Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 18:35:49 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: ./Ni2Ge.save/ file Ni.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 24 17 5 762 455 75 Max 25 18 6 765 470 78 Sum 889 637 199 27491 16563 2763 bravais-lattice index = 14 lattice parameter (alat) = 7.3888 a.u. unit-cell volume = 449.9522 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 2 number of electrons = 48.00 number of Kohn-Sham states= 58 kinetic-energy cutoff = 42.0000 Ry charge density cutoff = 236.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.388829 celldm(2)= 1.000000 celldm(3)= 1.287980 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 1.287980 ) 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 0.776410 ) PseudoPot. # 1 for Ge read from file: /users/gautes/Pseudo/Ge.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 069ab8842bb693aa9ce6e533f48e0b78 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1207 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Ni read from file: /users/gautes/Pseudo/Ni.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 9d95a5a85785a32f0d1fefdc4874c578 Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1195 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 Ge 4.00 72.64000 Ge( 1.00) Ni 10.00 58.69340 Ni( 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 ) ( 0.6439898 ) isym = 3 180 deg rotation - cart. axis [0,1,0] cryst. s( 3) = ( -1 0 0 ) f =( 0.0000000 ) ( 1 1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s( 3) = ( -1.0000000 0.0000000 -0.0000000 ) f =( 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.6439898 ) isym = 4 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( 1 0 0 ) ( -1 -1 0 ) ( 0 0 -1 ) cart. s( 4) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 5 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 ) ( 0.6439898 ) 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 ) ( 0.6439898 ) 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 ) f =( 0.0000000 ) ( -1 0 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s( 9) = ( 0.5000000 -0.8660254 0.0000000 ) f =( 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.6439898 ) isym = 10 180 deg rotation - cryst. axis [2,1,0] cryst. s(10) = ( 1 1 0 ) f =( 0.0000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s(10) = ( 0.5000000 0.8660254 -0.0000000 ) f =( 0.0000000 ) ( 0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.6439898 ) isym = 11 180 deg rotation - cryst. axis [0,1,0] cryst. s(11) = ( -1 -1 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s(11) = ( -0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 12 180 deg rotation - cryst. axis [1,1,0] cryst. s(12) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s(12) = ( -0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) 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 ) ( 0.6439898 ) isym = 15 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s(15) = ( 1 0 0 ) f =( 0.0000000 ) ( -1 -1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s(15) = ( 1.0000000 -0.0000000 0.0000000 ) f =( 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.6439898 ) isym = 16 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s(16) = ( -1 0 0 ) ( 1 1 0 ) ( 0 0 1 ) cart. s(16) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) 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 ) ( 0.6439898 ) 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 ) ( 0.6439898 ) 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 ) f =( 0.0000000 ) ( 1 0 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s(21) = ( -0.5000000 0.8660254 -0.0000000 ) f =( 0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.6439898 ) isym = 22 inv. 180 deg rotation - cryst. axis [2,1,0] cryst. s(22) = ( -1 -1 0 ) f =( 0.0000000 ) ( 0 1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s(22) = ( -0.5000000 -0.8660254 0.0000000 ) f =( 0.0000000 ) ( -0.8660254 0.5000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.6439898 ) isym = 23 inv. 180 deg rotation - cryst. axis [0,1,0] cryst. s(23) = ( 1 1 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s(23) = ( 0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 24 inv. 180 deg rotation - cryst. axis [1,1,0] cryst. s(24) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s(24) = ( 0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) 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= 361 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027701 k( 2) = ( 0.0106383 0.0061420 -0.0000000), wk = 0.0027701 k( 3) = ( 0.0212766 0.0122841 -0.0000000), wk = 0.0027701 k( 4) = ( 0.0319149 0.0184261 -0.0000000), wk = 0.0027701 k( 5) = ( 0.0425532 0.0245681 -0.0000000), wk = 0.0027701 k( 6) = ( 0.0531915 0.0307101 -0.0000000), wk = 0.0027701 k( 7) = ( 0.0638298 0.0368521 -0.0000000), wk = 0.0027701 k( 8) = ( 0.0744681 0.0429942 -0.0000000), wk = 0.0027701 k( 9) = ( 0.0851064 0.0491362 -0.0000000), wk = 0.0027701 k( 10) = ( 0.0957447 0.0552782 -0.0000000), wk = 0.0027701 k( 11) = ( 0.1063830 0.0614202 -0.0000000), wk = 0.0027701 k( 12) = ( 0.1170213 0.0675623 -0.0000000), wk = 0.0027701 k( 13) = ( 0.1276596 0.0737043 -0.0000000), wk = 0.0027701 k( 14) = ( 0.1382979 0.0798463 -0.0000000), wk = 0.0027701 k( 15) = ( 0.1489362 0.0859883 -0.0000000), wk = 0.0027701 k( 16) = ( 0.1595745 0.0921304 -0.0000000), wk = 0.0027701 k( 17) = ( 0.1702128 0.0982724 -0.0000000), wk = 0.0027701 k( 18) = ( 0.1808511 0.1044144 -0.0000000), wk = 0.0027701 k( 19) = ( 0.1914894 0.1105564 -0.0000000), wk = 0.0027701 k( 20) = ( 0.2021277 0.1166985 -0.0000000), wk = 0.0027701 k( 21) = ( 0.2127660 0.1228405 -0.0000000), wk = 0.0027701 k( 22) = ( 0.2234043 0.1289825 -0.0000000), wk = 0.0027701 k( 23) = ( 0.2340425 0.1351245 -0.0000000), wk = 0.0027701 k( 24) = ( 0.2446809 0.1412666 -0.0000000), wk = 0.0027701 k( 25) = ( 0.2553191 0.1474086 -0.0000000), wk = 0.0027701 k( 26) = ( 0.2659574 0.1535506 -0.0000000), wk = 0.0027701 k( 27) = ( 0.2765957 0.1596926 -0.0000000), wk = 0.0027701 k( 28) = ( 0.2872340 0.1658347 -0.0000000), wk = 0.0027701 k( 29) = ( 0.2978723 0.1719767 -0.0000000), wk = 0.0027701 k( 30) = ( 0.3085106 0.1781187 -0.0000000), wk = 0.0027701 k( 31) = ( 0.3191489 0.1842607 -0.0000000), wk = 0.0027701 k( 32) = ( 0.3297872 0.1904027 -0.0000000), wk = 0.0027701 k( 33) = ( 0.3404255 0.1965448 -0.0000000), wk = 0.0027701 k( 34) = ( 0.3510638 0.2026868 -0.0000000), wk = 0.0027701 k( 35) = ( 0.3617021 0.2088288 -0.0000000), wk = 0.0027701 k( 36) = ( 0.3723404 0.2149708 -0.0000000), wk = 0.0027701 k( 37) = ( 0.3829787 0.2211129 -0.0000000), wk = 0.0027701 k( 38) = ( 0.3936170 0.2272549 -0.0000000), wk = 0.0027701 k( 39) = ( 0.4042553 0.2333969 -0.0000000), wk = 0.0027701 k( 40) = ( 0.4148936 0.2395389 -0.0000000), wk = 0.0027701 k( 41) = ( 0.4255319 0.2456810 -0.0000000), wk = 0.0027701 k( 42) = ( 0.4361702 0.2518230 -0.0000000), wk = 0.0027701 k( 43) = ( 0.4468085 0.2579650 -0.0000000), wk = 0.0027701 k( 44) = ( 0.4574468 0.2641070 -0.0000000), wk = 0.0027701 k( 45) = ( 0.4680851 0.2702491 -0.0000000), wk = 0.0027701 k( 46) = ( 0.4787234 0.2763911 -0.0000000), wk = 0.0027701 k( 47) = ( 0.4893617 0.2825331 -0.0000000), wk = 0.0027701 k( 48) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0027701 k( 49) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0027701 k( 50) = ( 0.4938272 0.2993668 -0.0000000), wk = 0.0027701 k( 51) = ( 0.4876543 0.3100585 -0.0000000), wk = 0.0027701 k( 52) = ( 0.4814815 0.3207502 -0.0000000), wk = 0.0027701 k( 53) = ( 0.4753086 0.3314418 -0.0000000), wk = 0.0027701 k( 54) = ( 0.4691358 0.3421335 -0.0000000), wk = 0.0027701 k( 55) = ( 0.4629630 0.3528252 -0.0000000), wk = 0.0027701 k( 56) = ( 0.4567901 0.3635168 -0.0000000), wk = 0.0027701 k( 57) = ( 0.4506173 0.3742085 -0.0000000), wk = 0.0027701 k( 58) = ( 0.4444444 0.3849002 -0.0000000), wk = 0.0027701 k( 59) = ( 0.4382716 0.3955918 -0.0000000), wk = 0.0027701 k( 60) = ( 0.4320988 0.4062835 -0.0000000), wk = 0.0027701 k( 61) = ( 0.4259259 0.4169752 -0.0000000), wk = 0.0027701 k( 62) = ( 0.4197531 0.4276669 -0.0000000), wk = 0.0027701 k( 63) = ( 0.4135802 0.4383585 -0.0000000), wk = 0.0027701 k( 64) = ( 0.4074074 0.4490502 -0.0000000), wk = 0.0027701 k( 65) = ( 0.4012346 0.4597419 -0.0000000), wk = 0.0027701 k( 66) = ( 0.3950617 0.4704335 -0.0000000), wk = 0.0027701 k( 67) = ( 0.3888889 0.4811252 -0.0000000), wk = 0.0027701 k( 68) = ( 0.3827160 0.4918169 -0.0000000), wk = 0.0027701 k( 69) = ( 0.3765432 0.5025086 -0.0000000), wk = 0.0027701 k( 70) = ( 0.3703704 0.5132002 -0.0000000), wk = 0.0027701 k( 71) = ( 0.3641975 0.5238919 -0.0000000), wk = 0.0027701 k( 72) = ( 0.3580247 0.5345836 -0.0000000), wk = 0.0027701 k( 73) = ( 0.3518519 0.5452753 -0.0000000), wk = 0.0027701 k( 74) = ( 0.3456790 0.5559669 -0.0000000), wk = 0.0027701 k( 75) = ( 0.3395062 0.5666586 -0.0000000), wk = 0.0027701 k( 76) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0027701 k( 77) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0027701 k( 78) = ( 0.3271605 0.5666586 -0.0000000), wk = 0.0027701 k( 79) = ( 0.3209877 0.5559669 -0.0000000), wk = 0.0027701 k( 80) = ( 0.3148148 0.5452752 -0.0000000), wk = 0.0027701 k( 81) = ( 0.3086420 0.5345836 -0.0000000), wk = 0.0027701 k( 82) = ( 0.3024691 0.5238919 -0.0000000), wk = 0.0027701 k( 83) = ( 0.2962963 0.5132002 -0.0000000), wk = 0.0027701 k( 84) = ( 0.2901235 0.5025086 -0.0000000), wk = 0.0027701 k( 85) = ( 0.2839506 0.4918169 -0.0000000), wk = 0.0027701 k( 86) = ( 0.2777778 0.4811252 -0.0000000), wk = 0.0027701 k( 87) = ( 0.2716049 0.4704336 -0.0000000), wk = 0.0027701 k( 88) = ( 0.2654321 0.4597419 -0.0000000), wk = 0.0027701 k( 89) = ( 0.2592593 0.4490502 -0.0000000), wk = 0.0027701 k( 90) = ( 0.2530864 0.4383585 -0.0000000), wk = 0.0027701 k( 91) = ( 0.2469136 0.4276669 -0.0000000), wk = 0.0027701 k( 92) = ( 0.2407407 0.4169752 -0.0000000), wk = 0.0027701 k( 93) = ( 0.2345679 0.4062835 -0.0000000), wk = 0.0027701 k( 94) = ( 0.2283951 0.3955918 -0.0000000), wk = 0.0027701 k( 95) = ( 0.2222222 0.3849002 -0.0000000), wk = 0.0027701 k( 96) = ( 0.2160494 0.3742085 -0.0000000), wk = 0.0027701 k( 97) = ( 0.2098765 0.3635168 -0.0000000), wk = 0.0027701 k( 98) = ( 0.2037037 0.3528252 -0.0000000), wk = 0.0027701 k( 99) = ( 0.1975309 0.3421335 -0.0000000), wk = 0.0027701 k( 100) = ( 0.1913580 0.3314418 -0.0000000), wk = 0.0027701 k( 101) = ( 0.1851852 0.3207502 -0.0000000), wk = 0.0027701 k( 102) = ( 0.1790123 0.3100585 -0.0000000), wk = 0.0027701 k( 103) = ( 0.1728395 0.2993668 -0.0000000), wk = 0.0027701 k( 104) = ( 0.1666667 0.2886751 -0.0000000), wk = 0.0027701 k( 105) = ( 0.1604938 0.2779835 -0.0000000), wk = 0.0027701 k( 106) = ( 0.1543210 0.2672918 -0.0000000), wk = 0.0027701 k( 107) = ( 0.1481482 0.2566001 -0.0000000), wk = 0.0027701 k( 108) = ( 0.1419753 0.2459085 -0.0000000), wk = 0.0027701 k( 109) = ( 0.1358025 0.2352168 -0.0000000), wk = 0.0027701 k( 110) = ( 0.1296296 0.2245251 -0.0000000), wk = 0.0027701 k( 111) = ( 0.1234568 0.2138334 -0.0000000), wk = 0.0027701 k( 112) = ( 0.1172839 0.2031418 -0.0000000), wk = 0.0027701 k( 113) = ( 0.1111111 0.1924501 -0.0000000), wk = 0.0027701 k( 114) = ( 0.1049383 0.1817584 -0.0000000), wk = 0.0027701 k( 115) = ( 0.0987654 0.1710667 -0.0000000), wk = 0.0027701 k( 116) = ( 0.0925926 0.1603751 -0.0000000), wk = 0.0027701 k( 117) = ( 0.0864198 0.1496834 -0.0000000), wk = 0.0027701 k( 118) = ( 0.0802469 0.1389917 -0.0000000), wk = 0.0027701 k( 119) = ( 0.0740741 0.1283001 -0.0000000), wk = 0.0027701 k( 120) = ( 0.0679012 0.1176084 -0.0000000), wk = 0.0027701 k( 121) = ( 0.0617284 0.1069167 -0.0000000), wk = 0.0027701 k( 122) = ( 0.0555556 0.0962251 -0.0000000), wk = 0.0027701 k( 123) = ( 0.0493827 0.0855334 -0.0000000), wk = 0.0027701 k( 124) = ( 0.0432099 0.0748417 -0.0000000), wk = 0.0027701 k( 125) = ( 0.0370370 0.0641500 -0.0000000), wk = 0.0027701 k( 126) = ( 0.0308642 0.0534584 -0.0000000), wk = 0.0027701 k( 127) = ( 0.0246914 0.0427667 -0.0000000), wk = 0.0027701 k( 128) = ( 0.0185185 0.0320750 -0.0000000), wk = 0.0027701 k( 129) = ( 0.0123457 0.0213833 -0.0000000), wk = 0.0027701 k( 130) = ( 0.0061728 0.0106917 -0.0000000), wk = 0.0027701 k( 131) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027701 k( 132) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027701 k( 133) = ( 0.0000000 0.0000000 0.0121314), wk = 0.0027701 k( 134) = ( 0.0000000 0.0000000 0.0242628), wk = 0.0027701 k( 135) = ( 0.0000000 0.0000000 0.0363942), wk = 0.0027701 k( 136) = ( 0.0000000 0.0000000 0.0485256), wk = 0.0027701 k( 137) = ( 0.0000000 0.0000000 0.0606570), wk = 0.0027701 k( 138) = ( 0.0000000 0.0000000 0.0727884), wk = 0.0027701 k( 139) = ( 0.0000000 0.0000000 0.0849198), wk = 0.0027701 k( 140) = ( 0.0000000 0.0000000 0.0970512), wk = 0.0027701 k( 141) = ( 0.0000000 0.0000000 0.1091826), wk = 0.0027701 k( 142) = ( 0.0000000 0.0000000 0.1213140), wk = 0.0027701 k( 143) = ( 0.0000000 0.0000000 0.1334454), wk = 0.0027701 k( 144) = ( 0.0000000 0.0000000 0.1455768), wk = 0.0027701 k( 145) = ( 0.0000000 0.0000000 0.1577083), wk = 0.0027701 k( 146) = ( 0.0000000 0.0000000 0.1698397), wk = 0.0027701 k( 147) = ( 0.0000000 0.0000000 0.1819711), wk = 0.0027701 k( 148) = ( 0.0000000 0.0000000 0.1941025), wk = 0.0027701 k( 149) = ( 0.0000000 0.0000000 0.2062339), wk = 0.0027701 k( 150) = ( 0.0000000 0.0000000 0.2183653), wk = 0.0027701 k( 151) = ( 0.0000000 0.0000000 0.2304967), wk = 0.0027701 k( 152) = ( 0.0000000 0.0000000 0.2426281), wk = 0.0027701 k( 153) = ( 0.0000000 0.0000000 0.2547595), wk = 0.0027701 k( 154) = ( 0.0000000 0.0000000 0.2668909), wk = 0.0027701 k( 155) = ( 0.0000000 0.0000000 0.2790223), wk = 0.0027701 k( 156) = ( 0.0000000 0.0000000 0.2911537), wk = 0.0027701 k( 157) = ( 0.0000000 0.0000000 0.3032851), wk = 0.0027701 k( 158) = ( 0.0000000 0.0000000 0.3154165), wk = 0.0027701 k( 159) = ( 0.0000000 0.0000000 0.3275479), wk = 0.0027701 k( 160) = ( 0.0000000 0.0000000 0.3396793), wk = 0.0027701 k( 161) = ( 0.0000000 0.0000000 0.3518107), wk = 0.0027701 k( 162) = ( 0.0000000 0.0000000 0.3639421), wk = 0.0027701 k( 163) = ( 0.0000000 0.0000000 0.3760735), wk = 0.0027701 k( 164) = ( 0.0000000 0.0000000 0.3882049), wk = 0.0027701 k( 165) = ( 0.0000000 0.0000000 0.3882049), wk = 0.0027701 k( 166) = ( 0.0106383 0.0061420 0.3882049), wk = 0.0027701 k( 167) = ( 0.0212766 0.0122841 0.3882049), wk = 0.0027701 k( 168) = ( 0.0319149 0.0184261 0.3882049), wk = 0.0027701 k( 169) = ( 0.0425532 0.0245681 0.3882049), wk = 0.0027701 k( 170) = ( 0.0531915 0.0307101 0.3882049), wk = 0.0027701 k( 171) = ( 0.0638298 0.0368521 0.3882049), wk = 0.0027701 k( 172) = ( 0.0744681 0.0429942 0.3882049), wk = 0.0027701 k( 173) = ( 0.0851064 0.0491362 0.3882049), wk = 0.0027701 k( 174) = ( 0.0957447 0.0552782 0.3882049), wk = 0.0027701 k( 175) = ( 0.1063830 0.0614202 0.3882049), wk = 0.0027701 k( 176) = ( 0.1170213 0.0675623 0.3882049), wk = 0.0027701 k( 177) = ( 0.1276596 0.0737043 0.3882049), wk = 0.0027701 k( 178) = ( 0.1382979 0.0798463 0.3882049), wk = 0.0027701 k( 179) = ( 0.1489362 0.0859883 0.3882049), wk = 0.0027701 k( 180) = ( 0.1595745 0.0921304 0.3882049), wk = 0.0027701 k( 181) = ( 0.1702128 0.0982724 0.3882049), wk = 0.0027701 k( 182) = ( 0.1808511 0.1044144 0.3882049), wk = 0.0027701 k( 183) = ( 0.1914894 0.1105564 0.3882049), wk = 0.0027701 k( 184) = ( 0.2021277 0.1166985 0.3882049), wk = 0.0027701 k( 185) = ( 0.2127660 0.1228405 0.3882049), wk = 0.0027701 k( 186) = ( 0.2234043 0.1289825 0.3882049), wk = 0.0027701 k( 187) = ( 0.2340425 0.1351245 0.3882049), wk = 0.0027701 k( 188) = ( 0.2446809 0.1412666 0.3882049), wk = 0.0027701 k( 189) = ( 0.2553191 0.1474086 0.3882049), wk = 0.0027701 k( 190) = ( 0.2659574 0.1535506 0.3882049), wk = 0.0027701 k( 191) = ( 0.2765957 0.1596926 0.3882049), wk = 0.0027701 k( 192) = ( 0.2872340 0.1658347 0.3882049), wk = 0.0027701 k( 193) = ( 0.2978723 0.1719767 0.3882049), wk = 0.0027701 k( 194) = ( 0.3085106 0.1781187 0.3882049), wk = 0.0027701 k( 195) = ( 0.3191489 0.1842607 0.3882049), wk = 0.0027701 k( 196) = ( 0.3297872 0.1904027 0.3882049), wk = 0.0027701 k( 197) = ( 0.3404255 0.1965448 0.3882049), wk = 0.0027701 k( 198) = ( 0.3510638 0.2026868 0.3882049), wk = 0.0027701 k( 199) = ( 0.3617021 0.2088288 0.3882049), wk = 0.0027701 k( 200) = ( 0.3723404 0.2149708 0.3882049), wk = 0.0027701 k( 201) = ( 0.3829787 0.2211129 0.3882049), wk = 0.0027701 k( 202) = ( 0.3936170 0.2272549 0.3882049), wk = 0.0027701 k( 203) = ( 0.4042553 0.2333969 0.3882049), wk = 0.0027701 k( 204) = ( 0.4148936 0.2395389 0.3882049), wk = 0.0027701 k( 205) = ( 0.4255319 0.2456810 0.3882049), wk = 0.0027701 k( 206) = ( 0.4361702 0.2518230 0.3882049), wk = 0.0027701 k( 207) = ( 0.4468085 0.2579650 0.3882049), wk = 0.0027701 k( 208) = ( 0.4574468 0.2641070 0.3882049), wk = 0.0027701 k( 209) = ( 0.4680851 0.2702491 0.3882049), wk = 0.0027701 k( 210) = ( 0.4787234 0.2763911 0.3882049), wk = 0.0027701 k( 211) = ( 0.4893617 0.2825331 0.3882049), wk = 0.0027701 k( 212) = ( 0.5000000 0.2886751 0.3882049), wk = 0.0027701 k( 213) = ( 0.5000000 0.2886751 0.3882049), wk = 0.0027701 k( 214) = ( 0.4938272 0.2993668 0.3882049), wk = 0.0027701 k( 215) = ( 0.4876543 0.3100585 0.3882049), wk = 0.0027701 k( 216) = ( 0.4814815 0.3207502 0.3882049), wk = 0.0027701 k( 217) = ( 0.4753086 0.3314418 0.3882049), wk = 0.0027701 k( 218) = ( 0.4691358 0.3421335 0.3882049), wk = 0.0027701 k( 219) = ( 0.4629630 0.3528252 0.3882049), wk = 0.0027701 k( 220) = ( 0.4567901 0.3635168 0.3882049), wk = 0.0027701 k( 221) = ( 0.4506173 0.3742085 0.3882049), wk = 0.0027701 k( 222) = ( 0.4444444 0.3849002 0.3882049), wk = 0.0027701 k( 223) = ( 0.4382716 0.3955918 0.3882049), wk = 0.0027701 k( 224) = ( 0.4320988 0.4062835 0.3882049), wk = 0.0027701 k( 225) = ( 0.4259259 0.4169752 0.3882049), wk = 0.0027701 k( 226) = ( 0.4197531 0.4276669 0.3882049), wk = 0.0027701 k( 227) = ( 0.4135802 0.4383585 0.3882049), wk = 0.0027701 k( 228) = ( 0.4074074 0.4490502 0.3882049), wk = 0.0027701 k( 229) = ( 0.4012346 0.4597419 0.3882049), wk = 0.0027701 k( 230) = ( 0.3950617 0.4704335 0.3882049), wk = 0.0027701 k( 231) = ( 0.3888889 0.4811252 0.3882049), wk = 0.0027701 k( 232) = ( 0.3827160 0.4918169 0.3882049), wk = 0.0027701 k( 233) = ( 0.3765432 0.5025086 0.3882049), wk = 0.0027701 k( 234) = ( 0.3703704 0.5132002 0.3882049), wk = 0.0027701 k( 235) = ( 0.3641975 0.5238919 0.3882049), wk = 0.0027701 k( 236) = ( 0.3580247 0.5345836 0.3882049), wk = 0.0027701 k( 237) = ( 0.3518519 0.5452753 0.3882049), wk = 0.0027701 k( 238) = ( 0.3456790 0.5559669 0.3882049), wk = 0.0027701 k( 239) = ( 0.3395062 0.5666586 0.3882049), wk = 0.0027701 k( 240) = ( 0.3333333 0.5773503 0.3882049), wk = 0.0027701 k( 241) = ( 0.3333333 0.5773503 0.3882049), wk = 0.0027701 k( 242) = ( 0.3271605 0.5666586 0.3882049), wk = 0.0027701 k( 243) = ( 0.3209877 0.5559669 0.3882049), wk = 0.0027701 k( 244) = ( 0.3148148 0.5452752 0.3882049), wk = 0.0027701 k( 245) = ( 0.3086420 0.5345836 0.3882049), wk = 0.0027701 k( 246) = ( 0.3024691 0.5238919 0.3882049), wk = 0.0027701 k( 247) = ( 0.2962963 0.5132002 0.3882049), wk = 0.0027701 k( 248) = ( 0.2901235 0.5025086 0.3882049), wk = 0.0027701 k( 249) = ( 0.2839506 0.4918169 0.3882049), wk = 0.0027701 k( 250) = ( 0.2777778 0.4811252 0.3882049), wk = 0.0027701 k( 251) = ( 0.2716049 0.4704336 0.3882049), wk = 0.0027701 k( 252) = ( 0.2654321 0.4597419 0.3882049), wk = 0.0027701 k( 253) = ( 0.2592593 0.4490502 0.3882049), wk = 0.0027701 k( 254) = ( 0.2530864 0.4383585 0.3882049), wk = 0.0027701 k( 255) = ( 0.2469136 0.4276669 0.3882049), wk = 0.0027701 k( 256) = ( 0.2407407 0.4169752 0.3882049), wk = 0.0027701 k( 257) = ( 0.2345679 0.4062835 0.3882049), wk = 0.0027701 k( 258) = ( 0.2283951 0.3955918 0.3882049), wk = 0.0027701 k( 259) = ( 0.2222222 0.3849002 0.3882049), wk = 0.0027701 k( 260) = ( 0.2160494 0.3742085 0.3882049), wk = 0.0027701 k( 261) = ( 0.2098765 0.3635168 0.3882049), wk = 0.0027701 k( 262) = ( 0.2037037 0.3528252 0.3882049), wk = 0.0027701 k( 263) = ( 0.1975309 0.3421335 0.3882049), wk = 0.0027701 k( 264) = ( 0.1913580 0.3314418 0.3882049), wk = 0.0027701 k( 265) = ( 0.1851852 0.3207502 0.3882049), wk = 0.0027701 k( 266) = ( 0.1790123 0.3100585 0.3882049), wk = 0.0027701 k( 267) = ( 0.1728395 0.2993668 0.3882049), wk = 0.0027701 k( 268) = ( 0.1666667 0.2886751 0.3882049), wk = 0.0027701 k( 269) = ( 0.1604938 0.2779835 0.3882049), wk = 0.0027701 k( 270) = ( 0.1543210 0.2672918 0.3882049), wk = 0.0027701 k( 271) = ( 0.1481482 0.2566001 0.3882049), wk = 0.0027701 k( 272) = ( 0.1419753 0.2459085 0.3882049), wk = 0.0027701 k( 273) = ( 0.1358025 0.2352168 0.3882049), wk = 0.0027701 k( 274) = ( 0.1296296 0.2245251 0.3882049), wk = 0.0027701 k( 275) = ( 0.1234568 0.2138334 0.3882049), wk = 0.0027701 k( 276) = ( 0.1172839 0.2031418 0.3882049), wk = 0.0027701 k( 277) = ( 0.1111111 0.1924501 0.3882049), wk = 0.0027701 k( 278) = ( 0.1049383 0.1817584 0.3882049), wk = 0.0027701 k( 279) = ( 0.0987654 0.1710667 0.3882049), wk = 0.0027701 k( 280) = ( 0.0925926 0.1603751 0.3882049), wk = 0.0027701 k( 281) = ( 0.0864198 0.1496834 0.3882049), wk = 0.0027701 k( 282) = ( 0.0802469 0.1389917 0.3882049), wk = 0.0027701 k( 283) = ( 0.0740741 0.1283001 0.3882049), wk = 0.0027701 k( 284) = ( 0.0679012 0.1176084 0.3882049), wk = 0.0027701 k( 285) = ( 0.0617284 0.1069167 0.3882049), wk = 0.0027701 k( 286) = ( 0.0555556 0.0962251 0.3882049), wk = 0.0027701 k( 287) = ( 0.0493827 0.0855334 0.3882049), wk = 0.0027701 k( 288) = ( 0.0432099 0.0748417 0.3882049), wk = 0.0027701 k( 289) = ( 0.0370370 0.0641500 0.3882049), wk = 0.0027701 k( 290) = ( 0.0308642 0.0534584 0.3882049), wk = 0.0027701 k( 291) = ( 0.0246914 0.0427667 0.3882049), wk = 0.0027701 k( 292) = ( 0.0185185 0.0320750 0.3882049), wk = 0.0027701 k( 293) = ( 0.0123457 0.0213833 0.3882049), wk = 0.0027701 k( 294) = ( 0.0061728 0.0106917 0.3882049), wk = 0.0027701 k( 295) = ( 0.0000000 0.0000000 0.3882049), wk = 0.0027701 k( 296) = ( 0.5000000 0.2886751 0.3882049), wk = 0.0027701 k( 297) = ( 0.5000000 0.2886751 0.3760735), wk = 0.0027701 k( 298) = ( 0.5000000 0.2886751 0.3639421), wk = 0.0027701 k( 299) = ( 0.5000000 0.2886751 0.3518107), wk = 0.0027701 k( 300) = ( 0.5000000 0.2886751 0.3396793), wk = 0.0027701 k( 301) = ( 0.5000000 0.2886751 0.3275479), wk = 0.0027701 k( 302) = ( 0.5000000 0.2886751 0.3154165), wk = 0.0027701 k( 303) = ( 0.5000000 0.2886751 0.3032851), wk = 0.0027701 k( 304) = ( 0.5000000 0.2886751 0.2911537), wk = 0.0027701 k( 305) = ( 0.5000000 0.2886751 0.2790223), wk = 0.0027701 k( 306) = ( 0.5000000 0.2886751 0.2668909), wk = 0.0027701 k( 307) = ( 0.5000000 0.2886751 0.2547595), wk = 0.0027701 k( 308) = ( 0.5000000 0.2886751 0.2426281), wk = 0.0027701 k( 309) = ( 0.5000000 0.2886751 0.2304967), wk = 0.0027701 k( 310) = ( 0.5000000 0.2886751 0.2183653), wk = 0.0027701 k( 311) = ( 0.5000000 0.2886751 0.2062339), wk = 0.0027701 k( 312) = ( 0.5000000 0.2886751 0.1941025), wk = 0.0027701 k( 313) = ( 0.5000000 0.2886751 0.1819711), wk = 0.0027701 k( 314) = ( 0.5000000 0.2886751 0.1698397), wk = 0.0027701 k( 315) = ( 0.5000000 0.2886751 0.1577083), wk = 0.0027701 k( 316) = ( 0.5000000 0.2886751 0.1455768), wk = 0.0027701 k( 317) = ( 0.5000000 0.2886751 0.1334454), wk = 0.0027701 k( 318) = ( 0.5000000 0.2886751 0.1213140), wk = 0.0027701 k( 319) = ( 0.5000000 0.2886751 0.1091826), wk = 0.0027701 k( 320) = ( 0.5000000 0.2886751 0.0970512), wk = 0.0027701 k( 321) = ( 0.5000000 0.2886751 0.0849198), wk = 0.0027701 k( 322) = ( 0.5000000 0.2886751 0.0727884), wk = 0.0027701 k( 323) = ( 0.5000000 0.2886751 0.0606570), wk = 0.0027701 k( 324) = ( 0.5000000 0.2886751 0.0485256), wk = 0.0027701 k( 325) = ( 0.5000000 0.2886751 0.0363942), wk = 0.0027701 k( 326) = ( 0.5000000 0.2886751 0.0242628), wk = 0.0027701 k( 327) = ( 0.5000000 0.2886751 0.0121314), wk = 0.0027701 k( 328) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0027701 k( 329) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0027701 k( 330) = ( 0.3333333 0.5773503 0.0121314), wk = 0.0027701 k( 331) = ( 0.3333333 0.5773503 0.0242628), wk = 0.0027701 k( 332) = ( 0.3333333 0.5773503 0.0363942), wk = 0.0027701 k( 333) = ( 0.3333333 0.5773503 0.0485256), wk = 0.0027701 k( 334) = ( 0.3333333 0.5773503 0.0606570), wk = 0.0027701 k( 335) = ( 0.3333333 0.5773503 0.0727884), wk = 0.0027701 k( 336) = ( 0.3333333 0.5773503 0.0849198), wk = 0.0027701 k( 337) = ( 0.3333333 0.5773503 0.0970512), wk = 0.0027701 k( 338) = ( 0.3333333 0.5773503 0.1091826), wk = 0.0027701 k( 339) = ( 0.3333333 0.5773503 0.1213140), wk = 0.0027701 k( 340) = ( 0.3333333 0.5773503 0.1334454), wk = 0.0027701 k( 341) = ( 0.3333333 0.5773503 0.1455768), wk = 0.0027701 k( 342) = ( 0.3333333 0.5773503 0.1577083), wk = 0.0027701 k( 343) = ( 0.3333333 0.5773503 0.1698397), wk = 0.0027701 k( 344) = ( 0.3333333 0.5773503 0.1819711), wk = 0.0027701 k( 345) = ( 0.3333333 0.5773503 0.1941025), wk = 0.0027701 k( 346) = ( 0.3333333 0.5773503 0.2062339), wk = 0.0027701 k( 347) = ( 0.3333333 0.5773503 0.2183653), wk = 0.0027701 k( 348) = ( 0.3333333 0.5773503 0.2304967), wk = 0.0027701 k( 349) = ( 0.3333333 0.5773503 0.2426281), wk = 0.0027701 k( 350) = ( 0.3333333 0.5773503 0.2547595), wk = 0.0027701 k( 351) = ( 0.3333333 0.5773503 0.2668909), wk = 0.0027701 k( 352) = ( 0.3333333 0.5773503 0.2790223), wk = 0.0027701 k( 353) = ( 0.3333333 0.5773503 0.2911537), wk = 0.0027701 k( 354) = ( 0.3333333 0.5773503 0.3032851), wk = 0.0027701 k( 355) = ( 0.3333333 0.5773503 0.3154165), wk = 0.0027701 k( 356) = ( 0.3333333 0.5773503 0.3275479), wk = 0.0027701 k( 357) = ( 0.3333333 0.5773503 0.3396793), wk = 0.0027701 k( 358) = ( 0.3333333 0.5773503 0.3518107), wk = 0.0027701 k( 359) = ( 0.3333333 0.5773503 0.3639421), wk = 0.0027701 k( 360) = ( 0.3333333 0.5773503 0.3760735), wk = 0.0027701 k( 361) = ( 0.3333333 0.5773503 0.3882049), wk = 0.0027701 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027701 k( 2) = ( 0.0106383 -0.0000000 -0.0000000), wk = 0.0027701 k( 3) = ( 0.0212766 -0.0000000 -0.0000000), wk = 0.0027701 k( 4) = ( 0.0319149 -0.0000000 -0.0000000), wk = 0.0027701 k( 5) = ( 0.0425532 -0.0000000 -0.0000000), wk = 0.0027701 k( 6) = ( 0.0531915 -0.0000000 -0.0000000), wk = 0.0027701 k( 7) = ( 0.0638298 -0.0000000 -0.0000000), wk = 0.0027701 k( 8) = ( 0.0744681 -0.0000000 -0.0000000), wk = 0.0027701 k( 9) = ( 0.0851064 -0.0000000 -0.0000000), wk = 0.0027701 k( 10) = ( 0.0957447 -0.0000000 -0.0000000), wk = 0.0027701 k( 11) = ( 0.1063830 -0.0000000 -0.0000000), wk = 0.0027701 k( 12) = ( 0.1170213 -0.0000000 -0.0000000), wk = 0.0027701 k( 13) = ( 0.1276596 -0.0000000 -0.0000000), wk = 0.0027701 k( 14) = ( 0.1382979 -0.0000000 0.0000000), wk = 0.0027701 k( 15) = ( 0.1489362 -0.0000000 -0.0000000), wk = 0.0027701 k( 16) = ( 0.1595745 -0.0000000 -0.0000000), wk = 0.0027701 k( 17) = ( 0.1702128 -0.0000000 -0.0000000), wk = 0.0027701 k( 18) = ( 0.1808511 -0.0000000 0.0000000), wk = 0.0027701 k( 19) = ( 0.1914894 -0.0000000 -0.0000000), wk = 0.0027701 k( 20) = ( 0.2021277 -0.0000000 -0.0000000), wk = 0.0027701 k( 21) = ( 0.2127660 -0.0000000 -0.0000000), wk = 0.0027701 k( 22) = ( 0.2234043 -0.0000000 -0.0000000), wk = 0.0027701 k( 23) = ( 0.2340425 -0.0000000 -0.0000000), wk = 0.0027701 k( 24) = ( 0.2446809 -0.0000000 -0.0000000), wk = 0.0027701 k( 25) = ( 0.2553191 -0.0000000 -0.0000000), wk = 0.0027701 k( 26) = ( 0.2659574 -0.0000000 -0.0000000), wk = 0.0027701 k( 27) = ( 0.2765957 -0.0000000 0.0000000), wk = 0.0027701 k( 28) = ( 0.2872340 -0.0000000 -0.0000000), wk = 0.0027701 k( 29) = ( 0.2978723 -0.0000000 -0.0000000), wk = 0.0027701 k( 30) = ( 0.3085106 -0.0000000 -0.0000000), wk = 0.0027701 k( 31) = ( 0.3191489 -0.0000000 -0.0000000), wk = 0.0027701 k( 32) = ( 0.3297872 -0.0000000 -0.0000000), wk = 0.0027701 k( 33) = ( 0.3404255 -0.0000000 -0.0000000), wk = 0.0027701 k( 34) = ( 0.3510638 -0.0000000 -0.0000000), wk = 0.0027701 k( 35) = ( 0.3617021 -0.0000000 -0.0000000), wk = 0.0027701 k( 36) = ( 0.3723404 -0.0000000 -0.0000000), wk = 0.0027701 k( 37) = ( 0.3829787 -0.0000000 -0.0000000), wk = 0.0027701 k( 38) = ( 0.3936170 -0.0000000 -0.0000000), wk = 0.0027701 k( 39) = ( 0.4042553 -0.0000000 -0.0000000), wk = 0.0027701 k( 40) = ( 0.4148936 -0.0000000 -0.0000000), wk = 0.0027701 k( 41) = ( 0.4255319 -0.0000000 -0.0000000), wk = 0.0027701 k( 42) = ( 0.4361702 -0.0000000 -0.0000000), wk = 0.0027701 k( 43) = ( 0.4468085 -0.0000000 -0.0000000), wk = 0.0027701 k( 44) = ( 0.4574468 -0.0000000 -0.0000000), wk = 0.0027701 k( 45) = ( 0.4680851 -0.0000000 -0.0000000), wk = 0.0027701 k( 46) = ( 0.4787234 -0.0000000 -0.0000000), wk = 0.0027701 k( 47) = ( 0.4893617 -0.0000000 -0.0000000), wk = 0.0027701 k( 48) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0027701 k( 49) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0027701 k( 50) = ( 0.4938272 0.0123457 -0.0000000), wk = 0.0027701 k( 51) = ( 0.4876543 0.0246914 -0.0000000), wk = 0.0027701 k( 52) = ( 0.4814815 0.0370370 -0.0000000), wk = 0.0027701 k( 53) = ( 0.4753086 0.0493827 -0.0000000), wk = 0.0027701 k( 54) = ( 0.4691358 0.0617284 -0.0000000), wk = 0.0027701 k( 55) = ( 0.4629630 0.0740741 0.0000000), wk = 0.0027701 k( 56) = ( 0.4567901 0.0864197 -0.0000000), wk = 0.0027701 k( 57) = ( 0.4506173 0.0987654 -0.0000000), wk = 0.0027701 k( 58) = ( 0.4444444 0.1111111 -0.0000000), wk = 0.0027701 k( 59) = ( 0.4382716 0.1234568 -0.0000000), wk = 0.0027701 k( 60) = ( 0.4320988 0.1358025 -0.0000000), wk = 0.0027701 k( 61) = ( 0.4259259 0.1481481 -0.0000000), wk = 0.0027701 k( 62) = ( 0.4197531 0.1604938 -0.0000000), wk = 0.0027701 k( 63) = ( 0.4135802 0.1728395 0.0000000), wk = 0.0027701 k( 64) = ( 0.4074074 0.1851852 -0.0000000), wk = 0.0027701 k( 65) = ( 0.4012346 0.1975309 -0.0000000), wk = 0.0027701 k( 66) = ( 0.3950617 0.2098765 -0.0000000), wk = 0.0027701 k( 67) = ( 0.3888889 0.2222222 0.0000000), wk = 0.0027701 k( 68) = ( 0.3827160 0.2345679 -0.0000000), wk = 0.0027701 k( 69) = ( 0.3765432 0.2469136 -0.0000000), wk = 0.0027701 k( 70) = ( 0.3703704 0.2592593 -0.0000000), wk = 0.0027701 k( 71) = ( 0.3641975 0.2716049 -0.0000000), wk = 0.0027701 k( 72) = ( 0.3580247 0.2839506 -0.0000000), wk = 0.0027701 k( 73) = ( 0.3518519 0.2962963 -0.0000000), wk = 0.0027701 k( 74) = ( 0.3456790 0.3086420 -0.0000000), wk = 0.0027701 k( 75) = ( 0.3395062 0.3209877 0.0000000), wk = 