11.2746 11.2746 11.3060 11.3060 11.5694 11.5694 11.7577 11.7577 11.8758 11.8758 12.0949 12.0959 k = 0.3077 0.5329-0.0000 ( 13718 PWs) bands (ev): -0.9091 -0.9091 -0.7923 -0.7923 -0.6008 -0.6008 0.1498 0.1498 0.7592 0.7592 0.8157 0.8157 1.2197 1.2197 2.3163 2.3163 5.1105 5.1105 5.2405 5.2405 5.3050 5.3050 5.3599 5.3599 5.6125 5.6125 5.9785 5.9785 6.0425 6.0425 6.1901 6.1901 6.5861 6.5861 6.9740 6.9740 7.0051 7.0051 7.1293 7.1293 7.2854 7.2854 7.4078 7.4078 7.5765 7.5765 7.8786 7.8786 7.9749 7.9749 8.2736 8.2736 8.2942 8.2942 8.3222 8.3222 8.4803 8.4803 8.6845 8.6845 8.7383 8.7383 8.9344 8.9344 8.9495 8.9495 9.2188 9.2188 9.2821 9.2821 9.8933 9.8933 10.1308 10.1308 10.1912 10.1912 10.3936 10.3936 10.7256 10.7256 10.8135 10.8135 11.2886 11.2886 11.3305 11.3305 11.5618 11.5618 11.7536 11.7536 11.8774 11.8774 12.0584 12.0584 k = 0.2949 0.5107-0.0000 ( 13712 PWs) bands (ev): -0.9488 -0.9488 -0.7645 -0.7645 -0.5838 -0.5838 0.1529 0.1529 0.7438 0.7438 0.8267 0.8267 1.2181 1.2181 2.3164 2.3164 5.0636 5.0636 5.2199 5.2199 5.3412 5.3412 5.4061 5.4061 5.6097 5.6097 5.9737 5.9737 6.0434 6.0434 6.1851 6.1851 6.5973 6.5973 6.9365 6.9365 6.9928 6.9928 7.1486 7.1486 7.2555 7.2555 7.4354 7.4354 7.5698 7.5698 7.8584 7.8584 7.9982 7.9982 8.2791 8.2791 8.2914 8.2914 8.3302 8.3302 8.4925 8.4925 8.6895 8.6895 8.7483 8.7483 8.9332 8.9332 8.9542 8.9542 9.1985 9.1985 9.2926 9.2926 9.8240 9.8240 10.0730 10.0730 10.2654 10.2654 10.4553 10.4553 10.7136 10.7136 10.8025 10.8025 11.2960 11.2960 11.3790 11.3790 11.5513 11.5513 11.7482 11.7482 11.8802 11.8802 11.9814 11.9815 k = 0.2821 0.4885-0.0000 ( 13710 PWs) bands (ev): -0.9906 -0.9906 -0.7358 -0.7358 -0.5636 -0.5636 0.1574 0.1574 0.7282 0.7282 0.8362 0.8362 1.2157 1.2157 2.3165 2.3165 5.0185 5.0185 5.1989 5.1989 5.3727 5.3727 5.4605 5.4605 5.6082 5.6082 5.9634 5.9634 6.0445 6.0445 6.1827 6.1827 6.6070 6.6070 6.8918 6.8918 6.9773 6.9773 7.1578 7.1578 7.2366 7.2366 7.4676 7.4676 7.5585 7.5585 7.8392 7.8392 8.0205 8.0205 8.2640 8.2640 8.3067 8.3067 8.3439 8.3439 8.5102 8.5102 8.7016 8.7016 8.7562 8.7562 8.9299 8.9299 8.9606 8.9606 9.1747 9.1747 9.3027 9.3027 9.7574 9.7574 10.0162 10.0162 10.3390 10.3390 10.5172 10.5172 10.6995 10.6995 10.7968 10.7968 11.3024 11.3024 11.4389 11.4389 11.5402 11.5402 11.7425 11.7425 11.8839 11.8839 11.9034 11.9034 k = 0.2692 0.4663-0.0000 ( 13710 PWs) bands (ev): -1.0334 -1.0334 -0.7063 -0.7063 -0.5415 -0.5415 0.1633 0.1633 0.7125 0.7125 0.8444 0.8444 1.2127 1.2127 2.3166 2.3166 4.9756 4.9756 5.1783 5.1783 5.4026 5.4026 5.5164 5.5164 5.6110 5.6110 5.9474 5.9474 6.0454 6.0454 6.1842 6.1842 6.6119 6.6119 6.8419 6.8419 6.9602 6.9602 7.1386 7.1386 7.2475 7.2475 7.5002 7.5002 7.5472 7.5472 7.8214 7.8214 8.0391 8.0391 8.2457 8.2457 8.3218 8.3218 8.3654 8.3654 8.5329 8.5329 8.7192 8.7192 8.7625 8.7625 8.9231 8.9231 8.9687 8.9687 9.1479 9.1479 9.3121 9.3121 9.6941 9.6941 9.9615 9.9615 10.4101 10.4101 10.5785 10.5785 10.6869 10.6869 10.7979 10.7979 11.3095 11.3095 11.4955 11.4955 11.5382 11.5382 11.7373 11.7373 11.8254 11.8254 11.8892 11.8892 k = 0.2564 0.4441-0.0000 ( 13720 PWs) bands (ev): -1.0762 -1.0762 -0.6761 -0.6761 -0.5182 -0.5182 0.1706 0.1706 0.6969 0.6969 0.8512 0.8512 1.2088 1.2088 2.3168 2.3168 4.9352 4.9352 5.1584 5.1584 5.4321 5.4321 5.5617 5.5617 5.6284 5.6284 5.9268 5.9268 6.0453 6.0453 6.1892 6.1892 6.6101 6.6101 6.7888 6.7888 6.9429 6.9429 7.1035 7.1035 7.2741 7.2741 7.5166 7.5166 7.5553 7.5553 7.8054 7.8054 8.0497 8.0497 8.2339 8.2339 8.3274 8.3274 8.3984 8.3984 8.5591 8.5591 8.7403 8.7403 8.7682 8.7682 8.9119 8.9119 8.9784 8.9784 9.1185 9.1185 9.3208 9.3208 9.6350 9.6350 9.9091 9.9091 10.4764 10.4764 10.6374 10.6374 10.6822 10.6822 10.8051 10.8051 11.3179 11.3179 11.5036 11.5036 11.5881 11.5881 11.7327 11.7327 11.7509 11.7509 11.8950 11.8950 k = 0.2436 0.4219-0.0000 ( 13724 PWs) bands (ev): -1.1187 -1.1187 -0.6455 -0.6455 -0.4942 -0.4942 0.1796 0.1796 0.6814 0.6814 0.8567 0.8567 1.2041 1.2041 2.3169 2.3169 4.8973 4.8973 5.1391 5.1391 5.4616 5.4616 5.5813 5.5813 5.6749 5.6749 5.9032 5.9032 6.0444 6.0444 6.1965 6.1965 6.6003 6.6003 6.7338 6.7338 6.9266 6.9266 7.0648 7.0648 7.2986 7.2986 7.5184 7.5184 7.5870 7.5870 7.7919 7.7919 8.0472 8.0472 8.2353 8.2353 8.3261 8.3261 8.4385 8.4385 8.5870 8.5870 8.7599 8.7599 8.7771 8.7771 8.8953 8.8953 8.9898 8.9898 9.0868 9.0868 9.3288 9.3288 9.5805 9.5805 9.8592 9.8592 10.5339 10.5339 10.6756 10.6756 10.7079 10.7079 10.8178 10.8178 11.3275 11.3275 11.4938 11.4938 11.6578 11.6578 11.6783 11.6783 11.7319 11.7319 11.9017 11.9017 k = 0.2308 0.3997-0.0000 ( 13744 PWs) bands (ev): -1.1603 -1.1603 -0.6145 -0.6145 -0.4702 -0.4702 0.1902 0.1902 0.6661 0.6661 0.8610 0.8610 1.1985 1.1985 2.3172 2.3172 4.8621 4.8621 5.1207 5.1207 5.4905 5.4905 5.5890 5.5890 5.7359 5.7359 5.8782 5.8782 6.0427 6.0427 6.2046 6.2046 6.5819 6.5819 6.6787 6.6787 6.9124 6.9124 7.0257 7.0257 7.3098 7.3098 7.5350 7.5350 7.6193 7.6193 7.7824 7.7824 8.0314 8.0314 8.2511 8.2511 8.3210 8.3210 8.4820 8.4820 8.6153 8.6153 8.7681 8.7681 8.7981 8.7981 8.8732 8.8732 9.0029 9.0029 9.0531 9.0531 9.3362 9.3362 9.5311 9.5311 9.8118 9.8118 10.5778 10.5778 10.6980 10.6980 10.7626 10.7626 10.8363 10.8363 11.3385 11.3385 11.4831 11.4831 11.6139 11.6139 11.7279 11.7279 11.7329 11.7329 11.9090 11.9090 k = 0.2179 0.3775-0.0000 ( 13740 PWs) bands (ev): -1.2008 -1.2008 -0.5835 -0.5835 -0.4464 -0.4464 0.2026 0.2026 0.6511 0.6511 0.8642 0.8642 1.1921 1.1921 2.3174 2.3174 4.8298 4.8298 5.1032 5.1032 5.5178 5.5178 5.5959 5.5959 5.8002 5.8002 5.8530 5.8530 6.0406 6.0406 6.2123 6.2123 6.5550 6.5550 6.6253 6.6253 6.9010 6.9010 6.9871 6.9871 7.3046 7.3046 7.5722 7.5722 7.6454 7.6454 7.7785 7.7785 8.0072 8.0072 8.2754 8.2754 8.3160 8.3160 8.5266 8.5266 8.6427 8.6427 8.7691 8.7691 8.8248 8.8248 8.8473 8.8473 9.0136 9.0136 9.0220 9.0220 9.3429 9.3429 9.4868 9.4868 9.7669 9.7669 10.6079 10.6079 10.7306 10.7306 10.8153 10.8153 10.8630 10.8630 11.3506 11.3506 11.4725 11.4725 11.5596 11.5596 11.7340 11.7340 11.7994 11.7994 11.9170 11.9170 k = 0.2051 0.3553-0.0000 ( 13744 PWs) bands (ev): -1.2399 -1.2399 -0.5525 -0.5525 -0.4232 -0.4232 0.2167 0.2167 0.6364 0.6364 0.8665 0.8665 1.1847 1.1847 2.3177 2.3177 4.8002 4.8002 5.0866 5.0866 5.5408 5.5408 5.6062 5.6062 5.8287 5.8287 5.8640 5.8640 6.0387 6.0387 6.2189 6.2189 6.5196 6.5196 6.5759 6.5759 6.8930 6.8930 6.9496 6.9496 7.2885 7.2885 7.6228 7.6228 7.6631 7.6631 7.7813 7.7813 7.9799 7.9799 8.2901 8.2901 8.3267 8.3267 8.5707 8.5707 8.6686 8.6686 8.7616 8.7616 8.8221 8.8221 8.8538 8.8538 8.9801 8.9801 9.0359 9.0359 9.3490 9.3490 9.4475 9.4475 9.7244 9.7244 10.6304 10.6304 10.7664 10.7664 10.8569 10.8569 10.9039 10.9039 11.3639 11.3639 11.4613 11.4613 11.5202 11.5202 11.7391 11.7391 11.8669 11.8669 11.9259 11.9259 k = 0.1923 0.3331-0.0000 ( 13752 PWs) bands (ev): -1.2775 -1.2775 -0.5219 -0.5219 -0.4009 -0.4009 0.2325 0.2325 0.6222 0.6222 0.8680 0.8680 1.1765 1.1765 2.3180 2.3180 4.7735 4.7735 5.0709 5.0709 5.5559 5.5559 5.6232 5.6232 5.8063 5.8063 5.9239 5.9239 6.0388 6.0388 6.2243 6.2243 6.4771 6.4771 6.5321 6.5321 6.8861 6.8861 6.9153 6.9153 7.2680 7.2680 7.6548 7.6548 7.6981 7.6981 7.7872 7.7872 7.9532 7.9532 8.2871 8.2871 8.3609 8.3609 8.6132 8.6132 8.6923 8.6923 8.7371 8.7371 8.8102 8.8102 8.8820 8.8820 8.9428 8.9428 9.0551 9.0551 9.3542 9.3542 9.4128 9.4128 9.6841 9.6841 10.6484 10.6484 10.7984 10.7984 10.8894 10.8894 10.9560 10.9560 11.3779 11.3779 11.4508 11.4508 11.4986 11.4986 11.7467 11.7467 11.9229 11.9230 11.9357 11.9360 k = 0.1795 0.3109-0.0000 ( 13742 PWs) bands (ev): -1.3132 -1.3132 -0.4918 -0.4918 -0.3798 -0.3798 0.2501 0.2501 0.6085 0.6085 0.8687 0.8687 1.1673 1.1673 2.3183 2.3183 4.7496 4.7496 5.0562 5.0562 5.5624 5.5624 5.6463 5.6463 5.7868 5.7868 5.9707 5.9707 6.0484 6.0484 6.2288 6.2288 6.4313 6.4313 6.4933 6.4933 6.8649 6.8649 6.8997 6.8997 7.2466 7.2466 7.6547 7.6547 7.7629 7.7629 7.7896 7.7896 7.9294 7.9294 8.2835 8.2835 8.4022 8.4022 8.6528 8.6528 8.6931 8.6931 8.7186 8.7186 8.8095 8.8095 8.9038 8.9038 8.9113 8.9113 9.0766 9.0766 9.3567 9.3567 9.3837 9.3837 9.6462 9.6462 10.6589 10.6589 10.8262 10.8262 10.9201 10.9201 11.0115 11.0115 11.3925 11.3925 11.4482 11.4482 11.4908 11.4908 11.7568 11.7568 11.9099 11.9099 11.9398 11.9398 k = 0.1667 0.2887-0.0000 ( 13725 PWs) bands (ev): -1.3470 -1.3470 -0.4624 -0.4624 -0.3600 -0.3600 0.2694 0.2694 0.5954 0.5954 0.8688 0.8688 1.1573 1.1573 2.3186 2.3186 4.7284 4.7284 5.0425 5.0425 5.5627 5.5627 5.6714 5.6714 5.7713 5.7713 5.9897 5.9897 6.0792 6.0792 6.2333 6.2333 6.3868 6.3868 6.4591 6.4591 6.8298 6.8298 6.9019 6.9019 7.2263 7.2263 7.6481 7.6481 7.7814 7.7814 7.8350 7.8350 7.9087 7.9087 8.2847 8.2847 8.4466 8.4466 8.6456 8.6456 8.6910 8.6910 8.7377 8.7377 8.8133 8.8133 8.8676 8.8676 8.9373 8.9373 9.1002 9.1002 9.3442 9.3442 9.3720 9.3720 9.6103 9.6103 10.6558 10.6558 10.8543 10.8543 10.9514 10.9514 11.0676 11.0676 11.4079 11.4079 11.4574 11.4574 11.4927 11.4927 11.7691 11.7691 11.8860 11.8860 11.9486 11.9486 k = 0.1538 0.2665-0.0000 ( 13723 PWs) bands (ev): -1.3788 -1.3788 -0.4339 -0.4339 -0.3417 -0.3417 0.2901 0.2901 0.5829 0.5829 0.8684 0.8684 1.1464 1.1464 2.3189 2.3189 4.7100 4.7100 5.0298 5.0298 5.5587 5.5587 5.6931 5.6931 5.7628 5.7628 5.9899 5.9899 6.1170 6.1170 6.2384 6.2384 6.3494 6.3494 6.4306 6.4306 6.7930 6.7930 6.9094 6.9094 7.2082 7.2082 7.6392 7.6392 7.7658 7.7658 7.8878 7.8878 7.9074 7.9074 8.2925 8.2925 8.4929 8.4929 8.5948 8.5948 8.7239 8.7239 8.7566 8.7566 8.8152 8.8152 8.8355 8.8355 8.9629 8.9629 9.1259 9.1259 9.3191 9.3191 9.3742 9.3742 9.5766 9.5766 10.6356 10.6356 10.8871 10.8871 10.9837 10.9837 11.1239 11.1239 11.4248 11.4248 11.4717 11.4717 11.5074 11.5074 11.7834 11.7834 11.8631 11.8631 11.9569 11.9569 k = 0.1410 0.2443-0.0000 ( 13717 PWs) bands (ev): -1.4084 -1.4084 -0.4067 -0.4067 -0.3250 -0.3250 0.3121 0.3121 0.5711 0.5711 0.8676 0.8676 1.1348 1.1348 2.3193 2.3193 4.6940 4.6940 5.0181 5.0181 5.5515 5.5515 5.7033 5.7033 5.7673 5.7673 5.9839 5.9839 6.1419 6.1419 6.2378 6.2378 6.3326 6.3326 6.4103 6.4103 6.7565 6.7565 6.9196 6.9196 7.1926 7.1926 7.6293 7.6293 7.7448 7.7448 7.8637 7.8637 7.9794 7.9794 8.3065 8.3065 8.5388 8.5388 8.5437 8.5437 8.7534 8.7534 8.7729 8.7729 8.7916 8.7916 8.8330 8.8330 8.9867 8.9867 9.1530 9.1530 9.2933 9.2933 9.3781 9.3781 9.5449 9.5449 10.6005 10.6005 10.9247 10.9247 11.0170 11.0170 11.1801 11.1801 11.4438 11.4438 11.4835 11.4835 11.5380 11.5380 11.7991 11.7991 11.8423 11.8423 11.9646 11.9646 k = 0.1282 0.2221-0.0000 ( 13733 PWs) bands (ev): -1.4357 -1.4357 -0.3808 -0.3808 -0.3100 -0.3100 0.3350 0.3350 0.5600 0.5600 0.8665 0.8665 1.1225 1.1225 2.3196 2.3196 4.6806 4.6806 5.0075 5.0075 5.5421 5.5421 5.7007 5.7007 5.7843 5.7843 5.9757 5.9757 6.1470 6.1470 6.2208 6.2208 6.3479 6.3479 6.4017 6.4017 6.7213 6.7213 6.9311 6.9311 7.1799 7.1799 7.6188 7.6188 7.7217 7.7217 7.8346 7.8346 8.0500 8.0500 8.3253 8.3253 8.4892 8.4892 8.5889 8.5889 8.7549 8.7549 8.7792 8.7792 8.7928 8.7928 8.8421 8.8421 9.0085 9.0085 9.1809 9.1809 9.2680 9.2680 9.3822 9.3822 9.5154 9.5154 10.5551 10.5551 10.9644 10.9644 11.0510 11.0510 11.2362 11.2362 11.4643 11.4643 11.4955 11.4955 11.5784 11.5784 11.8151 11.8151 11.8248 11.8248 11.9717 11.9717 k = 0.1154 0.1999-0.0000 ( 13727 PWs) bands (ev): -1.4606 -1.4606 -0.3566 -0.3566 -0.2966 -0.2966 0.3585 0.3585 0.5498 0.5498 0.8653 0.8653 1.1096 1.1096 2.3199 2.3199 4.6693 4.6693 4.9979 4.9979 5.5313 5.5313 5.6923 5.6923 5.8048 5.8048 5.9673 5.9673 6.1355 6.1355 6.1981 6.1981 6.3715 6.3715 6.4149 6.4149 6.6880 6.6880 6.9427 6.9427 7.1702 7.1702 7.6079 7.6079 7.6986 7.6986 7.8012 7.8012 8.1178 8.1178 8.3466 8.3466 8.4376 8.4376 8.6371 8.6371 8.7235 8.7235 8.8011 8.8011 8.8082 8.8082 8.8533 8.8533 9.0278 9.0278 9.2080 9.2080 9.2440 9.2440 9.3860 9.3860 9.4882 9.4882 10.5040 10.5040 11.0030 11.0030 11.0852 11.0852 11.2920 11.2920 11.4855 11.4855 11.5111 11.5111 11.6230 11.6230 11.8078 11.8078 11.8341 11.8341 11.9779 11.9779 k = 0.1026 0.1776-0.0000 ( 13727 PWs) bands (ev): -1.4832 -1.4832 -0.3342 -0.3342 -0.2849 -0.2849 0.3821 0.3821 0.5405 0.5405 0.8640 0.8640 1.0964 1.0964 2.3202 2.3202 4.6602 4.6602 4.9893 4.9893 5.5199 5.5199 5.6822 5.6822 5.8227 5.8227 5.9605 5.9605 6.1129 6.1129 6.1796 6.1796 6.3847 6.3847 6.4527 6.4527 6.6576 6.6576 6.9533 6.9533 7.1634 7.1634 7.5963 7.5963 7.6770 7.6770 7.7653 7.7653 8.1818 8.1818 8.3684 8.3684 8.3883 8.3883 8.6774 8.6774 8.7017 8.7017 8.8189 8.8189 8.8238 8.8238 8.8659 8.8659 9.0443 9.0443 9.2138 9.2138 9.2410 9.2410 9.3896 9.3896 9.4632 9.4632 10.4507 10.4507 11.0381 11.0381 11.1188 11.1188 11.3471 11.3471 11.5057 11.5057 11.5332 11.5332 11.6687 11.6687 11.7958 11.7958 11.8514 11.8514 11.9831 11.9831 k = 0.0897 0.1554-0.0000 ( 13733 PWs) bands (ev): -1.5032 -1.5032 -0.3139 -0.3139 -0.2748 -0.2748 0.4054 0.4054 0.5321 0.5321 0.8627 0.8627 1.0831 1.0831 2.3205 2.3205 4.6529 4.6529 4.9818 4.9818 5.5087 5.5087 5.6717 5.6717 5.8343 5.8343 5.9575 5.9575 6.0857 6.0857 6.1660 6.1660 6.3969 6.3969 6.4973 6.4973 6.6307 6.6307 6.9620 6.9620 7.1596 7.1596 7.5834 7.5834 7.6579 7.6579 7.7289 7.7289 8.2407 8.2407 8.3423 8.3423 8.3895 8.3895 8.6617 8.6617 8.7380 8.7380 8.8329 8.8329 8.8391 8.8391 8.8798 8.8798 9.0577 9.0577 9.1910 9.1910 9.2656 9.2656 9.3928 9.3928 9.4407 9.4407 10.3977 10.3977 11.0686 11.0686 11.1503 11.1503 11.4013 11.4013 11.5248 11.5248 11.5617 11.5617 11.7137 11.7137 11.7865 11.7865 11.8684 11.8684 11.9867 11.9867 k = 0.0769 0.1332-0.0000 ( 13751 PWs) bands (ev): -1.5207 -1.5207 -0.2958 -0.2958 -0.2662 -0.2662 0.4276 0.4276 0.5247 0.5247 0.8614 0.8614 1.0701 1.0701 2.3207 2.3207 4.6472 4.6472 4.9753 4.9753 5.4981 5.4981 5.6615 5.6615 5.8379 5.8379 5.9597 5.9597 6.0586 6.0586 6.1560 6.1560 6.4106 6.4106 6.5409 6.5409 6.6085 6.6085 6.9685 6.9685 7.1583 7.1583 7.5686 7.5686 7.6419 7.6419 7.6945 7.6945 8.2887 8.2887 8.3056 8.3056 8.4084 8.4084 8.6381 8.6381 8.7841 8.7841 8.8449 8.8449 8.8528 8.8528 8.8948 8.8948 9.0675 9.0675 9.1669 9.1669 9.2896 9.2896 9.3957 9.3957 9.4208 9.4208 10.3471 10.3471 11.0942 11.0942 11.1783 11.1783 11.4546 11.4546 11.5439 11.5439 11.5945 11.5945 11.7564 11.7564 11.7799 11.7799 11.8843 11.8843 11.9886 11.9886 k = 0.0641 0.1110-0.0000 ( 13753 PWs) bands (ev): -1.5355 -1.5355 -0.2802 -0.2802 -0.2590 -0.2590 0.4481 0.4481 0.5185 0.5185 0.8603 0.8603 1.0577 1.0577 2.3210 2.3210 4.6429 4.6429 4.9698 4.9698 5.4885 5.4885 5.6521 5.6521 5.8346 5.8346 5.9662 5.9662 6.0339 6.0339 6.1492 6.1492 6.4240 6.4240 6.5796 6.5796 6.5932 6.5932 6.9725 6.9725 7.1590 7.1590 7.5515 7.5515 7.6292 7.6292 7.6641 7.6641 8.2614 8.2614 8.3422 8.3422 8.4246 8.4246 8.6174 8.6174 8.8285 8.8285 8.8553 8.8553 8.8645 8.8645 8.9108 8.9108 9.0733 9.0733 9.1430 9.1430 9.3112 9.3112 9.3982 9.3982 9.4037 9.4037 10.3008 10.3008 11.1151 11.1151 11.2017 11.2017 11.5068 11.5068 11.5634 11.5634 11.6289 11.6289 11.7744 11.7744 11.7971 11.7971 11.8987 11.8987 11.9882 11.9882 k = 0.0513 0.0888-0.0000 ( 13755 PWs) bands (ev): -1.5477 -1.5477 -0.2671 -0.2671 -0.2533 -0.2533 0.4661 0.4661 0.5134 0.5134 0.8593 0.8593 1.0465 1.0465 2.3212 2.3212 4.6397 4.6397 4.9653 4.9653 5.4804 5.4804 5.6440 5.6440 5.8274 5.8274 5.9742 5.9742 6.0129 6.0129 6.1450 6.1450 6.4350 6.4350 6.5796 6.5796 6.6177 6.6177 6.9744 6.9744 7.1608 7.1608 7.5326 7.5326 7.6197 7.6197 7.6397 7.6397 8.2301 8.2301 8.3807 8.3807 8.4378 8.4378 8.6005 8.6005 8.8615 8.8615 8.8690 8.8690 8.8780 8.8780 8.9276 8.9276 9.0748 9.0748 9.1200 9.1200 9.3295 9.3295 9.3892 9.3892 9.4006 9.4006 10.2602 10.2602 11.1315 11.1315 11.2203 11.2203 11.5575 11.5575 11.5829 11.5829 11.6627 11.6627 11.7710 11.7710 11.8335 11.8335 11.9112 11.9112 11.9853 11.9853 k = 0.0385 0.0666-0.0000 ( 13749 PWs) bands (ev): -1.5572 -1.5572 -0.2568 -0.2568 -0.2489 -0.2489 0.4809 0.4809 0.5097 0.5097 0.8586 0.8586 1.0369 1.0369 2.3213 2.3213 4.6375 4.6375 4.9618 4.9618 5.4738 5.4738 5.6374 5.6374 5.8193 5.8193 5.9818 5.9818 5.9961 5.9961 6.1429 6.1429 6.4422 6.4422 6.5751 6.5751 6.6466 6.6466 6.9748 6.9748 7.1631 7.1631 7.5138 7.5138 7.6124 7.6124 7.6220 7.6220 8.2049 8.2049 8.4110 8.4110 8.4481 8.4481 8.5876 8.5876 8.8695 8.8695 8.8798 8.8798 8.9117 8.9117 8.9447 8.9447 9.0716 9.0716 9.0985 9.0985 9.3440 9.3440 9.3780 9.3780 9.4023 9.4023 10.2269 10.2269 11.1438 11.1438 11.2343 11.2343 11.5950 11.5950 11.6123 11.6123 11.6938 11.6938 11.7678 11.7678 11.8661 11.8661 11.9213 11.9213 11.9793 11.9793 k = 0.0256 0.0444-0.0000 ( 13745 PWs) bands (ev): -1.5641 -1.5641 -0.2494 -0.2494 -0.2458 -0.2458 0.4912 0.4912 