Program PWSCF v.5.3.0 (svn rev. 11974) starts on 27Jan2017 at 19:16:54 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./Zr5Al4.save/ Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 97 97 26 3217 3217 466 Max 98 98 27 3220 3220 471 Sum 3505 3505 967 115837 115837 16915 bravais-lattice index = 14 lattice parameter (alat) = 15.9909 a.u. unit-cell volume = 2424.2461 (a.u.)^3 number of atoms/cell = 18 number of atomic types = 2 number of electrons = 64.00 number of Kohn-Sham states= 76 kinetic-energy cutoff = 50.0000 Ry charge density cutoff = 200.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 15.990861 celldm(2)= 1.000000 celldm(3)= 0.684590 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 0.684590 ) 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 1.460728 ) 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 Al read from file: /users/gautes/Pseudo/Al.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: d344aa71f13a435d235890da883ec65e Pseudo is Ultrasoft + core correction, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1135 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Zr 4.00 91.22400 Zr( 1.00) Al 3.00 26.98150 Al( 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 ) ( 0.3422950 ) 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 ) ( 0.3422950 ) 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 ) ( 0.3422950 ) 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 ) ( 0.3422950 ) 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 ) ( 0.3422950 ) 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 ) ( 0.3422950 ) 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 ) ( 0.3422950 ) 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 ) ( 0.3422950 ) 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 ) ( 0.3422950 ) 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 ) ( 0.3422950 ) 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 ) ( 0.3422950 ) 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 ) ( 0.3422950 ) 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= 213 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0046948 k( 2) = ( 0.0227273 0.0131216 -0.0000000), wk = 0.0046948 k( 3) = ( 0.0454546 0.0262432 -0.0000000), wk = 0.0046948 k( 4) = ( 0.0681818 0.0393648 -0.0000000), wk = 0.0046948 k( 5) = ( 0.0909091 0.0524864 -0.0000000), wk = 0.0046948 k( 6) = ( 0.1136364 0.0656080 -0.0000000), wk = 0.0046948 k( 7) = ( 0.1363636 0.0787296 -0.0000000), wk = 0.0046948 k( 8) = ( 0.1590909 0.0918512 -0.0000000), wk = 0.0046948 k( 9) = ( 0.1818182 0.1049728 -0.0000000), wk = 0.0046948 k( 10) = ( 0.2045454 0.1180944 -0.0000000), wk = 0.0046948 k( 11) = ( 0.2272727 0.1312160 -0.0000000), wk = 0.0046948 k( 12) = ( 0.2500000 0.1443376 -0.0000000), wk = 0.0046948 k( 13) = ( 0.2727273 0.1574592 -0.0000000), wk = 0.0046948 k( 14) = ( 0.2954545 0.1705808 -0.0000000), wk = 0.0046948 k( 15) = ( 0.3181818 0.1837024 -0.0000000), wk = 0.0046948 k( 16) = ( 0.3409091 0.1968240 -0.0000000), wk = 0.0046948 k( 17) = ( 0.3636364 0.2099456 -0.0000000), wk = 0.0046948 k( 18) = ( 0.3863636 0.2230672 -0.0000000), wk = 0.0046948 k( 19) = ( 0.4090909 0.2361887 -0.0000000), wk = 0.0046948 k( 20) = ( 0.4318182 0.2493103 -0.0000000), wk = 0.0046948 k( 21) = ( 0.4545455 0.2624319 -0.0000000), wk = 0.0046948 k( 22) = ( 0.4772727 0.2755535 -0.0000000), wk = 0.0046948 k( 23) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0046948 k( 24) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0046948 k( 25) = ( 0.4871795 0.3108809 -0.0000000), wk = 0.0046948 k( 26) = ( 0.4743590 0.3330867 -0.0000000), wk = 0.0046948 k( 27) = ( 0.4615385 0.3552925 -0.0000000), wk = 0.0046948 k( 28) = ( 0.4487179 0.3774983 -0.0000000), wk = 0.0046948 k( 29) = ( 0.4358974 0.3997040 -0.0000000), wk = 0.0046948 k( 30) = ( 0.4230769 0.4219098 -0.0000000), wk = 0.0046948 k( 31) = ( 0.4102564 0.4441156 -0.0000000), wk = 0.0046948 k( 32) = ( 0.3974359 0.4663214 -0.0000000), wk = 0.0046948 k( 33) = ( 0.3846154 0.4885271 -0.0000000), wk = 0.0046948 k( 34) = ( 0.3717949 0.5107329 -0.0000000), wk = 0.0046948 k( 35) = ( 0.3589744 0.5329387 -0.0000000), wk = 0.0046948 k( 36) = ( 0.3461538 0.5551445 -0.0000000), wk = 0.0046948 k( 37) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0046948 k( 38) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0046948 k( 39) = ( 0.3200000 0.5542563 -0.0000000), wk = 0.0046948 k( 40) = ( 0.3066667 0.5311623 -0.0000000), wk = 0.0046948 k( 41) = ( 0.2933333 0.5080682 -0.0000000), wk = 0.0046948 k( 42) = ( 0.2800000 0.4849742 -0.0000000), wk = 0.0046948 k( 43) = ( 0.2666667 0.4618802 -0.0000000), wk = 0.0046948 k( 44) = ( 0.2533333 0.4387862 -0.0000000), wk = 0.0046948 k( 45) = ( 0.2400000 0.4156922 -0.0000000), wk = 0.0046948 k( 46) = ( 0.2266667 0.3925982 -0.0000000), wk = 0.0046948 k( 47) = ( 0.2133333 0.3695042 -0.0000000), wk = 0.0046948 k( 48) = ( 0.2000000 0.3464102 -0.0000000), wk = 0.0046948 k( 49) = ( 0.1866667 0.3233162 -0.0000000), wk = 0.0046948 k( 50) = ( 0.1733333 0.3002221 -0.0000000), wk = 0.0046948 k( 51) = ( 0.1600000 0.2771281 -0.0000000), wk = 0.0046948 k( 52) = ( 0.1466667 0.2540341 -0.0000000), wk = 0.0046948 k( 53) = ( 0.1333333 0.2309401 -0.0000000), wk = 0.0046948 k( 54) = ( 0.1200000 0.2078461 -0.0000000), wk = 0.0046948 k( 55) = ( 0.1066667 0.1847521 -0.0000000), wk = 0.0046948 k( 56) = ( 0.0933333 0.1616581 -0.0000000), wk = 0.0046948 k( 57) = ( 0.0800000 0.1385641 -0.0000000), wk = 0.0046948 k( 58) = ( 0.0666667 0.1154701 -0.0000000), wk = 0.0046948 k( 59) = ( 0.0533333 0.0923760 -0.0000000), wk = 0.0046948 k( 60) = ( 0.0400000 0.0692820 -0.0000000), wk = 0.0046948 k( 61) = ( 0.0266667 0.0461880 -0.0000000), wk = 0.0046948 k( 62) = ( 0.0133333 0.0230940 -0.0000000), wk = 0.0046948 k( 63) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0046948 k( 64) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0046948 k( 65) = ( 0.0000000 0.0000000 0.0260844), wk = 0.0046948 k( 66) = ( 0.0000000 0.0000000 0.0521689), wk = 0.0046948 k( 67) = ( 0.0000000 0.0000000 0.0782533), wk = 0.0046948 k( 68) = ( 0.0000000 0.0000000 0.1043377), wk = 0.0046948 k( 69) = ( 0.0000000 0.0000000 0.1304222), wk = 0.0046948 k( 70) = ( 0.0000000 0.0000000 0.1565066), wk = 0.0046948 k( 71) = ( 0.0000000 0.0000000 0.1825911), wk = 0.0046948 k( 72) = ( 0.0000000 0.0000000 0.2086755), wk = 0.0046948 k( 73) = ( 0.0000000 0.0000000 0.2347599), wk = 0.0046948 k( 74) = ( 0.0000000 0.0000000 0.2608444), wk = 0.0046948 k( 75) = ( 0.0000000 0.0000000 0.2869288), wk = 0.0046948 k( 76) = ( 0.0000000 0.0000000 0.3130132), wk = 0.0046948 k( 77) = ( 0.0000000 0.0000000 0.3390977), wk = 0.0046948 k( 78) = ( 0.0000000 0.0000000 0.3651821), wk = 0.0046948 k( 79) = ( 0.0000000 0.0000000 0.3912665), wk = 0.0046948 k( 80) = ( 0.0000000 0.0000000 0.4173510), wk = 0.0046948 k( 81) = ( 0.0000000 0.0000000 0.4434354), wk = 0.0046948 k( 82) = ( 0.0000000 0.0000000 0.4695199), wk = 0.0046948 k( 83) = ( 0.0000000 0.0000000 0.4956043), wk = 0.0046948 k( 84) = ( 0.0000000 0.0000000 0.5216887), wk = 0.0046948 k( 85) = ( 0.0000000 0.0000000 0.5477732), wk = 0.0046948 k( 86) = ( 0.0000000 0.0000000 0.5738576), wk = 0.0046948 k( 87) = ( 0.0000000 0.0000000 0.5999421), wk = 0.0046948 k( 88) = ( 0.0000000 0.0000000 0.6260265), wk = 0.0046948 k( 89) = ( 0.0000000 0.0000000 0.6521109), wk = 0.0046948 k( 90) = ( 0.0000000 0.0000000 0.6781954), wk = 0.0046948 k( 91) = ( 0.0000000 0.0000000 0.7042798), wk = 0.0046948 k( 92) = ( 0.0000000 0.0000000 0.7303642), wk = 0.0046948 k( 93) = ( 0.0000000 0.0000000 0.7303642), wk = 0.0046948 k( 94) = ( 0.0227273 0.0131216 0.7303642), wk = 0.0046948 k( 95) = ( 0.0454546 0.0262432 0.7303642), wk = 0.0046948 k( 96) = ( 0.0681818 0.0393648 0.7303642), wk = 0.0046948 k( 97) = ( 0.0909091 0.0524864 0.7303642), wk = 0.0046948 k( 98) = ( 0.1136364 0.0656080 0.7303642), wk = 0.0046948 k( 99) = ( 0.1363636 0.0787296 0.7303642), wk = 0.0046948 k( 100) = ( 0.1590909 0.0918512 0.7303642), wk = 0.0046948 k( 101) = ( 0.1818182 0.1049728 0.7303642), wk = 0.0046948 k( 102) = ( 0.2045454 0.1180944 0.7303642), wk = 0.0046948 k( 103) = ( 0.2272727 0.1312160 0.7303642), wk = 0.0046948 k( 104) = ( 0.2500000 0.1443376 0.7303642), wk = 0.0046948 k( 105) = ( 0.2727273 0.1574592 0.7303642), wk = 0.0046948 k( 106) = ( 0.2954545 0.1705808 0.7303642), wk = 0.0046948 k( 107) = ( 0.3181818 0.1837024 0.7303642), wk = 0.0046948 k( 108) = ( 0.3409091 0.1968240 0.7303642), wk = 0.0046948 k( 109) = ( 0.3636364 0.2099456 0.7303642), wk = 0.0046948 k( 110) = ( 0.3863636 0.2230672 0.7303642), wk = 0.0046948 k( 111) = ( 0.4090909 0.2361887 0.7303642), wk = 0.0046948 k( 112) = ( 0.4318182 0.2493103 0.7303642), wk = 0.0046948 k( 113) = ( 0.4545455 0.2624319 0.7303642), wk = 0.0046948 k( 114) = ( 0.4772727 0.2755535 0.7303642), wk = 0.0046948 k( 115) = ( 0.5000000 0.2886751 0.7303642), wk = 0.0046948 k( 116) = ( 0.5000000 0.2886751 0.7303642), wk = 0.0046948 k( 117) = ( 0.4871795 0.3108809 0.7303642), wk = 0.0046948 k( 118) = ( 0.4743590 0.3330867 0.7303642), wk = 0.0046948 k( 119) = ( 0.4615385 0.3552925 0.7303642), wk = 0.0046948 k( 120) = ( 0.4487179 0.3774983 0.7303642), wk = 0.0046948 k( 121) = ( 0.4358974 0.3997040 0.7303642), wk = 0.0046948 k( 122) = ( 0.4230769 0.4219098 0.7303642), wk = 0.0046948 k( 123) = ( 0.4102564 0.4441156 0.7303642), wk = 0.0046948 k( 124) = ( 0.3974359 0.4663214 0.7303642), wk = 0.0046948 k( 125) = ( 0.3846154 0.4885271 0.7303642), wk = 0.0046948 k( 126) = ( 0.3717949 0.5107329 0.7303642), wk = 0.0046948 k( 127) = ( 0.3589744 0.5329387 0.7303642), wk = 0.0046948 k( 128) = ( 0.3461538 0.5551445 0.7303642), wk = 0.0046948 k( 129) = ( 0.3333333 0.5773503 0.7303642), wk = 0.0046948 k( 130) = ( 0.3333333 0.5773503 0.7303642), wk = 0.0046948 k( 131) = ( 0.3200000 0.5542563 0.7303642), wk = 0.0046948 k( 132) = ( 0.3066667 0.5311623 0.7303642), wk = 0.0046948 k( 133) = ( 0.2933333 0.5080682 0.7303642), wk = 0.0046948 k( 134) = ( 0.2800000 0.4849742 0.7303642), wk = 0.0046948 k( 135) = ( 0.2666667 0.4618802 0.7303642), wk = 0.0046948 k( 136) = ( 0.2533333 0.4387862 0.7303642), wk = 0.0046948 k( 137) = ( 0.2400000 0.4156922 0.7303642), wk = 0.0046948 k( 138) = ( 0.2266667 0.3925982 0.7303642), wk = 0.0046948 k( 139) = ( 0.2133333 0.3695042 0.7303642), wk = 0.0046948 k( 140) = ( 0.2000000 0.3464102 0.7303642), wk = 0.0046948 k( 141) = ( 0.1866667 0.3233162 0.7303642), wk = 0.0046948 k( 142) = ( 0.1733333 0.3002221 0.7303642), wk = 0.0046948 k( 143) = ( 0.1600000 0.2771281 0.7303642), wk = 0.0046948 k( 144) = ( 0.1466667 0.2540341 0.7303642), wk = 0.0046948 k( 145) = ( 0.1333333 0.2309401 0.7303642), wk = 0.0046948 k( 146) = ( 0.1200000 0.2078461 0.7303642), wk = 0.0046948 k( 147) = ( 0.1066667 0.1847521 0.7303642), wk = 0.0046948 k( 148) = ( 0.0933333 0.1616581 0.7303642), wk = 0.0046948 k( 149) = ( 0.0800000 0.1385641 0.7303642), wk = 0.0046948 k( 150) = ( 0.0666667 0.1154701 0.7303642), wk = 0.0046948 k( 151) = ( 0.0533333 0.0923760 0.7303642), wk = 0.0046948 k( 152) = ( 0.0400000 0.0692820 0.7303642), wk = 0.0046948 k( 153) = ( 0.0266667 0.0461880 0.7303642), wk = 0.0046948 k( 154) = ( 0.0133333 0.0230940 0.7303642), wk = 0.0046948 k( 155) = ( 0.0000000 0.0000000 0.7303642), wk = 0.0046948 k( 156) = ( 0.5000000 0.2886751 0.7303642), wk = 0.0046948 k( 157) = ( 0.5000000 0.2886751 0.7042798), wk = 0.0046948 k( 158) = ( 0.5000000 0.2886751 0.6781954), wk = 0.0046948 k( 159) = ( 0.5000000 0.2886751 0.6521109), wk = 0.0046948 k( 160) = ( 0.5000000 0.2886751 0.6260265), wk = 0.0046948 k( 161) = ( 0.5000000 0.2886751 0.5999421), wk = 0.0046948 k( 162) = ( 0.5000000 0.2886751 0.5738576), wk = 0.0046948 k( 163) = ( 0.5000000 0.2886751 0.5477732), wk = 0.0046948 k( 164) = ( 0.5000000 0.2886751 0.5216887), wk = 0.0046948 k( 165) = ( 0.5000000 0.2886751 0.4956043), wk = 0.0046948 k( 166) = ( 0.5000000 0.2886751 0.4695199), wk = 0.0046948 k( 167) = ( 0.5000000 0.2886751 0.4434354), wk = 0.0046948 k( 168) = ( 0.5000000 0.2886751 0.4173510), wk = 0.0046948 k( 169) = ( 0.5000000 0.2886751 0.3912665), wk = 0.0046948 k( 170) = ( 0.5000000 0.2886751 0.3651821), wk = 0.0046948 k( 171) = ( 0.5000000 0.2886751 0.3390977), wk = 0.0046948 k( 172) = ( 0.5000000 0.2886751 0.3130132), wk = 0.0046948 k( 173) = ( 0.5000000 0.2886751 0.2869288), wk = 0.0046948 k( 174) = ( 0.5000000 0.2886751 0.2608444), wk = 0.0046948 k( 175) = ( 0.5000000 0.2886751 0.2347599), wk = 0.0046948 k( 176) = ( 0.5000000 0.2886751 0.2086755), wk = 0.0046948 k( 177) = ( 0.5000000 0.2886751 0.1825911), wk = 0.0046948 k( 178) = ( 0.5000000 0.2886751 0.1565066), wk = 0.0046948 k( 179) = ( 0.5000000 0.2886751 0.1304222), wk = 0.0046948 k( 180) = ( 0.5000000 0.2886751 0.1043377), wk = 0.0046948 k( 181) = ( 0.5000000 0.2886751 0.0782533), wk = 0.0046948 k( 182) = ( 0.5000000 0.2886751 0.0521689), wk = 0.0046948 k( 183) = ( 0.5000000 0.2886751 0.0260844), wk = 0.0046948 k( 184) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0046948 k( 185) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0046948 k( 186) = ( 0.3333333 0.5773503 0.0260844), wk = 0.0046948 k( 187) = ( 0.3333333 0.5773503 0.0521689), wk = 0.0046948 k( 188) = ( 0.3333333 0.5773503 0.0782533), wk = 0.0046948 k( 189) = ( 0.3333333 0.5773503 0.1043377), wk = 0.0046948 k( 190) = ( 0.3333333 0.5773503 0.1304222), wk = 0.0046948 k( 191) = ( 0.3333333 0.5773503 0.1565066), wk = 0.0046948 k( 192) = ( 0.3333333 0.5773503 0.1825911), wk = 0.0046948 k( 193) = ( 0.3333333 0.5773503 0.2086755), wk = 0.0046948 k( 194) = ( 0.3333333 0.5773503 0.2347599), wk = 0.0046948 k( 195) = ( 0.3333333 0.5773503 0.2608444), wk = 0.0046948 k( 196) = ( 0.3333333 0.5773503 0.2869288), wk = 0.0046948 k( 197) = ( 0.3333333 0.5773503 0.3130132), wk = 0.0046948 k( 198) = ( 0.3333333 0.5773503 0.3390977), wk = 0.0046948 k( 199) = ( 0.3333333 0.5773503 0.3651821), wk = 0.0046948 k( 200) = ( 0.3333333 0.5773503 0.3912665), wk = 0.0046948 k( 201) = ( 0.3333333 0.5773503 0.4173510), wk = 0.0046948 k( 202) = ( 0.3333333 0.5773503 0.4434354), wk = 0.0046948 k( 203) = ( 0.3333333 0.5773503 0.4695199), wk = 0.0046948 k( 204) = ( 0.3333333 0.5773503 0.4956043), wk = 0.0046948 k( 205) = ( 0.3333333 0.5773503 0.5216887), wk = 0.0046948 k( 206) = ( 0.3333333 0.5773503 0.5477732), wk = 0.0046948 k( 207) = ( 0.3333333 0.5773503 0.5738576), wk = 0.0046948 k( 208) = ( 0.3333333 0.5773503 0.5999421), wk = 0.0046948 k( 209) = ( 0.3333333 0.5773503 0.6260265), wk = 0.0046948 k( 210) = ( 0.3333333 0.5773503 0.6521109), wk = 0.0046948 k( 211) = ( 0.3333333 0.5773503 0.6781954), wk = 0.0046948 k( 212) = ( 0.3333333 0.5773503 0.7042798), wk = 0.0046948 k( 213) = ( 0.3333333 0.5773503 0.7303642), wk = 0.0046948 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0046948 k( 2) = ( 0.0227273 -0.0000000 -0.0000000), wk = 0.0046948 k( 3) = ( 0.0454546 -0.0000000 -0.0000000), wk = 0.0046948 k( 4) = ( 0.0681818 -0.0000000 -0.0000000), wk = 0.0046948 k( 5) = ( 0.0909091 -0.0000000 0.0000000), wk = 0.0046948 k( 6) = ( 0.1136364 -0.0000000 -0.0000000), wk = 0.0046948 k( 7) = ( 0.1363636 -0.0000000 -0.0000000), wk = 0.0046948 k( 8) = ( 0.1590909 -0.0000000 0.0000000), wk = 0.0046948 k( 9) = ( 0.1818182 -0.0000000 0.0000000), wk = 0.0046948 k( 10) = ( 0.2045454 -0.0000000 -0.0000000), wk = 0.0046948 k( 11) = ( 0.2272727 -0.0000000 0.0000000), wk = 0.0046948 k( 12) = ( 0.2500000 -0.0000000 -0.0000000), wk = 0.0046948 k( 13) = ( 0.2727273 -0.0000000 -0.0000000), wk = 0.0046948 k( 14) = ( 0.2954545 -0.0000000 -0.0000000), wk = 0.0046948 k( 15) = ( 0.3181818 -0.0000000 0.0000000), wk = 0.0046948 k( 16) = ( 0.3409091 -0.0000000 -0.0000000), wk = 0.0046948 k( 17) = ( 0.3636364 -0.0000000 0.0000000), wk = 0.0046948 k( 18) = ( 0.3863636 -0.0000000 -0.0000000), wk = 0.0046948 k( 19) = ( 0.4090909 -0.0000000 -0.0000000), wk = 0.0046948 k( 20) = ( 0.4318182 -0.0000000 -0.0000000), wk = 0.0046948 k( 21) = ( 0.4545455 -0.0000000 0.0000000), wk = 0.0046948 k( 22) = ( 0.4772727 -0.0000000 0.0000000), wk = 0.0046948 k( 23) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0046948 k( 24) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0046948 k( 25) = ( 0.4871795 0.0256410 -0.0000000), wk = 0.0046948 k( 26) = ( 0.4743590 0.0512820 -0.0000000), wk = 0.0046948 k( 27) = ( 0.4615385 0.0769231 -0.0000000), wk = 0.0046948 k( 28) = ( 0.4487179 0.1025641 -0.0000000), wk = 0.0046948 k( 29) = ( 0.4358974 0.1282051 0.0000000), wk = 0.0046948 k( 30) = ( 0.4230769 0.1538461 -0.0000000), wk = 0.0046948 k( 31) = ( 0.4102564 0.1794872 0.0000000), wk = 0.0046948 k( 32) = ( 0.3974359 0.2051282 0.0000000), wk = 0.0046948 k( 33) = ( 0.3846154 0.2307692 -0.0000000), wk = 0.0046948 k( 34) = ( 0.3717949 0.2564103 -0.0000000), wk = 0.0046948 k( 35) = ( 0.3589744 0.2820513 0.0000000), wk = 0.0046948 k( 36) = ( 0.3461538 0.3076923 0.0000000), wk = 0.0046948 k( 37) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0046948 k( 38) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0046948 k( 39) = ( 0.3200000 0.3200000 0.0000000), wk = 0.0046948 k( 40) = ( 0.3066667 0.3066667 -0.0000000), wk = 0.0046948 k( 41) = ( 0.2933333 0.2933333 -0.0000000), wk = 0.0046948 k( 42) = ( 0.2800000 0.2800000 0.0000000), wk = 0.0046948 k( 43) = ( 0.2666667 0.2666667 0.0000000), wk = 0.0046948 k( 44) = ( 0.2533333 0.2533333 -0.0000000), wk = 0.0046948 k( 45) = ( 0.2400000 0.2400000 0.0000000), wk = 0.0046948 k( 46) = ( 0.2266667 0.2266667 0.0000000), wk = 0.0046948 k( 47) = ( 0.2133333 0.2133333 -0.0000000), wk = 0.0046948 k( 48) = ( 0.2000000 0.2000000 -0.0000000), wk = 0.0046948 k( 49) = ( 0.1866667 0.1866667 -0.0000000), wk = 0.0046948 k( 50) = ( 0.1733333 0.1733333 -0.0000000), wk = 0.0046948 k( 51) = ( 0.1600000 0.1600000 0.0000000), wk = 0.0046948 k( 52) = ( 0.1466667 0.1466667 0.0000000), wk = 0.0046948 k( 53) = ( 0.1333333 0.1333333 0.0000000), wk = 0.0046948 k( 54) = ( 0.1200000 0.1200000 0.0000000), wk = 0.0046948 k( 55) = ( 0.1066667 0.1066667 0.0000000), wk = 0.0046948 k( 56) = ( 0.0933333 0.0933333 -0.0000000), wk = 0.0046948 k( 57) = ( 0.0800000 0.0800000 0.0000000), wk = 0.0046948 k( 58) = ( 0.0666667 0.0666667 0.0000000), wk = 0.0046948 k( 59) = ( 0.0533333 0.0533333 0.0000000), wk = 0.0046948 k( 60) = ( 0.0400000 0.0400000 0.0000000), wk = 0.0046948 k( 61) = ( 0.0266667 0.0266667 0.0000000), wk = 0.0046948 k( 62) = ( 0.0133333 0.0133333 0.0000000), wk = 0.0046948 k( 63) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0046948 k( 64) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0046948 k( 65) = ( 0.0000000 0.0000000 0.0178571), wk = 0.0046948 k( 66) = ( 0.0000000 0.0000000 0.0357143), wk = 0.0046948 k( 67) = ( 0.0000000 0.0000000 0.0535714), wk = 0.0046948 k( 68) = ( 0.0000000 0.0000000 0.0714286), wk = 0.0046948 k( 69) = ( 0.0000000 0.0000000 0.0892857), wk = 0.0046948 k( 70) = ( 0.0000000 0.0000000 0.1071429), wk = 0.0046948 k( 71) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0046948 k( 72) = ( 0.0000000 0.0000000 0.1428571), wk = 0.0046948 k( 73) = ( 0.0000000 0.0000000 0.1607143), wk = 0.0046948 k( 74) = ( 0.0000000 0.0000000 0.1785714), wk = 0.0046948 k( 75) = ( 0.0000000 0.0000000 0.1964286), wk = 0.0046948 k( 76) = ( 0.0000000 0.0000000 0.2142857), wk = 0.0046948 k( 77) = ( 0.0000000 0.0000000 0.2321429), wk = 0.0046948 k( 78) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0046948 k( 79) = ( 0.0000000 0.0000000 0.2678571), wk = 0.0046948 k( 80) = ( 0.0000000 0.0000000 0.2857143), wk = 0.0046948 k( 81) = ( 0.0000000 0.0000000 0.3035714), wk = 0.0046948 k( 82) = ( 0.0000000 0.0000000 0.3214286), wk = 0.0046948 k( 83) = ( 0.0000000 0.0000000 0.3392857), wk = 0.0046948 k( 84) = ( 0.0000000 0.0000000 0.3571429), wk = 0.0046948 k( 85) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0046948 k( 86) = ( 0.0000000 0.0000000 0.3928571), wk = 0.0046948 k( 87) = ( 0.0000000 0.0000000 0.4107143), wk = 0.0046948 k( 88) = ( 0.0000000 0.0000000 0.4285714), wk = 0.0046948 k( 89) = ( 0.0000000 0.0000000 0.4464286), wk = 0.0046948 k( 90) = ( 0.0000000 0.0000000 0.4642857), wk = 0.0046948 k( 91) = ( 0.0000000 0.0000000 0.4821429), wk = 0.0046948 k( 92) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0046948 k( 93) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0046948 k( 94) = ( 0.0227273 -0.0000000 0.5000000), wk = 0.0046948 k( 95) = ( 0.0454546 -0.0000000 0.5000000), wk = 0.0046948 k( 96) = ( 0.0681818 -0.0000000 0.5000000), wk = 0.0046948 k( 97) = ( 0.0909091 -0.0000000 0.5000000), wk = 0.0046948 k( 98) = ( 0.1136364 -0.0000000 0.5000000), wk = 0.0046948 k( 99) = ( 0.1363636 -0.0000000 0.5000000), wk = 0.0046948 k( 100) = ( 0.1590909 -0.0000000 0.5000000), wk = 0.0046948 k( 101) = ( 0.1818182 -0.0000000 0.5000000), wk = 0.0046948 k( 102) = ( 0.2045454 -0.0000000 0.5000000), wk = 0.0046948 k( 103) = ( 0.2272727 -0.0000000 0.5000000), wk = 0.0046948 k( 104) = ( 0.2500000 -0.0000000 0.5000000), wk = 0.0046948 k( 105) = ( 0.2727273 -0.0000000 0.5000000), wk = 0.0046948 k( 106) = ( 0.2954545 -0.0000000 0.5000000), wk = 0.0046948 k( 107) = ( 0.3181818 -0.0000000 0.5000000), wk = 0.0046948 k( 108) = ( 0.3409091 -0.0000000 0.5000000), wk = 0.0046948 k( 109) = ( 0.3636364 -0.0000000 0.5000000), wk = 0.0046948 k( 110) = ( 0.3863636 -0.0000000 0.5000000), wk = 0.0046948 k( 111) = ( 0.4090909 -0.0000000 0.5000000), wk = 0.0046948 k( 112) = ( 0.4318182 -0.0000000 0.5000000), wk = 0.0046948 k( 113) = ( 0.4545455 -0.0000000 0.5000000), wk = 0.0046948 k( 114) = ( 0.4772727 -0.0000000 0.5000000), wk = 0.0046948 k( 115) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0046948 k( 116) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0046948 k( 117) = ( 0.4871795 0.0256410 0.5000000), wk = 0.0046948 k( 118) = ( 0.4743590 0.0512820 0.5000000), wk = 0.0046948 k( 119) = ( 0.4615385 0.0769231 0.5000000), wk = 0.0046948 k( 120) = ( 0.4487179 0.1025641 0.5000000), wk = 0.0046948 k( 121) = ( 0.4358974 0.1282051 0.5000000), wk = 0.0046948 k( 122) = ( 0.4230769 0.1538461 0.5000000), wk = 0.0046948 k( 123) = ( 0.4102564 0.1794872 0.5000000), wk = 0.0046948 k( 124) = ( 0.3974359 0.2051282 0.5000000), wk = 0.0046948 k( 125) = ( 0.3846154 0.2307692 0.5000000), wk = 0.0046948 k( 126) = ( 0.3717949 0.2564103 0.5000000), wk = 0.0046948 k( 127) = ( 0.3589744 0.2820513 0.5000000), wk = 0.0046948 k( 128) = ( 0.3461538 0.3076923 0.5000000), wk = 0.0046948 k( 129) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0046948 k( 130) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0046948 k( 131) = ( 0.3200000 0.3200000 0.5000000), wk = 0.0046948 k( 132) = ( 0.3066667 0.3066667 0.5000000), wk = 0.0046948 k( 133) = ( 0.2933333 0.2933333 0.5000000), wk = 0.0046948 k( 134) = ( 0.2800000 0.2800000 0.5000000), wk = 0.0046948 k( 135) = ( 0.2666667 0.2666667 0.5000000), wk = 0.0046948 k( 136) = ( 0.2533333 0.2533333 0.5000000), wk = 0.0046948 k( 137) = ( 0.2400000 0.2400000 0.5000000), wk = 0.0046948 k( 138) = ( 0.2266667 0.2266667 0.5000000), wk = 0.0046948 k( 139) = ( 0.2133333 0.2133333 0.5000000), wk = 0.0046948 k( 140) = ( 0.2000000 0.2000000 0.5000000), wk = 0.0046948 k( 141) = ( 0.1866667 0.1866667 0.5000000), wk = 0.0046948 k( 142) = ( 0.1733333 0.1733333 0.5000000), wk = 0.0046948 k( 143) = ( 0.1600000 0.1600000 0.5000000), wk = 0.0046948 k( 144) = ( 0.1466667 0.1466667 0.5000000), wk = 0.0046948 k( 145) = ( 0.1333333 0.1333333 0.5000000), wk = 0.0046948 k( 146) = ( 0.1200000 0.1200000 0.5000000), wk = 0.0046948 k( 147) = ( 0.1066667 0.1066667 0.5000000), wk = 0.0046948 k( 148) = ( 0.0933333 0.0933333 0.5000000), wk = 0.0046948 k( 149) = ( 0.0800000 0.0800000 0.5000000), wk = 0.0046948 k( 150) = ( 0.0666667 0.0666667 0.5000000), wk = 0.0046948 k( 151) = ( 0.0533333 0.0533333 0.5000000), wk = 0.0046948 k( 152) = ( 0.0400000 0.0400000 0.5000000), wk = 0.0046948 k( 153) = ( 0.0266667 0.0266667 0.5000000), wk = 0.0046948 k( 154) = ( 0.0133333 0.0133333 0.5000000), wk = 0.0046948 k( 155) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0046948 k( 156) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0046948 k( 157) = ( 0.5000000 -0.0000000 0.4821429), wk = 0.0046948 k( 158) = ( 0.5000000 -0.0000000 0.4642857), wk = 0.0046948 k( 159) = ( 0.5000000 -0.0000000 0.4464286), wk = 0.0046948 k( 160) = ( 0.5000000 -0.0000000 0.4285714), wk = 0.0046948 k( 161) = ( 0.5000000 -0.0000000 0.4107143), wk = 0.0046948 k( 162) = ( 0.5000000 -0.0000000 0.3928571), wk = 0.0046948 k( 163) = ( 0.5000000 -0.0000000 0.3750000), wk = 0.0046948 k( 164) = ( 0.5000000 -0.0000000 0.3571429), wk = 0.0046948 k( 165) = ( 0.5000000 -0.0000000 0.3392857), wk = 0.0046948 k( 166) = ( 0.5000000 -0.0000000 0.3214286), wk = 0.0046948 k( 167) = ( 0.5000000 -0.0000000 0.3035714), wk = 0.0046948 k( 168) = ( 0.5000000 -0.0000000 0.2857143), wk = 0.0046948 k( 169) = ( 0.5000000 -0.0000000 0.2678571), wk = 0.0046948 k( 170) = ( 0.5000000 -0.0000000 0.2500000), wk = 0.0046948 k( 171) = ( 0.5000000 -0.0000000 0.2321429), wk = 0.0046948 k( 172) = ( 0.5000000 -0.0000000 0.2142857), wk = 0.0046948 k( 173) = ( 0.5000000 -0.0000000 0.1964286), wk = 0.0046948 k( 174) = ( 0.5000000 -0.0000000 0.1785714), wk = 0.0046948 k( 175) = ( 0.5000000 -0.0000000 0.1607143), wk = 0.0046948 k( 176) = ( 0.5000000 -0.0000000 0.1428571), wk = 0.0046948 k( 177) = ( 0.5000000 -0.0000000 0.1250000), wk = 0.0046948 k( 178) = ( 0.5000000 -0.0000000 0.1071429), wk = 0.0046948 k( 179) = ( 0.5000000 -0.0000000 0.0892857), wk = 0.0046948 k( 180) = ( 0.5000000 -0.0000000 0.0714286), wk = 0.0046948 k( 181) = ( 0.5000000 -0.0000000 0.0535714), wk = 0.0046948 k( 182) = ( 0.5000000 -0.0000000 0.0357143), wk = 0.0046948 k( 183) = ( 0.5000000 -0.0000000 0.0178571), wk = 0.0046948 k( 184) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0046948 k( 185) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0046948 k( 186) = ( 0.3333333 0.3333333 0.0178571), wk = 0.0046948 k( 187) = ( 0.3333333 0.3333333 0.0357143), wk = 0.0046948 k( 188) = ( 0.3333333 0.3333333 0.0535714), wk = 0.0046948 k( 189) = ( 0.3333333 0.3333333 0.0714286), wk = 0.0046948 k( 190) = ( 0.3333333 0.3333333 0.0892857), wk = 0.0046948 k( 191) = ( 0.3333333 0.3333333 0.1071429), wk = 0.0046948 k( 192) = ( 0.3333333 0.3333333 0.1250000), wk = 0.0046948 k( 193) = ( 0.3333333 0.3333333 0.1428571), wk = 0.0046948 k( 194) = ( 0.3333333 0.3333333 0.1607143), wk = 0.0046948 k( 195) = ( 0.3333333 0.3333333 0.1785714), wk = 0.0046948 k( 196) = ( 0.3333333 0.3333333 0.1964286), wk = 0.0046948 k( 197) = ( 0.3333333 0.3333333 0.2142857), wk = 0.0046948 k( 198) = ( 0.3333333 0.3333333 0.2321429), wk = 0.0046948 k( 199) = ( 0.3333333 0.3333333 0.2500000), wk = 0.0046948 k( 200) = ( 0.3333333 0.3333333 0.2678571), wk = 0.0046948 k( 201) = ( 0.3333333 0.3333333 0.2857143), wk = 0.0046948 k( 202) = ( 0.3333333 0.3333333 0.3035714), wk = 0.0046948 k( 203) = ( 0.3333333 0.3333333 0.3214286), wk = 0.0046948 k( 204) = ( 0.3333333 0.3333333 0.3392857), wk = 0.0046948 k( 205) = ( 0.3333333 0.3333333 0.3571429), wk = 0.0046948 k( 206) = ( 0.3333333 0.3333333 0.3750000), wk = 0.0046948 k( 207) = ( 0.3333333 0.3333333 0.3928571), wk = 0.0046948 k( 208) = ( 0.3333333 0.3333333 0.4107143), wk = 0.0046948 k( 209) = ( 0.3333333 0.3333333 0.4285714), wk = 0.0046948 k( 210) = ( 0.3333333 0.3333333 0.4464286), wk = 0.0046948 k( 211) = ( 0.3333333 0.3333333 0.4642857), wk = 0.0046948 k( 212) = ( 0.3333333 0.3333333 0.4821429), wk = 0.0046948 k( 213) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0046948 Dense grid: 115837 G-vectors FFT dimensions: ( 72, 72, 50) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.95 Mb ( 820, 76) NL pseudopotentials 2.70 Mb ( 410, 432) Each V/rho on FFT grid 0.16 Mb ( 10368) Each G-vector array 0.02 Mb ( 3220) G-vector shells 0.01 Mb ( 1474) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 3.80 Mb ( 820, 304) Each subspace H/S matrix 0.09 Mb ( 76, 76) Each matrix 1.00 Mb ( 432, 2, 76) The potential is recalculated from file : ./Zr5Al4.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 6.2 secs Computing kpt #: 2 total cpu time spent up to now is 11.2 secs Computing kpt #: 3 total cpu time spent up to now is 16.8 secs Computing kpt #: 4 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 23.1 secs Computing kpt #: 5 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 29.4 secs Computing kpt #: 6 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 35.7 secs Computing kpt #: 7 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 42.0 secs Computing kpt #: 8 total cpu time spent up to now is 47.4 secs Computing kpt #: 9 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 53.7 secs Computing kpt #: 10 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 60.0 secs Computing kpt #: 11 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 66.3 secs Computing kpt #: 12 total cpu time spent up to now is 72.5 secs Computing kpt #: 13 total cpu time spent up to now is 78.7 secs Computing kpt #: 14 total cpu time spent up to now is 84.6 secs Computing kpt #: 15 total cpu time spent up to now is 90.1 secs Computing kpt #: 16 total cpu time spent up to now is 96.0 secs Computing kpt #: 17 total cpu time spent up to now is 100.8 secs Computing kpt #: 18 total cpu time spent up to now is 105.4 secs Computing kpt #: 19 total cpu time spent up to now is 109.9 secs Computing kpt #: 20 total cpu time spent up to now is 114.4 secs Computing kpt #: 21 total cpu time spent up to now is 118.8 secs Computing kpt #: 22 total cpu time spent up to now is 123.3 secs Computing kpt #: 23 total cpu time spent up to now is 127.7 secs Computing kpt #: 24 total cpu time spent up to now is 132.1 secs Computing kpt #: 25 total cpu time spent up to now is 136.5 secs Computing kpt #: 26 total cpu time spent up to now is 141.0 secs Computing kpt #: 27 total cpu time spent up to now is 145.6 secs Computing kpt #: 28 total cpu time spent up to now is 150.1 secs Computing kpt #: 29 total cpu time spent up to now is 154.8 secs Computing kpt #: 30 total cpu time spent up to now is 159.5 secs Computing kpt #: 31 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 166.0 secs Computing kpt #: 32 total cpu time spent up to now is 170.5 secs Computing kpt #: 33 total cpu time spent up to now is 175.4 secs Computing kpt #: 34 total cpu time spent up to now is 180.4 secs Computing kpt #: 35 total cpu time spent up to now is 184.8 secs Computing kpt #: 36 total cpu time spent up to now is 189.4 secs Computing kpt #: 37 total cpu time spent up to now is 194.4 secs Computing kpt #: 38 total cpu time spent up to now is 199.3 secs Computing kpt #: 39 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 205.8 secs Computing kpt #: 40 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 212.3 secs Computing kpt #: 41 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 218.9 secs Computing kpt #: 42 c_bands: 3 eigenvalues not converged total cpu time spent up to now is 225.6 secs Computing kpt #: 43 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 232.7 secs Computing kpt #: 44 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 239.2 secs Computing kpt #: 45 total cpu time spent up to now is 245.3 secs Computing kpt #: 46 total cpu time spent up to now is 250.0 secs Computing kpt #: 47 total cpu time spent up to now is 254.3 secs Computing kpt #: 48 total cpu time spent up to now is 258.5 secs Computing kpt #: 49 total cpu time spent up to now is 262.7 secs Computing kpt #: 50 total cpu time spent up to now is 267.0 secs Computing kpt #: 51 total cpu time spent up to now is 271.4 secs Computing kpt #: 52 total cpu time spent up to now is 275.7 secs Computing kpt #: 53 total cpu time spent up to now is 280.0 secs Computing kpt #: 54 total cpu time spent up to now is 284.7 secs Computing kpt #: 55 total cpu time spent up to now is 290.1 secs Computing kpt #: 56 total cpu time spent up to now is 295.9 secs Computing kpt #: 57 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 302.3 secs Computing kpt #: 58 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 308.6 secs Computing kpt #: 59 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 314.9 secs Computing kpt #: 60 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 321.2 secs Computing kpt #: 61 total cpu time spent up to now is 326.7 secs Computing kpt #: 62 total cpu time spent up to now is 331.4 secs Computing kpt #: 63 total cpu time spent up to now is 336.7 secs Computing kpt #: 64 total cpu time spent up to now is 341.7 secs Computing kpt #: 65 total cpu time spent up to now is 347.4 secs Computing kpt #: 66 total cpu time spent up to now is 352.3 secs Computing kpt #: 67 total cpu time spent up to now is 356.5 secs Computing kpt #: 68 total cpu time spent up to now is 360.6 secs Computing kpt #: 69 total cpu time spent up to now is 364.5 secs Computing kpt #: 70 total cpu time spent up to now is 368.2 secs Computing kpt #: 71 total cpu time spent up to now is 371.9 secs Computing kpt #: 72 total cpu time spent up to now is 375.6 secs Computing kpt #: 73 total cpu time spent up to now is 379.2 secs Computing kpt #: 74 total cpu time spent up to now is 382.8 secs Computing kpt #: 75 total cpu time spent up to now is 386.4 secs Computing kpt #: 76 total cpu time spent up to now is 390.0 secs Computing kpt #: 77 total cpu time spent up to now is 393.6 secs Computing kpt #: 78 total cpu time spent up to now is 397.1 secs Computing kpt #: 79 total cpu time spent up to now is 400.7 secs Computing kpt #: 80 total cpu time spent up to now is 404.3 secs Computing kpt #: 81 total cpu time spent up to now is 407.9 secs Computing kpt #: 82 total cpu time spent up to now is 411.5 secs Computing kpt #: 83 total cpu time spent up to now is 415.2 secs Computing kpt #: 84 total cpu time spent up to now is 418.8 secs Computing kpt #: 85 total cpu time spent up to now is 422.4 secs Computing kpt #: 86 total cpu time spent up to now is 425.9 secs Computing kpt #: 87 total cpu time spent up to now is 429.6 secs Computing kpt #: 88 total cpu time spent up to now is 433.1 secs Computing kpt #: 89 total cpu time spent up to now is 436.6 secs Computing kpt #: 90 total cpu time spent up to now is 440.1 secs Computing kpt #: 91 total cpu time spent up to now is 443.6 secs Computing kpt #: 92 total cpu time spent up to now is 447.0 secs Computing kpt #: 93 total cpu time spent up to now is 450.4 secs Computing kpt #: 94 total cpu time spent up to now is 453.9 secs Computing kpt #: 95 total cpu time spent up to now is 457.4 secs Computing kpt #: 96 total cpu time spent up to now is 461.0 secs Computing kpt #: 97 total cpu time spent up to now is 464.7 secs Computing kpt #: 98 total cpu time spent up to now is 468.4 secs Computing kpt #: 99 total cpu time spent up to now is 472.2 secs Computing kpt #: 100 total cpu time spent up to now is 476.0 secs Computing kpt #: 101 total cpu time spent up to now is 479.8 secs Computing kpt #: 102 total cpu time spent up to now is 483.7 secs Computing kpt #: 103 total cpu time spent up to now is 487.7 secs Computing kpt #: 104 total cpu time spent up to now is 491.7 secs Computing kpt #: 105 total cpu time spent up to now is 495.7 secs Computing kpt #: 106 total cpu time spent up to now is 499.8 secs Computing kpt #: 107 total cpu time spent up to now is 504.0 secs Computing kpt #: 108 total cpu time spent up to now is 508.4 secs Computing kpt #: 109 total cpu time spent up to now is 512.9 secs Computing kpt #: 110 total cpu time spent up to now is 517.5 secs Computing kpt #: 111 total cpu time spent up to now is 522.2 secs Computing kpt #: 112 total cpu time spent up to now is 526.8 secs Computing kpt #: 113 total cpu time spent up to now is 531.9 secs Computing kpt #: 114 total cpu time spent up to now is 536.3 secs Computing kpt #: 115 total cpu time spent up to now is 540.7 secs Computing kpt #: 116 total cpu time spent up to now is 545.1 secs Computing kpt #: 117 total cpu time spent up to now is 549.8 secs Computing kpt #: 118 total cpu time spent up to now is 554.2 secs Computing kpt #: 119 total cpu time spent up to now is 558.6 secs Computing kpt #: 120 total cpu time spent up to now is 562.7 secs Computing kpt #: 121 total cpu time spent up to now is 566.9 secs Computing kpt #: 122 total cpu time spent up to now is 571.0 secs Computing kpt #: 123 total cpu time spent up to now is 575.1 secs Computing kpt #: 124 total cpu time spent up to now is 579.1 secs Computing kpt #: 125 total cpu time spent up to now is 583.1 secs Computing kpt #: 126 total cpu time spent up to now is 587.2 secs Computing kpt #: 127 total cpu time spent up to now is 591.1 secs Computing kpt #: 128 total cpu time spent up to now is 595.1 secs Computing kpt #: 129 total cpu time spent up to now is 598.9 secs Computing kpt #: 130 total cpu time spent up to now is 602.8 secs Computing kpt #: 131 total cpu time spent up to now is 606.7 secs Computing kpt #: 132 total cpu time spent up to now is 610.7 secs Computing kpt #: 133 total cpu time spent up to now is 614.7 secs Computing kpt #: 134 total cpu time spent up to now is 618.6 secs Computing kpt #: 135 total cpu time spent up to now is 622.6 secs Computing kpt #: 136 total cpu time spent up to now is 626.6 secs Computing kpt #: 137 total cpu time spent up to now is 630.6 secs Computing kpt #: 138 total cpu time spent up to now is 634.7 secs Computing kpt #: 139 total cpu time spent up to now is 638.8 secs Computing kpt #: 140 total cpu time spent up to now is 642.8 secs Computing kpt #: 141 total cpu time spent up to now is 646.7 secs Computing kpt #: 142 total cpu time spent up to now is 650.7 secs Computing kpt #: 143 total cpu time spent up to now is 654.7 secs Computing kpt #: 144 total cpu time spent up to now is 658.7 secs Computing kpt #: 145 total cpu time spent up to now is 662.6 secs Computing kpt #: 146 total cpu time spent up to now is 666.7 secs Computing kpt #: 147 total cpu time spent up to now is 670.5 secs Computing kpt #: 148 total cpu time spent up to now is 674.3 secs Computing kpt #: 149 total cpu time spent up to now is 678.0 secs Computing kpt #: 150 total cpu time spent up to now is 682.3 secs Computing kpt #: 151 total cpu time spent up to now is 686.0 secs Computing kpt #: 152 total cpu time spent up to now is 689.5 secs Computing kpt #: 153 total cpu time spent up to now is 693.0 secs Computing kpt #: 154 total cpu time spent up to now is 696.5 secs Computing kpt #: 155 total cpu time spent up to now is 699.9 secs Computing kpt #: 156 total cpu time spent up to now is 704.3 secs Computing kpt #: 157 total cpu time spent up to now is 708.8 secs Computing kpt #: 158 total cpu time spent up to now is 713.4 secs Computing kpt #: 159 total cpu time spent up to now is 717.7 secs Computing kpt #: 160 total cpu time spent up to now is 722.3 secs Computing kpt #: 161 total cpu time spent up to now is 727.4 secs Computing kpt #: 162 total cpu time spent up to now is 732.7 secs Computing kpt #: 163 total cpu time spent up to now is 737.9 secs Computing kpt #: 164 total cpu time spent up to now is 743.1 secs Computing kpt #: 165 total cpu time spent up to now is 748.4 secs Computing kpt #: 166 total cpu time spent up to now is 753.6 secs Computing kpt #: 167 total cpu time spent up to now is 758.7 secs Computing kpt #: 168 total cpu time spent up to now is 764.0 secs Computing kpt #: 169 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 770.7 secs Computing kpt #: 170 total cpu time spent up to now is 776.8 secs Computing kpt #: 171 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 783.6 secs Computing kpt #: 172 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 790.2 secs Computing kpt #: 173 total cpu time spent up to now is 796.6 secs Computing kpt #: 174 total cpu time spent up to now is 802.4 secs Computing kpt #: 175 total cpu time spent up to now is 807.2 secs Computing kpt #: 176 total cpu time spent up to now is 811.7 secs Computing kpt #: 177 total cpu time spent up to now is 816.3 secs Computing kpt #: 178 total cpu time spent up to now is 821.3 secs Computing kpt #: 179 total cpu time spent up to now is 825.7 secs Computing kpt #: 180 total cpu time spent up to now is 830.4 secs Computing kpt #: 181 total cpu time spent up to now is 835.0 secs Computing kpt #: 182 total cpu time spent up to now is 839.4 secs Computing kpt #: 183 total cpu time spent up to now is 843.9 secs Computing kpt #: 184 total cpu time spent up to now is 848.3 secs Computing kpt #: 185 total cpu time spent up to now is 853.3 secs Computing kpt #: 186 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 859.8 secs Computing kpt #: 187 total cpu time spent up to now is 864.8 secs Computing kpt #: 188 total cpu time spent up to now is 869.9 secs Computing kpt #: 189 total cpu time spent up to now is 875.0 secs Computing kpt #: 190 total cpu time spent up to now is 880.3 secs Computing kpt #: 191 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 886.7 secs Computing kpt #: 192 total cpu time spent up to now is 892.2 secs Computing kpt #: 193 total cpu time spent up to now is 897.2 secs Computing kpt #: 194 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 903.7 secs Computing kpt #: 195 total cpu time spent up to now is 909.3 secs Computing kpt #: 196 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 915.8 secs Computing kpt #: 197 total cpu time spent up to now is 922.1 secs Computing kpt #: 198 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 928.6 secs Computing kpt #: 199 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 935.3 secs Computing kpt #: 200 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 941.8 secs Computing kpt #: 201 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 948.5 secs Computing kpt #: 202 total cpu time spent up to now is 954.9 secs Computing kpt #: 203 total cpu time spent up to now is 961.0 secs Computing kpt #: 204 total cpu time spent up to now is 966.9 secs Computing kpt #: 205 total cpu time spent up to now is 972.3 secs Computing kpt #: 206 total cpu time spent up to now is 977.1 secs Computing kpt #: 207 total cpu time spent up to now is 981.7 secs Computing kpt #: 208 