0.0027701 k( 76) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0027701 k( 77) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0027701 k( 78) = ( 0.3271605 0.3271605 -0.0000000), wk = 0.0027701 k( 79) = ( 0.3209877 0.3209877 0.0000000), wk = 0.0027701 k( 80) = ( 0.3148148 0.3148148 -0.0000000), wk = 0.0027701 k( 81) = ( 0.3086420 0.3086420 -0.0000000), wk = 0.0027701 k( 82) = ( 0.3024691 0.3024691 -0.0000000), wk = 0.0027701 k( 83) = ( 0.2962963 0.2962963 -0.0000000), wk = 0.0027701 k( 84) = ( 0.2901235 0.2901235 -0.0000000), wk = 0.0027701 k( 85) = ( 0.2839506 0.2839506 -0.0000000), wk = 0.0027701 k( 86) = ( 0.2777778 0.2777778 -0.0000000), wk = 0.0027701 k( 87) = ( 0.2716049 0.2716049 -0.0000000), wk = 0.0027701 k( 88) = ( 0.2654321 0.2654321 -0.0000000), wk = 0.0027701 k( 89) = ( 0.2592593 0.2592593 -0.0000000), wk = 0.0027701 k( 90) = ( 0.2530864 0.2530864 -0.0000000), wk = 0.0027701 k( 91) = ( 0.2469136 0.2469136 -0.0000000), wk = 0.0027701 k( 92) = ( 0.2407407 0.2407407 -0.0000000), wk = 0.0027701 k( 93) = ( 0.2345679 0.2345679 0.0000000), wk = 0.0027701 k( 94) = ( 0.2283951 0.2283951 -0.0000000), wk = 0.0027701 k( 95) = ( 0.2222222 0.2222222 -0.0000000), wk = 0.0027701 k( 96) = ( 0.2160494 0.2160494 -0.0000000), wk = 0.0027701 k( 97) = ( 0.2098765 0.2098765 -0.0000000), wk = 0.0027701 k( 98) = ( 0.2037037 0.2037037 0.0000000), wk = 0.0027701 k( 99) = ( 0.1975309 0.1975309 -0.0000000), wk = 0.0027701 k( 100) = ( 0.1913580 0.1913580 -0.0000000), wk = 0.0027701 k( 101) = ( 0.1851852 0.1851852 -0.0000000), wk = 0.0027701 k( 102) = ( 0.1790123 0.1790123 0.0000000), wk = 0.0027701 k( 103) = ( 0.1728395 0.1728395 0.0000000), wk = 0.0027701 k( 104) = ( 0.1666667 0.1666667 -0.0000000), wk = 0.0027701 k( 105) = ( 0.1604938 0.1604938 0.0000000), wk = 0.0027701 k( 106) = ( 0.1543210 0.1543210 -0.0000000), wk = 0.0027701 k( 107) = ( 0.1481482 0.1481482 -0.0000000), wk = 0.0027701 k( 108) = ( 0.1419753 0.1419753 -0.0000000), wk = 0.0027701 k( 109) = ( 0.1358025 0.1358025 -0.0000000), wk = 0.0027701 k( 110) = ( 0.1296296 0.1296296 -0.0000000), wk = 0.0027701 k( 111) = ( 0.1234568 0.1234568 -0.0000000), wk = 0.0027701 k( 112) = ( 0.1172839 0.1172839 0.0000000), wk = 0.0027701 k( 113) = ( 0.1111111 0.1111111 -0.0000000), wk = 0.0027701 k( 114) = ( 0.1049383 0.1049383 -0.0000000), wk = 0.0027701 k( 115) = ( 0.0987654 0.0987654 -0.0000000), wk = 0.0027701 k( 116) = ( 0.0925926 0.0925926 -0.0000000), wk = 0.0027701 k( 117) = ( 0.0864198 0.0864197 -0.0000000), wk = 0.0027701 k( 118) = ( 0.0802469 0.0802469 -0.0000000), wk = 0.0027701 k( 119) = ( 0.0740741 0.0740741 -0.0000000), wk = 0.0027701 k( 120) = ( 0.0679012 0.0679012 -0.0000000), wk = 0.0027701 k( 121) = ( 0.0617284 0.0617284 -0.0000000), wk = 0.0027701 k( 122) = ( 0.0555556 0.0555556 0.0000000), wk = 0.0027701 k( 123) = ( 0.0493827 0.0493827 -0.0000000), wk = 0.0027701 k( 124) = ( 0.0432099 0.0432099 -0.0000000), wk = 0.0027701 k( 125) = ( 0.0370370 0.0370370 -0.0000000), wk = 0.0027701 k( 126) = ( 0.0308642 0.0308642 -0.0000000), wk = 0.0027701 k( 127) = ( 0.0246914 0.0246914 -0.0000000), wk = 0.0027701 k( 128) = ( 0.0185185 0.0185185 -0.0000000), wk = 0.0027701 k( 129) = ( 0.0123457 0.0123457 -0.0000000), wk = 0.0027701 k( 130) = ( 0.0061728 0.0061728 -0.0000000), wk = 0.0027701 k( 131) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027701 k( 132) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027701 k( 133) = ( 0.0000000 0.0000000 0.0156250), wk = 0.0027701 k( 134) = ( 0.0000000 0.0000000 0.0312500), wk = 0.0027701 k( 135) = ( 0.0000000 0.0000000 0.0468750), wk = 0.0027701 k( 136) = ( 0.0000000 0.0000000 0.0625000), wk = 0.0027701 k( 137) = ( 0.0000000 0.0000000 0.0781250), wk = 0.0027701 k( 138) = ( 0.0000000 0.0000000 0.0937500), wk = 0.0027701 k( 139) = ( 0.0000000 0.0000000 0.1093750), wk = 0.0027701 k( 140) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0027701 k( 141) = ( 0.0000000 0.0000000 0.1406250), wk = 0.0027701 k( 142) = ( 0.0000000 0.0000000 0.1562500), wk = 0.0027701 k( 143) = ( 0.0000000 0.0000000 0.1718750), wk = 0.0027701 k( 144) = ( 0.0000000 0.0000000 0.1875000), wk = 0.0027701 k( 145) = ( 0.0000000 0.0000000 0.2031250), wk = 0.0027701 k( 146) = ( 0.0000000 0.0000000 0.2187500), wk = 0.0027701 k( 147) = ( 0.0000000 0.0000000 0.2343750), wk = 0.0027701 k( 148) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0027701 k( 149) = ( 0.0000000 0.0000000 0.2656250), wk = 0.0027701 k( 150) = ( 0.0000000 0.0000000 0.2812500), wk = 0.0027701 k( 151) = ( 0.0000000 0.0000000 0.2968750), wk = 0.0027701 k( 152) = ( 0.0000000 0.0000000 0.3125000), wk = 0.0027701 k( 153) = ( 0.0000000 0.0000000 0.3281250), wk = 0.0027701 k( 154) = ( 0.0000000 0.0000000 0.3437500), wk = 0.0027701 k( 155) = ( 0.0000000 0.0000000 0.3593750), wk = 0.0027701 k( 156) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0027701 k( 157) = ( 0.0000000 0.0000000 0.3906250), wk = 0.0027701 k( 158) = ( 0.0000000 0.0000000 0.4062500), wk = 0.0027701 k( 159) = ( 0.0000000 0.0000000 0.4218750), wk = 0.0027701 k( 160) = ( 0.0000000 0.0000000 0.4375000), wk = 0.0027701 k( 161) = ( 0.0000000 0.0000000 0.4531250), wk = 0.0027701 k( 162) = ( 0.0000000 0.0000000 0.4687500), wk = 0.0027701 k( 163) = ( 0.0000000 0.0000000 0.4843750), wk = 0.0027701 k( 164) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0027701 k( 165) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0027701 k( 166) = ( 0.0106383 -0.0000000 0.5000000), wk = 0.0027701 k( 167) = ( 0.0212766 -0.0000000 0.5000000), wk = 0.0027701 k( 168) = ( 0.0319149 -0.0000000 0.5000000), wk = 0.0027701 k( 169) = ( 0.0425532 -0.0000000 0.5000000), wk = 0.0027701 k( 170) = ( 0.0531915 -0.0000000 0.5000000), wk = 0.0027701 k( 171) = ( 0.0638298 -0.0000000 0.5000000), wk = 0.0027701 k( 172) = ( 0.0744681 -0.0000000 0.5000000), wk = 0.0027701 k( 173) = ( 0.0851064 -0.0000000 0.5000000), wk = 0.0027701 k( 174) = ( 0.0957447 -0.0000000 0.5000000), wk = 0.0027701 k( 175) = ( 0.1063830 -0.0000000 0.5000000), wk = 0.0027701 k( 176) = ( 0.1170213 -0.0000000 0.5000000), wk = 0.0027701 k( 177) = ( 0.1276596 -0.0000000 0.5000000), wk = 0.0027701 k( 178) = ( 0.1382979 -0.0000000 0.5000000), wk = 0.0027701 k( 179) = ( 0.1489362 -0.0000000 0.5000000), wk = 0.0027701 k( 180) = ( 0.1595745 -0.0000000 0.5000000), wk = 0.0027701 k( 181) = ( 0.1702128 -0.0000000 0.5000000), wk = 0.0027701 k( 182) = ( 0.1808511 -0.0000000 0.5000000), wk = 0.0027701 k( 183) = ( 0.1914894 -0.0000000 0.5000000), wk = 0.0027701 k( 184) = ( 0.2021277 -0.0000000 0.5000000), wk = 0.0027701 k( 185) = ( 0.2127660 -0.0000000 0.5000000), wk = 0.0027701 k( 186) = ( 0.2234043 -0.0000000 0.5000000), wk = 0.0027701 k( 187) = ( 0.2340425 -0.0000000 0.5000000), wk = 0.0027701 k( 188) = ( 0.2446809 -0.0000000 0.5000000), wk = 0.0027701 k( 189) = ( 0.2553191 -0.0000000 0.5000000), wk = 0.0027701 k( 190) = ( 0.2659574 -0.0000000 0.5000000), wk = 0.0027701 k( 191) = ( 0.2765957 -0.0000000 0.5000000), wk = 0.0027701 k( 192) = ( 0.2872340 -0.0000000 0.5000000), wk = 0.0027701 k( 193) = ( 0.2978723 -0.0000000 0.5000000), wk = 0.0027701 k( 194) = ( 0.3085106 -0.0000000 0.5000000), wk = 0.0027701 k( 195) = ( 0.3191489 -0.0000000 0.5000000), wk = 0.0027701 k( 196) = ( 0.3297872 -0.0000000 0.5000000), wk = 0.0027701 k( 197) = ( 0.3404255 -0.0000000 0.5000000), wk = 0.0027701 k( 198) = ( 0.3510638 -0.0000000 0.5000000), wk = 0.0027701 k( 199) = ( 0.3617021 -0.0000000 0.5000000), wk = 0.0027701 k( 200) = ( 0.3723404 -0.0000000 0.5000000), wk = 0.0027701 k( 201) = ( 0.3829787 -0.0000000 0.5000000), wk = 0.0027701 k( 202) = ( 0.3936170 -0.0000000 0.5000000), wk = 0.0027701 k( 203) = ( 0.4042553 -0.0000000 0.5000000), wk = 0.0027701 k( 204) = ( 0.4148936 -0.0000000 0.5000000), wk = 0.0027701 k( 205) = ( 0.4255319 -0.0000000 0.5000000), wk = 0.0027701 k( 206) = ( 0.4361702 -0.0000000 0.5000000), wk = 0.0027701 k( 207) = ( 0.4468085 -0.0000000 0.5000000), wk = 0.0027701 k( 208) = ( 0.4574468 -0.0000000 0.5000000), wk = 0.0027701 k( 209) = ( 0.4680851 -0.0000000 0.5000000), wk = 0.0027701 k( 210) = ( 0.4787234 -0.0000000 0.5000000), wk = 0.0027701 k( 211) = ( 0.4893617 -0.0000000 0.5000000), wk = 0.0027701 k( 212) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0027701 k( 213) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0027701 k( 214) = ( 0.4938272 0.0123457 0.5000000), wk = 0.0027701 k( 215) = ( 0.4876543 0.0246914 0.5000000), wk = 0.0027701 k( 216) = ( 0.4814815 0.0370370 0.5000000), wk = 0.0027701 k( 217) = ( 0.4753086 0.0493827 0.5000000), wk = 0.0027701 k( 218) = ( 0.4691358 0.0617284 0.5000000), wk = 0.0027701 k( 219) = ( 0.4629630 0.0740741 0.5000000), wk = 0.0027701 k( 220) = ( 0.4567901 0.0864197 0.5000000), wk = 0.0027701 k( 221) = ( 0.4506173 0.0987654 0.5000000), wk = 0.0027701 k( 222) = ( 0.4444444 0.1111111 0.5000000), wk = 0.0027701 k( 223) = ( 0.4382716 0.1234568 0.5000000), wk = 0.0027701 k( 224) = ( 0.4320988 0.1358025 0.5000000), wk = 0.0027701 k( 225) = ( 0.4259259 0.1481481 0.5000000), wk = 0.0027701 k( 226) = ( 0.4197531 0.1604938 0.5000000), wk = 0.0027701 k( 227) = ( 0.4135802 0.1728395 0.5000000), wk = 0.0027701 k( 228) = ( 0.4074074 0.1851852 0.5000000), wk = 0.0027701 k( 229) = ( 0.4012346 0.1975309 0.5000000), wk = 0.0027701 k( 230) = ( 0.3950617 0.2098765 0.5000000), wk = 0.0027701 k( 231) = ( 0.3888889 0.2222222 0.5000000), wk = 0.0027701 k( 232) = ( 0.3827160 0.2345679 0.5000000), wk = 0.0027701 k( 233) = ( 0.3765432 0.2469136 0.5000000), wk = 0.0027701 k( 234) = ( 0.3703704 0.2592593 0.5000000), wk = 0.0027701 k( 235) = ( 0.3641975 0.2716049 0.5000000), wk = 0.0027701 k( 236) = ( 0.3580247 0.2839506 0.5000000), wk = 0.0027701 k( 237) = ( 0.3518519 0.2962963 0.5000000), wk = 0.0027701 k( 238) = ( 0.3456790 0.3086420 0.5000000), wk = 0.0027701 k( 239) = ( 0.3395062 0.3209877 0.5000000), wk = 0.0027701 k( 240) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0027701 k( 241) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0027701 k( 242) = ( 0.3271605 0.3271605 0.5000000), wk = 0.0027701 k( 243) = ( 0.3209877 0.3209877 0.5000000), wk = 0.0027701 k( 244) = ( 0.3148148 0.3148148 0.5000000), wk = 0.0027701 k( 245) = ( 0.3086420 0.3086420 0.5000000), wk = 0.0027701 k( 246) = ( 0.3024691 0.3024691 0.5000000), wk = 0.0027701 k( 247) = ( 0.2962963 0.2962963 0.5000000), wk = 0.0027701 k( 248) = ( 0.2901235 0.2901235 0.5000000), wk = 0.0027701 k( 249) = ( 0.2839506 0.2839506 0.5000000), wk = 0.0027701 k( 250) = ( 0.2777778 0.2777778 0.5000000), wk = 0.0027701 k( 251) = ( 0.2716049 0.2716049 0.5000000), wk = 0.0027701 k( 252) = ( 0.2654321 0.2654321 0.5000000), wk = 0.0027701 k( 253) = ( 0.2592593 0.2592593 0.5000000), wk = 0.0027701 k( 254) = ( 0.2530864 0.2530864 0.5000000), wk = 0.0027701 k( 255) = ( 0.2469136 0.2469136 0.5000000), wk = 0.0027701 k( 256) = ( 0.2407407 0.2407407 0.5000000), wk = 0.0027701 k( 257) = ( 0.2345679 0.2345679 0.5000000), wk = 0.0027701 k( 258) = ( 0.2283951 0.2283951 0.5000000), wk = 0.0027701 k( 259) = ( 0.2222222 0.2222222 0.5000000), wk = 0.0027701 k( 260) = ( 0.2160494 0.2160494 0.5000000), wk = 0.0027701 k( 261) = ( 0.2098765 0.2098765 0.5000000), wk = 0.0027701 k( 262) = ( 0.2037037 0.2037037 0.5000000), wk = 0.0027701 k( 263) = ( 0.1975309 0.1975309 0.5000000), wk = 0.0027701 k( 264) = ( 0.1913580 0.1913580 0.5000000), wk = 0.0027701 k( 265) = ( 0.1851852 0.1851852 0.5000000), wk = 0.0027701 k( 266) = ( 0.1790123 0.1790123 0.5000000), wk = 0.0027701 k( 267) = ( 0.1728395 0.1728395 0.5000000), wk = 0.0027701 k( 268) = ( 0.1666667 0.1666667 0.5000000), wk = 0.0027701 k( 269) = ( 0.1604938 0.1604938 0.5000000), wk = 0.0027701 k( 270) = ( 0.1543210 0.1543210 0.5000000), wk = 0.0027701 k( 271) = ( 0.1481482 0.1481482 0.5000000), wk = 0.0027701 k( 272) = ( 0.1419753 0.1419753 0.5000000), wk = 0.0027701 k( 273) = ( 0.1358025 0.1358025 0.5000000), wk = 0.0027701 k( 274) = ( 0.1296296 0.1296296 0.5000000), wk = 0.0027701 k( 275) = ( 0.1234568 0.1234568 0.5000000), wk = 0.0027701 k( 276) = ( 0.1172839 0.1172839 0.5000000), wk = 0.0027701 k( 277) = ( 0.1111111 0.1111111 0.5000000), wk = 0.0027701 k( 278) = ( 0.1049383 0.1049383 0.5000000), wk = 0.0027701 k( 279) = ( 0.0987654 0.0987654 0.5000000), wk = 0.0027701 k( 280) = ( 0.0925926 0.0925926 0.5000000), wk = 0.0027701 k( 281) = ( 0.0864198 0.0864197 0.5000000), wk = 0.0027701 k( 282) = ( 0.0802469 0.0802469 0.5000000), wk = 0.0027701 k( 283) = ( 0.0740741 0.0740741 0.5000000), wk = 0.0027701 k( 284) = ( 0.0679012 0.0679012 0.5000000), wk = 0.0027701 k( 285) = ( 0.0617284 0.0617284 0.5000000), wk = 0.0027701 k( 286) = ( 0.0555556 0.0555556 0.5000000), wk = 0.0027701 k( 287) = ( 0.0493827 0.0493827 0.5000000), wk = 0.0027701 k( 288) = ( 0.0432099 0.0432099 0.5000000), wk = 0.0027701 k( 289) = ( 0.0370370 0.0370370 0.5000000), wk = 0.0027701 k( 290) = ( 0.0308642 0.0308642 0.5000000), wk = 0.0027701 k( 291) = ( 0.0246914 0.0246914 0.5000000), wk = 0.0027701 k( 292) = ( 0.0185185 0.0185185 0.5000000), wk = 0.0027701 k( 293) = ( 0.0123457 0.0123457 0.5000000), wk = 0.0027701 k( 294) = ( 0.0061728 0.0061728 0.5000000), wk = 0.0027701 k( 295) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0027701 k( 296) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0027701 k( 297) = ( 0.5000000 -0.0000000 0.4843750), wk = 0.0027701 k( 298) = ( 0.5000000 -0.0000000 0.4687500), wk = 0.0027701 k( 299) = ( 0.5000000 -0.0000000 0.4531250), wk = 0.0027701 k( 300) = ( 0.5000000 -0.0000000 0.4375000), wk = 0.0027701 k( 301) = ( 0.5000000 -0.0000000 0.4218750), wk = 0.0027701 k( 302) = ( 0.5000000 -0.0000000 0.4062500), wk = 0.0027701 k( 303) = ( 0.5000000 -0.0000000 0.3906250), wk = 0.0027701 k( 304) = ( 0.5000000 -0.0000000 0.3750000), wk = 0.0027701 k( 305) = ( 0.5000000 -0.0000000 0.3593750), wk = 0.0027701 k( 306) = ( 0.5000000 -0.0000000 0.3437500), wk = 0.0027701 k( 307) = ( 0.5000000 -0.0000000 0.3281250), wk = 0.0027701 k( 308) = ( 0.5000000 -0.0000000 0.3125000), wk = 0.0027701 k( 309) = ( 0.5000000 -0.0000000 0.2968750), wk = 0.0027701 k( 310) = ( 0.5000000 -0.0000000 0.2812500), wk = 0.0027701 k( 311) = ( 0.5000000 -0.0000000 0.2656250), wk = 0.0027701 k( 312) = ( 0.5000000 -0.0000000 0.2500000), wk = 0.0027701 k( 313) = ( 0.5000000 -0.0000000 0.2343750), wk = 0.0027701 k( 314) = ( 0.5000000 -0.0000000 0.2187500), wk = 0.0027701 k( 315) = ( 0.5000000 -0.0000000 0.2031250), wk = 0.0027701 k( 316) = ( 0.5000000 -0.0000000 0.1875000), wk = 0.0027701 k( 317) = ( 0.5000000 -0.0000000 0.1718750), wk = 0.0027701 k( 318) = ( 0.5000000 -0.0000000 0.1562500), wk = 0.0027701 k( 319) = ( 0.5000000 -0.0000000 0.1406250), wk = 0.0027701 k( 320) = ( 0.5000000 -0.0000000 0.1250000), wk = 0.0027701 k( 321) = ( 0.5000000 -0.0000000 0.1093750), wk = 0.0027701 k( 322) = ( 0.5000000 -0.0000000 0.0937500), wk = 0.0027701 k( 323) = ( 0.5000000 -0.0000000 0.0781250), wk = 0.0027701 k( 324) = ( 0.5000000 -0.0000000 0.0625000), wk = 0.0027701 k( 325) = ( 0.5000000 -0.0000000 0.0468750), wk = 0.0027701 k( 326) = ( 0.5000000 -0.0000000 0.0312500), wk = 0.0027701 k( 327) = ( 0.5000000 -0.0000000 0.0156250), wk = 0.0027701 k( 328) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0027701 k( 329) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0027701 k( 330) = ( 0.3333333 0.3333333 0.0156250), wk = 0.0027701 k( 331) = ( 0.3333333 0.3333333 0.0312500), wk = 0.0027701 k( 332) = ( 0.3333333 0.3333333 0.0468750), wk = 0.0027701 k( 333) = ( 0.3333333 0.3333333 0.0625000), wk = 0.0027701 k( 334) = ( 0.3333333 0.3333333 0.0781250), wk = 0.0027701 k( 335) = ( 0.3333333 0.3333333 0.0937500), wk = 0.0027701 k( 336) = ( 0.3333333 0.3333333 0.1093750), wk = 0.0027701 k( 337) = ( 0.3333333 0.3333333 0.1250000), wk = 0.0027701 k( 338) = ( 0.3333333 0.3333333 0.1406250), wk = 0.0027701 k( 339) = ( 0.3333333 0.3333333 0.1562500), wk = 0.0027701 k( 340) = ( 0.3333333 0.3333333 0.1718750), wk = 0.0027701 k( 341) = ( 0.3333333 0.3333333 0.1875000), wk = 0.0027701 k( 342) = ( 0.3333333 0.3333333 0.2031250), wk = 0.0027701 k( 343) = ( 0.3333333 0.3333333 0.2187500), wk = 0.0027701 k( 344) = ( 0.3333333 0.3333333 0.2343750), wk = 0.0027701 k( 345) = ( 0.3333333 0.3333333 0.2500000), wk = 0.0027701 k( 346) = ( 0.3333333 0.3333333 0.2656250), wk = 0.0027701 k( 347) = ( 0.3333333 0.3333333 0.2812500), wk = 0.0027701 k( 348) = ( 0.3333333 0.3333333 0.2968750), wk = 0.0027701 k( 349) = ( 0.3333333 0.3333333 0.3125000), wk = 0.0027701 k( 350) = ( 0.3333333 0.3333333 0.3281250), wk = 0.0027701 k( 351) = ( 0.3333333 0.3333333 0.3437500), wk = 0.0027701 k( 352) = ( 0.3333333 0.3333333 0.3593750), wk = 0.0027701 k( 353) = ( 0.3333333 0.3333333 0.3750000), wk = 0.0027701 k( 354) = ( 0.3333333 0.3333333 0.3906250), wk = 0.0027701 k( 355) = ( 0.3333333 0.3333333 0.4062500), wk = 0.0027701 k( 356) = ( 0.3333333 0.3333333 0.4218750), wk = 0.0027701 k( 357) = ( 0.3333333 0.3333333 0.4375000), wk = 0.0027701 k( 358) = ( 0.3333333 0.3333333 0.4531250), wk = 0.0027701 k( 359) = ( 0.3333333 0.3333333 0.4687500), wk = 0.0027701 k( 360) = ( 0.3333333 0.3333333 0.4843750), wk = 0.0027701 k( 361) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0027701 Dense grid: 27491 G-vectors FFT dimensions: ( 40, 40, 48) Smooth grid: 16563 G-vectors FFT dimensions: ( 32, 32, 40) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.11 Mb ( 122, 58) NL pseudopotentials 0.15 Mb ( 61, 164) Each V/rho on FFT grid 0.05 Mb ( 3200) Each G-vector array 0.01 Mb ( 763) G-vector shells 0.00 Mb ( 352) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.43 Mb ( 122, 232) Each subspace H/S matrix 0.05 Mb ( 58, 58) Each matrix 0.29 Mb ( 164, 2, 58) The potential is recalculated from file : ./Ni2Ge.save/charge-density.dat Starting wfc are 88 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 1.9 secs Computing kpt #: 2 total cpu time spent up to now is 2.2 secs Computing kpt #: 3 total cpu time spent up to now is 2.6 secs Computing kpt #: 4 total cpu time spent up to now is 3.0 secs Computing kpt #: 5 total cpu time spent up to now is 3.4 secs Computing kpt #: 6 total cpu time spent up to now is 3.8 secs Computing kpt #: 7 total cpu time spent up to now is 4.2 secs Computing kpt #: 8 total cpu time spent up to now is 4.6 secs Computing kpt #: 9 total cpu time spent up to now is 5.2 secs Computing kpt #: 10 total cpu time spent up to now is 5.6 secs Computing kpt #: 11 total cpu time spent up to now is 5.9 secs Computing kpt #: 12 total cpu time spent up to now is 6.3 secs Computing kpt #: 13 total cpu time spent up to now is 6.7 secs Computing kpt #: 14 total cpu time spent up to now is 7.1 secs Computing kpt #: 15 total cpu time spent up to now is 7.5 secs Computing kpt #: 16 total cpu time spent up to now is 7.9 secs Computing kpt #: 17 total cpu time spent up to now is 8.2 secs Computing kpt #: 18 total cpu time spent up to now is 8.6 secs Computing kpt #: 19 total cpu time spent up to now is 9.0 secs Computing kpt #: 20 total cpu time spent up to now is 9.3 secs Computing kpt #: 21 total cpu time spent up to now is 9.6 secs Computing kpt #: 22 total cpu time spent up to now is 10.0 secs Computing kpt #: 23 total cpu time spent up to now is 10.3 secs Computing kpt #: 24 total cpu time spent up to now is 10.7 secs Computing kpt #: 25 total cpu time spent up to now is 11.0 secs Computing kpt #: 26 total cpu time spent up to now is 11.4 secs Computing kpt #: 27 total cpu time spent up to now is 11.8 secs Computing kpt #: 28 total cpu time spent up to now is 12.1 secs Computing kpt #: 29 total cpu time spent up to now is 12.5 secs Computing kpt #: 30 total cpu time spent up to now is 12.8 secs Computing kpt #: 31 total cpu time spent up to now is 13.2 secs Computing kpt #: 32 total cpu time spent up to now is 13.5 secs Computing kpt #: 33 total cpu time spent up to now is 13.9 secs Computing kpt #: 34 total cpu time spent up to now is 14.2 secs Computing kpt #: 35 total cpu time spent up to now is 14.6 secs Computing kpt #: 36 total cpu time spent up to now is 14.9 secs Computing kpt #: 37 total cpu time spent up to now is 15.2 secs Computing kpt #: 38 total cpu time spent up to now is 15.6 secs Computing kpt #: 39 total cpu time spent up to now is 15.9 secs Computing kpt #: 40 total cpu time spent up to now is 16.2 secs Computing kpt #: 41 total cpu time spent up to now is 16.6 secs Computing kpt #: 42 total cpu time spent up to now is 16.9 secs Computing kpt #: 43 total cpu time spent up to now is 17.2 secs Computing kpt #: 44 total cpu time spent up to now is 17.6 secs Computing kpt #: 45 total cpu time spent up to now is 17.9 secs Computing kpt #: 46 total cpu time spent up to now is 18.2 secs Computing kpt #: 47 total cpu time spent up to now is 18.5 secs Computing kpt #: 48 total cpu time spent up to now is 18.8 secs Computing kpt #: 49 total cpu time spent up to now is 19.1 secs Computing kpt #: 50 total cpu time spent up to now is 19.5 secs Computing kpt #: 51 total cpu time spent up to now is 19.8 secs Computing kpt #: 52 total cpu time spent up to now is 20.1 secs Computing kpt #: 53 total cpu time spent up to now is 20.4 secs Computing kpt #: 54 total cpu time spent up to now is 20.8 secs Computing kpt #: 55 total cpu time spent up to now is 21.1 secs Computing kpt #: 56 total cpu time spent up to now is 21.4 secs Computing kpt #: 57 total cpu time spent up to now is 21.8 secs Computing kpt #: 58 total cpu time spent up to now is 22.1 secs Computing kpt #: 59 total cpu time spent up to now is 22.4 secs Computing kpt #: 60 total cpu time spent up to now is 22.8 secs Computing kpt #: 61 total cpu time spent up to now is 23.1 secs Computing kpt #: 62 total cpu time spent up to now is 23.5 secs Computing kpt #: 63 total cpu time spent up to now is 23.9 secs Computing kpt #: 64 total cpu time spent up to now is 24.3 secs Computing kpt #: 65 total cpu time spent up to now is 24.8 secs Computing kpt #: 66 total cpu time spent up to now is 25.2 secs Computing kpt #: 67 total cpu time spent up to now is 25.5 secs Computing kpt #: 68 total cpu time spent up to now is 26.0 secs Computing kpt #: 69 total cpu time spent up to now is 26.4 secs Computing kpt #: 70 total cpu time spent up to now is 26.8 secs Computing kpt #: 71 total cpu time spent up to now is 27.3 secs Computing kpt #: 72 total cpu time spent up to now is 27.6 secs Computing kpt #: 73 total cpu time spent up to now is 27.9 secs Computing kpt #: 74 total cpu time spent up to now is 28.2 secs Computing kpt #: 75 total cpu time spent up to now is 28.5 secs Computing kpt #: 76 total cpu time spent up to now is 28.8 secs Computing kpt #: 77 total cpu time spent up to now is 29.2 secs Computing kpt #: 78 total cpu time spent up to now is 29.5 secs Computing kpt #: 79 total cpu time spent up to now is 29.8 secs Computing kpt #: 80 total cpu time spent up to now is 30.1 secs Computing kpt #: 81 total cpu time spent up to now is 30.4 secs Computing kpt #: 82 total cpu time spent up to now is 30.7 secs Computing kpt #: 83 total cpu time spent up to now is 31.1 secs Computing kpt #: 84 total cpu time spent up to now is 31.4 secs Computing kpt #: 85 total cpu time spent up to now is 31.7 secs Computing kpt #: 86 total cpu time spent up to now is 32.1 secs Computing kpt #: 87 total cpu time spent up to now is 32.4 secs Computing kpt #: 88 total cpu time spent up to now is 32.8 secs Computing kpt #: 89 total cpu time spent up to now is 33.1 secs Computing kpt #: 90 total cpu time spent up to now is 33.5 secs Computing kpt #: 91 total cpu time spent up to now is 33.8 secs Computing kpt #: 92 total cpu time spent up to now is 34.2 secs Computing kpt #: 93 total cpu time spent up to now is 34.6 secs Computing kpt #: 94 total cpu time spent up to now is 35.4 secs Computing kpt #: 95 total cpu time spent up to now is 35.9 secs Computing kpt #: 96 total cpu time spent up to now is 36.3 secs Computing kpt #: 97 total cpu time spent up to now is 36.7 secs Computing kpt #: 98 total cpu time spent up to now is 37.2 secs Computing kpt #: 99 total cpu time spent up to now is 37.7 secs Computing kpt #: 100 total cpu time spent up to now is 38.1 secs Computing kpt #: 101 total cpu time spent up to now is 38.5 secs Computing kpt #: 102 total cpu time spent up to now is 38.9 secs Computing kpt #: 103 total cpu time spent up to now is 39.3 secs Computing kpt #: 104 total cpu time spent up to now is 39.7 secs Computing kpt #: 105 total cpu time spent up to now is 40.1 secs Computing kpt #: 106 total cpu time spent up to now is 40.5 secs Computing kpt #: 107 total cpu time spent up to now is 40.9 secs Computing kpt #: 108 total cpu time spent up to now is 41.3 secs Computing kpt #: 109 total cpu time spent up to now is 41.8 secs Computing kpt #: 110 total cpu time spent up to now is 42.2 secs Computing kpt #: 111 total cpu time spent up to now is 42.6 secs Computing kpt #: 112 total cpu time spent up to now is 43.0 secs Computing kpt #: 113 total cpu time spent up to now is 43.4 secs Computing kpt #: 114 total cpu time spent up to now is 43.8 secs Computing kpt #: 115 total cpu time spent up to now is 44.2 secs Computing kpt #: 116 total cpu time spent up to now is 44.6 secs Computing kpt #: 117 total cpu time spent up to now is 45.0 secs Computing kpt #: 118 total cpu time spent up to now is 45.4 secs Computing kpt #: 119 total cpu time spent up to now is 45.8 secs Computing kpt #: 120 total cpu time spent up to now is 46.2 secs Computing kpt #: 121 total cpu time spent up to now is 46.6 secs Computing kpt #: 122 total cpu time spent up to now is 47.0 secs Computing kpt #: 123 total cpu time spent up to now is 47.4 secs Computing kpt #: 124 total cpu time spent up to now is 47.7 secs Computing kpt #: 125 total cpu time spent up to now is 48.1 secs Computing kpt #: 126 total cpu time spent up to now is 48.5 secs Computing kpt #: 127 total cpu time spent up to now is 48.9 secs Computing kpt #: 128 total cpu time spent up to now is 49.3 secs Computing kpt #: 129 total cpu time spent up to now is 49.7 secs Computing kpt #: 130 total cpu time spent up to now is 50.1 secs Computing kpt #: 131 total cpu time spent up to now is 50.5 secs Computing kpt #: 132 total cpu time spent up to now is 50.8 secs Computing kpt #: 133 total cpu time spent up to now is 51.2 secs Computing kpt #: 134 total cpu time spent up to now is 51.6 secs Computing kpt #: 135 total cpu time spent up to now is 52.0 secs Computing kpt #: 136 total cpu time spent up to now is 52.3 secs Computing kpt #: 137 total cpu time spent up to now is 52.7 secs Computing kpt #: 138 total cpu time spent up to now is 53.1 secs Computing kpt #: 139 total cpu time spent up to now is 53.5 secs Computing kpt #: 140 total cpu time spent up to now is 53.9 secs Computing kpt #: 141 total cpu time spent up to now is 54.3 secs Computing kpt #: 142 total cpu time spent up to now is 54.7 secs Computing kpt #: 143 total cpu time spent up to now is 55.1 secs Computing kpt #: 144 total cpu time spent up to now is 55.4 secs Computing kpt #: 145 total cpu time spent up to now is 55.8 secs Computing kpt #: 146 total cpu time spent up to now is 56.2 secs Computing kpt #: 147 total cpu time spent up to now is 56.6 secs Computing kpt #: 148 total cpu time spent up to now is 57.0 secs Computing kpt #: 149 total cpu time spent up to now is 57.4 secs Computing kpt #: 150 total cpu time spent up to now is 57.8 secs Computing kpt #: 151 total cpu time spent up to now is 58.3 secs Computing kpt #: 152 total cpu time spent up to now is 58.7 secs Computing kpt #: 153 total cpu time spent up to now is 59.1 secs Computing kpt #: 154 total cpu time spent up to now is 59.5 secs Computing kpt #: 155 total cpu time spent up to now is 59.9 secs Computing kpt #: 156 total cpu time spent up to now is 60.3 secs Computing kpt #: 157 total cpu time spent up to now is 60.7 secs Computing kpt #: 158 total cpu time spent up to now is 61.1 secs Computing kpt #: 159 total cpu time spent up to now is 61.5 secs Computing kpt #: 160 total cpu time spent up to now is 61.9 secs Computing kpt #: 161 total cpu time spent up to now is 62.3 secs Computing kpt #: 162 total cpu time spent up to now is 62.7 secs Computing kpt #: 163 total cpu time spent up to now is 63.0 secs Computing kpt #: 164 total cpu time spent up to now is 63.4 secs Computing kpt #: 165 total cpu time spent up to now is 63.8 secs Computing kpt #: 166 total cpu time spent up to now is 64.2 secs Computing kpt #: 167 total cpu time spent up to now is 64.6 secs Computing kpt #: 168 total cpu time spent up to now is 65.0 secs Computing kpt #: 169 total cpu time spent up to now is 65.3 secs Computing kpt #: 170 total cpu time spent up to now is 65.7 secs Computing kpt #: 171 total cpu time spent up to now is 66.1 secs Computing kpt #: 172 total cpu time spent up to now is 66.5 secs Computing kpt #: 173 total cpu time spent up to now is 66.8 secs Computing kpt #: 174 total cpu time spent up to now is 67.2 secs Computing kpt #: 175 total cpu time spent up to now is 67.6 secs Computing kpt #: 176 total cpu time spent up to now is 67.9 secs Computing kpt #: 177 total cpu time spent up to now is 68.3 secs Computing kpt #: 178 total cpu time spent up to now is 68.7 secs Computing kpt #: 179 total cpu time spent up to now is 69.1 secs Computing kpt #: 180 total cpu time spent up to now is 69.4 secs Computing kpt #: 181 total cpu time spent up to now is 69.8 secs Computing kpt #: 182 total cpu time spent up to now is 70.5 secs Computing kpt #: 183 total cpu time spent up to now is 70.9 secs Computing kpt #: 184 total cpu time spent up to now is 71.3 secs Computing kpt #: 185 total cpu time spent up to now is 71.7 secs Computing kpt #: 186 total cpu time spent up to now is 72.0 secs Computing kpt #: 187 total cpu time spent up to now is 72.4 secs Computing kpt #: 188 total cpu time spent up to now is 72.8 secs Computing kpt #: 189 total cpu time spent up to now is 73.2 secs Computing kpt #: 190 total cpu time spent up to now is 73.6 secs Computing kpt #: 191 total cpu time spent up to now is 73.9 secs Computing kpt #: 192 total cpu time spent up to now is 74.3 secs Computing kpt #: 193 total cpu time spent up to now is 74.7 secs Computing kpt #: 194 total cpu time spent up to now is 75.2 secs Computing kpt #: 195 total cpu time spent up to now is 75.6 secs Computing kpt #: 196 total cpu time spent