0.5078 0.5078 0.8580 0.8580 1.0295 1.0295 2.3214 2.3214 4.6361 4.6361 4.9593 4.9593 5.4690 5.4690 5.6327 5.6327 5.8122 5.8122 5.9838 5.9838 5.9876 5.9876 6.1421 6.1421 6.4457 6.4457 6.5748 6.5748 6.6684 6.6684 6.9744 6.9744 7.1651 7.1651 7.4978 7.4978 7.6056 7.6056 7.6121 7.6121 8.1864 8.1864 8.4326 8.4326 8.4553 8.4553 8.5788 8.5788 8.8744 8.8744 8.8854 8.8854 8.9440 8.9440 8.9616 8.9616 9.0634 9.0634 9.0801 9.0801 9.3543 9.3543 9.3701 9.3701 9.4036 9.4036 10.2021 10.2021 11.1523 11.1523 11.2439 11.2439 11.6102 11.6102 11.6567 11.6567 11.7211 11.7211 11.7642 11.7642 11.8948 11.8948 11.9286 11.9286 11.9701 11.9714 k = 0.0128 0.0222-0.0000 ( 13731 PWs) bands (ev): -1.5682 -1.5682 -0.2450 -0.2450 -0.2439 -0.2439 0.4962 0.4962 0.5082 0.5082 0.8577 0.8577 1.0249 1.0249 2.3215 2.3215 4.6353 4.6353 4.9579 4.9579 5.4660 5.4660 5.6298 5.6298 5.8074 5.8074 5.9765 5.9765 5.9911 5.9911 6.1420 6.1420 6.4469 6.4469 6.5761 6.5761 6.6820 6.6820 6.9738 6.9738 7.1665 7.1665 7.4871 7.4871 7.5998 7.5998 7.6083 7.6083 8.1751 8.1751 8.4452 8.4452 8.4596 8.4596 8.5739 8.5739 8.8773 8.8773 8.8887 8.8887 8.9674 8.9674 8.9763 8.9763 9.0524 9.0524 9.0670 9.0670 9.3596 9.3596 9.3662 9.3662 9.4045 9.4045 10.1867 10.1867 11.1573 11.1573 11.2495 11.2495 11.6191 11.6191 11.6921 11.6921 11.7440 11.7440 11.7600 11.7600 11.9187 11.9188 11.9293 11.9293 11.9381 11.9381 k = 0.0000 0.0000 0.0000 ( 13747 PWs) bands (ev): -1.5695 -1.5695 -0.2437 -0.2437 -0.2431 -0.2431 0.4972 0.4972 0.5090 0.5090 0.8576 0.8576 1.0233 1.0233 2.3215 2.3215 4.6351 4.6351 4.9574 4.9574 5.4650 5.4650 5.6289 5.6289 5.8057 5.8057 5.9740 5.9740 5.9923 5.9923 6.1420 6.1420 6.4471 6.4471 6.5768 6.5768 6.6866 6.6866 6.9736 6.9736 7.1670 7.1670 7.4833 7.4833 7.5977 7.5977 7.6072 7.6072 8.1713 8.1713 8.4494 8.4494 8.4610 8.4610 8.5724 8.5724 8.8783 8.8783 8.8898 8.8898 8.9761 8.9761 8.9835 8.9835 9.0467 9.0467 9.0616 9.0616 9.3603 9.3603 9.3660 9.3660 9.4048 9.4048 10.1815 10.1815 11.1589 11.1589 11.2513 11.2513 11.6221 11.6221 11.7060 11.7060 11.7553 11.7553 11.7575 11.7575 11.9129 11.9129 11.9354 11.9354 11.9374 11.9374 k = 0.0000 0.0000 0.0000 ( 13747 PWs) bands (ev): -1.5695 -1.5695 -0.2437 -0.2437 -0.2431 -0.2431 0.4972 0.4972 0.5090 0.5090 0.8576 0.8576 1.0233 1.0233 2.3215 2.3215 4.6351 4.6351 4.9574 4.9574 5.4650 5.4650 5.6289 5.6289 5.8057 5.8057 5.9740 5.9740 5.9923 5.9923 6.1420 6.1420 6.4471 6.4471 6.5768 6.5768 6.6866 6.6866 6.9736 6.9736 7.1670 7.1670 7.4833 7.4833 7.5977 7.5977 7.6072 7.6072 8.1713 8.1713 8.4494 8.4494 8.4610 8.4610 8.5724 8.5724 8.8783 8.8783 8.8898 8.8898 8.9761 8.9761 8.9835 8.9835 9.0467 9.0467 9.0616 9.0616 9.3603 9.3603 9.3660 9.3660 9.4048 9.4048 10.1815 10.1815 11.1589 11.1589 11.2513 11.2513 11.6221 11.6221 11.7060 11.7060 11.7553 11.7553 11.7575 11.7575 11.9129 11.9129 11.9354 11.9354 11.9374 11.9374 k = 0.0000 0.0000 0.0260 ( 13729 PWs) bands (ev): -1.5680 -1.5680 -0.2427 -0.2427 -0.2421 -0.2421 0.4974 0.4974 0.5091 0.5091 0.8550 0.8550 1.0241 1.0241 2.3201 2.3201 4.6368 4.6368 4.9589 4.9589 5.4552 5.4552 5.6134 5.6134 5.8094 5.8094 5.9740 5.9740 6.0080 6.0080 6.1475 6.1475 6.4454 6.4454 6.5764 6.5764 6.6882 6.6882 6.9731 6.9731 7.1669 7.1669 7.4859 7.4859 7.5975 7.5975 7.6055 7.6055 8.1414 8.1414 8.4618 8.4618 8.4777 8.4777 8.5755 8.5755 8.8783 8.8783 8.8897 8.8897 8.9771 8.9771 8.9844 8.9844 9.0479 9.0479 9.0627 9.0627 9.3609 9.3609 9.3665 9.3665 9.4069 9.4069 10.1711 10.1711 11.1581 11.1581 11.2510 11.2510 11.6214 11.6214 11.7059 11.7059 11.7545 11.7545 11.7623 11.7623 11.9126 11.9126 11.9322 11.9328 11.9347 11.9347 k = 0.0000 0.0000 0.0519 ( 13777 PWs) bands (ev): -1.5635 -1.5635 -0.2399 -0.2399 -0.2393 -0.2393 0.4978 0.4978 0.5095 0.5095 0.8474 0.8474 1.0264 1.0264 2.3159 2.3159 4.6419 4.6419 4.9637 4.9637 5.4281 5.4281 5.5735 5.5735 5.8182 5.8182 5.9741 5.9741 6.0488 6.0488 6.1636 6.1636 6.4404 6.4404 6.5751 6.5751 6.6929 6.6929 6.9719 6.9719 7.1666 7.1666 7.4931 7.4931 7.5973 7.5973 7.6005 7.6005 8.0732 8.0732 8.4642 8.4642 8.5356 8.5356 8.5903 8.5903 8.8781 8.8781 8.8894 8.8894 8.9800 8.9800 8.9872 8.9872 9.0514 9.0514 9.0659 9.0659 9.3625 9.3625 9.3682 9.3682 9.4133 9.4133 10.1406 10.1406 11.1558 11.1558 11.2498 11.2498 11.6192 11.6192 11.7056 11.7056 11.7522 11.7522 11.7760 11.7760 11.9007 11.9012 11.9117 11.9117 11.9324 11.9324 k = 0.0000 0.0000 0.0779 ( 13783 PWs) bands (ev): -1.5560 -1.5560 -0.2351 -0.2351 -0.2346 -0.2346 0.4985 0.4985 0.5102 0.5102 0.8347 0.8347 1.0302 1.0302 2.3088 2.3088 4.6506 4.6506 4.9717 4.9717 5.3887 5.3887 5.5198 5.5198 5.8278 5.8278 5.9742 5.9742 6.1037 6.1037 6.1895 6.1895 6.4321 6.4321 6.5730 6.5730 6.7007 6.7007 6.9702 6.9702 7.1663 7.1663 7.5032 7.5032 7.5924 7.5924 7.5992 7.5992 7.9903 7.9903 8.4680 8.4680 8.5706 8.5706 8.6453 8.6453 8.8778 8.8778 8.8888 8.8888 8.9848 8.9848 8.9917 8.9917 9.0573 9.0573 9.0713 9.0713 9.3652 9.3652 9.3709 9.3709 9.4240 9.4240 10.0923 10.0923 11.1522 11.1522 11.2478 11.2478 11.6156 11.6156 11.7053 11.7053 11.7485 11.7485 11.7969 11.7969 11.8533 11.8534 11.9104 11.9104 11.9287 11.9287 k = 0.0000 0.0000 0.1038 ( 13765 PWs) bands (ev): -1.5455 -1.5455 -0.2286 -0.2286 -0.2280 -0.2280 0.4994 0.4994 0.5110 0.5110 0.8171 0.8171 1.0356 1.0356 2.2991 2.2991 4.6626 4.6626 4.9830 4.9830 5.3416 5.3416 5.4598 5.4598 5.8350 5.8350 5.9742 5.9742 6.1650 6.1650 6.2236 6.2236 6.4204 6.4204 6.5700 6.5700 6.7114 6.7114 6.9684 6.9684 7.1663 7.1663 7.5127 7.5127 7.5816 7.5816 7.6069 7.6069 7.9018 7.9018 8.4730 8.4730 8.5857 8.5857 8.7277 8.7277 8.8772 8.8772 8.8879 8.8879 8.9913 8.9913 8.9980 8.9980 9.0656 9.0656 9.0790 9.0790 9.3689 9.3689 9.3747 9.3747 9.4387 9.4387 10.0291 10.0291 11.1475 11.1475 11.2450 11.2450 11.6108 11.6108 11.7049 11.7049 11.7437 11.7437 11.7966 11.7966 11.8224 11.8224 11.9087 11.9087 11.9237 11.9238 k = 0.0000 0.0000 0.1298 ( 13741 PWs) bands (ev): -1.5320 -1.5320 -0.2201 -0.2201 -0.2197 -0.2197 0.5005 0.5005 0.5120 0.5120 0.7946 0.7946 1.0425 1.0425 2.2867 2.2867 4.6779 4.6779 4.9976 4.9976 5.2902 5.2902 5.3974 5.3974 5.8380 5.8380 5.9737 5.9737 6.2283 6.2283 6.2633 6.2633 6.4054 6.4054 6.5664 6.5664 6.7248 6.7248 6.9672 6.9672 7.1668 7.1668 7.5176 7.5176 7.5689 7.5689 7.6249 7.6249 7.8109 7.8109 8.4788 8.4788 8.5985 8.5985 8.8156 8.8156 8.8763 8.8763 8.8867 8.8867 8.9993 8.9993 9.0058 9.0058 9.0761 9.0761 9.0889 9.0889 9.3733 9.3733 9.3793 9.3793 9.4575 9.4575 9.9550 9.9550 11.1420 11.1420 11.2414 11.2414 11.6049 11.6049 11.7048 11.7048 11.7345 11.7345 11.7382 11.7382 11.8495 11.8495 11.9072 11.9072 11.9178 11.9178 k = 0.0000 0.0000 0.1557 ( 13729 PWs) bands (ev): -1.5156 -1.5156 -0.2099 -0.2099 -0.2095 -0.2095 0.5016 0.5016 0.5130 0.5130 0.7675 0.7675 1.0509 1.0509 2.2717 2.2717 4.6967 4.6967 5.0157 5.0157 5.2368 5.2368 5.3348 5.3348 5.8364 5.8364 5.9724 5.9724 6.2908 6.2908 6.3060 6.3060 6.3872 6.3872 6.5623 6.5623 6.7404 6.7404 6.9676 6.9676 7.1684 7.1684 7.5167 7.5167 7.5549 7.5549 7.6547 7.6547 7.7193 7.7193 8.4851 8.4851 8.6101 8.6101 8.8751 8.8751 8.8853 8.8853 8.9047 8.9047 9.0086 9.0086 9.0150 9.0150 9.0889 9.0889 9.1011 9.1011 9.3784 9.3784 9.3847 9.3847 9.4802 9.4802 9.8743 9.8743 11.1358 11.1358 11.2370 11.2370 11.5977 11.5977 11.6706 11.6706 11.7049 11.7049 11.7325 11.7325 11.8737 11.8737 11.9070 11.9070 11.9110 11.9111 k = 0.0000 0.0000 0.1817 ( 13765 PWs) bands (ev): -1.4962 -1.4962 -0.1979 -0.1979 -0.1975 -0.1975 0.5027 0.5027 0.5140 0.5140 0.7358 0.7358 1.0608 1.0608 2.2542 2.2542 4.7186 4.7186 5.0373 5.0373 5.1831 5.1831 5.2734 5.2734 5.8302 5.8302 5.9698 5.9698 6.3488 6.3488 6.3505 6.3505 6.3663 6.3663 6.5583 6.5583 6.7574 6.7574 6.9712 6.9712 7.1716 7.1716 7.5122 7.5122 7.5403 7.5403 7.6276 7.6276 7.6945 7.6945 8.4913 8.4913 8.6190 8.6190 8.8737 8.8737 8.8838 8.8838 8.9932 8.9932 9.0193 9.0193 9.0252 9.0252 9.1037 9.1037 9.1153 9.1153 9.3840 9.3840 9.3907 9.3907 9.5066 9.5066 9.7915 9.7915 11.1293 11.1293 11.2319 11.2319 11.5853 11.5853 11.6116 11.6116 11.7055 11.7055 11.7269 11.7269 11.8882 11.8882 11.9037 11.9039 11.9114 11.9114 k = 0.0000 0.0000 0.2076 ( 13747 PWs) bands (ev): -1.4740 -1.4740 -0.1842 -0.1842 -0.1839 -0.1839 0.5036 0.5036 0.5148 0.5148 0.6999 0.6999 1.0722 1.0722 2.2344 2.2344 4.7438 4.7438 5.0626 5.0626 5.1303 5.1303 5.2140 5.2140 5.8196 5.8196 5.9651 5.9651 6.3431 6.3431 6.3887 6.3887 6.4054 6.4054 6.5552 6.5552 6.7748 6.7748 6.9798 6.9798 7.1770 7.1770 7.5062 7.5062 7.5260 7.5260 7.5365 7.5365 7.7427 7.7427 8.4969 8.4969 8.6223 8.6223 8.8721 8.8721 8.8824 8.8824 9.0292 9.0292 9.0362 9.0362 9.0824 9.0824 9.1203 9.1203 9.1314 9.1314 9.3899 9.3899 9.3971 9.3971 9.5365 9.5365 9.7120 9.7120 11.1226 11.1226 11.2263 11.2263 11.5377 11.5377 11.5896 11.5896 11.7066 11.7066 11.7220 11.7220 11.8913 11.8913 11.8960 11.8960 11.8992 11.8992 k = 0.0000 0.0000 0.2336 ( 13734 PWs) bands (ev): -1.4489 -1.4489 -0.1688 -0.1688 -0.1686 -0.1686 0.5043 0.5043 0.5153 0.5153 0.6599 0.6599 1.0851 1.0851 2.2123 2.2123 4.7722 4.7722 5.0792 5.0792 5.0917 5.0917 5.1574 5.1574 5.8044 5.8044 5.9574 5.9574 6.3189 6.3189 6.4227 6.4227 6.4538 6.4538 6.5549 6.5549 6.7914 6.7914 6.9952 6.9952 7.1853 7.1853 7.4466 7.4466 7.5003 7.5003 7.5127 7.5127 7.7978 7.7978 8.5014 8.5014 8.6162 8.6162 8.8706 8.8706 8.8814 8.8814 9.0406 9.0406 9.0476 9.0476 9.1385 9.1385 9.1492 9.1492 9.1689 9.1689 9.3958 9.3958 9.4039 9.4039 9.5696 9.5696 9.6413 9.6413 11.1160 11.1160 11.2203 11.2203 11.4795 11.4795 11.5819 11.5819 11.7084 11.7084 11.7183 11.7183 11.8883 11.8883 11.8905 11.8905 11.8914 11.8914 k = 0.0000 0.0000 0.2595 ( 13740 PWs) bands (ev): -1.4209 -1.4209 -0.1518 -0.1518 -0.1517 -0.1517 0.5045 0.5045 0.5153 0.5153 0.6161 0.6161 1.0995 1.0995 2.1882 2.1882 4.8036 4.8036 5.0305 5.0305 5.1040 5.1040 5.1246 5.1246 5.7847 5.7847 5.9452 5.9452 6.2949 6.2949 6.4470 6.4470 6.4941 6.4941 6.5596 6.5596 6.8064 6.8064 7.0187 7.0187 7.1972 7.1972 7.3587 7.3587 7.4955 7.4955 7.5010 7.5010 7.8590 7.8590 8.5041 8.5041 8.5962 8.5962 8.8694 8.8694 8.8809 8.8809 9.0516 9.0516 9.0591 9.0591 9.1579 9.1579 9.1682 9.1682 9.2537 9.2537 9.4019 9.4019 9.4108 9.4108 9.5850 9.5850 9.6055 9.6055 11.1099 11.1099 11.2141 11.2141 11.4244 11.4244 11.5760 11.5760 11.7108 11.7108 11.7160 11.7160 11.8806 11.8814 11.8834 11.8834 11.8838 11.8948 k = 0.0000 0.0000 0.2855 ( 13764 PWs) bands (ev): -1.3902 -1.3902 -0.1333 -0.1333 -0.1333 -0.1333 0.5042 0.5042 0.5148 0.5148 0.5687 0.5687 1.1153 1.1153 2.1621 2.1621 4.8380 4.8380 4.9848 4.9848 5.0544 5.0544 5.1615 5.1615 5.7602 5.7602 5.9271 5.9271 6.2729 6.2729 6.4598 6.4598 6.5253 6.5253 6.5704 6.5704 6.8194 6.8194 7.0497 7.0497 7.2129 7.2129 7.2744 7.2744 7.4915 7.4915 7.4923 7.4923 7.9256 7.9256 8.5047 8.5047 8.5588 8.5588 8.8686 8.8686 8.8811 8.8811 9.0623 9.0623 9.0703 9.0703 9.1783 9.1783 9.1883 9.1883 9.3362 9.3362 9.4087 9.4087 9.4177 9.4177 9.5474 9.5474 9.6440 9.6440 11.1046 11.1046 11.2082 11.2082 11.3743 11.3743 11.5717 11.5717 11.7134 11.7134 11.7157 11.7157 11.8475 11.8475 11.8730 11.8730 11.8762 11.8762 k = 0.0000 0.0000 0.3114 ( 13782 PWs) bands (ev): -1.3568 -1.3568 -0.1135 -0.1135 -0.1134 -0.1134 0.5031 0.5031 0.5135 0.5135 0.5180 0.5180 1.1325 1.1325 2.1342 2.1342 4.8753 4.8753 4.9426 4.9426 5.0088 5.0088 5.2023 5.2023 5.7310 5.7310 5.9016 5.9016 6.2546 6.2546 6.4636 6.4636 6.5465 6.5465 6.5846 6.5846 6.8299 6.8299 7.0844 7.0844 7.1982 7.1982 7.2327 7.2327 7.4846 7.4846 7.4912 7.4912 7.9967 7.9967 8.5025 8.5025 8.5027 8.5027 8.8685 8.8685 8.8821 8.8821 9.0720 9.0720 9.0808 9.0808 9.1995 9.1995 9.2091 9.2091 9.4155 9.4155 9.4178 9.4178 9.4245 9.4245 9.5295 9.5295 9.6845 9.6845 11.1005 11.1005 11.2027 11.2027 11.3299 11.3299 11.5690 11.5690 11.7146 11.7146 11.7176 11.7176 11.7974 11.7974 11.8657 11.8657 11.8690 11.8690 k = 0.0000 0.0000 0.3374 ( 13794 PWs) bands (ev): -1.3207 -1.3207 -0.0923 -0.0923 -0.0921 -0.0921 0.4644 0.4644 0.5012 0.5012 0.5113 0.5113 1.1511 1.1511 2.1046 2.1046 4.9043 4.9043 4.9154 4.9154 4.9678 4.9678 5.2471 5.2471 5.6970 5.6970 5.8681 5.8681 6.2413 6.2413 6.4624 6.4624 6.5582 6.5582 6.5984 6.5984 6.8348 6.8348 7.0937 7.0937 7.1616 7.1616 7.2563 7.2563 7.4806 7.4806 7.4923 7.4923 8.0714 8.0714 8.4287 8.4287 8.4984 8.4984 8.8691 8.8691 8.8842 8.8842 9.0806 9.0806 9.0904 9.0904 9.2211 9.2211 9.2303 9.2303 9.4276 9.4276 9.4309 9.4309 9.4930 9.4930 9.5303 9.5303 9.7266 9.7266 11.0979 11.0979 11.1982 11.1982 11.2918 11.2918 11.5686 11.5686 11.7008 11.7008 11.7221 11.7221 11.7530 11.7530 11.8588 11.8591 11.8623 11.8624 k = 0.0000 0.0000 0.3633 ( 13782 PWs) bands (ev): -1.2819 -1.2819 -0.0699 -0.0699 -0.0695 -0.0695 0.4080 0.4080 0.4982 0.4982 0.5081 0.5081 1.1711 1.1711 2.0737 2.0737 4.8703 4.8703 4.9315 4.9315 4.9582 4.9582 5.2960 5.2960 5.6583 5.6583 5.8267 5.8267 6.2333 6.2333 6.4593 6.4593 6.5614 6.5614 6.6092 6.6092 6.8255 6.8255 7.0534 7.0534 7.1953 7.1953 7.2832 7.2832 7.4794 7.4794 7.4957 7.4957 8.1479 8.1479 8.3412 8.3412 8.4926 8.4926 8.8707 8.8707 8.8874 8.8874 9.0878 9.0878 9.0986 9.0986 9.2429 9.2429 9.2516 9.2516 9.4370 9.4370 9.4382 9.4382 9.5481 9.5481 9.5671 9.5671 9.7696 9.7696 11.0972 11.0972 11.1952 11.1952 11.2601 11.2601 11.5707 11.5707 11.6444 11.6444 11.7293 11.7293 11.7449 11.7449 11.8519 11.8521 11.8559 11.8562 k = 0.0000 0.0000 0.3893 ( 13770 PWs) bands (ev): -1.2406 -1.2406 -0.0464 -0.0464 -0.0458 -0.0458 0.3492 0.3492 0.4941 0.4941 0.5036 0.5036 1.1924 1.1924 2.0414 2.0414 4.8410 4.8410 4.9003 4.9003 5.0036 5.0036 5.3488 5.3488 5.6152 5.6152 5.7785 5.7785 6.2305 6.2305 6.4559 6.4559 6.5575 6.5575 6.6161 6.6161 6.7917 6.7917 7.0283 7.0283 7.2425 7.2425 7.3125 7.3125 7.4812 7.4812 7.5011 7.5011 8.2225 8.2225 8.2444 8.2444 8.4883 8.4883 8.8734 8.8734 8.8917 8.8917 9.0932 9.0932 9.1053 9.1053 9.2646 9.2646 9.2728 9.2728 9.4426 9.4426 9.4468 9.4468 9.5815 9.5815 9.6370 9.6370 9.8131 9.8131 11.0988 11.0988 11.1939 11.1939 11.2350 11.2350 11.5700 11.5700 11.5759 11.5759 11.7393 11.7393 11.7503 11.7503 11.8456 11.8456 11.8499 11.8499 k = 0.0000 0.0000 0.4152 ( 13788 PWs) bands (ev): -1.1969 -1.1969 -0.0218 -0.0218 -0.0210 -0.0210 0.2882 0.2882 0.4886 0.4886 0.4979 0.4979 1.2151 1.2151 2.0080 2.0080 4.8165 4.8165 4.8744 4.8744 5.0514 5.0514 5.4054 5.4054 5.5683 5.5683 5.7248 5.7248 6.2320 6.2320 6.4532 6.4532 6.5478 6.5478 6.6191 6.6191 6.7348 6.7348 7.0260 7.0260 7.2918 7.2918 7.3432 7.3432 7.4856 7.4856 7.5085 7.5085 8.1428 8.1428 8.2858 8.2858 8.4944 8.4944 8.8772 8.8772 8.8972 8.8972 9.0967 9.0967 9.1101 9.1101 9.2859 9.2859 9.2936 9.2936 9.4476 9.4476 9.4534 9.4534 9.6260 9.6260 9.7030 9.7030 9.8562 9.8562 11.1028 11.1028 11.1949 11.1949 11.2163 11.2163 11.4900 11.4900 11.5843 11.5843 11.7520 11.7520 11.7589 11.7589 11.8397 11.8397 11.8442 11.8442 k = 0.0000 0.0000 0.4412 ( 13776 PWs) bands (ev): -1.1507 -1.1507 0.0037 0.0037 0.0047 0.0047 0.2254 0.2254 0.4818 0.4818 0.4907 0.4907 1.2391 1.2391 1.9736 1.9736 4.7971 4.7971 4.8540 4.8540 5.1015 5.1015 5.4653 5.4653 5.5179 5.5179 5.6676 5.6676 6.2372 6.2372 6.4516 6.4516 6.5330 6.5330 6.6186 6.6186 6.6659 6.6659 7.0352 7.0352 7.3408 7.3408 7.3742 7.3742 7.4926 7.4926 7.5175 7.5175 8.0407 8.0407 8.3200 8.3200 8.5282 8.5282 8.8822 8.8822 8.9039 8.9039 9.0981 9.0981 9.1130 9.1130 9.3066 9.3066 9.3138 9.3138 9.4520 9.4520 9.4584 9.4584 9.6774 9.6774 9.7650 9.7650 9.8983 9.8983 11.1096 11.1096 11.1985 11.1985 11.2034 11.2034 11.4080 11.4080 11.5965 11.5965 11.7666 11.7666 11.7686 11.7686 11.8349 11.8349 11.8387 11.8387 k = 0.0000 0.0000 0.4671 ( 13776 PWs) bands (ev): -1.1022 -1.1022 0.0299 0.0299 0.0311 0.0311 0.1611 0.1611 0.4734 0.4734 0.4819 0.4819 1.2643 1.2643 1.9385 1.9385 4.7830 4.7830 4.8393 4.8393 5.1536 5.1536 5.4648 5.4648 5.5253 5.5253 5.6116 5.6116 6.2455 6.2455 6.4513 6.4513 6.5115 6.5115 6.5950 6.5950 6.6152 6.6152 7.0462 7.0462 7.3882 7.3882 7.4044 7.4044 7.5016 7.5016 7.5278 7.5278 7.9426 7.9426 8.3194 8.3194 8.5953 8.5953 8.8884 8.8884 8.9117 8.9117 9.0973 9.0973 9.1139 9.1139 9.3266 9.3266 9.3331 9.3331 9.4559 9.4559 9.4623 9.4623 9.7315 9.7315 9.8226 9.8226 9.9386 9.9386 11.1193 11.1193 11.1959 11.1959 11.2051 11.2051 11.3268 11.3268 11.6126 11.6126 11.7782 11.7782 11.7805 11.7805 11.8330 11.8330 11.8334 11.8334 k = 0.0000 0.0000 0.4931 ( 13776 PWs) bands (ev): -1.0515 -1.0515 0.0568 0.0568 0.0582 0.0582 0.0954 0.0954 0.4634 0.4634 0.4715 0.4715 1.2907 1.2907 1.9026 1.9026 4.7744 4.7744 4.8304 4.8304 5.2073 5.2073 5.4098 5.4098 5.5321 5.5321 5.6113 5.6113 6.2565 6.2565 6.4525 6.4525 6.4734 6.4734 6.5361 6.5361 6.6094 6.6094 7.0520 7.0520 7.4331 7.4331 7.4331 