total cpu time spent up to now is 985.9 secs Computing kpt #: 209 total cpu time spent up to now is 990.1 secs Computing kpt #: 210 total cpu time spent up to now is 994.1 secs Computing kpt #: 211 total cpu time spent up to now is 998.1 secs Computing kpt #: 212 total cpu time spent up to now is 1001.9 secs Computing kpt #: 213 total cpu time spent up to now is 1005.8 secs ethr = 1.56E-08, avg # of iterations = 59.9 total cpu time spent up to now is 1005.8 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 14515 PWs) bands (ev): -0.2060 -0.2060 2.1563 2.1563 2.4358 2.4358 2.4383 2.4383 2.5072 2.5072 2.5236 2.5236 3.0962 3.0962 4.1165 4.1165 4.2469 4.2469 5.0315 5.0315 5.0366 5.0366 5.1775 5.1775 5.6212 5.6212 5.6352 5.6352 5.7184 5.7184 5.9476 5.9476 5.9575 5.9575 6.2784 6.2784 6.3064 6.3064 6.3226 6.3226 6.4771 6.4771 6.4838 6.4838 6.5113 6.5113 6.5342 6.5342 6.5368 6.5368 7.0945 7.0945 7.1803 7.1803 7.1823 7.1823 7.2264 7.2264 7.2636 7.2636 7.6026 7.6026 8.0414 8.0414 8.0484 8.0484 8.1239 8.1239 8.1350 8.1350 8.2976 8.2976 8.4491 8.4491 9.4164 9.4164 k = 0.0227 0.0131-0.0000 ( 14487 PWs) bands (ev): -0.2045 -0.2045 2.1458 2.1458 2.4232 2.4232 2.4273 2.4273 2.5226 2.5226 2.5393 2.5393 3.0967 3.0967 4.1165 4.1165 4.2485 4.2485 5.0320 5.0320 5.0369 5.0369 5.1778 5.1778 5.6229 5.6229 5.6356 5.6356 5.6970 5.6970 5.9544 5.9544 5.9796 5.9796 6.2651 6.2651 6.2951 6.2951 6.3173 6.3173 6.4779 6.4779 6.4843 6.4843 6.5176 6.5176 6.5451 6.5451 6.5494 6.5494 7.0920 7.0920 7.1801 7.1801 7.1822 7.1822 7.2260 7.2260 7.2633 7.2633 7.6024 7.6024 8.0419 8.0419 8.0490 8.0490 8.1207 8.1207 8.1339 8.1339 8.2978 8.2978 8.4446 8.4446 9.4144 9.4144 k = 0.0455 0.0262-0.0000 ( 14479 PWs) bands (ev): -0.2001 -0.2001 2.1160 2.1160 2.4001 2.4001 2.4060 2.4060 2.5498 2.5498 2.5775 2.5775 3.0983 3.0983 4.1163 4.1163 4.2529 4.2529 5.0333 5.0333 5.0379 5.0379 5.1788 5.1788 5.6117 5.6117 5.6362 5.6362 5.6686 5.6686 5.9628 5.9628 6.0388 6.0388 6.2291 6.2291 6.2617 6.2617 6.3132 6.3132 6.4793 6.4793 6.4859 6.4859 6.5245 6.5245 6.5750 6.5750 6.5868 6.5868 7.0848 7.0848 7.1791 7.1791 7.1824 7.1824 7.2248 7.2248 7.2626 7.2626 7.6018 7.6018 8.0430 8.0430 8.0506 8.0506 8.1059 8.1059 8.1366 8.1366 8.2974 8.2974 8.4316 8.4316 9.4077 9.4077 k = 0.0682 0.0394-0.0000 ( 14481 PWs) bands (ev): -0.1927 -0.1927 2.0713 2.0713 2.3735 2.3735 2.3861 2.3861 2.5790 2.5790 2.6248 2.6248 3.1012 3.1012 4.1160 4.1160 4.2600 4.2600 5.0356 5.0356 5.0395 5.0395 5.1803 5.1803 5.5580 5.5580 5.6472 5.6472 5.6733 5.6733 5.9750 5.9750 6.1112 6.1112 6.1812 6.1812 6.2174 6.2174 6.3118 6.3118 6.4805 6.4805 6.4891 6.4891 6.5293 6.5293 6.6180 6.6180 6.6353 6.6353 7.0731 7.0731 7.1771 7.1771 7.1834 7.1834 7.2223 7.2223 7.2621 7.2622 7.6007 7.6007 8.0441 8.0441 8.0536 8.0536 8.0811 8.0811 8.1436 8.1436 8.2940 8.2940 8.4112 8.4112 9.3948 9.3948 k = 0.0909 0.0525-0.0000 ( 14469 PWs) bands (ev): -0.1825 -0.1825 2.0165 2.0165 2.3455 2.3455 2.3688 2.3688 2.6084 2.6084 2.6752 2.6752 3.1054 3.1054 4.1157 4.1157 4.2693 4.2693 5.0372 5.0372 5.0426 5.0426 5.1826 5.1826 5.4956 5.4956 5.6632 5.6632 5.6911 5.6911 5.9887 5.9887 6.1305 6.1305 6.1690 6.1690 6.1881 6.1881 6.3112 6.3112 6.4814 6.4814 6.4938 6.4938 6.5344 6.5344 6.6655 6.6655 6.6889 6.6889 7.0572 7.0572 7.1741 7.1741 7.1851 7.1851 7.2178 7.2178 7.2627 7.2627 7.5993 7.5993 8.0404 8.0404 8.0526 8.0526 8.0595 8.0595 8.1537 8.1537 8.2845 8.2845 8.3854 8.3854 9.3745 9.3745 k = 0.1136 0.0656-0.0000 ( 14469 PWs) bands (ev): -0.1695 -0.1695 1.9550 1.9550 2.3176 2.3176 2.3525 2.3525 2.6374 2.6374 2.7263 2.7263 3.1113 3.1113 4.1153 4.1153 4.2802 4.2802 5.0341 5.0341 5.0498 5.0498 5.1855 5.1855 5.4373 5.4373 5.6821 5.6821 5.7160 5.7160 5.9937 5.9937 6.0900 6.0900 6.1196 6.1196 6.2658 6.2658 6.3108 6.3108 6.4823 6.4823 6.4998 6.4998 6.5404 6.5404 6.7137 6.7137 6.7448 6.7448 7.0377 7.0377 7.1705 7.1705 7.1875 7.1875 7.2114 7.2114 7.2648 7.2648 7.5974 7.5974 8.0072 8.0072 8.0495 8.0495 8.0653 8.0653 8.1664 8.1664 8.2659 8.2659 8.3571 8.3571 9.3479 9.3479 k = 0.1364 0.0787-0.0000 ( 14463 PWs) bands (ev): -0.1536 -0.1536 1.8892 1.8892 2.2902 2.2902 2.3364 2.3364 2.6651 2.6651 2.7769 2.7769 3.1192 3.1192 4.1148 4.1148 4.2922 4.2922 5.0233 5.0233 5.0609 5.0609 5.1892 5.1892 5.3891 5.3891 5.7028 5.7028 5.7468 5.7468 5.9665 5.9665 6.0696 6.0696 6.0846 6.0846 6.3106 6.3106 6.3423 6.3423 6.4833 6.4833 6.5069 6.5069 6.5474 6.5474 6.7611 6.7611 6.8018 6.8018 7.0156 7.0156 7.1661 7.1661 7.1909 7.1909 7.2036 7.2036 7.2686 7.2686 7.5952 7.5952 7.9647 7.9647 8.0504 8.0504 8.0731 8.0731 8.1815 8.1815 8.2359 8.2359 8.3291 8.3291 9.3173 9.3173 k = 0.1591 0.0919-0.0000 ( 14463 PWs) bands (ev): -0.1351 -0.1351 1.8206 1.8206 2.2637 2.2637 2.3201 2.3201 2.6912 2.6912 2.8261 2.8261 3.1294 3.1294 4.1142 4.1142 4.3051 4.3051 5.0009 5.0009 5.0759 5.0759 5.1936 5.1936 5.3564 5.3564 5.7249 5.7249 5.7829 5.7829 5.9151 5.9151 6.0212 6.0212 6.1051 6.1051 6.3104 6.3104 6.4152 6.4152 6.4847 6.4847 6.5149 6.5149 6.5554 6.5554 6.8060 6.8060 6.8589 6.8589 6.9921 6.9921 7.1613 7.1613 7.1941 7.1941 7.1968 7.1968 7.2738 7.2738 7.5926 7.5926 7.9181 7.9181 8.0514 8.0514 8.0822 8.0822 8.1952 8.1952 8.1985 8.1985 8.3018 8.3018 9.2851 9.2851 k = 0.1818 0.1050-0.0000 ( 14463 PWs) bands (ev): -0.1139 -0.1139 1.7503 1.7503 2.2384 2.2384 2.3038 2.3038 2.7150 2.7150 2.8734 2.8734 3.1424 3.1424 4.1135 4.1135 4.3188 4.3188 4.9649 4.9649 5.0946 5.0946 5.1988 5.1988 5.3419 5.3419 5.7476 5.7476 5.8240 5.8240 5.8576 5.8576 5.9737 5.9737 6.1345 6.1345 6.3102 6.3102 6.4756 6.4756 6.4926 6.4926 6.5237 6.5237 6.5646 6.5646 6.8458 6.8458 6.9153 6.9153 6.9701 6.9701 7.1561 7.1561 7.1880 7.1880 7.2016 7.2016 7.2804 7.2804 7.5896 7.5896 7.8685 7.8685 8.0522 8.0522 8.0924 8.0924 8.1466 8.1466 8.2171 8.2171 8.2742 8.2742 9.2529 9.2529 k = 0.2045 0.1181-0.0000 ( 14465 PWs) bands (ev): -0.0903 -0.0903 1.6791 1.6791 2.2143 2.2143 2.2874 2.2874 2.7362 2.7362 2.9184 2.9184 3.1583 3.1583 4.1129 4.1129 4.3333 4.3333 4.9169 4.9169 5.1160 5.1160 5.2047 5.2047 5.3443 5.3443 5.7684 5.7684 5.8021 5.8021 5.8694 5.8694 5.9277 5.9277 6.1666 6.1666 6.3100 6.3100 6.4841 6.4841 6.5294 6.5294 6.5442 6.5442 6.5785 6.5785 6.8721 6.8721 6.9570 6.9570 6.9717 6.9717 7.1506 7.1506 7.1840 7.1840 7.2090 7.2090 7.2883 7.2883 7.5862 7.5862 7.8168 7.8168 8.0525 8.0525 8.0927 8.0927 8.1036 8.1036 8.2347 8.2347 8.2478 8.2478 9.2213 9.2213 k = 0.2273 0.1312-0.0000 ( 14455 PWs) bands (ev): -0.0644 -0.0644 1.6077 1.6077 2.1916 2.1916 2.2711 2.2711 2.7546 2.7546 2.9607 2.9607 3.1774 3.1774 4.1122 4.1122 4.3489 4.3489 4.8609 4.8609 5.1385 5.1385 5.2115 5.2115 5.3600 5.3600 5.7397 5.7397 5.7989 5.7989 5.8824 5.8824 5.9197 5.9197 6.1989 6.1989 6.3097 6.3097 6.4856 6.4856 6.5394 6.5394 6.5686 6.5686 6.6122 6.6122 6.8708 6.8708 6.9708 6.9708 7.0243 7.0243 7.1450 7.1450 7.1857 7.1857 7.2183 7.2183 7.2973 7.2973 7.5825 7.5825 7.7637 7.7637 8.0353 8.0353 8.0525 8.0525 8.1155 8.1155 8.2126 8.2126 8.2611 8.2611 9.1907 9.1907 k = 0.2500 0.1443-0.0000 ( 14441 PWs) bands (ev): -0.0364 -0.0364 1.5367 1.5367 2.1704 2.1704 2.2553 2.2553 2.7701 2.7701 2.9999 2.9999 3.1995 3.1995 4.1115 4.1115 4.3663 4.3663 4.8005 4.8005 5.1594 5.1594 5.2193 5.2193 5.3855 5.3855 5.6895 5.6895 5.8215 5.8215 5.8403 5.8403 5.9725 5.9725 6.2295 6.2295 6.3095 6.3095 6.4867 6.4867 6.5478 6.5478 6.5765 6.5765 6.6505 6.6505 6.8508 6.8508 7.0003 7.0003 7.0747 7.0747 7.1395 7.1395 7.1952 7.1952 7.2297 7.2297 7.3076 7.3076 7.5784 7.5784 7.7101 7.7101 7.9768 7.9768 8.0515 8.0515 8.1280 8.1280 8.1812 8.1812 8.2844 8.2844 9.1609 9.1609 k = 0.2727 0.1575-0.0000 ( 14455 PWs) bands (ev): -0.0065 -0.0065 1.4667 1.4667 2.1508 2.1508 2.2402 2.2402 2.7827 2.7827 3.0359 3.0359 3.2245 3.2245 4.1107 4.1107 4.3858 4.3858 4.7385 4.7385 5.1753 5.1753 5.2279 5.2279 5.4181 5.4181 5.6466 5.6466 5.7985 5.7985 5.8459 5.8459 6.0286 6.0286 6.2574 6.2574 6.3092 6.3092 6.4876 6.4876 6.5552 6.5552 6.5787 6.5787 6.6793 6.6793 6.8259 6.8259 7.0326 7.0326 7.1200 7.1200 7.1352 7.1352 7.2139 7.2139 7.2440 7.2440 7.3190 7.3190 7.5739 7.5739 7.6567 7.6567 7.9183 7.9183 8.0500 8.0500 8.1404 8.1404 8.1495 8.1495 8.3095 8.3095 9.1315 9.1315 k = 0.2955 0.1706-0.0000 ( 14477 PWs) bands (ev): 0.0248 0.0248 1.3983 1.3983 2.1328 2.1328 2.2259 2.2259 2.7927 2.7927 3.0683 3.0683 3.2517 3.2517 4.1100 4.1100 4.4080 4.4080 4.6767 4.6767 5.1817 5.1817 5.2371 5.2371 5.4562 5.4562 5.6158 5.6158 5.7597 5.7597 5.8684 5.8684 6.0873 6.0873 6.2817 6.2817 6.3090 6.3090 6.4885 6.4885 6.5596 6.5596 6.5764 6.5764 6.6986 6.6986 6.8010 6.8010 7.0634 7.0634 7.1275 7.1275 7.1633 7.1633 7.2402 7.2402 7.2618 7.2618 7.3318 7.3318 7.5688 7.5688 7.6046 7.6046 7.8622 7.8622 8.0479 8.0479 8.1172 8.1172 8.1540 8.1540 8.3364 8.3364 9.1022 9.1022 k = 0.3182 0.1837-0.0000 ( 14479 PWs) bands (ev): 0.0573 0.0573 1.3322 1.3322 2.1166 2.1166 2.2126 2.2126 2.8004 2.8004 3.0972 3.0972 3.2807 3.2807 4.1094 4.1094 4.4332 4.4332 4.6164 4.6164 5.1747 5.1747 5.2467 5.2467 5.4983 5.4983 5.6006 5.6006 5.7230 5.7230 5.8890 5.8890 6.1480 6.1480 6.3016 6.3016 6.3089 6.3089 6.4893 6.4893 6.5531 6.5531 6.5761 6.5761 6.7115 6.7115 6.7777 6.7777 7.0912 7.0912 7.1227 7.1227 7.1971 7.1971 7.2697 7.2697 7.2842 7.2842 7.3459 7.3459 7.5541 7.5541 7.5641 7.5641 7.8112 7.8112 8.0453 8.0453 8.0863 8.0863 8.1667 8.1667 8.3651 8.3651 9.0726 9.0726 k = 0.3409 0.1968-0.0000 ( 14475 PWs) bands (ev): 0.0903 0.0903 1.2690 1.2690 2.1021 2.1021 2.2005 2.2005 2.8062 2.8062 3.1224 3.1224 3.3105 3.3105 4.1087 4.1087 4.4617 4.4617 4.5588 4.5588 5.1527 5.1527 5.2568 5.2568 5.5432 5.5432 5.6018 5.6018 5.6888 5.6888 5.9068 5.9068 6.2098 6.2098 6.3081 6.3081 6.3185 6.3185 6.4899 6.4899 6.5321 6.5321 6.5802 6.5802 6.7212 6.7212 6.7571 6.7571 7.1145 7.1145 7.1187 7.1187 7.2237 7.2237 7.2948 7.2948 7.3105 7.3105 7.3611 7.3611 7.5102 7.5102 7.5576 7.5576 7.7692 7.7692 8.0420 8.0420 8.0568 8.0568 8.1791 8.1791 8.3955 8.3955 9.0429 9.0429 k = 0.3636 0.2099-0.0000 ( 14485 PWs) bands (ev): 0.1231 0.1231 1.2098 1.2098 2.0894 2.0894 2.1898 2.1898 2.8105 2.8105 3.1439 3.1439 3.3403 3.3403 4.1082 4.1082 4.4933 4.4933 4.5051 4.5051 5.1181 5.1181 5.2673 5.2673 5.5891 5.5891 5.6166 5.6166 5.6577 5.6577 5.9206 5.9206 6.2715 6.2715 6.3083 6.3083 6.3316 6.3316 6.4905 6.4905 6.5019 6.5019 6.5848 6.5848 6.7274 6.7274 6.7417 6.7417 7.1135 7.1135 7.1353 7.1353 7.2443 7.2443 7.3051 7.3051 7.3381 7.3381 7.3772 7.3772 7.4760 7.4760 7.5508 7.5508 7.7407 7.7407 8.0271 8.0271 8.0398 8.0398 8.1907 8.1907 8.4274 8.4274 9.0132 9.0132 k = 0.3864 0.2231-0.0000 ( 14489 PWs) bands (ev): 0.1547 0.1547 1.1555 1.1555 2.0787 2.0787 2.1805 2.1805 2.8136 2.8136 3.1618 3.1618 3.3689 3.3689 4.1077 4.1077 4.4561 4.4561 4.5284 4.5284 5.0749 5.0749 5.2782 5.2782 5.6215 5.6215 5.6384 5.6384 5.6453 5.6453 5.9293 5.9293 6.3067 6.3067 6.3296 6.3296 6.3464 6.3464 6.4658 6.4658 6.4910 6.4910 6.5888 6.5888 6.7197 6.7197 6.7422 6.7422 7.1098 7.1098 7.1509 7.1509 7.2600 7.2600 7.2925 7.2925 7.3643 7.3643 7.3945 7.3945 7.4552 7.4552 7.5432 7.5432 7.7299 7.7299 7.9997 7.9997 8.0363 8.0363 8.2013 8.2013 8.4603 8.4603 8.9844 8.9844 k = 0.4091 0.2362-0.0000 ( 14481 PWs) bands (ev): 0.1840 0.1840 1.1075 1.1075 2.0698 2.0698 2.1727 2.1727 2.8157 2.8157 3.1762 3.1762 3.3951 3.3951 4.1073 4.1073 4.4133 4.4133 4.5657 4.5657 5.0272 5.0272 5.2888 5.2888 5.6009 5.6009 5.6662 5.6662 5.6863 5.6863 5.9327 5.9327 6.3071 6.3071 6.3469 6.3469 6.3955 6.3955 6.4275 6.4275 6.4914 6.4914 6.5922 6.5922 6.7076 6.7076 6.7484 6.7484 7.1066 7.1066 7.1627 7.1627 7.2553 7.2553 7.2788 7.2788 7.3873 7.3873 7.4123 7.4123 7.4427 7.4427 7.5347 7.5347 7.7374 7.7374 7.9728 7.9728 8.0332 8.0332 8.2105 8.2105 8.4930 8.4930 8.9574 8.9574 k = 0.4318 0.2493-0.0000 ( 14486 PWs) bands (ev): 0.2096 0.2096 1.0673 1.0673 2.0629 2.0629 2.1667 2.1667 2.8171 2.8171 3.1872 3.1872 3.4176 3.4176 4.1070 4.1070 4.3780 4.3780 4.6044 4.6044 4.9787 4.9787 5.2985 5.2985 5.5801 5.5801 5.6944 5.6944 5.7278 5.7278 5.9309 5.9309 6.3070 6.3070 6.3526 6.3526 6.3916 6.3916 6.4490 6.4490 6.4917 6.4917 6.5948 6.5948 6.6974 6.6974 6.7535 6.7535 7.1040 7.1040 7.1711 7.1711 7.2190 7.2190 7.2875 7.2875 7.4059 7.4059 7.4261 7.4261 7.4359 7.4359 7.5252 7.5252 7.7586 7.7586 7.9460 7.9460 8.0307 8.0307 8.2181 8.2181 8.5236 8.5236 8.9338 8.9338 k = 0.4545 0.2624-0.0000 ( 14474 PWs) bands (ev): 0.2296 0.2296 1.0368 1.0368 2.0579 2.0579 2.1623 2.1623 2.8180 2.8180 3.1949 3.1949 3.4350 3.4350 4.1067 4.1067 4.3514 4.3514 4.6419 4.6419 4.9334 4.9334 5.3066 5.3066 5.5640 5.5640 5.7193 5.7193 5.7626 5.7626 5.9257 5.9257 6.3069 6.3069 6.3459 6.3459 6.3717 6.3717 6.4910 6.4910 6.4948 6.4948 6.5966 6.5966 6.6897 6.6897 6.7562 6.7562 7.1022 7.1022 7.1763 7.1763 7.1846 7.1846 7.2952 7.2952 7.4177 7.4177 7.4223 7.4223 7.4489 7.4489 7.5149 7.5149 7.7871 7.7871 7.9191 7.9191 8.0287 8.0287 8.2237 8.2237 8.5494 8.5494 8.9150 8.9150 k = 0.4773 0.2756-0.0000 ( 14456 PWs) bands (ev): 0.2425 0.2425 1.0176 1.0176 2.0550 2.0550 2.1596 2.1596 2.8185 2.8185 3.1995 3.1995 3.4460 3.4460 4.1066 4.1066 4.3349 4.3349 4.6725 4.6725 4.8978 4.8978 5.3120 5.3120 5.5537 5.5537 5.7370 5.7370 5.7863 5.7863 5.9200 5.9200 6.3069 6.3069 6.3281 6.3281 6.3710 6.3710 6.4918 6.4918 6.5251 6.5251 6.5977 6.5977 6.6848 6.6848 6.7570 6.7570 7.1011 7.1011 7.1596 7.1596 7.1801 7.1801 7.3000 7.3000 7.4133 7.4133 7.4287 7.4287 7.4628 7.4628 7.5048 7.5048 7.8164 7.8164 7.8929 7.8929 8.0275 8.0275 8.2271 8.2271 8.5670 8.5670 8.9028 8.9028 k = 0.5000 0.2887-0.0000 ( 14478 PWs) bands (ev): 0.2470 0.2470 1.0110 1.0110 2.0540 2.0540 2.1587 2.1587 2.8187 2.8187 3.2011 3.2011 3.4498 3.4498 4.1066 4.1066 4.3292 4.3292 4.6854 4.6854 4.8833 4.8833 5.3139 5.3139 5.5502 5.5502 5.7436 5.7436 5.7947 5.7947 5.9175 5.9175 6.3068 6.3068 6.3207 6.3207 6.3717 6.3717 6.4918 6.4918 6.5363 6.5363 6.5980 6.5980 6.6831 6.6831 6.7569 6.7569 7.1007 7.1007 7.1508 7.1508 7.1810 7.1810 7.3016 7.3016 7.4111 7.4111 7.4314 7.4314 7.4696 7.4696 7.4993 7.4993 7.8339 7.8339 7.8768 7.8768 8.0271 8.0271 8.2283 8.2283 8.5734 8.5734 8.8986 8.8986 k = 0.5000 0.2887-0.0000 ( 14478 PWs) bands (ev): 0.2470 0.2470 1.0110 1.0110 2.0540 2.0540 2.1587 2.1587 2.8187 2.8187 3.2011 3.2011 3.4498 3.4498 4.1066 4.1066 4.3292 4.3292 4.6854 4.6854 4.8833 4.8833 5.3139 5.3139 5.5502 5.5502 5.7436 5.7436 5.7947 5.7947 5.9175 5.9175 6.3068 6.3068 6.3207 6.3207 6.3717 6.3717 6.4918 6.4918 6.5363 6.5363 6.5980 6.5980 6.6831 6.6831 6.7569 6.7569 7.1007 7.1007 7.1508 7.1508 7.1810 7.1810 7.3016 7.3016 7.4111 7.4111 7.4314 7.4314 7.4696 7.4696 7.4993 7.4993 7.8339 7.8339 7.8768 7.8768 8.0271 8.0271 8.2283 8.2283 8.5734 8.5734 8.8986 8.8986 k = 0.4872 0.3109-0.0000 ( 14470 PWs) bands (ev): 0.2478 0.2478 1.0125 1.0125 2.0144 2.0144 2.1966 2.1966 2.8202 2.8202 3.2015 3.2015 3.4481 3.4481 4.1065 4.1065 4.3291 4.3291 4.6841 4.6841 4.8812 4.8812 5.3144 5.3144 5.5492 5.5492 5.7465 5.7465 5.7945 5.7945 5.9214 5.9214 6.3071 6.3071 6.3212 6.3212 6.3717 6.3717 6.4916 6.4916 6.5338 6.5338 6.5971 6.5971 6.6822 6.6822 6.7559 6.7559 7.1027 7.1027 7.1513 7.1513 7.1799 7.1799 7.3015 7.3015 7.4131 7.4131 7.4310 7.4310 7.4692 7.4692 7.4998 7.4998 7.8309 7.8309 7.8781 7.8781 8.0277 8.0277 8.2302 8.2302 8.5781 8.5781 8.8994 8.8994 k = 0.4744 0.3331-0.0000 ( 14464 PWs) bands (ev): 0.2503 0.2503 1.0169 1.0169 1.9456 1.9456 2.2597 2.2597 2.8250 2.8250 3.2026 3.2026 3.4429 3.4429 4.1065 4.1065 4.3290 4.3290 4.6801 4.6801 4.8750 4.8750 5.3161 5.3161 5.5461 5.5461 5.7552 5.7552 5.7943 5.7943 5.9324 5.9324 6.3079 6.3079 6.3226 6.3226 6.3714 6.3714 6.4906 6.4906 6.5264 6.5264 6.5945 6.5945 6.6797 6.6797 6.7531 6.7531 7.1084 7.1084 7.1527 7.1527 7.1770 7.1770 7.3011 7.3011 7.4186 7.4186 7.4297 7.4297 7.4683 7.4683 7.5013 7.5013 7.8224 7.8224 7.8820 7.8820 8.0296 8.0296 8.2362 8.2362 8.5920 8.5920 8.9017 8.9017 k = 0.4615 0.3553-0.0000 ( 14480 PWs) bands (ev): 0.2544 0.2544 1.0242 1.0242 1.8720 1.8720 2.3234 2.3234 2.8336 2.8336 3.2042 3.2042 3.4344 3.4344 4.1064 4.1064 4.3291 4.3291 4.6736 4.6736 4.8647 4.8647 5.3189 5.3189 5.5411 5.5411 5.7696 5.7696 5.7957 5.7957 5.9489 5.9489 6.3093 6.3093 6.3247 6.3247 6.3709 6.3709 6.4882 6.4882 6.5144 6.5144 6.5904 6.5904 6.6764 6.6764 6.7484 6.7484 7.1178 7.1178 7.1548 7.1548 7.1728 7.1728 7.3004 7.3004 7.4259 7.4259 7.4281 7.4281 7.4672 7.4672 7.5038 7.5038 7.8097 7.8097 7.8882 7.8882 8.0324 8.0324 8.2463 8.2463 8.6136 8.6136 8.9057 8.9057 k = 0.4487 0.3775-0.0000 ( 14486 PWs) bands (ev): 0.2599 0.2599 1.0344 1.0344 1.7976 1.7976 2.3826 2.3826 2.8470 2.8470 3.2060 3.2060 3.4227 3.4227 4.1063 4.1063 4.3301 4.3301 4.6644 4.6644 4.8508 4.8508 5.3228 5.3228 5.5343 5.5343 5.7893 5.7893 5.8002 5.8002 5.9692 5.9692 6.3110 6.3110 6.3270 6.3270 6.3702 6.3702 6.4802 6.4802 6.5019 6.5019 6.5849 6.5849 6.6729 6.6729 6.7422 6.7422 7.1303 7.1303 7.1572 7.1572 7.1682 7.1682 7.2996 7.2996 7.4240 7.4240 7.4349 7.4349 7.4669 7.4669 7.5071 7.5071 7.7943 7.7943 7.8967 7.8967 8.0359 8.0359 8.2608 8.2608 8.6410 8.6410 8.9113 8.9113 k = 0.4359 0.3997-0.0000 ( 14482 PWs) bands (ev): 0.2668 0.2668 1.0475 1.0475 1.7237 1.7237 2.4349 2.4349 2.8666 2.8666 3.2076 3.2076 3.4081 3.4081 4.1062 4.1062 4.3325 4.3325 4.6530 4.6530 4.8334 4.8334 5.3279 5.3279 5.5257 5.5257 5.8081 5.8081 5.8144 5.8144 5.9918 5.9918 6.3131 6.3131 6.3290 6.3290 6.3690 6.3690 6.4593 6.4593 6.4963 6.4963 6.5784 6.5784 6.6700 6.6700 6.7346 6.7346 7.1453 7.1453 7.1586 7.1586 7.1648 7.1648 7.2986 7.2986 7.4197 7.4197 7.4400 7.4400 7.4696 7.4696 7.5111 7.5111 7.7778 7.7778 7.9075 7.9075 8.0397 8.0397 8.2799 8.2799 8.6719 8.6719 8.9177 8.9177 k = 0.4231 0.4219-0.0000 ( 14500 PWs) bands (ev): 0.2748 0.2748 1.0635 1.0635 1.6514 1.6514 2.4785 2.4785 2.8931 2.8931 3.2086 3.2086 3.3907 3.3907 4.1060 4.1060 4.3369 4.3369 4.6397 4.6397 4.8129 4.8129 5.3342 5.3342 5.5155 5.5155 5.8210 5.8210 5.8436 5.8436 6.0158 6.0158 6.3153 6.3153 6.3303 6.3303 6.3670 6.3670 6.4288 6.4288 6.4949 6.4949 6.5712 6.5712 6.6681 6.6681 6.7261 6.7261 7.1563 7.1563 7.1611 7.1611 7.1661 7.1661 7.2977 7.2977 7.4141 7.4141 7.4402 7.4402 7.4766 7.4766 7.5154 7.5154 7.7614 7.7614 7.9202 7.9202 8.0434 8.0434 8.3037 8.3037 8.7037 8.7037 8.9215 8.9215 k = 0.4103 0.4441-0.0000 ( 14496 PWs) bands (ev): 0.2835 0.2835 1.0822 1.0822 1.5813 1.5813 2.5127 2.5127 2.9268 2.9268 3.2086 3.2086 3.3708 3.3708 4.1059 4.1059 4.3438 4.3438 4.6253 4.6253 4.7899 4.7899 5.3416 5.3416 5.5039 5.5039 5.8382 5.8382 5.8768 5.8768 6.0401 6.0401 6.3173 6.3173 6.3303 6.3303 6.3640 6.3640 6.3922 6.3922 6.4952 6.4952 6.5635 6.5635 6.6672 6.6672 6.7175 6.7175 7.1525 7.1525 7.1651 7.1651 7.1817 7.1817 7.2972 7.2972 7.4072 7.4072 7.4371 7.4371 7.4859 7.4859 7.5198 7.5198 7.7464 7.7464 7.9346 7.9346 8.0468 8.0468 8.3324 8.3324 8.7336 8.7336 8.9124 8.9124 k = 0.3974 0.4663-0.0000 ( 14498 PWs) bands (ev): 0.2927 0.2927 1.1038 1.1038 1.5142 1.5142 2.5379 2.5379 2.9666 2.9666 3.2072 3.2072 3.3488 3.3488 4.1057 4.1057 4.3532 4.3532 4.6110 4.6110 4.7647 4.7647 5.3504 5.3504 5.4910 5.4910 5.8598 5.8598 5.9128 5.9128 6.0643 6.0643 6.3187 6.3187 6.3275 6.3275 6.3523 6.3523 6.3597 6.3597 6.4965 6.4965 6.5557 6.5557 6.6673 6.6673 6.7094 6.7094 7.1484 7.1484 7.1659 7.1659 7.2002 7.2002 7.2973 7.2973 7.3990 7.3990 7.4328 7.4328 7.4953 7.4953 7.5239 7.5239 7.7335 7.7335 7.9502 7.9502 8.0497 8.0497 8.3658 8.3658 8.7595 8.7595 8.8754 8.8754 k = 0.3846 0.4885-0.0000 ( 14500 PWs) bands (ev): 0.3017 0.3017 1.1281 1.1281 1.4508 1.4508 2.5554 2.5554 3.0107 3.0107 3.2042 3.2042 3.3249 3.3249 4.1056 4.1056 4.3646 4.3646 4.5984 4.5984 4.7379 4.7379 5.3604 5.3604 5.4770 5.4770 5.8854 5.8854 5.9501 5.9501 6.0875 6.0875 6.3025 6.3025 6.3195 6.3195 6.3297 6.3297 6.3536 6.3536 6.4989 6.4989 6.5479 6.5479 6.6678 6.6678 6.7028 6.7028 7.1444 7.1444 7.1655 7.1655 7.2178 7.2178 7.2991 7.2991 7.3897 7.3897 7.4284 7.4284 7.5039 7.5039 7.5273 7.5273 7.7231 7.7231 7.9660 7.9660 8.0520 8.0520 8.4036 8.4036 8.7793 8.7793 8.8229 8.8229 k = 0.3718 0.5107-0.0000 ( 14512 PWs) bands (ev): 0.3102 0.3102 1.1550 1.1550 1.3919 1.3919 2.5669 2.5669 3.0565 3.0565 3.1998 3.1998 3.2994 3.2994 4.1054 4.1054 4.3766 4.3766 4.5901 4.5901 4.7101 4.7101 5.3718 5.3718 5.4622 5.4622 5.9142 5.9142 5.9862 5.9862 6.1090 6.1090 6.2588 6.2588 6.3171 6.3171 6.3249 6.3249 6.3465 6.3465 6.5023 6.5023 6.5402 6.5402 6.6683 6.6683 6.6987 6.6987 7.1407 7.1407 7.1641 7.1641 7.2324 7.2324 7.3037 7.3037 7.3791 7.3791 7.4248 7.4248 7.5114 7.5114 7.5296 7.5296 7.7151 7.7151 7.9810 7.9810 8.0536 8.0536 8.4454 8.4454 8.7618 8.7618 8.7998 8.7998 k = 0.3590 0.5329-0.0000 ( 14498 PWs) bands (ev): 0.3172 0.3172 1.1846 1.1846 1.3384 1.3384 2.5738 2.5738 3.1008 3.1008 3.1952 3.1952 3.2725 3.2725 4.1053 4.1053 4.3870 4.3870 4.5892 4.5892 4.6818 4.6818 5.3845 5.3845 5.4467 5.4467 5.9456 5.9456 6.0159 6.0159 6.1278 6.1278 6.2171 6.2171 6.3112 6.3112 6.3209 6.3209 6.3401 6.3401 6.5066 6.5066 6.5329 6.5329 6.6684 6.6684 6.6969 6.6969 7.1376 7.1376 7.1619 7.1619 7.2423 7.2423 7.3122 7.3122 7.3676 7.3676 7.4223 7.4223 7.5176 7.5176 7.5305 7.5305 7.7097 7.7097 7.9938 7.9938 8.0547 8.0547 8.4906 8.4906 8.7072 8.7072 8.8096 8.8096 k = 0.3462 0.5551-0.0000 ( 14514 PWs) bands (ev): 0.3221 0.3221 1.2166 1.2166 1.2913 1.2913 2.5774 2.5774 3.1368 3.1368 3.1955 3.1955 