up to now is 76.0 secs Computing kpt #: 197 total cpu time spent up to now is 76.3 secs Computing kpt #: 198 total cpu time spent up to now is 76.7 secs Computing kpt #: 199 total cpu time spent up to now is 77.0 secs Computing kpt #: 200 total cpu time spent up to now is 77.4 secs Computing kpt #: 201 total cpu time spent up to now is 77.8 secs Computing kpt #: 202 total cpu time spent up to now is 78.2 secs Computing kpt #: 203 total cpu time spent up to now is 78.5 secs Computing kpt #: 204 total cpu time spent up to now is 78.9 secs Computing kpt #: 205 total cpu time spent up to now is 79.3 secs Computing kpt #: 206 total cpu time spent up to now is 79.7 secs Computing kpt #: 207 total cpu time spent up to now is 80.0 secs Computing kpt #: 208 total cpu time spent up to now is 80.4 secs Computing kpt #: 209 total cpu time spent up to now is 80.8 secs Computing kpt #: 210 total cpu time spent up to now is 81.2 secs Computing kpt #: 211 total cpu time spent up to now is 81.6 secs Computing kpt #: 212 total cpu time spent up to now is 82.0 secs Computing kpt #: 213 total cpu time spent up to now is 82.4 secs Computing kpt #: 214 total cpu time spent up to now is 83.0 secs Computing kpt #: 215 total cpu time spent up to now is 83.5 secs Computing kpt #: 216 total cpu time spent up to now is 84.0 secs Computing kpt #: 217 total cpu time spent up to now is 84.5 secs Computing kpt #: 218 total cpu time spent up to now is 85.0 secs Computing kpt #: 219 total cpu time spent up to now is 85.5 secs Computing kpt #: 220 total cpu time spent up to now is 86.1 secs Computing kpt #: 221 total cpu time spent up to now is 86.6 secs Computing kpt #: 222 total cpu time spent up to now is 87.1 secs Computing kpt #: 223 total cpu time spent up to now is 87.6 secs Computing kpt #: 224 total cpu time spent up to now is 88.1 secs Computing kpt #: 225 total cpu time spent up to now is 88.7 secs Computing kpt #: 226 total cpu time spent up to now is 89.2 secs Computing kpt #: 227 total cpu time spent up to now is 89.7 secs Computing kpt #: 228 total cpu time spent up to now is 90.2 secs Computing kpt #: 229 total cpu time spent up to now is 90.7 secs Computing kpt #: 230 total cpu time spent up to now is 91.2 secs Computing kpt #: 231 total cpu time spent up to now is 91.6 secs Computing kpt #: 232 total cpu time spent up to now is 92.1 secs Computing kpt #: 233 total cpu time spent up to now is 92.6 secs Computing kpt #: 234 total cpu time spent up to now is 93.1 secs Computing kpt #: 235 total cpu time spent up to now is 93.5 secs Computing kpt #: 236 total cpu time spent up to now is 94.0 secs Computing kpt #: 237 total cpu time spent up to now is 94.5 secs Computing kpt #: 238 total cpu time spent up to now is 94.9 secs Computing kpt #: 239 total cpu time spent up to now is 95.4 secs Computing kpt #: 240 total cpu time spent up to now is 95.8 secs Computing kpt #: 241 total cpu time spent up to now is 96.3 secs Computing kpt #: 242 total cpu time spent up to now is 96.7 secs Computing kpt #: 243 total cpu time spent up to now is 97.2 secs Computing kpt #: 244 total cpu time spent up to now is 97.6 secs Computing kpt #: 245 total cpu time spent up to now is 98.1 secs Computing kpt #: 246 total cpu time spent up to now is 98.6 secs Computing kpt #: 247 total cpu time spent up to now is 99.0 secs Computing kpt #: 248 total cpu time spent up to now is 99.5 secs Computing kpt #: 249 total cpu time spent up to now is 100.1 secs Computing kpt #: 250 total cpu time spent up to now is 100.6 secs Computing kpt #: 251 total cpu time spent up to now is 101.1 secs Computing kpt #: 252 total cpu time spent up to now is 101.7 secs Computing kpt #: 253 total cpu time spent up to now is 102.2 secs Computing kpt #: 254 total cpu time spent up to now is 102.8 secs Computing kpt #: 255 total cpu time spent up to now is 103.4 secs Computing kpt #: 256 total cpu time spent up to now is 103.9 secs Computing kpt #: 257 total cpu time spent up to now is 104.5 secs Computing kpt #: 258 total cpu time spent up to now is 105.5 secs Computing kpt #: 259 total cpu time spent up to now is 106.0 secs Computing kpt #: 260 total cpu time spent up to now is 106.5 secs Computing kpt #: 261 total cpu time spent up to now is 107.0 secs Computing kpt #: 262 total cpu time spent up to now is 107.5 secs Computing kpt #: 263 total cpu time spent up to now is 108.0 secs Computing kpt #: 264 total cpu time spent up to now is 108.4 secs Computing kpt #: 265 total cpu time spent up to now is 108.9 secs Computing kpt #: 266 total cpu time spent up to now is 109.3 secs Computing kpt #: 267 total cpu time spent up to now is 109.8 secs Computing kpt #: 268 total cpu time spent up to now is 110.2 secs Computing kpt #: 269 total cpu time spent up to now is 110.7 secs Computing kpt #: 270 total cpu time spent up to now is 111.1 secs Computing kpt #: 271 total cpu time spent up to now is 111.6 secs Computing kpt #: 272 total cpu time spent up to now is 112.0 secs Computing kpt #: 273 total cpu time spent up to now is 112.4 secs Computing kpt #: 274 total cpu time spent up to now is 112.9 secs Computing kpt #: 275 total cpu time spent up to now is 113.3 secs Computing kpt #: 276 total cpu time spent up to now is 113.7 secs Computing kpt #: 277 total cpu time spent up to now is 114.2 secs Computing kpt #: 278 total cpu time spent up to now is 114.6 secs Computing kpt #: 279 total cpu time spent up to now is 115.0 secs Computing kpt #: 280 total cpu time spent up to now is 115.6 secs Computing kpt #: 281 total cpu time spent up to now is 116.1 secs Computing kpt #: 282 total cpu time spent up to now is 116.5 secs Computing kpt #: 283 total cpu time spent up to now is 116.9 secs Computing kpt #: 284 total cpu time spent up to now is 117.5 secs Computing kpt #: 285 total cpu time spent up to now is 118.2 secs Computing kpt #: 286 total cpu time spent up to now is 118.6 secs Computing kpt #: 287 total cpu time spent up to now is 119.3 secs Computing kpt #: 288 total cpu time spent up to now is 119.8 secs Computing kpt #: 289 total cpu time spent up to now is 120.2 secs Computing kpt #: 290 total cpu time spent up to now is 120.7 secs Computing kpt #: 291 total cpu time spent up to now is 121.3 secs Computing kpt #: 292 total cpu time spent up to now is 122.0 secs Computing kpt #: 293 total cpu time spent up to now is 122.7 secs Computing kpt #: 294 total cpu time spent up to now is 123.1 secs Computing kpt #: 295 total cpu time spent up to now is 123.5 secs Computing kpt #: 296 total cpu time spent up to now is 123.9 secs Computing kpt #: 297 total cpu time spent up to now is 124.3 secs Computing kpt #: 298 total cpu time spent up to now is 124.7 secs Computing kpt #: 299 total cpu time spent up to now is 125.1 secs Computing kpt #: 300 total cpu time spent up to now is 125.5 secs Computing kpt #: 301 total cpu time spent up to now is 125.9 secs Computing kpt #: 302 total cpu time spent up to now is 126.2 secs Computing kpt #: 303 total cpu time spent up to now is 126.6 secs Computing kpt #: 304 total cpu time spent up to now is 127.0 secs Computing kpt #: 305 total cpu time spent up to now is 127.4 secs Computing kpt #: 306 total cpu time spent up to now is 127.8 secs Computing kpt #: 307 total cpu time spent up to now is 128.2 secs Computing kpt #: 308 total cpu time spent up to now is 128.6 secs Computing kpt #: 309 total cpu time spent up to now is 128.9 secs Computing kpt #: 310 total cpu time spent up to now is 129.3 secs Computing kpt #: 311 total cpu time spent up to now is 129.7 secs Computing kpt #: 312 total cpu time spent up to now is 130.0 secs Computing kpt #: 313 total cpu time spent up to now is 130.4 secs Computing kpt #: 314 total cpu time spent up to now is 130.8 secs Computing kpt #: 315 total cpu time spent up to now is 131.1 secs Computing kpt #: 316 total cpu time spent up to now is 131.4 secs Computing kpt #: 317 total cpu time spent up to now is 131.8 secs Computing kpt #: 318 total cpu time spent up to now is 132.1 secs Computing kpt #: 319 total cpu time spent up to now is 132.4 secs Computing kpt #: 320 total cpu time spent up to now is 132.8 secs Computing kpt #: 321 total cpu time spent up to now is 133.1 secs Computing kpt #: 322 total cpu time spent up to now is 133.4 secs Computing kpt #: 323 total cpu time spent up to now is 133.7 secs Computing kpt #: 324 total cpu time spent up to now is 134.1 secs Computing kpt #: 325 total cpu time spent up to now is 134.4 secs Computing kpt #: 326 total cpu time spent up to now is 134.7 secs Computing kpt #: 327 total cpu time spent up to now is 135.0 secs Computing kpt #: 328 total cpu time spent up to now is 135.4 secs Computing kpt #: 329 total cpu time spent up to now is 135.7 secs Computing kpt #: 330 total cpu time spent up to now is 136.0 secs Computing kpt #: 331 total cpu time spent up to now is 136.3 secs Computing kpt #: 332 total cpu time spent up to now is 136.6 secs Computing kpt #: 333 total cpu time spent up to now is 136.9 secs Computing kpt #: 334 total cpu time spent up to now is 137.2 secs Computing kpt #: 335 total cpu time spent up to now is 137.6 secs Computing kpt #: 336 total cpu time spent up to now is 137.9 secs Computing kpt #: 337 total cpu time spent up to now is 138.2 secs Computing kpt #: 338 total cpu time spent up to now is 138.5 secs Computing kpt #: 339 total cpu time spent up to now is 138.9 secs Computing kpt #: 340 total cpu time spent up to now is 139.2 secs Computing kpt #: 341 total cpu time spent up to now is 139.5 secs Computing kpt #: 342 total cpu time spent up to now is 139.9 secs Computing kpt #: 343 total cpu time spent up to now is 140.4 secs Computing kpt #: 344 total cpu time spent up to now is 140.7 secs Computing kpt #: 345 total cpu time spent up to now is 141.1 secs Computing kpt #: 346 total cpu time spent up to now is 141.4 secs Computing kpt #: 347 total cpu time spent up to now is 141.8 secs Computing kpt #: 348 total cpu time spent up to now is 142.1 secs Computing kpt #: 349 total cpu time spent up to now is 142.5 secs Computing kpt #: 350 total cpu time spent up to now is 142.9 secs Computing kpt #: 351 total cpu time spent up to now is 143.3 secs Computing kpt #: 352 total cpu time spent up to now is 143.7 secs Computing kpt #: 353 total cpu time spent up to now is 144.2 secs Computing kpt #: 354 total cpu time spent up to now is 144.8 secs Computing kpt #: 355 total cpu time spent up to now is 145.3 secs Computing kpt #: 356 total cpu time spent up to now is 145.8 secs Computing kpt #: 357 total cpu time spent up to now is 146.3 secs Computing kpt #: 358 total cpu time spent up to now is 146.8 secs Computing kpt #: 359 total cpu time spent up to now is 147.2 secs Computing kpt #: 360 total cpu time spent up to now is 147.7 secs Computing kpt #: 361 total cpu time spent up to now is 148.1 secs ethr = 2.08E-08, avg # of iterations = 17.8 total cpu time spent up to now is 148.1 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2101 PWs) bands (ev): 0.8913 0.8913 5.0081 5.0081 7.5735 7.5735 9.1475 9.1475 9.1589 9.1589 10.2813 10.2813 10.3259 10.3259 10.5527 10.5527 10.6841 10.6841 10.6994 10.6994 11.1347 11.1347 11.1589 11.1589 12.2190 12.2190 12.3247 12.3247 12.5117 12.5117 12.9213 12.9213 12.9277 12.9277 12.9740 12.9740 13.0223 13.0223 13.1201 13.1201 13.6486 13.6486 13.6834 13.6834 14.3458 14.3458 16.6884 16.6884 17.1633 17.1633 17.1756 17.1756 17.2877 17.2877 17.3339 17.3339 17.5685 17.5685 k = 0.0106 0.0061-0.0000 ( 2097 PWs) bands (ev): 0.8927 0.8927 5.0084 5.0084 7.5747 7.5747 9.1477 9.1477 9.1591 9.1591 10.2773 10.2773 10.3220 10.3220 10.5595 10.5595 10.6842 10.6842 10.6997 10.6997 11.1339 11.1339 11.1580 11.1580 12.2188 12.2188 12.3245 12.3245 12.5113 12.5113 12.9212 12.9212 12.9269 12.9269 12.9736 12.9736 13.0212 13.0212 13.1210 13.1210 13.6482 13.6482 13.6830 13.6830 14.3454 14.3454 16.6713 16.6713 17.0865 17.0865 17.1088 17.1088 17.3598 17.3598 17.4064 17.4064 17.5742 17.5742 k = 0.0213 0.0123-0.0000 ( 2101 PWs) bands (ev): 0.8971 0.8971 5.0093 5.0093 7.5781 7.5781 9.1477 9.1477 9.1601 9.1601 10.2623 10.2623 10.3156 10.3156 10.5775 10.5775 10.6843 10.6843 10.7006 10.7006 11.1310 11.1310 11.1557 11.1557 12.2183 12.2183 12.3237 12.3237 12.5101 12.5101 12.9211 12.9211 12.9246 12.9246 12.9722 12.9722 13.0180 13.0180 13.1233 13.1233 13.6471 13.6471 13.6818 13.6818 14.3437 14.3437 16.6164 16.6164 16.9636 16.9636 17.0211 17.0211 17.4499 17.4499 17.5225 17.5225 17.6019 17.6019 k = 0.0319 0.0184-0.0000 ( 2091 PWs) bands (ev): 0.9043 0.9043 5.0107 5.0107 7.5838 7.5838 9.1470 9.1470 9.1626 9.1626 10.2343 10.2343 10.3131 10.3131 10.6021 10.6021 10.6844 10.6844 10.7028 10.7028 11.1255 11.1255 11.1530 11.1530 12.2174 12.2174 12.3226 12.3226 12.5082 12.5082 12.9205 12.9205 12.9211 12.9211 12.9703 12.9703 13.0130 13.0130 13.1269 13.1269 13.6453 13.6453 13.6800 13.6800 14.3414 14.3414 16.5217 16.5217 16.8321 16.8321 16.9600 16.9600 17.4948 17.4948 17.6377 17.6377 17.6735 17.6735 k = 0.0426 0.0246-0.0000 ( 2087 PWs) bands (ev): 0.9143 0.9143 5.0127 5.0127 7.5918 7.5918 9.1450 9.1450 9.1670 9.1670 10.1970 10.1970 10.3142 10.3142 10.6292 10.6292 10.6843 10.6843 10.7069 10.7069 11.1163 11.1163 11.1508 11.1508 12.2162 12.2162 12.3211 12.3211 12.5054 12.5054 12.9151 12.9151 12.9206 12.9206 12.9679 12.9679 13.0062 13.0062 13.1313 13.1313 13.6425 13.6425 13.6773 13.6773 14.3380 14.3380 16.3971 16.3971 16.6982 16.6982 16.9221 16.9221 17.5067 17.5067 17.7419 17.7419 17.7714 17.7714 k = 0.0532 0.0307-0.0000 ( 2081 PWs) bands (ev): 0.9272 0.9272 5.0152 5.0152 7.6021 7.6021 9.1417 9.1417 9.1732 9.1732 10.1539 10.1539 10.3174 10.3174 10.6542 10.6542 10.6849 10.6849 10.7144 10.7144 11.1038 11.1038 11.1493 11.1493 12.2146 12.2146 12.3194 12.3194 12.5018 12.5018 12.9078 12.9078 12.9201 12.9201 12.9653 12.9653 12.9980 12.9980 13.1361 13.1361 13.6387 13.6387 13.6740 13.6740 14.3337 14.3337 16.2555 16.2555 16.5637 16.5637 16.8970 16.8970 17.5073 17.5073 17.8300 17.8300 17.8704 17.8704 k = 0.0638 0.0369-0.0000 ( 2081 PWs) bands (ev): 0.9430 0.9430 5.0181 5.0181 7.6146 7.6146 9.1369 9.1369 9.1810 9.1810 10.1065 10.1065 10.3221 10.3221 10.6686 10.6686 10.6906 10.6906 10.7284 10.7284 11.0882 11.0882 11.1483 11.1483 12.2125 12.2125 12.3171 12.3171 12.4973 12.4973 12.8991 12.8991 12.9194 12.9194 12.9627 12.9627 12.9886 12.9886 13.1410 13.1410 13.6339 13.6339 13.6704 13.6704 14.3284 14.3284 16.1059 16.1059 16.4294 16.4294 16.8773 16.8773 17.5033 17.5033 17.9000 17.9000 17.9601 17.9601 k = 0.0745 0.0430-0.0000 ( 2083 PWs) bands (ev): 0.9617 0.9617 5.0215 5.0215 7.6293 7.6293 9.1309 9.1309 9.1905 9.1905 10.0560 10.0560 10.3279 10.3279 10.6702 10.6702 10.7008 10.7008 10.7509 10.7509 11.0701 11.0701 11.1477 11.1477 12.2100 12.2100 12.3147 12.3147 12.4919 12.4919 12.8888 12.8888 12.9181 12.9181 12.9599 12.9599 12.9780 12.9780 13.1458 13.1458 13.6278 13.6278 13.6664 13.6664 14.3224 14.3224 15.9530 15.9530 16.2958 16.2958 16.8590 16.8590 17.4962 17.4962 17.9513 17.9513 18.0361 18.0361 k = 0.0851 0.0491-0.0000 ( 2083 PWs) bands (ev): 0.9831 0.9831 5.0253 5.0253 7.6463 7.6463 9.1234 9.1234 9.2015 9.2015 10.0029 10.0029 10.3348 10.3348 10.6676 10.6676 10.7099 10.7099 10.7786 10.7786 11.0503 11.0503 11.1471 11.1471 12.2068 12.2068 12.3121 12.3121 12.4855 12.4855 12.8771 12.8771 12.9167 12.9167 12.9573 12.9573 12.9664 12.9664 13.1502 13.1502 13.6206 13.6206 13.6622 13.6622 14.3155 14.3155 15.7996 15.7996 16.1631 16.1631 16.8399 16.8399 17.4867 17.4867 17.9839 17.9839 18.0969 18.0969 k = 0.0957 0.0553-0.0000 ( 2087 PWs) bands (ev): 1.0074 1.0074 5.0293 5.0293 7.6655 7.6655 9.1142 9.1142 9.2140 9.2140 9.9476 9.9476 10.3426 10.3426 10.6634 10.6634 10.7184 10.7184 10.8079 10.8079 11.0293 11.0293 11.1466 11.1466 12.2031 12.2031 12.3092 12.3092 12.4782 12.4782 12.8642 12.8642 12.9147 12.9147 12.9528 12.9528 12.9558 12.9558 13.1540 13.1540 13.6122 13.6122 13.6580 13.6580 14.3078 14.3078 15.6471 15.6471 16.0317 16.0317 16.8188 16.8188 17.4749 17.4749 17.9993 17.9993 18.1427 18.1427 k = 0.1064 0.0614-0.0000 ( 2091 PWs) bands (ev): 1.0345 1.0345 5.0336 5.0336 7.6869 7.6869 9.1030 9.1030 9.2280 9.2280 9.8904 9.8904 10.3515 10.3515 10.6582 10.6582 10.7269 10.7269 10.8372 10.8372 11.0080 11.0080 11.1462 11.1462 12.1988 12.1988 12.3065 12.3065 12.4697 12.4697 12.8500 12.8500 12.9122 12.9122 12.9405 12.9405 12.9527 12.9527 13.1572 13.1572 13.6026 13.6026 13.6539 13.6539 14.2993 14.2993 15.4966 15.4966 15.9016 15.9016 16.7946 16.7946 17.4606 17.4606 18.0001 18.0001 18.1753 18.1753 k = 0.1170 0.0676-0.0000 ( 2085 PWs) bands (ev): 1.0644 1.0644 5.0380 5.0380 7.7105 7.7105 9.0896 9.0896 9.2435 9.2435 9.8321 9.8321 10.3614 10.3614 10.6525 10.6525 10.7360 10.7360 10.8648 10.8648 10.9881 10.9881 11.1458 11.1458 12.1938 12.1938 12.3039 12.3039 12.4602 12.4602 12.8345 12.8345 12.9089 12.9089 12.9275 12.9275 12.9503 12.9503 13.1596 13.1596 13.5919 13.5919 13.6497 13.6497 14.2901 14.2901 15.3488 15.3488 15.7731 15.7731 16.7667 16.7667 17.4438 17.4438 17.9892 17.9892 18.1966 18.1966 k = 0.1277 0.0737-0.0000 ( 2085 PWs) bands (ev): 1.0971 1.0971 5.0424 5.0424 7.7362 7.7362 9.0732 9.0732 9.2603 9.2603 9.7730 9.7730 10.3721 10.3721 10.6457 10.6457 10.7456 10.7456 10.8879 10.8879 10.9723 10.9723 11.1453 11.1453 12.1881 12.1881 12.3013 12.3013 12.4496 12.4496 12.8177 12.8177 12.9039 12.9039 12.9153 12.9153 12.9480 12.9480 13.1611 13.1611 13.5803 13.5803 13.6456 13.6456 14.2802 14.2802 15.2041 15.2041 15.6461 15.6461 16.7345 16.7345 17.4244 17.4244 17.9697 17.9697 18.2089 18.2089 k = 0.1383 0.0798-0.0000 ( 2081 PWs) bands (ev): 1.1325 1.1325 5.0467 5.0467 7.7641 7.7641 9.0531 9.0531 9.2787 9.2787 9.7139 9.7139 10.3837 10.3837 10.6381 10.6381 10.7558 10.7558 10.8984 10.8984 10.9691 10.9691 11.1448 11.1448 12.1819 12.1819 12.2990 12.2990 12.4378 12.4378 12.7995 12.7995 12.8951 12.8951 12.9064 12.9064 12.9456 12.9456 13.1618 13.1618 13.5678 13.5678 13.6415 13.6415 14.2697 14.2697 15.0629 15.0629 15.5209 15.5209 16.6979 16.6979 17.4020 17.4020 17.9441 17.9441 18.2141 18.2141 k = 0.1489 0.0860-0.0000 ( 2081 PWs) bands (ev): 1.1707 1.1707 5.0508 5.0508 7.7940 7.7940 9.0285 9.0285 9.2984 9.2984 9.6559 9.6559 10.3962 10.3962 10.6297 10.6297 10.7667 10.7667 10.8916 10.8916 10.9837 10.9837 11.1442 11.1442 12.1747 12.1747 12.2969 12.2969 12.4247 12.4247 12.7797 12.7797 12.8831 12.8831 12.9004 12.9004 12.9433 12.9433 13.1614 13.1614 13.5545 13.5545 13.6375 13.6375 14.2584 14.2584 14.9253 14.9253 15.3974 15.3974 16.6564 16.6564 17.3767 17.3767 17.9148 17.9148 18.2139 18.2139 k = 0.1596 0.0921-0.0000 ( 2081 PWs) bands (ev): 1.2116 1.2116 5.0545 5.0545 7.8260 7.8260 8.9985 8.9985 9.3195 9.3195 9.6003 9.6003 10.4095 10.4095 10.6205 10.6205 10.7783 10.7783 10.8764 10.8764 11.0074 11.0074 11.1434 11.1434 12.1669 12.1669 12.2950 12.2950 12.4103 12.4103 12.7582 12.7582 12.8704 12.8704 12.8946 12.8946 12.9408 12.9408 13.1599 13.1599 13.5408 13.5408 13.6335 13.6335 14.2465 14.2465 14.7917 14.7917 15.2758 15.2758 16.6101 16.6101 17.3482 17.3482 17.8836 17.8836 18.2094 18.2094 k = 0.1702 0.0983-0.0000 ( 2081 PWs) bands (ev): 1.2551 1.2551 5.0577 5.0577 7.8601 7.8601 8.9618 8.9618 9.3419 9.3419 9.5482 9.5482 10.4236 10.4236 10.6103 10.6103 10.7904 10.7904 10.8594 10.8594 11.0339 11.0339 11.1426 11.1426 12.1583 12.1583 12.2933 12.2933 12.3948 12.3948 12.7352 12.7352 12.8579 12.8579 12.8886 12.8886 12.9381 12.9381 13.1573 13.1573 13.5265 13.5265 13.6297 13.6297 14.2340 14.2340 14.6622 14.6622 15.1560 15.1560 16.5590 16.5590 17.3164 17.3164 17.8517 17.8517 18.2019 18.2019 k = 0.1809 0.1044-0.0000 ( 2079 PWs) bands (ev): 1.3014 1.3014 5.0603 5.0603 7.8961 7.8961 8.9175 8.9175 9.3658 9.3658 9.5012 9.5012 10.4385 10.4385 10.5993 10.5993 10.8033 10.8033 10.8430 10.8430 11.0611 11.0611 11.1417 11.1417 12.1489 12.1489 12.2918 12.2918 12.3780 12.3780 12.7107 12.7107 12.8457 12.8457 12.8820 12.8820 12.9353 12.9353 13.1535 13.1535 13.5119 13.5119 13.6259 13.6259 14.2207 14.2207 14.5370 14.5370 15.0383 15.0383 16.5034 16.5034 17.2813 17.2813 17.8202 17.8202 18.1919 18.1919 k = 0.1915 0.1106-0.0000 ( 2079 PWs) bands (ev): 1.3502 1.3502 5.0620 5.0620 7.9341 7.9341 8.8651 8.8651 9.3908 9.3908 9.4602 9.4602 10.4541 10.4541 10.5873 10.5873 10.8152 10.8152 10.8291 10.8291 11.0885 11.0885 11.1406 11.1406 12.1389 12.1389 12.2905 12.2905 12.3600 12.3600 12.6847 12.6847 12.8338 12.8338 12.8748 12.8748 12.9321 12.9321 13.1485 13.1485 13.4973 13.4973 13.6223 13.6223 14.2067 14.2067 14.4164 14.4164 14.9226 14.9226 16.4436 16.4436 17.2428 17.2428 17.7899 17.7899 18.1801 18.1801 k = 0.2021 0.1167-0.0000 ( 2079 PWs) bands (ev): 1.4016 1.4016 5.0627 5.0627 7.9739 7.9739 8.8045 8.8045 9.4166 9.4166 9.4263 9.4263 10.4704 10.4704 10.5744 10.5744 10.8111 10.8111 10.8332 10.8332 11.1154 11.1154 11.1398 11.1398 12.1282 12.1282 12.2890 12.2890 12.3409 12.3409 12.6575 12.6575 12.8220 12.8220 12.8671 12.8671 12.9287 12.9287 13.1423 13.1423 13.4828 13.4828 13.6189 13.6189 14.1914 14.1914 14.3008 14.3008 14.8090 14.8090 16.3801 16.3801 17.2012 17.2012 17.7612 17.7612 18.1670 18.1670 k = 0.2128 0.1228-0.0000 ( 2079 PWs) bands (ev): 1.4555 1.4555 5.0622 5.0622 8.0157 8.0157 8.7361 8.7361 9.3974 9.3974 9.4451 9.4451 10.4872 10.4872 10.5604 10.5604 10.7992 10.7992 10.8473 10.8473 11.1345 11.1345 11.1463 11.1463 12.1168 12.1168 12.2870 12.2870 12.3212 12.3212 12.6292 12.6292 12.8103 12.8103 12.8589 12.8589 12.9250 12.9250 13.1346 13.1346 13.4685 13.4685 13.6156 13.6156 14.1684 14.1684 14.1972 14.1972 14.6976 14.6976 16.3134 16.3134 17.1564 17.1564 17.7344 17.7344 18.1531 18.1531 k = 0.2234 0.1290-0.0000 ( 2075 PWs) bands (ev): 1.5120 1.5120 5.0602 5.0602 8.0591 8.0591 8.6612 8.6612 9.3757 9.3757 9.4739 9.4739 10.5045 10.5045 10.5456 10.5456 10.7883 10.7883 10.8626 10.8626 11.1346 11.1346 11.1715 11.1715 12.1049 12.1049 12.2820 12.2820 12.3033 12.3033 12.5999 12.5999 12.7985 12.7985 12.8504 12.8504 12.9210 12.9210 13.1255 13.1255 13.4545 13.4545 13.6125 13.6125 14.0788 14.0788 14.1646 14.1646 14.5884 14.5884 16.2442 16.2442 17.1087 17.1087 17.7097 17.7097 18.1385 18.1385 k = 0.2340 0.1351-0.0000 ( 2069 PWs) bands (ev): 1.5709 1.5709 5.0565 5.0565 8.1043 8.1043 8.5809 8.5809 9.3594 9.3594 9.5040 9.5040 10.5204 10.5204 10.5313 10.5313 10.7786 10.7786 10.8785 10.8785 11.1328 11.1328 11.1982 11.1982 12.0924 12.0924 12.2673 12.2673 12.2938 12.2938 12.5698 12.5698 12.7864 12.7864 12.8414 12.8414 12.9165 12.9165 13.1150 13.1150 13.4412 13.4412 13.6095 13.6095 13.9788 13.9788 14.1471 14.1471 14.4815 14.4815 16.1730 16.1730 17.0584 17.0584 17.6869 17.6869 18.1235 18.1235 k = 0.2447 0.1413-0.0000 ( 2065 PWs) bands (ev): 1.6322 1.6322 5.0509 5.0509 8.1511 8.1511 8.4964 8.4964 9.3480 9.3480 9.5352 9.5352 10.5108 10.5108 10.5420 10.5420 10.7703 10.7703 10.8950 10.8950 11.1306 11.1306 11.2246 11.2246 12.0794 12.0794 12.2451 12.2451 12.2904 12.2904 12.5392 12.5392 12.7739 12.7739 12.8324 12.8324 12.9118 12.9118 13.1029 13.1029 13.4280 13.4280 13.6068 13.6068 13.8836 13.8836 14.1297 14.1297 14.3770 14.3770 16.1006 16.1006 17.0059 17.0059 17.6662 17.6662 18.1084 18.1084 k = 0.2553 0.1474-0.0000 ( 2065 PWs) bands (ev): 1.6958 1.6958 5.0432 5.0432 8.1992 8.1992 8.4093 8.4093 9.3411 9.3411 9.5675 9.5675 10.4926 10.4926 10.5603 10.5603 10.7628 10.7628 10.9119 10.9119 11.1280 11.1280 11.2507 11.2507 12.0659 12.0659 12.2202 12.2202 12.2881 12.2881 12.5080 12.5080 12.7608 12.7608 12.8233 12.8233 12.9067 12.9067 13.0892 13.0892 13.4153 13.4153 13.6040 13.6040 13.7943 13.7943 14.1116 14.1116 14.2750 14.2750 16.0274 16.0274 16.9516 16.9516 17.6472 17.6472 18.0934 18.0934 k = 0.2660 0.1536-0.0000 ( 2069 PWs) bands (ev): 1.7617 1.7617 5.0329 5.0329 8.2468 8.2468 8.3222 8.3222 9.3380 9.3380 9.6009 9.6009 10.4729 10.4729 10.5789 10.5789 10.7558 10.7558 10.9294 10.9294 11.1252 11.1252 11.2765 11.2765 12.0519 12.0519 12.1939 12.1939 12.2857 12.2857 12.4766 12.4766 12.7470 12.7470 12.8144 12.8144 12.9012 12.9012 13.0738 13.0738 13.4031 13.4031 13.6011 13.6011 13.7116 13.7116 14.0928 14.0928 14.1756 14.1756 15.9542 15.9542 16.8959 16.8959 17.6301 17.6301 18.0784 18.0784 k = 0.2766 0.1597-0.0000 ( 2073 PWs) bands (ev): 1.8297 1.8297 5.0200 5.0200 8.2245 8.2245 8.3058 8.3058 9.3387 9.3387 9.6353 9.6353 10.4517 10.4517 10.5976 10.5976 10.7491 10.7491 10.9472 10.9472 11.1222 11.1222 11.3019 11.3019 12.0374 12.0374 12.1666 12.1666 12.2825 12.2825 12.4451 12.4451 12.7324 12.7324 12.8060 12.8060 12.8954 12.8954 13.0567 13.0567 13.3910 13.3910 13.5963 13.5963 13.6378 13.6378 14.0705 14.0705 14.0816 14.0816 15.8815 15.8815 16.8393 16.8393 17.6145 17.6145 18.0638 18.0638 k = 0.2872 0.1658-0.0000 ( 2071 PWs) bands (ev): 1.8999 1.8999 5.0041 5.0041 8.1364 8.1364 8.3566 8.3566 9.3429 9.3429 9.6708 9.6708 10.4292 10.4292 10.6160 10.6160 10.7426 10.7426 10.9655 10.9655 11.1190 11.1190 11.3269 11.3269 12.0226 12.0226 12.1385 12.1385 12.2785 12.2785 12.4139 12.4139 12.7170 12.7170 12.7983 12.7983 12.8894 12.8894 13.0380 13.0380 13.3787 13.3787 13.5610 13.5610 13.6020 13.6020 13.9840 13.9840 14.0540 14.0540 15.8098 15.8098 16.7823 16.7823 17.6004 17.6004 18.0495 18.0495 k = 0.2979 0.1720-0.0000 ( 2059 PWs) bands (ev): 1.9721 1.9721 4.9851 4.9851 8.0475 8.0475 8.4104 8.4104 9.3505 9.3505 9.7075 9.7075 10.4055 10.4055 10.6341 10.6341 10.7355 10.7355 10.9843 10.9843 11.1159 11.1159 11.3517 11.3517 12.0075 12.0075 12.1101 12.1101 12.2732 12.2732 12.3831 12.3831 12.7007 12.7007 12.7916 12.7916 12.8831 12.8831 13.0178 13.0178 13.3654 13.3654 13.5031 13.5031 13.5973 13.5973 13.8934 13.8934 14.0331 14.0331 15.7396 15.7396 16.7253 16.7253 17.5876 17.5876 18.0356 18.0356 k = 0.3085 0.1781-0.0000 ( 2059 PWs) bands (ev): 2.0462 2.0462 4.9625 4.9625 7.9599 7.9599 8.4657 8.4657 9.3613 9.3613 9.7447 9.7447 10.3802 10.3802 10.6514 10.6514 10.7273 10.7273 11.0030 11.0030 11.1125 11.1125 11.3759 11.3759 11.9919 11.9919 12.0815 12.0815 12.2664 12.2664 12.3527 12.3527 12.6832 12.6832 12.7861 12.7861 12.8765 12.8765 12.9964 12.9964 13.3494 13.3494 13.4532 13.4532 13.5938 13.5938 13.8063 13.8063 14.0115 14.0115 15.6712 15.6712 16.6689 16.6689 17.5761 17.5761 18.0223 18.0223 k = 0.3191 0.1843-0.0000 ( 2059 PWs) bands (ev): 2.1222 2.1222 4.9363 4.9363 7.8745 7.8745 8.5222 8.5222 9.3752 9.3752 9.7827 9.7827 10.3534 10.3534 10.6676 10.6676 10.7176 10.7176 11.0220 11.0220 11.1094 11.1094 11.3996 11.3996 11.9760 11.9760 12.0533 12.0533 12.2578 12.2578 12.3235 12.3235 12.6647 12.6647 12.7822 12.7822 12.8698 12.8698 12.9740 12.9740 13.3283 13.3283 13.4152 13.4152 13.5886 13.5886 13.7244 13.7244 13.9894 13.9894 15.6051 15.6051 16.6134 16.6134 17.5656 17.5656 18.0095 18.0095 k = 0.3298 0.1904-0.0000 ( 2057 PWs) bands (ev): 2.1997 2.1997 4.9062 4.9062 7.7921 7.7921 8.5796 8.5796 9.3923 9.3923 9.8215 9.8215 10.3252 10.3252 10.6821 10.6821 10.7061 10.7061 11.0411 11.0411 11.1066 11.1066 11.4228 11.4228 11.9599 11.9599 12.0259 12.0259 12.2470 12.2470 12.2957 12.2957 12.6450 12.6450 12.7803 12.7803 12.8631 12.8631 12.9509 12.9509 13.3012 13.3012 13.3895 13.3895 13.5748 13.5748 13.6545 13.6545 13.9668 13.9668 15.5417 15.5417 16.5594 16.5594 17.5561 17.5561 17.9973 17.9973 k = 0.3404 0.1965-0.0000 ( 2053 PWs) bands (ev): 2.2788 2.2788 4.8720 4.8720 7.7131 7.7131 8.6380 8.6380 9.4126 9.4126 9.8609 9.8609 10.2953 10.2953 10.6879 10.6879 10.6988 10.6988 11.0602 11.0602 11.1044 11.1044 11.4454 11.4454 11.9435 11.9435 11.9997 11.9997 12.2339 12.2339 12.2700 12.2700 12.6245 12.6245 12.7804 12.7804 12.8564 12.8564 12.9279 12.9279 13.2712 13.2712 13.3726 13.3726 13.5314 13.5314 13.6177 13.6177 13.9438 13.9438 15.4811 15.4811 16.5072 16.5072 17.5476 17.5476 17.9858 17.9858 k = 0.3511 0.2027-0.0000 ( 2057 PWs) bands (ev): 2.3593 2.3593 4.8338 4.8338 7.6380 7.6380 8.6970 8.6970 9.4358 9.4358 9.9009 9.9009 10.2639 10.2639 10.6721 10.6721 10.7076 10.7076 11.0788 11.0788 11.1033 11.1033 11.4673 11.4673 11.9269 11.9269 11.9751 11.9751 12.2178 12.2178 12.2471 12.2471 12.6032 12.6032 12.7822 12.7822 12.8499 12.8499 12.9050 12.9050 13.2415 13.2415 13.3600 13.3600 13.4655 13.4655 13.6074 13.6074 13.9204 13.9204 15.4237 15.4237 16.4571 16.4571 17.5399 17.5399 17.9749 17.9749 k = 0.3617 0.2088-0.0000 ( 2057 PWs) bands (ev): 2.4408 2.4408 4.7915 4.7915 7.5674 7.5674 8.7567 8.7567 9.4620 9.4620 9.9413 9.9413 10.2308 10.2308 10.6511 10.6511 10.7153 10.7153 11.0946 11.0946 11.1060 11.1060 11.4886 11.4886 11.9103 11.9103 11.9526 11.9526 12.1990 12.1990 12.2273 12.2273 12.5817 12.5817 12.7861 12.7861 12.8436 12.8436 12.8827 12.8827 13.2139 13.2139 13.3490 13.3490 13.3975 13.3975 13.6036 13.6036 13.8970 13.8970 15.3696 15.3696 16.4095 16.4095 17.5330 17.5330 17.9648 17.9648 k = 0.3723 0.2150-0.0000 ( 2057 PWs) bands (ev): 2.5232 2.5232 4.7452 4.7452 7.5015 7.5015 8.8167 8.8167 9.4911 9.4911 9.9821 9.9821 10.1963 10.1963 10.6261 10.6261 10.7200 10.7200 11.1002 11.1002 11.1199 11.1199 11.5093 11.5093 11.8937 11.8937 11.9324 11.9324 12.1790 12.1790 12.2096 12.2096 12.5604 12.5604 12.7907 12.7907 12.8378 12.8378 12.8620 12.8620 13.1885 13.1885 13.3252 13.3252 13.3459 13.3459 13.6018 13.6018 13.8736 13.8736 15.3192 15.3192 16.3647 16.3647 17.5268 17.5268 17.9553 17.9553 k = 0.3830 0.2211-0.0000 ( 2065 PWs) bands (ev): 2.6062 2.6062 4.6950 4.6950 7.4406 7.4406 8.8769 8.8769 9.5231 9.5231 10.0231 10.0231 10.1602 10.1602 10.5971 10.5971 10.7210 10.7210 11.1030 11.1030 11.1376 11.1376 11.5291 11.5291 11.8773 11.8773 11.9144 11.9144 12.1590 12.1590 12.1930 12.1930 12.5398 12.5398 12.7937 12.7937 12.8321 12.8321 12.8452 12.8452 13.1644 13.1644 13.2670 13.2670 13.3335 13.3335 13.6005 13.6005 13.8507 13.8507 15.2724 15.2724 16.3229 16.3229 17.5212 17.5212 17.9466 17.9466 k = 0.3936 0.2273-0.0000 ( 2065 PWs) bands (ev): 2.6894 2.6894 4.6414 4.6414 7.3850 7.3850 8.9371 8.9371 9.5577 9.5577 10.0638 10.0638 10.1231 10.1231 10.5642 10.5642 10.7181 10.7181 11.1067 11.1067 11.1554 11.1554 11.5483 11.5483 11.8614 11.8614 11.8988 11.8988 12.1405 12.1405 12.1769 12.1769 12.5203 12.5203 12.7900 12.7900 12.8239 12.8239 12.8403 12.8403 13.1399 13.1399 13.2131 13.2131 13.3241 13.3241 13.5999 13.5999 13.8284 13.8284 15.2295 15.2295 16.2842 16.2842 17.5163 17.5163 17.9386 17.9386 k = 0.4043 0.2334-0.0000 ( 2066 PWs) bands (ev): 2.7723 2.7723 4.5847 4.5847 7.3348 7.3348 8.9971 8.9971 9.5949 9.5949 10.0806 10.0806 10.1086 10.1086 10.5274 10.5274 10.7112 10.7112 11.1116 11.1116 11.1726 11.1726 11.5668 11.5668 11.8462 11.8462 11.8853 11.8853 12.1236 12.1236 