7.4331 7.5124 7.5124 7.5391 7.5391 7.8535 7.8535 8.2978 8.2978 8.6817 8.6817 8.8959 8.8959 8.9207 8.9207 9.0943 9.0943 9.1127 9.1127 9.3455 9.3455 9.3515 9.3515 9.4590 9.4590 9.4652 9.4652 9.7844 9.7844 9.8756 9.8756 9.9765 9.9765 11.1312 11.1312 11.1927 11.1927 11.2150 11.2150 11.2503 11.2503 11.6325 11.6325 11.7863 11.7863 11.7873 11.7873 11.8278 11.8278 11.8378 11.8378 k = 0.0000 0.0000 0.5190 ( 13776 PWs) bands (ev): -0.9987 -0.9987 0.0287 0.0287 0.0841 0.0841 0.0858 0.0858 0.4517 0.4517 0.4594 0.4594 1.3183 1.3183 1.8663 1.8663 4.7713 4.7713 4.8274 4.8274 5.2612 5.2612 5.3535 5.3535 5.4770 5.4770 5.6774 5.6774 6.2699 6.2699 6.4090 6.4090 6.4551 6.4551 6.5009 6.5009 6.6018 6.6018 7.0466 7.0466 7.4595 7.4595 7.4746 7.4746 7.5244 7.5244 7.5509 7.5509 7.7792 7.7792 8.2653 8.2653 8.7772 8.7772 8.9046 8.9046 8.9306 8.9306 9.0893 9.0893 9.1096 9.1096 9.3633 9.3633 9.3686 9.3686 9.4615 9.4615 9.4672 9.4672 9.8315 9.8315 9.9238 9.9238 10.0113 10.0113 11.1394 11.1394 11.1879 11.1879 11.1928 11.1928 11.2284 11.2284 11.6563 11.6563 11.7828 11.7828 11.7919 11.7919 11.8211 11.8211 11.8449 11.8449 k = 0.0000 0.0000 0.5450 ( 13764 PWs) bands (ev): -0.9438 -0.9438 -0.0388 -0.0388 0.1118 0.1118 0.1137 0.1137 0.4383 0.4383 0.4457 0.4457 1.3470 1.3470 1.8297 1.8297 4.7738 4.7738 4.8303 4.8303 5.2967 5.2967 5.3090 5.3090 5.4255 5.4255 5.7513 5.7513 6.2857 6.2857 6.3337 6.3337 6.4591 6.4591 6.4753 6.4753 6.5928 6.5928 7.0246 7.0246 7.4834 7.4834 7.5116 7.5116 7.5369 7.5369 7.5627 7.5627 7.7258 7.7258 8.2261 8.2261 8.8760 8.8760 8.9161 8.9161 8.9415 8.9415 9.0824 9.0824 9.1046 9.1046 9.3797 9.3797 9.3845 9.3845 9.4633 9.4633 9.4684 9.4684 9.8682 9.8682 9.9672 9.9672 10.0424 10.0424 11.1076 11.1076 11.1802 11.1802 11.1948 11.1948 11.2454 11.2454 11.6834 11.6834 11.7680 11.7680 11.7948 11.7948 11.8019 11.8019 11.8352 11.8394 k = 0.0000 0.0000 0.5709 ( 13764 PWs) bands (ev): -0.8871 -0.8871 -0.1068 -0.1068 0.1396 0.1396 0.1418 0.1418 0.4232 0.4232 0.4301 0.4301 1.3767 1.3767 1.7929 1.7929 4.7819 4.7819 4.8391 4.8391 5.2400 5.2400 5.3139 5.3139 5.4190 5.4190 5.8285 5.8285 6.2561 6.2561 6.3039 6.3039 6.4512 6.4512 6.4643 6.4643 6.5828 6.5828 6.9829 6.9829 7.5044 7.5044 7.5423 7.5423 7.5492 7.5492 7.5742 7.5742 7.6980 7.6980 8.1824 8.1824 8.9221 8.9221 8.9532 8.9532 8.9842 8.9842 9.0738 9.0738 9.0978 9.0978 9.3946 9.3946 9.3991 9.3991 9.4643 9.4643 9.4689 9.4689 9.8894 9.8894 10.0054 10.0054 10.0692 10.0692 11.0661 11.0661 11.1972 11.1972 11.2012 11.2012 11.2663 11.2663 11.7126 11.7126 11.7416 11.7416 11.7500 11.7500 11.7959 11.7959 11.8219 11.8221 k = 0.0000 0.0000 0.5969 ( 13728 PWs) bands (ev): -0.8285 -0.8285 -0.1751 -0.1751 0.1674 0.1674 0.1699 0.1699 0.4064 0.4064 0.4129 0.4129 1.4075 1.4075 1.7559 1.7559 4.7954 4.7954 4.8537 4.8537 5.1843 5.1843 5.2675 5.2675 5.4671 5.4671 5.9077 5.9077 6.1782 6.1782 6.3250 6.3250 6.4267 6.4267 6.4707 6.4707 6.5720 6.5720 6.9229 6.9229 7.5229 7.5229 7.5602 7.5602 7.5649 7.5649 7.5849 7.5849 7.6966 7.6966 8.1354 8.1354 8.9345 8.9345 8.9656 8.9656 9.0637 9.0637 9.0884 9.0884 9.0896 9.0896 9.4081 9.4081 9.4123 9.4123 9.4646 9.4646 9.4685 9.4685 9.8907 9.8907 10.0385 10.0385 10.0915 10.0915 11.0407 11.0407 11.1984 11.1984 11.2283 11.2283 11.2909 11.2909 11.6897 11.6897 11.7033 11.7033 11.7452 11.7452 11.7958 11.7961 11.8175 11.8179 k = 0.0000 0.0000 0.6228 ( 13722 PWs) bands (ev): -0.7682 -0.7682 -0.2434 -0.2434 0.1949 0.1949 0.1978 0.1978 0.3880 0.3880 0.3941 0.3941 1.4393 1.4393 1.7191 1.7191 4.8144 4.8144 4.8741 4.8741 5.1302 5.1302 5.2120 5.2120 5.5281 5.5281 5.9876 5.9876 6.1008 6.1008 6.3498 6.3498 6.4010 6.4010 6.4781 6.4781 6.5609 6.5609 6.8492 6.8492 7.5388 7.5388 7.5693 7.5693 7.5803 7.5803 7.5942 7.5942 7.7163 7.7163 8.0861 8.0861 8.9468 8.9468 8.9785 8.9785 9.0524 9.0524 9.0799 9.0799 9.1938 9.1938 9.4200 9.4200 9.4242 9.4242 9.4641 9.4641 9.4674 9.4674 9.8697 9.8697 10.0665 10.0665 10.1090 10.1090 11.0342 11.0342 11.1963 11.1963 11.2598 11.2598 11.3194 11.3194 11.6320 11.6320 11.6576 11.6576 11.7745 11.7745 11.7954 11.7955 11.8170 11.8173 k = 0.0000 0.0000 0.6488 ( 13716 PWs) bands (ev): -0.7064 -0.7064 -0.3116 -0.3116 0.2222 0.2222 0.2254 0.2254 0.3680 0.3680 0.3737 0.3737 1.4719 1.4719 1.6824 1.6824 4.8386 4.8386 4.9000 4.9000 5.0781 5.0781 5.1567 5.1567 5.5933 5.5933 6.0243 6.0243 6.0662 6.0662 6.3733 6.3733 6.3800 6.3800 6.4865 6.4865 6.5495 6.5495 6.7676 6.7676 7.5523 7.5523 7.5758 7.5758 7.5917 7.5917 7.6018 7.6018 7.7492 7.7492 8.0355 8.0355 8.9596 8.9596 8.9917 8.9917 9.0401 9.0401 9.0692 9.0692 9.2983 9.2983 9.4303 9.4303 9.4351 9.4351 9.4627 9.4627 9.4653 9.4653 9.8270 9.8270 10.0895 10.0895 10.1214 10.1214 11.0449 11.0449 11.1892 11.1892 11.2951 11.2951 11.3515 11.3515 11.5758 11.5758 11.6090 11.6090 11.7936 11.7936 11.7951 11.7951 11.8138 11.8139 k = 0.0000 0.0000 0.6747 ( 13728 PWs) bands (ev): -0.6432 -0.6432 -0.3794 -0.3794 0.2488 0.2488 0.2524 0.2524 0.3466 0.3466 0.3518 0.3518 1.5054 1.5054 1.6460 1.6460 4.8678 4.8678 4.9313 4.9313 5.0288 5.0288 5.1039 5.1039 5.6610 5.6610 5.9489 5.9489 6.1404 6.1404 6.3424 6.3424 6.4179 6.4179 6.4957 6.4957 6.5381 6.5381 6.6836 6.6836 7.5633 7.5633 7.5794 7.5794 7.6004 7.6004 7.6071 7.6071 7.7896 7.7896 7.9841 7.9841 8.9729 8.9729 9.0052 9.0052 9.0272 9.0272 9.0574 9.0574 9.3973 9.3973 9.4391 9.4391 9.4484 9.4484 9.4603 9.4603 9.4623 9.4623 9.7654 9.7654 10.1074 10.1074 10.1288 10.1288 11.0681 11.0681 11.1757 11.1757 11.3340 11.3340 11.3872 11.3872 11.5219 11.5219 11.5604 11.5604 11.7951 11.7951 11.7976 11.7976 11.8102 11.8104 k = 0.0000 0.0000 0.7007 ( 13728 PWs) bands (ev): -0.5787 -0.5787 -0.4466 -0.4466 0.2748 0.2748 0.2788 0.2788 0.3238 0.3238 0.3286 0.3286 1.5396 1.5396 1.6100 1.6100 4.9018 4.9018 4.9677 4.9677 4.9827 4.9827 5.0544 5.0544 5.7306 5.7306 5.8747 5.8747 6.2065 6.2065 6.3061 6.3061 6.4668 6.4668 6.5056 6.5056 6.5269 6.5269 6.6023 6.6023 7.5717 7.5717 7.5799 7.5799 7.6065 7.6065 7.6099 7.6099 7.8347 7.8347 7.9330 7.9330 8.9864 8.9864 9.0138 9.0138 9.0187 9.0187 9.0450 9.0450 9.4437 9.4437 9.4464 9.4464 9.4569 9.4569 9.4582 9.4582 9.5099 9.5099 9.6891 9.6891 10.1203 10.1203 10.1310 10.1310 11.0977 11.0977 11.1551 11.1551 11.3763 11.3763 11.4262 11.4262 11.4705 11.4705 11.5133 11.5133 11.7955 11.7956 11.7972 11.7973 11.8086 11.8092 k = 0.0000 0.0000 0.7266 ( 13704 PWs) bands (ev): -0.5131 -0.5131 -0.5131 -0.5131 0.2998 0.2998 0.2998 0.2998 0.3042 0.3042 0.3042 0.3042 1.5746 1.5746 1.5746 1.5746 4.9402 4.9402 4.9402 4.9402 5.0089 5.0089 5.0089 5.0089 5.8019 5.8019 5.8019 5.8019 6.2617 6.2617 6.2617 6.2617 6.5160 6.5160 6.5160 6.5160 6.5286 6.5286 6.5286 6.5286 7.5773 7.5773 7.5773 7.5773 7.6097 7.6097 7.6097 7.6097 7.8829 7.8829 7.8829 7.8829 9.0001 9.0001 9.0001 9.0001 9.0320 9.0320 9.0320 9.0320 9.4523 9.4523 9.4523 9.4523 9.4526 9.4526 9.4526 9.4526 9.6023 9.6023 9.6023 9.6023 10.1282 10.1282 10.1282 10.1282 11.1282 11.1282 11.1282 11.1282 11.4219 11.4219 11.4219 11.4219 11.4684 11.4684 11.4684 11.4684 11.7963 11.7963 11.7964 11.7967 11.8085 11.8085 k = 0.0000 0.0000 0.7266 ( 13704 PWs) bands (ev): -0.5131 -0.5131 -0.5131 -0.5131 0.2998 0.2998 0.2998 0.2998 0.3042 0.3042 0.3042 0.3042 1.5746 1.5746 1.5746 1.5746 4.9402 4.9402 4.9402 4.9402 5.0089 5.0089 5.0089 5.0089 5.8019 5.8019 5.8019 5.8019 6.2617 6.2617 6.2617 6.2617 6.5160 6.5160 6.5160 6.5160 6.5286 6.5286 6.5286 6.5286 7.5773 7.5773 7.5773 7.5773 7.6097 7.6097 7.6097 7.6097 7.8829 7.8829 7.8829 7.8829 9.0001 9.0001 9.0001 9.0001 9.0320 9.0320 9.0320 9.0320 9.4523 9.4523 9.4523 9.4523 9.4526 9.4526 9.4526 9.4526 9.6023 9.6023 9.6023 9.6023 10.1282 10.1282 10.1282 10.1282 11.1282 11.1282 11.1282 11.1282 11.4219 11.4219 11.4219 11.4219 11.4684 11.4684 11.4684 11.4684 11.7963 11.7963 11.7963 11.7968 11.8085 11.8085 k = 0.0227 0.0131 0.7266 ( 13724 PWs) bands (ev): -0.5121 -0.5121 -0.5121 -0.5121 0.2992 0.2992 0.2993 0.2993 0.3036 0.3036 0.3037 0.3037 1.5737 1.5737 1.5737 1.5737 4.9399 4.9399 4.9401 4.9401 5.0088 5.0088 5.0090 5.0090 5.8063 5.8063 5.8063 5.8063 6.2567 6.2567 6.2568 6.2568 6.5001 6.5001 6.5006 6.5006 6.5491 6.5491 6.5495 6.5495 7.5769 7.5769 7.5770 7.5770 7.6092 7.6092 7.6093 7.6093 7.8806 7.8806 7.8806 7.8806 9.0006 9.0006 9.0007 9.0007 9.0324 9.0324 9.0325 9.0325 9.4513 9.4513 9.4513 9.4513 9.4523 9.4523 9.4523 9.4523 9.6030 9.6030 9.6030 9.6030 10.1294 10.1294 10.1294 10.1294 11.1306 11.1306 11.1306 11.1306 11.4144 11.4144 11.4150 11.4150 11.4618 11.4618 11.4628 11.4628 11.7695 11.7696 11.7815 11.7815 11.8032 11.8032 k = 0.0455 0.0262 0.7266 ( 13704 PWs) bands (ev): -0.5088 -0.5088 -0.5088 -0.5088 0.2973 0.2973 0.2977 0.2977 0.3017 0.3017 0.3021 0.3021 1.5712 1.5712 1.5712 1.5712 4.9382 4.9382 4.9394 4.9394 5.0092 5.0092 5.0106 5.0106 5.8191 5.8191 5.8194 5.8194 6.2418 6.2418 6.2428 6.2428 6.4849 6.4849 6.4872 6.4872 6.5774 6.5774 6.5788 6.5788 7.5757 7.5757 7.5763 7.5763 7.6075 7.6075 7.6082 7.6082 7.8738 7.8738 7.8739 7.8739 9.0020 9.0020 9.0025 9.0025 9.0335 9.0335 9.0340 9.0340 9.4485 9.4485 9.4486 9.4486 9.4512 9.4512 9.4514 9.4514 9.6052 9.6052 9.6053 9.6053 10.1327 10.1327 10.1327 10.1327 11.1376 11.1376 11.1377 11.1377 11.3925 11.3925 11.3955 11.3955 11.4410 11.4410 11.4467 11.4467 11.7268 11.7268 11.7507 11.7507 11.8044 11.8044 k = 0.0682 0.0394 0.7266 ( 13696 PWs) bands (ev): -0.5035 -0.5035 -0.5035 -0.5035 0.2940 0.2940 0.2952 0.2952 0.2984 0.2984 0.2997 0.2997 1.5671 1.5671 1.5671 1.5671 4.9328 4.9328 4.9362 4.9362 5.0124 5.0124 5.0164 5.0164 5.8394 5.8394 5.8405 5.8405 6.2183 6.2183 6.2210 6.2210 6.4758 6.4758 6.4810 6.4810 6.6072 6.6072 6.6099 6.6099 7.5730 7.5730 7.5752 7.5752 7.6043 7.6043 7.6068 7.6068 7.8631 7.8631 7.8631 7.8631 9.0039 9.0039 9.0057 9.0057 9.0350 9.0350 9.0367 9.0367 9.4439 9.4439 9.4440 9.4440 9.4496 9.4496 9.4499 9.4499 9.6087 9.6087 9.6091 9.6091 10.1381 10.1381 10.1382 10.1382 11.1488 11.1488 11.1491 11.1491 11.3592 11.3592 11.3645 11.3645 11.4076 11.4076 11.4185 11.4185 11.6921 11.6921 11.7223 11.7223 11.8145 11.8145 k = 0.0909 0.0525 0.7266 ( 13706 PWs) bands (ev): -0.4960 -0.4960 -0.4960 -0.4960 0.2891 0.2891 0.2918 0.2918 0.2938 0.2938 0.2965 0.2965 1.5615 1.5615 1.5615 1.5615 4.9228 4.9228 4.9290 4.9290 5.0208 5.0208 5.0279 5.0279 5.8658 5.8658 5.8683 5.8683 6.1882 6.1882 6.1938 6.1938 6.4726 6.4726 6.4814 6.4814 6.6370 6.6370 6.6412 6.6412 7.5685 7.5685 7.5734 7.5734 7.5996 7.5996 7.6053 7.6053 7.8490 7.8490 7.8491 7.8491 9.0062 9.0062 9.0103 9.0103 9.0367 9.0367 9.0407 9.0407 9.4376 9.4376 9.4376 9.4376 9.4479 9.4479 9.4482 9.4482 9.6136 9.6136 9.6144 9.6144 10.1453 10.1453 10.1454 10.1454 11.1630 11.1630 11.1640 11.1640 11.3181 11.3181 11.3220 11.3220 11.3674 11.3674 11.3786 11.3786 11.6709 11.6709 11.7021 11.7021 11.8298 11.8298 k = 0.1136 0.0656 0.7266 ( 13718 PWs) bands (ev): -0.4865 -0.4865 -0.4865 -0.4865 0.2826 0.2826 0.2865 0.2865 0.2888 0.2888 0.2927 0.2927 1.5545 1.5545 1.5546 1.5546 4.9091 4.9091 4.9176 4.9176 5.0350 5.0350 5.0453 5.0453 5.8963 5.8963 5.9013 5.9013 6.1542 6.1542 6.1636 6.1636 6.4742 6.4742 6.4873 6.4873 6.6658 6.6658 6.6716 6.6716 7.5616 7.5616 7.5702 7.5702 7.5934 7.5934 7.6039 7.6039 7.8327 7.8327 7.8327 7.8327 9.0086 9.0086 9.0164 9.0164 9.0384 9.0384 9.0459 9.0459 9.4294 9.4294 9.4297 9.4297 9.4463 9.4463 9.4466 9.4466 9.6196 9.6196 9.6211 9.6211 10.1537 10.1537 10.1540 10.1540 11.1777 11.1777 11.1798 11.1798 11.2704 11.2704 11.2711 11.2711 11.3263 11.3263 11.3331 11.3331 11.6619 11.6619 11.6902 11.6902 11.8478 11.8478 k = 0.1364 0.0787 0.7266 ( 13722 PWs) bands (ev): -0.4749 -0.4749 -0.4749 -0.4749 0.2744 0.2744 0.2785 0.2785 0.2843 0.2843 0.2883 0.2883 1.5464 1.5464 1.5465 1.5465 4.8931 4.8931 4.9032 4.9032 5.0548 5.0548 5.0676 5.0676 5.9281 5.9281 5.9371 5.9371 6.1192 6.1192 6.1338 6.1338 6.4798 6.4798 6.4974 6.4974 6.6931 6.6931 6.7005 6.7005 7.5517 7.5517 7.5637 7.5637 7.5870 7.5870 7.6023 7.6023 7.8153 7.8153 7.8156 7.8156 9.0110 9.0110 9.0237 9.0237 9.0400 9.0400 9.0523 9.0523 9.4196 9.4196 9.4202 9.4202 9.4452 9.4452 9.4454 9.4454 9.6268 9.6268 9.6290 9.6290 10.1629 10.1629 10.1635 10.1635 11.1786 11.1786 11.1817 11.1817 11.2237 11.2237 11.2282 11.2282 11.2887 11.2887 11.2940 11.2940 11.6617 11.6617 11.6850 11.6850 11.8665 11.8665 k = 0.1591 0.0919 0.7266 ( 13734 PWs) bands (ev): -0.4613 -0.4613 -0.4613 -0.4613 0.2645 0.2645 0.2686 0.2686 0.2795 0.2795 0.2836 0.2836 1.5374 1.5374 1.5374 1.5374 4.8759 4.8759 4.8871 4.8871 5.0792 5.0792 5.0941 5.0941 5.9555 5.9555 5.9707 5.9707 6.0883 6.0883 6.1100 6.1100 6.4882 6.4882 6.5106 6.5106 6.7182 6.7182 6.7274 6.7274 7.5384 7.5384 7.5512 7.5512 7.5823 7.5823 7.6004 7.6004 7.7983 7.7983 7.7991 7.7991 9.0131 9.0131 9.0321 9.0321 9.0412 9.0412 9.0597 9.0597 9.4084 9.4084 9.4093 9.4093 9.4448 9.4448 9.4450 9.4450 9.6351 9.6351 9.6380 9.6380 10.1723 10.1723 10.1732 10.1732 11.1268 11.1268 11.1422 11.1422 11.1950 11.1950 11.2201 11.2201 11.2678 11.2678 11.2798 11.2798 11.6676 11.6676 11.6848 11.6848 11.8824 11.8824 k = 0.1818 0.1050 0.7266 ( 13740 PWs) bands (ev): -0.4458 -0.4458 -0.4458 -0.4458 0.2527 0.2527 0.2567 0.2567 0.2745 0.2745 0.2785 0.2785 1.5276 1.5276 1.5277 1.5277 4.8586 4.8586 4.8705 4.8705 5.1075 5.1075 5.1241 5.1241 5.9677 5.9677 5.9858 5.9858 6.0777 6.0777 6.1031 6.1031 6.4985 6.4985 6.5263 6.5263 6.7410 6.7410 6.7522 6.7522 7.5214 7.5214 7.5321 7.5321 7.5794 7.5794 7.5980 7.5980 7.7831 7.7831 7.7845 7.7845 9.0149 9.0149 9.0402 9.0402 9.0431 9.0431 9.0678 9.0678 9.3961 9.3961 9.3972 9.3972 9.4455 9.4455 9.4456 9.4456 9.6443 9.6443 9.6481 9.6481 10.1810 10.1810 10.1823 10.1823 11.0618 11.0618 11.0815 11.0815 11.1640 11.1640 11.1942 11.1942 11.2812 11.2812 11.2931 11.2931 11.6775 11.6775 11.6878 11.6878 11.8848 11.8857 k = 0.2045 0.1181 0.7266 ( 13734 PWs) bands (ev): -0.4285 -0.4285 -0.4284 -0.4284 0.2391 0.2391 0.2430 0.2430 0.2694 0.2694 0.2732 0.2732 1.5174 1.5174 1.5174 1.5174 4.8418 4.8418 4.8540 4.8540 5.1391 5.1391 5.1571 5.1571 5.9571 5.9571 5.9676 5.9676 6.1019 6.1019 6.1204 6.1204 6.5099 6.5099 6.5434 6.5434 6.7614 6.7614 6.7750 6.7750 7.5004 7.5004 7.5073 7.5073 7.5776 7.5776 7.5952 7.5952 7.7706 7.7706 7.7726 7.7726 9.0162 9.0162 9.0413 9.0413 9.0521 9.0521 9.0765 9.0765 9.3829 9.3829 9.3841 9.3841 9.4476 9.4476 9.4476 9.4476 9.6543 9.6543 9.6589 9.6589 10.1880 10.1880 10.1899 10.1899 10.9967 10.9967 11.0193 11.0193 11.1299 11.1299 11.1623 11.1623 11.3068 11.3068 11.3172 11.3172 11.6896 11.6896 11.6917 11.6917 11.8426 11.8427 k = 0.2273 0.1312 0.7266 ( 13730 PWs) bands (ev): -0.4093 -0.4093 -0.4092 -0.4092 0.2236 0.2236 0.2273 0.2273 0.2643 0.2643 0.2679 0.2679 1.5069 1.5069 1.5069 1.5069 4.8260 4.8260 4.8382 4.8382 5.1735 5.1735 5.1923 5.1923 5.9326 5.9326 5.9353 5.9353 6.1414 6.1414 6.1529 6.1529 6.5214 6.5214 6.5609 6.5609 6.7798 6.7798 6.7960 6.7960 7.4758 7.4758 7.4778 7.4778 7.5763 7.5763 7.5920 7.5920 7.7613 7.7613 7.7638 7.7638 9.0168 9.0168 9.0405 9.0405 9.0626 9.0626 9.0855 9.0855 9.3691 9.3691 9.3704 9.3704 9.4512 9.4512 9.4513 9.4513 9.6648 9.6648 9.6702 9.6702 10.1920 10.1920 10.1947 10.1947 10.9349 10.9349 10.9602 10.9602 11.0979 11.0979 11.1324 11.1324 11.3352 11.3352 11.3448 11.3448 11.6916 11.6916 11.7002 11.7002 11.7944 11.7945 k = 0.2500 0.1443 0.7266 ( 13726 PWs) bands (ev): -0.3885 -0.3885 -0.3883 -0.3883 0.2062 0.2062 0.2097 0.2097 0.2591 0.2591 0.2625 0.2625 1.4963 1.4963 1.4964 1.4964 4.8115 4.8115 4.8235 4.8235 5.2099 5.2099 5.2290 5.2290 5.9006 5.9006 5.9033 5.9033 6.1841 6.1841 6.1911 6.1911 6.5317 6.5317 6.5778 6.5778 6.7966 6.7966 6.8155 6.8155 7.4452 7.4452 7.4482 7.4482 7.5753 7.5753 7.5888 7.5888 7.7552 7.7552 7.7578 7.7578 9.0167 9.0167 9.0388 9.0388 9.0732 9.0732 9.0946 9.0946 9.3549 9.3549 9.3562 9.3562 9.4566 9.4566 9.4569 9.4569 9.6755 9.6755 9.6816 9.6816 10.1919 10.1919 10.1955 10.1955 10.8789 10.8789 10.9069 10.9069 11.0697 11.0697 11.1064 11.1064 11.3642 11.3642 11.3732 11.3732 11.6773 11.6773 11.6935 11.6935 11.7624 11.7624 k = 0.2727 0.1575 0.7266 ( 13718 PWs) bands (ev): -0.3660 -0.3660 -0.3658 -0.3658 0.1869 0.1869 0.1903 0.1903 0.2542 0.2542 0.2573 0.2573 1.4860 1.4860 1.4861 1.4861 4.7985 4.7985 4.8101 4.8101 5.2477 5.2477 5.2666 5.2666 5.8666 5.8666 5.8736 5.8736 6.2268 6.2268 6.2308 6.2308 6.5399 6.5399 6.5924 6.5924 6.8127 6.8127 6.8343 6.8343 7.4108 7.4108 7.4186 7.4186 7.5745 7.5745 7.5856 7.5856 7.7516 7.7516 7.7540 7.7540 9.0158 9.0158 9.0361 9.0361 9.0837 9.0837 9.1034 9.1034 9.3409 9.3409 9.3421 9.3421 9.4642 9.4642 9.4645 9.4645 9.6861 9.6861 9.6929 9.6929 10.1862 10.1862 10.1909 