3.2446 3.2446 4.1053 4.1053 4.3935 4.3935 4.5987 4.5987 4.6538 4.6538 5.3987 5.3987 5.4308 5.4308 5.9783 5.9783 6.0283 6.0283 6.1415 6.1415 6.1877 6.1877 6.3040 6.3040 6.3161 6.3161 6.3365 6.3365 6.5114 6.5114 6.5264 6.5264 6.6684 6.6684 6.6968 6.6968 7.1357 7.1357 7.1595 7.1595 7.2472 7.2472 7.3238 7.3238 7.3555 7.3555 7.4210 7.4210 7.5226 7.5226 7.5296 7.5296 7.7065 7.7065 8.0027 8.0027 8.0552 8.0552 8.5377 8.5377 8.6538 8.6538 8.8163 8.8163 k = 0.3333 0.5774-0.0000 ( 14508 PWs) bands (ev): 0.3239 0.3239 1.2479 1.2479 1.2548 1.2548 2.5785 2.5785 3.1494 3.1494 3.2107 3.2107 3.2198 3.2198 4.1052 4.1052 4.3953 4.3953 4.6128 4.6128 4.6336 4.6336 5.4127 5.4127 5.4160 5.4160 6.0091 6.0091 6.0128 6.0128 6.1469 6.1469 6.1792 6.1792 6.3002 6.3002 6.3136 6.3136 6.3354 6.3354 6.5146 6.5146 6.5226 6.5226 6.6685 6.6685 6.6970 6.6970 7.1351 7.1351 7.1582 7.1582 7.2485 7.2485 7.3325 7.3325 7.3471 7.3471 7.4206 7.4206 7.5261 7.5261 7.5274 7.5274 7.7055 7.7055 8.0060 8.0060 8.0554 8.0554 8.5717 8.5717 8.6177 8.6177 8.8179 8.8179 k = 0.3333 0.5774-0.0000 ( 14508 PWs) bands (ev): 0.3239 0.3239 1.2479 1.2479 1.2548 1.2548 2.5785 2.5785 3.1494 3.1494 3.2107 3.2107 3.2198 3.2198 4.1052 4.1052 4.3953 4.3953 4.6128 4.6128 4.6336 4.6336 5.4127 5.4127 5.4160 5.4160 6.0091 6.0091 6.0128 6.0128 6.1469 6.1469 6.1792 6.1792 6.3002 6.3002 6.3136 6.3136 6.3354 6.3354 6.5146 6.5146 6.5226 6.5226 6.6685 6.6685 6.6970 6.6970 7.1351 7.1351 7.1582 7.1582 7.2485 7.2485 7.3325 7.3325 7.3471 7.3471 7.4206 7.4206 7.5261 7.5261 7.5274 7.5274 7.7055 7.7055 8.0060 8.0060 8.0554 8.0554 8.5717 8.5717 8.6177 8.6177 8.8179 8.8179 k = 0.3200 0.5543-0.0000 ( 14506 PWs) bands (ev): 0.3216 0.3216 1.2186 1.2186 1.2900 1.2900 2.5775 2.5775 3.1429 3.1429 3.1841 3.1841 3.2495 3.2495 4.1053 4.1053 4.3943 4.3943 4.5924 4.5924 4.6599 4.6599 5.3972 5.3972 5.4324 5.4324 5.9678 5.9678 6.0415 6.0415 6.1411 6.1411 6.1809 6.1809 6.3062 6.3062 6.3170 6.3170 6.3371 6.3371 6.5111 6.5111 6.5266 6.5266 6.6683 6.6683 6.6965 6.6965 7.1353 7.1353 7.1607 7.1607 7.2475 7.2475 7.3228 7.3228 7.3559 7.3559 7.4208 7.4208 7.5217 7.5217 7.5305 7.5305 7.7066 7.7066 8.0020 8.0020 8.0552 8.0552 8.5357 8.5357 8.6560 8.6560 8.8192 8.8192 k = 0.3067 0.5312-0.0000 ( 14510 PWs) bands (ev): 0.3144 0.3144 1.1960 1.1960 1.3309 1.3309 2.5748 2.5748 3.1304 3.1304 3.1529 3.1529 3.2826 3.2826 4.1054 4.1054 4.3932 4.3932 4.5651 4.5651 4.7037 4.7037 5.3802 5.3802 5.4519 5.4519 5.9129 5.9129 6.0598 6.0598 6.1304 6.1304 6.1765 6.1765 6.3230 6.3230 6.3249 6.3249 6.3468 6.3468 6.5059 6.5059 6.5333 6.5333 6.6670 6.6670 6.6947 6.6947 7.1351 7.1351 7.1700 7.1700 7.2452 7.2452 7.3075 7.3075 7.3673 7.3673 7.4209 7.4209 7.5143 7.5143 7.5339 7.5339 7.7100 7.7100 7.9898 7.9898 8.0549 8.0549 8.4860 8.4860 8.7123 8.7123 8.8265 8.8266 k = 0.2933 0.5081-0.0000 ( 14502 PWs) bands (ev): 0.3017 0.3017 1.1837 1.1837 1.3741 1.3741 2.5706 2.5706 3.1151 3.1151 3.1219 3.1219 3.3109 3.3109 4.1055 4.1055 4.3949 4.3949 4.5386 4.5386 4.7551 4.7551 5.3633 5.3633 5.4732 5.4732 5.8531 5.8531 6.0483 6.0483 6.1344 6.1344 6.1626 6.1626 6.3252 6.3252 6.3521 6.3521 6.3681 6.3681 6.5010 6.5010 6.5404 6.5404 6.6637 6.6637 6.6919 6.6919 7.1345 7.1345 7.1872 7.1872 7.2421 7.2421 7.2913 7.2913 7.3758 7.3758 7.4202 7.4202 7.5046 7.5046 7.5374 7.5374 7.7159 7.7159 7.9698 7.9698 8.0546 8.0546 8.4378 8.4378 8.7707 8.7707 8.8411 8.8413 k = 0.2800 0.4850-0.0000 ( 14498 PWs) bands (ev): 0.2835 0.2835 1.1819 1.1819 1.4196 1.4196 2.5650 2.5650 3.0882 3.0882 3.1013 3.1013 3.3325 3.3325 4.1057 4.1057 4.4015 4.4015 4.5134 4.5134 4.8117 4.8117 5.3467 5.3467 5.4962 5.4962 5.7911 5.7911 6.0130 6.0130 6.1422 6.1422 6.1490 6.1490 6.3252 6.3252 6.3831 6.3831 6.3955 6.3955 6.4965 6.4965 6.5473 6.5473 6.6575 6.6575 6.6893 6.6893 7.1342 7.1342 7.2119 7.2119 7.2390 7.2390 7.2748 7.2748 7.3800 7.3800 7.4183 7.4183 7.4923 7.4923 7.5411 7.5411 7.7247 7.7247 7.9436 7.9436 8.0543 8.0543 8.3927 8.3927 8.8263 8.8263 8.8531 8.8532 k = 0.2667 0.4619-0.0000 ( 14512 PWs) bands (ev): 0.2604 0.2604 1.1901 1.1901 1.4671 1.4671 2.5582 2.5582 3.0564 3.0564 3.0855 3.0855 3.3468 3.3468 4.1060 4.1060 4.4144 4.4144 4.4899 4.4899 4.8720 4.8720 5.3306 5.3306 5.5211 5.5211 5.7282 5.7282 5.9683 5.9683 6.1174 6.1174 6.1613 6.1613 6.3244 6.3244 6.4074 6.4074 6.4311 6.4311 6.4928 6.4928 6.5539 6.5539 6.6487 6.6487 6.6880 6.6880 7.1341 7.1341 7.2310 7.2310 7.2480 7.2480 7.2583 7.2583 7.3791 7.3791 7.4151 7.4151 7.4769 7.4769 7.5452 7.5452 7.7369 7.7369 7.9142 7.9142 8.0541 8.0541 8.3513 8.3513 8.8411 8.8411 8.8622 8.8622 k = 0.2533 0.4388-0.0000 ( 14492 PWs) bands (ev): 0.2330 0.2330 1.2075 1.2075 1.5165 1.5165 2.5503 2.5503 3.0245 3.0245 3.0701 3.0701 3.3536 3.3536 4.1064 4.1064 4.4344 4.4344 4.4682 4.4682 4.9345 4.9345 5.3151 5.3151 5.5476 5.5476 5.6653 5.6653 5.9196 5.9196 6.0899 6.0899 6.1668 6.1668 6.3233 6.3233 6.4219 6.4219 6.4726 6.4726 6.4896 6.4896 6.5600 6.5600 6.6386 6.6386 6.6890 6.6890 7.1336 7.1336 7.2281 7.2281 7.2421 7.2421 7.2841 7.2841 7.3727 7.3727 7.4113 7.4113 7.4577 7.4577 7.5494 7.5494 7.7531 7.7531 7.8850 7.8850 8.0540 8.0540 8.3137 8.3137 8.8072 8.8072 8.8803 8.8803 k = 0.2400 0.4157-0.0000 ( 14484 PWs) bands (ev): 0.2024 0.2024 1.2333 1.2333 1.5676 1.5676 2.5412 2.5412 2.9927 2.9927 3.0553 3.0553 3.3529 3.3529 4.1068 4.1068 4.4483 4.4483 4.4618 4.4618 4.9981 4.9981 5.3003 5.3003 5.5745 5.5745 5.6044 5.6044 5.8697 5.8697 6.0606 6.0606 6.1642 6.1642 6.3222 6.3222 6.4265 6.4265 6.4866 6.4866 6.5155 6.5155 6.5661 6.5661 6.6291 6.6291 6.6931 6.6931 7.1317 7.1317 7.2234 7.2234 7.2267 7.2267 7.3222 7.3222 7.3611 7.3611 7.4099 7.4099 7.4336 7.4336 7.5538 7.5538 7.7735 7.7735 7.8602 7.8602 8.0541 8.0541 8.2801 8.2801 8.7592 8.7592 8.8970 8.8970 k = 0.2267 0.3926-0.0000 ( 14480 PWs) bands (ev): 0.1695 0.1695 1.2664 1.2664 1.6202 1.6202 2.5311 2.5311 2.9613 2.9613 3.0410 3.0410 3.3455 3.3455 4.1073 4.1073 4.4303 4.4303 4.4960 4.4960 5.0613 5.0613 5.2863 5.2863 5.5393 5.5393 5.6084 5.6084 5.8205 5.8205 6.0301 6.0301 6.1533 6.1533 6.3209 6.3209 6.4207 6.4207 6.4840 6.4840 6.5518 6.5518 6.5771 6.5771 6.6214 6.6214 6.7006 6.7006 7.1270 7.1270 7.2122 7.2122 7.2181 7.2181 7.3357 7.3357 7.3569 7.3569 7.4038 7.4038 7.4225 7.4225 7.5583 7.5583 7.7982 7.7982 7.8440 7.8440 8.0544 8.0544 8.2503 8.2503 8.7065 8.7065 8.9156 8.9156 k = 0.2133 0.3695-0.0000 ( 14486 PWs) bands (ev): 0.1353 0.1353 1.3058 1.3058 1.6741 1.6741 2.5201 2.5201 2.9303 2.9303 3.0273 3.0273 3.3320 3.3320 4.1079 4.1079 4.4141 4.4141 4.5367 4.5367 5.1226 5.1226 5.2731 5.2731 5.4796 5.4796 5.6403 5.6403 5.7744 5.7744 5.9989 5.9989 6.1345 6.1345 6.3197 6.3197 6.4050 6.4050 6.4817 6.4817 6.5640 6.5640 6.6083 6.6083 6.6158 6.6158 6.7121 6.7121 7.1185 7.1185 7.1992 7.1992 7.2119 7.2119 7.3138 7.3138 7.3568 7.3568 7.3702 7.3702 7.4600 7.4600 7.5632 7.5632 7.8241 7.8241 7.8427 7.8427 8.0547 8.0547 8.2242 8.2242 8.6534 8.6534 8.9370 8.9370 k = 0.2000 0.3464-0.0000 ( 14480 PWs) bands (ev): 0.1006 0.1006 1.3505 1.3505 1.7291 1.7291 2.5083 2.5083 2.8998 2.8998 3.0138 3.0138 3.3135 3.3135 4.1085 4.1085 4.3994 4.3994 4.5830 4.5830 5.1798 5.1798 5.2611 5.2611 5.4215 5.4215 5.6744 5.6744 5.7341 5.7341 5.9674 5.9674 6.1088 6.1088 6.3184 6.3184 6.3809 6.3809 6.4800 6.4800 6.5660 6.5660 6.6107 6.6107 6.6428 6.6428 6.7283 6.7283 7.1055 7.1055 7.1878 7.1878 7.2039 7.2039 7.2854 7.2854 7.3253 7.3253 7.3542 7.3542 7.5086 7.5086 7.5695 7.5695 7.8395 7.8395 7.8691 7.8691 8.0551 8.0551 8.2012 8.2012 8.6016 8.6016 8.9615 8.9615 k = 0.1867 0.3233-0.0000 ( 14492 PWs) bands (ev): 0.0661 0.0661 1.4000 1.4000 1.7848 1.7848 2.4960 2.4960 2.8699 2.8699 3.0002 3.0002 3.2911 3.2911 4.1091 4.1091 4.3860 4.3860 4.6341 4.6341 5.2280 5.2280 5.2520 5.2520 5.3658 5.3658 5.7008 5.7008 5.7127 5.7127 5.9360 5.9360 6.0776 6.0776 6.3170 6.3170 6.3505 6.3505 6.4788 6.4788 6.5652 6.5652 6.6060 6.6060 6.6679 6.6679 6.7502 6.7502 7.0875 7.0875 7.1780 7.1780 7.1916 7.1916 7.2558 7.2558 7.2840 7.2840 7.3435 7.3435 7.5514 7.5514 7.5850 7.5850 7.8588 7.8588 7.9080 7.9080 8.0555 8.0555 8.1809 8.1809 8.5522 8.5522 8.9893 8.9893 k = 0.1733 0.3002-0.0000 ( 14480 PWs) bands (ev): 0.0323 0.0323 1.4534 1.4534 1.8411 1.8411 2.4834 2.4834 2.8407 2.8407 2.9858 2.9858 3.2660 3.2660 4.1098 4.1098 4.3738 4.3738 4.6888 4.6888 5.2360 5.2360 5.2732 5.2732 5.3133 5.3133 5.6847 5.6847 5.7494 5.7494 5.9048 5.9048 6.0426 6.0426 6.3114 6.3114 6.3197 6.3197 6.4781 6.4781 6.5624 6.5624 6.6006 6.6006 6.6791 6.6791 6.7781 6.7781 7.0641 7.0641 7.1651 7.1651 7.1738 7.1738 7.2317 7.2317 7.2456 7.2456 7.3322 7.3322 7.5672 7.5672 7.6280 7.6280 7.8874 7.8874 7.9517 7.9517 8.0557 8.0557 8.1628 8.1628 8.5057 8.5057 9.0201 9.0201 k = 0.1600 0.2771-0.0000 ( 14474 PWs) bands (ev): -0.0001 -0.0001 1.5102 1.5102 1.8975 1.8975 2.4708 2.4708 2.8122 2.8122 2.9696 2.9696 3.2395 3.2395 4.1106 4.1106 4.3622 4.3622 4.7459 4.7459 5.2268 5.2268 5.2647 5.2647 5.2981 5.2981 5.6850 5.6850 5.7893 5.7893 5.8742 5.8742 6.0053 6.0053 6.2760 6.2760 6.3157 6.3157 6.4777 6.4777 6.5577 6.5577 6.5943 6.5943 6.6747 6.6747 6.8090 6.8090 7.0356 7.0356 7.1300 7.1300 7.1667 7.1667 7.2119 7.2119 7.2199 7.2199 7.3209 7.3209 7.5734 7.5734 7.6796 7.6796 7.9241 7.9241 7.9985 7.9985 8.0558 8.0558 8.1465 8.1465 8.4625 8.4625 9.0539 9.0539 k = 0.1467 0.2540-0.0000 ( 14482 PWs) bands (ev): -0.0310 -0.0310 1.5697 1.5697 1.9538 1.9538 2.4583 2.4583 2.7844 2.7844 2.9506 2.9506 3.2130 3.2130 4.1113 4.1113 4.3511 4.3511 4.8041 4.8041 5.2124 5.2124 5.2256 5.2256 5.3098 5.3098 5.7035 5.7035 5.8302 5.8302 5.8451 5.8451 5.9677 5.9677 6.2363 6.2363 6.3145 6.3145 6.4775 6.4775 6.5515 6.5515 6.5871 6.5871 6.6539 6.6539 6.8396 6.8396 7.0034 7.0034 7.0843 7.0843 7.1631 7.1631 7.1921 7.1921 7.2105 7.2105 7.3099 7.3099 7.5781 7.5781 7.7314 7.7314 7.9665 7.9665 8.0464 8.0464 8.0560 8.0560 8.1316 8.1316 8.4231 8.4231 9.0904 9.0904 k = 0.1333 0.2309-0.0000 ( 14474 PWs) bands (ev): -0.0599 -0.0599 1.6316 1.6316 2.0097 2.0097 2.4463 2.4463 2.7572 2.7572 2.9275 2.9275 3.1880 3.1880 4.1120 4.1120 4.3400 4.3400 4.8612 4.8612 5.1770 5.1770 5.2131 5.2131 5.3127 5.3127 5.7349 5.7349 5.8144 5.8144 5.8752 5.8752 5.9331 5.9331 6.1959 6.1959 6.3135 6.3135 6.4775 6.4775 6.5438 6.5438 6.5792 6.5792 6.6173 6.6173 6.8654 6.8654 6.9719 6.9719 7.0335 7.0335 7.1616 7.1616 7.1821 7.1821 7.2045 7.2045 7.2996 7.2996 7.5822 7.5822 7.7821 7.7821 8.0123 8.0123 8.0552 8.0552 8.0946 8.0946 8.1181 8.1181 8.3882 8.3882 9.1293 9.1293 k = 0.1200 0.2078-0.0000 ( 14482 PWs) bands (ev): -0.0866 -0.0866 1.6952 1.6952 2.0647 2.0647 2.4351 2.4351 2.7307 2.7307 2.8993 2.8993 3.1658 3.1658 4.1128 4.1128 4.3286 4.3286 4.9145 4.9145 5.1424 5.1424 5.2057 5.2057 5.3145 5.3145 5.7673 5.7673 5.7863 5.7863 5.9086 5.9086 5.9206 5.9206 6.1559 6.1559 6.3127 6.3127 6.4776 6.4776 6.5342 6.5342 6.5658 6.5658 6.5729 6.5729 6.8734 6.8734 6.9542 6.9542 6.9798 6.9798 7.1616 7.1616 7.1807 7.1807 7.1999 7.1999 7.2902 7.2902 7.5859 7.5859 7.8313 7.8313 8.0529 8.0529 8.0601 8.0601 8.1050 8.1050 8.1408 8.1408 8.3590 8.3590 9.1702 9.1702 k = 0.1067 0.1848-0.0000 ( 14472 PWs) bands (ev): -0.1110 -0.1110 1.7599 1.7599 2.1185 2.1185 2.4248 2.4248 2.7046 2.7046 2.8653 2.8653 3.1471 3.1471 4.1135 4.1135 4.3169 4.3169 4.9605 4.9605 5.1128 5.1128 5.1995 5.1995 5.3229 5.3229 5.7588 5.7588 5.7802 5.7802 5.9124 5.9124 5.9674 5.9674 6.1175 6.1175 6.3121 6.3121 6.4765 6.4765 6.5012 6.5012 6.5304 6.5304 6.5632 6.5632 6.8500 6.8500 6.9226 6.9226 6.9658 6.9658 7.1630 7.1630 7.1848 7.1848 7.1962 7.1962 7.2819 7.2819 7.5893 7.5893 7.8788 7.8788 8.0532 8.0532 8.0935 8.0935 8.1014 8.1014 8.1825 8.1825 8.3379 8.3379 9.2124 9.2124 k = 0.0933 0.1617-0.0000 ( 14458 PWs) bands (ev): -0.1328 -0.1328 1.8252 1.8252 2.1706 2.1706 2.4159 2.4159 2.6789 2.6789 2.8256 2.8256 3.1321 3.1321 4.1141 4.1141 4.3049 4.3049 4.9954 4.9954 5.0888 5.0888 5.1941 5.1941 5.3441 5.3441 5.7327 5.7327 5.7653 5.7653 5.9496 5.9496 6.0157 6.0157 6.0816 6.0816 6.3116 6.3116 6.4298 6.4298 6.4798 6.4798 6.5197 6.5197 6.5551 6.5551 6.8105 6.8105 6.8654 6.8654 6.9885 6.9885 7.1653 7.1653 7.1898 7.1898 7.1956 7.1956 7.2748 7.2748 7.5923 7.5923 7.9245 7.9245 8.0520 8.0520 8.0831 8.0831 8.1342 8.1342 8.2187 8.2187 8.3288 8.3288 9.2553 9.2553 k = 0.0800 0.1386-0.0000 ( 14456 PWs) bands (ev): -0.1519 -0.1519 1.8903 1.8903 2.2208 2.2208 2.4088 2.4088 2.6533 2.6533 2.7809 2.7809 3.1206 3.1206 4.1147 4.1147 4.2927 4.2927 5.0177 5.0177 5.0700 5.0700 5.1896 5.1896 5.3808 5.3808 5.7081 5.7081 5.7399 5.7399 6.0021 6.0021 6.0489 6.0489 6.0652 6.0652 6.3113 6.3113 6.3553 6.3553 6.4796 6.4796 6.5107 6.5107 6.5475 6.5475 6.7654 6.7654 6.8074 6.8074 7.0130 7.0130 7.1682 7.1682 7.1886 7.1886 7.2027 7.2027 7.2692 7.2692 7.5950 7.5950 7.9679 7.9679 8.0508 8.0508 8.0738 8.0738 8.1520 8.1520 8.2483 8.2483 8.3358 8.3358 9.2975 9.2975 k = 0.0667 0.1155-0.0000 ( 14478 PWs) bands (ev): -0.1683 -0.1683 1.9539 1.9539 2.2685 2.2685 2.4039 2.4039 2.6277 2.6277 2.7323 2.7323 3.1120 3.1120 4.1152 4.1152 4.2808 4.2808 5.0293 5.0293 5.0561 5.0561 5.1858 5.1858 5.4313 5.4313 5.6853 5.6853 5.7138 5.7138 6.0203 6.0203 6.0593 6.0593 6.1153 6.1153 6.2774 6.2774 6.3112 6.3112 6.4798 6.4798 6.5026 6.5026 6.5407 6.5407 6.7175 6.7175 6.7494 6.7494 7.0359 7.0359 7.1714 7.1714 7.1865 7.1865 7.2108 7.2108 7.2651 7.2652 7.5973 7.5973 8.0083 8.0083 8.0496 8.0496 8.0659 8.0659 8.1551 8.1551 8.2707 8.2707 8.3569 8.3569 9.3368 9.3369 k = 0.0533 0.0924-0.0000 ( 14478 PWs) bands (ev): -0.1818 -0.1818 2.0144 2.0144 2.3134 2.3134 2.4021 2.4021 2.6019 2.6019 2.6811 2.6811 3.1058 3.1058 4.1157 4.1157 4.2699 4.2699 5.0339 5.0339 5.0466 5.0466 5.1827 5.1827 5.4912 5.4912 5.6650 5.6650 5.6908 5.6908 5.9963 5.9963 6.1151 6.1151 6.1656 6.1656 6.2002 6.2002 6.3113 6.3113 6.4799 6.4799 6.4955 6.4955 6.5346 6.5346 6.6686 6.6686 6.6924 6.6924 7.0560 7.0560 7.1744 7.1744 7.1847 7.1847 7.2175 7.2175 7.2628 7.2628 7.5992 7.5992 8.0404 8.0404 8.0524 8.0524 8.0600 8.0600 8.1502 8.1502 8.2857 8.2857 8.3839 8.3839 9.3700 9.3700 k = 0.0400 0.0693-0.0000 ( 14476 PWs) bands (ev): -0.1923 -0.1923 2.0694 2.0694 2.3550 2.3550 2.4046 2.4046 2.5756 2.5756 2.6293 2.6293 3.1013 3.1013 4.1160 4.1160 4.2604 4.2604 5.0346 5.0346 5.0408 5.0408 5.1804 5.1804 5.5549 5.5549 5.6481 5.6481 5.6734 5.6734 5.9773 5.9773 6.1117 6.1117 6.1807 6.1807 6.2151 6.2151 6.3118 6.3118 6.4798 6.4798 6.4899 6.4899 6.5295 6.5295 6.6203 6.6203 6.6378 6.6378 7.0724 7.0724 7.1771 7.1771 7.1833 7.1833 7.2221 7.2221 7.2622 7.2622 7.6007 7.6007 8.0442 8.0442 8.0538 8.0538 8.0805 8.0805 8.1428 8.1428 8.2941 8.2941 8.4101 8.4101 9.3935 9.3935 k = 0.0267 0.0462-0.0000 ( 14488 PWs) bands (ev): -0.1999 -0.1999 2.1148 2.1148 2.3922 2.3922 2.4130 2.4130 2.5490 2.5490 2.5799 2.5799 3.0984 3.0984 4.1163 4.1163 4.2531 4.2531 5.0333 5.0333 5.0381 5.0381 5.1788 5.1788 5.6105 5.6105 5.6364 5.6364 5.6682 5.6682 5.9634 5.9634 6.0408 6.0408 6.2278 6.2278 6.2604 6.2604 6.3132 6.3132 6.4792 6.4792 6.4861 6.4861 6.5246 6.5246 6.5763 6.5763 6.5883 6.5883 7.0845 7.0845 7.1791 7.1791 7.1824 7.1824 7.2248 7.2248 7.2626 7.2626 7.6017 7.6017 8.0430 8.0430 8.0507 8.0507 8.1054 8.1054 8.1365 8.1365 8.2974 8.2974 8.4311 8.4311 9.4074 9.4074 k = 0.0133 0.0231-0.0000 ( 14486 PWs) bands (ev): -0.2044 -0.2044 2.1454 2.1454 2.4222 2.4222 2.4278 2.4278 2.5229 2.5229 2.5399 2.5399 3.0967 3.0967 4.1165 4.1165 4.2485 4.2485 5.0320 5.0320 5.0370 5.0370 5.1778 5.1778 5.6230 5.6230 5.6356 5.6356 5.6964 5.6964 5.9545 5.9545 5.9804 5.9804 6.2646 6.2646 6.2948 6.2948 6.3172 6.3172 6.4780 6.4780 6.4843 6.4843 6.5177 6.5177 6.5454 6.5454 6.5498 6.5498 7.0920 7.0920 7.1801 7.1801 7.1822 7.1822 7.2260 7.2260 7.2633 7.2633 7.6024 7.6024 8.0419 8.0419 8.0490 8.0490 8.1205 8.1205 8.1339 8.1339 8.2978 8.2978 8.4445 8.4445 9.4143 9.4143 k = 0.0000 0.0000 0.0000 ( 14515 PWs) bands (ev): -0.2060 -0.2060 2.1563 2.1563 2.4358 2.4358 2.4383 2.4383 2.5072 2.5072 2.5236 2.5236 3.0962 3.0962 4.1165 4.1165 4.2469 4.2469 5.0315 5.0315 5.0366 5.0366 5.1775 5.1775 5.6212 5.6212 5.6352 5.6352 5.7184 5.7184 5.9476 5.9476 5.9575 5.9575 6.2784 6.2784 6.3064 6.3064 6.3226 6.3226 6.4771 6.4771 6.4838 6.4838 6.5113 6.5113 6.5342 6.5342 6.5368 6.5368 7.0945 7.0945 7.1803 7.1803 7.1823 7.1823 7.2264 7.2264 7.2636 7.2636 7.6026 7.6026 8.0414 8.0414 8.0484 8.0484 8.1239 8.1239 8.1350 8.1350 8.2976 8.2976 8.4491 8.4491 9.4164 9.4164 k = 0.0000 0.0000 0.0000 ( 14515 PWs) bands (ev): -0.2060 -0.2060 2.1563 2.1563 2.4358 2.4358 2.4383 2.4383 2.5072 2.5072 2.5236 2.5236 3.0962 3.0962 4.1165 4.1165 4.2469 4.2469 5.0315 5.0315 5.0366 5.0366 5.1775 5.1775 5.6212 5.6212 5.6352 5.6352 5.7184 5.7184 5.9476 5.9476 5.9575 5.9575 6.2784 6.2784 6.3064 6.3064 6.3226 6.3226 6.4771 6.4771 6.4838 6.4838 6.5113 6.5113 6.5342 6.5342 6.5368 6.5368 7.0945 7.0945 7.1803 7.1803 7.1823 7.1823 7.2264 7.2264 7.2636 7.2636 7.6026 7.6026 8.0414 8.0414 8.0484 8.0484 8.1239 8.1239 8.1350 8.1350 8.2976 8.2976 8.4491 8.4491 9.4164 9.4164 k = 0.0000 0.0000 0.0261 ( 14503 PWs) bands (ev): -0.2044 -0.2044 2.1575 2.1575 2.4369 2.4369 2.4394 2.4394 2.5085 2.5085 2.5249 2.5249 3.0891 3.0891 4.1168 4.1168 4.2489 4.2489 5.0283 5.0283 5.0336 5.0336 5.1754 5.1754 5.6205 5.6205 5.6347 5.6347 5.7268 5.7268 5.9443 5.9443 5.9537 5.9537 6.2806 6.2806 6.3085 6.3085 6.3245 6.3245 6.4788 6.4788 6.4852 6.4852 6.5098 6.5098 6.5323 6.5323 6.5354 6.5354 7.0956 7.0956 7.1827 7.1827 7.1848 7.1848 7.2278 7.2278 7.2650 7.2650 7.6042 7.6042 8.0408 8.0408 8.0479 8.0479 8.1243 8.1243 8.1355 8.1355 8.2976 8.2976 8.4504 8.4504 9.4039 9.4039 k = 0.0000 0.0000 0.0522 ( 14485 PWs) bands (ev): -0.1996 -0.1996 2.1609 2.1609 2.4402 2.4402 2.4427 2.4427 2.5125 2.5125 2.5289 2.5289 3.0682 3.0682 4.1171 4.1171 4.2549 4.2549 5.0187 5.0187 5.0244 5.0244 5.1700 5.1700 5.6181 5.6181 5.6330 5.6330 5.7509 5.7509 5.9349 5.9349 5.9429 5.9429 6.2872 6.2872 6.3146 6.3146 6.3300 6.3300 6.4837 6.4837 6.4894 6.4894 6.5057 6.5057 6.5267 6.5267 6.5315 6.5315 7.0988 7.0988 7.1898 7.1898 7.1923 7.1923 7.2320 7.2320 7.2689 7.2689 7.6090 7.6090 8.0389 8.0389 8.0462 8.0462 8.1256 8.1256 8.1370 8.1370 8.2979 8.2979 8.4543 8.4543 9.3650 9.3650 k = 0.0000 0.0000 0.0783 ( 14473 PWs) bands (ev): -0.1915 -0.1915 2.1665 2.1665 2.4457 2.4457 2.4481 2.4481 2.5191 2.5191 2.5355 2.5355 3.0345 3.0345 4.1164 4.1164 4.2648 4.2648 5.0030 5.0030 5.0095 5.0095 5.1636 5.1636 5.6136 5.6136 5.6298 5.6298 5.7886 5.7886 5.9202 5.9202 5.9258 5.9258 6.2981 6.2981 6.3242 6.3242 6.3386 6.3386 6.4909 6.4909 6.4962 6.4962 6.4994 6.4994 6.5174 6.5174 6.5260 6.5260 7.1043 7.1043 7.2015 7.2015 7.2044 7.2044 7.2388 7.2388 7.2753 7.2753 7.6170 7.6170 8.0359 8.0359 8.0435 8.0435 8.1276 8.1276 8.1394 8.1394 8.2984 8.2984 8.4606 8.4606 9.3067 9.3067 k = 0.0000 0.0000 0.1043 ( 14443 PWs) bands (ev): -0.1803 -0.1803 2.1744 2.1744 2.4533 2.4533 2.4557 2.4557 2.5284 2.5284 2.5448 2.5448 2.9894 2.9894 4.1130 4.1130 4.2786 4.2786 4.9817 4.9817 4.9892 4.9892 5.1591 5.1591 5.6064 5.6064 5.6242 5.6242 5.8373 5.8373 5.9015 5.9015 5.9041 5.9041 6.3129 6.3129 6.3364 6.3364 6.3493 6.3493 6.4919 6.4919 6.4985 6.4985 6.5044 6.5044 6.5051 6.5051 6.5214 6.5214 7.1118 7.1118 7.2171 7.2171 7.2207 7.2207 7.2478 7.2478 7.2839 7.2839 7.6281 7.6281 8.0321 8.0321 8.0400 8.0400 8.1303 8.1303 8.1428 8.1428 8.2990 8.2990 8.4691 8.4691 9.2381 9.2381 k = 0.0000 0.0000 0.1304 ( 14443 PWs) bands (ev): -0.1659 -0.1659 2.1846 2.1846 2.4630 2.4630 2.4655 2.4655 2.5401 2.5401 2.5565 2.5565 2.9345 2.9345 4.1053 4.1053 4.2963 4.2963 4.9553 4.9553 4.9640 4.9640 5.1589 5.1589 5.5953 5.5953 5.6151 5.6151 5.8794 5.8794 5.8798 5.8798 5.8960 5.8960 6.3306 6.3306 6.3501 6.3501 6.3603 6.3603 6.4852 6.4852 6.4879 6.4879 6.5013 6.5013 6.5158 6.5158 6.5241 6.5241 7.1216 7.1216 7.2363 7.2363 7.2405 7.2405 7.2586 7.2586 7.2942 7.2942 7.6423 7.6423 8.0277 8.0277 8.0362 8.0362 8.1336 8.1336 8.1469 8.1469 8.2996 8.2996 8.4793 8.4793 9.1637 9.1637 k = 0.0000 0.0000 0.1565 ( 14443 PWs) bands (ev): -0.1484 -0.1484 2.1970 2.1970 2.4749 2.4749 2.4773 2.4773 2.5544 2.5544 2.5708 2.5708 2.8714 2.8714 4.0919 4.0919 4.3177 4.3177 4.9245 4.9245 4.9345 4.9345 5.1650 5.1650 5.5790 5.5790 5.6009 5.6009 5.8553 5.8553 5.8590 5.8590 5.9594 5.9594 6.3477 6.3477 6.3655 6.3655 6.3690 6.3690 6.4679 6.4679 6.4822 6.4822 6.5004 6.5004 6.5280 6.5280 6.5351 6.5351 7.1334 7.1334 7.2583 7.2583 7.2633 7.2633 7.2709 7.2709 7.3060 7.3060 7.6594 7.6594 8.0230 8.0230 8.0321 8.0321 8.1374 8.1374 8.1516 8.1516 8.3003 8.3003 8.4909 8.4909 9.0852 9.0852 k = 0.0000 0.0000 0.1826 ( 14407 PWs) bands (ev): -0.1277 -0.1277 2.2115 2.2115 2.4888 2.4888 2.4912 2.4912 2.5711 2.5711 2.5875 2.5875 2.8015 2.8015 4.0722 4.0722 4.3427 4.3427 4.8900 4.8900 4.9013 4.9013 5.1783 5.1783 5.5560 5.5560 5.5796 5.5796 5.8334 5.8334 5.8399 5.8399 6.0287 6.0287 6.3553 6.3553 6.3720 6.3720 6.3874 6.3874 6.4447 6.4447 6.4863 6.4863 6.5038 6.5038 6.5414 6.5414 6.5493 6.5493 7.1473 7.1473 7.2826 7.2826 7.2840 7.2840 7.2883 7.2883 7.3188 7.3188 7.6795 7.6795 8.0185 8.0185 8.0284 8.0284 8.1415 8.1415 8.1568 8.1568 8.3010 8.3010 8.5032 8.5032 9.0038 9.0038 k = 0.0000 0.0000 0.2087 ( 14425 PWs) bands (ev): -0.1038 -0.1038 2.2283 2.2283 2.5047 2.5047 2.5071 2.5071 2.5901 2.5901 2.6065 2.6065 2.7260 2.7260 4.0457 4.0457 