12.1614 12.1614 12.5025 12.5025 12.7772 12.7772 12.8165 12.8165 12.8459 12.8459 13.1104 13.1104 13.1709 13.1709 13.3147 13.3147 13.5995 13.5995 13.8071 13.8071 15.1905 15.1905 16.2489 16.2489 17.5120 17.5120 17.9313 17.9313 k = 0.4149 0.2395-0.0000 ( 2058 PWs) bands (ev): 2.8544 2.8544 4.5256 4.5256 7.2900 7.2900 9.0564 9.0564 9.6345 9.6345 10.0424 10.0424 10.1478 10.1478 10.4874 10.4874 10.7004 10.7004 11.1176 11.1176 11.1891 11.1891 11.5845 11.5845 11.8318 11.8318 11.8738 11.8738 12.1088 12.1088 12.1469 12.1469 12.4867 12.4867 12.7597 12.7597 12.8110 12.8110 12.8564 12.8564 13.0732 13.0732 13.1437 13.1437 13.3050 13.3050 13.5993 13.5993 13.7871 13.7871 15.1556 15.1556 16.2171 16.2171 17.5082 17.5082 17.9248 17.9248 k = 0.4255 0.2457-0.0000 ( 2054 PWs) bands (ev): 2.9348 2.9348 4.4650 4.4650 7.2507 7.2507 9.1147 9.1147 9.6760 9.6760 10.0017 10.0017 10.1881 10.1881 10.4444 10.4444 10.6859 10.6859 11.1244 11.1244 11.2045 11.2045 11.6012 11.6012 11.8184 11.8184 11.8639 11.8639 12.0961 12.0961 12.1330 12.1330 12.4731 12.4731 12.7410 12.7410 12.8062 12.8062 12.8682 12.8682 13.0340 13.0340 13.1266 13.1266 13.2949 13.2949 13.5991 13.5991 13.7686 13.7686 15.1247 15.1247 16.1889 16.1889 17.5049 17.5049 17.9191 17.9191 k = 0.4362 0.2518-0.0000 ( 2054 PWs) bands (ev): 3.0125 3.0125 4.4041 4.4041 7.2168 7.2168 9.1715 9.1715 9.7191 9.7191 9.9605 9.9605 10.2277 10.2277 10.3992 10.3992 10.6682 10.6682 11.1315 11.1315 11.2186 11.2186 11.6168 11.6168 11.8060 11.8060 11.8553 11.8553 12.0854 12.0854 12.1204 12.1204 12.4617 12.4617 12.7227 12.7227 12.8021 12.8021 12.8792 12.8792 12.9988 12.9988 13.1144 13.1144 13.2843 13.2843 13.5991 13.5991 13.7520 13.7520 15.0979 15.0979 16.1643 16.1643 17.5022 17.5022 17.9141 17.9141 k = 0.4468 0.2580-0.0000 ( 2054 PWs) bands (ev): 3.0861 3.0861 4.3445 4.3445 7.1883 7.1883 9.2259 9.2259 9.7630 9.7630 9.9198 9.9198 10.2653 10.2653 10.3535 10.3535 10.6476 10.6476 11.1382 11.1382 11.2312 11.2312 11.6312 11.6312 11.7949 11.7949 11.8479 11.8479 12.0769 12.0769 12.1092 12.1092 12.4528 12.4528 12.7055 12.7055 12.7982 12.7982 12.8863 12.8863 12.9719 12.9719 13.1053 13.1053 13.2737 13.2737 13.5990 13.5990 13.7375 13.7375 15.0752 15.0752 16.1435 16.1435 17.4998 17.4998 17.9099 17.9099 k = 0.4574 0.2641-0.0000 ( 2054 PWs) bands (ev): 3.1535 3.1535 4.2882 4.2882 7.1651 7.1651 9.2769 9.2769 9.8056 9.8056 9.8820 9.8820 10.2883 10.2883 10.3204 10.3204 10.6250 10.6250 11.1444 11.1444 11.2420 11.2420 11.6441 11.6441 11.7853 11.7853 11.8415 11.8415 12.0704 12.0704 12.0997 12.0997 12.4460 12.4460 12.6902 12.6902 12.7948 12.7948 12.8854 12.8854 12.9577 12.9577 13.0987 13.0987 13.2635 13.2635 13.5990 13.5990 13.7254 13.7254 15.0566 15.0566 16.1264 16.1264 17.4980 17.4980 17.9064 17.9064 k = 0.4681 0.2702-0.0000 ( 2056 PWs) bands (ev): 3.2121 3.2121 4.2381 4.2381 7.1472 7.1472 9.3225 9.3225 9.8275 9.8275 9.8670 9.8670 10.2535 10.2535 10.3439 10.3439 10.6013 10.6013 11.1494 11.1494 11.2505 11.2505 11.6551 11.6551 11.7775 11.7775 11.8362 11.8362 12.0655 12.0655 12.0921 12.0921 12.4413 12.4413 12.6773 12.6773 12.7919 12.7919 12.8767 12.8767 12.9558 12.9558 13.0941 13.0941 13.2542 13.2542 13.5988 13.5988 13.7158 13.7158 15.0421 15.0421 16.1131 16.1131 17.4965 17.4965 17.9037 17.9037 k = 0.4787 0.2764-0.0000 ( 2060 PWs) bands (ev): 3.2584 3.2584 4.1977 4.1977 7.1344 7.1344 9.3602 9.3602 9.8046 9.8046 9.8986 9.8986 10.2127 10.2127 10.3734 10.3734 10.5786 10.5786 11.1534 11.1534 11.2570 11.2570 11.6634 11.6634 11.7717 11.7717 11.8318 11.8318 12.0621 12.0621 12.0863 12.0863 12.4383 12.4383 12.6676 12.6676 12.7896 12.7896 12.8663 12.8663 12.9591 12.9591 13.0911 13.0911 13.2466 13.2466 13.5987 13.5987 13.7089 13.7089 15.0318 15.0318 16.1036 16.1036 17.4955 17.4955 17.9018 17.9018 k = 0.4894 0.2825-0.0000 ( 2058 PWs) bands (ev): 3.2885 3.2885 4.1712 4.1712 7.1268 7.1268 9.3858 9.3858 9.7840 9.7840 9.9284 9.9284 10.1808 10.1808 10.3959 10.3959 10.5605 10.5605 11.1559 11.1559 11.2609 11.2609 11.6687 11.6687 11.7682 11.7682 11.8291 11.8291 12.0603 12.0603 12.0829 12.0829 12.4367 12.4367 12.6615 12.6615 12.7881 12.7881 12.8590 12.8590 12.9626 12.9626 13.0895 13.0895 13.2416 13.2416 13.5987 13.5987 13.7047 13.7047 15.0256 15.0256 16.0979 16.0979 17.4949 17.4949 17.9007 17.9007 k = 0.5000 0.2887-0.0000 ( 2062 PWs) bands (ev): 3.2990 3.2990 4.1619 4.1619 7.1243 7.1243 9.3950 9.3950 9.7763 9.7763 9.9405 9.9405 10.1681 10.1681 10.4048 10.4048 10.5531 10.5531 11.1568 11.1568 11.2621 11.2621 11.6705 11.6705 11.7670 11.7670 11.8282 11.8282 12.0596 12.0596 12.0817 12.0817 12.4362 12.4362 12.6594 12.6594 12.7875 12.7875 12.8564 12.8564 12.9640 12.9640 13.0890 13.0890 13.2397 13.2397 13.5987 13.5987 13.7033 13.7033 15.0235 15.0235 16.0960 16.0960 17.4947 17.4947 17.9003 17.9003 k = 0.5000 0.2887-0.0000 ( 2062 PWs) bands (ev): 3.2990 3.2990 4.1619 4.1619 7.1243 7.1243 9.3950 9.3950 9.7763 9.7763 9.9405 9.9405 10.1681 10.1681 10.4048 10.4048 10.5531 10.5531 11.1568 11.1568 11.2621 11.2621 11.6705 11.6705 11.7670 11.7670 11.8282 11.8282 12.0596 12.0596 12.0817 12.0817 12.4362 12.4362 12.6594 12.6594 12.7875 12.7875 12.8564 12.8564 12.9640 12.9640 13.0890 13.0890 13.2397 13.2397 13.5987 13.5987 13.7033 13.7033 15.0235 15.0235 16.0960 16.0960 17.4947 17.4947 17.9003 17.9003 k = 0.4938 0.2994-0.0000 ( 2054 PWs) bands (ev): 3.3001 3.3001 4.1624 4.1624 7.1248 7.1248 9.3962 9.3962 9.7765 9.7765 9.9356 9.9356 10.1428 10.1428 10.4268 10.4268 10.5581 10.5581 11.1575 11.1575 11.2602 11.2602 11.6707 11.6707 11.7676 11.7676 11.8284 11.8284 12.0584 12.0584 12.0823 12.0823 12.4362 12.4362 12.6587 12.6587 12.7871 12.7871 12.8564 12.8564 12.9640 12.9640 13.0884 13.0884 13.2379 13.2379 13.6026 13.6026 13.7034 13.7034 15.0245 15.0245 16.0936 16.0936 17.5029 17.5029 17.8835 17.8835 k = 0.4877 0.3101-0.0000 ( 2054 PWs) bands (ev): 3.3033 3.3033 4.1638 4.1638 7.1263 7.1263 9.3997 9.3997 9.7770 9.7770 9.9215 9.9215 10.0833 10.0833 10.4761 10.4761 10.5723 10.5723 11.1598 11.1598 11.2537 11.2537 11.6713 11.6713 11.7694 11.7694 11.8290 11.8290 12.0549 12.0549 12.0841 12.0841 12.4360 12.4360 12.6568 12.6568 12.7854 12.7854 12.8562 12.8562 12.9641 12.9641 13.0864 13.0864 13.2323 13.2323 13.6135 13.6135 13.7034 13.7034 15.0273 15.0273 16.0867 16.0867 17.5273 17.5273 17.8349 17.8349 k = 0.4815 0.3208-0.0000 ( 2052 PWs) bands (ev): 3.3086 3.3086 4.1661 4.1661 7.1288 7.1288 9.4055 9.4055 9.7777 9.7777 9.8994 9.8994 10.0088 10.0088 10.5339 10.5339 10.5948 10.5948 11.1635 11.1635 11.2431 11.2431 11.6723 11.6723 11.7725 11.7725 11.8299 11.8299 12.0493 12.0493 12.0868 12.0868 12.4357 12.4357 12.6535 12.6535 12.7824 12.7824 12.8559 12.8559 12.9644 12.9644 13.0830 13.0830 13.2239 13.2239 13.6306 13.6306 13.7036 13.7036 15.0320 15.0320 16.0752 16.0752 17.5677 17.5677 17.7594 17.7594 k = 0.4753 0.3314-0.0000 ( 2052 PWs) bands (ev): 3.3161 3.3161 4.1693 4.1693 7.1320 7.1320 9.4136 9.4136 9.7779 9.7779 9.8708 9.8708 9.9279 9.9279 10.5925 10.5925 10.6239 10.6239 11.1687 11.1687 11.2286 11.2286 11.6735 11.6735 11.7765 11.7765 11.8312 11.8312 12.0421 12.0421 12.0901 12.0901 12.4353 12.4353 12.6492 12.6492 12.7780 12.7780 12.8553 12.8553 12.9649 12.9649 13.0784 13.0784 13.2135 13.2135 13.6528 13.6528 13.7042 13.7042 15.0383 15.0383 16.0590 16.0590 17.6219 17.6219 17.6649 17.6649 k = 0.4691 0.3421-0.0000 ( 2052 PWs) bands (ev): 3.3257 3.3257 4.1732 4.1732 7.1360 7.1360 9.4240 9.4240 9.7747 9.7747 9.8345 9.8345 9.8494 9.8494 10.6483 10.6483 10.6591 10.6591 11.1746 11.1746 11.2109 11.2109 11.6750 11.6750 11.7817 11.7817 11.8328 11.8328 12.0337 12.0337 12.0938 12.0938 12.4347 12.4347 12.6438 12.6438 12.7721 12.7721 12.8544 12.8544 12.9658 12.9658 13.0725 13.0725 13.2022 13.2022 13.6778 13.6778 13.7064 13.7064 15.0461 15.0461 16.0382 16.0382 17.5487 17.5487 17.6979 17.6979 k = 0.4630 0.3528-0.0000 ( 2052 PWs) bands (ev): 3.3375 3.3375 4.1779 4.1779 7.1406 7.1406 9.4367 9.4367 9.7372 9.7372 9.7860 9.7860 9.8117 9.8117 10.6923 10.6923 10.7070 10.7070 11.1762 11.1762 11.1953 11.1953 11.6768 11.6768 11.7877 11.7877 11.8347 11.8347 12.0243 12.0243 12.0978 12.0978 12.4341 12.4341 12.6374 12.6374 12.7644 12.7644 12.8531 12.8531 12.9670 12.9670 13.0653 13.0653 13.1907 13.1907 13.6951 13.6951 13.7203 13.7203 15.0552 15.0552 16.0128 16.0128 17.4263 17.4263 17.7848 17.7848 k = 0.4568 0.3635-0.0000 ( 2056 PWs) bands (ev): 3.3513 3.3513 4.1832 4.1832 7.1456 7.1456 9.4516 9.4516 9.6537 9.6537 9.7529 9.7529 9.8012 9.8012 10.7323 10.7323 10.7581 10.7581 11.1574 11.1574 11.1983 11.1983 11.6784 11.6784 11.7948 11.7948 11.8369 11.8369 12.0144 12.0144 12.1021 12.1021 12.4332 12.4332 12.6302 12.6302 12.7550 12.7550 12.8511 12.8511 12.9686 12.9686 13.0570 13.0570 13.1794 13.1794 13.6985 13.6985 13.7509 13.7509 15.0655 15.0655 15.9829 15.9829 17.2967 17.2967 17.8867 17.8867 k = 0.4506 0.3742-0.0000 ( 2052 PWs) bands (ev): 3.3671 3.3671 4.1889 4.1889 7.1507 7.1507 9.4687 9.4687 9.5646 9.5646 9.7126 9.7126 9.8019 9.8019 10.7730 10.7730 10.8065 10.8065 11.1295 11.1295 11.2090 11.2090 11.6800 11.6800 11.8028 11.8028 11.8394 11.8394 12.0048 12.0048 12.1063 12.1063 12.4322 12.4322 12.6223 12.6223 12.7440 12.7440 12.8487 12.8487 12.9707 12.9707 13.0477 13.0477 13.1688 13.1688 13.6991 13.6991 13.7870 13.7870 15.0767 15.0767 15.9485 15.9485 17.1633 17.1633 18.0028 18.0028 k = 0.4444 0.3849-0.0000 ( 2048 PWs) bands (ev): 3.3851 3.3851 4.1950 4.1950 7.1556 7.1556 9.4752 9.4752 9.4881 9.4881 9.6697 9.6697 9.8054 9.8054 10.8139 10.8139 10.8518 10.8518 11.0980 11.0980 11.2220 11.2220 11.6811 11.6811 11.8113 11.8113 11.8420 11.8420 11.9959 11.9959 12.1104 12.1104 12.4311 12.4311 12.6138 12.6138 12.7315 12.7315 12.8456 12.8456 12.9730 12.9730 13.0376 13.0376 13.1591 13.1591 13.6991 13.6991 13.8259 13.8259 15.0889 15.0889 15.9098 15.9098 17.0284 17.0284 18.1325 18.1325 k = 0.4383 0.3956-0.0000 ( 2056 PWs) bands (ev): 3.4050 3.4050 4.2011 4.2011 7.1600 7.1600 9.3874 9.3874 9.5093 9.5093 9.6253 9.6253 9.8102 9.8102 10.8541 10.8541 10.8941 10.8941 11.0638 11.0638 11.2366 11.2366 11.6817 11.6817 11.8200 11.8200 11.8449 11.8449 11.9884 11.9884 12.1141 12.1141 12.4297 12.4297 12.6048 12.6048 12.7174 12.7174 12.8414 12.8414 12.9751 12.9751 13.0271 13.0271 13.1503 13.1503 13.6989 13.6989 13.8670 13.8670 15.1016 15.1016 15.8667 15.8667 16.8936 16.8936 18.2749 18.2749 k = 0.4321 0.4063-0.0000 ( 2056 PWs) bands (ev): 3.4270 3.4270 4.2071 4.2071 7.1635 7.1635 9.3022 9.3022 9.5328 9.5328 9.5804 9.5804 9.8158 9.8158 10.8925 10.8925 10.9336 10.9336 11.0281 11.0281 11.2529 11.2529 11.6814 11.6814 11.8286 11.8286 11.8485 11.8485 11.9830 11.9830 12.1176 12.1176 12.4281 12.4281 12.5953 12.5953 12.7023 12.7023 12.8363 12.8363 12.9763 12.9763 13.0170 13.0170 13.1427 13.1427 13.6985 13.6985 13.9099 13.9099 15.1151 15.1151 15.8197 15.8197 16.7604 16.7604 18.4296 18.4296 k = 0.4259 0.4170-0.0000 ( 2056 PWs) bands (ev): 3.4509 3.4509 4.2128 4.2128 7.1658 7.1658 9.2208 9.2208 9.5350 9.5350 9.5583 9.5583 9.8222 9.8222 10.9249 10.9249 10.9706 10.9706 10.9946 10.9946 11.2706 11.2706 11.6800 11.6800 11.8357 11.8357 11.8538 11.8538 11.9806 11.9806 12.1207 12.1207 12.4264 12.4264 12.5854 12.5854 12.6862 12.6862 12.8302 12.8302 12.9743 12.9743 13.0092 13.0092 13.1360 13.1360 13.6982 13.6982 13.9545 13.9545 15.1291 15.1291 15.7687 15.7687 16.6299 16.6299 18.5957 18.5957 k = 0.4198 0.4277-0.0000 ( 2056 PWs) bands (ev): 3.4767 3.4767 4.2178 4.2178 7.1664 7.1664 9.1442 9.1442 9.4896 9.4896 9.5857 9.5857 9.8293 9.8293 10.9259 10.9259 10.9880 10.9880 11.0056 11.0056 11.2893 11.2893 11.6770 11.6770 11.8403 11.8403 11.8617 11.8617 11.9816 11.9816 12.1232 12.1232 12.4244 12.4244 12.5751 12.5751 12.6694 12.6694 12.8228 12.8228 12.9673 12.9673 13.0059 13.0059 13.1304 13.1304 13.6977 13.6977 14.0006 14.0006 15.1436 15.1436 15.7142 15.7142 16.5031 16.5031 18.7727 18.7727 k = 0.4136 0.4384-0.0000 ( 2052 PWs) bands (ev): 3.5044 3.5044 4.2219 4.2219 7.1649 7.1649 9.0734 9.0734 9.4442 9.4442 9.6149 9.6149 9.8370 9.8370 10.8902 10.8902 11.0135 11.0135 11.0390 11.0390 11.3088 11.3088 11.6724 11.6724 11.8432 11.8432 11.8717 11.8717 11.9863 11.9863 12.1254 12.1254 12.4221 12.4221 12.5644 12.5644 12.6523 12.6523 12.8143 12.8143 12.9557 12.9557 13.0066 13.0066 13.1259 13.1259 13.6973 13.6973 14.0481 14.0481 15.1586 15.1586 15.6563 15.6563 16.3806 16.3806 18.9598 18.9598 k = 0.4074 0.4491-0.0000 ( 2054 PWs) bands (ev): 3.5339 3.5339 4.2247 4.2247 7.1610 7.1610 9.0096 9.0096 9.3989 9.3989 9.6459 9.6459 9.8453 9.8453 10.8463 10.8463 11.0418 11.0418 11.0714 11.0714 11.3288 11.3288 11.6661 11.6661 11.8455 11.8455 11.8826 11.8826 11.9947 11.9947 12.1270 12.1270 12.4196 12.4196 12.5533 12.5533 12.6351 12.6351 12.8046 12.8046 12.9416 12.9416 13.0091 13.0091 13.1223 13.1223 13.6969 13.6969 14.0969 14.0969 15.1741 15.1741 15.5955 15.5955 16.2632 16.2632 19.1202 19.1202 k = 0.4012 0.4597-0.0000 ( 2058 PWs) bands (ev): 3.5652 3.5652 4.2259 4.2259 7.1545 7.1545 8.9535 8.9535 9.3541 9.3541 9.6785 9.6785 9.8543 9.8543 10.7996 10.7996 11.0680 11.0680 11.1029 11.1029 11.3489 11.3489 11.6578 11.6578 11.8479 11.8479 11.8940 11.8940 12.0067 12.0067 12.1281 12.1281 12.4166 12.4166 12.5416 12.5416 12.6179 12.6179 12.7937 12.7937 12.9261 12.9261 13.0123 13.0123 13.1196 13.1196 13.6963 13.6963 14.1470 14.1470 15.1901 15.1901 15.5321 15.5321 16.1515 16.1515 19.0653 19.0653 k = 0.3951 0.4704-0.0000 ( 2054 PWs) bands (ev): 3.5983 3.5983 4.2250 4.2250 7.1453 7.1453 8.9060 8.9060 9.3097 9.3097 9.7126 9.7126 9.8639 9.8639 10.7511 10.7511 11.0914 11.0914 11.1334 11.1334 11.3689 11.3689 11.6480 11.6480 11.8509 11.8509 11.9057 11.9057 12.0222 12.0222 12.1288 12.1288 12.4135 12.4135 12.5294 12.5294 12.6010 12.6010 12.7820 12.7820 12.9099 12.9099 13.0156 13.0156 13.1178 13.1178 13.6959 13.6959 14.1983 14.1983 15.2066 15.2066 15.4666 15.4666 16.0460 16.0460 19.0157 19.0157 k = 0.3889 0.4811-0.0000 ( 2050 PWs) bands (ev): 3.6330 3.6330 4.2215 4.2215 7.1334 7.1334 8.8675 8.8675 9.2659 9.2659 9.7479 9.7479 9.8741 9.8741 10.7010 10.7010 11.1120 11.1120 11.1625 11.1625 11.3880 11.3880 11.6368 11.6368 11.8544 11.8544 11.9175 11.9175 12.0408 12.0408 12.1295 12.1295 12.4100 12.4100 12.5165 12.5165 12.5846 12.5846 12.7696 12.7696 12.8934 12.8934 13.0186 13.0186 13.1167 13.1167 13.6956 13.6956 14.2509 14.2509 15.2236 15.2236 15.3993 15.3993 15.9473 15.9473 18.9720 18.9720 k = 0.3827 0.4918-0.0000 ( 2058 PWs) bands (ev): 3.6693 3.6693 4.2151 4.2151 7.1193 7.1193 8.8383 8.8383 9.2227 9.2227 9.7842 9.7842 9.8849 9.8849 10.6500 10.6500 11.1300 11.1300 11.1900 11.1900 11.4056 11.4056 11.6247 11.6247 11.8583 11.8583 11.9289 11.9289 12.0620 12.0620 12.1298 12.1298 12.4058 12.4058 12.5028 12.5028 12.5686 12.5686 12.7569 12.7569 12.8766 12.8766 13.0214 13.0214 13.1162 13.1162 13.6952 13.6952 14.3045 14.3045 15.2412 15.2412 15.3307 15.3307 15.8557 15.8557 18.9337 18.9337 k = 0.3765 0.5025-0.0000 ( 2058 PWs) bands (ev): 3.7072 3.7072 4.2053 4.2053 7.1034 7.1034 8.8186 8.8186 9.1802 9.1802 9.8211 9.8211 9.8964 9.8964 10.5983 10.5983 11.1456 11.1456 11.2157 11.2157 11.4221 11.4221 11.6119 11.6119 11.8626 11.8626 11.9400 11.9400 12.0853 12.0853 12.1304 12.1304 12.4013 12.4013 12.4882 12.4882 12.5534 12.5534 12.7446 12.7446 12.8603 12.8603 13.0238 13.0238 13.1163 13.1163 13.6950 13.6950 14.3593 14.3593 15.2579 15.2579 15.2625 15.2625 15.7716 15.7716 18.9008 18.9008 k = 0.3704 0.5132-0.0000 ( 2060 PWs) bands (ev): 3.7465 3.7465 4.1917 4.1917 7.0866 7.0866 8.8081 8.8081 9.1385 9.1385 9.8581 9.8581 9.9086 9.9086 10.5465 10.5465 11.1589 11.1589 11.2394 11.2394 11.4372 11.4372 11.5988 11.5988 11.8668 11.8668 11.9502 11.9502 12.1088 12.1088 12.1328 12.1328 12.3960 12.3960 12.4726 12.4726 12.5391 12.5391 12.7332 12.7332 12.8445 12.8445 13.0259 13.0259 13.1168 13.1168 13.6947 13.6947 14.4151 14.4151 15.1912 15.1912 15.2780 15.2780 15.6954 15.6954 18.8729 18.8729 k = 0.3642 0.5239-0.0000 ( 2062 PWs) bands (ev): 3.7872 3.7872 4.1737 4.1737 7.0698 7.0698 8.8063 8.8063 9.0978 9.0978 9.8938 9.8938 9.9220 9.9220 10.4952 10.4952 11.1700 11.1700 11.2606 11.2606 11.4508 11.4508 11.5859 11.5859 11.8710 11.8710 11.9595 11.9595 12.1229 12.1229 12.1464 12.1464 12.3898 12.3898 12.4562 12.4562 12.5261 12.5261 12.7232 12.7232 12.8298 12.8298 13.0275 13.0275 13.1175 13.1175 13.6945 13.6945 14.4719 14.4719 15.1215 15.1215 15.2970 15.2970 15.6272 15.6272 18.8499 18.8499 k = 0.3580 0.5346-0.0000 ( 2062 PWs) bands (ev): 3.8292 3.8292 4.1511 4.1511 7.0539 7.0539 8.8128 8.8128 9.0579 9.0579 9.9247 9.9247 9.9392 9.9392 10.4457 10.4457 11.1789 11.1789 11.2789 11.2789 11.4632 11.4632 11.5733 11.5733 11.8749 11.8749 11.9675 11.9675 12.1259 12.1259 12.1722 12.1722 12.3820 12.3820 12.4393 12.4393 12.5147 12.5147 12.7151 12.7151 12.8164 12.8164 13.0289 13.0289 13.1183 13.1183 13.6944 13.6944 14.5295 14.5295 15.0524 15.0524 15.3166 15.3166 15.5674 15.5674 18.8316 18.8316 k = 0.3519 0.5453-0.0000 ( 2062 PWs) bands (ev): 3.8724 3.8724 4.1234 4.1234 7.0400 7.0400 8.8267 8.8267 9.0193 9.0193 9.9438 9.9438 9.9648 9.9648 10.4000 10.4000 11.1857 11.1857 11.2938 11.2938 11.4744 11.4744 11.5617 11.5617 11.8783 11.8783 11.9737 11.9737 12.1269 12.1269 12.1999 12.1999 12.3722 12.3722 12.4234 12.4234 12.5056 12.5056 12.7090 12.7090 12.8049 12.8049 13.0300 13.0300 13.1190 13.1190 13.6943 13.6943 14.5878 14.5878 14.9847 14.9847 15.3365 15.3365 15.5163 15.5163 18.8176 18.8176 k = 0.3457 0.5560-0.0000 ( 2062 PWs) bands (ev): 3.9167 3.9167 4.0905 4.0905 7.0292 7.0292 8.8472 8.8472 8.9819 8.9819 9.9588 9.9588 9.9879 9.9879 10.3613 10.3613 11.1905 11.1905 11.3047 11.3047 11.4842 11.4842 11.5517 11.5517 11.8808 11.8808 11.9782 11.9782 12.1276 12.1276 12.2260 12.2260 12.3601 12.3601 12.4104 12.4104 12.4989 12.4989 12.7051 12.7051 12.7958 12.7958 13.0308 13.0308 13.1196 13.1196 13.6942 13.6942 14.6459 14.6459 14.9194 14.9194 15.3562 15.3562 15.4743 15.4743 18.8079 18.8079 k = 0.3395 0.5667-0.0000 ( 2066 PWs) bands (ev): 3.9620 3.9620 4.0521 4.0521 7.0221 7.0221 8.8728 8.8728 8.9466 8.9466 9.9728 9.9728 10.0001 10.0001 10.3345 10.3345 11.1934 11.1934 11.3113 11.3113 11.4914 11.4914 11.5446 11.5446 11.8825 11.8825 11.9808 11.9808 12.1281 12.1281 12.2464 12.2464 12.3485 12.3485 12.4017 12.4017 12.4949 12.4949 12.7030 12.7030 12.7898 12.7898 13.0313 13.0313 13.1200 13.1200 13.6942 13.6942 14.7006 14.7006 14.8601 14.8601 15.3740 15.3740 15.4431 15.4431 18.8021 18.8021 k = 0.3333 0.5774-0.0000 ( 2058 PWs) bands (ev): 4.0060 4.0060 4.0105 4.0105 7.0196 7.0196 8.8936 8.8936 8.9228 8.9228 9.9823 9.9823 10.0001 10.0001 10.3252 10.3252 11.1943 11.1943 11.3135 11.3135 11.4942 11.4942 11.5422 11.5422 11.8832 11.8832 11.9818 11.9818 12.1284 12.1284 12.2545 12.2545 12.3435 12.3435 12.3985 12.3985 12.4935 12.4935 12.7025 12.7025 12.7877 12.7877 13.0316 13.0316 13.1202 13.1202 13.6943 13.6943 14.7318 14.7318 14.8273 14.8273 15.3826 15.3826 15.4301 15.4301 18.8003 18.8003 k = 0.3333 0.5774-0.0000 ( 2058 PWs) bands (ev): 4.0060 4.0060 4.0105 4.0105 7.0196 7.0196 8.8936 8.8936 8.9228 8.9228 9.9823 9.9823 10.0001 10.0001 10.3252 10.3252 11.1943 11.1943 11.3135 11.3135 11.4942 11.4942 11.5422 11.5422 11.8832 11.8832 11.9818 11.9818 12.1284 12.1284 12.2545 12.2545 12.3435 12.3435 12.3985 12.3985 12.4935 12.4935 12.7025 12.7025 12.7877 12.7877 13.0316 13.0316 13.1202 13.1202 13.6943 13.6943 14.7318 14.7318 14.8273 14.8273 15.3826 15.3826 15.4301 15.4301 18.8003 18.8003 k = 0.3272 0.5667-0.0000 ( 2068 PWs) bands (ev): 3.9589 3.9589 4.0552 4.0552 7.0223 7.0223 8.8712 8.8712 8.9480 8.9480 9.9649 9.9649 10.0086 10.0086 10.3339 10.3339 11.1934 11.1934 11.3114 11.3114 11.4916 11.4916 11.5439 11.5439 11.8823 11.8823 11.9809 11.9809 12.1280 12.1280 12.2476 12.2476 12.3467 12.3467 12.4026 12.4026 12.4948 12.4948 12.7029 12.7029 12.7899 12.7899 13.0313 13.0313 13.1200 13.1200 13.6942 13.6942 14.7010 14.7010 14.8597 14.8597 15.3765 15.3765 15.4406 15.4406 18.8021 18.8021 k = 0.3210 0.5560-0.0000 ( 2068 PWs) bands (ev): 3.9044 3.9044 4.1027 4.1027 7.0304 7.0304 8.8399 8.8399 8.9874 8.9874 9.9266 9.9266 10.0237 10.0237 10.3571 10.3571 11.1908 11.1908 11.3051 11.3051 11.4862 11.4862 11.5473 11.5473 11.8805 11.8805 11.9788 11.9788 12.1272 12.1272 12.2330 12.2330 12.3506 12.3506 12.4159 12.4159 12.4987 12.4987 12.7042 12.7042 12.7970 12.7970 13.0305 13.0305 13.1197 13.1197 13.6942 13.6942 14.6481 14.6481 14.9178 14.9178 15.3689 15.3689 15.4612 15.4612 18.8075 18.8075 k = 0.3148 0.5453-0.0000 ( 2072 PWs) bands (ev): 3.8449 3.8449 4.1507 4.1507 7.0443 7.0443 8.8092 8.8092 9.0308 9.0308 9.8777 9.8777 10.0399 10.0399 10.3894 10.3894 11.1867 11.1867 11.2951 11.2951 11.4796 11.4796 11.5490 11.5490 11.8773 11.8773 11.9757 11.9757 12.1257 12.1257 12.2177 12.2177 12.3519 12.3519 12.4357 12.4357 12.5049 12.5049 12.7064 12.7064 12.8088 12.8088 13.0292 13.0292 13.1195 13.1195 13.6941 13.6941 14.5935 14.5935 14.9815 14.9815 15.3666 15.3666 15.4848 15.4848 18.8164 18.8164 k = 0.3086 0.5346-0.0000 ( 2064 PWs) bands (ev): 3.7807 3.7807 4.1991 4.1991 7.0640 7.0640 8.7799 8.7799 9.0771 9.0771 9.8225 9.8225 10.0568 10.0568 10.4271 10.4271 11.1814 11.1814 11.2817 11.2817 11.4731 11.4731 11.5468 11.5468 11.8731 11.8731 11.9722 11.9722 12.1237 12.1237 12.2056 12.2056 12.3520 12.3520 12.4584 12.4584 12.5134 12.5134 12.7099 12.7099 12.8250 12.8250 13.0272 13.0272 13.1195 13.1195 13.6939 13.6939 14.5404 14.5404 15.0476 15.0476 15.3709 15.3709 15.5102 15.5102 18.8286 18.8286 k = 0.3025 0.5239-0.0000 ( 2068 PWs) bands (ev): 3.7122 3.7122 4.2476 4.2476 7.0894 7.0894 8.7522 8.7522 9.1254 9.1254 9.7633 9.7633 10.0740 10.0740 10.4677 10.4677 11.1747 11.1747 11.2650 11.2650 11.4669 11.4669 11.5392 11.5392 11.8676 11.8676 11.9686 11.9686 12.1212 12.1212 12.1985 12.1985 12.3521 12.3521 12.4816 12.4816 12.5238 12.5238 12.7149 12.7149 12.8447 12.8447 13.0241 13.0241 13.1199 13.1199 13.6935 13.6935 14.4898 14.4898 15.1153 15.1153 15.3818 15.3818 15.5367 15.5367 18.8442 18.8442 k = 0.2963 0.5132-0.0000 ( 2070 PWs) bands (ev): 3.6399 3.6399 4.2962 4.2962 7.1205 7.1205 8.7262 8.7262 9.1749 9.1749 9.7014 9.7014 10.0917 10.0917 10.5097 10.5097 11.1669 11.1669 11.2455 11.2455 11.4609 11.4609 11.5260 11.5260 11.8613 11.8613 11.9654 11.9654 12.1182 12.1182 12.1976 12.1976 12.3529 12.3529 12.5044 12.5044 12.5359 12.5359 12.7217 12.7217 12.8674 12.8674 13.0200 13.0200 13.1208 13.1208 13.6929 13.6929 14.4421 14.4421 15.1844 15.1844 15.3993 15.3993 15.5644 15.5644 18.8630 18.8630 k = 0.2901 0.5025-0.0000 ( 2066 PWs) bands (ev): 3.5642 3.5642 4.3446 4.3446 7.1570 7.1570 8.7022 8.7022 9.2251 9.2251 9.6378 9.6378 10.1098 10.1098 10.5520 10.5520 11.1581 11.1581 11.2236 11.2236 11.4552 11.4552 11.5078 11.5078 11.8542 11.8542 11.9630 11.9630 12.1147 12.1147 12.2034 12.2034 12.3546 12.3546 12.5268 12.5268 12.5494 12.5494 12.7306 12.7306 12.8925 12.8925 13.0150 13.0150 13.1225 13.1225 13.6922 13.6922 14.3977 14.3977 15.2546 15.2546 15.4232 15.4232 15.5930 15.5930 18.8850 18.8850 k = 0.2840 0.4918-0.0000 ( 2068 PWs) bands (ev): 3.4856 3.4856 4.3927 4.3927 7.1987 7.1987 8.6801 8.6801 9.2751 9.2751 9.5730 9.5730 10.1281 10.1281 10.5938 10.5938 11.1479 11.1479 11.1998 11.1998 11.4483 11.4483 11.4865 11.4865 11.8464 11.8464 11.9616 11.9616 12.1109 12.1109 12.2156 12.2156 12.3573 12.3573 12.5485 12.5485 12.5641 12.5641 12.7419 12.7419 12.9191 12.9191 13.0091 13.0091 13.1251 13.1251 13.6911 13.6911 14.3567 14.3567 15.3259 15.3259 15.4532 15.4532 15.6227 15.6227 18.9103 18.9103 k = 0.2778 0.4811-0.0000 ( 2078 PWs) bands (ev): 3.4045 3.4045 4.4403 4.4403 7.2453 7.2453 8.6602 8.6602 9.3244 9.3244 9.5074 9.5074 10.1467 10.1467 10.6346 10.6346 11.1351 11.1351 11.1759 11.1759 11.4356 11.4356 11.4678 11.4678 11.8377 11.8377 11.9611 11.9611 12.1069 12.1069 12.2333 12.2333 12.3612 12.3612 12.5698 12.5698 12.5797 12.5797 12.7554 12.7554 12.9458 12.9458 13.0034 13.0034 13.1287 13.1287 13.6896 13.6896 14.3190 14.3190 15.3981 15.3981 15.4889 15.4889 15.6535 15.6535 18.9386 18.9386 k = 0.2716 0.4704-0.0000 ( 2078 PWs) bands (ev): 3.3213 3.3213 4.4872 4.4872 7.2965 7.2965 8.6426 8.6426 9.3718 9.3718 9.4418 9.4418 10.1655 10.1655 10.6739 10.6739 11.1164 11.1164 11.1557 11.1557 11.4122 11.4122 11.4584 11.4584 11.8288 11.8288 11.9618 11.9618 12.1032 12.1032 12.2557 12.2557 12.3663 12.3663 12.5910 12.5910 12.5961 12.5961 12.7716 12.7716 12.9676 12.9676 13.0028 13.0028 13.1335 13.1335 13.6878 13.6878 14.2849 14.2849 15.4712 15.4712 15.5301 15.5301 15.6854 15.6854 18.9702 18.9702 k = 0.2654 0.4597-0.0000 ( 2074 PWs) bands (ev): 3.2366 3.2366 4.5333 4.5333 7.3519 7.3519 8.6273 8.6273 9.3722 9.3722 9.4209 9.4209 10.1845 10.1845 10.7110 10.7110 11.0897 11.0897 11.1417 11.1417 11.3825 11.3825 11.4546 11.4546 11.8199 11.8199 11.9637 11.9637 12.1002 12.1002 12.2817 12.2817 12.3726 12.3726 12.6117 12.6117 12.6136 12.6136 12.7905 12.7905 12.9716 12.9716 13.0202 13.0202 13.1394 13.1394 13.6855 13.6855 14.2544 14.2544 15.5450 15.5450 15.5764 15.5764 15.7185 15.7185 19.0050 19.0050 k = 0.2593 0.4491-0.0000 ( 2074 PWs) bands (ev): 3.1507 3.1507 4.5783 4.5783 7.4112 7.4112 8.6145 8.6145 9.3066 9.3066 9.4632 9.4632 10.2035 10.2035 10.7457 10.7457 11.0574 11.0574 11.1321 11.1321 11.3507 11.3507 11.4529 11.4529 11.8113 11.8113 11.9668 11.9668 12.0980 12.0980 12.3100 12.3100 12.3803 12.3803 12.6293 12.6293 12.6351 12.6351 12.8117 12.8117 12.9649 12.9649 13.0485 13.0485 13.1464 13.1464 13.6828 13.6828 14.2273 14.2273 15.6186 15.6186 15.6284 15.6284 15.7528 15.7528 19.0430 19.0430 k = 0.2531 0.4384-0.0000 ( 2074 PWs) bands (ev): 3.0639 3.0639 4.6220 4.6220 7.4742 7.4742 8.6043 8.6043 9.2400 9.2400 9.5033 9.5033 10.2227 10.2227 10.7775 10.7775 11.0218 11.0218 11.1247 11.1247 11.3185 11.3185 11.4524 11.4524 11.8036 11.8036 11.9710 11.9710 12.0968 12.0968 12.3393 12.3393 12.3898 12.3898 12.6462 12.6462 12.6580 12.6580 12.8356 12.8356 12.9557 12.9557 13.0795 13.0795 13.1547 13.1547 13.6797 13.6797 14.2035 14.2035 15.6813 15.6813 15.6960 15.6960 15.7885 15.7885 19.0842 19.0842 k = 0.2469 0.4277-0.0000 ( 2070 PWs) bands (ev): 2.9767 2.9767 4.6643 4.6643 7.5404 7.5404 8.5967 8.5967 9.1734 9.1734 9.5397 9.5397 10.2420 10.2420 10.8060 10.8060 10.9848 10.9848 11.1190 11.1190 11.2865 11.2865 11.4524 11.4524 11.7974 11.7974 11.9763 11.9763 12.0970 12.0970 12.3669 12.3669 12.4026 12.4026 12.6627 12.6627 12.6822 12.6822 12.8618 12.8618 12.9464 12.9464 13.1117 13.1117 13.1644 13.1644 13.6764 13.6764 14.1830 14.1830 15.7409 15.7409 15.7709 15.7709 15.8262 15.8262 19.1288 19.1288 k = 0.2407 0.4170-0.0000 ( 2070 PWs) bands (ev): 2.8893 2.8893 4.7050 4.7050 7.6096 7.6096 8.5919 8.5919 9.1070 9.1070 9.5719 9.5719 10.2613 10.2613 10.8306 10.8306 10.9471 10.9471 11.1146 11.1146 11.2552 11.2552 11.4522 11.4522 11.7935 11.7935 11.9824 11.9824 12.0987 12.0987 12.3890 12.3890 12.4219 12.4219 12.6790 12.6790 12.7078 12.7078 12.8884 12.8884 12.9395 12.9395 13.1438 13.1438 13.1764 13.1764 13.6724 13.6724 14.1656 14.1656 15.8035 15.8035 15.8435 15.8435 15.8684 15.8684 19.1767 19.1767 k = 0.2346 0.4063-0.0000 ( 2070 PWs) bands (ev): 2.8020 2.8020 4.7440 4.7440 7.6815 7.6815 8.5899 8.5899 9.0410 9.0410 9.5996 9.5996 10.2805 10.2805 10.8491 10.8491 10.9115 10.9115 11.1111 11.1111 11.2250 11.2250 11.4515 11.4515 11.7928 11.7928 11.9891 11.9891 12.1022 12.1022 12.4046 12.4046 12.4477 12.4477 12.6948 12.6948 12.7349 12.7349 12.9057 12.9057 12.9453 12.9453 13.1725 13.1725 13.1945 13.1945 13.6682 13.6682 14.1512 14.1512 15.8686 15.8686 15.8984 15.8984 15.9310 15.9310 19.2279 19.2279 k = 0.2284 0.3956-0.0000 ( 2064 PWs) bands (ev): 2.7151 2.7151 4.7810 4.7810 7.7558 7.7558 8.5907 8.5907 8.9755 8.9755 9.6223 9.6223 10.2997 10.2997 10.8490 10.8490 10.8911 10.8911 11.1083 11.1083 11.1962 11.1962 11.4495 11.4495 11.7960 11.7960 11.9963 11.9963 12.1077 12.1077 12.4176 12.4176 12.4756 12.4756 12.7101 12.7101 12.7636 12.7636 12.9043 12.9043 12.9734 12.9734 13.1919 13.1919 13.2246 13.2246 13.6637 13.6637 14.1396 14.1396 15.9311 15.9311 15.9477 15.9477 16.0063 16.0063 19.2827 19.2827 k = 0.2222 0.3849-0.0000 ( 2068 PWs) bands (ev): 2.6288 2.6288 4.8159 4.8159 7.8323 7.8323 8.5943 8.5943 8.9107 8.9107 9.6401 9.6401 10.3187 10.3187 10.8196 10.8196 10.8968 10.8968 11.1052 11.1052 11.1692 11.1692 11.4457 11.4457 11.8037 11.8037 12.0034 12.0034 12.1151 12.1151 12.4300 12.4300 12.5031 12.5031 12.7247 12.7247 12.7934 12.7934 12.8973 12.8973 13.0111 13.0111 13.2081 13.2081 13.2615 13.2615 13.6590 13.6590 14.1306 14.1306 15.9796 15.9796 16.0132 16.0132 16.0833 16.0833 19.3409 19.3409 k = 0.2160 0.3742-0.0000 ( 2072 PWs) bands (ev): 2.5433 2.5433 4.8486 4.8486 7.9106 7.9106 8.6006 8.6006 8.8467 8.8467 9.6528 9.6528 10.3375 10.3375 10.7836 10.7836 10.9066 10.9066 11.0998 11.0998 11.1461 11.1461 11.4394 11.4394 11.8164 11.8164 12.0106 12.0106 12.1247 12.1247 12.4424 12.4424 12.5294 12.5294 12.7387 12.7387 12.8239 12.8239 12.8901 12.8901 13.0529 13.0529 13.2250 13.2250 13.3020 13.3020 13.6542 13.6542 14.1239 14.1239 16.0248 16.0248 16.0853 16.0853 16.1608 16.1608 19.4026 19.4026 k = 0.2099 0.3635-0.0000 ( 2066 PWs) bands (ev): 2.4589 2.4589 4.8791 4.8791 7.9905 7.9905 8.6094 8.6094 8.7838 8.7838 9.6607 9.6607 10.3561 10.3561 10.7476 10.7476 10.9144 10.9144 11.0882 11.0882 11.1310 11.1310 11.4308 11.4308 11.8340 11.8340 12.0178 12.0178 12.1363 12.1363 12.4550 12.4550 12.5541 12.5541 12.7522 12.7522 12.8536 12.8536 12.8849 12.8849 13.0975 13.0975 13.2444 13.2444 13.3457 13.3457 13.6496 13.6496 14.1194 14.1194 16.0708 16.0708 16.1593 16.1593 16.2384 16.2384 19.4678 19.4678 k = 0.2037 0.3528-0.0000 ( 2066 PWs) bands (ev): 2.3757 2.3757 4.9071 4.9071 8.0717 8.0717 8.6200 8.6200 8.7228 8.7228 9.6640 9.6640 10.3744 10.3744 10.7125 10.7125 10.9197 10.9197 11.0691 11.0691 11.1247 11.1247 11.4198 11.4198 11.8566 11.8566 12.0246 12.0246 12.1492 12.1492 12.4678 12.4678 12.5771 12.5771 12.7647 12.7647 12.8706 12.8706 12.8933 12.8933 13.1431 13.1431 13.2680 13.2680 13.3928 13.3928 13.6451 13.6451 14.1169 14.1169 16.1184 16.1184 16.2344 16.2344 16.3159 16.3159 19.5330 19.5330 k = 0.1975 0.3421-0.0000 ( 2066 PWs) bands (ev): 2.2939 2.2939 4.9328 4.9328 8.1540 8.1540 8.6263 8.6263 8.6697 8.6697 9.6629 9.6629 10.3925 10.3925 10.6791 10.6791 10.9223 10.9223 11.0466 11.0466 11.1229 11.1229 11.4064 11.4064 11.8834 11.8834 12.0313 12.0313 12.1629 12.1629 12.4811 12.4811 12.5986 12.5986 12.7766 12.7766 12.8693 12.8693 12.9204 12.9204 13.1865 13.1865 13.2992 13.2992 13.4437 13.4437 13.6411 13.6411 14.1162 14.1162 16.1677 16.1677 16.3099 16.3099 16.3930 16.3930 19.4812 19.4812 k = 0.1914 0.3314-0.0000 ( 2066 PWs) bands (ev): 2.2136 2.2136 