10.1909 10.8309 10.8309 10.8619 10.8619 11.0460 11.0460 11.0851 11.0851 11.3925 11.3925 11.4009 11.4009 11.6410 11.6410 11.6516 11.6516 11.7654 11.7655 k = 0.2955 0.1706 0.7266 ( 13720 PWs) bands (ev): -0.3421 -0.3421 -0.3418 -0.3418 0.1659 0.1659 0.1691 0.1691 0.2494 0.2494 0.2523 0.2523 1.4761 1.4761 1.4762 1.4762 4.7872 4.7872 4.7981 4.7981 5.2861 5.2861 5.3040 5.3040 5.8348 5.8348 5.8454 5.8454 6.2678 6.2678 6.2700 6.2700 6.5447 6.5447 6.6032 6.6032 6.8289 6.8289 6.8528 6.8528 7.3761 7.3761 7.3883 7.3883 7.5740 7.5740 7.5827 7.5827 7.7501 7.7501 7.7521 7.7521 9.0141 9.0141 9.0326 9.0326 9.0939 9.0939 9.1117 9.1117 9.3273 9.3273 9.3284 9.3284 9.4741 9.4741 9.4742 9.4742 9.6959 9.6959 9.7035 9.7035 10.1739 10.1739 10.1798 10.1798 10.7930 10.7930 10.8267 10.8267 11.0273 11.0273 11.0689 11.0689 11.4193 11.4193 11.4264 11.4264 11.5903 11.5903 11.5970 11.5970 11.7816 11.7821 k = 0.3182 0.1837 0.7266 ( 13726 PWs) bands (ev): -0.3167 -0.3167 -0.3164 -0.3164 0.1432 0.1432 0.1462 0.1462 0.2450 0.2450 0.2476 0.2476 1.4668 1.4668 1.4669 1.4669 4.7774 4.7774 4.7875 4.7875 5.3243 5.3243 5.3405 5.3405 5.8060 5.8060 5.8200 5.8200 6.3062 6.3062 6.3076 6.3076 6.5457 6.5457 6.6088 6.6088 6.8462 6.8462 6.8713 6.8713 7.3426 7.3426 7.3584 7.3584 7.5736 7.5736 7.5803 7.5803 7.7499 7.7499 7.7514 7.7514 9.0117 9.0117 9.0283 9.0283 9.1033 9.1033 9.1193 9.1193 9.3145 9.3145 9.3155 9.3155 9.4862 9.4862 9.4862 9.4862 9.7046 9.7046 9.7129 9.7129 10.1550 10.1550 10.1619 10.1619 10.7661 10.7661 10.8025 10.8025 11.0136 11.0136 11.0578 11.0578 11.4433 11.4433 11.4471 11.4471 11.5341 11.5341 11.5421 11.5421 11.7992 11.7993 k = 0.3409 0.1968 0.7266 ( 13750 PWs) bands (ev): -0.2902 -0.2902 -0.2897 -0.2897 0.1189 0.1189 0.1216 0.1216 0.2409 0.2409 0.2433 0.2433 1.4582 1.4582 1.4583 1.4583 4.7693 4.7693 4.7785 4.7785 5.3610 5.3610 5.3747 5.3747 5.7810 5.7810 5.7981 5.7981 6.3415 6.3415 6.3430 6.3430 6.5425 6.5425 6.6086 6.6086 6.8646 6.8646 6.8897 6.8897 7.3114 7.3114 7.3298 7.3298 7.5733 7.5733 7.5782 7.5782 7.7507 7.7507 7.7517 7.7517 9.0088 9.0088 9.0234 9.0234 9.1118 9.1118 9.1259 9.1259 9.3029 9.3029 9.3038 9.3038 9.5003 9.5003 9.5007 9.5007 9.7115 9.7115 9.7205 9.7205 10.1301 10.1301 10.1377 10.1377 10.7506 10.7506 10.7890 10.7890 11.0048 11.0048 11.0516 11.0516 11.4499 11.4499 11.4588 11.4588 11.4814 11.4814 11.5019 11.5019 11.8044 11.8046 k = 0.3636 0.2099 0.7266 ( 13752 PWs) bands (ev): -0.2625 -0.2625 -0.2619 -0.2619 0.0931 0.0931 0.0957 0.0957 0.2373 0.2373 0.2393 0.2393 1.4505 1.4505 1.4506 1.4506 4.7627 4.7627 4.7708 4.7708 5.3950 5.3950 5.4056 5.4056 5.7607 5.7607 5.7804 5.7804 6.3729 6.3729 6.3758 6.3758 6.5357 6.5357 6.6028 6.6028 6.8839 6.8839 6.9076 6.9076 7.2837 7.2837 7.3033 7.3033 7.5732 7.5732 7.5765 7.5765 7.7519 7.7519 7.7525 7.7525 9.0055 9.0055 9.0181 9.0181 9.1192 9.1192 9.1314 9.1314 9.2930 9.2930 9.2938 9.2938 9.5167 9.5167 9.5175 9.5175 9.7160 9.7160 9.7256 9.7256 10.1012 10.1012 10.1091 10.1091 10.7456 10.7456 10.7852 10.7852 11.0004 11.0004 11.0497 11.0497 11.4110 11.4110 11.4143 11.4143 11.4849 11.4849 11.5009 11.5009 11.8034 11.8038 k = 0.3864 0.2231 0.7266 ( 13750 PWs) bands (ev): -0.2338 -0.2338 -0.2332 -0.2332 0.0661 0.0661 0.0684 0.0684 0.2341 0.2341 0.2359 0.2359 1.4438 1.4438 1.4439 1.4439 4.7576 4.7576 4.7645 4.7645 5.4249 5.4249 5.4320 5.4320 5.7457 5.7457 5.7672 5.7672 6.4001 6.4001 6.4055 6.4055 6.5263 6.5263 6.5923 6.5923 6.9029 6.9029 6.9241 6.9241 7.2601 7.2601 7.2797 7.2797 7.5731 7.5731 7.5753 7.5753 7.7534 7.7534 7.7536 7.7536 9.0021 9.0021 9.0126 9.0126 9.1253 9.1253 9.1355 9.1355 9.2848 9.2848 9.2856 9.2856 9.5350 9.5350 9.5364 9.5364 9.7175 9.7175 9.7275 9.7275 10.0707 10.0707 10.0785 10.0785 10.7495 10.7495 10.7892 10.7892 10.9997 10.9997 11.0512 11.0512 11.3588 11.3588 11.3610 11.3610 11.4968 11.4968 11.5091 11.5091 11.7977 11.7977 k = 0.4091 0.2362 0.7266 ( 13742 PWs) bands (ev): -0.2044 -0.2044 -0.2036 -0.2036 0.0379 0.0379 0.0400 0.0400 0.2315 0.2315 0.2329 0.2329 1.4382 1.4382 1.4383 1.4383 4.7537 4.7537 4.7594 4.7594 5.4494 5.4494 5.4532 5.4532 5.7365 5.7365 5.7582 5.7582 6.4227 6.4227 6.4317 6.4317 6.5160 6.5160 6.5787 6.5787 6.9205 6.9205 6.9385 6.9385 7.2413 7.2413 7.2592 7.2592 7.5731 7.5731 7.5744 7.5744 7.7548 7.7548 7.7548 7.7548 8.9989 8.9989 9.0073 9.0073 9.1302 9.1302 9.1382 9.1382 9.2785 9.2785 9.2792 9.2792 9.5548 9.5548 9.5569 9.5569 9.7156 9.7156 9.7257 9.7257 10.0414 10.0414 10.0487 10.0487 10.7601 10.7601 10.7985 10.7985 11.0022 11.0022 11.0547 11.0547 11.3065 11.3065 11.3132 11.3132 11.5047 11.5047 11.5146 11.5146 11.7908 11.7915 k = 0.4318 0.2493 0.7266 ( 13750 PWs) bands (ev): -0.1743 -0.1743 -0.1734 -0.1734 0.0088 0.0088 0.0107 0.0107 0.2295 0.2295 0.2306 0.2306 1.4338 1.4338 1.4338 1.4338 4.7511 4.7511 4.7554 4.7554 5.4676 5.4676 5.4689 5.4689 5.7330 5.7330 5.7526 5.7526 6.4404 6.4404 6.4535 6.4535 6.5068 6.5068 6.5636 6.5636 6.9356 6.9356 6.9497 6.9497 7.2275 7.2275 7.2424 7.2424 7.5731 7.5731 7.5738 7.5738 7.7560 7.7560 7.7561 7.7561 8.9962 8.9962 9.0025 9.0025 9.1338 9.1338 9.1398 9.1398 9.2741 9.2741 9.2747 9.2747 9.5755 9.5755 9.5783 9.5783 9.7101 9.7101 9.7198 9.7198 10.0161 10.0161 10.0223 10.0223 10.7753 10.7753 10.8098 10.8098 11.0075 11.0075 11.0582 11.0582 11.2605 11.2605 11.2711 11.2711 11.5087 11.5087 11.5163 11.5163 11.7856 11.7857 k = 0.4545 0.2624 0.7266 ( 13734 PWs) bands (ev): -0.1438 -0.1438 -0.1428 -0.1428 -0.0210 -0.0210 -0.0193 -0.0193 0.2281 0.2281 0.2288 0.2288 1.4306 1.4306 1.4306 1.4306 4.7495 4.7495 4.7524 4.7524 5.4794 5.4794 5.4796 5.4796 5.7340 5.7340 5.7490 5.7490 6.4535 6.4535 6.4684 6.4684 6.5025 6.5025 6.5484 6.5484 6.9476 6.9476 6.9573 6.9573 7.2188 7.2188 7.2294 7.2294 7.5731 7.5731 7.5734 7.5734 7.7569 7.7569 7.7570 7.7570 8.9942 8.9942 8.9985 8.9985 9.1364 9.1364 9.1404 9.1404 9.2713 9.2713 9.2717 9.2717 9.5959 9.5959 9.5992 9.5992 9.7016 9.7016 9.7100 9.7100 9.9969 9.9969 10.0015 10.0015 10.7924 10.7924 10.8194 10.8194 11.0157 11.0157 11.0587 11.0587 11.2245 11.2245 11.2367 11.2367 11.5102 11.5102 11.5154 11.5154 11.7826 11.7829 k = 0.4773 0.2756 0.7266 ( 13748 PWs) bands (ev): -0.1130 -0.1130 -0.1118 -0.1118 -0.0514 -0.0514 -0.0499 -0.0499 0.2273 0.2273 0.2277 0.2277 1.4286 1.4286 1.4287 1.4287 4.7489 4.7489 4.7503 4.7503 5.4856 5.4856 5.4859 5.4859 5.7376 5.7376 5.7457 5.7457 6.4626 6.4626 6.4722 6.4722 6.5081 6.5081 6.5338 6.5338 6.9560 6.9560 6.9609 6.9609 7.2149 7.2149 7.2205 7.2205 7.5731 7.5731 7.5732 7.5732 7.7575 7.7575 7.7576 7.7576 8.9934 8.9934 8.9955 8.9955 9.1383 9.1383 9.1402 9.1402 9.2698 9.2698 9.2700 9.2700 9.6133 9.6133 9.6161 9.6161 9.6929 9.6929 9.6984 9.6984 9.9854 9.9854 9.9878 9.9878 10.8082 10.8082 10.8234 10.8234 11.0273 11.0273 11.0531 11.0531 11.2036 11.2036 11.2122 11.2122 11.5108 11.5108 11.5134 11.5134 11.7815 11.7832 k = 0.5000 0.2887 0.7266 ( 13748 PWs) bands (ev): -0.0829 -0.0829 -0.0829 -0.0829 -0.0801 -0.0801 -0.0801 -0.0801 0.2272 0.2272 0.2272 0.2272 1.4280 1.4280 1.4280 1.4280 4.7492 4.7492 4.7492 4.7492 5.4877 5.4877 5.4877 5.4877 5.7419 5.7419 5.7419 5.7419 6.4688 6.4688 6.4688 6.4688 6.5201 6.5201 6.5201 6.5201 6.9604 6.9604 6.9604 6.9604 7.2156 7.2156 7.2156 7.2156 7.5731 7.5731 7.5731 7.5731 7.7578 7.7578 7.7578 7.7578 8.9938 8.9938 8.9938 8.9938 9.1395 9.1395 9.1395 9.1395 9.2694 9.2694 9.2694 9.2694 9.6221 9.6221 9.6221 9.6221 9.6906 9.6906 9.6906 9.6906 9.9824 9.9824 9.9824 9.9824 10.8195 10.8195 10.8195 10.8195 11.0412 11.0412 11.0412 11.0412 11.2001 11.2001 11.2001 11.2001 11.5117 11.5117 11.5117 11.5117 11.7820 11.7820 k = 0.5000 0.2887 0.7266 ( 13748 PWs) bands (ev): -0.0829 -0.0829 -0.0829 -0.0829 -0.0801 -0.0801 -0.0801 -0.0801 0.2272 0.2272 0.2272 0.2272 1.4280 1.4280 1.4280 1.4280 4.7492 4.7492 4.7492 4.7492 5.4877 5.4877 5.4877 5.4877 5.7419 5.7419 5.7419 5.7419 6.4688 6.4688 6.4688 6.4688 6.5201 6.5201 6.5201 6.5201 6.9604 6.9604 6.9604 6.9604 7.2156 7.2156 7.2156 7.2156 7.5731 7.5731 7.5731 7.5731 7.7578 7.7578 7.7578 7.7578 8.9938 8.9938 8.9938 8.9938 9.1395 9.1395 9.1395 9.1395 9.2694 9.2694 9.2694 9.2694 9.6221 9.6221 9.6221 9.6221 9.6906 9.6906 9.6906 9.6906 9.9824 9.9824 9.9824 9.9824 10.8195 10.8195 10.8195 10.8195 11.0412 11.0412 11.0412 11.0412 11.2001 11.2001 11.2001 11.2001 11.5117 11.5117 11.5117 11.5117 11.7820 11.7820 k = 0.4872 0.3109 0.7266 ( 13746 PWs) bands (ev): -0.0822 -0.0822 -0.0822 -0.0822 -0.0794 -0.0794 -0.0794 -0.0794 0.2258 0.2258 0.2258 0.2258 1.4278 1.4278 1.4278 1.4278 4.7514 4.7514 4.7514 4.7514 5.4830 5.4830 5.4830 5.4830 5.7417 5.7417 5.7417 5.7417 6.4714 6.4714 6.4714 6.4714 6.5236 6.5236 6.5236 6.5236 6.9593 6.9593 6.9593 6.9593 7.2162 7.2162 7.2162 7.2162 7.5719 7.5719 7.5719 7.5719 7.7566 7.7566 7.7566 7.7566 8.9943 8.9943 8.9943 8.9943 9.1382 9.1382 9.1382 9.1382 9.2710 9.2710 9.2710 9.2710 9.6229 9.6229 9.6229 9.6229 9.6890 9.6890 9.6890 9.6890 9.9793 9.9793 9.9793 9.9793 10.8222 10.8222 10.8222 10.8222 11.0438 11.0438 11.0438 11.0438 11.2013 11.2013 11.2013 11.2013 11.5125 11.5125 11.5125 11.5125 11.7791 11.7791 k = 0.4744 0.3331 0.7266 ( 13746 PWs) bands (ev): -0.0803 -0.0803 -0.0803 -0.0803 -0.0775 -0.0775 -0.0775 -0.0775 0.2216 0.2216 0.2216 0.2216 1.4271 1.4271 1.4271 1.4271 4.7582 4.7582 4.7582 4.7582 5.4692 5.4692 5.4692 5.4692 5.7410 5.7410 5.7410 5.7410 6.4787 6.4787 6.4787 6.4787 6.5343 6.5343 6.5343 6.5343 6.9561 6.9561 6.9561 6.9561 7.2180 7.2180 7.2180 7.2180 7.5683 7.5683 7.5683 7.5683 7.7534 7.7534 7.7534 7.7534 8.9959 8.9959 8.9959 8.9959 9.1345 9.1345 9.1345 9.1345 9.2758 9.2758 9.2758 9.2758 9.6250 9.6250 9.6250 9.6250 9.6841 9.6841 9.6841 9.6841 9.9702 9.9702 9.9702 9.9702 10.8304 10.8304 10.8304 10.8304 11.0514 11.0514 11.0514 11.0514 11.2047 11.2047 11.2047 11.2047 11.5149 11.5149 11.5149 11.5149 11.7707 11.7707 k = 0.4615 0.3553 0.7266 ( 13754 PWs) bands (ev): -0.0771 -0.0771 -0.0771 -0.0771 -0.0743 -0.0743 -0.0743 -0.0743 0.2146 0.2146 0.2146 0.2146 1.4261 1.4261 1.4261 1.4261 4.7693 4.7693 4.7693 4.7693 5.4472 5.4472 5.4472 5.4472 5.7398 5.7398 5.7398 5.7398 6.4895 6.4895 6.4895 6.4895 6.5520 6.5520 6.5520 6.5520 6.9509 6.9509 6.9509 6.9509 7.2210 7.2210 7.2210 7.2210 7.5620 7.5620 7.5620 7.5620 7.7485 7.7485 7.7485 7.7485 8.9984 8.9984 8.9984 8.9984 9.1288 9.1288 9.1288 9.1288 9.2835 9.2835 9.2835 9.2835 9.6283 9.6283 9.6283 9.6283 9.6763 9.6763 9.6763 9.6763 9.9559 9.9559 9.9559 9.9559 10.8435 10.8435 10.8435 10.8435 11.0638 11.0638 11.0638 11.0638 11.2097 11.2097 11.2097 11.2097 11.5187 11.5187 11.5187 11.5187 11.7570 11.7570 k = 0.4487 0.3775 0.7266 ( 13758 PWs) bands (ev): -0.0726 -0.0726 -0.0726 -0.0726 -0.0697 -0.0697 -0.0697 -0.0697 0.2049 0.2049 0.2049 0.2049 1.4247 1.4247 1.4247 1.4247 4.7846 4.7846 4.7846 4.7846 5.4186 5.4186 5.4186 5.4186 5.7382 5.7382 5.7382 5.7382 6.5027 6.5027 6.5027 6.5027 6.5756 6.5756 6.5756 6.5756 6.9442 6.9442 6.9442 6.9442 7.2252 7.2252 7.2252 7.2252 7.5527 7.5527 7.5527 7.5527 7.7424 7.7424 7.7424 7.7424 9.0018 9.0018 9.0018 9.0018 9.1215 9.1215 9.1215 9.1215 9.2935 9.2935 9.2935 9.2935 9.6326 9.6326 9.6326 9.6326 9.6662 9.6662 9.6662 9.6662 9.9373 9.9373 9.9373 9.9373 10.8612 10.8612 10.8612 10.8612 11.0802 11.0802 11.0802 11.0802 11.2154 11.2154 11.2154 11.2154 11.5235 11.5235 11.5235 11.5235 11.7387 11.7387 k = 0.4359 0.3997 0.7266 ( 13764 PWs) bands (ev): -0.0670 -0.0670 -0.0670 -0.0670 -0.0639 -0.0639 -0.0639 -0.0639 0.1927 0.1927 0.1927 0.1927 1.4230 1.4230 1.4230 1.4230 4.8039 4.8039 4.8039 4.8039 5.3847 5.3847 5.3847 5.3847 5.7364 5.7364 5.7364 5.7364 6.5179 6.5179 6.5179 6.5179 6.6032 6.6032 6.6032 6.6032 6.9364 6.9364 6.9364 6.9364 7.2308 7.2308 7.2308 7.2308 7.5402 7.5402 7.5402 7.5402 7.7360 7.7360 7.7360 7.7360 9.0059 9.0059 9.0059 9.0059 9.1129 9.1129 9.1129 9.1129 9.3056 9.3056 9.3056 9.3056 9.6371 9.6371 9.6371 9.6371 9.6546 9.6546 9.6546 9.6546 9.9157 9.9157 9.9157 9.9157 10.8826 10.8826 10.8826 10.8826 11.1000 11.1000 11.1000 11.1000 11.2207 11.2207 11.2207 11.2207 11.5286 11.5286 11.5286 11.5286 11.7169 11.7169 k = 0.4231 0.4219 0.7266 ( 13764 PWs) bands (ev): -0.0602 -0.0602 -0.0602 -0.0602 -0.0569 -0.0569 -0.0569 -0.0569 0.1779 0.1779 0.1779 0.1779 1.4212 1.4212 1.4212 1.4212 4.8269 4.8269 4.8269 4.8269 5.3471 5.3471 5.3471 5.3471 5.7344 5.7344 5.7344 5.7344 6.5346 6.5346 6.5346 6.5346 6.6323 6.6323 6.6323 6.6323 6.9282 6.9282 6.9282 6.9282 7.2378 7.2378 7.2378 7.2378 7.5243 7.5243 7.5243 7.5243 7.7297 7.7297 7.7297 7.7297 9.0105 9.0105 9.0105 9.0105 9.1036 9.1036 9.1036 9.1036 9.3195 9.3195 9.3195 9.3195 9.6368 9.6368 9.6368 9.6368 9.6465 9.6465 9.6465 9.6465 9.8926 9.8926 9.8926 9.8926 10.9072 10.9072 10.9072 10.9072 11.1220 11.1220 11.1220 11.1220 11.2248 11.2248 11.2248 11.2248 11.5323 11.5323 11.5323 11.5323 11.6936 11.6936 k = 0.4103 0.4441 0.7266 ( 13764 PWs) bands (ev): -0.0523 -0.0523 -0.0523 -0.0523 -0.0487 -0.0487 -0.0487 -0.0487 0.1608 0.1608 0.1608 0.1608 1.4192 1.4192 1.4192 1.4192 4.8531 4.8531 4.8531 4.8531 5.3070 5.3070 5.3070 5.3070 5.7325 5.7325 5.7325 5.7325 6.5528 6.5528 6.5528 6.5528 6.6599 6.6599 6.6599 6.6599 6.9208 6.9208 6.9208 6.9208 7.2464 7.2464 7.2464 7.2464 7.5050 7.5050 7.5050 7.5050 7.7241 7.7241 7.7241 7.7241 9.0154 9.0154 9.0154 9.0154 9.0939 9.0939 9.0939 9.0939 9.3347 9.3347 9.3347 9.3347 9.6249 9.6249 9.6249 9.6249 9.6489 9.6489 9.6489 9.6489 9.8695 9.8695 9.8695 9.8695 10.9338 10.9338 10.9338 10.9338 11.1452 11.1452 11.1452 11.1452 11.2273 11.2273 11.2273 11.2273 11.5314 11.5314 11.5314 11.5314 11.6723 11.6723 k = 0.3974 0.4663 0.7266 ( 13760 PWs) bands (ev): -0.0434 -0.0434 -0.0434 -0.0434 -0.0393 -0.0393 -0.0393 -0.0393 0.1416 0.1416 0.1416 0.1416 1.4173 1.4173 1.4173 1.4173 4.8822 4.8822 4.8822 4.8822 5.2656 5.2656 5.2656 5.2656 5.7307 5.7307 5.7307 5.7307 6.5720 6.5720 6.5720 6.5720 6.6830 6.6830 6.6830 6.6830 6.9152 6.9152 6.9152 6.9152 7.2570 7.2570 7.2570 7.2570 7.4827 7.4827 7.4827 7.4827 7.7196 7.7196 7.7196 7.7196 9.0205 9.0205 9.0205 9.0205 9.0841 9.0841 9.0841 9.0841 9.3508 9.3508 9.3508 9.3508 9.6118 9.6118 9.6118 9.6118 9.6511 9.6511 9.6511 9.6511 9.8482 9.8482 9.8482 9.8482 10.9614 10.9614 10.9614 10.9614 11.1679 11.1679 11.1679 11.1679 11.2290 11.2290 11.2290 11.2290 11.5211 11.5211 11.5211 11.5211 11.6582 11.6582 k = 0.3846 0.4885 0.7266 ( 13752 PWs) bands (ev): -0.0335 -0.0335 -0.0335 -0.0335 -0.0288 -0.0288 -0.0288 -0.0288 0.1203 0.1203 0.1203 0.1203 1.4155 1.4155 1.4155 1.4155 4.9137 4.9137 4.9137 4.9137 5.2239 5.2239 5.2239 5.2239 5.7293 5.7293 5.7293 5.7293 6.5918 6.5918 6.5918 6.5918 6.6990 6.6990 6.6990 6.6990 6.9125 6.9125 6.9125 6.9125 7.2699 7.2699 7.2699 7.2699 7.4581 7.4581 7.4581 7.4581 7.7161 7.7161 7.7161 7.7161 9.0257 9.0257 9.0257 9.0257 9.0745 9.0745 9.0745 9.0745 9.3671 9.3671 9.3671 9.3671 9.6000 9.6000 9.6000 9.6000 9.6503 9.6503 9.6503 9.6503 9.8303 9.8303 9.8303 9.8303 10.9885 10.9885 10.9885 10.9885 11.1876 11.1876 11.1876 11.1876 11.2326 11.2326 11.2326 11.2326 11.4986 11.4986 11.4986 11.4986 11.6546 11.6546 k = 0.3718 0.5107 0.7266 ( 13776 PWs) bands (ev): -0.0226 -0.0226 -0.0226 -0.0226 -0.0174 -0.0174 -0.0174 -0.0174 0.0973 0.0973 0.0973 0.0973 1.4139 1.4139 1.4139 1.4139 4.9469 4.9469 4.9469 4.9469 5.1827 5.1827 5.1827 5.1827 5.7282 5.7282 5.7282 5.7282 6.6117 6.6117 6.6117 6.6117 6.7063 6.7063 6.7063 6.7063 6.9132 6.9132 6.9132 6.9132 7.2852 7.2852 7.2852 7.2852 7.4322 7.4322 7.4322 7.4322 7.7136 7.7136 7.7136 7.7136 9.0309 9.0309 9.0309 9.0309 9.0656 9.0656 9.0656 9.0656 9.3826 9.3826 9.3826 9.3826 9.5913 9.5913 9.5913 9.5913 9.6452 9.6452 9.6452 9.6452 9.8172 9.8172 9.8172 9.8172 11.0128 11.0128 11.0128 11.0128 11.2013 11.2013 11.2013 11.2013 11.2419 11.2419 11.2419 11.2419 11.4669 11.4669 11.4669 11.4669 11.6594 11.6594 k = 0.3590 0.5329 0.7266 ( 13770 PWs) bands (ev): -0.0110 -0.0110 -0.0110 -0.0110 -0.0051 -0.0051 -0.0051 -0.0051 0.0727 0.0727 0.0727 0.0727 1.4127 1.4127 1.4127 1.4127 4.9807 4.9807 4.9807 4.9807 5.1433 5.1433 5.1433 5.1433 5.7274 5.7274 5.7274 5.7274 6.6308 6.6308 6.6308 6.6308 6.7053 6.7053 6.7053 6.7053 6.9161 6.9161 6.9161 6.9161 7.3029 7.3029 7.3029 7.3029 7.4062 7.4062 7.4062 7.4062 7.7120 7.7120 7.7120 7.7120 9.0359 9.0359 9.0359 9.0359 9.0575 9.0575 9.0575 9.0575 9.3954 9.3954 9.3954 9.3954 9.5877 9.5877 9.5877 9.5877 9.6353 9.6353 9.6353 9.6353 9.8093 9.8093 9.8093 9.8093 11.0316 11.0316 11.0316 11.0316 11.2118 11.2118 11.2118 11.2118 11.2544 11.2544 11.2544 11.2544 11.4323 11.4323 11.4323 11.4323 11.6687 11.6687 k = 0.3462 0.5551 0.7266 ( 13762 PWs) bands (ev): 