4.3713 4.3713 4.8523 4.8523 4.8650 4.8650 5.1991 5.1991 5.5254 5.5254 5.5498 5.5498 5.8161 5.8161 5.8245 5.8245 6.1018 6.1018 6.3518 6.3518 6.3675 6.3675 6.4133 6.4133 6.4203 6.4203 6.4993 6.4993 6.5148 6.5148 6.5559 6.5559 6.5650 6.5650 7.1632 7.1632 7.2975 7.2975 7.3085 7.3085 7.3144 7.3144 7.3326 7.3326 7.7022 7.7022 8.0145 8.0145 8.0254 8.0254 8.1456 8.1456 8.1624 8.1624 8.3016 8.3016 8.5159 8.5159 8.9202 8.9202 k = 0.0000 0.0000 0.2348 ( 14413 PWs) bands (ev): -0.0769 -0.0769 2.2472 2.2472 2.5224 2.5224 2.5249 2.5249 2.6113 2.6113 2.6278 2.6278 2.6461 2.6461 4.0130 4.0130 4.4033 4.4033 4.8122 4.8122 4.8262 4.8262 5.2272 5.2272 5.4871 5.4871 5.5111 5.5111 5.8043 5.8043 5.8134 5.8134 6.1777 6.1777 6.3406 6.3406 6.3562 6.3562 6.3881 6.3881 6.4473 6.4473 6.5197 6.5197 6.5329 6.5329 6.5713 6.5713 6.5817 6.5817 7.1811 7.1811 7.3108 7.3108 7.3353 7.3353 7.3382 7.3382 7.3496 7.3496 7.7274 7.7274 8.0116 8.0116 8.0234 8.0234 8.1498 8.1498 8.1680 8.1680 8.3020 8.3020 8.5284 8.5284 8.8351 8.8351 k = 0.0000 0.0000 0.2608 ( 14413 PWs) bands (ev): -0.0468 -0.0468 2.2683 2.2683 2.5414 2.5414 2.5446 2.5446 2.5634 2.5634 2.6345 2.6345 2.6510 2.6510 3.9744 3.9744 4.4386 4.4386 4.7701 4.7701 4.7855 4.7855 5.2619 5.2619 5.4416 5.4416 5.4645 5.4645 5.7977 5.7977 5.8065 5.8065 6.2554 6.2554 6.3246 6.3246 6.3402 6.3402 6.3556 6.3556 6.4812 6.4812 6.5450 6.5450 6.5558 6.5558 6.5877 6.5877 6.5991 6.5991 7.2006 7.2006 7.3237 7.3237 7.3540 7.3540 7.3626 7.3626 7.3747 7.3747 7.7550 7.7550 8.0099 8.0099 8.0228 8.0228 8.1537 8.1537 8.1737 8.1737 8.3023 8.3023 8.5401 8.5401 8.7493 8.7493 k = 0.0000 0.0000 0.2869 ( 14407 PWs) bands (ev): -0.0137 -0.0137 2.2915 2.2915 2.4761 2.4761 2.5640 2.5640 2.5660 2.5660 2.6597 2.6597 2.6762 2.6762 3.9309 3.9309 4.4770 4.4770 4.7268 4.7268 4.7434 4.7434 5.3020 5.3020 5.3906 5.3906 5.4113 5.4113 5.7953 5.7953 5.8034 5.8034 6.3057 6.3057 6.3203 6.3203 6.3213 6.3213 6.3342 6.3342 6.5169 6.5169 6.5733 6.5733 6.5818 6.5818 6.6048 6.6048 6.6172 6.6172 7.2215 7.2215 7.3356 7.3356 7.3662 7.3662 7.3895 7.3895 7.4022 7.4022 7.7846 7.7846 8.0099 8.0099 8.0238 8.0238 8.1572 8.1572 8.1793 8.1793 8.3024 8.3024 8.5506 8.5506 8.6638 8.6638 k = 0.0000 0.0000 0.3130 ( 14425 PWs) bands (ev): 0.0224 0.0224 2.3167 2.3167 2.3878 2.3878 2.5870 2.5870 2.5891 2.5891 2.6865 2.6865 2.7031 2.7031 3.8832 3.8832 4.5184 4.5184 4.6826 4.6826 4.7005 4.7005 5.3255 5.3255 5.3530 5.3530 5.3566 5.3566 5.7962 5.7962 5.8033 5.8033 6.2820 6.2820 6.2854 6.2854 6.3006 6.3006 6.4131 6.4131 6.5536 6.5536 6.6031 6.6031 6.6095 6.6095 6.6228 6.6228 6.6359 6.6359 7.2434 7.2434 7.3464 7.3464 7.3769 7.3769 7.4155 7.4155 7.4294 7.4294 7.8160 7.8160 8.0116 8.0116 8.0267 8.0267 8.1603 8.1603 8.1846 8.1846 8.3022 8.3022 8.5596 8.5596 8.5795 8.5795 k = 0.0000 0.0000 0.3391 ( 14431 PWs) bands (ev): 0.0615 0.0615 2.2978 2.2978 2.3440 2.3440 2.6117 2.6117 2.6137 2.6137 2.7148 2.7148 2.7314 2.7314 3.8322 3.8322 4.5624 4.5624 4.6383 4.6383 4.6573 4.6573 5.2699 5.2699 5.2909 5.2909 5.4025 5.4025 5.7995 5.7995 5.8055 5.8055 6.2416 6.2416 6.2638 6.2638 6.2789 6.2789 6.4914 6.4914 6.5906 6.5906 6.6336 6.6336 6.6380 6.6380 6.6416 6.6416 6.6551 6.6551 7.2654 7.2654 7.3559 7.3559 7.3863 7.3863 7.4400 7.4400 7.4553 7.4553 7.8489 7.8489 8.0152 8.0152 8.0315 8.0315 8.1628 8.1628 8.1895 8.1895 8.3017 8.3017 8.4979 8.4979 8.5668 8.5668 k = 0.0000 0.0000 0.3652 ( 14407 PWs) bands (ev): 0.1036 0.1036 2.2068 2.2068 2.3733 2.3733 2.6378 2.6378 2.6397 2.6397 2.7443 2.7443 2.7608 2.7608 3.7785 3.7785 4.5944 4.5944 4.6091 4.6091 4.6144 4.6144 5.2068 5.2068 5.2259 5.2259 5.4571 5.4571 5.8047 5.8047 5.8096 5.8096 6.1987 6.1987 6.2418 6.2418 6.2565 6.2565 6.5683 6.5683 6.6272 6.6272 6.6610 6.6610 6.6643 6.6643 6.6666 6.6666 6.6751 6.6751 7.2866 7.2866 7.3641 7.3641 7.3944 7.3944 7.4624 7.4624 7.4791 7.4791 7.8827 7.8827 8.0207 8.0207 8.0381 8.0381 8.1648 8.1648 8.1940 8.1940 8.3010 8.3010 8.4206 8.4206 8.5720 8.5720 k = 0.0000 0.0000 0.3913 ( 14449 PWs) bands (ev): 0.1486 0.1486 2.1149 2.1149 2.4046 2.4046 2.6652 2.6652 2.6669 2.6669 2.7746 2.7746 2.7911 2.7911 3.7227 3.7227 4.5513 4.5513 4.5723 4.5723 4.6580 4.6580 5.1412 5.1412 5.1589 5.1589 5.5156 5.5156 5.8113 5.8113 5.8152 5.8152 6.1535 6.1535 6.2196 6.2196 6.2339 6.2339 6.6427 6.6427 6.6626 6.6626 6.6815 6.6815 6.6931 6.6931 6.6945 6.6945 6.6972 6.6972 7.3054 7.3054 7.3711 7.3711 7.4013 7.4013 7.4820 7.4820 7.5003 7.5003 7.9172 7.9172 8.0277 8.0277 8.0464 8.0464 8.1663 8.1663 8.1980 8.1980 8.2999 8.2999 8.3497 8.3497 8.5752 8.5752 k = 0.0000 0.0000 0.4174 ( 14455 PWs) bands (ev): 0.1964 0.1964 2.0228 2.0228 2.4379 2.4379 2.6938 2.6938 2.6952 2.6952 2.8054 2.8054 2.8218 2.8218 3.6655 3.6655 4.5097 4.5097 4.5316 4.5316 4.7091 4.7091 5.0742 5.0742 5.0906 5.0906 5.5775 5.5775 5.8191 5.8191 5.8220 5.8220 6.1063 6.1063 6.1973 6.1973 6.2112 6.2112 6.6960 6.6960 6.6988 6.6988 6.7147 6.7147 6.7180 6.7180 6.7237 6.7237 6.7239 6.7239 7.3199 7.3199 7.3772 7.3772 7.4072 7.4072 7.4985 7.4985 7.5184 7.5184 7.9519 7.9519 8.0362 8.0362 8.0562 8.0562 8.1673 8.1673 8.2013 8.2013 8.2876 8.2876 8.2987 8.2987 8.5763 8.5763 k = 0.0000 0.0000 0.4434 ( 14437 PWs) bands (ev): 0.2471 0.2471 1.9305 1.9305 2.4730 2.4730 2.7232 2.7232 2.7244 2.7244 2.8361 2.8361 2.8525 2.8525 3.6071 3.6071 4.4703 4.4703 4.4928 4.4928 4.7617 4.7617 5.0068 5.0068 5.0217 5.0217 5.6423 5.6423 5.8279 5.8279 5.8299 5.8299 6.0570 6.0570 6.1752 6.1752 6.1887 6.1887 6.7211 6.7211 6.7267 6.7267 6.7354 6.7354 6.7505 6.7505 6.7514 6.7514 6.7851 6.7851 7.3279 7.3279 7.3824 7.3824 7.4124 7.4124 7.5114 7.5114 7.5330 7.5330 7.9862 7.9862 8.0458 8.0458 8.0671 8.0671 8.1680 8.1680 8.2037 8.2037 8.2380 8.2380 8.2969 8.2969 8.5755 8.5755 k = 0.0000 0.0000 0.4695 ( 14424 PWs) bands (ev): 0.3006 0.3006 1.8385 1.8385 2.5100 2.5100 2.7533 2.7533 2.7542 2.7542 2.8664 2.8664 2.8826 2.8826 3.5480 3.5480 4.4336 4.4336 4.4568 4.4568 4.8145 4.8145 4.9406 4.9406 4.9527 4.9527 5.7096 5.7096 5.8375 5.8375 5.8388 5.8388 6.0060 6.0060 6.1534 6.1534 6.1663 6.1663 6.7421 6.7421 6.7539 6.7539 6.7560 6.7560 6.7759 6.7759 6.7766 6.7766 6.8493 6.8493 7.3276 7.3276 7.3871 7.3871 7.4171 7.4171 7.5205 7.5205 7.5437 7.5437 8.0196 8.0196 8.0561 8.0561 8.0788 8.0788 8.1683 8.1683 8.1980 8.1980 8.2100 8.2100 8.2948 8.2948 8.5729 8.5729 k = 0.0000 0.0000 0.4956 ( 14454 PWs) bands (ev): 0.3567 0.3567 1.7470 1.7470 2.5488 2.5488 2.7838 2.7838 2.7843 2.7843 2.8955 2.8955 2.9115 2.9115 3.4886 3.4886 4.4004 4.4004 4.4241 4.4241 4.8480 4.8480 4.8843 4.8843 4.8959 4.8959 5.7790 5.7790 5.8478 5.8478 5.8489 5.8489 5.9533 5.9533 6.1320 6.1320 6.1443 6.1443 6.7628 6.7628 6.7763 6.7763 6.7763 6.7763 6.7990 6.7990 6.7995 6.7995 6.9088 6.9088 7.3180 7.3180 7.3916 7.3916 7.4217 7.4217 7.5257 7.5257 7.5506 7.5506 8.0518 8.0518 8.0669 8.0669 8.0911 8.0911 8.1682 8.1682 8.1805 8.1805 8.2093 8.2093 8.2925 8.2925 8.5686 8.5686 k = 0.0000 0.0000 0.5217 ( 14436 PWs) bands (ev): 0.4156 0.4156 1.6561 1.6561 2.5893 2.5893 2.8144 2.8144 2.8144 2.8144 2.9228 2.9228 2.9385 2.9385 3.4291 3.4291 4.3715 4.3715 4.3956 4.3956 4.7968 4.7968 4.8170 4.8170 4.9381 4.9381 5.8452 5.8452 5.8589 5.8589 5.8650 5.8650 5.8991 5.8991 6.1110 6.1110 6.1228 6.1228 6.7831 6.7831 6.7913 6.7913 6.7961 6.7961 6.8189 6.8189 6.8212 6.8212 6.9630 6.9630 7.3001 7.3001 7.3961 7.3961 7.4264 7.4264 7.5272 7.5272 7.5536 7.5536 8.0778 8.0778 8.0820 8.0820 8.1037 8.1037 8.1679 8.1679 8.1771 8.1771 8.2098 8.2098 8.2897 8.2897 8.5626 8.5626 k = 0.0000 0.0000 0.5478 ( 14424 PWs) bands (ev): 0.4770 0.4770 1.5661 1.5661 2.6316 2.6316 2.8441 2.8441 2.8447 2.8447 2.9477 2.9477 2.9629 2.9629 3.3697 3.3697 4.3477 4.3477 4.3719 4.3719 4.7332 4.7332 4.7515 4.7515 4.9955 4.9955 5.8434 5.8434 5.8672 5.8672 5.8706 5.8706 5.9280 5.9280 6.0905 6.0905 6.1017 6.1017 6.7955 6.7955 6.8027 6.8027 6.8151 6.8151 6.8371 6.8371 6.8407 6.8407 7.0113 7.0113 7.2770 7.2770 7.4010 7.4010 7.4315 7.4315 7.5253 7.5253 7.5532 7.5532 8.0886 8.0886 8.1093 8.1093 8.1171 8.1171 8.1671 8.1671 8.1880 8.1880 8.2097 8.2097 8.2865 8.2865 8.5548 8.5548 k = 0.0000 0.0000 0.5739 ( 14442 PWs) bands (ev): 0.5410 0.5410 1.4772 1.4772 2.6756 2.6756 2.8731 2.8731 2.8743 2.8743 2.9693 2.9693 2.9840 2.9840 3.3106 3.3106 4.3298 4.3298 4.3540 4.3540 4.6706 4.6706 4.6883 4.6883 5.0551 5.0551 5.7864 5.7864 5.8796 5.8796 5.8830 5.8830 6.0029 6.0029 6.0705 6.0705 6.0811 6.0811 6.7865 6.7865 6.8212 6.8212 6.8329 6.8329 6.8534 6.8534 6.8577 6.8577 7.0534 7.0534 7.2529 7.2529 7.4065 7.4065 7.4373 7.4373 7.5204 7.5204 7.5495 7.5495 8.0990 8.0990 8.1264 8.1264 8.1379 8.1379 8.1659 8.1659 8.2068 8.2068 8.2125 8.2125 8.2828 8.2828 8.5450 8.5450 k = 0.0000 0.0000 0.5999 ( 14454 PWs) bands (ev): 0.6074 0.6074 1.3895 1.3895 2.7211 2.7211 2.9008 2.9008 2.9028 2.9028 2.9870 2.9870 3.0010 3.0010 3.2521 3.2521 4.3186 4.3186 4.3426 4.3426 4.6106 4.6106 4.6282 4.6282 5.1157 5.1157 5.7283 5.7283 5.8921 5.8921 5.8960 5.8960 6.0511 6.0511 6.0611 6.0611 6.0797 6.0797 6.7627 6.7627 6.8383 6.8383 6.8493 6.8493 6.8673 6.8673 6.8719 6.8719 7.0892 7.0892 7.2318 7.2318 7.4128 7.4128 7.4439 7.4439 7.5131 7.5131 7.5432 7.5432 8.1088 8.1088 8.1382 8.1382 8.1609 8.1609 8.1643 8.1643 8.2062 8.2062 8.2417 8.2417 8.2786 8.2786 8.5330 8.5330 k = 0.0000 0.0000 0.6260 ( 14478 PWs) bands (ev): 0.6762 0.6762 1.3031 1.3031 2.7682 2.7682 2.9268 2.9268 2.9296 2.9296 3.0001 3.0001 3.0132 3.0132 3.1943 3.1943 4.3147 4.3147 4.3382 4.3382 4.5540 4.5540 4.5719 4.5719 5.1771 5.1771 5.6692 5.6692 5.9051 5.9051 5.9096 5.9096 6.0323 6.0323 6.0417 6.0417 6.1577 6.1577 6.7243 6.7243 6.8536 6.8536 6.8638 6.8638 6.8783 6.8783 6.8833 6.8833 7.1188 7.1188 7.2159 7.2159 7.4200 7.4200 7.4514 7.4514 7.5039 7.5039 7.5347 7.5347 8.1179 8.1179 8.1490 8.1490 8.1620 8.1620 8.1817 8.1817 8.2035 8.2035 8.2710 8.2710 8.2799 8.2799 8.5182 8.5182 k = 0.0000 0.0000 0.6521 ( 14466 PWs) bands (ev): 0.7474 0.7474 1.2183 1.2183 2.8168 2.8168 2.9503 2.9503 2.9541 2.9541 3.0082 3.0082 3.0203 3.0203 3.1373 3.1373 4.3185 4.3185 4.3415 4.3415 4.5017 4.5017 4.5200 4.5200 5.2390 5.2390 5.6092 5.6092 5.9188 5.9188 5.9239 5.9239 6.0141 6.0141 6.0230 6.0230 6.2364 6.2364 6.6730 6.6730 6.8668 6.8668 6.8762 6.8762 6.8862 6.8862 6.8916 6.8916 7.1424 7.1424 7.2050 7.2050 7.4283 7.4283 7.4599 7.4599 7.4933 7.4933 7.5247 7.5247 8.1263 8.1263 8.1589 8.1589 8.1591 8.1591 8.1998 8.1998 8.2001 8.2001 8.2668 8.2668 8.3161 8.3161 8.5003 8.5003 k = 0.0000 0.0000 0.6782 ( 14460 PWs) bands (ev): 0.8208 0.8208 1.1350 1.1350 2.8668 2.8668 2.9709 2.9709 2.9755 2.9755 3.0109 3.0109 3.0219 3.0219 3.0814 3.0814 4.3304 4.3304 4.3527 4.3527 4.4544 4.4544 4.4733 4.4733 5.3011 5.3011 5.5484 5.5484 5.9330 5.9330 5.9388 5.9388 5.9966 5.9966 6.0048 6.0048 6.3151 6.3151 6.6116 6.6116 6.8775 6.8775 6.8862 6.8862 6.8909 6.8909 6.8968 6.8968 7.1606 7.1606 7.1974 7.1974 7.4376 7.4376 7.4694 7.4694 7.4820 7.4820 7.5138 7.5138 8.1338 8.1338 8.1556 8.1556 8.1679 8.1679 8.1952 8.1952 8.2160 8.2160 8.2598 8.2598 8.3540 8.3540 8.4787 8.4787 k = 0.0000 0.0000 0.7043 ( 14472 PWs) bands (ev): 0.8964 0.8964 1.0536 1.0536 2.9180 2.9180 2.9878 2.9878 2.9921 2.9921 3.0083 3.0083 3.0182 3.0182 3.0278 3.0278 4.3504 4.3504 4.3718 4.3718 4.4129 4.4129 4.4326 4.4326 5.3633 5.3633 5.4871 5.4871 5.9480 5.9480 5.9543 5.9543 5.9797 5.9797 5.9873 5.9873 6.3932 6.3932 6.5430 6.5430 6.8855 6.8855 6.8923 6.8923 6.8934 6.8934 6.8988 6.8988 7.1740 7.1740 7.1909 7.1909 7.4478 7.4478 7.4704 7.4704 7.4798 7.4798 7.5023 7.5023 8.1404 8.1404 8.1513 8.1513 8.1761 8.1761 8.1897 8.1897 8.2297 8.2297 8.2514 8.2514 8.3903 8.3903 8.4531 8.4531 k = 0.0000 0.0000 0.7304 ( 14496 PWs) bands (ev): 0.9740 0.9740 0.9740 0.9740 2.9696 2.9696 2.9696 2.9696 3.0004 3.0004 3.0004 3.0004 3.0103 3.0103 3.0103 3.0103 4.3780 4.3780 4.3780 4.3780 4.3986 4.3986 4.3986 4.3986 5.4253 5.4253 5.4253 5.4253 5.9635 5.9635 5.9635 5.9635 5.9705 5.9705 5.9705 5.9705 6.4696 6.4696 6.4696 6.4696 6.8905 6.8905 6.8905 6.8905 6.8977 6.8977 6.8977 6.8977 7.1837 7.1837 7.1837 7.1837 7.4588 7.4588 7.4588 7.4588 7.4909 7.4909 7.4909 7.4909 8.1463 8.1463 8.1463 8.1463 8.1833 8.1833 8.1833 8.1833 8.2414 8.2414 8.2414 8.2414 8.4236 8.4236 8.4236 8.4236 k = 0.0000 0.0000 0.7304 ( 14496 PWs) bands (ev): 0.9740 0.9740 0.9740 0.9740 2.9696 2.9696 2.9696 2.9696 3.0004 3.0004 3.0004 3.0004 3.0103 3.0103 3.0103 3.0103 4.3780 4.3780 4.3780 4.3780 4.3986 4.3986 4.3986 4.3986 5.4253 5.4253 5.4253 5.4253 5.9635 5.9635 5.9635 5.9635 5.9705 5.9705 5.9705 5.9705 6.4696 6.4696 6.4696 6.4696 6.8905 6.8905 6.8905 6.8905 6.8977 6.8977 6.8977 6.8977 7.1837 7.1837 7.1837 7.1837 7.4588 7.4588 7.4588 7.4588 7.4909 7.4909 7.4909 7.4909 8.1463 8.1463 8.1463 8.1463 8.1833 8.1833 8.1833 8.1833 8.2414 8.2414 8.2414 8.2414 8.4236 8.4236 8.4236 8.4236 k = 0.0227 0.0131 0.7304 ( 14480 PWs) bands (ev): 0.9752 0.9752 0.9752 0.9752 2.9597 2.9597 2.9598 2.9598 3.0007 3.0007 3.0011 3.0011 3.0137 3.0137 3.0140 3.0140 4.3798 4.3798 4.3800 4.3800 4.4014 4.4014 4.4016 4.4016 5.4291 5.4291 5.4291 5.4291 5.9612 5.9612 5.9619 5.9619 5.9701 5.9701 5.9708 5.9708 6.4711 6.4711 6.4711 6.4711 6.8884 6.8884 6.8886 6.8886 6.8962 6.8962 6.8964 6.8964 7.1851 7.1851 7.1851 7.1851 7.4595 7.4595 7.4596 7.4596 7.4914 7.4914 7.4915 7.4915 8.1403 8.1403 8.1409 8.1409 8.1775 8.1775 8.1784 8.1784 8.2537 8.2537 8.2539 8.2539 8.4227 8.4227 8.4228 8.4228 k = 0.0455 0.0262 0.7304 ( 14484 PWs) bands (ev): 0.9788 0.9788 0.9788 0.9788 2.9375 2.9375 2.9380 2.9380 2.9965 2.9965 2.9977 2.9977 3.0221 3.0221 3.0228 3.0228 4.3806 4.3806 4.3816 4.3816 4.4141 4.4141 4.4150 4.4150 5.4402 5.4402 5.4403 5.4403 5.9509 5.9509 5.9531 5.9531 5.9731 5.9731 5.9753 5.9753 6.4753 6.4753 6.4753 6.4753 6.8805 6.8805 6.8814 6.8814 6.8940 6.8940 6.8949 6.8949 7.1890 7.1890 7.1891 7.1891 7.4610 7.4610 7.4617 7.4617 7.4931 7.4931 7.4937 7.4937 8.1217 8.1217 8.1246 8.1246 8.1714 8.1714 8.1752 8.1752 8.2792 8.2792 8.2799 8.2799 8.4204 8.4204 8.4205 8.4205 k = 0.0682 0.0394 0.7304 ( 14484 PWs) bands (ev): 0.9848 0.9848 0.9848 0.9848 2.9082 2.9082 2.9093 2.9093 2.9887 2.9887 2.9906 2.9906 3.0306 3.0306 3.0314 3.0314 4.3780 4.3780 4.3797 4.3797 4.4394 4.4394 4.4411 4.4411 5.4582 5.4582 5.4583 5.4583 5.9336 5.9336 5.9370 5.9370 5.9804 5.9804 5.9839 5.9839 6.4813 6.4813 6.4814 6.4814 6.8672 6.8672 6.8686 6.8686 6.8922 6.8922 6.8937 6.8937 7.1943 7.1943 7.1945 7.1945 7.4627 7.4627 7.4651 7.4651 7.4960 7.4960 7.4980 7.4980 8.0965 8.0965 8.1016 8.1016 8.1705 8.1705 8.1770 8.1770 8.3090 8.3090 8.3099 8.3099 8.4167 8.4167 8.4174 8.4174 k = 0.0909 0.0525 0.7304 ( 14474 PWs) bands (ev): 0.9931 0.9931 0.9931 0.9931 2.8732 2.8732 2.8747 2.8747 2.9788 2.9788 2.9814 2.9814 3.0374 3.0374 3.0383 3.0383 4.3734 4.3734 4.3757 4.3757 4.4755 4.4755 4.4776 4.4776 5.4821 5.4821 5.4824 5.4824 5.9108 5.9108 5.9153 5.9153 5.9912 5.9912 5.9959 5.9959 6.4878 6.4878 6.4881 6.4881 6.8507 6.8507 6.8525 6.8525 6.8904 6.8904 6.8924 6.8924 7.1998 7.1998 7.2003 7.2003 7.4641 7.4641 7.4692 7.4692 7.5003 7.5003 7.5044 7.5044 8.0694 8.0694 8.0763 8.0763 8.1730 8.1730 8.1815 8.1815 8.3401 8.3401 8.3401 8.3401 8.4126 8.4126 8.4148 8.4148 k = 0.1136 0.0656 0.7304 ( 14470 PWs) bands (ev): 1.0037 1.0037 1.0037 1.0037 2.8331 2.8331 2.8350 2.8350 2.9675 2.9675 2.9706 2.9706 3.0426 3.0426 3.0435 3.0435 4.3682 4.3682 4.3709 4.3709 4.5205 4.5205 4.5229 4.5229 5.5110 5.5110 5.5115 5.5115 5.8837 5.8837 5.8895 5.8895 6.0055 6.0055 6.0113 6.0113 6.4934 6.4934 6.4939 6.4939 6.8327 6.8327 6.8348 6.8348 6.8880 6.8880 6.8905 6.8905 7.2044 7.2044 7.2054 7.2054 7.4649 7.4649 7.4732 7.4732 7.5062 7.5062 7.5127 7.5127 8.0423 8.0423 8.0508 8.0508 8.1782 8.1782 8.1883 8.1883 8.3649 8.3649 8.3687 8.3687 8.4113 8.4113 8.4176 8.4176 k = 0.1364 0.0787 0.7304 ( 14470 PWs) bands (ev): 1.0165 1.0165 1.0165 1.0165 2.7887 2.7887 2.7910 2.7910 2.9552 2.9552 2.9588 2.9588 3.0460 3.0460 3.0469 3.0469 4.3631 4.3631 4.3660 4.3660 4.5729 4.5729 4.5756 4.5756 5.5435 5.5435 5.5447 5.5447 5.8536 5.8536 5.8607 5.8607 6.0231 6.0231 6.0299 6.0299 6.4965 6.4965 6.4972 6.4972 6.8148 6.8148 6.8171 6.8171 6.8850 6.8850 6.8879 6.8879 7.2075 7.2075 7.2089 7.2089 7.4653 7.4653 7.4769 7.4769 7.5135 7.5135 7.5222 7.5222 8.0159 8.0159 8.0259 8.0259 8.1859 8.1859 8.1970 8.1970 8.3748 8.3748 8.3822 8.3822 8.4253 8.4253 8.4356 8.4356 k = 0.1591 0.0919 0.7304 ( 14484 PWs) bands (ev): 1.0314 1.0314 1.0315 1.0315 2.7408 2.7408 2.7433 2.7433 2.9425 2.9425 2.9465 2.9465 3.0478 3.0478 3.0488 3.0488 4.3586 4.3586 4.3618 4.3618 4.6315 4.6315 4.6344 4.6344 5.5781 5.5781 5.5805 5.5805 5.8215 5.8215 5.8304 5.8304 6.0439 6.0439 6.0518 6.0518 6.4960 6.4960 6.4967 6.4967 6.7985 6.7985 6.8007 6.8007 6.8813 6.8813 6.8845 6.8845 7.2087 7.2087 7.2106 7.2106 7.4653 7.4653 7.4801 7.4801 7.5216 7.5216 7.5322 7.5322 7.9907 7.9907 8.0019 8.0019 8.1962 8.1962 8.2076 8.2076 8.3725 8.3725 8.3796 8.3796 8.4558 8.4558 8.4659 8.4659 k = 0.1818 0.1050 0.7304 ( 14488 PWs) bands (ev): 1.0484 1.0484 1.0484 1.0484 2.6903 2.6903 2.6929 2.6929 2.9295 2.9295 2.9339 2.9339 3.0483 3.0483 3.0493 3.0493 4.3552 4.3552 4.3585 4.3585 4.6953 4.6953 4.6982 4.6982 5.6126 5.6126 5.6174 5.6174 5.7887 5.7887 5.8006 5.8006 6.0678 6.0678 6.0766 6.0766 6.4907 6.4907 6.4913 6.4913 6.7846 6.7846 6.7865 6.7865 6.8767 6.8767 6.8801 6.8801 7.2077 7.2077 7.2101 7.2101 7.4653 7.4653 7.4829 7.4829 7.5299 7.5299 7.5419 7.5419 7.9670 7.9670 7.9792 7.9792 8.2088 8.2088 8.2199 8.2199 8.3663 8.3663 8.3733 8.3733 8.4910 8.4910 8.5006 8.5006 k = 0.2045 0.1181 0.7304 ( 14484 PWs) bands (ev): 1.0673 1.0673 1.0673 1.0673 2.6379 2.6379 2.6406 2.6406 2.9166 2.9166 2.9212 2.9212 3.0475 3.0475 3.0485 3.0485 4.3532 4.3532 4.3565 4.3565 4.7633 4.7633 4.7662 4.7662 5.6427 5.6427 5.6526 5.6526 5.7578 5.7578 5.7750 5.7750 6.0943 6.0943 6.1038 6.1038 6.4804 6.4804 6.4807 6.4807 6.7735 6.7735 6.7748 6.7748 6.8712 6.8712 6.8748 6.8748 7.2048 7.2048 7.2075 7.2075 7.4653 7.4653 7.4854 7.4854 7.5376 7.5376 7.5508 7.5508 7.9453 7.9453 7.9582 7.9582 8.2233 8.2233 8.2334 8.2334 8.3594 8.3594 8.3667 8.3667 8.5276 8.5276 8.5370 8.5370 k = 0.2273 0.1312 0.7304 ( 14476 PWs) bands (ev): 1.0878 1.0878 1.0879 1.0879 2.5845 2.5845 2.5872 2.5872 2.9039 2.9039 2.9086 2.9086 3.0456 3.0456 3.0468 3.0468 4.3527 4.3527 4.3560 4.3560 4.8348 4.8348 4.8374 4.8374 5.6586 5.6586 5.6753 5.6753 5.7394 5.7394 5.7635 5.7635 6.1226 6.1226 6.1325 6.1325 6.4654 6.4654 6.4656 6.4656 6.7649 6.7649 6.7654 6.7654 6.8649 6.8649 6.8683 6.8683 7.2000 7.2000 7.2029 7.2029 7.4653 7.4653 7.4876 7.4876 7.5443 7.5443 7.5584 7.5584 7.9258 7.9258 7.9391 7.9391 8.2388 8.2388 8.2471 8.2471 8.3531 8.3531 8.3611 8.3611 8.5649 8.5649 8.5743 8.5743 k = 0.2500 0.1443 0.7304 ( 14462 PWs) bands (ev): 1.1099 1.1099 1.1100 1.1100 2.5308 2.5308 2.5334 2.5334 2.8916 2.8916 2.8963 2.8963 3.0429 3.0429 3.0441 3.0441 4.3538 4.3538 4.3569 4.3569 4.9088 4.9088 4.9113 4.9113 5.6500 5.6500 5.6634 5.6634 5.7553 5.7553 5.7759 5.7759 6.1511 6.1511 6.1609 6.1609 6.4470 6.4470 6.4481 6.4481 6.7575 6.7575 6.7581 6.7581 6.8579 6.8579 6.8610 6.8610 7.1937 7.1937 7.1966 7.1966 7.4654 7.4654 7.4895 7.4895 7.5497 7.5497 7.5646 7.5646 7.9088 7.9088 7.9222 7.9222 8.2541 8.2541 8.2597 8.2597 8.3485 8.3485 8.3579 8.3579 8.6025 8.6025 8.6118 8.6118 k = 0.2727 0.1575 0.7304 ( 14488 PWs) bands (ev): 1.1332 1.1332 1.1333 1.1333 2.4774 2.4774 2.4800 2.4800 2.8798 2.8798 2.8844 2.8844 3.0397 3.0397 3.0409 3.0409 4.3564 4.3564 4.3593 4.3593 4.9848 4.9848 4.9869 4.9869 5.6263 5.6263 5.6348 5.6348 5.7876 5.7876 5.8029 5.8029 6.1767 6.1767 6.1861 6.1861 6.4289 6.4289 6.4310 6.4310 6.7501 6.7501 6.7520 6.7520 6.8502 6.8502 6.8529 6.8529 7.1862 7.1862 7.1890 7.1890 7.4654 7.4654 7.4909 7.4909 7.5537 7.5537 7.5692 7.5692 7.8945 7.8945 7.9076 7.9076 8.2672 8.2672 8.2696 8.2696 8.3470 8.3470 8.3581 8.3581 8.6399 8.6399 8.6491 8.6491 k = 0.2955 0.1706 0.7304 ( 14474 PWs) bands (ev): 1.1574 1.1574 1.1575 1.1575 2.4251 2.4251 2.4275 2.4275 2.8687 2.8687 2.8732 2.8732 3.0360 3.0360 3.0372 3.0372 4.3603 4.3603 4.3629 4.3629 5.0622 5.0622 5.0638 5.0638 5.5980 5.5980 5.6041 5.6041 5.8218 5.8218 5.8340 5.8340 6.1942 6.1942 6.2023 6.2023 6.4161 6.4161 6.4199 6.4199 6.7423 6.7423 6.7454 6.7454 6.8422 6.8422 6.8443 6.8443 7.1778 7.1778 7.1804 7.1804 7.4653 7.4653 7.4916 7.4916 7.5564 7.5564 7.5724 7.5724 7.8829 7.8829 7.8955 7.8955 8.2758 8.2758 8.2764 8.2764 8.3500 8.3500 8.3623 8.3623 8.6765 8.6765 8.6858 8.6858 k = 0.3182 0.1837 0.7304 ( 14466 PWs) bands (ev): 1.1821 1.1821 1.1823 1.1823 2.3745 2.3745 2.3768 2.3768 2.8584 2.8584 2.8627 2.8627 3.0321 3.0321 3.0333 3.0333 4.3652 4.3652 4.3676 4.3676 5.1402 5.1402 5.1412 5.1412 5.5693 5.5693 5.5744 5.5744 5.8550 5.8550 5.8651 5.8651 6.1966 6.1966 6.2030 6.2030 6.4156 6.4156 6.4212 6.4212 6.7335 6.7335 6.7377 6.7377 6.8340 6.8340 6.8355 6.8355 7.1690 7.1690 7.1714 7.1714 7.4650 7.4650 7.4915 7.4915 7.5581 7.5581 7.5742 7.5742 7.8739 7.8739 7.8857 7.8857 8.2785 8.2785 8.2810 8.2810 8.3574 8.3574 8.3699 8.3699 8.7115 8.7115 8.7209 8.7209 k = 0.3409 0.1968 0.7304 ( 14470 PWs) bands (ev): 1.2069 1.2069 1.2070 1.2070 2.3265 2.3265 2.3286 2.3286 2.8491 2.8491 2.8530 2.8530 3.0282 3.0282 3.0294 3.0294 4.3708 4.3708 4.3730 4.3730 5.2183 5.2183 5.2183 5.2183 5.5419 