4.9559 4.9559 8.2371 8.2371 8.5908 8.5908 8.6618 8.6618 9.6580 9.6580 10.4101 10.4101 10.6475 10.6475 10.9225 10.9225 11.0234 11.0234 11.1228 11.1228 11.3910 11.3910 11.9138 11.9138 12.0381 12.0381 12.1770 12.1770 12.4946 12.4946 12.6187 12.6187 12.7878 12.7878 12.8668 12.8668 12.9488 12.9488 13.2237 13.2237 13.3419 13.3419 13.4981 13.4981 13.6381 13.6381 14.1171 14.1171 16.2188 16.2188 16.3852 16.3852 16.4696 16.4696 19.3975 19.3975 k = 0.1852 0.3208-0.0000 ( 2073 PWs) bands (ev): 2.1350 2.1350 4.9767 4.9767 8.3206 8.3206 8.5347 8.5347 8.6781 8.6781 9.6497 9.6497 10.4273 10.4273 10.6179 10.6179 10.9204 10.9204 11.0005 11.0005 11.1234 11.1234 11.3738 11.3738 11.9471 11.9471 12.0451 12.0451 12.1910 12.1910 12.5086 12.5086 12.6377 12.6377 12.7984 12.7984 12.8653 12.8653 12.9756 12.9756 13.2537 13.2537 13.3975 13.3975 13.5545 13.5545 13.6376 13.6376 14.1194 14.1194 16.2719 16.2719 16.4598 16.4598 16.5454 16.5454 19.3161 19.3161 k = 0.1790 0.3101-0.0000 ( 2069 PWs) bands (ev): 2.0581 2.0581 4.9950 4.9950 8.4037 8.4037 8.4783 8.4783 8.6987 8.6987 9.6384 9.6384 10.4441 10.4441 10.5905 10.5905 10.9165 10.9165 10.9787 10.9787 11.1242 11.1242 11.3550 11.3550 11.9821 11.9821 12.0525 12.0525 12.2045 12.2045 12.5229 12.5229 12.6559 12.6559 12.8086 12.8086 12.8654 12.8654 13.0007 13.0007 13.2785 13.2785 13.4635 13.4635 13.6017 13.6017 13.6517 13.6517 14.1232 14.1232 16.3270 16.3270 16.5331 16.5331 16.6201 16.6201 19.2379 19.2379 k = 0.1728 0.2994-0.0000 ( 2073 PWs) bands (ev): 1.9831 1.9831 5.0109 5.0109 8.4189 8.4189 8.4909 8.4909 8.7214 8.7214 9.6245 9.6245 10.4604 10.4604 10.5654 10.5654 10.9109 10.9109 10.9580 10.9580 11.1251 11.1251 11.3350 11.3350 12.0177 12.0177 12.0608 12.0608 12.2173 12.2173 12.5376 12.5376 12.6731 12.6731 12.8180 12.8180 12.8667 12.8667 13.0236 13.0236 13.3007 13.3007 13.5377 13.5377 13.6151 13.6151 13.7045 13.7045 14.1281 14.1281 16.3841 16.3841 16.6045 16.6045 16.6934 16.6934 19.1629 19.1629 k = 0.1667 0.2887-0.0000 ( 2073 PWs) bands (ev): 1.9101 1.9101 5.0245 5.0245 8.3645 8.3645 8.5739 8.5739 8.7459 8.7459 9.6086 9.6086 10.4761 10.4761 10.5429 10.5429 10.9038 10.9038 10.9388 10.9388 11.1260 11.1260 11.3138 11.3138 12.0508 12.0508 12.0726 12.0726 12.2290 12.2290 12.5527 12.5527 12.6896 12.6896 12.8269 12.8269 12.8694 12.8694 13.0444 13.0444 13.3213 13.3213 13.6109 13.6109 13.6240 13.6240 13.7746 13.7746 14.1342 14.1342 16.4433 16.4433 16.6736 16.6736 16.7649 16.7649 19.0914 19.0914 k = 0.1605 0.2780-0.0000 ( 2075 PWs) bands (ev): 1.8391 1.8391 5.0359 5.0359 8.3108 8.3108 8.6573 8.6573 8.7716 8.7716 9.5910 9.5910 10.4904 10.4904 10.5233 10.5233 10.8956 10.8956 10.9211 10.9211 11.1266 11.1266 11.2920 11.2920 12.0698 12.0698 12.0988 12.0988 12.2395 12.2395 12.5683 12.5683 12.7055 12.7055 12.8353 12.8353 12.8731 12.8731 13.0631 13.0631 13.3413 13.3413 13.6144 13.6144 13.7069 13.7069 13.8513 13.8513 14.1413 14.1413 16.5045 16.5045 16.7397 16.7397 16.8342 16.8342 19.0236 19.0236 k = 0.1543 0.2673-0.0000 ( 2079 PWs) bands (ev): 1.7703 1.7703 5.0452 5.0452 8.2583 8.2583 8.7400 8.7400 8.7982 8.7982 9.5722 9.5722 10.4964 10.4964 10.5136 10.5136 10.8863 10.8863 10.9053 10.9053 11.1269 11.1269 11.2695 11.2695 12.0801 12.0801 12.1334 12.1334 12.2487 12.2487 12.5843 12.5843 12.7209 12.7209 12.8432 12.8432 12.8779 12.8779 13.0798 13.0798 13.3609 13.3609 13.6139 13.6139 13.7994 13.7994 13.9326 13.9326 14.1495 14.1495 16.5678 16.5678 16.8025 16.8025 16.9007 16.9007 18.9597 18.9597 k = 0.1481 0.2566-0.0000 ( 2079 PWs) bands (ev): 1.7038 1.7038 5.0526 5.0526 8.2074 8.2074 8.8197 8.8197 8.8274 8.8274 9.5528 9.5528 10.4842 10.4842 10.5236 10.5236 10.8762 10.8762 10.8916 10.8916 11.1267 11.1267 11.2467 11.2467 12.0892 12.0892 12.1684 12.1684 12.2567 12.2567 12.6008 12.6008 12.7359 12.7359 12.8506 12.8506 12.8834 12.8834 13.0946 13.0946 13.3802 13.3802 13.6136 13.6136 13.8972 13.8972 14.0177 14.0177 14.1591 14.1591 16.6330 16.6330 16.8612 16.8612 16.9642 16.9642 18.9001 18.9001 k = 0.1420 0.2459-0.0000 ( 2083 PWs) bands (ev): 1.6395 1.6395 5.0581 5.0581 8.1581 8.1581 8.8518 8.8518 8.9027 8.9027 9.5332 9.5332 10.4704 10.4704 10.5366 10.5366 10.8655 10.8655 10.8803 10.8803 11.1258 11.1258 11.2239 11.2239 12.0982 12.0982 12.2023 12.2023 12.2635 12.2635 12.6179 12.6179 12.7507 12.7507 12.8575 12.8575 12.8893 12.8893 13.1077 13.1077 13.3992 13.3992 13.6137 13.6137 13.9999 13.9999 14.1041 14.1041 14.1721 14.1721 16.7001 16.7001 16.9154 16.9154 17.0243 17.0243 18.8448 18.8448 k = 0.1358 0.2352-0.0000 ( 2083 PWs) bands (ev): 1.5776 1.5776 5.0619 5.0619 8.1105 8.1105 8.8789 8.8789 8.9811 8.9811 9.5140 9.5140 10.4577 10.4577 10.5496 10.5496 10.8544 10.8544 10.8718 10.8718 11.1234 11.1234 11.2019 11.2019 12.1072 12.1072 12.2346 12.2346 12.2694 12.2694 12.6355 12.6355 12.7652 12.7652 12.8640 12.8640 12.8957 12.8957 13.1191 13.1191 13.4180 13.4180 13.6144 13.6144 14.1072 14.1072 14.1644 14.1644 14.2161 14.2161 16.7686 16.7686 16.9644 16.9644 17.0809 17.0809 18.7942 18.7942 k = 0.1296 0.2245-0.0000 ( 2083 PWs) bands (ev): 1.5181 1.5181 5.0643 5.0643 8.0646 8.0646 8.9053 8.9053 9.0568 9.0568 9.4962 9.4962 10.4462 10.4462 10.5621 10.5621 10.8430 10.8430 10.8663 10.8663 11.1183 11.1183 11.1819 11.1819 12.1163 12.1163 12.2645 12.2645 12.2750 12.2750 12.6536 12.6536 12.7797 12.7797 12.8702 12.8702 12.9021 12.9021 13.1289 13.1289 13.4364 13.4364 13.6157 13.6157 14.1812 14.1812 14.2189 14.2189 14.3076 14.3076 16.8384 16.8384 17.0075 17.0075 17.1341 17.1341 18.7483 18.7483 k = 0.1235 0.2138-0.0000 ( 2083 PWs) bands (ev): 1.4611 1.4611 5.0652 5.0652 8.0205 8.0205 8.9308 8.9308 9.1282 9.1282 9.4812 9.4812 10.4357 10.4357 10.5740 10.5740 10.8314 10.8314 10.8640 10.8640 11.1081 11.1081 11.1663 11.1663 12.1256 12.1256 12.2776 12.2776 12.2946 12.2946 12.6721 12.6721 12.7940 12.7940 12.8760 12.8760 12.9086 12.9086 13.1373 13.1373 13.4545 13.4545 13.6174 13.6174 14.1933 14.1933 14.3342 14.3342 14.4087 14.4087 16.9086 16.9086 17.0443 17.0443 17.1840 17.1840 18.7071 18.7071 k = 0.1173 0.2031-0.0000 ( 2083 PWs) bands (ev): 1.4067 1.4067 5.0650 5.0650 7.9782 7.9782 8.9553 8.9553 9.1926 9.1926 9.4720 9.4720 10.4259 10.4259 10.5853 10.5853 10.8197 10.8197 10.8652 10.8652 11.0915 11.0915 11.1567 11.1567 12.1344 12.1344 12.2816 12.2816 12.3206 12.3206 12.6909 12.6909 12.8082 12.8082 12.8815 12.8815 12.9147 12.9147 13.1444 13.1444 13.4724 13.4724 13.6198 13.6198 14.2047 14.2047 14.4528 14.4528 14.5150 14.5150 16.9779 16.9779 17.0754 17.0754 17.2311 17.2311 18.6705 18.6705 k = 0.1111 0.1925-0.0000 ( 2087 PWs) bands (ev): 1.3547 1.3547 5.0637 5.0637 7.9379 7.9379 8.9784 8.9784 9.2448 9.2448 9.4739 9.4739 10.4166 10.4166 10.5960 10.5960 10.8081 10.8081 10.8698 10.8698 11.0697 11.0697 11.1517 11.1517 12.1432 12.1432 12.2848 12.2848 12.3447 12.3447 12.7099 12.7099 12.8224 12.8224 12.8865 12.8865 12.9204 12.9204 13.1502 13.1502 13.4896 13.4896 13.6224 13.6224 14.2160 14.2160 14.5738 14.5738 14.6268 14.6268 17.0414 17.0414 17.1043 17.1043 17.2757 17.2757 18.6380 18.6380 k = 0.1049 0.1818-0.0000 ( 2087 PWs) bands (ev): 1.3054 1.3054 5.0616 5.0616 7.8995 7.8995 9.0001 9.0001 9.2777 9.2777 9.4939 9.4939 10.4076 10.4076 10.6062 10.6062 10.7966 10.7966 10.8778 10.8778 11.0449 11.0449 11.1491 11.1491 12.1518 12.1518 12.2877 12.2877 12.3666 12.3666 12.7289 12.7289 12.8367 12.8367 12.8914 12.8914 12.9257 12.9257 13.1548 13.1548 13.5064 13.5064 13.6255 13.6255 14.2273 14.2273 14.6959 14.6959 14.7447 14.7447 17.0831 17.0831 17.1463 17.1463 17.3188 17.3188 18.6092 18.6092 k = 0.0988 0.1711-0.0000 ( 2087 PWs) bands (ev): 1.2588 1.2588 5.0587 5.0587 7.8630 7.8630 9.0203 9.0203 9.2896 9.2896 9.5338 9.5338 10.3988 10.3988 10.6157 10.6157 10.7855 10.7855 10.8891 10.8891 11.0184 11.0184 11.1478 11.1478 12.1601 12.1601 12.2904 12.2904 12.3866 12.3866 12.7479 12.7479 12.8510 12.8510 12.8959 12.8959 12.9305 12.9305 13.1583 13.1583 13.5225 13.5225 13.6289 13.6289 14.2384 14.2384 14.8182 14.8182 14.8695 14.8695 17.0981 17.0981 17.2050 17.2050 17.3613 17.3613 18.5833 18.5833 k = 0.0926 0.1604-0.0000 ( 2087 PWs) bands (ev): 1.2148 1.2148 5.0552 5.0552 7.8286 7.8286 9.0389 9.0389 9.2874 9.2874 9.5868 9.5868 10.3900 10.3900 10.6245 10.6245 10.7746 10.7746 10.9034 10.9034 10.9907 10.9907 11.1471 11.1471 12.1679 12.1679 12.2930 12.2930 12.4045 12.4045 12.7665 12.7665 12.8653 12.8653 12.9002 12.9002 12.9349 12.9349 13.1606 13.1606 13.5379 13.5379 13.6326 13.6326 14.2495 14.2495 14.9410 14.9410 15.0007 15.0007 17.1005 17.1005 17.2644 17.2644 17.4051 17.4051 18.5592 18.5592 k = 0.0864 0.1497-0.0000 ( 2087 PWs) bands (ev): 1.1735 1.1735 5.0513 5.0513 7.7963 7.7963 9.0558 9.0558 9.2781 9.2781 9.6459 9.6459 10.3812 10.3812 10.6328 10.6328 10.7641 10.7641 10.9202 10.9202 10.9624 10.9624 11.1468 11.1468 12.1752 12.1752 12.2956 12.2956 12.4206 12.4206 12.7847 12.7847 12.8794 12.8794 12.9045 12.9045 12.9388 12.9388 13.1618 13.1618 13.5526 13.5526 13.6366 13.6366 14.2602 14.2602 15.0650 15.0650 15.1371 15.1371 17.0956 17.0956 17.3173 17.3173 17.4520 17.4520 18.5357 18.5357 k = 0.0802 0.1390-0.0000 ( 2091 PWs) bands (ev): 1.1349 1.1349 5.0471 5.0471 7.7660 7.7660 9.0709 9.0709 9.2656 9.2656 9.7070 9.7070 10.3726 10.3726 10.6402 10.6402 10.7540 10.7540 10.9300 10.9300 10.9423 10.9423 11.1466 11.1466 12.1820 12.1820 12.2981 12.2981 12.4349 12.4349 12.8021 12.8021 12.8927 12.8927 12.9092 12.9092 12.9424 12.9424 13.1621 13.1621 13.5665 13.5665 13.6406 13.6406 14.2707 14.2707 15.1910 15.1910 15.2779 15.2779 17.0855 17.0855 17.3610 17.3610 17.5028 17.5028 18.5114 18.5114 k = 0.0741 0.1283-0.0000 ( 2091 PWs) bands (ev): 1.0992 1.0992 5.0427 5.0427 7.7379 7.7379 9.0847 9.0847 9.2520 9.2520 9.7684 9.7684 10.3639 10.3639 10.6472 10.6472 10.7443 10.7443 10.9023 10.9023 10.9611 10.9611 11.1465 11.1465 12.1882 12.1882 12.3008 12.3008 12.4476 12.4476 12.8189 12.8189 12.9032 12.9032 12.9163 12.9163 12.9457 12.9457 13.1614 13.1614 13.5794 13.5794 13.6448 13.6448 14.2807 14.2807 15.3195 15.3195 15.4223 15.4223 17.0716 17.0716 17.3958 17.3958 17.5558 17.5558 18.4844 18.4844 k = 0.0679 0.1176-0.0000 ( 2091 PWs) bands (ev): 1.0662 1.0662 5.0383 5.0383 7.7119 7.7119 9.0968 9.0968 9.2381 9.2381 9.8291 9.8291 10.3556 10.3556 10.6533 10.6533 10.7352 10.7352 10.8721 10.8721 10.9828 10.9828 11.1465 11.1465 12.1938 12.1938 12.3035 12.3035 12.4590 12.4590 12.8348 12.8348 12.9090 12.9090 12.9275 12.9275 12.9487 12.9487 13.1598 13.1598 13.5914 13.5914 13.6491 13.6491 14.2903 14.2903 15.4506 15.4506 15.5698 15.5698 17.0551 17.0551 17.4234 17.4234 17.6075 17.6075 18.4524 18.4524 k = 0.0617 0.1069-0.0000 ( 2091 PWs) bands (ev): 1.0360 1.0360 5.0338 5.0338 7.6880 7.6880 9.1075 9.1075 9.2247 9.2247 9.8883 9.8883 10.3476 10.3476 10.6589 10.6589 10.7265 10.7265 10.8414 10.8414 11.0052 11.0052 11.1467 11.1467 12.1987 12.1987 12.3063 12.3063 12.4689 12.4689 12.8498 12.8498 12.9124 12.9124 12.9404 12.9404 12.9515 12.9515 13.1574 13.1574 13.6022 13.6022 13.6534 13.6534 14.2993 14.2993 15.5841 15.5841 15.7201 15.7201 17.0372 17.0372 17.4455 17.4455 17.6546 17.6546 18.4123 18.4123 k = 0.0556 0.0962-0.0000 ( 2079 PWs) bands (ev): 1.0086 1.0086 5.0296 5.0296 7.6664 7.6664 9.1169 9.1169 9.2121 9.2121 9.9460 9.9460 10.3402 10.3402 10.6639 10.6639 10.7182 10.7182 10.8107 10.8107 11.0276 11.0276 11.1470 11.1470 12.2031 12.2031 12.3092 12.3092 12.4776 12.4776 12.8638 12.8638 12.9150 12.9150 12.9534 12.9534 12.9544 12.9544 13.1542 13.1542 13.6120 13.6120 13.6577 13.6577 14.3076 14.3076 15.7200 15.7200 15.8728 15.8728 17.0188 17.0188 17.4635 17.4635 17.6936 17.6936 18.3603 18.3603 k = 0.0494 0.0855-0.0000 ( 2079 PWs) bands (ev): 0.9840 0.9840 5.0255 5.0255 7.6470 7.6470 9.1249 9.1249 9.2005 9.2005 10.0016 10.0016 10.3332 10.3332 10.6679 10.6679 10.7099 10.7099 10.7805 10.7805 11.0491 11.0491 11.1473 11.1473 12.2068 12.2068 12.3120 12.3120 12.4852 12.4852 12.8767 12.8767 12.9168 12.9168 12.9571 12.9571 12.9659 12.9659 13.1504 13.1504 13.6205 13.6205 13.6620 13.6620 14.3153 14.3153 15.8578 15.8578 16.0274 16.0274 17.0013 17.0013 17.4779 17.4779 17.7217 17.7217 18.2921 18.2921 k = 0.0432 0.0748-0.0000 ( 2079 PWs) bands (ev): 0.9624 0.9624 5.0217 5.0217 7.6299 7.6299 9.1317 9.1317 9.1900 9.1900 10.0548 10.0548 10.3270 10.3270 10.6704 10.6704 10.7010 10.7010 10.7521 10.7521 11.0693 11.0693 11.1477 11.1477 12.2099 12.2099 12.3146 12.3146 12.4916 12.4916 12.8884 12.8884 12.9182 12.9182 12.9598 12.9598 12.9776 12.9776 13.1460 13.1460 13.6277 13.6277 13.6662 13.6662 14.3222 14.3222 15.9969 15.9969 16.1835 16.1835 16.9856 16.9856 17.4892 17.4892 17.7356 17.7356 18.2044 18.2044 k = 0.0370 0.0642-0.0000 ( 2075 PWs) bands (ev): 0.9435 0.9435 5.0183 5.0183 7.6150 7.6150 9.1374 9.1374 9.1808 9.1808 10.1055 10.1055 10.3216 10.3216 10.6689 10.6689 10.6908 10.6908 10.7291 10.7291 11.0877 11.0877 11.1484 11.1484 12.2126 12.2126 12.3172 12.3172 12.4971 12.4971 12.8988 12.8988 12.9194 12.9194 12.9626 12.9626 12.9883 12.9883 13.1412 13.1412 13.6338 13.6338 13.6703 13.6703 14.3283 14.3283 16.1363 16.1363 16.3403 16.3403 16.9734 16.9734 17.4974 17.4974 17.7327 17.7327 18.0970 18.0970 k = 0.0309 0.0535-0.0000 ( 2089 PWs) bands (ev): 0.9276 0.9276 5.0153 5.0153 7.6023 7.6023 9.1417 9.1417 9.1731 9.1731 10.1528 10.1528 10.3173 10.3173 10.6547 10.6547 10.6849 10.6849 10.7146 10.7146 11.1034 11.1034 11.1493 11.1493 12.2146 12.2146 12.3193 12.3193 12.5016 12.5016 12.9076 12.9076 12.9201 12.9201 12.9652 12.9652 12.9978 12.9978 13.1362 13.1362 13.6385 13.6385 13.6738 13.6738 14.3334 14.3334 16.2737 16.2737 16.4970 16.4970 16.9667 16.9667 17.5022 17.5022 17.7106 17.7106 17.9731 17.9731 k = 0.0247 0.0428-0.0000 ( 2095 PWs) bands (ev): 0.9145 0.9145 5.0127 5.0127 7.5920 7.5920 9.1449 9.1449 9.1669 9.1669 10.1962 10.1962 10.3142 10.3142 10.6297 10.6297 10.6842 10.6842 10.7069 10.7069 11.1161 11.1161 11.1508 11.1508 12.2161 12.2161 12.3211 12.3211 12.5052 12.5052 12.9149 12.9149 12.9206 12.9206 12.9679 12.9679 13.0061 13.0061 13.1314 13.1314 13.6423 13.6423 13.6771 13.6771 14.3378 14.3378 16.4054 16.4054 16.6525 16.6525 16.9692 16.9692 17.5016 17.5016 17.6689 17.6689 17.8385 17.8385 k = 0.0185 0.0321-0.0000 ( 2095 PWs) bands (ev): 0.9044 0.9044 5.0107 5.0107 7.5839 7.5839 9.1470 9.1470 9.1626 9.1626 10.2338 10.2338 10.3131 10.3131 10.6025 10.6025 10.6844 10.6844 10.7029 10.7029 11.1254 11.1254 11.1530 11.1530 12.2174 12.2174 12.3226 12.3226 12.5081 12.5081 12.9205 12.9205 12.9211 12.9211 12.9703 12.9703 13.0129 13.0129 13.1269 13.1269 13.6452 13.6452 13.6798 13.6798 14.3413 14.3413 16.5238 16.5238 16.8051 16.8051 16.9877 16.9877 17.4892 17.4892 17.6100 17.6100 17.7034 17.7034 k = 0.0123 0.0214-0.0000 ( 2101 PWs) bands (ev): 0.8971 0.8971 5.0093 5.0093 7.5782 7.5782 9.1477 9.1477 9.1601 9.1601 10.2621 10.2621 10.3156 10.3156 10.5777 10.5777 10.6843 10.6843 10.7007 10.7007 11.1310 11.1310 11.1557 11.1557 12.2183 12.2183 12.3237 12.3237 12.5100 12.5100 12.9211 12.9211 12.9246 12.9246 12.9722 12.9722 13.0180 13.0180 13.1233 13.1233 13.6471 13.6471 13.6818 13.6818 14.3437 14.3437 16.6162 16.6162 16.9516 16.9516 17.0326 17.0326 17.4455 17.4455 17.5245 17.5245 17.6046 17.6046 k = 0.0062 0.0107-0.0000 ( 2093 PWs) bands (ev): 0.8928 0.8928 5.0084 5.0084 7.5747 7.5747 9.1477 9.1477 9.1592 9.1592 10.2773 10.2773 10.3220 10.3220 10.5596 10.5596 10.6843 10.6843 10.6997 10.6997 11.1339 11.1339 11.1580 11.1580 12.2188 12.2188 12.3245 12.3245 12.5114 12.5114 12.9212 12.9212 12.9269 12.9269 12.9736 12.9736 13.0213 13.0213 13.1210 13.1210 13.6483 13.6483 13.6831 13.6831 14.3455 14.3455 16.6711 16.6711 17.0845 17.0845 17.1101 17.1101 17.3597 17.3597 17.4074 17.4074 17.5743 17.5743 k = 0.0000 0.0000 0.0000 ( 2101 PWs) bands (ev): 0.8913 0.8913 5.0081 5.0081 7.5735 7.5735 9.1475 9.1475 9.1589 9.1589 10.2813 10.2813 10.3259 10.3259 10.5527 10.5527 10.6841 10.6841 10.6994 10.6994 11.1347 11.1347 11.1589 11.1589 12.2190 12.2190 12.3247 12.3247 12.5117 12.5117 12.9213 12.9213 12.9277 12.9277 12.9740 12.9740 13.0223 13.0223 13.1201 13.1201 13.6486 13.6486 13.6834 13.6834 14.3458 14.3458 16.6884 16.6884 17.1633 17.1633 17.1756 17.1756 17.2877 17.2877 17.3339 17.3339 17.5685 17.5685 k = 0.0000 0.0000 0.0000 ( 2101 PWs) bands (ev): 0.8913 0.8913 5.0081 5.0081 7.5735 7.5735 9.1475 9.1475 9.1589 9.1589 10.2813 10.2813 10.3259 10.3259 10.5527 10.5527 10.6841 10.6841 10.6994 10.6994 11.1347 11.1347 11.1589 11.1589 12.2190 12.2190 12.3247 12.3247 12.5117 12.5117 12.9213 12.9213 12.9277 12.9277 12.9740 12.9740 13.0223 13.0223 13.1201 13.1201 13.6486 13.6486 13.6834 13.6834 14.3458 14.3458 16.6884 16.6884 17.1633 17.1633 17.1756 17.1756 17.2877 17.2877 17.3339 17.3339 17.5685 17.5685 k = 0.0000 0.0000 0.0121 ( 2113 PWs) bands (ev): 0.8927 0.8927 5.0012 5.0012 7.5799 7.5799 9.1478 9.1478 9.1592 9.1592 10.2787 10.2787 10.3229 10.3229 10.5530 10.5530 10.6861 10.6861 10.7016 10.7016 11.1345 11.1345 11.1587 11.1587 12.2200 12.2200 12.3255 12.3255 12.5106 12.5106 12.9213 12.9213 12.9276 12.9276 12.9739 12.9739 13.0221 13.0221 13.1208 13.1208 13.6479 13.6479 13.6826 13.6826 14.3468 14.3468 16.6890 16.6890 17.1638 17.1638 17.1760 17.1760 17.2885 17.2885 17.3355 17.3355 17.5618 17.5618 k = 0.0000 0.0000 0.0243 ( 2113 PWs) bands (ev): 0.8970 0.8970 4.9808 4.9808 7.5989 7.5989 9.1488 9.1488 9.1601 9.1601 10.2713 10.2713 10.3143 10.3143 10.5542 10.5542 10.6922 10.6922 10.7084 10.7084 11.1343 11.1343 11.1583 11.1583 12.2232 12.2232 12.3283 12.3283 12.5082 12.5082 12.9213 12.9213 12.9277 12.9277 12.9737 12.9737 13.0218 13.0218 13.1231 13.1231 13.6459 13.6459 13.6804 13.6804 14.3511 14.3511 16.6908 16.6908 17.1653 17.1653 17.1773 17.1773 17.2907 17.2907 17.3405 17.3405 17.5425 17.5425 k = 0.0000 0.0000 0.0364 ( 2113 PWs) bands (ev): 0.9042 0.9042 4.9476 4.9476 7.6299 7.6299 9.1505 9.1505 9.1618 9.1618 10.2593 10.2593 10.3006 10.3006 10.5560 10.5560 10.7019 10.7019 10.7192 10.7192 11.1340 11.1340 11.1577 11.1577 12.2285 12.2285 12.3328 12.3328 12.5041 12.5041 12.9214 12.9214 12.9278 12.9278 12.9733 12.9733 13.0212 13.0212 13.1265 13.1265 13.6426 13.6426 13.6766 13.6766 14.3583 14.3583 16.6939 16.6939 17.1677 17.1677 17.1794 17.1794 17.2934 17.2934 17.3486 17.3486 17.5129 17.5129 k = 0.0000 0.0000 0.0485 ( 2107 PWs) bands (ev): 0.9142 0.9142 4.9025 4.9025 7.6718 7.6718 9.1529 9.1529 9.1642 9.1642 10.2436 10.2436 10.2827 10.2827 10.5584 10.5584 10.7147 10.7147 10.7332 10.7332 11.1335 11.1335 11.1570 11.1570 12.2359 12.2359 12.3390 12.3390 12.4984 12.4984 12.9216 12.9216 12.9280 12.9280 12.9729 12.9729 13.0204 13.0204 13.1310 13.1310 13.6382 13.6382 13.6715 13.6715 14.3688 14.3688 16.6982 16.6982 17.1712 17.1712 17.1823 17.1823 17.2943 17.2943 17.3601 17.3601 17.4773 17.4773 k = 0.0000 0.0000 0.0607 ( 2095 PWs) bands (ev): 0.9270 0.9270 4.8468 4.8468 7.7235 7.7235 9.1561 9.1561 9.1673 9.1673 10.2247 10.2247 10.2616 10.2616 10.5610 10.5610 10.7297 10.7297 10.7496 10.7496 11.1331 11.1331 11.1562 11.1562 12.2457 12.2457 12.3474 12.3474 12.4913 12.4913 12.9218 12.9218 12.9283 12.9283 12.9723 12.9723 13.0196 13.0196 13.1361 13.1361 13.6323 13.6323 13.6648 13.6648 14.3828 14.3828 16.7041 16.7041 17.1756 17.1756 17.1861 17.1861 17.2878 17.2878 17.3747 17.3747 17.4435 17.4435 k = 0.0000 0.0000 0.0728 ( 2089 PWs) bands (ev): 0.9427 0.9427 4.7817 4.7817 7.7836 7.7836 9.1598 9.1598 9.1709 9.1709 10.2032 10.2032 10.2378 10.2378 10.5638 10.5638 10.7465 10.7465 10.7676 10.7676 11.1325 11.1325 11.1551 11.1551 12.2572 12.2572 12.3571 12.3571 12.4828 12.4828 12.9221 12.9221 12.9286 12.9286 12.9717 12.9717 13.0186 13.0186 13.1412 13.1412 13.6251 13.6251 13.6566 13.6566 14.4007 14.4007 16.7114 16.7114 17.1811 17.1811 17.1908 17.1908 17.2646 17.2646 17.3925 17.3925 17.4227 17.4227 k = 0.0000 0.0000 0.0849 ( 2089 PWs) bands (ev): 0.9612 0.9612 4.7086 4.7086 7.8509 7.8509 9.1642 9.1642 9.1752 9.1752 10.1797 10.1797 10.2121 10.2121 10.5666 10.5666 10.7643 10.7643 10.7867 10.7867 11.1318 11.1318 11.1538 11.1538 12.2705 12.2705 12.3684 12.3684 12.4730 12.4730 12.9225 12.9225 12.9289 12.9289 12.9709 12.9709 13.0174 13.0174 13.1458 13.1458 13.6166 13.6166 13.6470 13.6470 14.4228 14.4228 16.7205 16.7205 17.1875 17.1875 17.1963 17.1963 17.2211 17.2211 17.4134 17.4134 17.4204 17.4204 k = 0.0000 0.0000 0.0971 ( 2077 PWs) bands (ev): 0.9826 0.9826 4.6287 4.6287 7.9242 7.9242 9.1694 9.1694 9.1802 9.1802 10.1546 10.1546 10.1848 10.1848 10.5693 10.5693 10.7830 10.7830 10.8066 10.8066 11.1309 11.1309 11.1524 11.1524 12.2858 12.2858 12.3813 12.3813 12.4621 12.4621 12.9230 12.9230 12.9293 12.9293 12.9701 12.9701 13.0161 13.0161 13.1497 13.1497 13.6070 13.6070 13.6360 13.6360 14.4496 14.4496 16.7315 16.7315 17.1639 17.1639 17.1950 17.1950 17.2027 17.2027 17.4315 17.4315 17.4374 17.4374 k = 0.0000 0.0000 0.1092 ( 2089 PWs) bands (ev): 1.0068 1.0068 4.5431 4.5431 8.0023 8.0023 9.1752 9.1752 9.1859 9.1859 10.1282 10.1282 10.1564 10.1564 10.5717 10.5717 10.8019 10.8019 10.8265 10.8265 11.1299 11.1299 11.1508 11.1508 12.3025 12.3025 12.3955 12.3955 12.4502 12.4502 12.9231 12.9231 12.9294 12.9294 12.9690 12.9690 13.0144 13.0144 13.1520 13.1520 13.5961 13.5961 13.6235 13.6235 14.4814 14.4814 16.7446 16.7446 17.0995 17.0995 17.2035 17.2035 17.2099 17.2099 17.4505 17.4505 17.4643 17.4643 k = 0.0000 0.0000 0.1213 ( 2089 PWs) bands (ev): 1.0338 1.0338 4.4528 4.4528 8.0843 8.0843 9.1817 9.1817 9.1922 9.1922 10.1009 10.1009 10.1272 10.1272 10.5735 10.5735 10.8210 10.8210 10.8465 10.8465 11.1289 11.1289 11.1493 11.1493 12.3212 12.3212 12.4114 12.4114 12.4376 12.4376 12.9237 12.9237 12.9296 12.9296 12.9681 12.9681 13.0126 13.0126 13.1524 13.1524 13.5839 13.5839 13.6096 13.6096 14.5183 14.5183 16.7602 16.7602 17.0318 17.0318 17.2130 17.2130 17.2181 17.2181 17.4747 17.4747 17.4941 17.4941 k = 0.0000 0.0000 0.1334 ( 2089 PWs) bands (ev): 1.0636 1.0636 4.3588 4.3588 8.1693 8.1693 9.1889 9.1889 9.1992 9.1992 10.0730 10.0730 10.0973 10.0973 10.5745 10.5745 10.8400 10.8400 10.8662 10.8662 11.1279 11.1279 11.1476 11.1476 12.3415 12.3415 12.4246 12.4246 12.4287 12.4287 12.9245 12.9245 12.9298 12.9298 12.9672 12.9672 13.0105 13.0105 13.1506 13.1506 13.5705 13.5705 13.5943 13.5943 14.5606 14.5606 16.7786 16.7786 16.9625 16.9625 17.2235 17.2235 17.2271 17.2271 17.5028 17.5028 17.5265 17.5265 k = 0.0000 0.0000 0.1456 ( 2078 PWs) bands (ev): 1.0962 1.0962 4.2618 4.2618 8.2566 8.2566 9.1968 9.1968 9.2069 9.2069 10.0446 10.0446 10.0671 10.0671 10.5743 10.5743 10.8590 10.8590 10.8857 10.8857 11.1269 11.1269 11.1461 11.1461 12.3634 12.3634 12.4113 12.4113 12.4474 12.4474 12.9254 12.9254 12.9301 12.9301 12.9665 12.9665 13.0080 13.0080 13.1464 13.1464 13.5560 13.5560 13.5777 13.5777 14.6083 14.6083 16.8002 16.8002 16.8931 16.8931 17.2352 17.2352 17.2370 17.2370 17.5340 17.5340 17.5615 17.5615 k = 0.0000 0.0000 0.1577 ( 2096 PWs) bands (ev): 1.1316 1.1316 4.1625 4.1625 8.3455 8.3455 9.2053 9.2053 9.2151 9.2151 10.0156 10.0156 10.0365 10.0365 10.5727 10.5727 10.8772 10.8772 10.9044 10.9044 11.1257 11.1257 11.1444 11.1444 12.3863 12.3863 12.3981 12.3981 12.4668 12.4668 12.9262 12.9262 12.9300 12.9300 12.9657 12.9657 13.0051 13.0051 13.1393 13.1393 13.5401 13.5401 13.5596 13.5596 14.6612 14.6612 16.8242 16.8242 16.8253 16.8253 17.2478 17.2478 17.2478 17.2478 17.5678 17.5678 17.5987 17.5987 k = 0.0000 0.0000 0.1698 ( 2096 PWs) bands (ev): 1.1697 1.1697 4.0615 4.0615 8.4355 8.4355 9.2146 9.2146 9.2242 9.2242 9.9866 9.9866 10.0058 10.0058 10.5696 10.5696 10.8949 10.8949 10.9225 10.9225 11.1246 11.1246 11.1428 11.1428 12.3854 12.3854 12.4108 12.4108 12.4877 12.4877 12.9273 12.9273 12.9299 12.9299 12.9653 12.9653 13.0015 13.0015 13.1298 13.1298 13.5234 13.5234 13.5403 13.5403 14.7190 14.7190 16.7564 16.7564 16.8545 16.8545 17.2595 17.2595 17.2615 17.2615 17.6035 17.6035 17.6379 17.6379 k = 0.0000 0.0000 0.1820 ( 2084 PWs) bands (ev): 1.2106 1.2106 3.9592 3.9592 8.5263 8.5263 9.2247 9.2247 9.2339 9.2339 9.9575 9.9575 9.9751 9.9751 10.5649 10.5649 10.9121 10.9121 10.9399 10.9399 11.1235 11.1235 11.1412 11.1412 12.3735 12.3735 12.4368 12.4368 12.5098 12.5098 12.9288 12.9288 12.9298 12.9298 12.9652 12.9652 12.9969 12.9969 13.1182 13.1182 13.5057 13.5057 13.5200 13.5200 14.7812 14.7812 16.6900 16.6900 16.8883 16.8883 17.2722 17.2722 17.2763 17.2763 17.6407 17.6407 17.6785 17.6785 k = 0.0000 0.0000 0.1941 ( 2084 PWs) bands (ev): 1.2543 1.2543 3.8561 3.8561 8.6173 8.6173 9.2354 9.2354 9.2444 9.2444 9.9283 9.9283 9.9445 9.9445 10.5574 10.5574 10.9286 10.9286 10.9564 10.9564 11.1224 11.1224 11.1396 11.1396 12.3627 12.3627 12.4636 12.4636 12.5326 12.5326 12.9293 12.9293 12.9301 12.9301 12.9654 12.9654 12.9911 12.9911 13.1046 13.1046 13.4868 13.4868 13.4983 13.4983 14.8471 14.8471 16.6255 16.6255 16.9274 16.9274 17.2858 17.2858 17.2922 17.2922 17.6786 17.6786 17.7198 17.7198 k = 0.0000 0.0000 0.2062 ( 2090 PWs) bands (ev): 1.3006 1.3006 3.7525 3.7525 8.7083 8.7083 9.2469 9.2469 9.2555 9.2555 9.8992 9.8992 9.9139 9.9139 10.5472 10.5472 10.9443 10.9443 10.9721 10.9721 11.1211 11.1211 11.1380 11.1380 12.3535 12.3535 12.4914 12.4914 12.5561 12.5561 12.9285 12.9285 12.9316 12.9316 12.9660 12.9660 12.9831 12.9831 13.0898 13.0898 13.4670 13.4670 13.4754 13.4754 14.9159 14.9159 16.5629 16.5629 16.9724 16.9724 17.3003 17.3003 17.3092 17.3092 17.7160 17.7160 17.7611 17.7611 k = 0.0000 0.0000 0.2184 ( 2078 PWs) bands (ev): 1.3497 1.3497 3.6489 3.6489 8.7990 8.7990 9.2594 9.2594 9.2676 9.2676 9.8703 9.8703 9.8837 9.8837 10.5339 10.5339 10.9597 10.9597 10.9874 10.9874 11.1202 11.1202 11.1368 11.1368 12.3463 12.3463 12.5201 12.5201 12.5803 12.5803 12.9275 12.9275 12.9333 12.9333 12.9672 12.9672 12.9724 12.9724 13.0754 13.0754 13.4463 13.4463 13.4515 13.4515 14.9868 14.9868 16.5024 16.5024 17.0241 17.0241 17.3158 17.3158 17.3272 17.3272 17.7515 17.7515 17.8009 17.8009 k = 0.0000 0.0000 0.2305 ( 2078 PWs) bands (ev): 1.4014 1.4014 3.5455 3.5455 8.8891 8.8891 9.2724 9.2724 9.2801 9.2801 9.8416 9.8416 9.8536 9.8536 10.5173 10.5173 10.9739 10.9739 11.0013 11.0013 11.1190 11.1190 11.1353 11.1353 12.3412 12.3412 12.5495 12.5495 12.6050 12.6050 12.9262 12.9262 12.9350 12.9350 12.9580 12.9580 12.9690 12.9690 13.0623 13.0623 13.4246 13.4246 13.4265 13.4265 15.0589 15.0589 16.4440 16.4440 17.0831 17.0831 17.3324 17.3324 17.3464 17.3464 17.7833 17.7833 17.8376 17.8376 k = 0.0000 0.0000 0.2426 ( 2084 PWs) bands (ev): 1.4557 1.4557 3.4425 3.4425 8.9784 8.9784 9.2861 9.2861 9.2934 9.2934 9.8132 9.8132 9.8239 9.8239 10.4969 10.4969 10.9872 10.9872 11.0143 11.0143 11.1177 11.1177 11.1339 11.1339 12.3383 12.3383 12.5794 12.5794 12.6301 12.6301 12.9245 12.9245 12.9367 12.9367 12.9394 12.9394 12.9714 12.9714 13.0513 13.0513 13.4006 13.4006 13.4022 13.4022 15.1312 15.1312 16.3878 16.3878 17.1500 17.1500 17.3499 17.3499 17.3667 17.3667 17.8091 17.8091 17.8689 17.8689 k = 0.0000 0.0000 0.2548 ( 2084 PWs) bands (ev): 1.5127 1.5127 3.3401 3.3401 9.0668 9.0668 9.3007 9.3007 9.3074 9.3074 9.7851 9.7851 9.7945 9.7945 10.4727 10.4727 10.9998 10.9998 11.0265 11.0265 11.1164 11.1164 11.1324 11.1324 12.3386 12.3386 12.6097 12.6097 12.6553 12.6553 12.9168 12.9168 12.9224 12.9224 12.9385 12.9385 12.9746 12.9746 13.0426 13.0426 13.3737 13.3737 13.3790 13.3790 15.2029 15.2029 16.3336 16.3336 17.2255 17.2255 17.3686 17.3686 17.3880 17.3880 17.8267 17.8267 17.8924 17.8924 k = 0.0000 0.0000 0.2669 ( 2084 PWs) bands (ev): 1.5722 1.5722 3.2387 3.2387 9.1540 9.1540 9.3162 9.3162 9.3220 9.3220 9.7573 9.7573 9.7656 9.7656 10.4444 10.4444 11.0115 11.0115 11.0377 11.0377 11.1149 11.1149 11.1310 11.1310 12.3420 12.3420 12.6398 12.6398 12.6805 12.6805 12.8912 12.8912 12.9201 12.9201 12.9403 12.9403 12.9786 12.9786 13.0360 13.0360 13.3459 13.3459 13.3551 13.3551 15.2732 15.2732 16.2815 16.2815 17.3095 17.3095 17.3888 17.3888 17.4105 17.4105 17.8348 17.8348 17.9060 17.9060 k = 0.0000 0.0000 0.2790 ( 2072 PWs) bands (ev): 1.6344 1.6344 3.1382 3.1382 9.2395 9.2395 9.3331 9.3331 9.3374 9.3374 9.7300 9.7300 9.7371 9.7371 10.4121 10.4121 11.0225 11.0225 11.0483 11.0483 11.1134 11.1134 11.1295 11.1295 12.3490 12.3490 12.6692 12.6692 12.7054 12.7054 12.8641 12.8641 12.9176 12.9176 12.9422 12.9422 12.9837 12.9837 13.0311 13.0311 13.3175 13.3175 13.3307 13.3307 15.3413 15.3413 16.2313 16.2313 17.3938 17.3938 17.4194 17.4194 17.4340 17.4340 17.8335 17.8335 17.9091 17.9091 k = 0.0000 0.0000 0.2912 ( 2060 PWs) bands (ev): 1.6991 1.6991 3.0390 3.0390 9.3196 9.3196 9.3536 9.3536 9.3548 9.3548 9.7032 9.7032 9.7091 9.7091 10.3755 10.3755 11.0328 11.0328 11.0579 11.0579 11.1117 11.1117 11.1280 11.1280 12.3588 12.3588 12.6963 12.6963 12.7297 12.7297 12.8373 12.8373 12.9146 12.9146 12.9439 12.9439 12.9903 12.9903 13.0276 13.0276 13.2886 13.2886 13.3059 13.3059 15.4067 15.4067 16.1828 16.1828 17.4262 17.4262 17.4587 17.4587 17.5126 17.5126 17.8239 17.8239 17.9023 17.9023 k = 0.0000 0.0000 0.3033 ( 2060 PWs) bands (ev): 1.7662 1.7662 2.9411 2.9411 9.3608 9.3608 9.3704 9.3704 9.4145 9.4145 9.6768 9.6768 9.6817 9.6817 10.3347 10.3347 11.0421 11.0421 11.0666 11.0666 11.1098 11.1098 11.1263 11.1263 12.3717 12.3717 12.7160 12.7160 12.7531 12.7531 12.8160 12.8160 12.9112 12.9112 12.9454 12.9454 12.9979 12.9979 13.0250 13.0250 13.2590 13.2590 13.2805 13.2805 15.4692 15.4692 16.1358 16.1358 17.4494 17.4494 17.4843 17.4843 17.6259 17.6259 17.8080 17.8080 17.8873 17.8873 k = 0.0000 0.0000 0.3154 ( 2060 PWs) bands (ev): 1.8358 1.8358 2.8446 2.8446 9.3811 9.3811 9.3880 9.3880 9.4941 9.4941 9.6509 9.6509 9.6548 9.6548 10.2898 10.2898 11.0507 11.0507 11.0745 11.0745 11.1077 11.1077 11.1244 11.1244 12.3878 12.3878 12.7175 12.7175 12.7754 12.7754 12.8117 12.8117 12.9074 12.9074 12.9466 12.9466 13.0072 13.0072 13.0235 13.0235 13.2291 13.2291 13.2549 13.2549 15.5285 15.5285 16.0902 16.0902 17.4727 17.4727 17.5110 17.5110 17.7493 17.7493 17.7874 17.7874 17.8663 17.8663 k = 0.0000 0.0000 0.3275 ( 2054 PWs) bands (ev): 1.9079 1.9079 2.7498 2.7498 9.4006 9.4006 9.4062 9.4062 9.5737 9.5737 9.6256 9.6256 9.6285 9.6285 10.2409 10.2409 11.0587 11.0587 11.0819 11.0819 11.1055 11.1055 11.1225 11.1225 12.4069 12.4069 12.6980 12.6980 12.7960 12.7960 12.8271 12.8271 12.9032 12.9032 12.9475 12.9475 13.0184 13.0184 13.0232 13.0232 13.1990 13.1990 13.2292 13.2292 15.5847 15.5847 16.0457 16.0457 17.4968 17.4968 17.5387 17.5387 17.7638 17.7638 17.8410 17.8410 17.8822 17.8822 k = 0.0000 0.0000 0.3397 ( 2054 PWs) bands (ev): 1.9823 1.9823 2.6566 2.6566 9.4204 9.4204 9.4252 9.4252 9.6008 9.6008 9.6027 9.6027 9.6517 9.6517 10.1881 10.1881 11.0659 11.0659 11.0883 11.0883 11.1028 11.1028 11.1203 11.1203 12.4288 12.4288 12.6690 12.6690 12.8148 12.8148 12.8505 