0.0015 0.0015 0.0015 0.0015 0.0078 0.0078 0.0078 0.0078 0.0469 0.0469 0.0469 0.0469 1.4119 1.4119 1.4119 1.4119 5.0127 5.0127 5.0127 5.0127 5.1080 5.1080 5.1080 5.1080 5.7271 5.7271 5.7271 5.7271 6.6473 6.6473 6.6473 6.6473 6.6986 6.6986 6.6986 6.6986 6.9191 6.9191 6.9191 6.9191 7.3214 7.3214 7.3214 7.3214 7.3824 7.3824 7.3824 7.3824 7.7111 7.7111 7.7111 7.7111 9.0407 9.0407 9.0407 9.0407 9.0508 9.0508 9.0508 9.0508 9.4039 9.4039 9.4039 9.4039 9.5915 9.5915 9.5915 9.5915 9.6216 9.6216 9.6216 9.6216 9.8058 9.8058 9.8058 9.8058 11.0427 11.0427 11.0427 11.0427 11.2261 11.2261 11.2261 11.2261 11.2600 11.2600 11.2600 11.2600 11.4040 11.4040 11.4040 11.4040 11.6787 11.6790 k = 0.3333 0.5774 0.7266 ( 13758 PWs) bands (ev): 0.0138 0.0138 0.0138 0.0138 0.0158 0.0158 0.0158 0.0158 0.0265 0.0265 0.0265 0.0265 1.4116 1.4116 1.4116 1.4116 5.0306 5.0306 5.0306 5.0306 5.0892 5.0892 5.0892 5.0892 5.7270 5.7270 5.7270 5.7270 6.6555 6.6555 6.6555 6.6555 6.6934 6.6934 6.6934 6.6934 6.9205 6.9205 6.9205 6.9205 7.3325 7.3325 7.3325 7.3325 7.3694 7.3694 7.3694 7.3694 7.7109 7.7109 7.7109 7.7109 9.0442 9.0442 9.0442 9.0442 9.0466 9.0466 9.0466 9.0466 9.4068 9.4068 9.4068 9.4068 9.6013 9.6013 9.6013 9.6013 9.6080 9.6080 9.6080 9.6080 9.8050 9.8050 9.8050 9.8050 11.0460 11.0460 11.0460 11.0460 11.2464 11.2464 11.2464 11.2464 11.2476 11.2476 11.2476 11.2476 11.3932 11.3932 11.3932 11.3932 11.6839 11.6844 k = 0.3333 0.5774 0.7266 ( 13758 PWs) bands (ev): 0.0138 0.0138 0.0138 0.0138 0.0158 0.0158 0.0158 0.0158 0.0265 0.0265 0.0265 0.0265 1.4116 1.4116 1.4116 1.4116 5.0306 5.0306 5.0306 5.0306 5.0892 5.0892 5.0892 5.0892 5.7270 5.7270 5.7270 5.7270 6.6555 6.6555 6.6555 6.6555 6.6934 6.6934 6.6934 6.6934 6.9205 6.9205 6.9205 6.9205 7.3325 7.3325 7.3325 7.3325 7.3694 7.3694 7.3694 7.3694 7.7109 7.7109 7.7109 7.7109 9.0442 9.0442 9.0442 9.0442 9.0466 9.0466 9.0466 9.0466 9.4068 9.4068 9.4068 9.4068 9.6013 9.6013 9.6013 9.6013 9.6080 9.6080 9.6080 9.6080 9.8050 9.8050 9.8050 9.8050 11.0460 11.0460 11.0460 11.0460 11.2464 11.2464 11.2464 11.2464 11.2476 11.2476 11.2476 11.2476 11.3932 11.3932 11.3932 11.3932 11.6840 11.6848 k = 0.3205 0.5551 0.7266 ( 13746 PWs) bands (ev): -0.0102 -0.0102 -0.0102 -0.0102 0.0286 0.0286 0.0286 0.0286 0.0378 0.0378 0.0378 0.0378 1.4119 1.4119 1.4119 1.4119 5.0136 5.0136 5.0136 5.0136 5.1071 5.1071 5.1071 5.1071 5.7270 5.7270 5.7270 5.7270 6.6465 6.6465 6.6465 6.6465 6.6996 6.6996 6.6996 6.6996 6.9188 6.9188 6.9188 6.9188 7.3218 7.3218 7.3218 7.3218 7.3819 7.3819 7.3819 7.3819 7.7111 7.7111 7.7111 7.7111 9.0417 9.0417 9.0417 9.0417 9.0499 9.0499 9.0499 9.0499 9.4043 9.4043 9.4043 9.4043 9.5865 9.5865 9.5865 9.5865 9.6266 9.6266 9.6266 9.6266 9.8053 9.8053 9.8053 9.8053 11.0437 11.0437 11.0437 11.0437 11.2143 11.2143 11.2143 11.2143 11.2737 11.2737 11.2737 11.2737 11.4017 11.4017 11.4017 11.4017 11.6789 11.6789 k = 0.3077 0.5329 0.7266 ( 13754 PWs) bands (ev): -0.0389 -0.0389 -0.0389 -0.0389 0.0429 0.0429 0.0429 0.0429 0.0527 0.0527 0.0527 0.0527 1.4129 1.4129 1.4129 1.4129 4.9846 4.9846 4.9846 4.9846 5.1386 5.1386 5.1386 5.1386 5.7272 5.7272 5.7272 5.7272 6.6269 6.6269 6.6269 6.6269 6.7114 6.7114 6.7114 6.7114 6.9138 6.9138 6.9138 6.9138 7.3052 7.3052 7.3052 7.3052 7.4043 7.4043 7.4043 7.4043 7.7117 7.7117 7.7117 7.7117 9.0400 9.0400 9.0400 9.0400 9.0538 9.0538 9.0538 9.0538 9.3979 9.3979 9.3979 9.3979 9.5686 9.5686 9.5686 9.5686 9.6558 9.6558 9.6558 9.6558 9.8055 9.8055 9.8055 9.8055 11.0382 11.0382 11.0382 11.0382 11.1715 11.1715 11.1715 11.1715 11.3043 11.3043 11.3043 11.3043 11.4209 11.4209 11.4209 11.4209 11.6693 11.6693 k = 0.2949 0.5107 0.7266 ( 13760 PWs) bands (ev): -0.0683 -0.0683 -0.0683 -0.0683 0.0577 0.0577 0.0577 0.0577 0.0681 0.0681 0.0681 0.0681 1.4147 1.4147 1.4147 1.4147 4.9554 4.9554 4.9554 4.9554 5.1713 5.1713 5.1713 5.1713 5.7275 5.7275 5.7275 5.7275 6.6028 6.6028 6.6028 6.6028 6.7228 6.7228 6.7228 6.7228 6.9055 6.9055 6.9055 6.9055 7.2910 7.2910 7.2910 7.2910 7.4279 7.4279 7.4279 7.4279 7.7125 7.7125 7.7125 7.7125 9.0400 9.0400 9.0400 9.0400 9.0574 9.0574 9.0574 9.0574 9.3894 9.3894 9.3894 9.3894 9.5509 9.5509 9.5509 9.5509 9.6911 9.6911 9.6911 9.6911 9.8049 9.8049 9.8049 9.8049 11.0311 11.0311 11.0311 11.0311 11.1259 11.1259 11.1259 11.1259 11.3369 11.3369 11.3369 11.3369 11.4449 11.4449 11.4449 11.4449 11.6584 11.6584 k = 0.2821 0.4885 0.7266 ( 13760 PWs) bands (ev): -0.0981 -0.0981 -0.0981 -0.0981 0.0728 0.0728 0.0728 0.0728 0.0838 0.0838 0.0838 0.0838 1.4172 1.4172 1.4172 1.4172 4.9283 4.9283 4.9283 4.9283 5.2025 5.2025 5.2025 5.2025 5.7281 5.7281 5.7281 5.7281 6.5760 6.5760 6.5760 6.5760 6.7321 6.7321 6.7321 6.7321 6.8943 6.8943 6.8943 6.8943 7.2812 7.2812 7.2812 7.2812 7.4509 7.4509 7.4509 7.4509 7.7136 7.7136 7.7136 7.7136 9.0416 9.0416 9.0416 9.0416 9.0607 9.0607 9.0607 9.0607 9.3799 9.3799 9.3799 9.3799 9.5341 9.5341 9.5341 9.5341 9.7308 9.7308 9.7308 9.7308 9.8033 9.8033 9.8033 9.8033 11.0211 11.0211 11.0211 11.0211 11.0833 11.0833 11.0833 11.0833 11.3704 11.3704 11.3704 11.3704 11.4712 11.4712 11.4712 11.4712 11.6470 11.6470 k = 0.2692 0.4663 0.7266 ( 13784 PWs) bands (ev): -0.1281 -0.1281 -0.1281 -0.1281 0.0882 0.0882 0.0882 0.0882 0.0998 0.0998 0.0998 0.0998 1.4206 1.4206 1.4206 1.4206 4.9039 4.9039 4.9039 4.9039 5.2307 5.2307 5.2307 5.2307 5.7292 5.7292 5.7292 5.7292 6.5471 6.5471 6.5471 6.5471 6.7384 6.7384 6.7384 6.7384 6.8809 6.8809 6.8809 6.8809 7.2764 7.2764 7.2764 7.2764 7.4724 7.4724 7.4724 7.4724 7.7148 7.7148 7.7148 7.7148 9.0443 9.0443 9.0443 9.0443 9.0636 9.0636 9.0636 9.0636 9.3706 9.3706 9.3706 9.3706 9.5182 9.5182 9.5182 9.5182 9.7706 9.7706 9.7706 9.7706 9.8038 9.8038 9.8038 9.8038 11.0008 11.0008 11.0008 11.0008 11.0539 11.0539 11.0539 11.0539 11.4039 11.4039 11.4039 11.4039 11.4986 11.4986 11.4986 11.4986 11.6355 11.6355 k = 0.2564 0.4441 0.7266 ( 13772 PWs) bands (ev): -0.1579 -0.1579 -0.1579 -0.1579 0.1037 0.1037 0.1037 0.1037 0.1157 0.1157 0.1157 0.1157 1.4249 1.4249 1.4249 1.4249 4.8824 4.8824 4.8824 4.8824 5.2547 5.2547 5.2547 5.2547 5.7316 5.7316 5.7316 5.7316 6.5166 6.5166 6.5166 6.5166 6.7410 6.7410 6.7410 6.7410 6.8664 6.8664 6.8664 6.8664 7.2771 7.2771 7.2771 7.2771 7.4919 7.4919 7.4919 7.4919 7.7162 7.7162 7.7162 7.7162 9.0478 9.0478 9.0478 9.0478 9.0663 9.0663 9.0663 9.0663 9.3621 9.3621 9.3621 9.3621 9.5036 9.5036 9.5036 9.5036 9.7846 9.7846 9.7846 9.7846 9.8313 9.8313 9.8313 9.8313 10.9663 10.9663 10.9663 10.9663 11.0430 11.0430 11.0430 11.0430 11.4367 11.4367 11.4367 11.4367 11.5264 11.5264 11.5265 11.5265 11.6245 11.6245 k = 0.2436 0.4219 0.7266 ( 13776 PWs) bands (ev): -0.1875 -0.1875 -0.1875 -0.1875 0.1192 0.1192 0.1192 0.1192 0.1316 0.1316 0.1316 0.1316 1.4301 1.4301 1.4301 1.4301 4.8642 4.8642 4.8642 4.8642 5.2732 5.2732 5.2732 5.2732 5.7360 5.7360 5.7360 5.7360 6.4845 6.4845 6.4845 6.4845 6.7390 6.7390 6.7390 6.7390 6.8524 6.8524 6.8524 6.8524 7.2830 7.2830 7.2830 7.2830 7.5094 7.5094 7.5094 7.5094 7.7177 7.7177 7.7177 7.7177 9.0515 9.0515 9.0515 9.0515 9.0686 9.0686 9.0686 9.0686 9.3551 9.3551 9.3551 9.3551 9.4902 9.4902 9.4902 9.4902 9.7791 9.7791 9.7791 9.7791 9.8788 9.8788 9.8788 9.8788 10.9283 10.9283 10.9283 10.9283 11.0413 11.0413 11.0413 11.0413 11.4668 11.4668 11.4668 11.4668 11.5538 11.5538 11.5538 11.5538 11.6156 11.6156 k = 0.2308 0.3997 0.7266 ( 13770 PWs) bands (ev): -0.2166 -0.2166 -0.2166 -0.2166 0.1347 0.1347 0.1347 0.1347 0.1473 0.1473 0.1473 0.1473 1.4362 1.4362 1.4362 1.4362 4.8492 4.8492 4.8492 4.8492 5.2853 5.2853 5.2853 5.2853 5.7436 5.7436 5.7436 5.7436 6.4508 6.4508 6.4508 6.4508 6.7311 6.7311 6.7311 6.7311 6.8404 6.8404 6.8404 6.8404 7.2939 7.2939 7.2939 7.2939 7.5247 7.5247 7.5247 7.5247 7.7193 7.7193 7.7193 7.7193 9.0547 9.0547 9.0547 9.0547 9.0707 9.0707 9.0707 9.0707 9.3500 9.3500 9.3500 9.3500 9.4782 9.4782 9.4782 9.4782 9.7700 9.7700 9.7700 9.7700 9.9294 9.9294 9.9294 9.9294 10.8929 10.8929 10.8929 10.8929 11.0440 11.0440 11.0440 11.0440 11.4904 11.4904 11.4904 11.4904 11.5784 11.5784 11.5784 11.5784 11.6136 11.6136 k = 0.2179 0.3775 0.7266 ( 13762 PWs) bands (ev): -0.2450 -0.2450 -0.2450 -0.2450 0.1500 0.1500 0.1500 0.1500 0.1626 0.1626 0.1626 0.1626 1.4431 1.4431 1.4431 1.4431 4.8376 4.8376 4.8376 4.8376 5.2900 5.2900 5.2900 5.2900 5.7553 5.7553 5.7553 5.7553 6.4156 6.4156 6.4156 6.4156 6.7171 6.7171 6.7171 6.7171 6.8316 6.8316 6.8316 6.8316 7.3095 7.3095 7.3095 7.3095 7.5379 7.5379 7.5379 7.5379 7.7212 7.7212 7.7212 7.7212 9.0568 9.0568 9.0568 9.0568 9.0724 9.0724 9.0724 9.0724 9.3471 9.3471 9.3471 9.3471 9.4676 9.4676 9.4676 9.4676 9.7591 9.7591 9.7591 9.7591 9.9802 9.9802 9.9802 9.9802 10.8629 10.8629 10.8629 10.8629 11.0498 11.0498 11.0498 11.0498 11.5010 11.5010 11.5010 11.5010 11.5956 11.5956 11.5956 11.5957 11.6278 11.6278 k = 0.2051 0.3553 0.7266 ( 13758 PWs) bands (ev): -0.2726 -0.2726 -0.2726 -0.2726 0.1650 0.1650 0.1650 0.1650 0.1775 0.1775 0.1775 0.1775 1.4509 1.4509 1.4509 1.4509 4.8293 4.8293 4.8293 4.8293 5.2871 5.2871 5.2871 5.2871 5.7715 5.7715 5.7715 5.7715 6.3789 6.3789 6.3789 6.3789 6.6976 6.6976 6.6976 6.6976 6.8254 6.8254 6.8254 6.8254 7.3291 7.3291 7.3291 7.3291 7.5491 7.5491 7.5491 7.5491 7.7234 7.7234 7.7234 7.7234 9.0577 9.0577 9.0577 9.0577 9.0736 9.0736 9.0736 9.0736 9.3467 9.3467 9.3467 9.3467 9.4585 9.4585 9.4585 9.4585 9.7470 9.7470 9.7470 9.7470 10.0293 10.0293 10.0293 10.0293 10.8402 10.8402 10.8402 10.8402 11.0583 11.0583 11.0583 11.0583 11.4959 11.4959 11.4959 11.4959 11.6076 11.6076 11.6076 11.6076 11.6567 11.6567 k = 0.1923 0.3331 0.7266 ( 13760 PWs) bands (ev): -0.2993 -0.2993 -0.2993 -0.2993 0.1796 0.1796 0.1796 0.1796 0.1918 0.1918 0.1918 0.1918 1.4593 1.4593 1.4593 1.4593 4.8244 4.8244 4.8244 4.8244 5.2771 5.2771 5.2771 5.2771 5.7924 5.7924 5.7924 5.7924 6.3405 6.3405 6.3405 6.3405 6.6746 6.6746 6.6746 6.6746 6.8205 6.8205 6.8205 6.8205 7.3521 7.3521 7.3521 7.3521 7.5585 7.5585 7.5585 7.5585 7.7261 7.7261 7.7261 7.7261 9.0571 9.0571 9.0571 9.0571 9.0742 9.0742 9.0742 9.0742 9.3487 9.3487 9.3487 9.3487 9.4509 9.4509 9.4509 9.4509 9.7341 9.7341 9.7341 9.7341 10.0745 10.0745 10.0745 10.0745 10.8269 10.8269 10.8269 10.8269 11.0695 11.0695 11.0695 11.0695 11.4800 11.4800 11.4800 11.4800 11.6161 11.6161 11.6161 11.6161 11.6929 11.6929 k = 0.1795 0.3109 0.7266 ( 13754 PWs) bands (ev): -0.3249 -0.3249 -0.3249 -0.3249 0.1938 0.1938 0.1938 0.1938 0.2055 0.2055 0.2055 0.2055 1.4685 1.4685 1.4685 1.4685 4.8228 4.8228 4.8228 4.8228 5.2609 5.2609 5.2609 5.2609 5.8175 5.8175 5.8175 5.8175 6.3007 6.3007 6.3007 6.3007 6.6496 6.6496 6.6496 6.6496 6.8155 6.8155 6.8155 6.8155 7.3777 7.3777 7.3777 7.3777 7.5664 7.5664 7.5664 7.5664 7.7296 7.7296 7.7296 7.7296 9.0552 9.0552 9.0552 9.0552 9.0738 9.0738 9.0738 9.0738 9.3530 9.3530 9.3530 9.3530 9.4450 9.4450 9.4450 9.4450 9.7207 9.7207 9.7207 9.7207 10.1135 10.1135 10.1135 10.1135 10.8249 10.8249 10.8249 10.8249 11.0833 11.0833 11.0833 11.0833 11.4578 11.4578 11.4578 11.4578 11.6209 11.6209 11.6209 11.6209 11.7333 11.7333 k = 0.1667 0.2887 0.7266 ( 13750 PWs) bands (ev): -0.3493 -0.3493 -0.3493 -0.3493 0.2074 0.2074 0.2074 0.2074 0.2185 0.2185 0.2185 0.2185 1.4782 1.4782 1.4782 1.4782 4.8244 4.8244 4.8244 4.8244 5.2398 5.2398 5.2398 5.2398 5.8462 5.8462 5.8462 5.8462 6.2597 6.2597 6.2597 6.2597 6.6241 6.6241 6.6241 6.6241 6.8092 6.8092 6.8092 6.8092 7.4049 7.4049 7.4049 7.4049 7.5728 7.5728 7.5728 7.5728 7.7340 7.7340 7.7340 7.7340 9.0522 9.0522 9.0522 9.0522 9.0723 9.0723 9.0723 9.0723 9.3592 9.3592 9.3592 9.3592 9.4406 9.4406 9.4406 9.4406 9.7072 9.7072 9.7072 9.7072 10.1445 10.1445 10.1445 10.1445 10.8357 10.8357 10.8357 10.8357 11.0998 11.0998 11.0998 11.0998 11.4320 11.4320 11.4320 11.4320 11.6231 11.6231 11.6231 11.6231 11.7753 11.7754 k = 0.1538 0.2665 0.7266 ( 13734 PWs) bands (ev): -0.3723 -0.3723 -0.3723 -0.3723 0.2203 0.2203 0.2203 0.2203 0.2307 0.2307 0.2307 0.2307 1.4883 1.4883 1.4883 1.4883 4.8290 4.8290 4.8290 4.8290 5.2150 5.2150 5.2150 5.2150 5.8774 5.8774 5.8774 5.8774 6.2178 6.2178 6.2178 6.2178 6.5990 6.5990 6.5990 6.5990 6.8009 6.8009 6.8009 6.8009 7.4329 7.4329 7.4329 7.4329 7.5781 7.5781 7.5781 7.5781 7.7399 7.7399 7.7399 7.7399 9.0482 9.0482 9.0482 9.0482 9.0700 9.0700 9.0700 9.0700 9.3670 9.3670 9.3670 9.3670 9.4377 9.4377 9.4377 9.4377 9.6937 9.6937 9.6937 9.6937 10.1663 10.1663 10.1663 10.1663 10.8601 10.8601 10.8601 10.8601 11.1190 11.1190 11.1190 11.1190 11.4040 11.4040 11.4040 11.4040 11.6243 11.6243 11.6243 11.6243 11.8173 11.8174 k = 0.1410 0.2443 0.7266 ( 13724 PWs) bands (ev): -0.3938 -0.3938 -0.3938 -0.3938 0.2325 0.2325 0.2325 0.2325 0.2421 0.2421 0.2421 0.2421 1.4987 1.4987 1.4987 1.4987 4.8364 4.8364 4.8364 4.8364 5.1880 5.1880 5.1880 5.1880 5.9100 5.9100 5.9100 5.9100 6.1758 6.1758 6.1758 6.1758 6.5751 6.5751 6.5751 6.5751 6.7901 6.7901 6.7901 6.7901 7.4605 7.4605 7.4605 7.4605 7.5823 7.5823 7.5823 7.5823 7.7475 7.7475 7.7475 7.7475 9.0435 9.0435 9.0435 9.0435 9.0668 9.0668 9.0668 9.0668 9.3760 9.3760 9.3760 9.3760 9.4361 9.4361 9.4361 9.4361 9.6806 9.6806 9.6806 9.6806 10.1791 10.1791 10.1791 10.1791 10.8973 10.8973 10.8973 10.8973 11.1406 11.1406 11.1406 11.1406 11.3750 11.3750 11.3750 11.3750 11.6255 11.6255 11.6255 11.6255 11.8570 11.8571 k = 0.1282 0.2221 0.7266 ( 13722 PWs) bands (ev): -0.4138 -0.4138 -0.4138 -0.4138 0.2438 0.2438 0.2438 0.2438 0.2525 0.2525 0.2525 0.2525 1.5091 1.5091 1.5091 1.5091 4.8464 4.8464 4.8464 4.8464 5.1598 5.1598 5.1598 5.1598 5.9421 5.9421 5.9421 5.9421 6.1356 6.1356 6.1356 6.1356 6.5528 6.5528 6.5528 6.5528 6.7764 6.7764 6.7764 6.7764 7.4866 7.4866 7.4866 7.4866 7.5858 7.5858 7.5858 7.5858 7.7572 7.7572 7.7572 7.7572 9.0383 9.0383 9.0383 9.0383 9.0630 9.0630 9.0630 9.0630 9.3856 9.3856 9.3856 9.3856 9.4359 9.4359 9.4359 9.4359 9.6681 9.6681 9.6681 9.6681 10.1840 10.1840 10.1840 10.1840 10.9455 10.9455 10.9455 10.9455 11.1642 11.1642 11.1642 11.1642 11.3464 11.3464 11.3464 11.3464 11.6273 11.6273 11.6273 11.6273 11.8935 11.8935 k = 0.1154 0.1999 0.7266 ( 13730 PWs) bands (ev): -0.4322 -0.4322 -0.4322 -0.4322 0.2543 0.2543 0.2543 0.2543 0.2621 0.2621 0.2621 0.2621 1.5194 1.5194 1.5194 1.5194 4.8585 4.8585 4.8585 4.8585 5.1316 5.1316 5.1316 5.1316 5.9690 5.9690 5.9690 5.9690 6.1018 6.1018 6.1018 6.1018 6.5327 6.5327 6.5327 6.5327 6.7597 6.7597 6.7597 6.7597 7.5100 7.5100 7.5100 7.5100 7.5888 7.5888 7.5888 7.5888 7.7694 7.7694 7.7694 7.7694 9.0328 9.0328 9.0328 9.0328 9.0588 9.0588 9.0588 9.0588 9.3955 9.3955 9.3955 9.3955 9.4366 9.4366 9.4366 9.4366 9.6563 9.6563 9.6563 9.6563 10.1829 10.1829 10.1829 10.1829 11.0021 11.0021 11.0021 11.0021 11.1883 11.1883 11.1883 11.1883 11.3203 11.3203 11.3203 11.3203 11.6303 11.6303 11.6303 11.6303 11.9255 11.9256 k = 0.1026 0.1776 0.7266 ( 13726 PWs) bands (ev): -0.4488 -0.4488 -0.4488 -0.4488 0.2638 0.2638 0.2638 0.2638 0.2707 0.2707 0.2707 0.2707 1.5294 1.5294 1.5294 1.5294 4.8722 4.8722 4.8722 4.8722 5.1044 5.1044 5.1044 5.1044 5.9780 5.9780 5.9780 5.9780 6.0872 6.0872 6.0872 6.0872 6.5151 6.5151 6.5151 6.5151 6.7401 6.7401 6.7401 6.7401 7.5299 7.5299 7.5299 7.5299 7.5915 7.5915 7.5915 7.5915 7.7838 7.7838 7.7838 7.7838 9.0272 9.0272 9.0272 9.0272 9.0544 9.0544 9.0544 9.0544 9.4054 9.4054 9.4054 9.4054 9.4381 9.4381 9.4381 9.4381 9.6455 9.6455 9.6455 9.6455 10.1778 10.1778 10.1778 10.1778 11.0640 11.0640 11.0640 11.0640 11.2089 11.2089 11.2089 11.2089 11.3014 11.3014 11.3014 11.3014 11.6347 11.6347 11.6347 11.6347 11.9438 11.9438 k = 0.0897 0.1554 0.7266 ( 13710 PWs) bands (ev): -0.4636 -0.4636 -0.4636 -0.4636 0.2722 0.2722 0.2722 0.2722 0.2784 0.2784 0.2784 0.2784 1.5389 1.5389 1.5389 1.5389 4.8868 4.8868 4.8868 4.8868 5.0790 5.0790 5.0790 5.0790 5.9598 5.9598 5.9598 5.9598 6.1012 6.1012 6.1012 6.1012 6.5003 6.5003 6.5003 6.5003 6.7175 6.7175 6.7175 6.7175 7.5458 7.5458 7.5458 7.5458 7.5941 7.5941 7.5941 7.5941 7.8000 7.8000 7.8000 7.8000 9.0218 9.0218 9.0218 9.0218 9.0500 9.0500 9.0500 9.0500 9.4149 9.4149 9.4149 9.4149 9.4402 9.4402 9.4402 9.4402 9.6357 9.6357 9.6357 9.6357 10.1702 10.1702 10.1702 10.1702 11.1272 11.1272 11.1272 11.1272 11.2170 11.2170 11.2170 11.2170 11.3004 11.3004 11.3004 11.3004 11.6410 11.6410 11.6410 11.6410 11.9291 11.9291 k = 0.0769 0.1332 0.7266 ( 13718 PWs) bands (ev): -0.4766 -0.4766 -0.4766 -0.4766 0.2796 0.2796 0.2796 0.2796 0.2851 0.2851 0.2851 0.2851 1.5476 1.5476 1.5476 1.5476 4.9016 4.9016 4.9016 4.9016 5.0564 5.0564 5.0564 5.0564 5.9284 5.9284 5.9284 5.9284 6.1300 6.1300 6.1300 6.1300 6.4886 6.4886 6.4886 6.4886 6.6924 6.6924 6.6924 