5.5419 5.5469 5.5469 5.8861 5.8861 5.8948 5.8948 6.1806 6.1806 6.1855 6.1855 6.4302 6.4302 6.4372 6.4372 6.7235 6.7235 6.7284 6.7284 6.8257 6.8257 6.8267 6.8267 7.1601 7.1601 7.1622 7.1622 7.4646 7.4646 7.4904 7.4904 7.5591 7.5591 7.5748 7.5748 7.8674 7.8674 7.8781 7.8781 8.2789 8.2789 8.2822 8.2822 8.3675 8.3675 8.3791 8.3791 8.7439 8.7439 8.7533 8.7533 k = 0.3636 0.2099 0.7304 ( 14470 PWs) bands (ev): 1.2310 1.2310 1.2312 1.2312 2.2818 2.2818 2.2837 2.2837 2.8408 2.8408 2.8443 2.8443 3.0246 3.0246 3.0256 3.0256 4.3768 4.3768 4.3787 4.3787 5.2940 5.2940 5.2956 5.2956 5.5172 5.5172 5.5230 5.5230 5.9145 5.9145 5.9221 5.9221 6.1497 6.1497 6.1537 6.1537 6.4561 6.4561 6.4636 6.4636 6.7123 6.7123 6.7177 6.7177 6.8170 6.8170 6.8178 6.8178 7.1516 7.1516 7.1534 7.1534 7.4639 7.4639 7.4883 7.4883 7.5597 7.5597 7.5746 7.5746 7.8630 7.8630 7.8724 7.8724 8.2782 8.2782 8.2817 8.2817 8.3782 8.3782 8.3883 8.3883 8.7722 8.7722 8.7814 8.7814 k = 0.3864 0.2231 0.7304 ( 14456 PWs) bands (ev): 1.2539 1.2539 1.2541 1.2541 2.2414 2.2414 2.2430 2.2430 2.8336 2.8336 2.8367 2.8367 3.0212 3.0212 3.0222 3.0222 4.3828 4.3828 4.3843 4.3843 5.3654 5.3654 5.3702 5.3702 5.4967 5.4967 5.5051 5.5051 5.9392 5.9392 5.9462 5.9462 6.1091 6.1091 6.1129 6.1129 6.4876 6.4876 6.4949 6.4949 6.7006 6.7006 6.7058 6.7058 6.8080 6.8080 6.8087 6.8087 7.1438 7.1438 7.1453 7.1453 7.4632 7.4632 7.4851 7.4851 7.5602 7.5602 7.5736 7.5736 7.8602 7.8602 7.8683 7.8683 8.2773 8.2773 8.2807 8.2807 8.3880 8.3880 8.3965 8.3965 8.7948 8.7948 8.8033 8.8033 k = 0.4091 0.2362 0.7304 ( 14460 PWs) bands (ev): 1.2745 1.2745 1.2747 1.2747 2.2062 2.2062 2.2075 2.2075 2.8277 2.8277 2.8303 2.8303 3.0183 3.0183 3.0191 3.0191 4.3884 4.3884 4.3896 4.3896 5.4218 5.4218 5.4331 5.4331 5.4891 5.4891 5.5037 5.5037 5.9587 5.9587 5.9659 5.9659 6.0635 6.0635 6.0679 6.0679 6.5206 6.5206 6.5272 6.5272 6.6886 6.6886 6.6933 6.6933 6.7986 6.7986 6.7995 6.7995 7.1369 7.1369 7.1382 7.1382 7.4627 7.4627 7.4813 7.4813 7.5609 7.5609 7.5723 7.5723 7.8588 7.8588 7.8653 7.8653 8.2767 8.2767 8.2796 8.2796 8.3963 8.3963 8.4031 8.4031 8.8106 8.8106 8.8177 8.8177 k = 0.4318 0.2493 0.7304 ( 14464 PWs) bands (ev): 1.2921 1.2921 1.2923 1.2923 2.1772 2.1772 2.1782 2.1782 2.8232 2.8232 2.8251 2.8251 3.0160 3.0160 3.0166 3.0166 4.3932 4.3932 4.3941 4.3941 5.4388 5.4388 5.4466 5.4466 5.5311 5.5311 5.5417 5.5417 5.9669 5.9669 5.9757 5.9757 6.0206 6.0206 6.0270 6.0270 6.5522 6.5522 6.5579 6.5579 6.6770 6.6770 6.6809 6.6809 6.7892 6.7892 6.7902 6.7902 7.1314 7.1314 7.1323 7.1323 7.4624 7.4624 7.4770 7.4770 7.5618 7.5618 7.5707 7.5707 7.8582 7.8582 7.8632 7.8632 8.2764 8.2764 8.2788 8.2788 8.4028 8.4028 8.4079 8.4079 8.8198 8.8198 8.8252 8.8252 k = 0.4545 0.2624 0.7304 ( 14460 PWs) bands (ev): 1.3056 1.3056 1.3057 1.3057 2.1556 2.1556 2.1563 2.1563 2.8199 2.8199 2.8212 2.8212 3.0143 3.0143 3.0147 3.0147 4.3970 4.3970 4.3976 4.3976 5.4356 5.4356 5.4392 5.4392 5.5914 5.5914 5.5974 5.5974 5.9454 5.9454 5.9508 5.9508 6.0086 6.0086 6.0119 6.0119 6.5804 6.5804 6.5849 6.5849 6.6659 6.6659 6.6688 6.6688 6.7808 6.7808 6.7818 6.7818 7.1273 7.1273 7.1279 7.1279 7.4628 7.4628 7.4728 7.4728 7.5629 7.5629 7.5690 7.5690 7.8583 7.8583 7.8617 7.8617 8.2765 8.2765 8.2782 8.2782 8.4075 8.4075 8.4109 8.4109 8.8242 8.8242 8.8277 8.8277 k = 0.4773 0.2756 0.7304 ( 14454 PWs) bands (ev): 1.3141 1.3141 1.3142 1.3142 2.1423 2.1423 2.1426 2.1426 2.8181 2.8181 2.8188 2.8188 3.0133 3.0133 3.0135 3.0135 4.3994 4.3994 4.3997 4.3997 5.4315 5.4315 5.4330 5.4330 5.6412 5.6412 5.6443 5.6443 5.9102 5.9102 5.9125 5.9125 6.0130 6.0130 6.0139 6.0139 6.6027 6.6027 6.6055 6.6055 6.6558 6.6558 6.6577 6.6577 6.7748 6.7748 6.7754 6.7754 7.1249 7.1249 7.1252 7.1252 7.4639 7.4639 7.4691 7.4691 7.5642 7.5642 7.5673 7.5673 7.8588 7.8588 7.8605 7.8605 8.2768 8.2768 8.2776 8.2776 8.4106 8.4106 8.4123 8.4123 8.8260 8.8260 8.8277 8.8277 k = 0.5000 0.2887 0.7304 ( 14464 PWs) bands (ev): 1.3171 1.3171 1.3171 1.3171 2.1379 2.1379 2.1379 2.1379 2.8177 2.8177 2.8177 2.8177 3.0130 3.0130 3.0130 3.0130 4.4003 4.4003 4.4003 4.4003 5.4304 5.4304 5.4304 5.4304 5.6631 5.6631 5.6631 5.6631 5.8943 5.8943 5.8943 5.8943 6.0153 6.0153 6.0153 6.0153 6.6136 6.6136 6.6136 6.6136 6.6512 6.6512 6.6512 6.6512 6.7728 6.7728 6.7728 6.7728 7.1241 7.1241 7.1241 7.1241 7.4660 7.4660 7.4660 7.4660 7.5657 7.5657 7.5657 7.5657 7.8595 7.8595 7.8595 7.8595 8.2772 8.2772 8.2772 8.2772 8.4122 8.4122 8.4122 8.4122 8.8269 8.8269 8.8269 8.8269 k = 0.5000 0.2887 0.7304 ( 14464 PWs) bands (ev): 1.3171 1.3171 1.3171 1.3171 2.1379 2.1379 2.1379 2.1379 2.8177 2.8177 2.8177 2.8177 3.0130 3.0130 3.0130 3.0130 4.4003 4.4003 4.4003 4.4003 5.4304 5.4304 5.4304 5.4304 5.6631 5.6631 5.6631 5.6631 5.8943 5.8943 5.8943 5.8943 6.0153 6.0153 6.0153 6.0153 6.6136 6.6136 6.6136 6.6136 6.6512 6.6512 6.6512 6.6512 6.7728 6.7728 6.7728 6.7728 7.1241 7.1241 7.1241 7.1241 7.4660 7.4660 7.4660 7.4660 7.5657 7.5657 7.5657 7.5657 7.8595 7.8595 7.8595 7.8595 8.2772 8.2772 8.2772 8.2772 8.4122 8.4122 8.4122 8.4122 8.8269 8.8269 8.8269 8.8269 k = 0.4872 0.3109 0.7304 ( 14460 PWs) bands (ev): 1.3177 1.3177 1.3177 1.3177 2.1390 2.1390 2.1390 2.1390 2.8070 2.8070 2.8070 2.8070 3.0210 3.0210 3.0210 3.0210 4.4035 4.4035 4.4035 4.4035 5.4164 5.4164 5.4164 5.4164 5.6761 5.6761 5.6761 5.6761 5.8935 5.8935 5.8935 5.8935 6.0174 6.0174 6.0174 6.0174 6.6138 6.6138 6.6138 6.6138 6.6509 6.6509 6.6509 6.6509 6.7720 6.7720 6.7720 6.7720 7.1225 7.1225 7.1225 7.1225 7.4671 7.4671 7.4671 7.4671 7.5661 7.5661 7.5661 7.5661 7.8579 7.8579 7.8579 7.8579 8.2773 8.2773 8.2773 8.2773 8.4131 8.4131 8.4131 8.4131 8.8231 8.8231 8.8231 8.8231 k = 0.4744 0.3331 0.7304 ( 14442 PWs) bands (ev): 1.3195 1.3195 1.3195 1.3195 2.1424 2.1424 2.1424 2.1424 2.7791 2.7791 2.7791 2.7791 3.0406 3.0406 3.0406 3.0406 4.4129 4.4129 4.4129 4.4129 5.3814 5.3814 5.3814 5.3814 5.7085 5.7085 5.7085 5.7085 5.8913 5.8913 5.8913 5.8913 6.0233 6.0233 6.0233 6.0233 6.6145 6.6145 6.6145 6.6145 6.6500 6.6500 6.6500 6.6500 6.7699 6.7699 6.7699 6.7699 7.1179 7.1179 7.1179 7.1179 7.4702 7.4702 7.4702 7.4702 7.5673 7.5673 7.5673 7.5673 7.8530 7.8530 7.8530 7.8530 8.2777 8.2777 8.2777 8.2777 8.4156 8.4156 8.4156 8.4156 8.8119 8.8119 8.8119 8.8119 k = 0.4615 0.3553 0.7304 ( 14458 PWs) bands (ev): 1.3225 1.3225 1.3225 1.3225 2.1480 2.1480 2.1480 2.1480 2.7411 2.7411 2.7411 2.7411 3.0651 3.0651 3.0651 3.0651 4.4284 4.4284 4.4284 4.4284 5.3354 5.3354 5.3354 5.3354 5.7498 5.7498 5.7498 5.7498 5.8886 5.8886 5.8886 5.8886 6.0322 6.0322 6.0322 6.0322 6.6157 6.6157 6.6157 6.6157 6.6485 6.6485 6.6485 6.6485 6.7663 6.7663 6.7663 6.7663 7.1106 7.1106 7.1106 7.1106 7.4752 7.4752 7.4752 7.4752 7.5691 7.5691 7.5691 7.5691 7.8450 7.8450 7.8450 7.8450 8.2786 8.2786 8.2786 8.2786 8.4197 8.4197 8.4197 8.4197 8.7945 8.7945 8.7945 8.7945 k = 0.4487 0.3775 0.7304 ( 14470 PWs) bands (ev): 1.3266 1.3266 1.3266 1.3266 2.1558 2.1558 2.1558 2.1558 2.6977 2.6977 2.6977 2.6977 3.0900 3.0900 3.0900 3.0900 4.4497 4.4497 4.4497 4.4497 5.2843 5.2843 5.2843 5.2843 5.7939 5.7939 5.7939 5.7939 5.8863 5.8863 5.8863 5.8863 6.0429 6.0429 6.0429 6.0429 6.6172 6.6172 6.6172 6.6172 6.6464 6.6464 6.6464 6.6464 6.7615 6.7615 6.7615 6.7615 7.1011 7.1011 7.1011 7.1011 7.4816 7.4816 7.4816 7.4816 7.5715 7.5715 7.5715 7.5715 7.8343 7.8343 7.8343 7.8343 8.2803 8.2803 8.2803 8.2803 8.4248 8.4248 8.4248 8.4248 8.7721 8.7721 8.7721 8.7721 k = 0.4359 0.3997 0.7304 ( 14474 PWs) bands (ev): 1.3316 1.3316 1.3316 1.3316 2.1658 2.1658 2.1658 2.1658 2.6514 2.6514 2.6514 2.6514 3.1134 3.1134 3.1134 3.1134 4.4765 4.4765 4.4765 4.4765 5.2307 5.2307 5.2307 5.2307 5.8374 5.8374 5.8374 5.8374 5.8857 5.8857 5.8857 5.8857 6.0543 6.0543 6.0543 6.0543 6.6189 6.6189 6.6189 6.6189 6.6439 6.6439 6.6439 6.6439 6.7556 6.7556 6.7556 6.7556 7.0903 7.0903 7.0903 7.0903 7.4893 7.4893 7.4893 7.4893 7.5743 7.5743 7.5743 7.5743 7.8213 7.8213 7.8213 7.8213 8.2831 8.2831 8.2831 8.2831 8.4304 8.4304 8.4304 8.4304 8.7467 8.7467 8.7467 8.7467 k = 0.4231 0.4219 0.7304 ( 14470 PWs) bands (ev): 1.3374 1.3374 1.3374 1.3374 2.1780 2.1780 2.1780 2.1780 2.6039 2.6039 2.6039 2.6039 3.1342 3.1342 3.1342 3.1342 4.5081 4.5081 4.5081 4.5081 5.1763 5.1763 5.1763 5.1763 5.8723 5.8723 5.8723 5.8723 5.8935 5.8935 5.8935 5.8935 6.0653 6.0653 6.0653 6.0653 6.6208 6.6208 6.6208 6.6208 6.6412 6.6412 6.6412 6.6412 6.7488 6.7488 6.7488 6.7488 7.0787 7.0787 7.0787 7.0787 7.4977 7.4977 7.4977 7.4977 7.5773 7.5773 7.5773 7.5773 7.8068 7.8068 7.8068 7.8068 8.2872 8.2872 8.2872 8.2872 8.4357 8.4357 8.4357 8.4357 8.7199 8.7199 8.7199 8.7199 k = 0.4103 0.4441 0.7304 ( 14486 PWs) bands (ev): 1.3437 1.3437 1.3437 1.3437 2.1923 2.1923 2.1923 2.1923 2.5564 2.5564 2.5564 2.5564 3.1519 3.1519 3.1519 3.1519 4.5440 4.5440 4.5440 4.5440 5.1216 5.1216 5.1216 5.1216 5.8817 5.8817 5.8817 5.8817 5.9256 5.9256 5.9256 5.9256 6.0750 6.0750 6.0750 6.0750 6.6225 6.6225 6.6225 6.6225 6.6386 6.6386 6.6386 6.6386 6.7414 6.7414 6.7414 6.7414 7.0672 7.0672 7.0672 7.0672 7.5067 7.5067 7.5067 7.5067 7.5801 7.5801 7.5801 7.5801 7.7914 7.7914 7.7914 7.7914 8.2931 8.2931 8.2931 8.2931 8.4395 8.4395 8.4395 8.4395 8.6938 8.6938 8.6938 8.6938 k = 0.3974 0.4663 0.7304 ( 14478 PWs) bands (ev): 1.3502 1.3502 1.3502 1.3502 2.2086 2.2086 2.2086 2.2086 2.5098 2.5098 2.5098 2.5098 3.1664 3.1664 3.1664 3.1664 4.5835 4.5835 4.5835 4.5835 5.0673 5.0673 5.0673 5.0673 5.8864 5.8864 5.8864 5.8864 5.9606 5.9606 5.9606 5.9606 6.0824 6.0824 6.0824 6.0824 6.6239 6.6239 6.6239 6.6239 6.6367 6.6367 6.6367 6.6367 6.7336 6.7336 6.7336 6.7336 7.0563 7.0563 7.0563 7.0563 7.5160 7.5160 7.5160 7.5160 7.5824 7.5824 7.5824 7.5824 7.7761 7.7761 7.7761 7.7761 8.3008 8.3008 8.3008 8.3008 8.4404 8.4404 8.4404 8.4404 8.6704 8.6704 8.6704 8.6704 k = 0.3846 0.4885 0.7304 ( 14454 PWs) bands (ev): 1.3566 1.3566 1.3566 1.3566 2.2271 2.2271 2.2271 2.2271 2.4650 2.4650 2.4650 2.4650 3.1778 3.1778 3.1778 3.1778 4.6260 4.6260 4.6260 4.6260 5.0138 5.0138 5.0138 5.0138 5.8923 5.8923 5.8923 5.8923 5.9915 5.9915 5.9915 5.9915 6.0868 6.0868 6.0868 6.0868 6.6245 6.6245 6.6245 6.6245 6.6362 6.6362 6.6362 6.6362 6.7257 6.7257 6.7257 6.7257 7.0467 7.0467 7.0467 7.0467 7.5254 7.5254 7.5254 7.5254 7.5836 7.5836 7.5836 7.5836 7.7618 7.7618 7.7618 7.7618 8.3107 8.3107 8.3107 8.3107 8.4367 8.4367 8.4367 8.4367 8.6517 8.6517 8.6517 8.6517 k = 0.3718 0.5107 0.7304 ( 14438 PWs) bands (ev): 1.3625 1.3625 1.3625 1.3625 2.2475 2.2475 2.2475 2.2475 2.4228 2.4228 2.4228 2.4228 3.1862 3.1862 3.1862 3.1862 4.6708 4.6708 4.6708 4.6708 4.9612 4.9612 4.9612 4.9612 5.8996 5.8996 5.8996 5.8996 6.0168 6.0168 6.0168 6.0168 6.0878 6.0878 6.0878 6.0878 6.6248 6.6248 6.6248 6.6248 6.6370 6.6370 6.6370 6.6370 6.7180 6.7180 6.7180 6.7180 7.0389 7.0389 7.0389 7.0389 7.5346 7.5346 7.5346 7.5346 7.5833 7.5833 7.5833 7.5833 7.7497 7.7497 7.7497 7.7497 8.3229 8.3229 8.3229 8.3229 8.4276 8.4276 8.4276 8.4276 8.6390 8.6390 8.6390 8.6390 k = 0.3590 0.5329 0.7304 ( 14434 PWs) bands (ev): 1.3673 1.3673 1.3673 1.3673 2.2698 2.2698 2.2698 2.2698 2.3841 2.3841 2.3841 2.3841 3.1919 3.1919 3.1919 3.1919 4.7170 4.7170 4.7170 4.7170 4.9100 4.9100 4.9100 4.9100 5.9078 5.9078 5.9078 5.9078 6.0353 6.0353 6.0353 6.0353 6.0861 6.0861 6.0861 6.0861 6.6259 6.6259 6.6259 6.6259 6.6380 6.6380 6.6380 6.6380 6.7109 6.7109 6.7109 6.7109 7.0331 7.0331 7.0331 7.0331 7.5432 7.5432 7.5432 7.5432 7.5812 7.5812 7.5812 7.5812 7.7406 7.7406 7.7406 7.7406 8.3376 8.3376 8.3376 8.3376 8.4132 8.4132 8.4132 8.4132 8.6319 8.6319 8.6319 8.6319 k = 0.3462 0.5551 0.7304 ( 14436 PWs) bands (ev): 1.3706 1.3706 1.3706 1.3706 2.2939 2.2939 2.2939 2.2939 2.3497 2.3497 2.3497 2.3497 3.1951 3.1951 3.1951 3.1951 4.7641 4.7641 4.7641 4.7641 4.8604 4.8604 4.8604 4.8604 5.9151 5.9151 5.9151 5.9151 6.0454 6.0454 6.0454 6.0454 6.0837 6.0837 6.0837 6.0837 6.6286 6.6286 6.6286 6.6286 6.6378 6.6378 6.6378 6.6378 6.7056 6.7056 6.7056 6.7056 7.0295 7.0295 7.0295 7.0295 7.5504 7.5504 7.5504 7.5504 7.5778 7.5778 7.5778 7.5778 7.7352 7.7352 7.7352 7.7352 8.3547 8.3547 8.3547 8.3547 8.3949 8.3949 8.3949 8.3949 8.6292 8.6292 8.6292 8.6292 k = 0.3333 0.5774 0.7304 ( 14448 PWs) bands (ev): 1.3718 1.3718 1.3718 1.3718 2.3166 2.3166 2.3166 2.3166 2.3233 2.3233 2.3233 2.3233 3.1961 3.1961 3.1961 3.1961 4.8063 4.8063 4.8063 4.8063 4.8174 4.8174 4.8174 4.8174 5.9186 5.9186 5.9186 5.9186 6.0477 6.0477 6.0477 6.0477 6.0830 6.0830 6.0830 6.0830 6.6321 6.6321 6.6321 6.6321 6.6357 6.6357 6.6357 6.6357 6.7035 6.7035 6.7035 6.7035 7.0283 7.0283 7.0283 7.0283 7.5537 7.5537 7.5537 7.5537 7.5756 7.5756 7.5756 7.5756 7.7334 7.7334 7.7334 7.7334 8.3743 8.3743 8.3743 8.3743 8.3745 8.3745 8.3745 8.3745 8.6287 8.6287 8.6287 8.6287 k = 0.3333 0.5774 0.7304 ( 14448 PWs) bands (ev): 1.3718 1.3718 1.3718 1.3718 2.3166 2.3166 2.3166 2.3166 2.3233 2.3233 2.3233 2.3233 3.1961 3.1961 3.1961 3.1961 4.8063 4.8063 4.8063 4.8063 4.8174 4.8174 4.8174 4.8174 5.9186 5.9186 5.9186 5.9186 6.0477 6.0477 6.0477 6.0477 6.0830 6.0830 6.0830 6.0830 6.6321 6.6321 6.6321 6.6321 6.6357 6.6357 6.6357 6.6357 6.7035 6.7035 6.7035 6.7035 7.0283 7.0283 7.0283 7.0283 7.5537 7.5537 7.5537 7.5537 7.5756 7.5756 7.5756 7.5756 7.7334 7.7334 7.7334 7.7334 8.3743 8.3743 8.3743 8.3743 8.3745 8.3745 8.3745 8.3745 8.6287 8.6287 8.6287 8.6287 k = 0.3200 0.5543 0.7304 ( 14440 PWs) bands (ev): 1.3703 1.3703 1.3703 1.3703 2.2951 2.2951 2.2951 2.2951 2.3489 2.3489 2.3489 2.3489 3.1951 3.1951 3.1951 3.1951 4.7633 4.7633 4.7633 4.7633 4.8610 4.8610 4.8610 4.8610 5.9130 5.9130 5.9130 5.9130 6.0482 6.0482 6.0482 6.0482 6.0830 6.0830 6.0830 6.0830 6.6246 6.6246 6.6246 6.6246 6.6413 6.6413 6.6413 6.6413 6.7060 6.7060 6.7060 6.7060 7.0296 7.0296 7.0296 7.0296 7.5499 7.5499 7.5499 7.5499 7.5783 7.5783 7.5783 7.5783 7.7351 7.7351 7.7351 7.7351 8.3526 8.3526 8.3526 8.3526 8.3975 8.3975 8.3975 8.3975 8.6286 8.6286 8.6286 8.6286 k = 0.3067 0.5312 0.7304 ( 14436 PWs) bands (ev): 1.3656 1.3656 1.3656 1.3656 2.2775 2.2775 2.2775 2.2775 2.3792 2.3792 2.3792 2.3792 3.1923 3.1923 3.1923 3.1923 4.7174 4.7174 4.7174 4.7174 4.9085 4.9085 4.9085 4.9085 5.8939 5.8939 5.8939 5.8939 6.0515 6.0515 6.0515 6.0515 6.0838 6.0838 6.0838 6.0838 6.6097 6.6097 6.6097 6.6097 6.6504 6.6504 6.6504 6.6504 6.7130 6.7130 6.7130 6.7130 7.0334 7.0334 7.0334 7.0334 7.5417 7.5417 7.5417 7.5417 7.5839 7.5839 7.5839 7.5839 7.7398 7.7398 7.7398 7.7398 8.3315 8.3315 8.3315 8.3315 8.4231 8.4231 8.4231 8.4231 8.6274 8.6274 8.6274 8.6274 k = 0.2933 0.5081 0.7304 ( 14448 PWs) bands (ev): 1.3572 1.3572 1.3572 1.3572 2.2670 2.2670 2.2670 2.2670 2.4110 2.4110 2.4110 2.4110 3.1880 3.1880 3.1880 3.1880 4.6736 4.6736 4.6736 4.6736 4.9540 4.9540 4.9540 4.9540 5.8626 5.8626 5.8626 5.8626 6.0505 6.0505 6.0505 6.0505 6.0930 6.0930 6.0930 6.0930 6.5895 6.5895 6.5895 6.5895 6.6610 6.6610 6.6610 6.6610 6.7234 6.7234 6.7234 6.7234 7.0395 7.0395 7.0395 7.0395 7.5323 7.5323 7.5323 7.5323 7.5897 7.5897 7.5897 7.5897 7.7468 7.7468 7.7468 7.7468 8.3119 8.3119 8.3119 8.3119 8.4508 8.4508 8.4508 8.4508 8.6239 8.6239 8.6239 8.6239 k = 0.2800 0.4850 0.7304 ( 14446 PWs) bands (ev): 1.3451 1.3451 1.3451 1.3451 2.2641 2.2641 2.2641 2.2641 2.4443 2.4443 2.4443 2.4443 3.1823 3.1823 3.1823 3.1823 4.6322 4.6322 4.6322 4.6322 4.9966 4.9966 4.9966 4.9966 5.8228 5.8228 5.8228 5.8228 6.0398 6.0398 6.0398 6.0398 6.1138 6.1138 6.1138 6.1138 6.5645 6.5645 6.5645 6.5645 6.6726 6.6726 6.6726 6.6726 6.7359 6.7359 6.7359 6.7359 7.0478 7.0478 7.0478 7.0478 7.5230 7.5230 7.5230 7.5230 7.5948 7.5948 7.5948 7.5948 7.7556 7.7556 7.7556 7.7556 8.2944 8.2944 8.2944 8.2944 8.4801 8.4801 8.4801 8.4801 8.6175 8.6175 8.6175 8.6175 k = 0.2667 0.4619 0.7304 ( 14456 PWs) bands (ev): 1.3295 1.3295 1.3295 1.3295 2.2685 2.2685 2.2685 2.2685 2.4787 2.4787 2.4787 2.4787 3.1756 3.1756 3.1756 3.1756 4.5934 4.5934 4.5934 4.5934 5.0350 5.0350 5.0350 5.0350 5.7786 5.7786 5.7786 5.7786 6.0228 6.0228 6.0228 6.0228 6.1414 6.1414 6.1414 6.1414 6.5353 6.5353 6.5353 6.5353 6.6844 6.6844 6.6844 6.6844 6.7497 6.7497 6.7497 6.7497 7.0581 7.0581 7.0581 7.0581 7.5143 7.5143 7.5143 7.5143 7.5987 7.5987 7.5987 7.5987 7.7659 7.7659 7.7659 7.7659 8.2792 8.2792 8.2792 8.2792 8.5101 8.5101 8.5101 8.5101 8.6077 8.6077 8.6077 8.6077 k = 0.2533 0.4388 0.7304 ( 14476 PWs) bands (ev): 1.3107 1.3107 1.3107 1.3107 2.2801 2.2801 2.2801 2.2801 2.5142 2.5142 2.5142 2.5142 3.1681 3.1681 3.1681 3.1681 4.5572 4.5572 4.5572 4.5572 5.0676 5.0676 5.0676 5.0676 5.7333 5.7333 5.7333 5.7333 6.0015 6.0015 6.0015 6.0015 6.1728 6.1728 6.1728 6.1728 6.5023 6.5023 6.5023 6.5023 6.6960 6.6960 6.6960 6.6960 6.7641 6.7641 6.7641 6.7641 7.0702 7.0702 7.0702 7.0702 7.5066 7.5066 7.5066 7.5066 7.6012 7.6012 7.6012 7.6012 7.7774 7.7774 7.7774 7.7774 8.2664 8.2664 8.2664 8.2664 8.5393 8.5393 8.5393 8.5393 8.5947 8.5947 8.5947 8.5947 k = 0.2400 0.4157 0.7304 ( 14480 PWs) bands (ev): 1.2893 1.2893 1.2893 1.2893 2.2983 2.2983 2.2983 2.2983 2.5504 2.5504 2.5504 2.5504 3.1599 3.1599 3.1599 3.1599 4.5238 4.5238 4.5238 4.5238 5.0920 5.0920 5.0920 5.0920 5.6906 5.6906 5.6906 5.6906 5.9769 5.9769 5.9769 5.9769 6.2064 6.2064 6.2064 6.2064 6.4660 6.4660 6.4660 6.4660 6.7070 6.7070 6.7070 6.7070 6.7787 6.7787 6.7787 6.7787 7.0837 7.0837 7.0837 7.0837 7.4999 7.4999 7.4999 7.4999 7.6022 7.6022 7.6022 7.6022 7.7900 7.7900 7.7900 7.7900 8.2561 8.2561 8.2561 8.2561 8.5643 8.5643 8.5643 8.5643 8.5808 8.5808 8.5808 8.5808 k = 0.2267 0.3926 0.7304 ( 14486 PWs) bands (ev): 1.2658 1.2658 1.2658 1.2658 2.3225 2.3225 2.3225 2.3225 2.5871 2.5871 2.5871 2.5871 3.1512 3.1512 3.1512 3.1512 4.4934 4.4934 4.4934 4.4934 5.1053 5.1053 5.1053 5.1053 5.6547 5.6547 5.6547 5.6547 5.9495 5.9495 5.9495 5.9495 6.2412 6.2412 6.2412 6.2412 6.4271 6.4271 6.4271 6.4271 6.7171 6.7171 6.7171 6.7171 6.7929 6.7929 6.7929 6.7929 7.0983 7.0983 7.0983 7.0983 7.4942 7.4942 7.4942 7.4942 7.6016 7.6016 7.6016 7.6016 7.8037 7.8037 7.8037 7.8037 8.2480 8.2480 8.2480 8.2480 8.5567 8.5567 8.5567 8.5567 8.5924 8.5924 8.5924 8.5924 k = 0.2133 0.3695 0.7304 ( 14478 PWs) bands (ev): 1.2409 1.2409 1.2409 1.2409 2.3520 2.3520 2.3520 2.3520 2.6242 2.6242 2.6242 2.6242 3.1422 3.1422 3.1422 3.1422 4.4660 4.4660 4.4660 4.4660 5.1042 5.1042 5.1042 5.1042 5.6296 5.6296 5.6296 5.6296 5.9198 5.9198 5.9198 5.9198 6.2764 6.2764 6.2764 6.2764 6.3863 6.3863 6.3863 6.3863 6.7261 6.7261 6.7261 6.7261 6.8066 6.8066 6.8066 6.8066 7.1136 7.1136 7.1136 7.1136 7.4894 7.4894 7.4894 7.4894 7.5994 7.5994 7.5994 7.5994 7.8182 7.8182 7.8182 7.8182 8.2418 8.2418 8.2418 8.2418 8.5358 8.5358 8.5358 8.5358 8.6088 8.6088 8.6088 8.6088 k = 0.2000 0.3464 0.7304 ( 14462 PWs) bands (ev): 1.2151 1.2151 1.2151 1.2151 2.3861 2.3861 2.3861 2.3861 2.6612 2.6612 2.6612 2.6612 3.1330 3.1330 3.1330 3.1330 4.4418 4.4418 4.4418 4.4418 5.0867 5.0867 5.0867 5.0867 5.6182 5.6182 5.6182 5.6182 5.8881 5.8881 5.8881 5.8881 6.3109 6.3109 6.3109 6.3109 6.3448 6.3448 6.3448 6.3448 6.7338 6.7338 6.7338 6.7338 6.8195 6.8195 6.8195 6.8195 7.1293 7.1293 7.1293 7.1293 7.4854 7.4854 7.4854 7.4854 7.5958 7.5958 7.5958 7.5958 7.8337 7.8337 7.8337 7.8337 8.2372 8.2372 8.2372 8.2372 8.5130 8.5130 8.5130 8.5130 8.6174 8.6174 8.6174 8.6174 k = 0.1867 0.3233 0.7304 ( 14492 PWs) bands (ev): 1.1892 1.1892 1.1892 1.1892 2.4241 2.4241 2.4241 2.4241 2.6979 2.6979 2.6979 2.6979 3.1238 3.1238 3.1238 3.1238 4.4208 4.4208 4.4208 4.4208 5.0534 5.0534 5.0534 5.0534 5.6206 5.6206 5.6206 5.6206 5.8545 5.8545 5.8545 5.8545 6.3003 6.3003 6.3003 6.3003 6.3470 6.3470 6.3470 6.3470 6.7404 6.7404 6.7404 6.7404 6.8314 6.8314 6.8314 6.8314 7.1447 7.1447 7.1447 7.1447 7.4822 7.4822 7.4822 7.4822 7.5908 7.5908 7.5908 7.5908 7.8501 7.8501 7.8501 7.8501 8.2336 8.2336 8.2336 8.2336 8.4897 8.4897 8.4897 8.4897 8.6168 8.6168 8.6168 8.6168 k = 0.1733 0.3002 0.7304 ( 14488 PWs) bands (ev): 1.1634 1.1634 1.1634 1.1634 2.4654 2.4654 2.4654 2.4654 2.7340 2.7340 2.7340 2.7340 3.1146 3.1146 3.1146 3.1146 4.4031 4.4031 4.4031 4.4031 5.0072 5.0072 5.0072 5.0072 5.6345 5.6345 5.6345 5.6345 5.8192 5.8192 5.8192 5.8192 6.2586 6.2586 6.2586 6.2586 6.3792 6.3792 6.3792 6.3792 6.7461 6.7461 6.7461 6.7461 6.8422 6.8422 6.8422 6.8422 7.1595 7.1595 7.1595 7.1595 7.4797 7.4797 7.4797 7.4797 7.5846 7.5846 7.5846 7.5846 7.8675 7.8675 7.8675 7.8675 8.2306 8.2306 8.2306 8.2306 8.4670 8.4670 8.4670 8.4670 8.6071 8.6071 8.6071 8.6071 k = 0.1600 0.2771 0.7304 ( 14468 PWs) bands (ev): 1.1383 1.1383 1.1383 1.1383 2.5094 2.5094 2.5094 2.5094 2.7691 2.7691 2.7691 2.7691 3.1055 3.1055 3.1055 3.1055 4.3888 4.3888 4.3888 4.3888 4.9518 4.9518 4.9518 4.9518 5.6568 5.6568 5.6568 5.6568 5.7826 5.7826 5.7826 5.7826 6.2176 6.2176 6.2176 6.2176 6.4095 6.4095 6.4095 6.4095 6.7514 6.7514 6.7514 6.7514 6.8519 6.8519 6.8519 6.8519 7.1730 7.1730 7.1730 7.1730 7.4777 7.4777 7.4777 7.4777 7.5773 7.5773 7.5773 7.5773 7.8859 7.8859 7.8859 7.8859 8.2273 8.2273 8.2273 8.2273 8.4464 8.4464 8.4464 8.4464 8.5898 8.5898 8.5898 8.5898 k = 0.1467 0.2540 0.7304 ( 14480 PWs) bands (ev): 1.1142 1.1142 1.1142 1.1142 2.5553 2.5553 2.5553 2.5553 2.8029 2.8029 2.8029 2.8029 3.0967 3.0967 3.0967 3.0967 4.3777 4.3777 4.3777 4.3777 4.8907 4.8907 4.8907 4.8907 5.6842 5.6842 5.6842 5.6842 5.7452 5.7452 5.7452 5.7452 6.1786 6.1786 