12.8505 12.8982 12.8982 12.9476 12.9476 13.0246 13.0246 13.0317 13.0317 13.1691 13.1691 13.2036 13.2036 15.6380 15.6380 16.0020 16.0020 17.5217 17.5217 17.5673 17.5673 17.7381 17.7381 17.8128 17.8128 18.0237 18.0237 k = 0.0000 0.0000 0.3518 ( 2054 PWs) bands (ev): 2.0590 2.0590 2.5652 2.5652 9.4409 9.4409 9.4448 9.4448 9.5766 9.5766 9.5776 9.5776 9.7277 9.7277 10.1317 10.1317 11.0724 11.0724 11.0941 11.0941 11.0998 11.0998 11.1178 11.1178 12.4533 12.4533 12.6369 12.6369 12.8315 12.8315 12.8752 12.8752 12.8926 12.8926 12.9467 12.9467 13.0282 13.0282 13.0472 13.0472 13.1399 13.1399 13.1782 13.1782 15.6886 15.6886 15.9587 15.9587 17.5474 17.5474 17.5967 17.5967 17.7111 17.7111 17.7829 17.7829 18.1730 18.1730 k = 0.0000 0.0000 0.3639 ( 2054 PWs) bands (ev): 2.1380 2.1380 2.4757 2.4757 9.4620 9.4620 9.4651 9.4651 9.5530 9.5530 9.5532 9.5532 9.8016 9.8016 10.0719 10.0719 11.0783 11.0783 11.0964 11.0964 11.0993 11.0993 11.1149 11.1149 12.4801 12.4801 12.6040 12.6040 12.8461 12.8461 12.8860 12.8860 12.8979 12.8979 12.9442 12.9442 13.0353 13.0353 13.0648 13.0648 13.1120 13.1120 13.1533 13.1533 15.7369 15.7369 15.9157 15.9157 17.5737 17.5737 17.6269 17.6269 17.6836 17.6836 17.7519 17.7519 18.3290 18.3290 k = 0.0000 0.0000 0.3761 ( 2048 PWs) bands (ev): 2.2193 2.2193 2.3882 2.3882 9.4838 9.4838 9.4861 9.4861 9.5293 9.5293 9.5301 9.5301 9.8738 9.8738 10.0088 10.0088 11.0836 11.0836 11.0926 11.0926 11.1040 11.1040 11.1117 11.1117 12.5090 12.5090 12.5714 12.5714 12.8587 12.8587 12.8783 12.8783 12.9167 12.9167 12.9391 12.9391 13.0472 13.0472 13.0847 13.0847 13.0863 13.0863 13.1292 13.1292 15.7834 15.7834 15.8723 15.8723 17.6006 17.6006 17.6557 17.6557 17.6577 17.6577 17.7205 17.7205 18.4906 18.4906 k = 0.0000 0.0000 0.3882 ( 2048 PWs) bands (ev): 2.3027 2.3027 2.3027 2.3027 9.5062 9.5062 9.5062 9.5062 9.5077 9.5077 9.5077 9.5077 9.9427 9.9427 9.9427 9.9427 11.0883 11.0883 11.0883 11.0883 11.1081 11.1081 11.1081 11.1081 12.5395 12.5395 12.5395 12.5395 12.8693 12.8693 12.8693 12.8693 12.9303 12.9303 12.9303 12.9303 13.0643 13.0643 13.0643 13.0643 13.1062 13.1062 13.1062 13.1062 15.8284 15.8284 15.8284 15.8284 17.6280 17.6280 17.6280 17.6280 17.6890 17.6890 17.6890 17.6890 18.6556 18.6556 k = 0.0000 0.0000 0.3882 ( 2048 PWs) bands (ev): 2.3027 2.3027 2.3027 2.3027 9.5062 9.5062 9.5062 9.5062 9.5077 9.5077 9.5077 9.5077 9.9427 9.9427 9.9427 9.9427 11.0883 11.0883 11.0883 11.0883 11.1081 11.1081 11.1081 11.1081 12.5395 12.5395 12.5395 12.5395 12.8693 12.8693 12.8693 12.8693 12.9303 12.9303 12.9303 12.9303 13.0643 13.0643 13.0643 13.0643 13.1062 13.1062 13.1062 13.1062 15.8284 15.8284 15.8284 15.8284 17.6280 17.6280 17.6280 17.6280 17.6890 17.6890 17.6890 17.6890 18.6556 18.6556 k = 0.0106 0.0061 0.3882 ( 2048 PWs) bands (ev): 2.3040 2.3040 2.3040 2.3040 9.5028 9.5028 9.5028 9.5028 9.5078 9.5078 9.5078 9.5078 9.9446 9.9446 9.9446 9.9446 11.0887 11.0887 11.0887 11.0887 11.1084 11.1084 11.1084 11.1084 12.5393 12.5393 12.5393 12.5393 12.8678 12.8678 12.8678 12.8678 12.9288 12.9288 12.9288 12.9288 13.0646 13.0646 13.0646 13.0646 13.1068 13.1068 13.1068 13.1068 15.8270 15.8270 15.8270 15.8270 17.6163 17.6163 17.6163 17.6163 17.6759 17.6759 17.6759 17.6759 18.6499 18.6499 k = 0.0213 0.0123 0.3882 ( 2048 PWs) bands (ev): 2.3079 2.3079 2.3079 2.3079 9.4913 9.4913 9.4913 9.4913 9.5096 9.5096 9.5096 9.5096 9.9502 9.9502 9.9502 9.9502 11.0897 11.0897 11.0897 11.0897 11.1095 11.1095 11.1095 11.1095 12.5386 12.5386 12.5386 12.5386 12.8634 12.8634 12.8634 12.8634 12.9244 12.9244 12.9244 12.9244 13.0653 13.0653 13.0653 13.0653 13.1084 13.1084 13.1084 13.1084 15.8228 15.8228 15.8228 15.8228 17.5822 17.5822 17.5822 17.5822 17.6384 17.6384 17.6384 17.6384 18.6359 18.6359 k = 0.0319 0.0184 0.3882 ( 2048 PWs) bands (ev): 2.3145 2.3145 2.3145 2.3145 9.4726 9.4726 9.4726 9.4726 9.5127 9.5127 9.5127 9.5127 9.9588 9.9588 9.9588 9.9588 11.0914 11.0914 11.0914 11.0914 11.1113 11.1113 11.1113 11.1113 12.5375 12.5375 12.5375 12.5375 12.8564 12.8564 12.8564 12.8564 12.9173 12.9173 12.9173 12.9173 13.0664 13.0664 13.0664 13.0664 13.1109 13.1109 13.1109 13.1109 15.8155 15.8155 15.8155 15.8155 17.5280 17.5280 17.5280 17.5280 17.5808 17.5808 17.5808 17.5808 18.6193 18.6193 k = 0.0426 0.0246 0.3882 ( 2048 PWs) bands (ev): 2.3236 2.3236 2.3236 2.3236 9.4477 9.4477 9.4477 9.4477 9.5171 9.5171 9.5171 9.5171 9.9698 9.9698 9.9698 9.9698 11.0937 11.0937 11.0937 11.0937 11.1138 11.1138 11.1138 11.1138 12.5357 12.5357 12.5357 12.5357 12.8468 12.8468 12.8468 12.8468 12.9076 12.9076 12.9076 12.9076 13.0676 13.0676 13.0676 13.0676 13.1141 13.1141 13.1141 13.1141 15.8048 15.8048 15.8048 15.8048 17.4573 17.4573 17.4573 17.4573 17.5086 17.5086 17.5086 17.5086 18.6041 18.6041 k = 0.0532 0.0307 0.3882 ( 2048 PWs) bands (ev): 2.3354 2.3354 2.3354 2.3354 9.4173 9.4173 9.4173 9.4173 9.5227 9.5227 9.5227 9.5227 9.9823 9.9823 9.9823 9.9823 11.0966 11.0966 11.0966 11.0966 11.1171 11.1171 11.1171 11.1171 12.5334 12.5334 12.5334 12.5334 12.8350 12.8350 12.8350 12.8350 12.8958 12.8958 12.8958 12.8958 13.0688 13.0688 13.0688 13.0688 13.1177 13.1177 13.1177 13.1177 15.7899 15.7899 15.7899 15.7899 17.3742 17.3742 17.3742 17.3742 17.4269 17.4269 17.4269 17.4269 18.5921 18.5921 k = 0.0638 0.0369 0.3882 ( 2050 PWs) bands (ev): 2.3498 2.3498 2.3498 2.3498 9.3821 9.3821 9.3821 9.3821 9.5295 9.5295 9.5295 9.5295 9.9957 9.9957 9.9957 9.9957 11.0998 11.0998 11.0998 11.0998 11.1212 11.1212 11.1212 11.1212 12.5303 12.5303 12.5303 12.5303 12.8214 12.8214 12.8214 12.8214 12.8820 12.8820 12.8820 12.8820 13.0698 13.0698 13.0698 13.0698 13.1213 13.1213 13.1213 13.1213 15.7702 15.7702 15.7702 15.7702 17.2832 17.2832 17.2832 17.2832 17.3393 17.3393 17.3393 17.3393 18.5837 18.5837 k = 0.0745 0.0430 0.3882 ( 2050 PWs) bands (ev): 2.3667 2.3667 2.3667 2.3667 9.3428 9.3428 9.3428 9.3428 9.5376 9.5376 9.5376 9.5376 10.0093 10.0093 10.0093 10.0093 11.1036 11.1036 11.1036 11.1036 11.1261 11.1261 11.1261 11.1261 12.5264 12.5264 12.5264 12.5264 12.8062 12.8062 12.8062 12.8062 12.8667 12.8667 12.8667 12.8667 13.0705 13.0705 13.0705 13.0705 13.1249 13.1249 13.1249 13.1249 15.7447 15.7447 15.7447 15.7447 17.1891 17.1891 17.1891 17.1891 17.2481 17.2481 17.2481 17.2481 18.5788 18.5788 k = 0.0851 0.0491 0.3882 ( 2058 PWs) bands (ev): 2.3862 2.3862 2.3862 2.3862 9.2997 9.2997 9.2997 9.2997 9.5468 9.5468 9.5468 9.5468 10.0226 10.0226 10.0226 10.0226 11.1076 11.1076 11.1076 11.1076 11.1317 11.1317 11.1317 11.1317 12.5215 12.5215 12.5215 12.5215 12.7895 12.7895 12.7895 12.7895 12.8499 12.8499 12.8499 12.8499 13.0707 13.0707 13.0707 13.0707 13.1281 13.1281 13.1281 13.1281 15.7124 15.7124 15.7124 15.7124 17.0959 17.0959 17.0959 17.0959 17.1549 17.1549 17.1549 17.1549 18.5768 18.5768 k = 0.0957 0.0553 0.3882 ( 2054 PWs) bands (ev): 2.4082 2.4082 2.4082 2.4082 9.2534 9.2534 9.2534 9.2534 9.5574 9.5574 9.5574 9.5574 10.0358 10.0358 10.0358 10.0358 11.1120 11.1120 11.1120 11.1120 11.1381 11.1381 11.1381 11.1381 12.5153 12.5153 12.5153 12.5153 12.7718 12.7718 12.7718 12.7718 12.8321 12.8321 12.8321 12.8321 13.0704 13.0704 13.0704 13.0704 13.1309 13.1309 13.1309 13.1309 15.6722 15.6722 15.6722 15.6722 17.0067 17.0067 17.0067 17.0067 17.0615 17.0615 17.0615 17.0615 18.5777 18.5777 k = 0.1064 0.0614 0.3882 ( 2054 PWs) bands (ev): 2.4328 2.4328 2.4328 2.4328 9.2040 9.2040 9.2040 9.2040 9.5690 9.5690 9.5690 9.5690 10.0483 10.0483 10.0483 10.0483 11.1167 11.1167 11.1167 11.1167 11.1450 11.1450 11.1450 11.1450 12.5079 12.5079 12.5079 12.5079 12.7532 12.7532 12.7532 12.7532 12.8134 12.8134 12.8134 12.8134 13.0697 13.0697 13.0697 13.0697 13.1331 13.1331 13.1331 13.1331 15.6233 15.6233 15.6233 15.6233 16.9228 16.9228 16.9228 16.9228 16.9703 16.9703 16.9703 16.9703 18.5811 18.5811 k = 0.1170 0.0676 0.3882 ( 2066 PWs) bands (ev): 2.4598 2.4598 2.4598 2.4598 9.1518 9.1518 9.1518 9.1518 9.5817 9.5817 9.5817 9.5817 10.0599 10.0599 10.0599 10.0599 11.1214 11.1214 11.1214 11.1214 11.1526 11.1526 11.1526 11.1526 12.4988 12.4988 12.4988 12.4988 12.7338 12.7338 12.7338 12.7338 12.7939 12.7939 12.7939 12.7939 13.0684 13.0684 13.0684 13.0684 13.1343 13.1343 13.1343 13.1343 15.5651 15.5651 15.5651 15.5651 16.8416 16.8416 16.8416 16.8416 16.8865 16.8865 16.8865 16.8865 18.5869 18.5869 k = 0.1277 0.0737 0.3882 ( 2070 PWs) bands (ev): 2.4893 2.4893 2.4893 2.4893 9.0970 9.0970 9.0970 9.0970 9.5957 9.5957 9.5957 9.5957 10.0706 10.0706 10.0706 10.0706 11.1267 11.1267 11.1267 11.1267 11.1606 11.1606 11.1606 11.1606 12.4881 12.4881 12.4881 12.4881 12.7139 12.7139 12.7139 12.7139 12.7740 12.7740 12.7740 12.7740 13.0668 13.0668 13.0668 13.0668 13.1348 13.1348 13.1348 13.1348 15.4978 15.4978 15.4978 15.4978 16.7567 16.7567 16.7567 16.7567 16.8183 16.8183 16.8183 16.8183 18.5950 18.5950 k = 0.1383 0.0798 0.3882 ( 2072 PWs) bands (ev): 2.5213 2.5213 2.5213 2.5213 9.0398 9.0398 9.0398 9.0398 9.6107 9.6107 9.6107 9.6107 10.0803 10.0803 10.0803 10.0803 11.1324 11.1324 11.1324 11.1324 11.1690 11.1690 11.1690 11.1690 12.4754 12.4754 12.4754 12.4754 12.6936 12.6936 12.6936 12.6936 12.7538 12.7538 12.7538 12.7538 13.0648 13.0648 13.0648 13.0648 13.1343 13.1343 13.1343 13.1343 15.4219 15.4219 15.4219 15.4219 16.6680 16.6680 16.6680 16.6680 16.7664 16.7664 16.7664 16.7664 18.6054 18.6054 k = 0.1489 0.0860 0.3882 ( 2068 PWs) bands (ev): 2.5556 2.5556 2.5556 2.5556 8.9802 8.9802 8.9802 8.9802 9.6269 9.6269 9.6269 9.6269 10.0890 10.0890 10.0890 10.0890 11.1383 11.1383 11.1383 11.1383 11.1776 11.1776 11.1776 11.1776 12.4608 12.4608 12.4608 12.4608 12.6731 12.6731 12.6731 12.6731 12.7336 12.7336 12.7336 12.7336 13.0625 13.0625 13.0625 13.0625 13.1329 13.1329 13.1329 13.1329 15.3387 15.3387 15.3387 15.3387 16.5789 16.5789 16.5789 16.5789 16.7275 16.7275 16.7275 16.7275 18.6180 18.6180 k = 0.1596 0.0921 0.3882 ( 2068 PWs) bands (ev): 2.5923 2.5923 2.5923 2.5923 8.9184 8.9184 8.9184 8.9184 9.6442 9.6442 9.6442 9.6442 10.0966 10.0966 10.0966 10.0966 11.1445 11.1445 11.1445 11.1445 11.1862 11.1862 11.1862 11.1862 12.4442 12.4442 12.4442 12.4442 12.6523 12.6523 12.6523 12.6523 12.7135 12.7135 12.7135 12.7135 13.0600 13.0600 13.0600 13.0600 13.1304 13.1304 13.1304 13.1304 15.2496 15.2496 15.2496 15.2496 16.4909 16.4909 16.4909 16.4909 16.6992 16.6992 16.6992 16.6992 18.6328 18.6328 k = 0.1702 0.0983 0.3882 ( 2070 PWs) bands (ev): 2.6313 2.6313 2.6313 2.6313 8.8543 8.8543 8.8543 8.8543 9.6624 9.6624 9.6624 9.6624 10.1031 10.1031 10.1031 10.1031 11.1507 11.1507 11.1507 11.1507 11.1948 11.1948 11.1948 11.1948 12.4256 12.4256 12.4256 12.4256 12.6313 12.6313 12.6313 12.6313 12.6938 12.6938 12.6938 12.6938 13.0572 13.0572 13.0572 13.0572 13.1267 13.1267 13.1267 13.1267 15.1564 15.1564 15.1564 15.1564 16.4049 16.4049 16.4049 16.4049 16.6800 16.6800 16.6800 16.6800 18.6499 18.6499 k = 0.1809 0.1044 0.3882 ( 2074 PWs) bands (ev): 2.6726 2.6726 2.6726 2.6726 8.7882 8.7882 8.7882 8.7882 9.6817 9.6817 9.6817 9.6817 10.1084 10.1084 10.1084 10.1084 11.1574 11.1574 11.1574 11.1574 11.2031 11.2031 11.2031 11.2031 12.4051 12.4051 12.4051 12.4051 12.6100 12.6100 12.6100 12.6100 12.6746 12.6746 12.6746 12.6746 13.0542 13.0542 13.0542 13.0542 13.1220 13.1220 13.1220 13.1220 15.0605 15.0605 15.0605 15.0605 16.3212 16.3212 16.3212 16.3212 16.6684 16.6684 16.6684 16.6684 18.6693 18.6693 k = 0.1915 0.1106 0.3882 ( 2070 PWs) bands (ev): 2.7161 2.7161 2.7161 2.7161 8.7201 8.7201 8.7201 8.7201 9.7021 9.7021 9.7021 9.7021 10.1126 10.1126 10.1126 10.1126 11.1644 11.1644 11.1644 11.1644 11.2112 11.2112 11.2112 11.2112 12.3831 12.3831 12.3831 12.3831 12.5884 12.5884 12.5884 12.5884 12.6562 12.6562 12.6562 12.6562 13.0510 13.0510 13.0510 13.0510 13.1163 13.1163 13.1163 13.1163 14.9634 14.9634 14.9634 14.9634 16.2401 16.2401 16.2401 16.2401 16.6631 16.6631 16.6631 16.6631 18.6910 18.6910 k = 0.2021 0.1167 0.3882 ( 2070 PWs) bands (ev): 2.7617 2.7617 2.7617 2.7617 8.6501 8.6501 8.6501 8.6501 9.7233 9.7233 9.7233 9.7233 10.1157 10.1157 10.1157 10.1157 11.1715 11.1715 11.1715 11.1715 11.2188 11.2188 11.2188 11.2188 12.3597 12.3597 12.3597 12.3597 12.5662 12.5662 12.5662 12.5662 12.6387 12.6387 12.6387 12.6387 13.0475 13.0475 13.0475 13.0475 13.1095 13.1095 13.1095 13.1095 14.8664 14.8664 14.8664 14.8664 16.1618 16.1618 16.1618 16.1618 16.6631 16.6631 16.6631 16.6631 18.7151 18.7151 k = 0.2128 0.1228 0.3882 ( 2070 PWs) bands (ev): 2.8094 2.8094 2.8094 2.8094 8.5782 8.5782 8.5782 8.5782 9.7455 9.7455 9.7455 9.7455 10.1178 10.1178 10.1178 10.1178 11.1788 11.1788 11.1788 11.1788 11.2257 11.2257 11.2257 11.2257 12.3353 12.3353 12.3353 12.3353 12.5436 12.5436 12.5436 12.5436 12.6222 12.6222 12.6222 12.6222 13.0436 13.0436 13.0436 13.0436 13.1020 13.1020 13.1020 13.1020 14.7704 14.7704 14.7704 14.7704 16.0866 16.0866 16.0866 16.0866 16.6673 16.6673 16.6673 16.6673 18.7416 18.7416 k = 0.2234 0.1290 0.3882 ( 2070 PWs) bands (ev): 2.8590 2.8590 2.8590 2.8590 8.5046 8.5046 8.5046 8.5046 9.7684 9.7684 9.7684 9.7684 10.1187 10.1187 10.1187 10.1187 11.1861 11.1861 11.1861 11.1861 11.2320 11.2320 11.2320 11.2320 12.3102 12.3102 12.3102 12.3102 12.5204 12.5204 12.5204 12.5204 12.6068 12.6068 12.6068 12.6068 13.0390 13.0390 13.0390 13.0390 13.0939 13.0939 13.0939 13.0939 14.6762 14.6762 14.6762 14.6762 16.0144 16.0144 16.0144 16.0144 16.6750 16.6750 16.6750 16.6750 18.7706 18.7706 k = 0.2340 0.1351 0.3882 ( 2066 PWs) bands (ev): 2.9106 2.9106 2.9106 2.9106 8.4294 8.4294 8.4294 8.4294 9.7922 9.7922 9.7922 9.7922 10.1185 10.1185 10.1185 10.1185 11.1935 11.1935 11.1935 11.1935 11.2374 11.2374 11.2374 11.2374 12.2848 12.2848 12.2848 12.2848 12.4968 12.4968 12.4968 12.4968 12.5924 12.5924 12.5924 12.5924 13.0334 13.0334 13.0334 13.0334 13.0858 13.0858 13.0858 13.0858 14.5844 14.5844 14.5844 14.5844 15.9454 15.9454 15.9454 15.9454 16.6855 16.6855 16.6855 16.6855 18.8022 18.8022 k = 0.2447 0.1413 0.3882 ( 2070 PWs) bands (ev): 2.9640 2.9640 2.9640 2.9640 8.3525 8.3525 8.3525 8.3525 9.8167 9.8167 9.8167 9.8167 10.1173 10.1173 10.1173 10.1173 11.2008 11.2008 11.2008 11.2008 11.2420 11.2420 11.2420 11.2420 12.2593 12.2593 12.2593 12.2593 12.4727 12.4727 12.4727 12.4727 12.5792 12.5792 12.5792 12.5792 13.0262 13.0262 13.0262 13.0262 13.0782 13.0782 13.0782 13.0782 14.4953 14.4953 14.4953 14.4953 15.8796 15.8796 15.8796 15.8796 16.6983 16.6983 16.6983 16.6983 18.8363 18.8363 k = 0.2553 0.1474 0.3882 ( 2070 PWs) bands (ev): 3.0191 3.0191 3.0191 3.0191 8.2743 8.2743 8.2743 8.2743 9.8419 9.8419 9.8419 9.8419 10.1151 10.1151 10.1151 10.1151 11.2079 11.2079 11.2079 11.2079 11.2457 11.2457 11.2457 11.2457 12.2341 12.2341 12.2341 12.2341 12.4483 12.4483 12.4483 12.4483 12.5673 12.5673 12.5673 12.5673 13.0169 13.0169 13.0169 13.0169 13.0717 13.0717 13.0717 13.0717 14.4095 14.4095 14.4095 14.4095 15.8172 15.8172 15.8172 15.8172 16.7128 16.7128 16.7128 16.7128 18.8731 18.8731 k = 0.2660 0.1536 0.3882 ( 2068 PWs) bands (ev): 3.0757 3.0757 3.0757 3.0757 8.1948 8.1948 8.1948 8.1948 9.8677 9.8677 9.8677 9.8677 10.1119 10.1119 10.1119 10.1119 11.2145 11.2145 11.2145 11.2145 11.2487 11.2487 11.2487 11.2487 12.2094 12.2094 12.2094 12.2094 12.4236 12.4236 12.4236 12.4236 12.5567 12.5567 12.5567 12.5567 13.0053 13.0053 13.0053 13.0053 13.0665 13.0665 13.0665 13.0665 14.3270 14.3270 14.3270 14.3270 15.7581 15.7581 15.7581 15.7581 16.7287 16.7287 16.7287 16.7287 18.9126 18.9126 k = 0.2766 0.1597 0.3882 ( 2072 PWs) bands (ev): 3.1338 3.1338 3.1338 3.1338 8.1142 8.1142 8.1142 8.1142 9.8939 9.8939 9.8939 9.8939 10.1078 10.1078 10.1078 10.1078 11.2201 11.2201 11.2201 11.2201 11.2514 11.2514 11.2514 11.2514 12.1853 12.1853 12.1853 12.1853 12.3989 12.3989 12.3989 12.3989 12.5475 12.5475 12.5475 12.5475 12.9916 12.9916 12.9916 12.9916 13.0625 13.0625 13.0625 13.0625 14.2480 14.2480 14.2480 14.2480 15.7023 15.7023 15.7023 15.7023 16.7456 16.7456 16.7456 16.7456 18.9549 18.9549 k = 0.2872 0.1658 0.3882 ( 2076 PWs) bands (ev): 3.1933 3.1933 3.1933 3.1933 8.0327 8.0327 8.0327 8.0327 9.9206 9.9206 9.9206 9.9206 10.1028 10.1028 10.1028 10.1028 11.2243 11.2243 11.2243 11.2243 11.2541 11.2541 11.2541 11.2541 12.1621 12.1621 12.1621 12.1621 12.3740 12.3740 12.3740 12.3740 12.5399 12.5399 12.5399 12.5399 12.9761 12.9761 12.9761 12.9761 13.0595 13.0595 13.0595 13.0595 14.1725 14.1725 14.1725 14.1725 15.6499 15.6499 15.6499 15.6499 16.7632 16.7632 16.7632 16.7632 18.9999 18.9999 k = 0.2979 0.1720 0.3882 ( 2080 PWs) bands (ev): 3.2538 3.2538 3.2538 3.2538 7.9504 7.9504 7.9504 7.9504 9.9477 9.9477 9.9477 9.9477 10.0970 10.0970 10.0970 10.0970 11.2264 11.2264 11.2264 11.2264 11.2576 11.2576 11.2576 11.2576 12.1398 12.1398 12.1398 12.1398 12.3493 12.3493 12.3493 12.3493 12.5340 12.5340 12.5340 12.5340 12.9591 12.9591 12.9591 12.9591 13.0573 13.0573 13.0573 13.0573 14.1006 14.1006 14.1006 14.1006 15.6007 15.6007 15.6007 15.6007 16.7812 16.7812 16.7812 16.7812 19.0478 19.0478 k = 0.3085 0.1781 0.3882 ( 2078 PWs) bands (ev): 3.3152 3.3152 3.3152 3.3152 7.8678 7.8678 7.8678 7.8678 9.9750 9.9750 9.9750 9.9750 10.0906 10.0906 10.0906 10.0906 11.2264 11.2264 11.2264 11.2264 11.2621 11.2621 11.2621 11.2621 12.1187 12.1187 12.1187 12.1187 12.3246 12.3246 12.3246 12.3246 12.5299 12.5299 12.5299 12.5299 12.9411 12.9411 12.9411 12.9411 13.0557 13.0557 13.0557 13.0557 14.0321 14.0321 14.0321 14.0321 15.5549 15.5549 15.5549 15.5549 16.7993 16.7993 16.7993 16.7993 19.0985 19.0985 k = 0.3191 0.1843 0.3882 ( 2078 PWs) bands (ev): 3.3774 3.3774 3.3774 3.3774 7.7849 7.7849 7.7849 7.7849 10.0024 10.0024 10.0024 10.0024 10.0835 10.0835 10.0835 10.0835 11.2242 11.2242 11.2242 11.2242 11.2674 11.2674 11.2674 11.2674 12.0985 12.0985 12.0985 12.0985 12.3004 12.3004 12.3004 12.3004 12.5276 12.5276 12.5276 12.5276 12.9224 12.9224 12.9224 12.9224 13.0545 13.0545 13.0545 13.0545 13.9671 13.9671 13.9671 13.9671 15.5122 15.5122 15.5122 15.5122 16.8174 16.8174 16.8174 16.8174 19.1521 19.1521 k = 0.3298 0.1904 0.3882 ( 2070 PWs) bands (ev): 3.4401 3.4401 3.4401 3.4401 7.7021 7.7021 7.7021 7.7021 10.0296 10.0296 10.0296 10.0296 10.0762 10.0762 10.0762 10.0762 11.2206 11.2206 11.2206 11.2206 11.2733 11.2733 11.2733 11.2733 12.0796 12.0796 12.0796 12.0796 12.2765 12.2765 12.2765 12.2765 12.5273 12.5273 12.5273 12.5273 12.9031 12.9031 12.9031 12.9031 13.0536 13.0536 13.0536 13.0536 13.9054 13.9054 13.9054 13.9054 15.4727 15.4727 15.4727 15.4727 16.8352 16.8352 16.8352 16.8352 19.2086 19.2086 k = 0.3404 0.1965 0.3882 ( 2076 PWs) bands (ev): 3.5029 3.5029 3.5029 3.5029 7.6197 7.6197 7.6197 7.6197 10.0547 10.0547 10.0547 10.0547 10.0704 10.0704 10.0704 10.0704 11.2156 11.2156 11.2156 11.2156 11.2792 11.2792 11.2792 11.2792 12.0614 12.0614 12.0614 12.0614 12.2531 12.2531 12.2531 12.2531 12.5287 12.5287 12.5287 12.5287 12.8836 12.8836 12.8836 12.8836 13.0529 13.0529 13.0529 13.0529 13.8469 13.8469 13.8469 13.8469 15.4363 15.4363 15.4363 15.4363 16.8526 16.8526 16.8526 16.8526 19.2679 19.2679 k = 0.3511 0.2027 0.3882 ( 2076 PWs) bands (ev): 3.5656 3.5656 3.5656 3.5656 7.5382 7.5382 7.5382 7.5382 10.0572 10.0572 10.0572 10.0572 10.0866 10.0866 10.0866 10.0866 11.2100 11.2100 11.2100 11.2100 11.2849 11.2849 11.2849 11.2849 12.0445 12.0445 12.0445 12.0445 12.2304 12.2304 12.2304 12.2304 12.5321 12.5321 12.5321 12.5321 12.8640 12.8640 12.8640 12.8640 13.0523 13.0523 13.0523 13.0523 13.7916 13.7916 13.7916 13.7916 15.4028 15.4028 15.4028 15.4028 16.8694 16.8694 16.8694 16.8694 19.3301 19.3301 k = 0.3617 0.2088 0.3882 ( 2068 PWs) bands (ev): 3.6279 3.6279 3.6279 3.6279 7.4580 7.4580 7.4580 7.4580 10.0494 10.0494 10.0494 10.0494 10.1125 10.1125 10.1125 10.1125 11.2039 11.2039 11.2039 11.2039 11.2903 11.2903 11.2903 11.2903 12.0287 12.0287 12.0287 12.0287 12.2085 12.2085 12.2085 12.2085 12.5373 12.5373 12.5373 12.5373 12.8448 12.8448 12.8448 12.8448 13.0519 13.0519 13.0519 13.0519 13.7395 13.7395 13.7395 13.7395 15.3722 15.3722 15.3722 15.3722 16.8854 16.8854 16.8854 16.8854 19.3950 19.3950 k = 0.3723 0.2150 0.3882 ( 2072 PWs) bands (ev): 3.6892 3.6892 3.6892 3.6892 7.3795 7.3795 7.3795 7.3795 10.0410 10.0410 10.0410 10.0410 10.1384 10.1384 10.1384 10.1384 11.1975 11.1975 11.1975 11.1975 11.2953 11.2953 11.2953 11.2953 12.0139 12.0139 12.0139 12.0139 12.1874 12.1874 12.1874 12.1874 12.5439 12.5439 12.5439 12.5439 12.8259 12.8259 12.8259 12.8259 13.0514 13.0514 13.0514 13.0514 13.6903 13.6903 13.6903 13.6903 15.3443 15.3443 15.3443 15.3443 16.9006 16.9006 16.9006 16.9006 19.4628 19.4628 k = 0.3830 0.2211 0.3882 ( 2066 PWs) bands (ev): 3.7493 3.7493 3.7493 3.7493 7.3033 7.3033 7.3033 7.3033 10.0325 10.0325 10.0325 10.0325 10.1636 10.1636 10.1636 10.1636 11.1911 11.1911 11.1911 11.1911 11.2998 11.2998 11.2998 11.2998 12.0001 12.0001 12.0001 12.0001 12.1676 12.1676 12.1676 12.1676 12.5518 12.5518 12.5518 12.5518 12.8077 12.8077 12.8077 12.8077 13.0510 13.0510 13.0510 13.0510 13.6443 13.6443 13.6443 13.6443 15.3192 15.3192 15.3192 15.3192 16.9150 16.9150 16.9150 16.9150 19.5332 19.5332 k = 0.3936 0.2273 0.3882 ( 2070 PWs) bands (ev): 3.8075 3.8075 3.8075 3.8075 7.2300 7.2300 7.2300 7.2300 10.0242 10.0242 10.0242 10.0242 10.1878 10.1878 10.1878 10.1878 11.1846 11.1846 11.1846 11.1846 11.3037 11.3037 11.3037 11.3037 11.9873 11.9873 11.9873 11.9873 12.1488 12.1488 12.1488 12.1488 12.5608 12.5608 12.5608 12.5608 12.7903 12.7903 12.7903 12.7903 13.0507 13.0507 13.0507 13.0507 13.6014 13.6014 13.6014 13.6014 15.2966 15.2966 15.2966 15.2966 16.9282 16.9282 16.9282 16.9282 19.6061 19.6061 k = 0.4043 0.2334 0.3882 ( 2078 PWs) bands (ev): 3.8633 3.8633 3.8633 3.8633 7.1603 7.1603 7.1603 7.1603 10.0162 10.0162 10.0162 10.0162 10.2107 10.2107 10.2107 10.2107 11.1782 11.1782 11.1782 11.1782 11.3070 11.3070 11.3070 11.3070 11.9755 11.9755 11.9755 11.9755 12.1315 12.1315 12.1315 12.1315 12.5706 12.5706 12.5706 12.5706 12.7740 12.7740 12.7740 12.7740 13.0502 13.0502 13.0502 13.0502 13.5615 13.5615 13.5615 13.5615 15.2765 15.2765 15.2765 15.2765 16.9404 16.9404 16.9404 16.9404 19.6815 19.6815 k = 0.4149 0.2395 0.3882 ( 2080 PWs) bands (ev): 3.9161 3.9161 3.9161 3.9161 7.0948 7.0948 7.0948 7.0948 10.0086 10.0086 10.0086 10.0086 10.2322 10.2322 10.2322 10.2322 11.1724 11.1724 11.1724 11.1724 11.3098 11.3098 11.3098 11.3098 11.9648 11.9648 11.9648 11.9648 12.1156 12.1156 12.1156 12.1156 12.5808 12.5808 12.5808 12.5808 12.7591 12.7591 12.7591 12.7591 13.0498 13.0498 13.0498 13.0498 13.5250 13.5250 13.5250 13.5250 15.2587 15.2587 15.2587 15.2587 16.9515 16.9515 16.9515 16.9515 19.7591 19.7591 k = 0.4255 0.2457 0.3882 ( 2080 PWs) bands (ev): 3.9651 3.9651 3.9651 3.9651 7.0343 7.0343 7.0343 7.0343 10.0017 10.0017 10.0017 10.0017 10.2520 10.2520 10.2520 10.2520 11.1670 11.1670 11.1670 11.1670 11.3120 11.3120 11.3120 11.3120 11.9553 11.9553 11.9553 11.9553 12.1014 12.1014 12.1014 12.1014 12.5911 12.5911 12.5911 12.5911 12.7457 12.7457 12.7457 12.7457 13.0494 13.0494 13.0494 13.0494 13.4919 13.4919 13.4919 13.4919 15.2433 15.2433 15.2433 15.2433 16.9613 16.9613 16.9613 16.9613 19.8387 19.8387 k = 0.4362 0.2518 0.3882 ( 2080 PWs) bands (ev): 4.0098 4.0098 4.0098 4.0098 6.9796 6.9796 6.9796 6.9796 9.9954 9.9954 9.9954 9.9954 10.2697 10.2697 10.2697 10.2697 11.1623 11.1623 11.1623 11.1623 11.3138 11.3138 11.3138 11.3138 11.9469 11.9469 11.9469 11.9469 12.0889 12.0889 12.0889 12.0889 12.6010 12.6010 12.6010 12.6010 12.7340 12.7340 12.7340 12.7340 13.0489 13.0489 13.0489 13.0489 13.4624 13.4624 13.4624 13.4624 15.2301 15.2301 15.2301 15.2301 16.9699 16.9699 16.9699 16.9699 19.9197 19.9197 k = 0.4468 0.2580 0.3882 ( 2084 PWs) bands (ev): 4.0493 4.0493 4.0493 4.0493 6.9315 6.9315 6.9315 6.9315 9.9900 9.9900 9.9900 9.9900 10.2853 10.2853 10.2853 10.2853 11.1580 11.1580 11.1580 11.1580 11.3150 11.3150 11.3150 11.3150 11.9398 11.9398 11.9398 11.9398 12.0782 12.0782 12.0782 12.0782 12.6100 12.6100 12.6100 12.6100 12.7242 12.7242 12.7242 12.7242 13.0484 13.0484 13.0484 13.0484 13.4368 13.4368 13.4368 13.4368 15.2191 15.2191 15.2191 15.2191 16.9773 16.9773 16.9773 16.9773 20.0017 20.0017 k = 0.4574 0.2641 0.3882 ( 2080 PWs) bands (ev): 4.0829 4.0829 4.0829 4.0829 6.8908 6.8908 6.8908 6.8908 9.9854 9.9854 9.9854 9.9854 10.2985 10.2985 10.2985 10.2985 11.1546 11.1546 11.1546 11.1546 11.3161 11.3161 11.3161 11.3161 11.9338 11.9338 11.9338 11.9338 12.0694 12.0694 12.0694 12.0694 12.6177 12.6177 12.6177 12.6177 12.7166 12.7166 12.7166 12.7166 13.0480 13.0480 13.0480 13.0480 13.4154 13.4154 13.4154 13.4154 15.2101 15.2101 15.2101 15.2101 16.9833 16.9833 16.9833 16.9833 20.0835 20.0835 k = 0.4681 0.2702 0.3882 ( 2082 PWs) bands (ev): 4.1098 4.1098 4.1098 4.1098 6.8583 6.8583 6.8583 6.8583 9.9817 9.9817 9.9817 9.9817 10.3089 10.3089 10.3089 10.3089 11.1519 11.1519 11.1519 11.1519 11.3166 11.3166 11.3166 11.3166 11.9291 11.9291 11.9291 11.9291 12.0624 12.0624 12.0624 12.0624 12.6239 12.6239 12.6239 12.6239 12.7110 12.7110 12.7110 12.7110 13.0476 13.0476 13.0476 13.0476 13.3983 13.3983 13.3983 13.3983 15.2032 15.2032 15.2032 15.2032 16.9880 16.9880 16.9880 16.9880 20.1631 20.1631 k = 0.4787 0.2764 0.3882 ( 2084 PWs) bands (ev): 4.1296 4.1296 4.1296 4.1296 6.8345 6.8345 6.8345 6.8345 9.9791 9.9791 9.9791 9.9791 10.3165 10.3165 10.3165 10.3165 11.1498 11.1498 11.1498 11.1498 11.3170 11.3170 11.3170 11.3170 11.9258 11.9258 11.9258 11.9258 12.0575 12.0575 12.0575 12.0575 12.6281 12.6281 12.6281 12.6281 12.7073 12.7073 12.7073 12.7073 13.0472 13.0472 13.0472 13.0472 13.3859 13.3859 13.3859 13.3859 15.1983 15.1983 15.1983 15.1983 16.9914 16.9914 16.9914 16.9914 20.2363 20.2363 k = 0.4894 0.2825 0.3882 ( 2080 PWs) bands (ev): 4.1417 4.1417 4.1417 4.1417 6.8200 6.8200 6.8200 6.8200 9.9775 9.9775 9.9775 9.9775 10.3211 10.3211 10.3211 10.3211 11.1486 11.1486 11.1486 11.1486 11.3172 11.3172 11.3172 11.3172 11.9239 11.9239 11.9239 11.9239 12.0546 12.0546 12.0546 12.0546 12.6306 12.6306 12.6306 12.6306 12.7053 12.7053 12.7053 12.7053 13.0469 13.0469 13.0469 13.0469 13.3784 13.3784 13.3784 13.3784 15.1954 15.1954 15.1954 15.1954 16.9934 16.9934 16.9934 16.9934 20.2933 20.2933 k = 0.5000 0.2887 0.3882 ( 2076 PWs) bands (ev): 4.1457 4.1457 4.1457 4.1457 6.8151 6.8151 6.8151 6.8151 9.9770 9.9770 9.9770 9.9770 10.3227 10.3227 10.3227 10.3227 11.1482 11.1482 11.1482 11.1482 11.3173 11.3173 11.3173 11.3173 11.9232 11.9232 11.9232 11.9232 12.0536 12.0536 12.0536 12.0536 12.6314 12.6314 12.6314 12.6314 12.7047 12.7047 12.7047 12.7047 13.0469 13.0469 13.0469 13.0469 13.3759 13.3759 13.3759 13.3759 15.1944 15.1944 15.1944 15.1944 16.9941 16.9941 16.9941 16.9941 20.3165 20.3165 k = 0.5000 0.2887 0.3882 ( 2076 PWs) bands (ev): 4.1457 4.1457 4.1457 4.1457 6.8151 6.8151 6.8151 6.8151 9.9770 9.9770 9.9770 9.9770 10.3227 10.3227 10.3227 10.3227 11.1482 11.1482 11.1482 11.1482 11.3173 11.3173 11.3173 11.3173 11.9232 11.9232 11.9232 11.9232 12.0536 12.0536 12.0536 12.0536 12.6314 12.6314 12.6314 12.6314 12.7047 12.7047 12.7047 12.7047 13.0469 13.0469 13.0469 13.0469 13.3759 13.3759 13.3759 13.3759 15.1944 15.1944 15.1944 15.1944 16.9941 16.9941 16.9941 16.9941 20.3165 20.3165 k = 0.4938 0.2994 0.3882 ( 2080 PWs) bands (ev): 4.1463 4.1463 4.1465 4.1465 6.8163 6.8163 6.8166 6.8166 9.9705 9.9705 9.9722 9.9722 10.3223 10.3223 10.3231 10.3231 11.1452 11.1452 11.1533 11.1533 11.3135 11.3135 11.3235 11.3235 11.9194 11.9194 11.9238 11.9238 12.0523 12.0523 12.0567 12.0567 12.6307 12.6307 12.6318 12.6318 12.7052 12.7052 12.7056 12.7056 13.0444 13.0444 13.0488 13.0488 13.3750 13.3750 13.3771 13.3771 15.1825 15.1825 15.1875 15.1875 17.0082 17.0082 17.0082 17.0082 20.3180 20.3182 k = 0.4877 0.3101 0.3882 ( 2084 PWs) bands (ev): 4.1484 4.1484 4.1487 4.1487 6.8202 6.8202 6.8209 6.8209 9.9531 9.9531 9.9565 9.9565 10.3221 10.3221 10.3237 10.3237 11.1442 11.1442 11.1602 11.1602 11.3123 11.3123 11.3320 11.3320 11.9130 11.9130 11.9211 11.9211 12.0532 12.0532 12.0612 12.0612 12.6298 12.6298 12.6320 12.6320 12.7072 12.7072 12.7078 12.7078 13.0414 13.0414 13.0502 13.0502 13.3746 13.3746 13.3787 13.3787 15.1529 15.1529 15.1627 15.1627 17.0494 17.0494 17.0498 17.0498 20.3250 20.3250 k = 0.4815 0.3208 0.3882 ( 2072 PWs) bands (ev): 4.1519 4.1519 4.1523 4.1523 6.8267 6.8267 6.8278 6.8278 9.9253 9.9253 9.9301 9.9301 10.3222 10.3222 10.3245 10.3245 11.1451 11.1451 11.1685 11.1685 11.3139 11.3139 11.3427 11.3427 11.9050 11.9050 11.9157 11.9157 12.0563 12.0563 12.0666 12.0666 12.6291 12.6291 12.6321 12.6321 12.7106 12.7106 12.7113 12.7113 13.0380 13.0380 13.0512 13.0512 13.3745 13.3745 13.3806 13.3806 15.1082 15.1082 15.1224 15.1224 17.1151 17.1151 17.1161 17.1161 20.3375 20.3375 k = 0.4753 0.3314 0.3882 ( 2080 PWs) bands (ev): 4.1567 4.1567 4.1573 4.1573 6.8359 6.8359 6.8373 6.8373 9.8874 9.8874 9.8937 9.8937 10.3226 10.3226 10.3256 10.3256 11.1472 11.1472 11.1776 11.1776 11.3177 11.3177 11.3550 11.3550 11.8954 11.8954 11.9076 11.9076 12.0606 12.0606 12.0719 12.0719 12.6285 12.6285 12.6323 12.6323 12.7149 12.7149 12.7155 12.7155 13.0339 13.0339 13.0515 13.0515 13.3747 13.3747 13.3827 13.3827 15.0517 15.0517 15.0697 15.0697 17.2014 17.2014 17.2038 17.2038 20.3555 20.3555 k = 0.4691 0.3421 0.3882 ( 2080 PWs) bands (ev): 4.1629 4.1629 4.1636 4.1636 6.8478 6.8478 6.8495 6.8495 9.8405 9.8405 9.8480 9.8480 10.3235 10.3235 10.3270 10.3270 11.1506 11.1506 11.1869 11.1869 11.3241 11.3241 11.3688 11.3688 11.8855 11.8855 11.8979 11.8979 12.0658 12.0658 12.0769 12.0769 12.6286 12.6286 12.6329 12.6329 12.7202 12.7202 12.7204 12.7204 13.0293 13.0293 13.0514 13.0514 13.3752 13.3752 13.3850 13.3850 14.9868 14.9868 15.0082 15.0082 17.3048 17.3048 17.3090 17.3090 20.3793 20.3793 k = 0.4630 0.3528 0.3882 ( 2076 PWs) bands (ev): 4.1704 4.1704 4.1713 4.1713 6.8622 6.8622 6.8644 6.8644 9.7853 9.7853 9.7939 9.7939 10.3249 10.3249 10.3288 10.3288 11.1546 11.1546 11.1960 11.1960 11.3328 11.3328 11.3837 11.3837 11.8754 11.8754 11.8872 11.8872 12.0715 12.0715 12.0811 12.0811 12.6296 12.6296 12.6340 12.6340 12.7258 12.7258 12.7263 12.7263 13.0242 13.0242 13.0508 13.0508 13.3759 13.3759 13.3874 13.3874 14.9165 14.9165 14.9408 14.9408 17.4218 17.4218 17.4283 17.4283 20.4089 20.4089 k = 0.4568 0.3635 0.3882 ( 2078 PWs) bands (ev): 4.1792 4.1792 4.1802 4.1802 6.8792 6.8792 6.8818 6.8818 9.7227 9.7227 9.7323 9.7323 10.3266 10.3266 10.3311 10.3311 11.1592 11.1592 11.2047 11.2047 11.3430 11.3430 11.3988 11.3988 11.8656 11.8656 11.8760 11.8760 12.0771 12.0771 12.0843 12.0843 12.6316 12.6316 12.6358 12.6358 12.7315 12.7315 12.7331 12.7331 13.0185 13.0185 13.0497 13.0497 13.3766 13.3766 13.3896 13.3896 14.8432 14.8432 14.8700 14.8700 17.5493 17.5493 17.5586 17.5586 20.4448 20.4448 k = 0.4506 0.3742 0.3882 ( 