6.6924 7.5577 7.5577 7.5577 7.5577 7.5969 7.5969 7.5969 7.5969 7.8173 7.8173 7.8173 7.8173 9.0166 9.0166 9.0166 9.0166 9.0457 9.0457 9.0457 9.0457 9.4239 9.4239 9.4239 9.4239 9.4426 9.4426 9.4426 9.4426 9.6271 9.6271 9.6271 9.6271 10.1615 10.1615 10.1615 10.1615 11.1776 11.1776 11.1776 11.1776 11.2209 11.2209 11.2209 11.2209 11.3205 11.3205 11.3205 11.3205 11.6499 11.6499 11.6499 11.6499 11.9039 11.9039 k = 0.0641 0.1110 0.7266 ( 13714 PWs) bands (ev): -0.4877 -0.4877 -0.4877 -0.4877 0.2858 0.2858 0.2858 0.2858 0.2908 0.2908 0.2908 0.2908 1.5554 1.5554 1.5554 1.5554 4.9155 4.9155 4.9155 4.9155 5.0374 5.0374 5.0374 5.0374 5.8951 5.8951 5.8951 5.8951 6.1623 6.1623 6.1623 6.1623 6.4807 6.4807 6.4807 6.4807 6.6652 6.6652 6.6652 6.6652 7.5658 7.5658 7.5658 7.5658 7.6000 7.6000 7.6000 7.6000 7.8345 7.8345 7.8345 7.8345 9.0120 9.0120 9.0120 9.0120 9.0418 9.0418 9.0418 9.0418 9.4319 9.4319 9.4319 9.4319 9.4451 9.4451 9.4451 9.4451 9.6197 9.6197 9.6197 9.6197 10.1527 10.1527 10.1527 10.1527 11.1770 11.1770 11.1770 11.1770 11.2662 11.2662 11.2662 11.2662 11.3509 11.3509 11.3509 11.3509 11.6624 11.6624 11.6624 11.6624 11.8790 11.8790 k = 0.0513 0.0888 0.7266 ( 13700 PWs) bands (ev): -0.4968 -0.4968 -0.4968 -0.4968 0.2909 0.2909 0.2909 0.2909 0.2955 0.2955 0.2955 0.2955 1.5621 1.5621 1.5621 1.5621 4.9270 4.9270 4.9270 4.9270 5.0230 5.0230 5.0230 5.0230 5.8644 5.8644 5.8644 5.8644 6.1937 6.1937 6.1937 6.1937 6.4771 6.4771 6.4771 6.4771 6.6362 6.6362 6.6362 6.6362 7.5711 7.5711 7.5711 7.5711 7.6031 7.6031 7.6031 7.6031 7.8504 7.8504 7.8504 7.8504 9.0079 9.0079 9.0079 9.0079 9.0384 9.0384 9.0384 9.0384 9.4389 9.4389 9.4389 9.4389 9.4476 9.4476 9.4476 9.4476 9.6135 9.6135 9.6135 9.6135 10.1446 10.1446 10.1446 10.1446 11.1621 11.1621 11.1621 11.1621 11.3188 11.3188 11.3188 11.3188 11.3848 11.3848 11.3848 11.3848 11.6801 11.6801 11.6801 11.6801 11.8563 11.8563 k = 0.0385 0.0666 0.7266 ( 13700 PWs) bands (ev): -0.5039 -0.5039 -0.5039 -0.5039 0.2948 0.2948 0.2948 0.2948 0.2993 0.2993 0.2993 0.2993 1.5674 1.5674 1.5674 1.5674 4.9349 4.9349 4.9349 4.9349 5.0139 5.0139 5.0139 5.0139 5.8383 5.8383 5.8383 5.8383 6.2214 6.2214 6.2214 6.2214 6.4788 6.4788 6.4788 6.4788 6.6064 6.6064 6.6064 6.6064 7.5742 7.5742 7.5742 7.5742 7.6058 7.6058 7.6058 7.6058 7.8639 7.8639 7.8639 7.8639 9.0046 9.0046 9.0046 9.0046 9.0357 9.0357 9.0357 9.0357 9.4445 9.4445 9.4445 9.4445 9.4497 9.4497 9.4497 9.4497 9.6086 9.6086 9.6086 9.6086 10.1377 10.1377 10.1377 10.1377 11.1481 11.1481 11.1481 11.1481 11.3626 11.3626 11.3626 11.3626 11.4179 11.4179 11.4179 11.4179 11.7050 11.7050 11.7050 11.7050 11.8368 11.8368 k = 0.0256 0.0444 0.7266 ( 13708 PWs) bands (ev): -0.5090 -0.5090 -0.5090 -0.5090 0.2976 0.2976 0.2976 0.2976 0.3020 0.3020 0.3020 0.3020 1.5713 1.5713 1.5713 1.5713 4.9389 4.9389 4.9389 4.9389 5.0098 5.0098 5.0098 5.0098 5.8185 5.8185 5.8185 5.8185 6.2431 6.2431 6.2431 6.2431 6.4866 6.4866 6.4866 6.4866 6.5768 6.5768 6.5768 6.5768 7.5760 7.5760 7.5760 7.5760 7.6079 7.6079 7.6079 7.6079 7.8743 7.8743 7.8743 7.8743 9.0021 9.0021 9.0021 9.0021 9.0337 9.0337 9.0337 9.0337 9.4487 9.4487 9.4487 9.4487 9.4513 9.4513 9.4513 9.4513 9.6051 9.6051 9.6051 9.6051 10.1325 10.1325 10.1325 10.1325 11.1372 11.1372 11.1372 11.1372 11.3949 11.3949 11.3949 11.3949 11.4453 11.4453 11.4453 11.4453 11.7381 11.7381 11.7381 11.7381 11.8214 11.8214 k = 0.0128 0.0222 0.7266 ( 13724 PWs) bands (ev): -0.5121 -0.5121 -0.5121 -0.5121 0.2993 0.2993 0.2993 0.2993 0.3037 0.3037 0.3037 0.3037 1.5737 1.5737 1.5737 1.5737 4.9400 4.9400 4.9400 4.9400 5.0089 5.0089 5.0089 5.0089 5.8061 5.8061 5.8061 5.8061 6.2570 6.2570 6.2570 6.2570 6.5007 6.5007 6.5007 6.5007 6.5487 6.5487 6.5487 6.5487 7.5770 7.5770 7.5770 7.5770 7.6092 7.6092 7.6092 7.6092 7.8807 7.8807 7.8807 7.8807 9.0006 9.0006 9.0006 9.0006 9.0324 9.0324 9.0324 9.0324 9.4513 9.4513 9.4513 9.4513 9.4523 9.4523 9.4523 9.4523 9.6030 9.6030 9.6030 9.6030 10.1293 10.1293 10.1293 10.1293 11.1305 11.1305 11.1305 11.1305 11.4150 11.4150 11.4150 11.4150 11.4626 11.4626 11.4626 11.4626 11.7752 11.7752 11.7752 11.7752 11.8114 11.8114 k = 0.0000 0.0000 0.7266 ( 13704 PWs) bands (ev): -0.5131 -0.5131 -0.5131 -0.5131 0.2998 0.2998 0.2998 0.2998 0.3042 0.3042 0.3042 0.3042 1.5746 1.5746 1.5746 1.5746 4.9402 4.9402 4.9402 4.9402 5.0089 5.0089 5.0089 5.0089 5.8019 5.8019 5.8019 5.8019 6.2617 6.2617 6.2617 6.2617 6.5160 6.5160 6.5160 6.5160 6.5286 6.5286 6.5286 6.5286 7.5773 7.5773 7.5773 7.5773 7.6097 7.6097 7.6097 7.6097 7.8829 7.8829 7.8829 7.8829 9.0001 9.0001 9.0001 9.0001 9.0320 9.0320 9.0320 9.0320 9.4523 9.4523 9.4523 9.4523 9.4526 9.4526 9.4526 9.4526 9.6023 9.6023 9.6023 9.6023 10.1282 10.1282 10.1282 10.1282 11.1282 11.1282 11.1282 11.1282 11.4219 11.4219 11.4219 11.4219 11.4684 11.4684 11.4684 11.4684 11.7963 11.7963 11.7964 11.7967 11.8085 11.8085 k = 0.5000 0.2887 0.7266 ( 13748 PWs) bands (ev): -0.0829 -0.0829 -0.0829 -0.0829 -0.0801 -0.0801 -0.0801 -0.0801 0.2272 0.2272 0.2272 0.2272 1.4280 1.4280 1.4280 1.4280 4.7492 4.7492 4.7492 4.7492 5.4877 5.4877 5.4877 5.4877 5.7419 5.7419 5.7419 5.7419 6.4688 6.4688 6.4688 6.4688 6.5201 6.5201 6.5201 6.5201 6.9604 6.9604 6.9604 6.9604 7.2156 7.2156 7.2156 7.2156 7.5731 7.5731 7.5731 7.5731 7.7578 7.7578 7.7578 7.7578 8.9938 8.9938 8.9938 8.9938 9.1395 9.1395 9.1395 9.1395 9.2694 9.2694 9.2694 9.2694 9.6221 9.6221 9.6221 9.6221 9.6906 9.6906 9.6906 9.6906 9.9824 9.9824 9.9824 9.9824 10.8195 10.8195 10.8195 10.8195 11.0412 11.0412 11.0412 11.0412 11.2001 11.2001 11.2001 11.2001 11.5117 11.5117 11.5117 11.5117 11.7820 11.7820 k = 0.5000 0.2887 0.7007 ( 13754 PWs) bands (ev): -0.1369 -0.1369 -0.1212 -0.1212 -0.0449 -0.0449 -0.0259 -0.0259 0.2130 0.2130 0.2425 0.2425 1.3977 1.3977 1.4601 1.4601 4.7309 4.7309 4.7683 4.7683 5.4455 5.4455 5.5290 5.5290 5.7072 5.7072 5.7796 5.7796 6.4594 6.4594 6.4689 6.4689 6.5204 6.5204 6.5322 6.5322 6.9485 6.9485 6.9739 6.9739 7.1856 7.1856 7.2488 7.2488 7.5320 7.5320 7.6101 7.6101 7.7255 7.7255 7.7889 7.7889 8.9743 8.9743 9.0160 9.0160 9.1217 9.1217 9.1333 9.1333 9.2685 9.2685 9.2895 9.2895 9.5464 9.5464 9.6626 9.6626 9.6801 9.6801 9.7198 9.7198 9.9674 9.9674 10.0181 10.0181 10.7456 10.7456 10.8839 10.8839 10.9685 10.9685 11.1045 11.1045 11.1746 11.1746 11.2299 11.2299 11.4403 11.4403 11.5839 11.5839 11.7271 11.7271 k = 0.5000 0.2887 0.6747 ( 13752 PWs) bands (ev): -0.1917 -0.1917 -0.1629 -0.1629 -0.0137 -0.0137 0.0297 0.0297 0.2023 0.2023 0.2576 0.2576 1.3695 1.3695 1.4940 1.4940 4.7140 4.7140 4.7876 4.7876 5.4031 5.4031 5.5686 5.5686 5.6759 5.6759 5.8195 5.8195 6.4451 6.4451 6.4627 6.4627 6.5312 6.5312 6.5512 6.5512 6.9383 6.9383 6.9885 6.9885 7.1602 7.1602 7.2841 7.2841 7.4893 7.4893 7.6367 7.6367 7.6983 7.6983 7.8171 7.8171 8.9572 8.9572 9.0407 9.0407 9.0906 9.0906 9.1055 9.1055 9.2863 9.2863 9.3167 9.3167 9.4637 9.4637 9.6363 9.6363 9.7036 9.7036 9.7521 9.7521 9.9877 9.9877 10.0638 10.0638 10.6684 10.6684 10.8748 10.8748 10.9518 10.9518 11.1184 11.1184 11.1843 11.1843 11.2560 11.2560 11.3846 11.3846 11.6474 11.6474 11.6831 11.6831 k = 0.5000 0.2887 0.6488 ( 13750 PWs) bands (ev): -0.2458 -0.2458 -0.2056 -0.2056 0.0085 0.0085 0.0852 0.0852 0.1985 0.1985 0.2717 0.2717 1.3435 1.3435 1.5294 1.5294 4.6992 4.6992 4.8065 4.8065 5.3612 5.3612 5.6058 5.6058 5.6483 5.6483 5.8609 5.8609 6.4281 6.4281 6.4564 6.4564 6.5467 6.5467 6.5742 6.5742 6.9298 6.9298 7.0030 7.0030 7.1414 7.1414 7.3193 7.3193 7.4478 7.4478 7.6311 7.6311 7.6977 7.6977 7.8411 7.8411 8.9423 8.9423 9.0508 9.0508 9.0680 9.0680 9.0697 9.0697 9.3111 9.3111 9.3432 9.3432 9.3795 9.3795 9.6105 9.6105 9.6963 9.6963 9.7869 9.7869 10.0412 10.0412 10.1142 10.1142 10.5899 10.5899 10.8013 10.8013 10.9616 10.9616 11.1251 11.1251 11.1751 11.1751 11.2750 11.2750 11.3785 11.3785 11.6341 11.6341 11.7213 11.7213 k = 0.5000 0.2887 0.6228 ( 13742 PWs) bands (ev): -0.2992 -0.2992 -0.2488 -0.2488 0.0180 0.0180 0.1403 0.1403 0.2054 0.2054 0.2841 0.2841 1.3197 1.3197 1.5661 1.5661 4.6869 4.6869 4.8246 4.8246 5.3204 5.3204 5.6246 5.6246 5.6400 5.6400 5.9028 5.9028 6.4093 6.4093 6.4528 6.4528 6.5642 6.5642 6.6001 6.6001 6.9231 6.9231 7.0146 7.0146 7.1325 7.1325 7.3463 7.3463 7.4164 7.4164 7.6006 7.6006 7.7163 7.7163 7.8597 7.8597 8.9293 8.9293 9.0047 9.0047 9.0335 9.0335 9.0965 9.0965 9.2964 9.2964 9.3364 9.3364 9.3663 9.3663 9.5859 9.5859 9.6747 9.6747 9.8245 9.8245 10.1101 10.1101 10.1665 10.1665 10.5109 10.5109 10.7268 10.7268 10.9326 10.9326 11.1008 11.1008 11.1798 11.1798 11.2870 11.2870 11.4062 11.4062 11.6210 11.6210 11.7752 11.7752 k = 0.5000 0.2887 0.5969 ( 13744 PWs) bands (ev): -0.3515 -0.3515 -0.2920 -0.2920 0.0148 0.0148 0.1949 0.1949 0.2231 0.2231 0.2946 0.2946 1.2984 1.2984 1.6040 1.6040 4.6777 4.6777 4.8413 4.8413 5.2814 5.2814 5.6049 5.6049 5.6707 5.6707 5.9442 5.9442 6.3890 6.3890 6.4526 6.4526 6.5825 6.5825 6.6281 6.6281 6.9183 6.9183 7.0198 7.0198 7.1373 7.1373 7.3371 7.3371 7.4239 7.4239 7.5660 7.5660 7.7336 7.7336 7.8719 7.8719 8.9175 8.9175 8.9548 8.9548 8.9981 8.9981 9.1254 9.1254 9.2168 9.2168 9.3576 9.3576 9.3844 9.3844 9.5635 9.5635 9.6513 9.6513 9.8652 9.8652 10.1801 10.1801 10.2191 10.2191 10.4321 10.4321 10.6556 10.6556 10.8893 10.8893 11.0223 11.0223 11.2320 11.2320 11.2965 11.2965 11.4132 11.4132 11.6505 11.6505 11.8127 11.8127 k = 0.5000 0.2887 0.5709 ( 13738 PWs) bands (ev): -0.4027 -0.4027 -0.3348 -0.3348 0.0021 0.0021 0.2479 0.2479 0.2492 0.2492 0.3029 0.3029 1.2795 1.2795 1.6430 1.6430 4.6720 4.6720 4.8563 4.8563 5.2446 5.2446 5.5893 5.5893 5.6976 5.6976 5.9835 5.9835 6.3674 6.3674 6.4560 6.4560 6.6015 6.6015 6.6578 6.6578 6.9154 6.9154 7.0182 7.0182 7.1565 7.1565 7.3054 7.3054 7.4575 7.4575 7.5317 7.5317 7.7457 7.7457 7.8766 7.8766 8.8990 8.8990 8.9107 8.9107 8.9634 8.9634 9.1411 9.1411 9.1530 9.1530 9.3719 9.3719 9.3966 9.3966 9.5454 9.5454 9.6330 9.6330 9.9090 9.9090 10.2409 10.2409 10.2696 10.2696 10.3546 10.3546 10.5890 10.5890 10.8495 10.8495 10.9369 10.9369 11.2791 11.2791 11.3116 11.3116 11.3941 11.3941 11.7165 11.7165 11.8218 11.8218 k = 0.5000 0.2887 0.5450 ( 13744 PWs) bands (ev): -0.4525 -0.4525 -0.3771 -0.3771 -0.0162 -0.0162 0.2773 0.2773 0.3014 0.3014 0.3089 0.3089 1.2631 1.2631 1.6828 1.6828 4.6702 4.6702 4.8695 4.8695 5.2106 5.2106 5.5775 5.5775 5.7205 5.7205 6.0192 6.0192 6.3448 6.3448 6.4627 6.4627 6.6208 6.6208 6.6887 6.6887 6.9145 6.9145 7.0128 7.0128 7.1865 7.1865 7.2741 7.2741 7.4894 7.4894 7.5053 7.5053 7.7515 7.7515 7.8733 7.8733 8.8483 8.8483 8.8982 8.8982 8.9295 8.9295 9.0719 9.0719 9.1754 9.1754 9.3763 9.3763 9.4023 9.4023 9.5345 9.5345 9.6245 9.6245 9.9551 9.9551 10.2717 10.2717 10.2826 10.2826 10.3232 10.3232 10.5283 10.5283 10.8225 10.8225 10.8546 10.8546 11.2972 11.2972 11.3433 11.3433 11.3738 11.3738 11.7991 11.7991 11.8176 11.8176 k = 0.5000 0.2887 0.5190 ( 13748 PWs) bands (ev): -0.5009 -0.5009 -0.4186 -0.4186 -0.0378 -0.0378 0.3071 0.3071 0.3128 0.3128 0.3531 0.3531 1.2490 1.2490 1.7233 1.7233 4.6725 4.6725 4.8807 4.8807 5.1796 5.1796 5.5696 5.5696 5.7393 5.7393 6.0496 6.0496 6.3213 6.3213 6.4725 6.4725 6.6401 6.6401 6.7203 6.7203 6.9154 6.9154 7.0063 7.0063 7.2233 7.2233 7.2491 7.2491 7.4667 7.4667 7.5369 7.5369 7.7511 7.7511 7.8615 7.8615 8.7955 8.7955 8.8872 8.8872 8.8968 8.8968 9.0095 9.0095 9.1914 9.1914 9.3681 9.3681 9.4027 9.4027 9.5314 9.5314 9.6288 9.6288 10.0026 10.0026 10.1983 10.1983 10.2911 10.2911 10.3693 10.3693 10.4748 10.4748 10.7602 10.7602 10.8365 10.8365 11.3041 11.3041 11.3269 11.3269 11.4068 11.4068 11.8107 11.8107 11.8872 11.8878 k = 0.5000 0.2887 0.4931 ( 13738 PWs) bands (ev): -0.5478 -0.5478 -0.4590 -0.4590 -0.0610 -0.0610 0.3135 0.3135 0.3379 0.3379 0.4032 0.4032 1.2373 1.2373 1.7643 1.7643 4.6792 4.6792 4.8899 4.8899 5.1520 5.1520 5.5653 5.5653 5.7544 5.7544 6.0727 6.0727 6.2974 6.2974 6.4847 6.4847 6.6592 6.6592 6.7521 6.7521 6.9181 6.9181 6.9999 6.9999 7.2302 7.2302 7.2660 7.2660 7.4419 7.4419 7.5746 7.5746 7.7448 7.7448 7.8414 7.8414 8.7431 8.7431 8.8649 8.8649 8.8732 8.8732 8.9567 8.9567 9.1993 9.1993 9.3484 9.3484 9.3999 9.3999 9.5324 9.5324 9.6471 9.6471 10.0487 10.0487 10.1252 10.1252 10.2688 10.2688 10.4099 10.4099 10.4346 10.4346 10.6813 10.6813 10.8677 10.8677 11.2899 11.2899 11.3208 11.3208 11.4474 11.4474 11.8046 11.8046 11.8794 11.8794 k = 0.5000 0.2887 0.4671 ( 13736 PWs) bands (ev): -0.5929 -0.5929 -0.4983 -0.4983 -0.0849 -0.0849 0.3127 0.3127 0.3671 0.3671 0.4517 0.4517 1.2276 1.2276 1.8056 1.8056 4.6905 4.6905 4.8973 4.8973 5.1282 5.1282 5.5646 5.5646 5.7658 5.7658 6.0871 6.0871 6.2734 6.2734 6.4988 6.4988 6.6780 6.6780 6.7835 6.7835 6.9223 6.9223 6.9939 6.9939 7.2230 7.2230 7.3050 7.3050 7.4267 7.4267 7.6105 7.6105 7.7332 7.7332 7.8138 7.8138 8.6919 8.6919 8.8341 8.8341 8.8508 8.8508 8.9186 8.9186 9.1998 9.1998 9.3214 9.3214 9.3940 9.3940 9.5328 9.5328 9.6781 9.6781 10.0447 10.0447 10.1007 10.1007 10.2238 10.2238 10.3888 10.3888 10.4618 10.4618 10.6110 10.6110 10.9192 10.9192 11.2617 11.2617 11.3339 11.3339 11.4810 11.4810 11.7997 11.7997 11.8759 11.8759 k = 0.5000 0.2887 0.4412 ( 13736 PWs) bands (ev): -0.6362 -0.6362 -0.5363 -0.5363 -0.1091 -0.1091 0.3099 0.3099 0.3948 0.3948 0.4983 0.4983 1.2199 1.2199 1.8471 1.8471 4.7064 4.7064 4.9028 4.9028 5.1081 5.1081 5.5674 5.5674 5.7740 5.7740 6.0917 6.0917 6.2496 6.2496 6.5137 6.5137 6.6961 6.6961 6.8142 6.8142 6.9280 6.9280 6.9882 6.9882 7.2256 7.2256 7.3293 7.3293 7.4338 7.4338 7.6426 7.6426 7.7184 7.7184 7.7806 7.7806 8.6427 8.6427 8.8030 8.8030 8.8188 8.8188 8.8967 8.8967 9.1950 9.1950 9.2903 9.2903 9.3852 9.3852 9.5291 9.5291 9.7182 9.7182 9.9754 9.9754 10.1352 10.1352 10.1663 10.1663 10.3627 10.3627 10.4932 10.4932 10.5630 10.5630 10.9793 10.9793 11.2349 11.2349 11.3530 11.3530 11.5069 11.5069 11.7965 11.7965 11.8814 11.8814 k = 0.5000 0.2887 0.4152 ( 13722 PWs) bands (ev): -0.6775 -0.6775 -0.5727 -0.5727 -0.1331 -0.1331 0.3053 0.3053 0.4208 0.4208 0.5429 0.5429 1.2140 1.2140 1.8886 1.8886 4.7268 4.7268 4.9067 4.9067 5.0919 5.0919 5.5738 5.5738 5.7794 5.7794 6.0866 6.0866 6.2260 6.2260 6.5286 6.5286 6.7132 6.7132 6.8440 6.8440 6.9347 6.9347 6.9828 6.9828 7.2364 7.2364 7.3317 7.3317 7.4695 7.4695 7.6620 7.6620 7.7082 7.7082 7.7459 7.7459 8.5959 8.5959 8.7692 8.7692 8.7867 8.7867 8.8836 8.8836 9.1871 9.1871 9.2571 9.2571 9.3737 9.3737 9.5193 9.5193 9.7620 9.7620 9.9059 9.9059 10.1050 10.1050 10.1548 10.1548 10.3467 10.3467 10.4926 10.4926 10.5686 10.5686 11.0392 11.0392 11.2109 11.2109 11.3777 11.3777 11.5278 11.5278 11.7954 11.7954 11.8958 11.8960 k = 0.5000 0.2887 0.3893 ( 13720 PWs) bands (ev): -0.7169 -0.7169 -0.6075 -0.6075 -0.1566 -0.1566 0.2993 0.2993 0.4449 0.4449 0.5853 0.5853 1.2095 1.2095 1.9297 1.9297 4.7518 4.7518 4.9091 4.9091 5.0797 5.0797 5.5838 5.5838 5.7823 5.7823 6.0731 6.0731 6.2020 6.2020 6.5421 6.5421 6.7288 6.7288 6.8725 6.8725 6.9422 6.9422 6.9783 6.9783 7.2500 7.2500 7.3275 7.3275 7.5185 7.5185 7.6503 7.6503 7.7076 7.7076 7.7292 7.7292 8.5523 8.5523 8.7327 8.7327 8.7590 8.7590 8.8738 8.8738 9.1780 9.1780 9.2230 9.2230 9.3600 9.3600 9.5031 9.5031 9.7991 9.7991 9.8401 9.8401 10.0498 10.0498 10.1476 10.1476 10.3421 10.3421 10.4948 10.4948 10.6023 10.6023 11.0917 11.0917 11.1897 11.1897 11.4076 11.4076 11.5494 11.5494 11.7964 11.7964 11.9079 11.9080 k = 0.5000 0.2887 0.3633 ( 13728 PWs) bands (ev): -0.7541 -0.7541 -0.6406 -0.6406 -0.1793 -0.1793 0.2921 0.2921 0.4669 0.4669 0.6253 0.6253 1.2062 1.2062 1.9704 1.9704 4.7809 4.7809 4.9103 4.9103 5.0715 5.0715 5.5974 5.5974 5.7832 5.7832 6.0530 6.0530 6.1775 6.1775 6.5532 6.5532 6.7420 6.7420 6.8992 6.8992 6.9500 6.9500 6.9760 6.9760 7.2571 7.2571 7.3285 7.3285 7.5674 7.5674 7.6229 7.6229 7.6907 7.6907 7.7514 7.7514 8.5123 8.5123 8.6961 8.6961 8.7341 8.7341 8.8651 8.8651 9.1691 9.1691 9.1889 9.1889 9.3442 9.3442 9.4808 9.4808 9.7684 9.7684 9.8212 9.8212 10.0181 10.0181 10.1151 10.1151 10.3488 10.3488 10.5232 10.5232 10.6390 10.6390 11.1315 11.1315 11.1717 11.1717 11.4423 11.4423 11.5777 11.5777 11.7994 11.7994 11.8826 11.8826 k = 0.5000 0.2887 0.3374 ( 13720 PWs) bands (ev): -0.7891 -0.7891 -0.6718 -0.6718 -0.2012 -0.2012 0.2841 0.2841 0.4869 0.4869 0.6629 0.6629 1.2040 1.2040 2.0102 2.0102 4.8136 4.8136 4.9108 4.9108 5.0670 5.0670 5.6145 5.6145 5.7824 5.7824 6.0278 6.0278 6.1524 6.1524 6.5611 6.5611 6.7519 6.7519 6.9214 6.9214 6.9580 6.9580 6.9783 6.9783 7.2506 7.2506 7.3355 7.3355 7.5929 7.5929 7.6060 7.6060 7.6951 7.6951 7.7781 7.7781 8.4767 8.4767 8.6605 8.6605 8.7113 8.7113 8.8571 8.8571 9.1552 9.1552 9.1613 9.1613 9.3267 