6.1786 6.1786 6.4365 6.4365 6.4365 6.4365 6.7570 6.7570 6.7570 6.7570 6.8604 6.8604 6.8604 6.8604 7.1849 7.1849 7.1849 7.1849 7.4761 7.4761 7.4761 7.4761 7.5691 7.5691 7.5691 7.5691 7.9052 7.9052 7.9052 7.9052 8.2233 8.2233 8.2233 8.2233 8.4288 8.4288 8.4288 8.4288 8.5667 8.5667 8.5667 8.5667 k = 0.1333 0.2309 0.7304 ( 14470 PWs) bands (ev): 1.0915 1.0915 1.0915 1.0915 2.6026 2.6026 2.6026 2.6026 2.8350 2.8350 2.8350 2.8350 3.0881 3.0881 3.0881 3.0881 4.3699 4.3699 4.3699 4.3699 4.8264 4.8264 4.8264 4.8264 5.6987 5.6987 5.6987 5.6987 5.7231 5.7231 5.7231 5.7231 6.1421 6.1421 6.1421 6.1421 6.4594 6.4594 6.4594 6.4594 6.7635 6.7635 6.7635 6.7635 6.8677 6.8677 6.8677 6.8677 7.1946 7.1946 7.1946 7.1946 7.4748 7.4748 7.4748 7.4748 7.5602 7.5602 7.5602 7.5602 7.9257 7.9257 7.9257 7.9257 8.2179 8.2179 8.2179 8.2179 8.4154 8.4154 8.4154 8.4154 8.5395 8.5395 8.5395 8.5395 k = 0.1200 0.2078 0.7304 ( 14482 PWs) bands (ev): 1.0702 1.0702 1.0702 1.0702 2.6506 2.6506 2.6506 2.6506 2.8651 2.8651 2.8651 2.8651 3.0798 3.0798 3.0798 3.0798 4.3652 4.3652 4.3652 4.3652 4.7613 4.7613 4.7613 4.7613 5.6630 5.6630 5.6630 5.6630 5.7526 5.7526 5.7526 5.7526 6.1087 6.1087 6.1087 6.1087 6.4773 6.4773 6.4773 6.4773 6.7721 6.7721 6.7721 6.7721 6.8739 6.8739 6.8739 6.8739 7.2019 7.2019 7.2019 7.2019 7.4737 7.4737 7.4737 7.4737 7.5505 7.5505 7.5505 7.5505 7.9473 7.9473 7.9473 7.9473 8.2113 8.2113 8.2113 8.2113 8.4066 8.4066 8.4066 8.4066 8.5095 8.5095 8.5095 8.5095 k = 0.1067 0.1848 0.7304 ( 14478 PWs) bands (ev): 1.0508 1.0508 1.0508 1.0508 2.6985 2.6985 2.6985 2.6985 2.8929 2.8929 2.8929 2.8929 3.0718 3.0718 3.0718 3.0718 4.3633 4.3633 4.3633 4.3633 4.6970 4.6970 4.6970 4.6970 5.6237 5.6237 5.6237 5.6237 5.7866 5.7866 5.7866 5.7866 6.0786 6.0786 6.0786 6.0786 6.4894 6.4894 6.4894 6.4894 6.7833 6.7833 6.7833 6.7833 6.8791 6.8791 6.8791 6.8791 7.2066 7.2066 7.2066 7.2066 7.4728 7.4728 7.4728 7.4728 7.5403 7.5403 7.5403 7.5403 7.9700 7.9700 7.9700 7.9700 8.2037 8.2037 8.2037 8.2037 8.4021 8.4021 8.4021 8.4021 8.4778 8.4778 8.4778 8.4778 k = 0.0933 0.1617 0.7304 ( 14470 PWs) bands (ev): 1.0333 1.0333 1.0333 1.0333 2.7456 2.7456 2.7456 2.7456 2.9181 2.9181 2.9181 2.9181 3.0640 3.0640 3.0640 3.0640 4.3638 4.3638 4.3638 4.3638 4.6351 4.6351 4.6351 4.6351 5.5850 5.5850 5.5850 5.5850 5.8205 5.8205 5.8205 5.8205 6.0521 6.0521 6.0521 6.0521 6.4958 6.4958 6.4958 6.4958 6.7974 6.7974 6.7974 6.7974 6.8833 6.8833 6.8833 6.8833 7.2086 7.2086 7.2086 7.2086 7.4717 7.4717 7.4717 7.4717 7.5300 7.5300 7.5300 7.5300 7.9939 7.9939 7.9939 7.9939 8.1958 8.1958 8.1958 8.1958 8.4012 8.4012 8.4012 8.4012 8.4451 8.4451 8.4451 8.4451 k = 0.0800 0.1386 0.7304 ( 14462 PWs) bands (ev): 1.0179 1.0179 1.0179 1.0179 2.7910 2.7910 2.7910 2.7910 2.9404 2.9404 2.9404 2.9404 3.0564 3.0564 3.0564 3.0564 4.3664 4.3664 4.3664 4.3664 4.5771 4.5771 4.5771 4.5771 5.5480 5.5480 5.5480 5.5480 5.8533 5.8533 5.8533 5.8533 6.0293 6.0293 6.0293 6.0293 6.4969 6.4969 6.4969 6.4969 6.8140 6.8140 6.8140 6.8140 6.8867 6.8867 6.8867 6.8867 7.2080 7.2080 7.2080 7.2080 7.4704 7.4704 7.4704 7.4704 7.5199 7.5199 7.5199 7.5199 8.0189 8.0189 8.0189 8.0189 8.1883 8.1883 8.1883 8.1883 8.4011 8.4011 8.4011 8.4011 8.4138 8.4138 8.4138 8.4138 k = 0.0667 0.1155 0.7304 ( 14476 PWs) bands (ev): 1.0046 1.0046 1.0046 1.0046 2.8337 2.8337 2.8337 2.8337 2.9596 2.9596 2.9596 2.9596 3.0487 3.0487 3.0487 3.0487 4.3703 4.3703 4.3703 4.3703 4.5245 4.5245 4.5245 4.5245 5.5140 5.5140 5.5140 5.5140 5.8839 5.8839 5.8839 5.8839 6.0101 6.0101 6.0101 6.0101 6.4940 6.4940 6.4940 6.4940 6.8321 6.8321 6.8321 6.8321 6.8893 6.8893 6.8893 6.8893 7.2050 7.2050 7.2050 7.2050 7.4688 7.4688 7.4688 7.4688 7.5107 7.5107 7.5107 7.5107 8.0448 8.0448 8.0448 8.0448 8.1819 8.1819 8.1819 8.1819 8.3765 8.3765 8.3765 8.3765 8.4085 8.4085 8.4085 8.4085 k = 0.0533 0.0924 0.7304 ( 14484 PWs) bands (ev): 0.9937 0.9937 0.9937 0.9937 2.8729 2.8729 2.8729 2.8729 2.9755 2.9755 2.9755 2.9755 3.0408 3.0408 3.0408 3.0408 4.3747 4.3747 4.3747 4.3747 4.4788 4.4788 4.4788 4.4788 5.4840 5.4840 5.4840 5.4840 5.9112 5.9112 5.9112 5.9112 5.9946 5.9946 5.9946 5.9946 6.4883 6.4883 6.4883 6.4883 6.8503 6.8503 6.8503 6.8503 6.8914 6.8914 6.8914 6.8914 7.2003 7.2003 7.2003 7.2003 7.4666 7.4666 7.4666 7.4666 7.5030 7.5030 7.5030 7.5030 8.0713 8.0713 8.0713 8.0713 8.1769 8.1769 8.1769 8.1769 8.3437 8.3437 8.3437 8.3437 8.4125 8.4125 8.4125 8.4125 k = 0.0400 0.0693 0.7304 ( 14486 PWs) bands (ev): 0.9851 0.9851 0.9851 0.9851 2.9077 2.9077 2.9077 2.9077 2.9879 2.9879 2.9879 2.9879 3.0323 3.0323 3.0323 3.0323 4.3788 4.3788 4.3788 4.3788 4.4416 4.4416 4.4416 4.4416 5.4593 5.4593 5.4593 5.4593 5.9342 5.9342 5.9342 5.9342 5.9827 5.9827 5.9827 5.9827 6.4817 6.4817 6.4817 6.4817 6.8671 6.8671 6.8671 6.8671 6.8930 6.8930 6.8930 6.8930 7.1947 7.1947 7.1947 7.1947 7.4640 7.4640 7.4640 7.4640 7.4972 7.4972 7.4972 7.4972 8.0978 8.0978 8.0978 8.0978 8.1737 8.1737 8.1737 8.1737 8.3113 8.3113 8.3113 8.3113 8.4168 8.4168 8.4168 8.4168 k = 0.0267 0.0462 0.7304 ( 14474 PWs) bands (ev): 0.9789 0.9789 0.9789 0.9789 2.9370 2.9370 2.9370 2.9370 2.9966 2.9966 2.9966 2.9966 3.0230 3.0230 3.0230 3.0230 4.3811 4.3811 4.3811 4.3811 4.4152 4.4152 4.4152 4.4152 5.4407 5.4407 5.4407 5.4407 5.9515 5.9515 5.9515 5.9515 5.9745 5.9745 5.9745 5.9745 6.4755 6.4755 6.4755 6.4755 6.8806 6.8806 6.8806 6.8806 6.8944 6.8944 6.8944 6.8944 7.1892 7.1892 7.1892 7.1892 7.4614 7.4614 7.4614 7.4614 7.4935 7.4935 7.4935 7.4935 8.1224 8.1224 8.1224 8.1224 8.1732 8.1732 8.1732 8.1732 8.2805 8.2805 8.2805 8.2805 8.4204 8.4204 8.4204 8.4204 k = 0.0133 0.0231 0.7304 ( 14482 PWs) bands (ev): 0.9752 0.9752 0.9752 0.9752 2.9595 2.9595 2.9595 2.9595 3.0009 3.0009 3.0009 3.0009 3.0139 3.0139 3.0139 3.0139 4.3799 4.3799 4.3799 4.3799 4.4016 4.4016 4.4016 4.4016 5.4292 5.4292 5.4292 5.4292 5.9615 5.9615 5.9615 5.9615 5.9705 5.9705 5.9705 5.9705 6.4711 6.4711 6.4711 6.4711 6.8885 6.8885 6.8885 6.8885 6.8963 6.8963 6.8963 6.8963 7.1852 7.1852 7.1852 7.1852 7.4595 7.4595 7.4595 7.4595 7.4915 7.4915 7.4915 7.4915 8.1404 8.1404 8.1404 8.1404 8.1778 8.1778 8.1778 8.1778 8.2541 8.2541 8.2541 8.2541 8.4227 8.4227 8.4227 8.4227 k = 0.0000 0.0000 0.7304 ( 14496 PWs) bands (ev): 0.9740 0.9740 0.9740 0.9740 2.9696 2.9696 2.9696 2.9696 3.0004 3.0004 3.0004 3.0004 3.0103 3.0103 3.0103 3.0103 4.3780 4.3780 4.3780 4.3780 4.3986 4.3986 4.3986 4.3986 5.4253 5.4253 5.4253 5.4253 5.9635 5.9635 5.9635 5.9635 5.9705 5.9705 5.9705 5.9705 6.4696 6.4696 6.4696 6.4696 6.8905 6.8905 6.8905 6.8905 6.8977 6.8977 6.8977 6.8977 7.1837 7.1837 7.1837 7.1837 7.4588 7.4588 7.4588 7.4588 7.4909 7.4909 7.4909 7.4909 8.1463 8.1463 8.1463 8.1463 8.1833 8.1833 8.1833 8.1833 8.2414 8.2414 8.2414 8.2414 8.4236 8.4236 8.4236 8.4236 k = 0.5000 0.2887 0.7304 ( 14464 PWs) bands (ev): 1.3171 1.3171 1.3171 1.3171 2.1379 2.1379 2.1379 2.1379 2.8177 2.8177 2.8177 2.8177 3.0130 3.0130 3.0130 3.0130 4.4003 4.4003 4.4003 4.4003 5.4304 5.4304 5.4304 5.4304 5.6631 5.6631 5.6631 5.6631 5.8943 5.8943 5.8943 5.8943 6.0153 6.0153 6.0153 6.0153 6.6136 6.6136 6.6136 6.6136 6.6512 6.6512 6.6512 6.6512 6.7728 6.7728 6.7728 6.7728 7.1241 7.1241 7.1241 7.1241 7.4660 7.4660 7.4660 7.4660 7.5657 7.5657 7.5657 7.5657 7.8595 7.8595 7.8595 7.8595 8.2772 8.2772 8.2772 8.2772 8.4122 8.4122 8.4122 8.4122 8.8269 8.8269 8.8269 8.8269 k = 0.5000 0.2887 0.7043 ( 14458 PWs) bands (ev): 1.2465 1.2465 1.3894 1.3894 2.0672 2.0672 2.2096 2.2096 2.7866 2.7866 2.8385 2.8385 2.9871 2.9871 3.0467 3.0467 4.3792 4.3792 4.4244 4.4244 5.3954 5.3954 5.4605 5.4605 5.6367 5.6367 5.6934 5.6934 5.8621 5.8621 5.9269 5.9269 6.0024 6.0024 6.0297 6.0297 6.6023 6.6023 6.6248 6.6248 6.6312 6.6312 6.6701 6.6701 6.7593 6.7593 6.7863 6.7863 7.0990 7.0990 7.1366 7.1366 7.4596 7.4596 7.4887 7.4887 7.5377 7.5377 7.5930 7.5930 7.8176 7.8176 7.8999 7.8999 8.2663 8.2663 8.2885 8.2885 8.3411 8.3411 8.4780 8.4780 8.7891 8.7891 8.8588 8.8588 k = 0.5000 0.2887 0.6782 ( 14466 PWs) bands (ev): 1.1778 1.1778 1.4634 1.4634 1.9978 1.9978 2.2822 2.2822 2.7507 2.7507 2.8392 2.8392 2.9788 2.9788 3.0824 3.0824 4.3619 4.3619 4.4508 4.4508 5.3584 5.3584 5.4803 5.4803 5.6192 5.6192 5.7255 5.7255 5.8317 5.8317 5.9567 5.9567 5.9916 5.9916 6.0467 6.0467 6.5928 6.5928 6.6067 6.6067 6.6409 6.6409 6.6838 6.6838 6.7466 6.7466 6.7995 6.7995 7.0675 7.0675 7.1347 7.1347 7.4654 7.4654 7.5084 7.5084 7.5287 7.5287 7.6189 7.6189 7.7753 7.7753 7.9370 7.9370 8.2543 8.2543 8.2703 8.2703 8.2997 8.2997 8.5347 8.5347 8.7485 8.7485 8.8796 8.8796 k = 0.5000 0.2887 0.6521 ( 14474 PWs) bands (ev): 1.1111 1.1111 1.5390 1.5390 1.9298 1.9298 2.3553 2.3553 2.7123 2.7123 2.8175 2.8175 2.9906 2.9906 3.1175 3.1175 4.3491 4.3491 4.4789 4.4789 5.3206 5.3206 5.4824 5.4824 5.6175 5.6175 5.7586 5.7586 5.8037 5.8037 5.9699 5.9699 5.9935 5.9935 6.0682 6.0682 6.5807 6.5807 6.5902 6.5902 6.6537 6.6537 6.6890 6.6890 6.7354 6.7354 6.8120 6.8120 7.0379 7.0379 7.1212 7.1212 7.4743 7.4743 7.4855 7.4855 7.5798 7.5798 7.6424 7.6424 7.7338 7.7338 7.9683 7.9683 8.1901 8.1901 8.2555 8.2555 8.3099 8.3099 8.5776 8.5776 8.7070 8.7070 8.8838 8.8838 k = 0.5000 0.2887 0.6260 ( 14474 PWs) bands (ev): 1.0465 1.0465 1.6160 1.6160 1.8634 1.8634 2.4288 2.4288 2.6725 2.6725 2.7833 2.7833 3.0128 3.0128 3.1507 3.1507 4.3414 4.3414 4.5081 4.5081 5.2832 5.2832 5.4665 5.4665 5.6313 5.6313 5.7783 5.7783 5.7924 5.7924 5.9622 5.9622 6.0103 6.0103 6.0952 6.0952 6.5612 6.5612 6.5854 6.5854 6.6616 6.6616 6.6842 6.6842 6.7280 6.7280 6.8235 6.8235 7.0176 7.0176 7.0996 7.0996 7.4512 7.4512 7.4984 7.4984 7.6380 7.6380 7.6596 7.6596 7.6988 7.6988 7.9904 7.9904 8.1159 8.1159 8.2592 8.2592 8.3190 8.3190 8.6008 8.6008 8.6664 8.6664 8.8684 8.8684 k = 0.5000 0.2887 0.5999 ( 14486 PWs) bands (ev): 0.9840 0.9840 1.6942 1.6942 1.7988 1.7988 2.5023 2.5023 2.6320 2.6320 2.7441 2.7441 3.0380 3.0380 3.1810 3.1810 4.3396 4.3396 4.5376 4.5376 5.2468 5.2468 5.4404 5.4404 5.6524 5.6524 5.7564 5.7564 5.8261 5.8261 5.9525 5.9525 6.0233 6.0233 6.1254 6.1254 6.5422 6.5422 6.5850 6.5850 6.6545 6.6545 6.6735 6.6735 6.7295 6.7295 6.8338 6.8338 7.0104 7.0104 7.0728 7.0728 7.4245 7.4245 7.5170 7.5170 7.6396 7.6396 7.6858 7.6858 7.7144 7.7144 8.0004 8.0004 8.0437 8.0437 8.2741 8.2741 8.3267 8.3267 8.5995 8.5995 8.6283 8.6283 8.8367 8.8367 k = 0.5000 0.2887 0.5739 ( 14478 PWs) bands (ev): 0.9237 0.9237 1.7360 1.7360 1.7735 1.7735 2.5755 2.5755 2.5913 2.5913 2.7030 2.7030 3.0631 3.0631 3.2081 3.2081 4.3441 4.3441 4.5670 4.5670 5.2120 5.2120 5.4098 5.4098 5.6748 5.6748 5.7373 5.7373 5.8600 5.8600 5.9439 5.9439 6.0310 6.0310 6.1545 6.1545 6.5253 6.5253 6.5879 6.5879 6.6301 6.6301 6.6626 6.6626 6.7406 6.7406 6.8427 6.8427 7.0152 7.0152 7.0427 7.0427 7.3991 7.3991 7.5346 7.5346 7.6025 7.6025 7.7029 7.7029 7.7788 7.7788 7.9738 7.9738 7.9991 7.9991 8.3001 8.3001 8.3329 8.3329 8.5740 8.5740 8.5936 8.5936 8.7940 8.7940 k = 0.5000 0.2887 0.5478 ( 14470 PWs) bands (ev): 0.8656 0.8656 1.6753 1.6753 1.8537 1.8537 2.5508 2.5508 2.6477 2.6477 2.6619 2.6619 3.0869 3.0869 3.2315 3.2315 4.3553 4.3553 4.5955 4.5955 5.1796 5.1796 5.3770 5.3770 5.6959 5.6959 5.7212 5.7212 5.8935 5.8935 5.9378 5.9378 6.0333 6.0333 6.1781 6.1781 6.5108 6.5108 6.5929 6.5929 6.6031 6.6031 6.6502 6.6502 6.7563 6.7563 6.8498 6.8498 7.0100 7.0100 7.0292 7.0292 7.3754 7.3754 7.5481 7.5481 7.5655 7.5655 7.7150 7.7150 7.8470 7.8470 7.9115 7.9115 7.9862 7.9862 8.3328 8.3328 8.3394 8.3394 8.5348 8.5348 8.5566 8.5566 8.7447 8.7447 k = 0.5000 0.2887 0.5217 ( 14472 PWs) bands (ev): 0.8099 0.8099 1.6166 1.6166 1.9344 1.9344 2.5107 2.5107 2.6200 2.6200 2.7199 2.7199 3.1087 3.1087 3.2514 3.2514 4.3734 4.3734 4.6227 4.6227 5.1499 5.1499 5.3433 5.3433 5.7070 5.7070 5.7155 5.7155 5.9228 5.9228 5.9386 5.9386 6.0283 6.0283 6.1921 6.1921 6.4989 6.4989 6.5790 6.5790 6.6047 6.6047 6.6368 6.6368 6.7732 6.7732 6.8551 6.8551 6.9764 6.9764 7.0482 7.0482 7.3538 7.3538 7.5255 7.5255 7.5604 7.5604 7.7230 7.7230 7.8519 7.8519 7.9200 7.9200 7.9662 7.9662 8.3375 8.3375 8.3768 8.3768 8.4836 8.4836 8.5221 8.5221 8.6920 8.6920 k = 0.5000 0.2887 0.4956 ( 14474 PWs) bands (ev): 0.7565 0.7565 1.5603 1.5603 2.0154 2.0154 2.4714 2.4714 2.5795 2.5795 2.7901 2.7901 3.1282 3.1282 3.2679 3.2679 4.3982 4.3982 4.6480 4.6480 5.1235 5.1235 5.3091 5.3091 5.6968 5.6968 5.7309 5.7309 5.9295 5.9295 5.9652 5.9652 6.0131 6.0131 6.1956 6.1956 6.4894 6.4894 6.5703 6.5703 6.6167 6.6167 6.6230 6.6230 6.7898 6.7898 6.8585 6.8585 6.9420 6.9420 7.0707 7.0707 7.3346 7.3346 7.4903 7.4903 7.5612 7.5612 7.7267 7.7267 7.8071 7.8071 7.9412 7.9412 7.9870 7.9870 8.3346 8.3346 8.4139 8.4139 8.4296 8.4296 8.4941 8.4941 8.6381 8.6381 k = 0.5000 0.2887 0.4695 ( 14474 PWs) bands (ev): 0.7056 0.7056 1.5063 1.5063 2.0962 2.0962 2.4330 2.4330 2.5400 2.5400 2.8584 2.8584 3.1452 3.1452 3.2818 3.2818 4.4293 4.4293 4.6709 4.6709 5.1009 5.1009 5.2748 5.2748 5.6889 5.6889 5.7437 5.7437 5.9327 5.9327 5.9824 5.9824 6.0003 6.0003 6.1920 6.1920 6.4822 6.4822 6.5751 6.5751 6.6091 6.6091 6.6311 6.6311 6.8048 6.8048 6.8594 6.8594 6.9077 6.9077 7.0950 7.0950 7.3180 7.3180 7.4569 7.4569 7.5518 7.5518 7.7258 7.7258 7.7745 7.7745 7.9126 7.9126 8.0506 8.0506 8.3257 8.3257 8.3552 8.3552 8.4620 8.4620 8.4780 8.4780 8.5852 8.5852 k = 0.5000 0.2887 0.4434 ( 14474 PWs) bands (ev): 0.6571 0.6571 1.4547 1.4547 2.1763 2.1763 2.3958 2.3958 2.5017 2.5017 2.9245 2.9245 3.1599 3.1599 3.2938 3.2938 4.4662 4.4662 4.6908 4.6908 5.0824 5.0824 5.2407 5.2407 5.6838 5.6838 5.7535 5.7535 5.9303 5.9303 5.9478 5.9478 6.0335 6.0335 6.1864 6.1864 6.4770 6.4770 6.5888 6.5888 6.5961 6.5961 6.6472 6.6472 6.8174 6.8174 6.8547 6.8547 6.8776 6.8776 7.1202 7.1202 7.3040 7.3040 7.4259 7.4259 7.5328 7.5328 7.7204 7.7204 7.7546 7.7546 7.8816 7.8816 8.1059 8.1059 8.2886 8.2886 8.3090 8.3090 8.4572 8.4572 8.5043 8.5043 8.5437 8.5437 k = 0.5000 0.2887 0.4174 ( 14460 PWs) bands (ev): 0.6112 0.6112 1.4056 1.4056 2.2547 2.2547 2.3605 2.3605 2.4650 2.4650 2.9877 2.9877 3.1721 3.1721 3.3050 3.3050 4.5081 4.5081 4.7074 4.7074 5.0685 5.0685 5.2070 5.2070 5.6819 5.6819 5.7607 5.7607 5.8764 5.8764 5.9538 5.9538 6.0674 6.0674 6.1817 6.1817 6.4735 6.4735 6.5807 6.5807 6.6100 6.6100 6.6641 6.6641 6.8238 6.8238 6.8331 6.8331 6.8667 6.8667 7.1450 7.1450 7.2926 7.2926 7.3977 7.3977 7.5089 7.5089 7.7107 7.7107 7.7433 7.7433 7.8490 7.8490 8.1406 8.1406 8.2309 8.2309 8.2835 8.2835 8.4517 8.4517 8.4780 8.4780 8.5659 8.5659 k = 0.5000 0.2887 0.3913 ( 14466 PWs) bands (ev): 0.5679 0.5679 1.3591 1.3591 2.3159 2.3159 2.3418 2.3418 2.4299 2.4299 3.0478 3.0478 3.1821 3.1821 3.3168 3.3168 4.5542 4.5542 4.7205 4.7205 5.0595 5.0595 5.1741 5.1741 5.6833 5.6833 5.7655 5.7655 5.8073 5.8073 5.9686 5.9686 6.1012 6.1012 6.1778 6.1778 6.4715 6.4715 6.5671 6.5671 6.6309 6.6309 6.6805 6.6805 6.7954 6.7954 6.8337 6.8337 6.8650 6.8650 7.1678 7.1678 7.2836 7.2836 7.3726 7.3726 7.4866 7.4866 7.6969 7.6969 7.7361 7.7361 7.8152 7.8152 8.1186 8.1186 8.2149 8.2149 8.2510 8.2510 8.4166 8.4166 8.4810 8.4810 8.5832 8.5832 k = 0.5000 0.2887 0.3652 ( 14480 PWs) bands (ev): 0.5271 0.5271 1.3153 1.3153 2.2903 2.2903 2.3959 2.3959 2.4094 2.4094 3.1042 3.1042 3.1901 3.1901 3.3305 3.3305 4.6033 4.6033 4.7299 4.7299 5.0554 5.0554 5.1423 5.1423 5.6881 5.6881 5.7312 5.7312 5.7683 5.7683 5.9872 5.9872 6.1343 6.1343 6.1739 6.1739 6.4706 6.4706 6.5534 6.5534 6.6505 6.6505 6.6948 6.6948 6.7620 6.7620 6.8351 6.8351 6.8654 6.8654 7.1858 7.1858 7.2767 7.2767 7.3511 7.3511 7.4718 7.4718 7.6796 7.6796 7.7294 7.7294 7.7808 7.7808 8.0589 8.0589 8.2074 8.2074 8.2284 8.2284 8.3695 8.3695 8.5130 8.5130 8.5905 8.5905 k = 0.5000 0.2887 0.3391 ( 14472 PWs) bands (ev): 0.4890 0.4890 1.2742 1.2742 2.2596 2.2596 2.3649 2.3649 2.4786 2.4786 3.1566 3.1566 3.1961 3.1961 3.3477 3.3477 4.6543 4.6543 4.7357 4.7357 5.0560 5.0560 5.1122 5.1122 5.6502 5.6502 5.6973 5.6973 5.7693 5.7693 6.0091 6.0091 6.1606 6.1606 6.1748 6.1748 6.4705 6.4705 6.5399 6.5399 6.6674 6.6674 6.7023 6.7023 6.7328 6.7328 6.8325 6.8325 6.8680 6.8680 7.1963 7.1963 7.2717 7.2717 7.3332 7.3332 7.4687 7.4687 7.6592 7.6592 7.7214 7.7214 7.7463 7.7463 7.9943 7.9943 8.1687 8.1687 8.2299 8.2299 8.3239 8.3239 8.5561 8.5561 8.6062 8.6062 k = 0.5000 0.2887 0.3130 ( 14492 PWs) bands (ev): 0.4536 0.4536 1.2360 1.2360 2.2305 2.2305 2.3353 2.3353 2.5433 2.5433 3.2004 3.2004 3.2048 3.2048 3.3702 3.3702 4.7053 4.7053 4.7382 4.7382 5.0581 5.0581 5.0873 5.0873 5.5687 5.5687 5.7093 5.7093 5.7689 5.7689 6.0336 6.0336 6.1565 6.1565 6.2026 6.2026 6.4707 6.4707 6.5265 6.5265 6.6777 6.6777 6.6895 6.6895 6.7241 6.7241 6.8254 6.8254 6.8742 6.8742 7.1981 7.1981 7.2681 7.2681 7.3191 7.3191 7.4786 7.4786 7.6364 7.6364 7.7089 7.7089 7.7145 7.7145 7.9307 7.9307 8.1273 8.1273 8.2288 8.2288 8.2812 8.2812 8.5975 8.5975 8.6358 8.6358 k = 0.5000 0.2887 0.2869 ( 14498 PWs) bands (ev): 0.4209 0.4209 1.2005 1.2005 2.2032 2.2032 2.3079 2.3079 2.6017 2.6017 3.2034 3.2034 3.2482 3.2482 3.3994 3.3994 4.7377 4.7377 4.7539 4.7539 5.0451 5.0451 5.0842 5.0842 5.4888 5.4888 5.7247 5.7247 5.7675 5.7675 6.0601 6.0601 6.1445 6.1445 6.2337 6.2337 6.4708 6.4708 6.5133 6.5133 6.6533 6.6533 6.6953 6.6953 6.7253 6.7253 6.8136 6.8136 6.8850 6.8850 7.1928 7.1928 7.2655 7.2655 7.3085 7.3085 7.4989 7.4989 7.6119 7.6119 7.6772 7.6772 7.7012 7.7012 7.8696 7.8696 8.0862 8.0862 8.2259 8.2259 8.2420 8.2420 8.6276 8.6276 8.6522 8.6522 k = 0.5000 0.2887 0.2608 ( 14500 PWs) bands (ev): 0.3909 0.3909 1.1680 1.1680 2.1780 2.1780 2.2826 2.2826 2.6525 2.6525 3.2052 3.2052 3.2870 3.2870 3.4368 3.4368 4.7347 4.7347 4.7961 4.7961 5.0211 5.0211 5.0987 5.0987 5.4148 5.4148 5.7430 5.7430 5.7653 5.7653 6.0880 6.0880 6.1278 6.1278 6.2637 6.2637 6.4704 6.4704 6.5007 6.5007 6.6227 6.6227 6.7043 6.7043 6.7244 6.7244 6.7973 6.7973 6.9003 6.9003 7.1834 7.1834 7.2634 7.2634 7.3012 7.3012 7.5236 7.5236 7.5864 7.5864 7.6445 7.6445 7.6908 7.6908 7.8115 7.8115 8.0467 8.0467 8.2055 8.2055 8.2237 8.2237 8.6375 8.6375 8.6599 8.6599 k = 0.5000 0.2887 0.2348 ( 14506 PWs) bands (ev): 0.3637 0.3637 1.1385 1.1385 2.1549 2.1549 2.2594 2.2594 2.6952 2.6952 3.2061 3.2061 3.3211 3.3211 3.4831 3.4831 4.7299 4.7299 4.8254 4.8254 4.9970 4.9970 5.1196 5.1196 5.3533 5.3533 5.7618 5.7618 5.7645 5.7645 6.1060 6.1060 6.1170 6.1170 6.2917 6.2917 6.4688 6.4688 6.4889 6.4889 6.5933 6.5933 6.7110 6.7110 6.7222 6.7222 6.7775 6.7775 6.9189 6.9189 7.1728 7.1728 7.2612 7.2612 7.2965 7.2965 7.5443 7.5443 7.5605 7.5605 7.6131 7.6131 7.6864 7.6864 7.7571 7.7571 8.0095 8.0095 8.1736 8.1736 8.2212 8.2212 8.6272 8.6272 8.6877 8.6877 k = 0.5000 0.2887 0.2087 ( 14496 PWs) bands (ev): 0.3394 0.3394 1.1119 1.1119 2.1341 2.1341 2.2386 2.2386 2.7298 2.7298 3.2062 3.2062 3.3506 3.3506 3.5384 3.5384 4.7238 4.7238 4.8326 4.8326 4.9744 4.9744 5.1445 5.1445 5.3136 5.3136 5.7595 5.7595 5.7859 5.7859 6.0794 6.0794 6.1459 6.1459 6.3164 6.3164 6.4651 6.4651 6.4789 6.4789 6.5664 6.5664 6.7113 6.7113 6.7232 6.7232 6.7558 6.7558 6.9399 6.9399 7.1629 7.1629 7.2583 7.2583 7.2940 7.2940 7.5348 7.5348 7.5521 7.5521 7.5837 7.5837 7.6947 7.6947 7.7071 7.7071 7.9749 7.9749 8.1452 8.1452 8.2199 8.2199 8.6162 8.6162 8.7181 8.7181 k = 0.5000 0.2887 0.1826 ( 14468 PWs) bands (ev): 0.3178 0.3178 1.0884 1.0884 2.1155 2.1155 2.2201 2.2201 2.7568 2.7568 3.2058 3.2058 3.3757 3.3757 3.6022 3.6022 4.7170 4.7170 4.8104 4.8104 4.9539 4.9539 5.1721 5.1721 5.3032 5.3032 5.7565 5.7565 5.8089 5.8089 6.0477 6.0477 6.1746 6.1746 6.3359 6.3359 6.4585 6.4585 6.4720 6.4720 6.5434 6.5434 6.7057 6.7057 6.7237 6.7237 6.7377 6.7377 6.9624 6.9624 7.1549 7.1549 7.2539 7.2539 7.2932 7.2932 7.5101 7.5101 7.5442 7.5442 7.5567 7.5567 7.6608 7.6608 7.7177 7.7177 7.9435 7.9435 8.1202 8.1202 8.2197 8.2197 8.6060 8.6060 8.7494 8.7494 k = 0.5000 0.2887 0.1565 ( 14460 PWs) bands (ev): 0.2990 0.2990 1.0680 1.0680 2.0993 2.0993 2.2039 2.2039 2.7772 2.7772 3.2050 3.2050 3.3967 3.3967 3.6733 3.6733 4.7100 4.7100 4.7601 4.7601 4.9357 4.9357 5.2010 5.2010 5.3203 5.3203 5.7535 5.7535 5.8321 5.8321 6.0114 6.0114 6.2022 6.2022 6.3478 6.3478 6.4480 6.4480 6.4705 6.4705 6.5258 6.5258 6.6959 6.6959 6.7087 6.7087 6.7382 6.7382 6.9858 6.9858 7.1492 7.1492 7.2476 7.2476 7.2936 7.2936 7.4869 7.4869 7.5265 7.5265 7.5329 7.5329 7.6200 7.6200 7.7480 7.7480 7.9155 7.9155 8.0982 8.0982 8.2204 8.2204 8.5971 8.5971 8.7809 8.7809 k = 0.5000 0.2887 0.1304 ( 14458 PWs) bands (ev): 0.2832 0.2832 1.0506 1.0506 2.0856 2.0856 2.1902 2.1902 2.7922 2.7922 3.2041 3.2041 3.4137 3.4137 3.7504 3.7504 4.6903 4.6903 4.7034 4.7034 4.9199 4.9199 5.2297 5.2297 5.3563 5.3563 5.7507 5.7507 5.8543 5.8543 5.9711 5.9711 6.2282 6.2282 6.3507 6.3507 6.4333 6.4333 6.4764 6.4764 6.5135 6.5135 6.6769 6.6769 6.6988 6.6988 6.7431 6.7431 7.0095 7.0095 7.1462 7.1462 7.2388 7.2388 7.2948 7.2948 7.4658 7.4658 7.5047 7.5047 7.5128 7.5128 7.5844 7.5844 7.7800 7.7800 7.8912 7.8912 8.0791 8.0791 8.2217 8.2217 8.5897 8.5897 8.8114 8.8114 k = 0.5000 0.2887 0.1043 ( 14454 PWs) bands (ev): 0.2701 0.2701 1.0364 1.0364 2.0742 2.0742 2.1789 2.1789 2.8030 2.8030 3.2032 3.2032 3.4271 3.4271 3.8318 3.8318 4.6098 4.6098 4.6973 4.6973 4.9069 4.9069 5.2566 5.2566 5.4023 5.4023 5.7483 5.7483 5.8747 5.8747 5.9280 5.9280 6.2519 6.2519 6.3464 6.3464 6.4164 6.4164 6.4882 6.4882 6.5055 6.5055 6.6554 6.6554 