2078 PWs) bands (ev): 4.1892 4.1892 4.1904 4.1904 6.8988 6.8988 6.9017 6.9017 9.6537 9.6537 9.6642 9.6642 10.3289 10.3289 10.3337 10.3337 11.1641 11.1641 11.2128 11.2128 11.3542 11.3542 11.4138 11.4138 11.8566 11.8566 11.8647 11.8647 12.0825 12.0825 12.0863 12.0863 12.6347 12.6347 12.6385 12.6385 12.7375 12.7375 12.7405 12.7405 13.0123 13.0123 13.0481 13.0481 13.3772 13.3772 13.3916 13.3916 14.7689 14.7689 14.7980 14.7980 17.6846 17.6846 17.6972 17.6972 20.4869 20.4869 k = 0.4444 0.3849 0.3882 ( 2078 PWs) bands (ev): 4.2003 4.2003 4.2016 4.2016 6.9207 6.9207 6.9242 6.9242 9.5791 9.5791 9.5905 9.5905 10.3315 10.3315 10.3368 10.3368 11.1691 11.1691 11.2204 11.2204 11.3658 11.3658 11.4281 11.4281 11.8485 11.8485 11.8535 11.8535 12.0870 12.0870 12.0876 12.0876 12.6389 12.6389 12.6420 12.6420 12.7436 12.7436 12.7485 12.7485 13.0057 13.0057 13.0461 13.0461 13.3776 13.3776 13.3932 13.3932 14.6951 14.6951 14.7261 14.7261 17.8256 17.8256 17.8418 17.8418 20.5355 20.5355 k = 0.4383 0.3956 0.3882 ( 2076 PWs) bands (ev): 4.2125 4.2125 4.2140 4.2140 6.9451 6.9451 6.9491 6.9491 9.4999 9.4999 9.5121 9.5121 10.3345 10.3345 10.3401 10.3401 11.1741 11.1741 11.2278 11.2278 11.3772 11.3772 11.4414 11.4414 11.8416 11.8416 11.8427 11.8427 12.0867 12.0867 12.0923 12.0923 12.6442 12.6442 12.6462 12.6462 12.7501 12.7501 12.7571 12.7571 12.9986 12.9986 13.0437 13.0437 13.3775 13.3775 13.3941 13.3941 14.6229 14.6229 14.6557 14.6557 17.9702 17.9702 17.9904 17.9904 20.5902 20.5902 k = 0.4321 0.4063 0.3882 ( 2072 PWs) bands (ev): 4.2257 4.2257 4.2273 4.2273 6.9718 6.9718 6.9763 6.9763 9.4168 9.4168 9.4298 9.4298 10.3377 10.3377 10.3438 10.3438 11.1793 11.1793 11.2350 11.2350 11.3879 11.3879 11.4533 11.4533 11.8324 11.8324 11.8361 11.8361 12.0852 12.0852 12.0965 12.0965 12.6506 12.6506 12.6512 12.6512 12.7569 12.7569 12.7663 12.7663 12.9912 12.9912 13.0409 13.0409 13.3768 13.3768 13.3942 13.3942 14.5533 14.5533 14.5875 14.5875 18.1165 18.1165 18.1409 18.1409 20.6485 20.6485 k = 0.4259 0.4170 0.3882 ( 2076 PWs) bands (ev): 4.2397 4.2397 4.2414 4.2414 7.0006 7.0006 7.0057 7.0057 9.3305 9.3305 9.3442 9.3442 10.3413 10.3413 10.3477 10.3477 11.1842 11.1842 11.2418 11.2418 11.3975 11.3975 11.4634 11.4634 11.8228 11.8228 11.8321 11.8321 12.0828 12.0828 12.1004 12.1004 12.6565 12.6565 12.6575 12.6575 12.7643 12.7643 12.7764 12.7764 12.9836 12.9836 13.0379 13.0379 13.3750 13.3750 13.3932 13.3932 14.4868 14.4868 14.5223 14.5223 18.2628 18.2628 18.2917 18.2917 20.6991 20.6991 k = 0.4198 0.4277 0.3882 ( 2072 PWs) bands (ev): 4.2544 4.2544 4.2563 4.2563 7.0315 7.0315 7.0372 7.0372 9.2419 9.2419 9.2564 9.2564 10.3450 10.3450 10.3518 10.3518 11.1890 11.1890 11.2486 11.2486 11.4058 11.4058 11.4718 11.4718 11.8139 11.8139 11.8295 11.8295 12.0797 12.0797 12.1040 12.1040 12.6621 12.6621 12.6651 12.6651 12.7727 12.7727 12.7874 12.7874 12.9758 12.9758 13.0347 13.0347 13.3720 13.3720 13.3908 13.3908 14.4241 14.4241 14.4606 14.4606 18.4075 18.4075 18.4411 18.4411 20.7118 20.7118 k = 0.4136 0.4384 0.3882 ( 2072 PWs) bands (ev): 4.2698 4.2698 4.2718 4.2718 7.0642 7.0642 7.0708 7.0708 9.1518 9.1518 9.1671 9.1671 10.3488 10.3488 10.3561 10.3561 11.1937 11.1937 11.2554 11.2554 11.4128 11.4128 11.4786 11.4786 11.8056 11.8056 11.8282 11.8282 12.0759 12.0759 12.1073 12.1073 12.6676 12.6676 12.6730 12.6730 12.7820 12.7820 12.7993 12.7993 12.9680 12.9680 13.0314 13.0314 13.3675 13.3675 13.3867 13.3867 14.3655 14.3655 14.4030 14.4030 18.5491 18.5491 18.5875 18.5875 20.7138 20.7138 k = 0.4074 0.4491 0.3882 ( 2072 PWs) bands (ev): 4.2856 4.2856 4.2877 4.2877 7.0987 7.0987 7.1060 7.1060 9.0608 9.0608 9.0769 9.0769 10.3528 10.3528 10.3604 10.3604 11.1981 11.1981 11.2621 11.2621 11.4183 11.4183 11.4836 11.4836 11.7979 11.7979 11.8280 11.8280 12.0717 12.0717 12.1103 12.1103 12.6726 12.6726 12.6807 12.6807 12.7928 12.7928 12.8123 12.8123 12.9605 12.9605 13.0280 13.0280 13.3612 13.3612 13.3808 13.3808 14.3115 14.3115 14.3497 14.3497 18.6862 18.6862 18.7293 18.7293 20.7126 20.7126 k = 0.4012 0.4597 0.3882 ( 2068 PWs) bands (ev): 4.3017 4.3017 4.3039 4.3039 7.1346 7.1346 7.1428 7.1428 8.9698 8.9698 8.9868 8.9868 10.3568 10.3568 10.3648 10.3648 11.2024 11.2024 11.2688 11.2688 11.4225 11.4225 11.4874 11.4874 11.7908 11.7908 11.8287 11.8287 12.0672 12.0672 12.1132 12.1132 12.6771 12.6771 12.6883 12.6883 12.8052 12.8052 12.8263 12.8263 12.9536 12.9536 13.0246 13.0246 13.3528 13.3528 13.3726 13.3726 14.2624 14.2624 14.3012 14.3012 18.8175 18.8175 18.8651 18.8651 20.7086 20.7086 k = 0.3951 0.4704 0.3882 ( 2068 PWs) bands (ev): 4.3178 4.3178 4.3202 4.3202 7.1715 7.1715 7.1809 7.1809 8.8796 8.8796 8.8977 8.8977 10.3608 10.3608 10.3692 10.3692 11.2062 11.2062 11.2753 11.2753 11.4256 11.4256 11.4900 11.4900 11.7842 11.7842 11.8298 11.8298 12.0627 12.0627 12.1157 12.1157 12.6806 12.6806 12.6952 12.6952 12.8194 12.8194 12.8409 12.8409 12.9478 12.9478 13.0214 13.0214 13.3422 13.3422 13.3621 13.3621 14.2183 14.2183 14.2575 14.2575 18.9420 18.9420 18.9939 18.9939 20.7019 20.7019 k = 0.3889 0.4811 0.3882 ( 2072 PWs) bands (ev): 4.3338 4.3338 4.3364 4.3364 7.2092 7.2092 7.2198 7.2198 8.7911 8.7911 8.8105 8.8105 10.3647 10.3647 10.3734 10.3734 11.2097 11.2097 11.2814 11.2814 11.4277 11.4277 11.4918 11.4918 11.7779 11.7779 11.8311 11.8311 12.0580 12.0580 12.1180 12.1180 12.6833 12.6833 12.7015 12.7015 12.8354 12.8354 12.8555 12.8555 12.9439 12.9439 13.0182 13.0182 13.3291 13.3291 13.3489 13.3489 14.1793 14.1793 14.2188 14.2188 19.0587 19.0587 19.1146 19.1146 20.6923 20.6923 k = 0.3827 0.4918 0.3882 ( 2078 PWs) bands (ev): 4.3495 4.3495 4.3521 4.3521 7.2471 7.2471 7.2591 7.2591 8.7054 8.7054 8.7261 8.7261 10.3683 10.3683 10.3774 10.3774 11.2128 11.2128 11.2873 11.2873 11.4291 11.4291 11.4931 11.4931 11.7721 11.7721 11.8324 11.8324 12.0537 12.0537 12.1200 12.1200 12.6851 12.6851 12.7069 12.7069 12.8530 12.8530 12.8686 12.8686 12.9437 12.9437 13.0153 13.0153 13.3136 13.3136 13.3330 13.3330 14.1455 14.1455 14.1851 14.1851 19.1670 19.1670 19.2264 19.2264 20.6798 20.6798 k = 0.3765 0.5025 0.3882 ( 2078 PWs) bands (ev): 4.3645 4.3645 4.3673 4.3673 7.2846 7.2846 7.2980 7.2980 8.6237 8.6237 8.6458 8.6458 10.3719 10.3719 10.3813 10.3813 11.2155 11.2155 11.2928 11.2928 11.4299 11.4299 11.4941 11.4941 11.7666 11.7666 11.8336 11.8336 12.0496 12.0496 12.1217 12.1217 12.6862 12.6862 12.7116 12.7116 12.8722 12.8722 12.8780 12.8780 12.9494 12.9494 13.0127 13.0127 13.2957 13.2957 13.3144 13.3144 14.1169 14.1169 14.1566 14.1566 19.2661 19.2661 19.3286 19.3286 20.6646 20.6646 k = 0.3704 0.5132 0.3882 ( 2074 PWs) bands (ev): 4.3787 4.3787 4.3815 4.3815 7.3207 7.3207 7.3359 7.3359 8.5472 8.5472 8.5710 8.5710 10.3752 10.3752 10.3849 10.3849 11.2178 11.2178 11.2978 11.2978 11.4305 11.4305 11.4949 11.4949 11.7616 11.7616 11.8345 11.8345 12.0458 12.0458 12.1231 12.1231 12.6869 12.6869 12.7155 12.7155 12.8826 12.8826 12.8927 12.8927 12.9622 12.9622 13.0105 13.0105 13.2758 13.2758 13.2932 13.2932 14.0932 14.0932 14.1329 14.1329 19.3555 19.3555 19.4206 19.4206 20.6469 20.6469 k = 0.3642 0.5239 0.3882 ( 2082 PWs) bands (ev): 4.3916 4.3916 4.3945 4.3945 7.3545 7.3545 7.3716 7.3716 8.4775 8.4775 8.5031 8.5031 10.3781 10.3781 10.3881 10.3881 11.2196 11.2196 11.3021 11.3021 11.4309 11.4309 11.4957 11.4957 11.7570 11.7570 11.8350 11.8350 12.0423 12.0423 12.1240 12.1240 12.6869 12.6869 12.7184 12.7184 12.8833 12.8833 12.9140 12.9140 12.9809 12.9809 13.0086 13.0086 13.2540 13.2540 13.2696 13.2696 14.0742 14.0742 14.1138 14.1138 19.4343 19.4343 19.5017 19.5017 20.6276 20.6276 k = 0.3580 0.5346 0.3882 ( 2074 PWs) bands (ev): 4.4030 4.4030 4.4060 4.4060 7.3848 7.3848 7.4039 7.4039 8.4164 8.4164 8.4440 8.4440 10.3807 10.3807 10.3909 10.3909 11.2211 11.2211 11.3058 11.3058 11.4314 11.4314 11.4966 11.4966 11.7531 11.7531 11.8354 11.8354 12.0394 12.0394 12.1248 12.1248 12.6869 12.6869 12.7208 12.7208 12.8824 12.8824 12.9356 12.9356 13.0036 13.0036 13.0074 13.0074 13.2314 13.2314 13.2440 13.2440 14.0595 14.0595 14.0991 14.0991 19.5018 19.5018 19.5711 19.5711 20.6077 20.6077 k = 0.3519 0.5453 0.3882 ( 2070 PWs) bands (ev): 4.4125 4.4125 4.4155 4.4155 7.4101 7.4101 7.4311 7.4311 8.3660 8.3660 8.3954 8.3954 10.3828 10.3828 10.3932 10.3932 11.2222 11.2222 11.3087 11.3087 11.4318 11.4318 11.4974 11.4974 11.7499 11.7499 11.8355 11.8355 12.0368 12.0368 12.1251 12.1251 12.6868 12.6868 12.7225 12.7225 12.8810 12.8810 12.9563 12.9563 13.0068 13.0068 13.0287 13.0287 13.2090 13.2090 13.2168 13.2168 14.0488 14.0488 14.0883 14.0883 19.5567 19.5567 19.6275 19.6275 20.5889 20.5889 k = 0.3457 0.5560 0.3882 ( 2070 PWs) bands (ev): 4.4197 4.4197 4.4228 4.4228 7.4290 7.4290 7.4516 7.4516 8.3283 8.3283 8.3593 8.3593 10.3843 10.3843 10.3949 10.3949 11.2229 11.2229 11.3108 11.3108 11.4321 11.4321 11.4981 11.4981 11.7474 11.7474 11.8354 11.8354 12.0349 12.0349 12.1252 12.1252 12.6866 12.6866 12.7235 12.7235 12.8797 12.8797 12.9741 12.9741 13.0074 13.0074 13.0552 13.0552 13.1886 13.1886 13.1889 13.1889 14.0416 14.0416 14.0810 14.0810 19.5975 19.5975 19.6694 19.6694 20.5732 20.5732 k = 0.3395 0.5667 0.3882 ( 2078 PWs) bands (ev): 4.4243 4.4243 4.4275 4.4275 7.4405 7.4405 7.4642 7.4642 8.3051 8.3051 8.3372 8.3372 10.3853 10.3853 10.3959 10.3959 11.2233 11.2233 11.3119 11.3119 11.4324 11.4324 11.4985 11.4985 11.7458 11.7458 11.8353 11.8353 12.0335 12.0335 12.1250 12.1250 12.6864 12.6864 12.7240 12.7240 12.8788 12.8788 12.9856 12.9856 13.0096 13.0096 13.0807 13.0807 13.1621 13.1621 13.1732 13.1732 14.0375 14.0375 14.0768 14.0768 19.6227 19.6227 19.6954 19.6954 20.5625 20.5625 k = 0.3333 0.5774 0.3882 ( 2082 PWs) bands (ev): 4.4260 4.4260 4.4291 4.4291 7.4442 7.4442 7.4683 7.4683 8.2974 8.2974 8.3298 8.3298 10.3856 10.3856 10.3963 10.3963 11.2234 11.2234 11.3123 11.3123 11.4325 11.4325 11.4987 11.4987 11.7451 11.7451 11.8352 11.8352 12.0330 12.0330 12.1249 12.1249 12.6863 12.6863 12.7242 12.7242 12.8785 12.8785 12.9892 12.9892 13.0114 13.0114 13.0953 13.0953 13.1471 13.1471 13.1672 13.1672 14.0362 14.0362 14.0755 14.0755 19.6312 19.6312 19.7042 19.7042 20.5587 20.5587 k = 0.3333 0.5774 0.3882 ( 2082 PWs) bands (ev): 4.4260 4.4260 4.4291 4.4291 7.4442 7.4442 7.4683 7.4683 8.2974 8.2974 8.3298 8.3298 10.3856 10.3856 10.3963 10.3963 11.2234 11.2234 11.3123 11.3123 11.4325 11.4325 11.4987 11.4987 11.7451 11.7451 11.8352 11.8352 12.0330 12.0330 12.1249 12.1249 12.6863 12.6863 12.7242 12.7242 12.8785 12.8785 12.9892 12.9892 13.0114 13.0114 13.0953 13.0953 13.1471 13.1471 13.1672 13.1672 14.0362 14.0362 14.0755 14.0755 19.6312 19.6312 19.7042 19.7042 20.5587 20.5587 k = 0.3272 0.5667 0.3882 ( 2078 PWs) bands (ev): 4.4242 4.4242 4.4273 4.4273 7.4408 7.4408 7.4646 7.4646 8.3049 8.3049 8.3370 8.3370 10.3853 10.3853 10.3959 10.3959 11.2233 11.2233 11.3119 11.3119 11.4323 11.4323 11.4985 11.4985 11.7458 11.7458 11.8353 11.8353 12.0336 12.0336 12.1251 12.1251 12.6863 12.6863 12.7240 12.7240 12.8788 12.8788 12.9854 12.9854 13.0096 13.0096 13.0801 13.0801 13.1629 13.1629 13.1735 13.1735 14.0374 14.0374 14.0767 14.0767 19.6228 19.6228 19.6955 19.6955 20.5627 20.5627 k = 0.3210 0.5560 0.3882 ( 2070 PWs) bands (ev): 4.4188 4.4188 4.4219 4.4219 7.4319 7.4319 7.4546 7.4546 8.3263 8.3263 8.3574 8.3574 10.3842 10.3842 10.3948 10.3948 11.2230 11.2230 11.3109 11.3109 11.4318 11.4318 11.4977 11.4977 11.7476 11.7476 11.8357 11.8357 12.0354 12.0354 12.1257 12.1257 12.6864 12.6864 12.7237 12.7237 12.8795 12.8795 12.9726 12.9726 13.0074 13.0074 13.0524 13.0524 13.1910 13.1910 13.1925 13.1925 14.0408 14.0408 14.0801 14.0801 19.5980 19.5980 19.6699 19.6699 20.5741 20.5741 k = 0.3148 0.5453 0.3882 ( 2060 PWs) bands (ev): 4.4093 4.4093 4.4124 4.4124 7.4194 7.4194 7.4408 7.4408 8.3597 8.3597 8.3894 8.3894 10.3824 10.3824 10.3928 10.3928 11.2226 11.2226 11.3091 11.3091 11.4307 11.4307 11.4961 11.4961 11.7507 11.7507 11.8363 11.8363 12.0388 12.0388 12.1270 12.1270 12.6864 12.6864 12.7233 12.7233 12.8803 12.8803 12.9522 12.9522 13.0071 13.0071 13.0227 13.0227 13.2161 13.2161 13.2259 13.2259 14.0462 14.0462 14.0857 14.0857 19.5586 19.5586 19.6294 19.6294 20.5919 20.5919 k = 0.3086 0.5346 0.3882 ( 2060 PWs) bands (ev): 4.3955 4.3955 4.3985 4.3985 7.4055 7.4055 7.4253 7.4253 8.4028 8.4028 8.4310 8.4310 10.3797 10.3797 10.3899 10.3899 11.2218 11.2218 11.3066 11.3066 11.4289 11.4289 11.4937 11.4937 11.7550 11.7550 11.8372 11.8372 12.0437 12.0437 12.1291 12.1291 12.6860 12.6860 12.7226 12.7226 12.8805 12.8805 12.9280 12.9280 12.9936 12.9936 13.0079 13.0079 13.2460 13.2460 13.2611 13.2611 14.0533 14.0533 14.0929 14.0929 19.5069 19.5069 19.5761 19.5761 20.6139 20.6139 k = 0.3025 0.5239 0.3882 ( 2064 PWs) bands (ev): 4.3773 4.3773 4.3802 4.3802 7.3923 7.3923 7.4105 7.4105 8.4535 8.4535 8.4803 8.4803 10.3763 10.3763 10.3861 10.3861 11.2209 11.2209 11.3034 11.3034 11.4263 11.4263 11.4902 11.4902 11.7604 11.7604 11.8385 11.8385 12.0505 12.0505 12.1322 12.1322 12.6848 12.6848 12.7216 12.7216 12.8789 12.8789 12.9025 12.9025 12.9672 12.9672 13.0094 13.0094 13.2791 13.2791 13.2978 13.2978 14.0619 14.0619 14.1016 14.1016 19.4450 19.4450 19.5124 19.5124 20.6381 20.6381 k = 0.2963 0.5132 0.3882 ( 2064 PWs) bands (ev): 4.3544 4.3544 4.3572 4.3572 7.3813 7.3813 7.3979 7.3979 8.5104 8.5104 8.5356 8.5356 10.3719 10.3719 10.3815 10.3815 11.2197 11.2197 11.2996 11.2996 11.4231 11.4231 11.4857 11.4857 11.7672 11.7672 11.8404 11.8404 12.0593 12.0593 12.1368 12.1368 12.6825 12.6825 12.7202 12.7202 12.8732 12.8732 12.8777 12.8777 12.9463 12.9463 13.0116 13.0116 13.3148 13.3148 13.3358 13.3358 14.0720 14.0720 14.1119 14.1119 19.3751 19.3751 19.4407 19.4407 20.6624 20.6624 k = 0.2901 0.5025 0.3882 ( 2072 PWs) bands (ev): 4.3268 4.3268 4.3295 4.3295 7.3737 7.3737 7.3890 7.3890 8.5718 8.5718 8.5957 8.5957 10.3667 10.3667 10.3758 10.3758 11.2183 11.2183 11.2952 11.2952 11.4189 11.4189 11.4801 11.4801 11.7751 11.7751 11.8430 11.8430 12.0701 12.0701 12.1428 12.1428 12.6782 12.6782 12.7178 12.7178 12.8548 12.8548 12.8610 12.8610 12.9341 12.9341 13.0141 13.0141 13.3524 13.3524 13.3750 13.3750 14.0834 14.0834 14.1234 14.1234 19.2990 19.2990 19.3626 19.3626 20.6847 20.6847 k = 0.2840 0.4918 0.3882 ( 2072 PWs) bands (ev): 4.2947 4.2947 4.2972 4.2972 7.3706 7.3706 7.3845 7.3845 8.6367 8.6367 8.6594 8.6594 10.3607 10.3607 10.3693 10.3693 11.2168 11.2168 11.2905 11.2905 11.4140 11.4140 11.4735 11.4735 11.7843 11.7843 11.8465 11.8465 12.0830 12.0830 12.1504 12.1504 12.6712 12.6712 12.7138 12.7138 12.8350 12.8350 12.8438 12.8438 12.9299 12.9299 13.0171 13.0171 13.3918 13.3918 13.4156 13.4156 14.0962 14.0962 14.1364 14.1364 19.2181 19.2181 19.2797 19.2797 20.7032 20.7032 k = 0.2778 0.4811 0.3882 ( 2072 PWs) bands (ev): 4.2581 4.2581 4.2605 4.2605 7.3724 7.3724 7.3851 7.3851 8.7041 8.7041 8.7258 8.7258 10.3538 10.3538 10.3619 10.3619 11.2151 11.2151 11.2853 11.2853 11.4083 11.4083 11.4658 11.4658 11.7948 11.7948 11.8511 11.8511 12.0979 12.0979 12.1598 12.1598 12.6607 12.6607 12.7072 12.7072 12.8196 12.8196 12.8259 12.8259 12.9306 12.9306 13.0205 13.0205 13.4328 13.4328 13.4574 13.4574 14.1103 14.1103 14.1506 14.1506 19.1337 19.1337 19.1932 19.1932 20.7165 20.7165 k = 0.2716 0.4704 0.3882 ( 2072 PWs) bands (ev): 4.2171 4.2171 4.2194 4.2194 7.3795 7.3795 7.3912 7.3912 8.7734 8.7734 8.7941 8.7941 10.3461 10.3461 10.3537 10.3537 11.2132 11.2132 11.2798 11.2798 11.4019 11.4019 11.4571 11.4571 11.8065 11.8065 11.8569 11.8569 12.1147 12.1147 12.1710 12.1710 12.6465 12.6465 12.6967 12.6967 12.8088 12.8088 12.8110 12.8110 12.9340 12.9340 13.0244 13.0244 13.4755 13.4755 13.5005 13.5005 14.1256 14.1256 14.1660 14.1660 19.0466 19.0466 19.1042 19.1042 20.7231 20.7231 k = 0.2654 0.4597 0.3882 ( 2076 PWs) bands (ev): 4.1722 4.1722 4.1743 4.1743 7.3920 7.3920 7.4028 7.4028 8.8438 8.8438 8.8636 8.8636 10.3375 10.3375 10.3445 10.3445 11.2112 11.2112 11.2741 11.2741 11.3946 11.3946 11.4474 11.4474 11.8193 11.8193 11.8640 11.8640 12.1331 12.1331 12.1837 12.1837 12.6290 12.6290 12.6818 12.6818 12.8008 12.8008 12.8025 12.8025 12.9387 12.9387 13.0286 13.0286 13.5198 13.5198 13.5451 13.5451 14.1421 14.1421 14.1826 14.1826 18.9579 18.9579 19.0134 19.0134 20.7221 20.7221 k = 0.2593 0.4491 0.3882 ( 2076 PWs) bands (ev): 4.1236 4.1236 4.1255 4.1255 7.4099 7.4099 7.4198 7.4198 8.9147 8.9147 8.9337 8.9337 10.3282 10.3282 10.3345 10.3345 11.2091 11.2091 11.2684 11.2684 11.3867 11.3867 11.4370 11.4370 11.8334 11.8334 11.8725 11.8725 12.1532 12.1532 12.1980 12.1980 12.6092 12.6092 12.6630 12.6630 12.7955 12.7955 12.7999 12.7999 12.9443 12.9443 13.0332 13.0332 13.5658 13.5658 13.5912 13.5912 14.1600 14.1600 14.2004 14.2004 18.8679 18.8679 18.9215 18.9215 20.7129 20.7129 k = 0.2531 0.4384 0.3882 ( 2076 PWs) bands (ev): 4.0717 4.0717 4.0734 4.0734 7.4331 7.4331 7.4422 7.4422 8.9856 8.9856 9.0039 9.0039 10.3180 10.3180 10.3238 10.3238 11.2070 11.2070 11.2627 11.2627 11.3782 11.3782 11.4258 11.4258 11.8486 11.8486 11.8826 11.8826 12.1746 12.1746 12.2137 12.2137 12.5883 12.5883 12.6419 12.6419 12.7939 12.7939 12.8001 12.8001 12.9506 12.9506 13.0381 13.0381 13.6135 13.6135 13.6390 13.6390 14.1792 14.1792 14.2196 14.2196 18.7774 18.7774 18.8290 18.8290 20.6951 20.6951 k = 0.2469 0.4277 0.3882 ( 2080 PWs) bands (ev): 4.0168 4.0168 4.0184 4.0184 7.4613 7.4613 7.4697 7.4697 9.0559 9.0559 9.0735 9.0735 10.3072 10.3072 10.3123 10.3123 11.2049 11.2049 11.2572 11.2572 11.3691 11.3691 11.4140 11.4140 11.8650 11.8650 11.8941 11.8941 12.1972 12.1972 12.2306 12.2306 12.5671 12.5671 12.6196 12.6196 12.7951 12.7951 12.8024 12.8024 12.9573 12.9573 13.0433 13.0433 13.6631 13.6631 13.6885 13.6885 14.1997 14.1997 14.2399 14.2399 18.6867 18.6867 18.7364 18.7364 20.6688 20.6688 k = 0.2407 0.4170 0.3882 ( 2076 PWs) bands (ev): 3.9594 3.9594 3.9609 3.9609 7.4942 7.4942 7.5021 7.5021 9.1251 9.1251 9.1420 9.1420 10.2957 10.2957 10.3002 10.3002 11.2032 11.2032 11.2521 11.2521 11.3599 11.3599 11.4020 11.4020 11.8825 11.8825 11.9072 11.9072 12.2210 12.2210 12.2484 12.2484 12.5465 12.5465 12.5973 12.5973 12.7983 12.7983 12.8063 12.8063 12.9645 12.9645 13.0489 13.0489 13.7147 13.7147 13.7399 13.7399 14.2216 14.2216 14.2616 14.2616 18.5962 18.5962 18.6441 18.6441 20.6297 20.6297 k = 0.2346 0.4063 0.3882 ( 2072 PWs) bands (ev): 3.8998 3.8998 3.9012 3.9012 7.5317 7.5317 7.5390 7.5390 9.1927 9.1927 9.2089 9.2089 10.2837 10.2837 10.2875 10.2875 11.2017 11.2017 11.2475 11.2475 11.3503 11.3503 11.3896 11.3896 11.9011 11.9011 11.9218 11.9218 12.2455 12.2455 12.2668 12.2668 12.5273 12.5273 12.5756 12.5756 12.8030 12.8030 12.8114 12.8114 12.9719 12.9719 13.0548 13.0548 13.7684 13.7684 13.7935 13.7935 14.2451 14.2451 14.2847 14.2847 18.5063 18.5063 18.5523 18.5523 20.5793 20.5793 k = 0.2284 0.3956 0.3882 ( 2062 PWs) bands (ev): 3.8385 3.8385 3.8398 3.8398 7.5733 7.5733 7.5801 7.5801 9.2582 9.2582 9.2737 9.2737 10.2713 10.2713 10.2744 10.2744 11.2006 11.2006 11.2434 11.2434 11.3405 11.3405 11.3771 11.3771 11.9209 11.9209 11.9378 11.9378 12.2707 12.2707 12.2853 12.2853 12.5100 12.5100 12.5550 12.5550 12.8089 12.8089 12.8175 12.8175 12.9797 12.9797 13.0609 13.0609 13.8244 13.8244 13.8493 13.8493 14.2703 14.2703 14.3093 14.3093 18.4173 18.4173 18.4614 18.4614 20.5221 20.5221 k = 0.2222 0.3849 0.3882 ( 2062 PWs) bands (ev): 3.7759 3.7759 3.7770 3.7770 7.6186 7.6186 7.6249 7.6249 9.3210 9.3210 9.3357 9.3357 10.2584 10.2584 10.2609 10.2609 11.2000 11.2000 11.2399 11.2399 11.3307 11.3307 11.3645 11.3645 11.9415 11.9415 11.9551 11.9551 12.2961 12.2961 12.3031 12.3031 12.4954 12.4954 12.5360 12.5360 12.8157 12.8157 12.8243 12.8243 12.9875 12.9875 13.0671 13.0671 13.8828 13.8828 13.9075 13.9075 14.2970 14.2970 14.3354 14.3354 18.3293 18.3293 18.3717 18.3717 20.4589 20.4589 k = 0.2160 0.3742 0.3882 ( 2070 PWs) bands (ev): 3.7123 3.7123 3.7133 3.7133 7.6673 7.6673 7.6732 7.6732 9.3805 9.3805 9.3945 9.3945 10.2454 10.2454 10.2472 10.2472 11.1996 11.1996 11.2369 11.2369 11.3207 11.3207 11.3518 11.3518 11.9628 11.9628 11.9734 11.9734 12.3198 12.3198 12.3217 12.3217 12.4844 12.4844 12.5189 12.5189 12.8233 12.8233 12.8318 12.8318 12.9955 12.9955 13.0735 13.0735 13.9437 13.9437 13.9684 13.9684 14.3256 14.3256 14.3631 14.3631 18.2426 18.2426 18.2832 18.2832 20.3907 20.3907 k = 0.2099 0.3635 0.3882 ( 2070 PWs) bands (ev): 3.6479 3.6479 3.6489 3.6489 7.7191 7.7191 7.7247 7.7247 9.4364 9.4364 9.4495 9.4495 10.2323 10.2323 10.2335 10.2335 11.2000 11.2000 11.2348 11.2348 11.3110 11.3110 11.3393 11.3393 11.9849 11.9849 11.9928 11.9928 12.3343 12.3343 12.3470 12.3470 12.4781 12.4781 12.5043 12.5043 12.8317 12.8317 12.8399 12.8399 13.0036 13.0036 13.0800 13.0800 14.0075 14.0075 14.0321 14.0321 14.3562 14.3562 14.3925 14.3925 18.1574 18.1574 18.1964 18.1964 20.3183 20.3183 k = 0.2037 0.3528 0.3882 ( 2070 PWs) bands (ev): 3.5833 3.5833 3.5841 3.5841 7.7737 7.7737 7.7790 7.7790 9.4881 9.4881 9.5004 9.5004 10.2193 10.2193 10.2199 10.2199 11.2010 11.2010 11.2332 11.2332 11.3015 11.3015 11.3269 11.3269 12.0077 12.0077 12.0132 12.0132 12.3457 12.3457 12.3716 12.3716 12.4773 12.4773 12.4926 12.4926 12.8408 12.8408 12.8485 12.8485 13.0119 13.0119 13.0866 13.0866 14.0743 14.0743 14.0990 14.0990 14.3890 14.3890 14.4238 14.4238 18.0740 18.0740 18.1112 18.1112 20.2425 20.2425 k = 0.1975 0.3421 0.3882 ( 2066 PWs) bands (ev): 3.5186 3.5186 3.5193 3.5193 7.8308 7.8308 7.8357 7.8357 9.5352 9.5352 9.5465 9.5465 10.2068 10.2068 10.2068 10.2068 11.2026 11.2026 11.2322 11.2322 11.2924 11.2924 11.3148 11.3148 12.0311 12.0311 12.0345 12.0345 12.3540 12.3540 12.3946 12.3946 12.4823 12.4823 12.4848 12.4848 12.8505 12.8505 12.8577 12.8577 13.0202 13.0202 13.0933 13.0933 14.1442 14.1442 14.1692 14.1692 14.4241 14.4241 14.4571 14.4571 17.9924 17.9924 18.0280 18.0280 20.1641 20.1641 k = 0.1914 0.3314 0.3882 ( 2064 PWs) bands (ev): 3.4541 3.4541 3.4548 3.4548 7.8900 7.8900 7.8947 7.8947 9.5772 9.5772 9.5875 9.5875 10.1942 10.1942 10.1948 10.1948 11.2047 11.2047 11.2313 11.2313 11.2839 11.2839 11.3029 11.3029 12.0550 12.0550 12.0567 12.0567 12.3597 12.3597 12.4143 12.4143 12.4825 12.4825 12.4924 12.4924 12.8607 12.8607 12.8673 12.8673 13.0285 13.0285 13.0999 13.0999 14.2174 14.2174 14.2429 14.2429 14.4616 14.4616 14.4924 14.4924 17.9128 17.9128 17.9468 17.9468 20.0838 20.0838 k = 0.1852 0.3208 0.3882 ( 2060 PWs) bands (ev): 3.3901 3.3901 3.3906 3.3906 7.9511 7.9511 7.9554 7.9554 9.6138 9.6138 9.6231 9.6231 10.1825 10.1825 10.1836 10.1836 11.2070 11.2070 11.2302 11.2302 11.2761 11.2761 11.2913 11.2913 12.0794 12.0794 12.0795 12.0795 12.3644 12.3644 12.4284 12.4284 12.4879 12.4879 12.5060 12.5060 12.8716 12.8716 12.8775 12.8775 13.0369 13.0369 13.1065 13.1065 14.2938 14.2938 14.3204 14.3204 14.5020 14.5020 14.5299 14.5299 17.8355 17.8355 17.8679 17.8679 20.0022 20.0022 k = 0.1790 0.3101 0.3882 ( 2060 PWs) bands (ev): 3.3267 3.3267 3.3272 3.3272 8.0136 8.0136 8.0178 8.0178 9.6447 9.6447 9.6530 9.6530 10.1719 10.1719 10.1735 10.1735 11.2095 11.2095 11.2283 11.2283 11.2693 11.2693 11.2799 11.2799 12.1030 12.1030 12.1042 12.1042 12.3695 12.3695 12.4366 12.4366 12.5014 12.5014 12.5219 12.5219 12.8828 12.8828 12.8880 12.8880 13.0451 13.0451 13.1129 13.1129 14.3733 14.3733 14.4019 14.4019 14.5457 14.5457 14.5697 14.5697 17.7605 17.7605 17.7914 17.7914 19.9198 19.9198 k = 0.1728 0.2994 0.3882 ( 2060 PWs) bands (ev): 3.2642 3.2642 3.2646 3.2646 8.0775 8.0775 8.0815 8.0815 9.6698 9.6698 9.6770 9.6770 10.1625 10.1625 10.1645 10.1645 11.2119 11.2119 11.2253 11.2253 11.2640 11.2640 11.2689 11.2689 12.1271 12.1271 12.1293 12.1293 12.3758 12.3758 12.4420 12.4420 12.5196 12.5196 12.5387 12.5387 12.8945 12.8945 12.8989 12.8989 13.0532 13.0532 13.1191 13.1191 14.4553 14.4553 14.4875 14.4875 14.5935 14.5935 14.6118 14.6118 17.6881 17.6881 17.7174 17.7174 19.8373 19.8373 k = 0.1667 0.2887 0.3882 ( 2064 PWs) bands (ev): 3.2027 3.2027 3.2031 3.2031 8.1425 8.1425 8.1462 8.1462 9.6891 9.6891 9.6954 9.6954 10.1544 10.1544 10.1568 10.1568 11.2140 11.2140 11.2210 11.2210 11.2582 11.2582 11.2599 11.2599 12.1516 12.1516 12.1548 12.1548 12.3839 12.3839 12.4474 12.4474 12.5396 12.5396 12.5559 12.5559 12.9064 12.9064 12.9101 12.9101 13.0612 13.0612 13.1250 13.1250 14.5384 14.5384 14.5774 14.5774 14.6472 14.6472 14.6565 14.6565 17.6183 17.6183 17.6462 17.6462 19.7549 19.7549 k = 0.1605 0.2780 0.3882 ( 2068 PWs) bands (ev): 3.1425 3.1425 3.1429 3.1429 8.2082 8.2082 8.2118 8.2118 9.7027 9.7027 9.7080 9.7080 10.1477 10.1477 10.1505 10.1505 11.2154 11.2154 11.2156 11.2156 11.2479 11.2479 11.2567 11.2567 12.1767 12.1767 12.1806 12.1806 12.3943 12.3943 12.4544 12.4544 12.5598 12.5598 12.5731 12.5731 12.9186 12.9186 12.9214 12.9214 13.0690 13.0690 13.1307 13.1307 14.6188 14.6188 14.6716 14.6716 14.7037 14.7037 14.7105 14.7105 17.5514 17.5514 17.5779 17.5779 19.6732 19.6732 k = 0.1543 0.2673 0.3882 ( 2066 PWs) bands (ev): 3.0837 3.0837 3.0840 3.0840 8.2746 8.2746 8.2779 8.2779 9.7110 9.7110 9.7155 9.7155 10.1423 10.1423 10.1453 10.1453 11.2089 11.2089 11.2163 11.2163 11.2382 11.2382 11.2539 11.2539 12.2022 12.2022 12.2068 12.2068 12.4070 12.4070 12.4633 12.4633 12.5798 12.5798 12.5899 12.5899 12.9309 12.9309 12.9330 12.9330 13.0766 13.0766 13.1360 13.1360 14.6920 14.6920 14.7526 14.7526 14.7714 14.7714 14.7884 14.7884 17.4876 17.4876 17.5126 17.5126 19.5924 19.5924 k = 0.1481 0.2566 0.3882 ( 2070 PWs) bands (ev): 3.0263 3.0263 3.0266 3.0266 8.3413 8.3413 8.3444 8.3444 9.7146 9.7146 9.7184 9.7184 10.1379 10.1379 10.1410 10.1410 11.2019 11.2019 11.2154 11.2154 11.2293 11.2293 11.2509 11.2509 12.2280 12.2280 12.2331 12.2331 12.4218 12.4218 12.4742 12.4742 12.5991 12.5991 12.6061 12.6061 12.9432 12.9432 12.9446 12.9446 13.0839 13.0839 13.1408 13.1408 14.7580 14.7580 14.8052 14.8052 14.8746 14.8746 14.8806 14.8806 17.4270 17.4270 17.4507 17.4507 19.5129 19.5129 k = 0.1420 0.2459 0.3882 ( 2068 PWs) bands (ev): 2.9706 2.9706 2.9709 2.9709 8.4081 8.4081 8.4111 8.4111 9.7140 9.7140 9.7172 9.7172 10.1343 10.1343 10.1374 10.1374 11.1946 11.1946 11.2118 11.2118 11.2226 11.2226 11.2474 11.2474 12.2541 12.2541 12.2596 12.2596 12.4387 12.4387 12.4871 12.4871 12.6176 12.6176 12.6218 12.6218 12.9555 12.9555 12.9563 12.9563 13.0908 13.0908 13.1452 13.1452 14.8210 14.8210 14.8599 14.8599 14.9828 14.9828 14.9830 14.9830 17.3700 17.3700 17.3924 17.3924 19.4349 19.4349 k = 0.1358 0.2352 0.3882 ( 2068 PWs) bands (ev): 2.9167 2.9167 2.9169 2.9169 8.4749 8.4749 8.4777 8.4777 9.7098 9.7098 9.7125 9.7125 10.1311 10.1311 10.1341 10.1341 11.1873 11.1873 11.2050 11.2050 11.2183 11.2183 11.2432 11.2432 12.2801 12.2801 12.2860 12.2860 12.4575 12.4575 12.5017 12.5017 12.6354 12.6354 12.6368 12.6368 12.9676 12.9676 12.9678 12.9678 13.0973 13.0973 13.1490 13.1490 14.8839 14.8839 14.9170 14.9170 15.0925 15.0925 15.0956 15.0956 17.3168 17.3168 17.3379 17.3379 19.3588 19.3588 k = 0.1296 0.2245 0.3882 ( 2072 PWs) bands (ev): 2.8645 2.8645 2.8647 2.8647 8.5414 8.5414 8.5440 8.5440 9.7028 9.7028 9.7051 9.7051 10.1280 10.1280 10.1308 10.1308 11.1800 11.1800 11.1969 11.1969 11.2146 11.2146 11.2380 11.2380 12.3060 12.3060 12.3121 12.3121 12.4780 12.4780 12.5179 12.5179 12.6512 12.6512 12.6525 12.6525 12.9791 12.9791 12.9794 12.9794 13.1034 13.1034 13.1523 13.1523 14.9477 14.9477 14.9763 14.9763 15.2079 15.2079 15.2129 15.2129 17.2676 17.2676 17.2874 17.2874 19.2848 19.2848 k = 0.1235 0.2138 0.3882 ( 2064 PWs) bands (ev): 2.8144 2.8144 2.8145 2.8145 8.6075 8.6075 8.6100 8.6100 9.6936 9.6936 9.6956 9.6956 10.1247 10.1247 10.1273 10.1273 11.1729 11.1729 11.1886 11.1886 11.2105 11.2105 11.2321 11.2321 12.3315 12.3315 12.3377 12.3377 12.5001 12.5001 12.5356 12.5356 12.6653 12.6653 12.6690 12.6690 12.9901 12.9901 12.9909 12.9909 13.1090 13.1090 13.1549 13.1549 15.0129 15.0129 15.0377 15.0377 15.3283 15.3283 15.3348 15.3348 17.2229 17.2229 17.2415 17.2415 19.2131 19.2131 k = 0.1173 0.2031 0.3882 ( 2064 PWs) bands (ev): 2.7662 2.7662 2.7663 2.7663 8.6729 8.6729 8.6752 8.6752 9.6827 9.6827 9.6844 9.6844 10.1209 10.1209 10.1233 10.1233 11.1659 11.1659 11.1804 11.1804 11.2055 11.2055 11.2252 11.2252 12.3562 12.3562 12.3624 12.3624 12.5234 12.5234 12.5543 12.5543 12.6789 12.6789 12.6850 12.6850 13.0007 13.0007 13.0019 13.0019 13.1139 13.1139 13.1569 13.1569 15.0793 15.0793 15.1006 15.1006 15.4533 15.4533 15.4607 15.4607 17.1831 17.1831 17.2005 17.2005 19.1439 19.1439 k = 0.1111 0.1925 0.3882 ( 2068 PWs) bands (ev): 2.7201 2.7201 2.7203 2.7203 8.7374 8.7374 8.7396 8.7396 9.6705 9.6705 9.6720 9.6720 10.1165 10.1165 10.1186 10.1186 11.1591 11.1591 11.1724 11.1724 11.1997 11.1997 11.2176 11.2176 12.3798 12.3798 12.3858 12.3858 12.5477 12.5477 12.5741 12.5741 12.6924 12.6924 12.7007 12.7007 13.0107 13.0107 13.0123 13.0123 13.1183 13.1183 13.1582 13.1582 15.1466 15.1466 15.1648 15.1648 15.5825 15.5825 15.5906 15.5906 17.1486 17.1486 17.1648 17.1648 19.0775 19.0775 k = 0.1049 0.1818 0.3882 ( 2072 PWs) bands (ev): 2.6762 2.6762 2.6763 2.6763 8.8010 8.8010 8.8030 8.8030 9.6575 9.6575 9.6588 9.6588 10.1113 10.1113 10.1132 10.1132 11.1526 11.1526 11.1647 11.1647 11.1933 11.1933 11.2093 11.2093 12.4021 12.4021 12.4077 12.4077 12.5730 12.5730 12.5948 12.5948 12.7058 12.7058 12.7161 12.7161 13.0201 13.0201 13.0219 13.0219 13.1219 13.1219 13.1587 13.1587 15.2144 15.2144 15.2297 15.2297 15.7155 15.7155 15.7242 15.7242 17.1199 17.1199 17.1350 17.1350 19.0140 19.0140 k = 0.0988 0.1711 0.3882 ( 2072 PWs) bands (ev): 2.6346 2.6346 2.6346 2.6346 8.8634 8.8634 8.8652 8.8652 9.6440 9.6440 9.6453 9.6453 10.1053 10.1053 10.1069 10.1069 11.1463 11.1463 11.1573 11.1573 11.1863 11.1863 11.2006 11.2006 12.4227 12.4227 12.4278 12.4278 12.5989 12.5989 12.6160 12.6160 12.7193 12.7193 12.7315 12.7315 13.0289 13.0289 13.0309 13.0309 13.1250 13.1250 13.1586 13.1586 15.2820 15.2820 15.2948 15.2948 15.8519 15.8519 15.8611 15.8611 17.0978 17.0978 17.1118 17.1118 18.9537 18.9537 k = 0.0926 0.1604 0.3882 ( 2070 PWs) bands (ev): 2.5952 2.5952 2.5952 2.5952 8.9244 8.9244 8.9261 8.9261 9.6304 9.6304 9.6315 9.6315 10.0983 10.0983 10.0997 10.0997 11.1403 11.1403 11.1502 11.1502 11.1790 11.1790 11.1917 11.1917 12.4416 12.4416 12.4461 12.4461 12.6251 12.6251 12.6378 12.6378 12.7333 12.7333 12.7471 12.7471 13.0369 13.0369 13.0390 13.0390 13.1273 13.1273 13.1577 13.1577 15.3487 15.3487 15.3591 15.3591 15.9913 15.9913 16.0009 16.0009 17.0828 17.0828 17.0958 17.0958 18.8967 18.8967 k = 0.0864 0.1497 0.3882 ( 2062 PWs) bands (ev): 2.5581 2.5581 2.5582 2.5582 8.9840 8.9840 8.9855 8.9855 9.6168 9.6168 9.6178 9.6178 10.0905 10.0905 10.0917 10.0917 11.1346 11.1346 11.1434 11.1434 11.1716 11.1716 11.1827 11.1827 12.4586 12.4586 12.4624 12.4624 12.6515 12.6515 