9.3267 9.4534 9.4534 9.7056 9.7056 9.7959 9.7959 10.0254 10.0254 10.0700 10.0700 10.3651 10.3651 10.5709 10.5709 10.6754 10.6754 11.1511 11.1511 11.1623 11.1623 11.4808 11.4808 11.6168 11.6168 11.8011 11.8011 11.8500 11.8500 k = 0.5000 0.2887 0.3114 ( 13730 PWs) bands (ev): -0.8218 -0.8218 -0.7011 -0.7011 -0.2219 -0.2219 0.2755 0.2755 0.5048 0.5048 0.6978 0.6978 1.2025 1.2025 2.0490 2.0490 4.8482 4.8482 4.9122 4.9122 5.0661 5.0661 5.6348 5.6348 5.7806 5.7806 5.9988 5.9988 6.1275 6.1275 6.5652 6.5652 6.7575 6.7575 6.9341 6.9341 6.9673 6.9673 6.9890 6.9890 7.2313 7.2313 7.3381 7.3381 7.5780 7.5780 7.6208 7.6208 7.7271 7.7271 7.8081 7.8081 8.4455 8.4455 8.6257 8.6257 8.6901 8.6901 8.8494 8.8494 9.1232 9.1232 9.1545 9.1545 9.3077 9.3077 9.4220 9.4220 9.6444 9.6444 9.7443 9.7443 10.0097 10.0097 10.0691 10.0691 10.3894 10.3894 10.6295 10.6295 10.7107 10.7107 11.1408 11.1408 11.1733 11.1733 11.5215 11.5215 11.6665 11.6665 11.7804 11.7804 11.8381 11.8381 k = 0.5000 0.2887 0.2855 ( 13746 PWs) bands (ev): -0.8521 -0.8521 -0.7284 -0.7284 -0.2415 -0.2415 0.2666 0.2666 0.5208 0.5208 0.7301 0.7301 1.2017 1.2017 2.0864 2.0864 4.8773 4.8773 4.9215 4.9215 5.0687 5.0687 5.6578 5.6578 5.7783 5.7783 5.9669 5.9669 6.1036 6.1036 6.5653 6.5653 6.7582 6.7582 6.9370 6.9370 6.9762 6.9762 7.0090 7.0090 7.2006 7.2006 7.3302 7.3302 7.5728 7.5728 7.6386 7.6386 7.7656 7.7656 7.8459 7.8459 8.4191 8.4191 8.5916 8.5916 8.6705 8.6705 8.8421 8.8421 9.0929 9.0929 9.1495 9.1495 9.2875 9.2875 9.3880 9.3880 9.5860 9.5860 9.6838 9.6838 9.9581 9.9581 10.1110 10.1110 10.4206 10.4206 10.6934 10.6934 10.7456 10.7456 11.1297 11.1297 11.1798 11.1798 11.5630 11.5630 11.7230 11.7230 11.7357 11.7357 11.8522 11.8522 k = 0.5000 0.2887 0.2595 ( 13742 PWs) bands (ev): -0.8800 -0.8800 -0.7535 -0.7535 -0.2596 -0.2596 0.2577 0.2577 0.5348 0.5348 0.7596 0.7596 1.2014 1.2014 2.1222 2.1222 4.8876 4.8876 4.9518 4.9518 5.0747 5.0747 5.6821 5.6821 5.7771 5.7771 5.9329 5.9329 6.0814 6.0814 6.5613 6.5613 6.7539 6.7539 6.9348 6.9348 6.9834 6.9834 7.0333 7.0333 7.1604 7.1604 7.3136 7.3136 7.5773 7.5773 7.6648 7.6648 7.7990 7.7990 7.8936 7.8936 8.3972 8.3972 8.5581 8.5581 8.6522 8.6522 8.8352 8.8352 9.0649 9.0649 9.1460 9.1460 9.2663 9.2663 9.3526 9.3526 9.5306 9.5306 9.6218 9.6218 9.9071 9.9071 10.1533 10.1533 10.4576 10.4576 10.7538 10.7538 10.7856 10.7856 11.1201 11.1201 11.1840 11.1840 11.6034 11.6034 11.6812 11.6812 11.7853 11.7853 11.8775 11.8775 k = 0.5000 0.2887 0.2336 ( 13734 PWs) bands (ev): -0.9055 -0.9055 -0.7764 -0.7764 -0.2764 -0.2764 0.2489 0.2489 0.5470 0.5470 0.7863 0.7863 1.2014 1.2014 2.1559 2.1559 4.8872 4.8872 4.9936 4.9936 5.0847 5.0847 5.7040 5.7040 5.7800 5.7800 5.8976 5.8976 6.0617 6.0617 6.5533 6.5533 6.7451 6.7451 6.9287 6.9287 6.9893 6.9893 7.0581 7.0581 7.1155 7.1155 7.2922 7.2922 7.5903 7.5903 7.6940 7.6940 7.8308 7.8308 7.9473 7.9473 8.3794 8.3794 8.5250 8.5250 8.6352 8.6352 8.8287 8.8287 9.0399 9.0399 9.1440 9.1440 9.2445 9.2445 9.3168 9.3168 9.4788 9.4788 9.5613 9.5613 9.8593 9.8593 10.1908 10.1908 10.4996 10.4996 10.7935 10.7935 10.8457 10.8457 11.1118 11.1118 11.1897 11.1897 11.6202 11.6202 11.6451 11.6451 11.8475 11.8475 11.9113 11.9113 k = 0.5000 0.2887 0.2076 ( 13734 PWs) bands (ev): -0.9284 -0.9284 -0.7971 -0.7971 -0.2916 -0.2916 0.2406 0.2406 0.5576 0.5576 0.8102 0.8102 1.2015 1.2015 2.1872 2.1872 4.8840 4.8840 5.0359 5.0359 5.1010 5.1010 5.7170 5.7170 5.7928 5.7928 5.8619 5.8619 6.0447 6.0447 6.5412 6.5412 6.7326 6.7326 6.9171 6.9171 6.9939 6.9939 7.0659 7.0659 7.0877 7.0877 7.2686 7.2686 7.6101 7.6101 7.7198 7.7198 7.8666 7.8666 8.0025 8.0025 8.3651 8.3651 8.4923 8.4923 8.6192 8.6192 8.8228 8.8228 9.0180 9.0180 9.1434 9.1434 9.2224 9.2224 9.2814 9.2814 9.4309 9.4309 9.5036 9.5036 9.8159 9.8159 10.2218 10.2218 10.5458 10.5458 10.8216 10.8216 10.9151 10.9151 11.1047 11.1047 11.1988 11.1988 11.5607 11.5607 11.6797 11.6797 11.9083 11.9083 11.9514 11.9514 k = 0.5000 0.2887 0.1817 ( 13726 PWs) bands (ev): -0.9487 -0.9487 -0.8155 -0.8155 -0.3052 -0.3052 0.2328 0.2328 0.5665 0.5665 0.8312 0.8312 1.2019 1.2019 2.2159 2.2159 4.8799 4.8799 5.0690 5.0690 5.1304 5.1304 5.7178 5.7178 5.8150 5.8150 5.8297 5.8297 6.0310 6.0310 6.5249 6.5249 6.7176 6.7176 6.8970 6.8970 6.9972 6.9972 7.0317 7.0317 7.1077 7.1077 7.2452 7.2452 7.6347 7.6347 7.7391 7.7391 7.9082 7.9082 8.0566 8.0566 8.3537 8.3537 8.4598 8.4598 8.6043 8.6043 8.8174 8.8174 8.9997 8.9997 9.1437 9.1437 9.2006 9.2006 9.2472 9.2472 9.3873 9.3873 9.4498 9.4498 9.7772 9.7772 10.2455 10.2455 10.5957 10.5957 10.8451 10.8451 10.9849 10.9849 11.0987 11.0987 11.2123 11.2123 11.4973 11.4973 11.7139 11.7139 11.9656 11.9656 11.9942 11.9942 k = 0.5000 0.2887 0.1557 ( 13734 PWs) bands (ev): -0.9664 -0.9664 -0.8316 -0.8316 -0.3171 -0.3171 0.2257 0.2257 0.5740 0.5740 0.8494 0.8494 1.2022 1.2022 2.2416 2.2416 4.8756 4.8756 5.0895 5.0895 5.1748 5.1748 5.7089 5.7089 5.7936 5.7936 5.8504 5.8504 6.0210 6.0210 6.5044 6.5044 6.7018 6.7018 6.8667 6.8667 6.9983 6.9983 7.0078 7.0078 7.1272 7.1272 7.2240 7.2240 7.6616 7.6616 7.7528 7.7528 7.9541 7.9541 8.1080 8.1080 8.3444 8.3444 8.4274 8.4274 8.5902 8.5902 8.8127 8.8127 8.9851 8.9851 9.1441 9.1441 9.1805 9.1805 9.2150 9.2150 9.3484 9.3484 9.4005 9.4005 9.7436 9.7436 10.2623 10.2623 10.6488 10.6488 10.8651 10.8651 11.0516 11.0516 11.0946 11.0946 11.2293 11.2293 11.4321 11.4321 11.7471 11.7471 12.0105 12.0106 12.0339 12.0342 k = 0.5000 0.2887 0.1298 ( 13722 PWs) bands (ev): -0.9814 -0.9814 -0.8452 -0.8452 -0.3272 -0.3272 0.2196 0.2196 0.5801 0.5801 0.8647 0.8647 1.2026 1.2026 2.2639 2.2639 4.8715 4.8715 5.1036 5.1036 5.2264 5.2264 5.6904 5.6904 5.7685 5.7685 5.8822 5.8822 6.0159 6.0159 6.4799 6.4799 6.6868 6.6868 6.8297 6.8297 6.9899 6.9899 7.0027 7.0027 7.1419 7.1419 7.2078 7.2078 7.6885 7.6885 7.7626 7.7626 8.0016 8.0016 8.1556 8.1556 8.3368 8.3368 8.3950 8.3950 8.5769 8.5769 8.8087 8.8087 8.9742 8.9742 9.1413 9.1413 9.1656 9.1656 9.1856 9.1856 9.3147 9.3147 9.3562 9.3562 9.7153 9.7153 10.2731 10.2731 10.7046 10.7046 10.8819 10.8819 11.0850 11.0850 11.1205 11.1205 11.2486 11.2486 11.3658 11.3658 11.7803 11.7803 12.0059 12.0059 12.0725 12.0727 k = 0.5000 0.2887 0.1038 ( 13726 PWs) bands (ev): -0.9937 -0.9937 -0.8564 -0.8564 -0.3356 -0.3356 0.2144 0.2144 0.5850 0.5850 0.8772 0.8772 1.2030 1.2030 2.2826 2.2826 4.8678 4.8678 5.1148 5.1148 5.2805 5.2805 5.6617 5.6617 5.7520 5.7520 5.9102 5.9102 6.0179 6.0179 6.4523 6.4523 6.6744 6.6744 6.7915 6.7915 6.9816 6.9816 7.0029 7.0029 7.1481 7.1481 7.2003 7.2003 7.7135 7.7135 7.7698 7.7698 8.0489 8.0489 8.1981 8.1981 8.3303 8.3303 8.3626 8.3626 8.5644 8.5644 8.8054 8.8054 8.9669 8.9669 9.1305 9.1305 9.1562 9.1562 9.1651 9.1651 9.2865 9.2865 9.3176 9.3176 9.6923 9.6923 10.2793 10.2793 10.7629 10.7629 10.8955 10.8955 11.0830 11.0830 11.1764 11.1764 11.2681 11.2681 11.2989 11.2989 11.8138 11.8138 11.9805 11.9805 12.0731 12.0739 k = 0.5000 0.2887 0.0779 ( 13730 PWs) bands (ev): -1.0033 -1.0033 -0.8651 -0.8651 -0.3422 -0.3422 0.2102 0.2102 0.5887 0.5887 0.8870 0.8870 1.2033 1.2033 2.2974 2.2974 4.8648 4.8648 5.1237 5.1237 5.3351 5.3351 5.6253 5.6253 5.7421 5.7421 5.9294 5.9294 6.0291 6.0291 6.4235 6.4235 6.6661 6.6661 6.7564 6.7564 6.9765 6.9765 7.0031 7.0031 7.1454 7.1454 7.2021 7.2021 7.7349 7.7349 7.7752 7.7752 8.0947 8.0947 8.2345 8.2345 8.3233 8.3233 8.3313 8.3313 8.5531 8.5531 8.8029 8.8029 8.9626 8.9626 9.1170 9.1170 9.1358 9.1358 9.1662 9.1662 9.2641 9.2641 9.2851 9.2851 9.6745 9.6745 10.2823 10.2823 10.8229 10.8229 10.9061 10.9061 11.0802 11.0802 11.2236 11.2236 11.2337 11.2337 11.2860 11.2860 11.8473 11.8473 11.9546 11.9546 12.0610 12.0610 k = 0.5000 0.2887 0.0519 ( 13730 PWs) bands (ev): -1.0102 -1.0102 -0.8714 -0.8714 -0.3469 -0.3469 0.2072 0.2072 0.5912 0.5912 0.8939 0.8939 1.2035 1.2035 2.3082 2.3082 4.8625 4.8625 5.1302 5.1302 5.3889 5.3889 5.5841 5.5841 5.7362 5.7362 5.9392 5.9392 6.0467 6.0467 6.3968 6.3968 6.6627 6.6627 6.7268 6.7268 6.9734 6.9734 7.0031 7.0031 7.1397 7.1397 7.2073 7.2073 7.7513 7.7513 7.7789 7.7789 8.1382 8.1382 8.2628 8.2628 8.2952 8.2952 8.3216 8.3216 8.5436 8.5436 8.8010 8.8010 8.9606 8.9606 9.1058 9.1058 9.1189 9.1189 9.1711 9.1711 9.2479 9.2479 9.2594 9.2594 9.6619 9.6619 10.2834 10.2834 10.8835 10.8835 10.9140 10.9140 11.0774 11.0774 11.1664 11.1664 11.2637 11.2637 11.3001 11.3001 11.8789 11.8789 11.9345 11.9345 12.0391 12.0391 k = 0.5000 0.2887 0.0260 ( 13732 PWs) bands (ev): -1.0144 -1.0144 -0.8752 -0.8752 -0.3497 -0.3497 0.2054 0.2054 0.5928 0.5928 0.8980 0.8980 1.2036 1.2036 2.3147 2.3147 4.8611 4.8611 5.1343 5.1343 5.4411 5.4411 5.5394 5.5394 5.7330 5.7330 5.9430 5.9430 6.0628 6.0628 6.3772 6.3772 6.6641 6.6641 6.7050 6.7050 6.9717 6.9717 7.0030 7.0030 7.1353 7.1353 7.2115 7.2115 7.7617 7.7617 7.7810 7.7810 8.1787 8.1787 8.2591 8.2591 8.2840 8.2840 8.3176 8.3176 8.5371 8.5371 8.7999 8.7999 8.9599 8.9599 9.0985 9.0985 9.1080 9.1080 9.1762 9.1762 9.2381 9.2381 9.2418 9.2418 9.6544 9.6544 10.2837 10.2837 10.9168 10.9168 10.9443 10.9443 11.0715 11.0715 11.1090 11.1090 11.2880 11.2880 11.3091 11.3091 11.8984 11.8984 11.9308 11.9308 12.0140 12.0140 k = 0.5000 0.2887-0.0000 ( 13732 PWs) bands (ev): -1.0157 -1.0157 -0.8764 -0.8764 -0.3506 -0.3506 0.2048 0.2048 0.5933 0.5933 0.8994 0.8994 1.2037 1.2037 2.3169 2.3169 4.8606 4.8606 5.1357 5.1357 5.4875 5.4875 5.4955 5.4955 5.7320 5.7320 5.9439 5.9439 6.0693 6.0693 6.3698 6.3698 6.6664 6.6664 6.6957 6.6957 6.9711 6.9711 7.0030 7.0030 7.1337 7.1337 7.2130 7.2130 7.7652 7.7652 7.7817 7.7817 8.2068 8.2068 8.2336 8.2336 8.2909 8.2909 8.3157 8.3157 8.5348 8.5348 8.7995 8.7995 8.9598 8.9598 9.0960 9.0960 9.1043 9.1043 9.1786 9.1786 9.2348 9.2348 9.2352 9.2352 9.6519 9.6519 10.2837 10.2837 10.9187 10.9187 10.9805 10.9805 11.0537 11.0537 11.0887 11.0887 11.2965 11.2965 11.3122 11.3122 11.9000 11.9000 11.9400 11.9400 11.9997 11.9997 k = 0.3333 0.5774-0.0000 ( 13698 PWs) bands (ev): -0.8461 -0.8461 -0.8424 -0.8424 -0.6176 -0.6176 0.1473 0.1473 0.7877 0.7877 0.7908 0.7908 1.2209 1.2209 2.3163 2.3163 5.2026 5.2026 5.2123 5.2123 5.2779 5.2779 5.3112 5.3112 5.6161 5.6161 5.9792 5.9792 6.0423 6.0423 6.1973 6.1973 6.5732 6.5732 7.0125 7.0125 7.0138 7.0138 7.1067 7.1067 7.3204 7.3204 7.3817 7.3817 7.5779 7.5779 7.9119 7.9119 7.9385 7.9385 8.2754 8.2754 8.2794 8.2794 8.3254 8.3254 8.4711 8.4711 8.6932 8.6932 8.7179 8.7179 8.9343 8.9343 8.9456 8.9456 9.2419 9.2419 9.2669 9.2669 10.0243 10.0243 10.0545 10.0545 10.2261 10.2261 10.2970 10.2970 10.7372 10.7372 10.8285 10.8285 11.2653 11.2653 11.3013 11.3013 11.5724 11.5724 11.7595 11.7595 11.8752 11.8752 12.1033 12.1039 k = 0.3333 0.5774 0.0260 ( 13704 PWs) bands (ev): -0.8448 -0.8448 -0.8411 -0.8411 -0.6165 -0.6165 0.1478 0.1478 0.7868 0.7868 0.7899 0.7899 1.2208 1.2208 2.3140 2.3140 5.1990 5.1990 5.2068 5.2068 5.2808 5.2808 5.3103 5.3103 5.6157 5.6157 5.9842 5.9842 6.0402 6.0402 6.2012 6.2012 6.5738 6.5738 7.0024 7.0024 7.0286 7.0286 7.1055 7.1055 7.3224 7.3224 7.3843 7.3843 7.5762 7.5762 7.9047 7.9047 7.9312 7.9312 8.2808 8.2808 8.2842 8.2842 8.3108 8.3108 8.4836 8.4836 8.6927 8.6927 8.7175 8.7175 8.9266 8.9266 8.9565 8.9565 9.2455 9.2455 9.2706 9.2706 10.0235 10.0235 10.0534 10.0534 10.2268 10.2268 10.2974 10.2974 10.7377 10.7377 10.8281 10.8281 11.2672 11.2672 11.2980 11.2980 11.5558 11.5558 11.7770 11.7770 11.8756 11.8756 12.0904 12.0930 k = 0.3333 0.5774 0.0519 ( 13707 PWs) bands (ev): -0.8409 -0.8409 -0.8372 -0.8372 -0.6132 -0.6132 0.1491 0.1491 0.7842 0.7842 0.7873 0.7873 1.2205 1.2205 2.3073 2.3073 5.1879 5.1879 5.1923 5.1923 5.2878 5.2878 5.3083 5.3083 5.6148 5.6148 5.9987 5.9987 6.0344 6.0344 6.2125 6.2125 6.5755 6.5755 6.9949 6.9949 7.0497 7.0497 7.1019 7.1019 7.3285 7.3285 7.3920 7.3920 7.5713 7.5713 7.8843 7.8843 7.9105 7.9105 8.2698 8.2698 8.2960 8.2960 8.3034 8.3034 8.5119 8.5119 8.6914 8.6914 8.7164 8.7164 8.9181 8.9181 8.9747 8.9747 9.2561 9.2561 9.2816 9.2816 10.0211 10.0211 10.0503 10.0503 10.2286 10.2286 10.2987 10.2987 10.7390 10.7390 10.8269 10.8269 11.2725 11.2725 11.2886 11.2886 11.5177 11.5177 11.8167 11.8167 11.8780 11.8780 12.0580 12.0591 k = 0.3333 0.5774 0.0779 ( 13695 PWs) bands (ev): -0.8344 -0.8344 -0.8307 -0.8307 -0.6078 -0.6078 0.1513 0.1513 0.7798 0.7798 0.7829 0.7829 1.2201 1.2201 2.2961 2.2961 5.1692 5.1692 5.1716 5.1716 5.2963 5.2963 5.3068 5.3068 5.6133 5.6133 6.0214 6.0214 6.0260 6.0260 6.2303 6.2303 6.5784 6.5784 6.9891 6.9891 7.0766 7.0766 7.0961 7.0961 7.3385 7.3385 7.4042 7.4042 7.5634 7.5634 7.8541 7.8541 7.8801 7.8801 8.2227 8.2227 8.3180 8.3180 8.3247 8.3247 8.5452 8.5452 8.6893 8.6893 8.7148 8.7148 8.9124 8.9124 8.9964 8.9964 9.2736 9.2736 9.2997 9.2997 10.0173 10.0173 10.0452 10.0452 10.2315 10.2315 10.3007 10.3007 10.7410 10.7410 10.8250 10.8250 11.2689 11.2689 11.2847 11.2847 11.4719 11.4719 11.8530 11.8530 11.8949 11.8949 12.0128 12.0143 k = 0.3333 0.5774 0.1038 ( 13710 PWs) bands (ev): -0.8254 -0.8254 -0.8217 -0.8217 -0.6001 -0.6001 0.1543 0.1543 0.7736 0.7736 0.7766 0.7766 1.2195 1.2195 2.2808 2.2808 5.1437 5.1437 5.1465 5.1465 5.3053 5.3053 5.3068 5.3068 5.6113 5.6113 6.0165 6.0165 6.0504 6.0504 6.2534 6.2534 6.5824 6.5824 6.9839 6.9839 7.0881 7.0881 7.1087 7.1087 7.3523 7.3523 7.4202 7.4202 7.5530 7.5530 7.8174 7.8174 7.8434 7.8434 8.1685 8.1685 8.3441 8.3441 8.3508 8.3508 8.5794 8.5794 8.6865 8.6865 8.7130 8.7130 8.9095 8.9095 9.0212 9.0212 9.2974 9.2974 9.3244 9.3244 10.0126 10.0126 10.0386 10.0386 10.2350 10.2350 10.3031 10.3031 10.7436 10.7436 10.8221 10.8221 11.2472 11.2472 11.2946 11.2946 11.4246 11.4246 11.8636 11.8636 11.9404 11.9404 11.9602 11.9623 k = 0.3333 0.5774 0.1298 ( 13722 PWs) bands (ev): -0.8137 -0.8137 -0.8101 -0.8101 -0.5904 -0.5904 0.1581 0.1581 0.7655 0.7655 0.7684 0.7684 1.2187 1.2187 2.2614 2.2614 5.1130 5.1130 5.1183 5.1183 5.3086 5.3086 5.3143 5.3143 5.6082 5.6082 6.0079 6.0079 6.0841 6.0841 6.2804 6.2804 6.5875 6.5875 6.9782 6.9782 7.0781 7.0781 7.1445 7.1445 7.3693 7.3693 7.4384 7.4384 7.5410 7.5410 7.7777 7.7777 7.8038 7.8038 8.1099 8.1099 8.3722 8.3722 8.3788 8.3788 8.6128 8.6128 8.6833 8.6833 8.7116 8.7116 8.9095 8.9095 9.0488 9.0488 9.3273 9.3273 9.3552 9.3552 10.0071 10.0071 10.0308 10.0308 10.2389 10.2389 10.3060 10.3060 10.7463 10.7463 10.8181 10.8181 11.2189 11.2189 11.3039 11.3039 11.3801 11.3801 11.8672 11.8672 11.9001 11.9001 11.9028 11.9028 k = 0.3333 0.5774 0.1557 ( 13728 PWs) bands (ev): -0.7995 -0.7995 -0.7959 -0.7959 -0.5785 -0.5785 0.1625 0.1625 0.7555 0.7555 0.7584 0.7584 1.2178 1.2178 2.2383 2.2383 5.0791 5.0791 5.0880 5.0880 5.3118 5.3118 5.3234 5.3234 5.6034 5.6034 6.0021 6.0021 6.1208 6.1208 6.3102 6.3102 6.5937 6.5937 6.9715 6.9715 7.0664 7.0664 7.1812 7.1812 7.3885 7.3885 7.4558 7.4558 7.5287 7.5287 7.7389 7.7389 7.7639 7.7639 8.0483 8.0483 8.4008 8.4008 8.4070 8.4070 8.6438 8.6438 8.6801 8.6801 8.7121 8.7121 8.9122 8.9122 9.0791 9.0791 9.3624 9.3624 9.3915 9.3915 10.0012 10.0012 10.0219 10.0219 10.2431 10.2431 10.3092 10.3092 10.7489 10.7489 10.8129 10.8129 11.1854 11.1854 11.2998 11.2998 11.3495 11.3495 11.8405 11.8405 11.8435 11.8435 11.8769 11.8769 k = 0.3333 0.5774 0.1817 ( 13719 PWs) bands (ev): -0.7829 -0.7829 -0.7792 -0.7792 -0.5646 -0.5646 0.1674 0.1674 0.7435 0.7435 0.7463 0.7463 1.2168 1.2168 2.2117 2.2117 5.0436 5.0436 5.0567 5.0567 5.3160 5.3160 5.3324 5.3324 5.5965 5.5965 6.0004 6.0004 6.1594 6.1594 6.3417 6.3417 6.6010 6.6010 6.9634 6.9634 7.0531 7.0531 7.2146 7.2146 7.4085 7.4085 7.4673 7.4673 7.5184 7.5184 7.7068 7.7068 7.7271 7.7271 7.9849 7.9849 8.4287 8.4287 8.4343 8.4343 8.6689 8.6689 8.6774 8.6774 8.7186 8.7186 8.9174 8.9174 9.1115 9.1115 9.4023 9.4023 9.4324 9.4324 9.9947 9.9947 10.0118 10.0118 10.2477 10.2477 10.3132 10.3132 10.7510 10.7510 10.8064 10.8064 11.1476 11.1476 11.2681 11.2681 11.3455 11.3455 11.7843 11.7843 11.7915 11.7915 11.8865 11.8865 k = 0.3333 0.5774 0.2076 ( 13716 PWs) bands (ev): -0.7637 -0.7637 -0.7601 -0.7601 -0.5486 -0.5486 0.1727 0.1727 0.7294 0.7294 0.7321 0.7321 1.2157 1.2157 2.1820 2.1820 5.0081 5.0081 5.0253 5.0253 5.3209 5.3209 5.3412 5.3412 5.5870 5.5870 6.0038 6.0038 6.1989 6.1989 6.3742 6.3742 6.6093 6.6093 6.9538 6.9538 7.0385 7.0385 7.2384 7.2384 7.4278 7.4278 7.4652 7.4652 7.5133 7.5133 7.6891 7.6891 7.6968 7.6968 7.9214 7.9214 8.4550 8.4550 8.4598 8.4598 8.6761 8.6761 8.6832 8.6832 8.7370 8.7370 8.9252 8.9252 9.1459 9.1459 9.4460 9.4460 9.4773 9.4773 9.9874 9.9874 10.0005 10.0005 10.2531 10.2531 10.3184 10.3184 10.7521 10.7521 10.7986 10.7986 11.1064 11.1064 11.2277 11.2277 11.3472 11.3472 