6.6930 6.6930 6.7477 6.7477 7.0331 7.0331 7.1455 7.1455 7.2275 7.2275 7.2965 7.2965 7.4474 7.4474 7.4824 7.4824 7.4965 7.4965 7.5545 7.5545 7.8104 7.8104 7.8710 7.8710 8.0625 8.0625 8.2235 8.2235 8.5837 8.5837 8.8395 8.8395 k = 0.5000 0.2887 0.0783 ( 14462 PWs) bands (ev): 0.2600 0.2600 1.0253 1.0253 2.0654 2.0654 2.1701 2.1701 2.8104 2.8104 3.2023 3.2023 3.4373 3.4373 3.9156 3.9156 4.5244 4.5244 4.6923 4.6923 4.8966 4.8966 5.2800 5.2800 5.4516 5.4516 5.7463 5.7463 5.8838 5.8838 5.8923 5.8923 6.2725 6.2725 6.3385 6.3385 6.3999 6.3999 6.4981 6.4981 6.5048 6.5048 6.6351 6.6351 6.6887 6.6887 6.7516 6.7516 7.0560 7.0560 7.1466 7.1466 7.2139 7.2139 7.2983 7.2983 7.4322 7.4322 7.4621 7.4621 7.4843 7.4843 7.5307 7.5307 7.8368 7.8368 7.8552 7.8552 8.0485 8.0485 8.2253 8.2253 8.5791 8.5791 8.8637 8.8637 k = 0.5000 0.2887 0.0522 ( 14452 PWs) bands (ev): 0.2528 0.2528 1.0174 1.0174 2.0590 2.0590 2.1638 2.1638 2.8152 2.8152 3.2017 3.2017 3.4443 3.4443 3.9983 3.9983 4.4396 4.4396 4.6885 4.6885 4.8892 4.8892 5.2983 5.2983 5.4986 5.4986 5.7448 5.7448 5.8418 5.8418 5.9059 5.9059 6.2895 6.2895 6.3303 6.3303 6.3856 6.3856 6.4951 6.4951 6.5188 6.5188 6.6173 6.6173 6.6856 6.6856 6.7545 6.7545 7.0771 7.0771 7.1485 7.1485 7.1994 7.1994 7.3000 7.3000 7.4207 7.4207 7.4457 7.4457 7.4760 7.4760 7.5134 7.5134 7.8431 7.8431 7.8584 7.8584 8.0373 8.0373 8.2269 8.2269 8.5759 8.5759 8.8825 8.8825 k = 0.5000 0.2887 0.0261 ( 14456 PWs) bands (ev): 0.2484 0.2484 1.0126 1.0126 2.0552 2.0552 2.1600 2.1600 2.8178 2.8178 3.2012 3.2012 3.4484 3.4484 4.0713 4.0713 4.3650 4.3650 4.6862 4.6862 4.8848 4.8848 5.3099 5.3099 5.5354 5.5354 5.7439 5.7439 5.8083 5.8083 5.9145 5.9145 6.3017 6.3017 6.3237 6.3237 6.3755 6.3755 6.4927 6.4927 6.5311 6.5311 6.6036 6.6036 6.6837 6.6837 6.7563 6.7563 7.0938 7.0938 7.1502 7.1502 7.1866 7.1866 7.3012 7.3012 7.4135 7.4135 7.4351 7.4351 7.4711 7.4711 7.5028 7.5028 7.8362 7.8362 7.8720 7.8720 8.0298 8.0298 8.2279 8.2279 8.5740 8.5740 8.8945 8.8945 k = 0.5000 0.2887-0.0000 ( 14478 PWs) bands (ev): 0.2470 0.2470 1.0110 1.0110 2.0540 2.0540 2.1587 2.1587 2.8187 2.8187 3.2011 3.2011 3.4498 3.4498 4.1066 4.1066 4.3292 4.3292 4.6854 4.6854 4.8833 4.8833 5.3139 5.3139 5.5502 5.5502 5.7436 5.7436 5.7947 5.7947 5.9175 5.9175 6.3068 6.3068 6.3207 6.3207 6.3717 6.3717 6.4918 6.4918 6.5363 6.5363 6.5980 6.5980 6.6831 6.6831 6.7569 6.7569 7.1007 7.1007 7.1508 7.1508 7.1810 7.1810 7.3016 7.3016 7.4111 7.4111 7.4314 7.4314 7.4696 7.4696 7.4993 7.4993 7.8339 7.8339 7.8768 7.8768 8.0271 8.0271 8.2283 8.2283 8.5734 8.5734 8.8986 8.8986 k = 0.3333 0.5774-0.0000 ( 14508 PWs) bands (ev): 0.3239 0.3239 1.2479 1.2479 1.2548 1.2548 2.5785 2.5785 3.1494 3.1494 3.2107 3.2107 3.2198 3.2198 4.1052 4.1052 4.3953 4.3953 4.6128 4.6128 4.6336 4.6336 5.4127 5.4127 5.4160 5.4160 6.0091 6.0091 6.0128 6.0128 6.1469 6.1469 6.1792 6.1792 6.3002 6.3002 6.3136 6.3136 6.3354 6.3354 6.5146 6.5146 6.5226 6.5226 6.6685 6.6685 6.6970 6.6970 7.1351 7.1351 7.1582 7.1582 7.2485 7.2485 7.3325 7.3325 7.3471 7.3471 7.4206 7.4206 7.5261 7.5261 7.5274 7.5274 7.7055 7.7055 8.0060 8.0060 8.0554 8.0554 8.5717 8.5717 8.6177 8.6177 8.8179 8.8179 k = 0.3333 0.5774 0.0261 ( 14508 PWs) bands (ev): 0.3253 0.3253 1.2494 1.2494 1.2563 1.2563 2.5790 2.5790 3.1482 3.1482 3.2106 3.2106 3.2197 3.2197 4.0755 4.0755 4.4272 4.4272 4.6125 4.6125 4.6334 4.6334 5.4071 5.4071 5.4102 5.4102 6.0139 6.0139 6.0179 6.0179 6.1414 6.1414 6.1801 6.1801 6.3011 6.3011 6.3158 6.3158 6.3392 6.3392 6.5069 6.5069 6.5154 6.5154 6.6734 6.6734 6.7016 6.7016 7.1357 7.1357 7.1586 7.1586 7.2478 7.2478 7.3334 7.3334 7.3480 7.3480 7.4201 7.4201 7.5307 7.5307 7.5319 7.5319 7.7069 7.7069 7.9966 7.9966 8.0620 8.0620 8.5676 8.5676 8.6115 8.6115 8.8245 8.8246 k = 0.3333 0.5774 0.0522 ( 14496 PWs) bands (ev): 0.3295 0.3295 1.2540 1.2540 1.2609 1.2609 2.5804 2.5804 3.1445 3.1445 3.2104 3.2104 3.2195 3.2195 4.0090 4.0090 4.5002 4.5002 4.6118 4.6118 4.6328 4.6328 5.3910 5.3910 5.3937 5.3937 6.0273 6.0273 6.0324 6.0324 6.1264 6.1264 6.1827 6.1827 6.3040 6.3040 6.3205 6.3205 6.3508 6.3508 6.4865 6.4865 6.4960 6.4960 6.6856 6.6856 6.7133 6.7133 7.1373 7.1373 7.1594 7.1594 7.2458 7.2458 7.3364 7.3364 7.3510 7.3510 7.4187 7.4187 7.5438 7.5438 7.5450 7.5450 7.7111 7.7111 7.9756 7.9756 8.0750 8.0750 8.5561 8.5561 8.5949 8.5949 8.8420 8.8420 k = 0.3333 0.5774 0.0783 ( 14502 PWs) bands (ev): 0.3366 0.3366 1.2617 1.2617 1.2686 1.2686 2.5826 2.5826 3.1380 3.1380 3.2099 3.2099 3.2190 3.2190 3.9307 3.9307 4.5895 4.5895 4.6103 4.6103 4.6314 4.6314 5.3669 5.3669 5.3691 5.3691 6.0467 6.0467 6.0535 6.0535 6.1053 6.1053 6.1871 6.1871 6.3088 6.3088 6.3258 6.3258 6.3686 6.3686 6.4582 6.4582 6.4691 6.4691 6.7009 6.7009 6.7282 6.7282 7.1397 7.1397 7.1604 7.1604 7.2425 7.2425 7.3428 7.3428 7.3573 7.3573 7.4165 7.4165 7.5644 7.5644 7.5656 7.5656 7.7181 7.7181 7.9490 7.9490 8.0885 8.0885 8.5390 8.5390 8.5717 8.5717 8.8668 8.8668 k = 0.3333 0.5774 0.1043 ( 14508 PWs) bands (ev): 0.3465 0.3465 1.2724 1.2724 1.2793 1.2793 2.5854 2.5854 3.1282 3.1282 3.2090 3.2090 3.2180 3.2180 3.8509 3.8509 4.6077 4.6077 4.6290 4.6290 4.6858 4.6858 5.3380 5.3380 5.3397 5.3397 6.0688 6.0688 6.0770 6.0770 6.0817 6.0817 6.1931 6.1931 6.3152 6.3152 6.3311 6.3311 6.3891 6.3891 6.4263 6.4263 6.4399 6.4399 6.7163 6.7163 6.7434 6.7434 7.1422 7.1422 7.1613 7.1613 7.2379 7.2379 7.3535 7.3535 7.3680 7.3680 7.4135 7.4135 7.5911 7.5911 7.5925 7.5925 7.7276 7.7276 7.9186 7.9186 8.1010 8.1010 8.5183 8.5183 8.5450 8.5450 8.8957 8.8957 k = 0.3333 0.5774 0.1304 ( 14523 PWs) bands (ev): 0.3592 0.3592 1.2861 1.2861 1.2930 1.2930 2.5886 2.5886 3.1144 3.1144 3.2075 3.2075 3.2163 3.2163 3.7740 3.7740 4.6035 4.6035 4.6250 4.6250 4.7853 4.7853 5.3073 5.3073 5.3085 5.3085 6.0544 6.0544 6.0905 6.0905 6.1025 6.1025 6.2008 6.2008 6.3206 6.3206 6.3325 6.3325 6.3958 6.3958 6.4030 6.4030 6.4222 6.4222 6.7307 6.7307 6.7577 6.7577 7.1444 7.1444 7.1617 7.1617 7.2321 7.2321 7.3694 7.3694 7.3837 7.3837 7.4101 7.4101 7.6229 7.6229 7.6246 7.6246 7.7393 7.7393 7.8855 7.8855 8.1121 8.1121 8.4956 8.4956 8.5167 8.5167 8.9270 8.9270 k = 0.3333 0.5774 0.1565 ( 14523 PWs) bands (ev): 0.3747 0.3747 1.3029 1.3029 1.3098 1.3098 2.5914 2.5914 3.0958 3.0958 3.2049 3.2049 3.2136 3.2136 3.7026 3.7026 4.5973 4.5973 4.6189 4.6189 4.8863 4.8863 5.2773 5.2773 5.2782 5.2782 6.0277 6.0277 6.1092 6.1092 6.1243 6.1243 6.2101 6.2101 6.3136 6.3136 6.3195 6.3195 6.3796 6.3796 6.3991 6.3991 6.4386 6.4386 6.7440 6.7440 6.7707 6.7707 7.1460 7.1460 7.1612 7.1612 7.2250 7.2250 7.3908 7.3908 7.4024 7.4024 7.4088 7.4088 7.6587 7.6587 7.6609 7.6609 7.7529 7.7529 7.8505 7.8505 8.1215 8.1215 8.4720 8.4720 8.4878 8.4878 8.9595 8.9597 k = 0.3333 0.5774 0.1826 ( 14529 PWs) bands (ev): 0.3931 0.3931 1.3226 1.3226 1.3295 1.3295 2.5933 2.5933 3.0720 3.0720 3.2009 3.2009 3.2095 3.2095 3.6387 3.6387 4.5887 4.5887 4.6102 4.6102 4.9879 4.9879 5.2502 5.2502 5.2510 5.2510 6.0012 6.0012 6.1234 6.1234 6.1415 6.1415 6.2210 6.2210 6.2862 6.2862 6.2901 6.2901 6.3865 6.3865 6.4088 6.4088 6.4594 6.4594 6.7566 6.7566 6.7828 6.7828 7.1466 7.1466 7.1596 7.1596 7.2166 7.2166 7.4019 7.4019 7.4173 7.4173 7.4319 7.4319 7.6977 7.6977 7.7006 7.7006 7.7672 7.7672 7.8156 7.8156 8.1291 8.1291 8.4483 8.4483 8.4592 8.4592 8.9931 8.9934 k = 0.3333 0.5774 0.2087 ( 14520 PWs) bands (ev): 0.4141 0.4141 1.3453 1.3453 1.3522 1.3522 2.5930 2.5930 3.0430 3.0430 3.1951 3.1951 3.2035 3.2035 3.5838 3.5838 4.5775 4.5775 4.5989 4.5989 5.0893 5.0893 5.2275 5.2275 5.2284 5.2284 5.9757 5.9757 6.1317 6.1317 6.1526 6.1526 6.2328 6.2328 6.2510 6.2510 6.2555 6.2555 6.4042 6.4042 6.4273 6.4273 6.4787 6.4787 6.7694 6.7694 6.7947 6.7947 7.1458 7.1458 7.1567 7.1567 7.2065 7.2065 7.3990 7.3990 7.4485 7.4485 7.4626 7.4626 7.7389 7.7389 7.7429 7.7429 7.7687 7.7687 7.7947 7.7947 8.1344 8.1344 8.4251 8.4251 8.4313 8.4313 9.0255 9.0256 k = 0.3333 0.5774 0.2348 ( 14508 PWs) bands (ev): 0.4380 0.4380 1.3708 1.3708 1.3777 1.3777 2.5886 2.5886 3.0103 3.0103 3.1869 3.1869 3.1952 3.1952 3.5384 3.5384 4.5640 4.5640 4.5851 4.5851 5.1895 5.1895 5.2099 5.2099 5.2113 5.2113 5.9519 5.9519 6.1322 6.1322 6.1541 6.1541 6.2171 6.2171 6.2215 6.2215 6.2485 6.2485 6.4248 6.4248 6.4492 6.4492 6.4953 6.4953 6.7834 6.7834 6.8075 6.8075 7.1434 7.1434 7.1519 7.1519 7.1948 7.1948 7.3971 7.3971 7.4838 7.4838 7.4975 7.4975 7.7382 7.7382 7.7810 7.7810 7.7870 7.7870 7.8088 7.8088 8.1371 8.1371 8.4028 8.4028 8.4046 8.4046 9.0566 9.0570 k = 0.3333 0.5774 0.2608 ( 14502 PWs) bands (ev): 0.4645 0.4645 1.3993 1.3993 1.4062 1.4062 2.5778 2.5778 2.9769 2.9769 3.1758 3.1758 3.1839 3.1839 3.5019 3.5019 4.5488 4.5488 4.5695 4.5695 5.1976 5.1976 5.1993 5.1993 5.2882 5.2882 5.9308 5.9308 6.1203 6.1203 6.1382 6.1382 6.1920 6.1920 6.2033 6.2033 6.2634 6.2634 6.4450 6.4450 6.4711 6.4711 6.5082 6.5082 6.7997 6.7997 6.8223 6.8223 7.1388 7.1388 7.1449 7.1449 7.1811 7.1811 7.3967 7.3967 7.5226 7.5226 7.5358 7.5358 7.7058 7.7058 7.8160 7.8160 7.8321 7.8321 7.8353 7.8353 8.1368 8.1368 8.3797 8.3797 8.3820 8.3820 9.0848 9.0849 k = 0.3333 0.5774 0.2869 ( 14487 PWs) bands (ev): 0.4938 0.4938 1.4306 1.4306 1.4375 1.4375 2.5574 2.5574 2.9470 2.9470 3.1612 3.1612 3.1690 3.1690 3.4733 3.4733 4.5329 4.5329 4.5531 4.5531 5.1900 5.1900 5.1926 5.1926 5.3837 5.3837 5.9135 5.9135 6.0940 6.0940 6.1068 6.1068 6.1797 6.1797 6.1983 6.1983 6.2799 6.2799 6.4631 6.4631 6.4912 6.4912 6.5165 6.5165 6.8194 6.8194 6.8404 6.8404 7.1315 7.1315 7.1352 7.1352 7.1655 7.1655 7.3982 7.3982 7.5643 7.5643 7.5770 7.5770 7.6763 7.6763 7.8373 7.8373 7.8759 7.8759 7.8770 7.8770 8.1334 8.1334 8.3570 8.3570 8.3630 8.3630 9.0996 9.0997 k = 0.3333 0.5774 0.3130 ( 14502 PWs) bands (ev): 0.5258 0.5258 1.4646 1.4646 1.4715 1.4715 2.5250 2.5250 2.9246 2.9246 3.1426 3.1426 3.1502 3.1502 3.4508 3.4508 4.5176 4.5176 4.5372 4.5372 5.1863 5.1863 5.1897 5.1897 5.4741 5.4741 5.9021 5.9021 6.0604 6.0604 6.0707 6.0707 6.1742 6.1742 6.1974 6.1974 6.2978 6.2978 6.4779 6.4779 6.5080 6.5080 6.5194 6.5194 6.8431 6.8431 6.8624 6.8624 7.1211 7.1211 7.1224 7.1224 7.1480 7.1480 7.4020 7.4020 7.6084 7.6084 7.6200 7.6200 7.6515 7.6515 7.8547 7.8547 7.9183 7.9183 7.9203 7.9203 8.1267 8.1267 8.3375 8.3375 8.3466 8.3466 9.0966 9.0966 k = 0.3333 0.5774 0.3391 ( 14496 PWs) bands (ev): 0.5604 0.5604 1.5014 1.5014 1.5083 1.5083 2.4799 2.4799 2.9119 2.9119 3.1195 3.1195 3.1269 3.1269 3.4329 3.4329 4.5042 4.5042 4.5231 4.5231 5.1849 5.1849 5.1893 5.1893 5.5559 5.5559 5.9000 5.9000 6.0259 6.0259 6.0352 6.0352 6.1709 6.1709 6.1971 6.1971 6.3169 6.3169 6.4892 6.4892 6.5165 6.5165 6.5209 6.5209 6.8709 6.8709 6.8889 6.8889 7.1061 7.1061 7.1073 7.1073 7.1284 7.1284 7.4082 7.4082 7.6292 7.6292 7.6544 7.6544 7.6673 7.6673 7.8703 7.8703 7.9578 7.9578 7.9597 7.9597 8.1172 8.1172 8.3223 8.3223 8.3338 8.3338 9.0900 9.0900 k = 0.3333 0.5774 0.3652 ( 14514 PWs) bands (ev): 0.5977 0.5977 1.5408 1.5408 1.5477 1.5477 2.4236 2.4236 2.9086 2.9086 3.0915 3.0915 3.0988 3.0988 3.4181 3.4181 4.4937 4.4937 4.5120 4.5120 5.1845 5.1845 5.1897 5.1897 5.6236 5.6236 5.9128 5.9128 5.9934 5.9934 6.0024 6.0024 6.1679 6.1679 6.1965 6.1965 6.3372 6.3372 6.4971 6.4971 6.5075 6.5075 6.5300 6.5300 6.9027 6.9027 6.9196 6.9196 7.0864 7.0864 7.0898 7.0898 7.1070 7.1070 7.4169 7.4169 7.6137 7.6137 7.7020 7.7020 7.7140 7.7140 7.8838 7.8838 7.9913 7.9913 7.9922 7.9922 8.1058 8.1058 8.3138 8.3138 8.3262 8.3262 9.0849 9.0849 k = 0.3333 0.5774 0.3913 ( 14505 PWs) bands (ev): 0.6375 0.6375 1.5828 1.5828 1.5897 1.5897 2.3586 2.3586 2.9132 2.9132 3.0586 3.0586 3.0658 3.0658 3.4053 3.4053 4.4873 4.4873 4.5049 4.5049 5.1832 5.1832 5.1892 5.1892 5.6709 5.6709 5.9462 5.9462 5.9646 5.9646 5.9738 5.9738 6.1647 6.1647 6.1954 6.1954 6.3584 6.3584 6.4928 6.4928 6.5024 6.5024 6.5358 6.5358 6.9380 6.9380 6.9543 6.9543 7.0635 7.0635 7.0688 7.0688 7.0838 7.0838 7.4280 7.4280 7.6016 7.6016 7.7506 7.7506 7.7622 7.7622 7.8947 7.8947 8.0138 8.0138 8.0153 8.0153 8.0944 8.0944 8.3145 8.3145 8.3263 8.3263 9.0817 9.0817 k = 0.3333 0.5774 0.4174 ( 14508 PWs) bands (ev): 0.6799 0.6799 1.6273 1.6273 1.6342 1.6342 2.2877 2.2877 2.9236 2.9236 3.0206 3.0206 3.0278 3.0278 3.3936 3.3936 4.4856 4.4856 4.5026 4.5026 5.1795 5.1795 5.1862 5.1862 5.6981 5.6981 5.9409 5.9409 5.9506 5.9506 5.9992 5.9992 6.1612 6.1612 6.1938 6.1938 6.3804 6.3804 6.4738 6.4738 6.5057 6.5057 6.5390 6.5390 6.9760 6.9760 6.9918 6.9918 7.0377 7.0377 7.0444 7.0444 7.0591 7.0591 7.4416 7.4416 7.5910 7.5910 7.7998 7.7998 7.8112 7.8112 7.9025 7.9025 8.0220 8.0220 8.0267 8.0267 8.0852 8.0852 8.3260 8.3260 8.3355 8.3355 9.0802 9.0802 k = 0.3333 0.5774 0.4434 ( 14511 PWs) bands (ev): 0.7249 0.7249 1.6742 1.6742 1.6811 1.6811 2.2128 2.2128 2.9381 2.9381 2.9777 2.9777 2.9852 2.9852 3.3822 3.3822 4.4889 4.4889 4.5053 4.5053 5.1719 5.1719 5.1793 5.1793 5.7125 5.7125 5.9233 5.9233 5.9339 5.9339 6.0627 6.0627 6.1572 6.1572 6.1920 6.1920 6.4029 6.4029 6.4532 6.4532 6.5080 6.5080 6.5405 6.5405 7.0084 7.0084 7.0087 7.0087 7.0232 7.0232 7.0246 7.0246 7.0424 7.0424 7.4574 7.4574 7.5792 7.5792 7.8487 7.8487 7.8601 7.8601 7.9071 7.9071 8.0172 8.0172 8.0250 8.0250 8.0813 8.0813 8.3472 8.3472 8.3536 8.3536 9.0790 9.0790 k = 0.3333 0.5774 0.4695 ( 14493 PWs) bands (ev): 0.7723 0.7723 1.7235 1.7235 1.7303 1.7303 2.1356 2.1356 2.9303 2.9303 2.9354 2.9354 2.9586 2.9586 3.3707 3.3707 4.4975 4.4975 4.5134 4.5134 5.1594 5.1594 5.1672 5.1672 5.7212 5.7212 5.9125 5.9125 5.9243 5.9243 6.1246 6.1246 6.1527 6.1527 6.1904 6.1904 6.4216 6.4216 6.4403 6.4403 6.5098 6.5098 6.5412 6.5412 6.9774 6.9774 6.9834 6.9834 7.0015 7.0015 7.0620 7.0620 7.0792 7.0792 7.4754 7.4754 7.5629 7.5629 7.8947 7.8947 7.9039 7.9039 7.9116 7.9116 8.0039 8.0039 8.0134 8.0134 8.0854 8.0854 8.3740 8.3740 8.3776 8.3776 9.0763 9.0763 k = 0.3333 0.5774 0.4956 ( 14469 PWs) bands (ev): 0.8222 0.8222 1.7750 1.7750 1.7818 1.7818 2.0570 2.0570 2.8789 2.8789 2.8851 2.8851 2.9778 2.9778 3.3586 3.3586 4.5112 4.5112 4.5265 4.5265 5.1412 5.1412 5.1495 5.1495 5.7288 5.7288 5.9086 5.9086 5.9218 5.9218 6.1475 6.1475 6.1661 6.1661 6.1940 6.1940 6.4257 6.4257 6.4565 6.4565 6.5120 6.5120 6.5417 6.5417 6.9439 6.9439 6.9501 6.9501 6.9732 6.9732 7.1066 7.1066 7.1239 7.1239 7.4952 7.4952 7.5396 7.5396 7.9039 7.9039 7.9257 7.9257 7.9452 7.9452 7.9970 7.9970 8.0031 8.0031 8.1003 8.1003 8.4021 8.4021 8.4035 8.4035 9.0698 9.0698 k = 0.3333 0.5774 0.5217 ( 14472 PWs) bands (ev): 0.8744 0.8744 1.8286 1.8286 1.8354 1.8354 1.9779 1.9779 2.8238 2.8238 2.8302 2.8302 2.9999 2.9999 3.3456 3.3456 4.5299 4.5299 4.5447 4.5447 5.1175 5.1175 5.1261 5.1261 5.7375 5.7375 5.9112 5.9112 5.9263 5.9263 6.1416 6.1416 6.1718 6.1718 6.2026 6.2026 6.4492 6.4492 6.4819 6.4819 6.5152 6.5152 6.5428 6.5428 6.9084 6.9084 6.9146 6.9146 6.9439 6.9439 7.1529 7.1529 7.1706 7.1706 7.5051 7.5051 7.5195 7.5195 7.8967 7.8967 7.9160 7.9160 7.9395 7.9395 8.0243 8.0243 8.0282 8.0282 8.1272 8.1272 8.4275 8.4275 8.4277 8.4277 9.0570 9.0570 k = 0.3333 0.5774 0.5478 ( 14454 PWs) bands (ev): 0.9290 0.9290 1.8842 1.8842 1.8906 1.8906 1.8992 1.8992 2.7656 2.7656 2.7721 2.7721 3.0234 3.0234 3.3314 3.3314 4.5531 4.5531 4.5674 4.5674 5.0885 5.0885 5.0974 5.0974 5.7485 5.7485 5.9197 5.9197 5.9367 5.9367 6.1347 6.1347 6.1652 6.1652 6.1919 6.1919 6.4949 6.4949 6.5141 6.5141 6.5199 6.5199 6.5451 6.5451 6.8718 6.8718 6.8776 6.8776 6.9142 6.9142 7.2005 7.2005 7.2188 7.2188 7.4659 7.4659 7.5416 7.5416 7.8836 7.8836 7.8847 7.8847 7.9087 7.9087 8.0690 8.0690 8.0733 8.0733 8.1657 8.1657 8.4467 8.4467 8.4481 8.4481 9.0352 9.0352 k = 0.3333 0.5774 0.5739 ( 14460 PWs) bands (ev): 0.9859 0.9859 1.8202 1.8202 1.9417 1.9417 1.9485 1.9485 2.7050 2.7050 2.7115 2.7115 3.0477 3.0477 3.3160 3.3160 4.5805 4.5805 4.5943 4.5943 5.0550 5.0550 5.0641 5.0641 5.7625 5.7625 5.9329 5.9329 5.9521 5.9521 6.1268 6.1268 6.1479 6.1479 6.1730 6.1730 6.5267 6.5267 6.5293 6.5293 6.5493 6.5493 6.5741 6.5741 6.8346 6.8346 6.8398 6.8398 6.8841 6.8841 7.2492 7.2492 7.2680 7.2680 7.4177 7.4177 7.5665 7.5665 7.8436 7.8436 7.8619 7.8619 7.8775 7.8775 8.1169 8.1169 8.1211 8.1211 8.2145 8.2145 8.4591 8.4591 8.4611 8.4611 9.0028 9.0028 k = 0.3333 0.5774 0.5999 ( 14430 PWs) bands (ev): 1.0450 1.0450 1.7423 1.7423 2.0009 2.0009 2.0077 2.0077 2.6425 2.6425 2.6490 2.6490 3.0726 3.0726 3.2993 3.2993 4.6116 4.6116 4.6249 4.6249 5.0178 5.0178 5.0272 5.0272 5.7799 5.7799 5.9495 5.9495 5.9711 5.9711 6.1155 6.1155 6.1176 6.1176 6.1597 6.1597 6.5361 6.5361 6.5536 6.5536 6.5599 6.5599 6.6472 6.6472 6.7976 6.7976 6.8019 6.8019 6.8539 6.8539 7.2987 7.2987 7.3181 7.3181 7.3630 7.3630 7.5928 7.5928 7.7997 7.7997 7.8215 7.8215 7.8566 7.8566 8.1647 8.1647 8.1685 8.1685 8.2718 8.2718 8.4636 8.4636 8.4659 8.4659 8.9595 8.9595 k = 0.3333 0.5774 0.6260 ( 14418 PWs) bands (ev): 1.1063 1.1063 1.6654 1.6654 2.0617 2.0617 2.0684 2.0684 2.5785 2.5785 2.5850 2.5850 3.0978 3.0978 3.2811 3.2811 4.6460 4.6460 4.6588 4.6588 4.9779 4.9779 4.9876 4.9876 5.8009 5.8009 5.9685 5.9685 5.9922 5.9922 6.0770 6.0770 6.1069 6.1069 6.1477 6.1477 6.5484 6.5484 6.5642 6.5642 6.5867 6.5867 6.7232 6.7232 6.7618 6.7618 6.7644 6.7644 6.8236 6.8236 7.3029 7.3029 7.3490 7.3490 7.3691 7.3691 7.6200 7.6200 7.7532 7.7532 7.7758 7.7758 7.8355 7.8355 8.2115 8.2115 8.2147 8.2147 8.3359 8.3359 8.4600 8.4600 8.4622 8.4622 8.9061 8.9061 k = 0.3333 0.5774 0.6521 ( 14400 PWs) bands (ev): 1.1697 1.1697 1.5898 1.5898 2.1238 2.1238 2.1306 2.1306 2.5135 2.5135 2.5200 2.5200 3.1230 3.1230 3.2617 3.2617 4.6831 4.6831 4.6955 4.6955 4.9360 4.9360 4.9460 4.9460 5.8254 5.8254 5.9886 5.9886 6.0122 6.0122 6.0392 6.0392 6.0946 6.0946 6.1345 6.1345 6.5641 6.5641 6.5768 6.5768 6.6150 6.6150 6.7260 6.7260 6.7281 6.7281 6.7928 6.7928 6.8020 6.8020 7.2388 7.2388 7.3998 7.3998 7.4205 7.4205 7.6479 7.6479 7.7049 7.7049 7.7279 7.7279 7.8123 7.8123 8.2565 8.2565 8.2591 8.2591 8.4051 8.4051 8.4486 8.4486 8.4503 8.4503 8.8443 8.8443 k = 0.3333 0.5774 0.6782 ( 14409 PWs) bands (ev): 1.2352 1.2352 1.5156 1.5156 2.1872 2.1872 2.1939 2.1939 2.4479 2.4479 2.4545 2.4545 3.1479 3.1479 3.2410 3.2410 4.7225 4.7225 4.7345 4.7345 4.8930 4.8930 4.9034 4.9034 5.8533 5.8533 5.9931 5.9931 6.0090 6.0090 6.0410 6.0410 6.0807 6.0807 6.1194 6.1194 6.5832 6.5832 6.5929 6.5929 6.6435 6.6435 6.6936 6.6936 6.6938 6.6938 6.7631 6.7631 6.8781 6.8781 7.1712 7.1712 7.4510 7.4510 7.4721 7.4721 7.6552 7.6552 7.6723 7.6723 7.6822 7.6822 7.7873 7.7873 8.2991 8.2991 8.3009 8.3009 8.4299 8.4299 8.4311 8.4311 8.4780 8.4780 8.7761 8.7761 k = 0.3333 0.5774 0.7043 ( 14436 PWs) bands (ev): 1.3026 1.3026 1.4429 1.4429 2.2516 2.2516 2.2582 2.2582 2.3822 2.3822 2.3888 2.3888 3.1723 3.1723 3.2191 3.2191 4.7638 4.7638 4.7753 4.7753 4.8495 4.8495 4.8603 4.8603 5.8845 5.8845 5.9552 5.9552 6.0289 6.0289 6.0623 6.0623 6.0650 6.0650 6.1022 6.1022 6.6059 6.6059 6.6125 6.6125 6.6604 6.6604 6.6614 6.6614 6.6761 6.6761 6.7331 6.7331 6.9539 6.9539 7.1009 7.1009 7.5024 7.5024 7.5240 7.5240 7.6047 7.6047 7.6269 7.6269 7.7054 7.7054 7.7609 7.7609 8.3386 8.3386 8.3396 8.3396 8.4049 8.4049 8.4054 8.4054 8.5529 8.5529 8.7036 8.7036 k = 0.3333 0.5774 0.7304 ( 14448 PWs) bands (ev): 1.3718 1.3718 1.3718 1.3718 2.3166 2.3166 2.3166 2.3166 2.3233 2.3233 2.3233 2.3233 3.1961 3.1961 3.1961 3.1961 4.8063 4.8063 4.8063 4.8063 4.8174 4.8174 4.8174 4.8174 5.9186 5.9186 5.9186 5.9186 6.0477 6.0477 6.0477 6.0477 6.0830 6.0830 6.0830 6.0830 6.6321 6.6321 6.6321 6.6321 6.6357 6.6357 6.6357 6.6357 6.7035 6.7035 6.7035 6.7035 7.0283 7.0283 7.0283 7.0283 7.5537 7.5537 7.5537 7.5537 7.5756 7.5756 7.5756 7.5756 7.7334 7.7334 7.7334 7.7334 8.3743 8.3743 8.3743 8.3743 8.3745 8.3745 8.3745 8.3745 8.6287 8.6287 8.6287 8.6287 Writing output data file Zr5Al4.save init_run : 0.29s CPU 0.49s WALL ( 1 calls) electrons : 997.58s CPU 1004.35s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.01s CPU 0.12s WALL ( 1 calls) Called by electrons: c_bands : 997.58s CPU 1004.34s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.01s WALL ( 1 calls) newd : 0.11s CPU 0.14s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.19s CPU 0.41s WALL ( 213 calls) cegterg : 897.44s CPU 902.81s WALL ( 725 calls) Called by sum_band: Called by *egterg: h_psi : 586.52s CPU 590.30s WALL ( 13691 calls) s_psi : 73.04s CPU 73.16s WALL ( 13691 calls) g_psi : 1.69s CPU 1.81s WALL ( 12753 calls) cdiaghg : 173.03s CPU 175.20s WALL ( 12966 calls) cegterg:over : 50.50s CPU 50.51s WALL ( 12753 calls) cegterg:upda : 51.38s CPU 51.10s WALL ( 12753 calls) cegterg:last : 25.18s CPU 25.35s WALL ( 1852 calls) cdiaghg:chol : 10.41s CPU 10.39s WALL ( 12966 calls) cdiaghg:inve : 7.55s CPU 7.47s WALL ( 12966 calls) cdiaghg:para : 13.14s CPU 12.97s WALL ( 25932 calls) Called by h_psi: h_psi:vloc : 439.55s CPU 442.89s WALL ( 13691 calls) h_psi:vnl : 144.64s CPU 144.97s WALL ( 13691 calls) add_vuspsi : 74.60s CPU 74.76s WALL ( 13691 calls) General routines calbec : 69.97s CPU 70.16s WALL ( 13691 calls) fft : 0.01s CPU 0.01s WALL ( 15 calls) fftw : 415.83s CPU 418.31s WALL ( 1796396 calls) davcio : 0.24s CPU 0.71s WALL ( 426 calls) Parallel routines fft_scatter : 124.40s CPU 125.36s WALL ( 1796411 calls) PWSCF : 17m11.39s CPU 17m31.69s WALL This run was terminated on: 19:34:26 27Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=