11.7340 11.7340 11.7442 11.7442 11.9024 11.9024 k = 0.3333 0.5774 0.2336 ( 13722 PWs) bands (ev): -0.7422 -0.7422 -0.7386 -0.7386 -0.5307 -0.5307 0.1782 0.1782 0.7132 0.7132 0.7158 0.7158 1.2147 1.2147 2.1495 2.1495 4.9736 4.9736 4.9949 4.9949 5.3259 5.3259 5.3496 5.3496 5.5751 5.5751 6.0123 6.0123 6.2389 6.2389 6.4070 6.4070 6.6188 6.6188 6.9426 6.9426 7.0228 7.0228 7.2457 7.2457 7.4424 7.4424 7.4443 7.4443 7.5182 7.5182 7.6760 7.6760 7.6907 7.6907 7.8606 7.8606 8.4784 8.4784 8.4824 8.4824 8.6778 8.6778 8.6908 8.6908 8.7643 8.7643 8.9352 8.9352 9.1816 9.1816 9.4928 9.4928 9.5252 9.5252 9.9786 9.9786 9.9873 9.9873 10.2602 10.2602 10.3257 10.3257 10.7522 10.7522 10.7897 10.7897 11.0630 11.0630 11.1875 11.1875 11.3441 11.3441 11.6914 11.6914 11.7042 11.7042 11.9229 11.9229 k = 0.3333 0.5774 0.2595 ( 13704 PWs) bands (ev): -0.7183 -0.7183 -0.7147 -0.7147 -0.5109 -0.5109 0.1838 0.1838 0.6947 0.6947 0.6973 0.6973 1.2139 1.2139 2.1145 2.1145 4.9412 4.9412 4.9661 4.9661 5.3307 5.3307 5.3575 5.3575 5.5615 5.5615 6.0252 6.0252 6.2787 6.2787 6.4396 6.4396 6.6294 6.6294 6.9299 6.9299 7.0064 7.0064 7.2345 7.2345 7.4079 7.4079 7.4431 7.4431 7.5408 7.5408 7.6623 7.6623 7.7076 7.7076 7.8086 7.8086 8.4976 8.4976 8.5011 8.5011 8.6842 8.6842 8.6991 8.6991 8.7948 8.7948 8.9475 8.9475 9.2183 9.2183 9.5415 9.5415 9.5750 9.5750 9.9676 9.9676 9.9719 9.9719 10.2699 10.2699 10.3359 10.3359 10.7512 10.7512 10.7801 10.7801 11.0185 11.0185 11.1494 11.1494 11.3326 11.3326 11.6578 11.6578 11.6728 11.6728 11.9260 11.9260 k = 0.3333 0.5774 0.2855 ( 13710 PWs) bands (ev): -0.6921 -0.6921 -0.6885 -0.6885 -0.4893 -0.4893 0.1891 0.1891 0.6740 0.6740 0.6765 0.6765 1.2132 1.2132 2.0775 2.0775 4.9115 4.9115 4.9398 4.9398 5.3348 5.3348 5.3646 5.3646 5.5470 5.5470 6.0413 6.0413 6.3182 6.3182 6.4717 6.4717 6.6412 6.6412 6.9159 6.9159 6.9894 6.9894 7.2088 7.2088 7.3627 7.3627 7.4286 7.4286 7.5784 7.5784 7.6433 7.6433 7.7322 7.7322 7.7777 7.7777 8.5120 8.5120 8.5153 8.5153 8.6971 8.6971 8.7119 8.7119 8.8264 8.8264 8.9619 8.9619 9.2553 9.2553 9.5907 9.5907 9.6251 9.6251 9.9534 9.9534 9.9537 9.9537 10.2837 10.2837 10.3503 10.3503 10.7497 10.7497 10.7707 10.7707 10.9742 10.9742 11.1141 11.1141 11.3109 11.3109 11.6337 11.6337 11.6504 11.6504 11.8738 11.8738 k = 0.3333 0.5774 0.3114 ( 13728 PWs) bands (ev): -0.6636 -0.6636 -0.6601 -0.6601 -0.4660 -0.4660 0.1941 0.1941 0.6510 0.6510 0.6534 0.6534 1.2129 1.2129 2.0387 2.0387 4.8852 4.8852 4.9165 4.9165 5.3378 5.3378 5.3704 5.3704 5.5325 5.5325 6.0590 6.0590 6.3570 6.3570 6.5029 6.5029 6.6542 6.6542 6.9010 6.9010 6.9724 6.9724 7.1740 7.1740 7.3137 7.3137 7.4056 7.4056 7.5957 7.5957 7.6350 7.6350 7.7587 7.7587 7.7746 7.7746 8.5222 8.5222 8.5255 8.5255 8.7170 8.7170 8.7305 8.7305 8.8584 8.8584 8.9784 8.9784 9.2922 9.2922 9.6387 9.6387 9.6740 9.6740 9.9327 9.9327 9.9355 9.9355 10.3027 10.3027 10.3698 10.3698 10.7485 10.7485 10.7625 10.7625 10.9312 10.9312 11.0822 11.0822 11.2781 11.2781 11.6191 11.6191 11.6370 11.6370 11.8135 11.8135 k = 0.3333 0.5774 0.3374 ( 13734 PWs) bands (ev): -0.6330 -0.6330 -0.6295 -0.6295 -0.4411 -0.4411 0.1983 0.1983 0.6256 0.6256 0.6279 0.6279 1.2131 1.2131 1.9985 1.9985 4.8627 4.8627 4.8967 4.8967 5.3392 5.3392 5.3747 5.3747 5.5190 5.5190 6.0767 6.0767 6.3950 6.3950 6.5326 6.5326 6.6684 6.6684 6.8852 6.8852 6.9557 6.9557 7.1347 7.1347 7.2636 7.2636 7.3787 7.3787 7.5525 7.5525 7.6805 7.6805 7.7828 7.7828 7.7871 7.7871 8.5303 8.5303 8.5333 8.5333 8.7434 8.7434 8.7549 8.7549 8.8908 8.8908 8.9968 8.9968 9.3281 9.3281 9.6828 9.6828 9.7190 9.7190 9.9096 9.9096 9.9141 9.9141 10.3284 10.3284 10.3953 10.3953 10.7489 10.7489 10.7568 10.7568 10.8907 10.8907 11.0542 11.0542 11.2337 11.2337 11.6134 11.6134 11.6321 11.6321 11.7559 11.7559 k = 0.3333 0.5774 0.3633 ( 13734 PWs) bands (ev): -0.6002 -0.6002 -0.5968 -0.5968 -0.4146 -0.4146 0.2016 0.2016 0.5979 0.5979 0.6001 0.6001 1.2141 1.2141 1.9572 1.9572 4.8443 4.8443 4.8809 4.8809 5.3386 5.3386 5.3770 5.3770 5.5073 5.5073 6.0924 6.0924 6.4318 6.4318 6.5603 6.5603 6.6840 6.6840 6.8690 6.8690 6.9397 6.9397 7.0943 7.0943 7.2144 7.2144 7.3502 7.3502 7.5056 7.5056 7.7290 7.7290 7.8014 7.8014 7.8031 7.8031 8.5391 8.5391 8.5413 8.5413 8.7751 8.7751 8.7844 8.7844 8.9238 8.9238 9.0171 9.0171 9.3626 9.3626 9.7188 9.7188 9.7566 9.7566 9.8868 9.8868 9.8906 9.8906 10.3618 10.3618 10.4278 10.4278 10.7521 10.7521 10.7549 10.7549 10.8539 10.8539 11.0306 11.0306 11.1787 11.1787 11.6155 11.6155 11.6345 11.6345 11.7026 11.7026 k = 0.3333 0.5774 0.3893 ( 13734 PWs) bands (ev): -0.5655 -0.5655 -0.5622 -0.5622 -0.3868 -0.3868 0.2036 0.2036 0.5678 0.5678 0.5700 0.5700 1.2160 1.2160 1.9152 1.9152 4.8304 4.8304 4.8693 4.8693 5.3356 5.3356 5.3769 5.3769 5.4981 5.4981 6.1043 6.1043 6.4670 6.4670 6.5852 6.5852 6.7007 6.7007 6.8527 6.8527 6.9248 6.9248 7.0557 7.0557 7.1676 7.1676 7.3211 7.3211 7.4634 7.4634 7.7736 7.7736 7.8123 7.8123 7.8175 7.8175 8.5512 8.5512 8.5521 8.5521 8.8108 8.8108 8.8179 8.8179 8.9579 8.9579 9.0392 9.0392 9.3947 9.3947 9.7394 9.7394 9.7793 9.7793 9.8701 9.8701 9.8708 9.8708 10.4035 10.4035 10.4677 10.4677 10.7571 10.7571 10.7596 10.7596 10.8219 10.8219 11.0121 11.0121 11.1147 11.1147 11.6242 11.6242 11.6414 11.6414 11.6549 11.6549 k = 0.3333 0.5774 0.4152 ( 13731 PWs) bands (ev): -0.5289 -0.5289 -0.5256 -0.5256 -0.3576 -0.3576 0.2041 0.2041 0.5355 0.5355 0.5376 0.5376 1.2190 1.2190 1.8727 1.8727 4.8211 4.8211 4.8621 4.8621 5.3298 5.3298 5.3740 5.3740 5.4919 5.4919 6.1106 6.1106 6.5001 6.5001 6.6065 6.6065 6.7179 6.7179 6.8370 6.8370 6.9115 6.9115 7.0216 7.0216 7.1245 7.1245 7.2920 7.2920 7.4292 7.4292 7.8036 7.8036 7.8139 7.8139 7.8351 7.8351 8.5677 8.5677 8.5684 8.5684 8.8498 8.8498 8.8545 8.8545 8.9937 8.9937 9.0629 9.0629 9.4239 9.4239 9.7362 9.7362 9.7750 9.7750 9.8658 9.8658 9.8665 9.8665 10.4538 10.4538 10.5155 10.5155 10.7608 10.7608 10.7726 10.7726 10.7980 10.7980 10.9991 10.9991 11.0450 11.0450 11.6060 11.6060 11.6378 11.6378 11.6574 11.6574 k = 0.3333 0.5774 0.4412 ( 13737 PWs) bands (ev): -0.4904 -0.4904 -0.4872 -0.4872 -0.3274 -0.3274 0.2028 0.2028 0.5009 0.5009 0.5030 0.5030 1.2234 1.2234 1.8300 1.8300 4.8165 4.8165 4.8595 4.8595 5.3209 5.3209 5.3680 5.3680 5.4891 5.4891 6.1100 6.1100 6.5304 6.5304 6.6238 6.6238 6.7339 6.7339 6.8225 6.8225 6.8994 6.8994 6.9946 6.9946 7.0871 7.0871 7.2636 7.2636 7.4048 7.4048 7.8056 7.8056 7.8069 7.8069 7.8645 7.8645 8.5893 8.5893 8.5915 8.5915 8.8912 8.8912 8.8936 8.8936 9.0322 9.0322 9.0882 9.0882 9.4493 9.4493 9.7123 9.7123 9.7473 9.7473 9.8717 9.8717 9.8724 9.8724 10.5116 10.5116 10.5712 10.5712 10.7500 10.7500 10.7921 10.7921 10.7964 10.7964 10.9737 10.9737 10.9935 10.9935 11.5620 11.5620 11.6546 11.6546 11.6736 11.6736 k = 0.3333 0.5774 0.4671 ( 13749 PWs) bands (ev): -0.4503 -0.4503 -0.4471 -0.4471 -0.2961 -0.2961 0.1993 0.1993 0.4642 0.4642 0.4663 0.4663 1.2294 1.2294 1.7874 1.7874 4.8166 4.8166 4.8614 4.8614 5.3086 5.3086 5.3585 5.3585 5.4901 5.4901 6.1014 6.1014 6.5573 6.5573 6.6370 6.6370 6.7456 6.7456 6.8110 6.8110 6.8877 6.8877 6.9773 6.9773 7.0579 7.0579 7.2361 7.2361 7.3916 7.3916 7.7878 7.7878 7.7953 7.7953 7.8921 7.8921 8.6171 8.6171 8.6204 8.6204 8.9342 8.9342 8.9343 8.9343 9.0742 9.0742 9.1152 9.1152 9.4704 9.4704 9.6779 9.6779 9.7101 9.7101 9.8756 9.8756 9.8776 9.8776 10.5739 10.5739 10.6343 10.6343 10.7227 10.7227 10.8132 10.8132 10.8184 10.8184 10.9138 10.9138 10.9934 10.9934 11.5188 11.5188 11.6728 11.6728 11.6911 11.6911 k = 0.3333 0.5774 0.4931 ( 13731 PWs) bands (ev): -0.4085 -0.4085 -0.4055 -0.4055 -0.2640 -0.2640 0.1935 0.1935 0.4254 0.4254 0.4275 0.4275 1.2373 1.2373 1.7451 1.7451 4.8213 4.8213 4.8678 4.8678 5.2929 5.2929 5.3453 5.3453 5.4952 5.4952 6.0843 6.0843 6.5801 6.5801 6.6460 6.6460 6.7492 6.7492 6.8048 6.8048 6.8745 6.8745 6.9717 6.9717 7.0401 7.0401 7.2105 7.2105 7.3898 7.3898 7.7613 7.7613 7.7738 7.7738 7.9120 7.9120 8.6505 8.6505 8.6544 8.6544 8.9757 8.9757 8.9782 8.9782 9.1203 9.1203 9.1441 9.1441 9.4866 9.4866 9.6394 9.6394 9.6695 9.6695 9.8726 9.8726 9.8769 9.8769 10.6181 10.6181 10.6999 10.6999 10.7040 10.7040 10.8292 10.8292 10.8515 10.8515 10.8843 10.8843 11.0012 11.0012 11.4758 11.4758 11.6901 11.6901 11.7077 11.7077 k = 0.3333 0.5774 0.5190 ( 13743 PWs) bands (ev): -0.3654 -0.3654 -0.3623 -0.3623 -0.2313 -0.2313 0.1852 0.1852 0.3848 0.3848 0.3869 0.3869 1.2473 1.2473 1.7034 1.7034 4.8305 4.8305 4.8787 4.8787 5.2736 5.2736 5.3282 5.3282 5.5046 5.5046 6.0594 6.0594 6.5987 6.5987 6.6511 6.6511 6.7439 6.7439 6.8047 6.8047 6.8577 6.8577 6.9771 6.9771 7.0365 7.0365 7.1880 7.1880 7.3992 7.3992 7.7275 7.7275 7.7443 7.7443 7.9226 7.9226 8.6886 8.6886 8.6925 8.6925 9.0168 9.0168 9.0215 9.0215 9.1655 9.1655 9.1804 9.1804 9.4974 9.4974 9.6003 9.6003 9.6286 9.6286 9.8621 9.8621 9.8687 9.8687 10.5749 10.5749 10.7464 10.7464 10.7787 10.7787 10.8319 10.8319 10.8911 10.8911 10.9012 10.9012 11.0167 11.0167 11.4324 11.4324 11.7043 11.7043 11.7210 11.7210 k = 0.3333 0.5774 0.5450 ( 13743 PWs) bands (ev): -0.3209 -0.3209 -0.3179 -0.3179 -0.1982 -0.1982 0.1743 0.1743 0.3425 0.3425 0.3446 0.3446 1.2594 1.2594 1.6624 1.6624 4.8440 4.8440 4.8938 4.8938 5.2509 5.2509 5.3074 5.3074 5.5182 5.5182 6.0275 6.0275 6.6135 6.6135 6.6526 6.6526 6.7331 6.7331 6.8093 6.8093 6.8371 6.8371 6.9892 6.9892 7.0470 7.0470 7.1711 7.1711 7.4186 7.4186 7.6877 7.6877 7.7083 7.7083 7.9235 7.9235 8.7304 8.7304 8.7338 8.7338 9.0558 9.0558 9.0625 9.0625 9.1989 9.1989 9.2354 9.2355 9.5029 9.5029 9.5634 9.5634 9.5897 9.5897 9.8445 9.8445 9.8531 9.8531 10.4923 10.4923 10.8101 10.8101 10.8489 10.8489 10.8565 10.8565 10.9365 10.9365 10.9390 10.9390 11.0402 11.0402 11.3884 11.3884 11.7130 11.7130 11.7284 11.7284 k = 0.3333 0.5774 0.5709 ( 13737 PWs) bands (ev): -0.2752 -0.2752 -0.2724 -0.2724 -0.1649 -0.1649 0.1606 0.1606 0.2986 0.2986 0.3007 0.3007 1.2739 1.2739 1.6223 1.6223 4.8615 4.8615 4.9129 4.9129 5.2251 5.2251 5.2830 5.2830 5.5362 5.5362 5.9900 5.9900 6.6254 6.6254 6.6517 6.6517 6.7202 6.7202 6.8145 6.8145 6.8177 6.8177 7.0007 7.0007 7.0696 7.0696 7.1640 7.1640 7.4466 7.4466 7.6432 7.6432 7.6673 7.6673 7.9146 7.9146 8.7747 8.7747 8.7772 8.7772 9.0902 9.0902 9.0982 9.0982 9.2299 9.2299 9.2997 9.2997 9.5029 9.5029 9.5319 9.5319 9.5556 9.5556 9.8207 9.8207 9.8305 9.8305 10.3989 10.3989 10.8395 10.8395 10.9140 10.9140 10.9347 10.9347 10.9841 10.9841 10.9877 10.9877 11.0717 11.0717 11.3439 11.3439 11.7141 11.7141 11.7276 11.7277 k = 0.3333 0.5774 0.5969 ( 13755 PWs) bands (ev): -0.2286 -0.2286 -0.2258 -0.2258 -0.1315 -0.1315 0.1442 0.1442 0.2533 0.2533 0.2555 0.2555 1.2909 1.2909 1.5834 1.5834 4.8828 4.8828 4.9356 4.9356 5.1964 5.1964 5.2554 5.2554 5.5585 5.5585 5.9485 5.9485 6.6357 6.6357 6.6496 6.6496 6.7068 6.7068 6.7912 6.7912 6.8294 6.8294 7.0039 7.0039 7.1013 7.1013 7.1720 7.1720 7.4812 7.4812 7.5951 7.5951 7.6228 7.6228 7.8966 7.8966 8.8206 8.8206 8.8220 8.8220 9.1166 9.1166 9.1245 9.1245 9.2608 9.2608 9.3704 9.3704 9.4979 9.4979 9.5101 9.5101 9.5299 9.5299 9.7916 9.7916 9.8021 9.8021 10.3009 10.3009 10.8634 10.8634 10.9912 10.9912 11.0085 11.0085 11.0333 11.0333 11.0455 11.0455 11.1107 11.1107 11.2996 11.2996 11.7069 11.7069 11.7174 11.7175 k = 0.3333 0.5774 0.6228 ( 13773 PWs) bands (ev): -0.1811 -0.1811 -0.1784 -0.1784 -0.0984 -0.0984 0.1252 0.1252 0.2069 0.2069 0.2091 0.2091 1.3103 1.3103 1.5458 1.5458 4.9075 4.9075 4.9617 4.9617 5.1655 5.1655 5.2251 5.2251 5.5849 5.5849 5.9045 5.9045 6.6454 6.6454 6.6477 6.6477 6.6939 6.6939 6.7686 6.7686 6.8440 6.8440 6.9963 6.9963 7.1398 7.1398 7.1959 7.1959 7.5190 7.5190 7.5445 7.5445 7.5777 7.5777 7.8706 7.8706 8.8674 8.8674 8.8676 8.8676 9.1305 9.1305 9.1366 9.1366 9.2916 9.2916 9.4458 9.4458 9.4889 9.4889 9.5026 9.5026 9.5171 9.5171 9.7583 9.7583 9.7686 9.7686 10.2008 10.2008 10.8923 10.8923 11.0620 11.0620 11.0727 11.0727 11.0863 11.0863 11.1102 11.1102 11.1559 11.1559 11.2577 11.2577 11.6904 11.6907 11.6932 11.6933 k = 0.3333 0.5774 0.6488 ( 13767 PWs) bands (ev): -0.1329 -0.1329 -0.1303 -0.1303 -0.0658 -0.0658 0.1037 0.1037 0.1595 0.1595 0.1618 0.1618 1.3321 1.3321 1.5096 1.5096 4.9351 4.9351 4.9906 4.9906 5.1329 5.1329 5.1927 5.1927 5.6153 5.6153 5.8593 5.8593 6.6468 6.6468 6.6555 6.6555 6.6819 6.6819 6.7473 6.7473 6.8610 6.8610 6.9812 6.9812 7.1834 7.1834 7.2313 7.2313 7.4922 7.4922 7.5180 7.5180 7.5732 7.5732 7.8377 7.8377 8.9133 8.9133 8.9143 8.9143 9.1288 9.1288 9.1320 9.1320 9.3220 9.3220 9.4711 9.4711 9.5115 9.5115 9.5178 9.5178 9.5329 9.5329 9.7219 9.7219 9.7313 9.7313 10.1003 10.1003 10.9260 10.9260 11.1129 11.1129 11.1292 11.1292 11.1423 11.1423 11.1731 11.1731 11.2007 11.2007 11.2314 11.2314 11.6141 11.6142 11.6779 11.6785 k = 0.3333 0.5774 0.6747 ( 13752 PWs) bands (ev): -0.0842 -0.0842 -0.0817 -0.0817 -0.0340 -0.0340 0.0798 0.0798 0.1114 0.1114 0.1138 0.1138 1.3563 1.3563 1.4751 1.4751 4.9652 4.9652 5.0218 5.0218 5.0991 5.0991 5.1587 5.1587 5.6493 5.6493 5.8140 5.8140 6.6477 6.6477 6.6666 6.6666 6.6713 6.6713 6.7275 6.7275 6.8797 6.8797 6.9622 6.9622 7.2307 7.2307 7.2737 7.2737 7.4389 7.4389 7.4703 7.4703 7.6167 7.6167 7.7992 7.7992 8.9586 8.9586 8.9604 8.9604 9.1120 9.1120 9.1124 9.1124 9.3516 9.3516 9.4532 9.4532 9.5352 9.5352 9.5370 9.5370 9.6153 9.6153 9.6851 9.6851 9.6912 9.6912 10.0002 10.0002 10.9635 10.9635 11.1201 11.1201 11.1794 11.1794 11.1877 11.1877 11.2226 11.2226 11.2231 11.2231 11.2694 11.2694 11.5369 11.5369 11.6677 11.6682 k = 0.3333 0.5774 0.7007 ( 13746 PWs) bands (ev): -0.0353 -0.0353 -0.0329 -0.0329 -0.0032 -0.0032 0.0535 0.0535 0.0627 0.0627 0.0655 0.0655 1.3829 1.3829 1.4424 1.4424 4.9972 4.9972 5.0549 5.0549 5.0648 5.0648 5.1240 5.1240 5.6867 5.6867 5.7696 5.7696 6.6505 6.6505 6.6625 6.6625 6.6792 6.6792 6.7096 6.7096 6.8997 6.8997 6.9415 6.9415 7.2807 7.2807 7.3203 7.3203 7.3855 7.3855 7.4198 7.4198 7.6637 7.6637 7.7565 7.7565 9.0026 9.0026 9.0050 9.0050 9.0817 9.0817 9.0833 9.0833 9.3800 9.3800 9.4313 9.4313 9.5660 9.5660 9.5688 9.5688 9.6382 9.6382 9.6496 9.6496 9.7129 9.7129 9.9014 9.9014 11.0040 11.0040 11.0874 11.0874 11.2206 11.2206 11.2247 11.2247 11.2466 11.2466 11.2485 11.2485 11.3283 11.3283 11.4630 11.4630 11.6637 11.6651 k = 0.3333 0.5774 0.7266 ( 13758 PWs) bands (ev): 0.0138 0.0138 0.0138 0.0138 0.0158 0.0158 0.0158 0.0158 0.0265 0.0265 0.0265 0.0265 1.4116 1.4116 1.4116 1.4116 5.0306 5.0306 5.0306 5.0306 5.0892 5.0892 5.0892 5.0892 5.7270 5.7270 5.7270 5.7270 6.6555 6.6555 6.6555 6.6555 6.6934 6.6934 6.6934 6.6934 6.9205 6.9205 6.9205 6.9205 7.3325 7.3325 7.3325 7.3325 7.3694 7.3694 7.3694 7.3694 7.7109 7.7109 7.7109 7.7109 9.0442 9.0442 9.0442 9.0442 9.0466 9.0466 9.0466 9.0466 9.4068 9.4068 9.4068 9.4068 9.6013 9.6013 9.6013 9.6013 9.6080 9.6080 9.6080 9.6080 9.8050 9.8050 9.8050 9.8050 11.0460 11.0460 11.0460 11.0460 11.2464 11.2464 11.2464 11.2464 11.2476 11.2476 11.2476 11.2476 11.3932 11.3932 11.3932 11.3932 11.6839 11.6843 Writing output data file Zr5Sb3C.save init_run : 0.51s CPU 0.70s WALL ( 1 calls) electrons : 1247.79s CPU 1339.81s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.04s CPU 0.10s WALL ( 1 calls) Called by electrons: c_bands : 1247.78s CPU 1339.79s 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 : 0.10s CPU 0.13s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.09s CPU 0.16s WALL ( 215 calls) cegterg : 1171.98s CPU 1210.01s WALL ( 1024 calls) Called by sum_band: Called by *egterg: h_psi : 611.10s CPU 648.42s WALL ( 20164 calls) s_psi : 48.96s CPU 48.94s WALL ( 20164 calls) g_psi : 1.09s CPU 1.11s WALL ( 18925 calls) cdiaghg : 443.88s CPU 444.19s WALL ( 19140 calls) cegterg:over : 52.24s CPU 52.64s WALL ( 18925 calls) cegterg:upda : 42.92s CPU 43.43s WALL ( 18925 calls) cegterg:last : 20.36s CPU 20.39s WALL ( 2070 calls) cdiaghg:chol : 18.38s CPU 18.38s WALL ( 19140 calls) cdiaghg:inve : 13.44s CPU 13.59s WALL ( 19140 calls) cdiaghg:para : 25.56s CPU 25.90s WALL ( 38280 calls) Called by h_psi: h_psi:vloc : 492.90s CPU 530.16s WALL ( 20164 calls) h_psi:vnl : 116.78s CPU 116.79s WALL ( 20164 calls) add_vuspsi : 59.03s CPU 59.12s WALL ( 20164 calls) General routines calbec : 57.66s CPU 57.60s WALL ( 20164 calls) fft : 0.02s CPU 0.02s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 471.43s CPU 508.30s WALL ( 2337052 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.24s CPU 53.22s WALL ( 430 calls) Parallel routines fft_scatter : 278.47s CPU 313.13s WALL ( 2337075 calls) PWSCF : 21m41.13s CPU 23m33.17s WALL This run was terminated on: 14:57:45 31Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=