12.6599 12.6599 12.7477 12.7477 12.7628 12.7628 13.0442 13.0442 13.0463 13.0463 13.1290 13.1290 13.1561 13.1561 15.4137 15.4137 15.4219 15.4219 16.1332 16.1332 16.1430 16.1430 17.0758 17.0758 17.0877 17.0877 18.8434 18.8434 k = 0.0802 0.1390 0.3882 ( 2070 PWs) bands (ev): 2.5234 2.5234 2.5235 2.5235 9.0417 9.0417 9.0431 9.0431 9.6033 9.6033 9.6042 9.6042 10.0816 10.0816 10.0825 10.0825 11.1291 11.1291 11.1369 11.1369 11.1639 11.1639 11.1736 11.1736 12.4735 12.4735 12.4766 12.4766 12.6774 12.6774 12.6819 12.6819 12.7625 12.7625 12.7785 12.7785 13.0504 13.0504 13.0525 13.0525 13.1298 13.1298 13.1538 13.1538 15.4758 15.4758 15.4822 15.4822 16.2768 16.2768 16.2867 16.2867 17.0775 17.0775 17.0885 17.0885 18.7940 18.7940 k = 0.0741 0.1283 0.3882 ( 2066 PWs) bands (ev): 2.4912 2.4912 2.4912 2.4912 9.0977 9.0977 9.0990 9.0990 9.5904 9.5904 9.5912 9.5912 10.0716 10.0716 10.0724 10.0724 11.1239 11.1239 11.1307 11.1307 11.1565 11.1565 11.1648 11.1648 12.4865 12.4865 12.4890 12.4890 12.7026 12.7026 12.7039 12.7039 12.7780 12.7780 12.7946 12.7946 13.0559 13.0559 13.0578 13.0578 13.1300 13.1300 13.1508 13.1508 15.5343 15.5343 15.5390 15.5390 16.4216 16.4216 16.4314 16.4314 17.0886 17.0886 17.0987 17.0987 18.7488 18.7488 k = 0.0679 0.1176 0.3882 ( 2066 PWs) bands (ev): 2.4614 2.4614 2.4614 2.4614 9.1516 9.1516 9.1527 9.1527 9.5781 9.5781 9.5789 9.5789 10.0607 10.0607 10.0614 10.0614 11.1190 11.1190 11.1249 11.1249 11.1492 11.1492 11.1561 11.1561 12.4975 12.4975 12.4995 12.4995 12.7254 12.7254 12.7267 12.7267 12.7941 12.7941 12.8106 12.8106 13.0604 13.0604 13.0620 13.0620 13.1295 13.1295 13.1473 13.1473 15.5881 15.5881 15.5915 15.5915 16.5667 16.5667 16.5760 16.5760 17.1096 17.1096 17.1191 17.1191 18.7081 18.7081 k = 0.0617 0.1069 0.3882 ( 2058 PWs) bands (ev): 2.4341 2.4341 2.4341 2.4341 9.2032 9.2032 9.2042 9.2042 9.5665 9.5665 9.5672 9.5672 10.0490 10.0490 10.0495 10.0495 11.1145 11.1145 11.1194 11.1194 11.1424 11.1424 11.1482 11.1482 12.5068 12.5068 12.5083 12.5083 12.7464 12.7464 12.7495 12.7495 12.8109 12.8109 12.8267 12.8267 13.0640 13.0640 13.0653 13.0653 13.1285 13.1285 13.1432 13.1432 15.6365 15.6365 15.6389 15.6389 16.7110 16.7110 16.7196 16.7196 17.1408 17.1408 17.1499 17.1499 18.6724 18.6724 k = 0.0556 0.0962 0.3882 ( 2054 PWs) bands (ev): 2.4093 2.4093 2.4093 2.4093 9.2523 9.2523 9.2531 9.2531 9.5558 9.5558 9.5564 9.5564 10.0365 10.0365 10.0369 10.0369 11.1102 11.1102 11.1142 11.1142 11.1360 11.1360 11.1406 11.1406 12.5146 12.5146 12.5156 12.5156 12.7664 12.7664 12.7705 12.7705 12.8281 12.8281 12.8424 12.8424 13.0667 13.0667 13.0677 13.0677 13.1269 13.1269 13.1388 13.1388 15.6790 15.6790 15.6805 15.6805 16.8534 16.8534 16.8605 16.8605 17.1819 17.1819 17.1913 17.1913 18.6421 18.6422 k = 0.0494 0.0855 0.3882 ( 2054 PWs) bands (ev): 2.3870 2.3870 2.3870 2.3870 9.2985 9.2985 9.2992 9.2992 9.5459 9.5459 9.5465 9.5465 10.0233 10.0233 10.0236 10.0236 11.1062 11.1062 11.1093 11.1093 11.1301 11.1301 11.1336 11.1336 12.5209 12.5209 12.5216 12.5216 12.7854 12.7854 12.7896 12.7896 12.8453 12.8453 12.8577 12.8577 13.0684 13.0684 13.0690 13.0690 13.1248 13.1248 13.1340 13.1340 15.7153 15.7153 15.7163 15.7163 16.9923 16.9923 16.9970 16.9970 17.2324 17.2324 17.2427 17.2427 18.6180 18.6180 k = 0.0432 0.0748 0.3882 ( 2054 PWs) bands (ev): 2.3673 2.3673 2.3673 2.3673 9.3416 9.3416 9.3422 9.3422 9.5370 9.5370 9.5375 9.5375 10.0097 10.0097 10.0099 10.0099 11.1026 11.1026 11.1048 11.1048 11.1249 11.1249 11.1274 11.1274 12.5260 12.5260 12.5265 12.5265 12.8031 12.8031 12.8068 12.8068 12.8623 12.8623 12.8722 12.8722 13.0692 13.0692 13.0695 13.0695 13.1222 13.1222 13.1290 13.1290 15.7456 15.7456 15.7462 15.7462 17.1259 17.1259 17.1267 17.1267 17.2908 17.2908 17.3033 17.3033 18.6008 18.6008 k = 0.0370 0.0642 0.3882 ( 2052 PWs) bands (ev): 2.3502 2.3502 2.3502 2.3502 9.3811 9.3811 9.3815 9.3815 9.5292 9.5292 9.5296 9.5296 9.9960 9.9960 9.9962 9.9962 11.0992 11.0992 11.1006 11.1006 11.1204 11.1204 11.1220 11.1220 12.5301 12.5301 12.5304 12.5304 12.8192 12.8192 12.8222 12.8222 12.8784 12.8784 12.8858 12.8858 13.0693 13.0693 13.0693 13.0693 13.1194 13.1194 13.1240 13.1240 15.7702 15.7702 15.7706 15.7706 17.2468 17.2468 17.2517 17.2517 17.3553 17.3553 17.3716 17.3716 18.5912 18.5912 k = 0.0309 0.0535 0.3882 ( 2048 PWs) bands (ev): 2.3357 2.3357 2.3357 2.3357 9.4165 9.4165 9.4169 9.4169 9.5225 9.5225 9.5229 9.5229 9.9826 9.9826 9.9827 9.9827 11.0962 11.0962 11.0971 11.0971 11.1167 11.1167 11.1177 11.1177 12.5332 12.5332 12.5334 12.5334 12.8335 12.8335 12.8356 12.8356 12.8931 12.8931 12.8981 12.8981 13.0686 13.0686 13.0687 13.0687 13.1165 13.1165 13.1193 13.1193 15.7897 15.7897 15.7899 15.7899 17.3541 17.3541 17.3661 17.3661 17.4239 17.4239 17.4450 17.4450 18.5902 18.5903 k = 0.0247 0.0428 0.3882 ( 2048 PWs) bands (ev): 2.3238 2.3238 2.3238 2.3238 9.4471 9.4471 9.4474 9.4474 9.5170 9.5170 9.5173 9.5173 9.9700 9.9700 9.9701 9.9701 11.0936 11.0936 11.0940 11.0940 11.1136 11.1136 11.1141 11.1141 12.5357 12.5357 12.5357 12.5357 12.8459 12.8459 12.8471 12.8471 12.9060 12.9060 12.9089 12.9089 13.0675 13.0675 13.0677 13.0677 13.1134 13.1134 13.1150 13.1150 15.8045 15.8045 15.8046 15.8046 17.4462 17.4462 17.4622 17.4622 17.4965 17.4965 17.5189 17.5189 18.5980 18.5980 k = 0.0185 0.0321 0.3882 ( 2048 PWs) bands (ev): 2.3146 2.3146 2.3146 2.3146 9.4722 9.4722 9.4724 9.4724 9.5127 9.5127 9.5129 9.5129 9.9590 9.9590 9.9590 9.9590 11.0914 11.0914 11.0916 11.0916 11.1112 11.1112 11.1114 11.1114 12.5374 12.5374 12.5375 12.5375 12.8559 12.8559 12.8565 12.8565 12.9165 12.9165 12.9178 12.9178 13.0663 13.0663 13.0664 13.0664 13.1106 13.1106 13.1113 13.1113 15.8154 15.8154 15.8154 15.8154 17.5221 17.5221 17.5329 17.5329 17.5719 17.5719 17.5864 17.5864 18.6134 18.6134 k = 0.0123 0.0214 0.3882 ( 2048 PWs) bands (ev): 2.3080 2.3080 2.3080 2.3080 9.4911 9.4911 9.4912 9.4912 9.5096 9.5096 9.5097 9.5097 9.9502 9.9502 9.9502 9.9502 11.0897 11.0897 11.0898 11.0898 11.1094 11.1094 11.1095 11.1095 12.5386 12.5386 12.5386 12.5386 12.8633 12.8633 12.8635 12.8635 12.9241 12.9241 12.9246 12.9246 13.0653 13.0653 13.0653 13.0653 13.1083 13.1083 13.1085 13.1085 15.8228 15.8228 15.8228 15.8228 17.5798 17.5798 17.5838 17.5838 17.6351 17.6351 17.6405 17.6405 18.6329 18.6332 k = 0.0062 0.0107 0.3882 ( 2048 PWs) bands (ev): 2.3040 2.3040 2.3040 2.3040 9.5027 9.5027 9.5028 9.5028 9.5078 9.5078 9.5079 9.5079 9.9446 9.9446 9.9446 9.9446 11.0887 11.0887 11.0887 11.0887 11.1084 11.1084 11.1084 11.1084 12.5393 12.5393 12.5393 12.5393 12.8678 12.8678 12.8678 12.8678 12.9288 12.9288 12.9288 12.9288 13.0645 13.0645 13.0646 13.0646 13.1068 13.1068 13.1068 13.1068 15.8270 15.8270 15.8270 15.8270 17.6159 17.6159 17.6165 17.6165 17.6754 17.6754 17.6762 17.6762 18.6499 18.6502 k = 0.0000 0.0000 0.3882 ( 2048 PWs) bands (ev): 2.3027 2.3027 2.3027 2.3027 9.5062 9.5062 9.5062 9.5062 9.5077 9.5077 9.5077 9.5077 9.9427 9.9427 9.9427 9.9427 11.0883 11.0883 11.0883 11.0883 11.1081 11.1081 11.1081 11.1081 12.5395 12.5395 12.5395 12.5395 12.8693 12.8693 12.8693 12.8693 12.9303 12.9303 12.9303 12.9303 13.0643 13.0643 13.0643 13.0643 13.1062 13.1062 13.1062 13.1062 15.8284 15.8284 15.8284 15.8284 17.6280 17.6280 17.6280 17.6280 17.6890 17.6890 17.6890 17.6890 18.6556 18.6556 k = 0.5000 0.2887 0.3882 ( 2076 PWs) bands (ev): 4.1457 4.1457 4.1457 4.1457 6.8151 6.8151 6.8151 6.8151 9.9770 9.9770 9.9770 9.9770 10.3227 10.3227 10.3227 10.3227 11.1482 11.1482 11.1482 11.1482 11.3173 11.3173 11.3173 11.3173 11.9232 11.9232 11.9232 11.9232 12.0536 12.0536 12.0536 12.0536 12.6314 12.6314 12.6314 12.6314 12.7047 12.7047 12.7047 12.7047 13.0469 13.0469 13.0469 13.0469 13.3759 13.3759 13.3759 13.3759 15.1944 15.1944 15.1944 15.1944 16.9941 16.9941 16.9941 16.9941 20.3165 20.3165 k = 0.5000 0.2887 0.3761 ( 2080 PWs) bands (ev): 4.1126 4.1126 4.1767 4.1767 6.7719 6.7719 6.8638 6.8638 9.9377 9.9377 10.0165 10.0165 10.3188 10.3188 10.3272 10.3272 11.1227 11.1227 11.1732 11.1732 11.2958 11.2958 11.3393 11.3393 11.9218 11.9218 11.9238 11.9238 12.0427 12.0427 12.0633 12.0633 12.6115 12.6115 12.6494 12.6494 12.6976 12.6976 12.7140 12.7140 13.0458 13.0458 13.0475 13.0475 13.3758 13.3758 13.3766 13.3766 15.1064 15.1064 15.2841 15.2841 16.9522 16.9522 17.0351 17.0351 20.1096 20.1096 k = 0.5000 0.2887 0.3639 ( 2080 PWs) bands (ev): 4.0777 4.0777 4.2054 4.2054 6.7343 6.7343 6.9176 6.9176 9.8992 9.8992 10.0562 10.0562 10.3157 10.3157 10.3324 10.3324 11.0966 11.0966 11.1975 11.1975 11.2751 11.2751 11.3619 11.3619 11.9195 11.9195 11.9236 11.9236 12.0313 12.0313 12.0716 12.0716 12.5904 12.5904 12.6652 12.6652 12.6925 12.6925 12.7256 12.7256 13.0444 13.0444 13.0477 13.0477 13.3763 13.3763 13.3780 13.3780 15.0201 15.0201 15.3756 15.3756 16.9093 16.9093 17.0754 17.0754 19.9061 19.9061 k = 0.5000 0.2887 0.3518 ( 2076 PWs) bands (ev): 4.0415 4.0415 4.2313 4.2313 6.7025 6.7025 6.9763 6.9763 9.8615 9.8615 10.0958 10.0958 10.3133 10.3133 10.3384 10.3384 11.0702 11.0702 11.2200 11.2200 11.2563 11.2563 11.3848 11.3848 11.9160 11.9160 11.9224 11.9224 12.0201 12.0201 12.0783 12.0783 12.5687 12.5687 12.6788 12.6788 12.6893 12.6893 12.7392 12.7392 13.0429 13.0429 13.0473 13.0473 13.3771 13.3771 13.3802 13.3802 14.9358 14.9358 15.4686 15.4686 16.8650 16.8650 17.1149 17.1149 19.7076 19.7076 k = 0.5000 0.2887 0.3397 ( 2078 PWs) bands (ev): 4.0041 4.0041 4.2544 4.2544 6.6768 6.6768 7.0395 7.0395 9.8249 9.8249 10.1349 10.1349 10.3116 10.3116 10.3451 10.3451 11.0433 11.0433 11.2278 11.2278 11.2523 11.2523 11.4080 11.4080 11.9105 11.9105 11.9203 11.9203 12.0101 12.0101 12.0829 12.0829 12.5468 12.5468 12.6872 12.6872 12.6910 12.6910 12.7538 12.7538 13.0410 13.0410 13.0465 13.0465 13.3782 13.3782 13.3835 13.3835 14.8534 14.8534 15.5632 15.5632 16.8190 16.8190 17.1535 17.1535 19.5152 19.5152 k = 0.5000 0.2887 0.3275 ( 2080 PWs) bands (ev): 3.9659 3.9659 4.2742 4.2742 6.6572 6.6572 7.1071 7.1071 9.7896 9.7896 10.1732 10.1732 10.3106 10.3106 10.3523 10.3523 11.0160 11.0160 11.2122 11.2122 11.2717 11.2717 11.4315 11.4315 11.9019 11.9019 11.9175 11.9175 12.0024 12.0024 12.0856 12.0856 12.5250 12.5250 12.6870 12.6870 12.7014 12.7014 12.7686 12.7686 13.0390 13.0390 13.0451 13.0451 13.3794 13.3794 13.3880 13.3880 14.7730 14.7730 15.6592 15.6592 16.7710 16.7710 17.1908 17.1908 19.3295 19.3295 k = 0.5000 0.2887 0.3154 ( 2082 PWs) bands (ev): 3.9271 3.9271 4.2908 4.2908 6.6436 6.6436 7.1786 7.1786 9.7560 9.7560 10.2106 10.2106 10.3103 10.3103 10.3601 10.3601 10.9884 10.9884 11.1943 11.1943 11.2935 11.2935 11.4549 11.4549 11.8897 11.8897 11.9140 11.9140 11.9975 11.9975 12.0864 12.0864 12.5037 12.5037 12.6879 12.6879 12.7112 12.7112 12.7828 12.7828 13.0371 13.0371 13.0432 13.0432 13.3804 13.3804 13.3939 13.3939 14.6947 14.6947 15.7565 15.7565 16.7204 16.7204 17.2262 17.2262 19.1514 19.1514 k = 0.5000 0.2887 0.3033 ( 2082 PWs) bands (ev): 3.8882 3.8882 4.3041 4.3041 6.6361 6.6361 7.2539 7.2539 9.7240 9.7240 10.2464 10.2464 10.3108 10.3108 10.3686 10.3686 10.9603 10.9603 11.1770 11.1770 11.3152 11.3152 11.4785 11.4785 11.8740 11.8740 11.9101 11.9101 11.9955 11.9955 12.0851 12.0851 12.4833 12.4833 12.6899 12.6899 12.7205 12.7205 12.7957 12.7957 13.0350 13.0350 13.0409 13.0409 13.3813 13.3813 13.4014 13.4014 14.6185 14.6185 15.8551 15.8551 16.6667 16.6667 17.2587 17.2587 18.9815 18.9815 k = 0.5000 0.2887 0.2912 ( 2078 PWs) bands (ev): 3.8493 3.8493 4.3139 4.3139 6.6344 6.6344 7.3327 7.3327 9.6941 9.6941 10.2803 10.2803 10.3121 10.3121 10.3778 10.3778 10.9319 10.9319 11.1605 11.1605 11.3364 11.3364 11.5021 11.5021 11.8554 11.8554 11.9056 11.9056 11.9962 11.9962 12.0820 12.0820 12.4642 12.4642 12.6928 12.6928 12.7295 12.7295 12.8070 12.8070 13.0331 13.0331 13.0382 13.0382 13.3819 13.3819 13.4104 13.4104 14.5445 14.5445 15.9548 15.9548 16.6094 16.6094 17.2871 17.2871 18.8207 18.8207 k = 0.5000 0.2887 0.2790 ( 2074 PWs) bands (ev): 3.8106 3.8106 4.3205 4.3205 6.6384 6.6384 7.4146 7.4146 9.6663 9.6663 10.3090 10.3090 10.3168 10.3168 10.3876 10.3876 10.9030 10.9030 11.1449 11.1449 11.3572 11.3572 11.5257 11.5257 11.8346 11.8346 11.9003 11.9003 11.9988 11.9988 12.0773 12.0773 12.4463 12.4463 12.6965 12.6965 12.7382 12.7382 12.8164 12.8164 13.0313 13.0313 13.0351 13.0351 13.3821 13.3821 13.4209 13.4209 14.4727 14.4727 16.0555 16.0555 16.5481 16.5481 17.3094 17.3094 18.6695 18.6695 k = 0.5000 0.2887 0.2669 ( 2070 PWs) bands (ev): 3.7724 3.7724 4.3240 4.3240 6.6475 6.6475 7.4994 7.4994 9.6410 9.6410 10.3149 10.3149 10.3422 10.3422 10.3980 10.3980 10.8738 10.8738 11.1303 11.1303 11.3775 11.3775 11.5488 11.5488 11.8121 11.8121 11.8943 11.8943 12.0031 12.0031 12.0710 12.0710 12.4302 12.4302 12.7007 12.7007 12.7465 12.7465 12.8238 12.8238 13.0297 13.0297 13.0319 13.0319 13.3819 13.3819 13.4330 13.4330 14.4033 14.4033 16.1571 16.1571 16.4824 16.4824 17.3230 17.3230 18.5288 18.5288 k = 0.5000 0.2887 0.2548 ( 2074 PWs) bands (ev): 3.7348 3.7348 4.3245 4.3245 6.6615 6.6615 7.5870 7.5870 9.6181 9.6181 10.3179 10.3179 10.3674 10.3674 10.4092 10.4092 10.8439 10.8439 11.1168 11.1168 11.3973 11.3973 11.5712 11.5712 11.7885 11.7885 11.8874 11.8874 12.0085 12.0085 12.0634 12.0634 12.4157 12.4157 12.7049 12.7049 12.7544 12.7544 12.8291 12.8291 13.0281 13.0281 13.0288 13.0288 13.3812 13.3812 13.4463 13.4463 14.3362 14.3362 16.2592 16.2592 16.4121 16.4121 17.3248 17.3248 18.3988 18.3988 k = 0.5000 0.2887 0.2426 ( 2080 PWs) bands (ev): 3.6981 3.6981 4.3223 4.3223 6.6798 6.6798 7.6769 7.6769 9.5980 9.5980 10.3213 10.3213 10.3888 10.3888 10.4212 10.4212 10.8135 10.8135 11.1045 11.1045 11.4170 11.4170 11.5927 11.5927 11.7644 11.7644 11.8794 11.8794 12.0151 12.0151 12.0548 12.0548 12.4032 12.4032 12.7092 12.7092 12.7619 12.7619 12.8324 12.8324 13.0249 13.0249 13.0275 13.0275 13.3799 13.3799 13.4608 13.4608 14.2715 14.2715 16.3345 16.3345 16.3645 16.3645 17.3116 17.3116 18.2800 18.2800 k = 0.5000 0.2887 0.2305 ( 2072 PWs) bands (ev): 3.6623 3.6623 4.3178 4.3178 6.7019 6.7019 7.7690 7.7690 9.5809 9.5809 10.3251 10.3251 10.4061 10.4061 10.4336 10.4336 10.7826 10.7826 11.0934 11.0934 11.4366 11.4366 11.6127 11.6127 11.7406 11.7406 11.8709 11.8709 12.0224 12.0224 12.0459 12.0459 12.3929 12.3929 12.7132 12.7132 12.7687 12.7687 12.8343 12.8343 13.0216 13.0216 13.0270 13.0270 13.3783 13.3783 13.4764 13.4764 14.2093 14.2093 16.2564 16.2564 16.4661 16.4661 17.2808 17.2808 18.1724 18.1724 k = 0.5000 0.2887 0.2184 ( 2062 PWs) bands (ev): 3.6277 3.6277 4.3113 4.3113 6.7271 6.7271 7.8631 7.8631 9.5670 9.5670 10.3294 10.3294 10.4196 10.4196 10.4456 10.4456 10.7510 10.7510 11.0837 11.0837 11.4564 11.4564 11.6293 11.6293 11.7188 11.7188 11.8615 11.8615 12.0284 12.0284 12.0390 12.0390 12.3847 12.3847 12.7164 12.7164 12.7751 12.7751 12.8350 12.8350 13.0182 13.0182 13.0269 13.0269 13.3759 13.3759 13.4929 13.4929 14.1498 14.1498 16.1725 16.1725 16.5694 16.5694 17.2317 17.2317 18.0758 18.0758 k = 0.5000 0.2887 0.2062 ( 2064 PWs) bands (ev): 3.5944 3.5944 4.3030 4.3030 6.7549 6.7549 7.9588 7.9588 9.5563 9.5563 10.3339 10.3339 10.4297 10.4297 10.4560 10.4560 10.7187 10.7187 11.0754 11.0754 11.4762 11.4762 11.6375 11.6375 11.7039 11.7039 11.8514 11.8514 12.0239 12.0239 12.0430 12.0430 12.3785 12.3785 12.7187 12.7187 12.7804 12.7804 12.8350 12.8350 13.0147 13.0147 13.0270 13.0270 13.3727 13.3727 13.5097 13.5097 14.0929 14.0929 16.0849 16.0849 16.6726 16.6726 17.1662 17.1662 17.9899 17.9899 k = 0.5000 0.2887 0.1941 ( 2072 PWs) bands (ev): 3.5625 3.5625 4.2934 4.2934 6.7845 6.7845 8.0559 8.0559 9.5489 9.5489 10.3387 10.3387 10.4360 10.4360 10.4647 10.4647 10.6855 10.6855 11.0685 11.0685 11.4964 11.4964 11.6301 11.6301 11.7029 11.7029 11.8406 11.8406 12.0153 12.0153 12.0517 12.0517 12.3745 12.3745 12.7194 12.7194 12.7848 12.7848 12.8350 12.8350 13.0113 13.0113 13.0275 13.0275 13.3688 13.3688 13.5269 13.5269 14.0386 14.0386 15.9947 15.9947 16.7753 16.7753 17.0876 17.0876 17.9141 17.9141 k = 0.5000 0.2887 0.1820 ( 2072 PWs) bands (ev): 3.5320 3.5320 4.2828 4.2828 6.8155 6.8155 8.1542 8.1542 9.5452 9.5452 10.3438 10.3438 10.4373 10.4373 10.4729 10.4729 10.6518 10.6518 11.0632 11.0632 11.5166 11.5166 11.6112 11.6112 11.7119 11.7119 11.8295 11.8295 12.0071 12.0071 12.0612 12.0612 12.3725 12.3725 12.7186 12.7186 12.7884 12.7884 12.8355 12.8355 13.0078 13.0078 13.0285 13.0285 13.3641 13.3641 13.5441 13.5441 13.9872 13.9872 15.9029 15.9029 16.8765 16.8765 17.0011 17.0011 17.8475 17.8475 k = 0.5000 0.2887 0.1698 ( 2064 PWs) bands (ev): 3.5031 3.5031 4.2714 4.2714 6.8472 6.8472 8.2534 8.2534 9.5451 9.5451 10.3489 10.3489 10.4325 10.4325 10.4812 10.4812 10.6175 10.6175 11.0599 11.0599 11.5353 11.5353 11.5899 11.5899 11.7230 11.7230 11.8188 11.8188 12.0001 12.0001 12.0709 12.0709 12.3723 12.3723 12.7161 12.7161 12.7911 12.7911 12.8367 12.8367 13.0043 13.0043 13.0299 13.0299 13.3586 13.3586 13.5613 13.5613 13.9388 13.9388 15.8107 15.8107 16.9032 16.9032 16.9829 16.9829 17.7894 17.7894 k = 0.5000 0.2887 0.1577 ( 2058 PWs) bands (ev): 3.4759 3.4759 4.2597 4.2597 6.8791 6.8791 8.3532 8.3532 9.5487 9.5487 10.3538 10.3538 10.4216 10.4216 10.4897 10.4897 10.5825 10.5825 11.0580 11.0580 11.5417 11.5417 11.5800 11.5800 11.7321 11.7321 11.8093 11.8093 11.9949 11.9949 12.0799 12.0799 12.3740 12.3740 12.7119 12.7119 12.7932 12.7932 12.8385 12.8385 13.0007 13.0007 13.0317 13.0317 13.3523 13.3523 13.5780 13.5780 13.8933 13.8933 15.7192 15.7192 16.8111 16.8111 17.0805 17.0805 17.7390 17.7390 k = 0.5000 0.2887 0.1456 ( 2058 PWs) bands (ev): 3.4504 3.4504 4.2479 4.2479 6.9105 6.9105 8.4532 8.4532 9.5559 9.5559 10.3580 10.3580 10.4049 10.4049 10.4971 10.4971 10.5475 10.5475 11.0579 11.0579 11.5235 11.5235 11.5947 11.5947 11.7372 11.7372 11.8017 11.8017 11.9918 11.9918 12.0884 12.0884 12.3770 12.3770 12.7064 12.7064 12.7948 12.7948 12.8408 12.8408 12.9969 12.9969 13.0340 13.0340 13.3451 13.3451 13.5943 13.5943 13.8509 13.8509 15.6296 15.6296 16.7180 16.7180 17.1779 17.1779 17.6953 17.6953 k = 0.5000 0.2887 0.1334 ( 2060 PWs) bands (ev): 3.4268 3.4268 4.2361 4.2361 6.9410 6.9410 8.5531 8.5531 9.5667 9.5667 10.3585 10.3585 10.3855 10.3855 10.4970 10.4970 10.5187 10.5187 11.0595 11.0595 11.4982 11.4982 11.6168 11.6168 11.7371 11.7371 11.7971 11.7971 11.9911 11.9911 12.0958 12.0958 12.3813 12.3813 12.7000 12.7000 12.7959 12.7959 12.8432 12.8432 12.9931 12.9931 13.0368 13.0368 13.3370 13.3370 13.6098 13.6098 13.8116 13.8116 15.5430 15.5430 16.6276 16.6276 17.2729 17.2729 17.6577 17.6577 k = 0.5000 0.2887 0.1213 ( 2056 PWs) bands (ev): 3.4050 3.4050 4.2247 4.2247 6.9702 6.9702 8.6526 8.6526 9.5810 9.5810 10.3420 10.3420 10.3772 10.3772 10.4680 10.4680 10.5180 10.5180 11.0631 11.0631 11.4716 11.4716 11.6407 11.6407 11.7324 11.7324 11.7949 11.7949 11.9930 11.9930 12.1020 12.1020 12.3867 12.3867 12.6933 12.6933 12.7965 12.7965 12.8457 12.8457 12.9893 12.9893 13.0403 13.0403 13.3281 13.3281 13.6244 13.6244 13.7758 13.7758 15.4605 15.4605 16.5417 16.5417 17.3647 17.3647 17.6255 17.6255 k = 0.5000 0.2887 0.1092 ( 2056 PWs) bands (ev): 3.3852 3.3852 4.2139 4.2139 6.9976 6.9976 8.7511 8.7511 9.5985 9.5985 10.3094 10.3094 10.3786 10.3786 10.4318 10.4318 10.5239 10.5239 11.0684 11.0684 11.4448 11.4448 11.6649 11.6649 11.7248 11.7248 11.7937 11.7937 11.9973 11.9973 12.1065 12.1065 12.3928 12.3928 12.6866 12.6866 12.7967 12.7967 12.8480 12.8480 12.9854 12.9854 13.0444 13.0444 13.3183 13.3183 13.6379 13.6379 13.7432 13.7432 15.3831 15.3831 16.4614 16.4614 17.4523 17.4523 17.5983 17.5983 k = 0.5000 0.2887 0.0971 ( 2056 PWs) bands (ev): 3.3673 3.3673 4.2037 4.2037 7.0230 7.0230 8.8482 8.8482 9.6189 9.6189 10.2698 10.2698 10.3776 10.3776 10.3986 10.3986 10.5299 10.5299 11.0755 11.0755 11.4182 11.4182 11.6888 11.6888 11.7162 11.7162 11.7926 11.7926 12.0034 12.0034 12.1092 12.1092 12.3994 12.3994 12.6803 12.6803 12.7964 12.7964 12.8501 12.8501 12.9815 12.9815 13.0492 13.0492 13.3079 13.3079 13.6497 13.6497 13.7145 13.7145 15.3115 15.3115 16.3877 16.3877 17.5326 17.5326 17.5776 17.5776 k = 0.5000 0.2887 0.0849 ( 2054 PWs) bands (ev): 3.3514 3.3514 4.1944 4.1944 7.0459 7.0459 8.9431 8.9431 9.6418 9.6418 10.2253 10.2253 10.3510 10.3510 10.3912 10.3912 10.5353 10.5353 11.0842 11.0842 11.3920 11.3920 11.7042 11.7042 11.7151 11.7151 11.7915 11.7915 12.0109 12.0109 12.1100 12.1100 12.4062 12.4062 12.6747 12.6747 12.7956 12.7956 12.8519 12.8519 12.9779 12.9779 13.0546 13.0546 13.2970 13.2970 13.6586 13.6586 13.6909 13.6909 15.2466 15.2466 16.3212 16.3212 17.5514 17.5514 17.6164 17.6164 k = 0.5000 0.2887 0.0728 ( 2050 PWs) bands (ev): 3.3376 3.3376 4.1861 4.1861 7.0662 7.0662 9.0351 9.0351 9.6664 9.6664 10.1770 10.1770 10.3145 10.3145 10.3937 10.3937 10.5401 10.5401 11.0946 11.0946 11.3666 11.3666 11.6973 11.6973 11.7348 11.7348 11.7909 11.7909 12.0192 12.0192 12.1089 12.1089 12.4130 12.4130 12.6700 12.6700 12.7944 12.7944 12.8533 12.8533 12.9745 12.9745 13.0606 13.0606 13.2858 13.2858 13.6562 13.6562 13.6808 13.6808 15.1891 15.1891 16.2626 16.2626 17.5364 17.5364 17.6854 17.6854 k = 0.5000 0.2887 0.0607 ( 2048 PWs) bands (ev): 3.3259 3.3259 4.1789 4.1789 7.0837 7.0837 9.1229 9.1229 9.6920 9.6920 10.1262 10.1262 10.2784 10.2784 10.3968 10.3968 10.5441 10.5441 11.1063 11.1063 11.3422 11.3422 11.6897 11.6897 11.7520 11.7520 11.7925 11.7925 12.0278 12.0278 12.1059 12.1059 12.4193 12.4193 12.6663 12.6663 12.7930 12.7930 12.8544 12.8544 12.9716 12.9716 13.0669 13.0669 13.2746 13.2746 13.6412 13.6412 13.6851 13.6851 15.1394 15.1394 16.2124 16.2124 17.5233 17.5233 17.7475 17.7475 k = 0.5000 0.2887 0.0485 ( 2048 PWs) bands (ev): 3.3162 3.3162 4.1729 4.1729 7.0982 7.0982 9.2049 9.2049 9.7172 9.7172 10.0747 10.0747 10.2445 10.2445 10.3995 10.3995 10.5474 10.5474 11.1188 11.1188 11.3191 11.3191 11.6831 11.6831 11.7626 11.7626 11.7986 11.7986 12.0362 12.0362 12.1014 12.1014 12.4250 12.4250 12.6635 12.6635 12.7915 12.7915 12.8553 12.8553 12.9690 12.9690 13.0733 13.0733 13.2640 13.2640 13.6265 13.6265 13.6912 13.6912 15.0982 15.0982 16.1708 16.1708 17.5128 17.5128 17.8005 17.8005 k = 0.5000 0.2887 0.0364 ( 2052 PWs) bands (ev): 3.3087 3.3087 4.1681 4.1681 7.1095 7.1095 9.2783 9.2783 9.7404 9.7404 10.0252 10.0252 10.2143 10.2143 10.4018 10.4018 10.5500 10.5500 11.1317 11.1317 11.2980 11.2980 11.6776 11.6776 11.7664 11.7664 11.8089 11.8089 12.0441 12.0441 12.0957 12.0957 12.4297 12.4297 12.6616 12.6616 12.7900 12.7900 12.8558 12.8558 12.9668 12.9668 13.0793 13.0793 13.2544 13.2544 13.6144 13.6144 13.6964 13.6964 15.0657 15.0657 16.1382 16.1382 17.5048 17.5048 17.8432 17.8432 k = 0.5000 0.2887 0.0243 ( 2052 PWs) bands (ev): 3.3033 3.3033 4.1647 4.1647 7.1177 7.1177 9.3388 9.3388 9.7594 9.7594 9.9821 9.9821 10.1899 10.1899 10.4034 10.4034 10.5518 10.5518 11.1438 11.1438 11.2800 11.2800 11.6737 11.6737 11.7672 11.7672 11.8189 11.8189 12.0513 12.0513 12.0896 12.0896 12.4332 12.4332 12.6603 12.6603 12.7887 12.7887 12.8562 12.8562 12.9653 12.9653 13.0844 13.0844 13.2467 13.2467 13.6058 13.6058 13.7003 13.7003 15.0424 15.0424 16.1148 16.1148 17.4991 17.4991 17.8746 17.8746 k = 0.5000 0.2887 0.0121 ( 2054 PWs) bands (ev): 3.3001 3.3001 4.1626 4.1626 7.1226 7.1226 9.3801 9.3801 9.7720 9.7720 9.9516 9.9516 10.1738 10.1738 10.4044 10.4044 10.5528 10.5528 11.1531 11.1531 11.2672 11.2672 11.6713 11.6713 11.7671 11.7671 11.8258 11.8258 12.0571 12.0571 12.0842 12.0842 12.4355 12.4355 12.6596 12.6596 12.7879 12.7879 12.8564 12.8564 12.9643 12.9643 13.0878 13.0878 13.2416 13.2416 13.6006 13.6006 13.7026 13.7026 15.0283 15.0283 16.1007 16.1007 17.4958 17.4958 17.8938 17.8938 k = 0.5000 0.2887-0.0000 ( 2062 PWs) bands (ev): 3.2990 3.2990 4.1619 4.1619 7.1243 7.1243 9.3950 9.3950 9.7763 9.7763 9.9405 9.9405 10.1681 10.1681 10.4048 10.4048 10.5531 10.5531 11.1568 11.1568 11.2621 11.2621 11.6705 11.6705 11.7670 11.7670 11.8282 11.8282 12.0596 12.0596 12.0817 12.0817 12.4362 12.4362 12.6594 12.6594 12.7875 12.7875 12.8564 12.8564 12.9640 12.9640 13.0890 13.0890 13.2397 13.2397 13.5987 13.5987 13.7033 13.7033 15.0235 15.0235 16.0960 16.0960 17.4947 17.4947 17.9003 17.9003 k = 0.3333 0.5774-0.0000 ( 2058 PWs) bands (ev): 4.0060 4.0060 4.0105 4.0105 7.0196 7.0196 8.8936 8.8936 8.9228 8.9228 9.9823 9.9823 10.0001 10.0001 10.3252 10.3252 11.1943 11.1943 11.3135 11.3135 11.4942 11.4942 11.5422 11.5422 11.8832 11.8832 11.9818 11.9818 12.1284 12.1284 12.2545 12.2545 12.3435 12.3435 12.3985 12.3985 12.4935 12.4935 12.7025 12.7025 12.7877 12.7877 13.0316 13.0316 13.1202 13.1202 13.6943 13.6943 14.7318 14.7318 14.8273 14.8273 15.3826 15.3826 15.4301 15.4301 18.8003 18.8003 k = 0.3333 0.5774 0.0121 ( 2061 PWs) bands (ev): 4.0068 4.0068 4.0113 4.0113 7.0210 7.0210 8.8886 8.8886 8.9178 8.9178 9.9848 9.9848 10.0025 10.0025 10.3216 10.3216 11.1943 11.1943 11.3140 11.3140 11.4941 11.4941 11.5421 11.5421 11.8831 11.8831 11.9806 11.9806 12.1266 12.1266 12.2542 12.2542 12.3453 12.3453 12.3995 12.3995 12.4945 12.4945 12.7030 12.7030 12.7882 12.7882 13.0317 13.0317 13.1203 13.1203 13.6936 13.6936 14.7246 14.7246 14.8178 14.8178 15.3970 15.3970 15.4422 15.4422 18.8055 18.8055 k = 0.3333 0.5774 0.0243 ( 2067 PWs) bands (ev): 4.0092 4.0092 4.0137 4.0137 7.0251 7.0251 8.8735 8.8735 8.9027 8.9027 9.9920 9.9920 10.0095 10.0095 10.3103 10.3103 11.1943 11.1943 11.3152 11.3152 11.4942 11.4942 11.5421 11.5421 11.8833 11.8833 11.9771 11.9771 12.1214 12.1214 12.2534 12.2534 12.3504 12.3504 12.4026 12.4026 12.4972 12.4972 12.7048 12.7048 12.7900 12.7900 13.0322 13.0322 13.1207 13.1207 13.6918 13.6918 14.7043 14.7043 14.7918 14.7918 15.4375 15.4375 15.4771 15.4771 18.8211 18.8211 k = 0.3333 0.5774 0.0364 ( 2061 PWs) bands (ev): 4.0133 4.0133 4.0178 4.0178 7.0319 7.0319 8.8492 8.8492 8.8783 8.8783 10.0035 10.0035 10.0208 10.0208 10.2921 10.2921 11.1944 11.1944 11.3173 11.3173 11.4944 11.4944 11.5422 11.5422 11.8838 11.8838 11.9716 11.9716 12.1136 12.1136 12.2521 12.2521 12.3585 12.3585 12.4077 12.4077 12.5017 12.5017 12.7079 12.7079 12.7929 12.7929 13.0333 13.0333 13.1215 13.1215 13.6888 13.6888 14.6741 14.6741 14.7549 14.7549 15.4987 15.4987 15.5314 15.5314 18.8472 18.8472 k = 0.3333 0.5774 0.0485 ( 2061 PWs) bands (ev): 4.0190 4.0190 4.0235 4.0235 7.0414 7.0414 8.8164 8.8164 8.8453 8.8453 10.0187 10.0187 10.0356 10.0356 10.2670 10.2670 11.1945 11.1945 11.3200 11.3200 11.4946 11.4946 11.5423 11.5423 11.8844 11.8844 11.9644 11.9644 12.1037 12.1037 12.2503 12.2503 12.3688 12.3688 12.4143 12.4143 12.5080 12.5080 12.7121 12.7121 12.7970 12.7970 13.0346 13.0346 13.1225 13.1225 13.6846 13.6846 14.6377 14.6377 14.7120 14.7120 15.5754 15.5754 15.6016 15.6016 18.8835 18.8835 k = 0.3333 0.5774 0.0607 ( 2055 PWs) bands (ev): 4.0263 4.0263 4.0308 4.0308 7.0536 7.0536 8.7760 8.7760 8.8048 8.8048 10.0366 10.0366 10.0531 10.0531 10.2353 10.2353 11.1946 11.1946 11.3231 11.3231 11.4948 11.4948 11.5423 11.5423 11.8851 11.8851 11.9557 11.9557 12.0924 12.0924 12.2481 12.2481 12.3809 12.3809 12.4224 12.4224 12.5159 12.5159 12.7174 12.7174 12.8021 12.8021 13.0361 13.0361 13.1236 13.1236 13.6795 13.6795 14.5979 14.5979 14.6665 14.6665 15.6640 15.6640 15.6846 15.6846 18.9299 18.9299 k = 0.3333 0.5774 0.0728 ( 2055 PWs) bands (ev): 4.0352 4.0352 4.0396 4.0396 7.0685 7.0685 8.7291 8.7291 8.7577 8.7577 10.0566 10.0566 10.0726 10.0726 10.1975 10.1975 11.1947 11.1947 11.3265 11.3265 11.4948 11.4948 11.5422 11.5422 11.8860 11.8860 11.9458 11.9458 12.0803 12.0803 12.2455 12.2455 12.3941 12.3941 12.4315 12.4315 12.5253 12.5253 12.7238 12.7238 12.8083 12.8083 13.0378 13.0378 13.1250 13.1250 13.6728 13.6728 14.5567 14.5567 14.6207 14.6207 15.7624 15.7624 15.7782 15.7782 18.9861 18.9861 k = 0.3333 0.5774 0.0849 ( 2055 PWs) bands (ev): 4.0455 4.0455 4.0499 4.0499 7.0860 7.0860 8.6767 8.6767 8.7050 8.7050 10.0780 10.0780 10.0931 10.0931 10.1543 10.1543 11.1949 11.1949 11.3299 11.3299 11.4946 11.4946 11.5420 11.5420 11.8868 11.8868 11.9351 11.9351 12.0679 12.0679 12.2425 12.2425 12.4081 12.4081 12.4413 12.4413 12.5361 12.5361 12.7313 12.7313 12.8154 12.8154 13.0397 13.0397 13.1265 13.1265 13.6649 13.6649 14.5155 14.5155 14.5757 14.5757 15.8690 15.8690 15.8810 15.8810 19.0520 19.0520 k = 0.3333 0.5774 0.0971 ( 2055 PWs) bands (ev): 4.0572 4.0572 4.0616 4.0616 7.1063 7.1063 8.6198 8.6198 8.6479 8.6479 10.1001 10.1001 10.1018 10.1018 10.1183 10.1183 11.1951 11.1951 11.3332 11.3332 11.4942 11.4942 11.5415 11.5415 11.8877 11.8877 11.9239 11.9239 12.0556 12.0556 12.2391 12.2391 12.4228 12.4228 12.4517 12.4517 12.5483 12.5483 12.7396 12.7396 12.8233 12.8233 13.0417 13.0417 13.1281 13.1281 13.6558 13.6558 14.4751 14.4751 14.5322 14.5322 15.9830 15.9830 15.9918 15.9918 19.1273 19.1273 k = 0.3333 0.5774 0.1092 ( 2055 PWs) bands (ev): 4.0704 4.0704 4.0747 4.0747 7.1291 7.1291 8.5592 8.5592 8.5870 8.5870 10.0508 10.0508 10.1224 10.1224 10.1375 10.1375 11.1954 11.1954 11.3363 11.3363 11.4935 11.4935 11.5407 11.5407 11.8886 11.8886 11.9123 11.9123 12.0438 12.0438 12.2354 12.2354 12.4380 12.4380 12.4625 12.4625 12.5617 12.5617 12.7487 12.7487 12.8320 12.8320 13.0438 13.0438 13.1297 13.1297 13.6454 13.6454 14.4362 14.4362 14.4907 14.4907 16.1038 16.1038 16.1099 16.1099 19.2116 19.2116 k = 0.3333 0.5774 0.1213 ( 2061 PWs) bands (ev): 4.0848 4.0848 4.0891 4.0891 7.1546 7.1546 8.4956 8.4956 8.5232 8.5232 9.9931 9.9931 10.1445 10.1445 10.1588 10.1588 11.1957 11.1957 11.3390 11.3390 11.4923 11.4923 11.5396 11.5396 11.8893 11.8893 11.9006 11.9006 12.0325 12.0325 12.2314 12.2314 12.4533 12.4533 12.4736 12.4736 12.5762 12.5762 12.7585 12.7585 12.8413 12.8413 13.0457 13.0457 13.1314 13.1314 13.6338 13.6338 14.3989 14.3989 14.4512 14.4512 16.2309 16.2309 16.2346 16.2346 19.3048 19.3048 k = 0.3333 0.5774 0.1334 ( 2055 PWs) bands (ev): 4.1005 4.1005 4.1047 4.1047 7.1828 7.1828 8.4300 8.4300 8.4573 8.4573 9.9315 9.9315 10.1663 10.1663 10.1800 10.1800 11.1961 11.1961 11.3413 11.3413 11.4908 11.4908 11.5382 11.5382 11.8891 11.8891 11.8898 11.8898 12.0224 12.0224 12.2271 12.2271 12.4691 12.4691 12.4850 12.4850 12.5921 12.5921 12.7687 12.7687 12.8512 12.8512 13.0476 13.0476 13.1330 13.1330 13.6210 13.6210 14.3635 14.3635 14.4141 14.4141 16.3640 16.3640 16.3657 16.3657 19.4063 19.4063 k = 0.3333 0.5774 0.1456 ( 2052 PWs) bands (ev): 4.1172 4.1172 4.1215 4.1215 7.2135 7.2135 8.3628 8.3628 8.3899 8.3899 9.8664 9.8664 10.1873 10.1873 10.2003 10.2003 11.1967 11.1967 11.3431 11.3431 11.4889 11.4889 11.5365 11.5365 11.8779 11.8779 11.8899 11.8899 12.0134 12.0134 12.2226 12.2226 12.4850 12.4850 12.4964 12.4964 12.6092 12.6092 12.7793 12.7793 12.8614 12.8614 13.0493 13.0493 13.1347 13.1347 13.6068 13.6068 14.3302 14.3302 14.3791 14.3791 16.5027 16.5027 16.5028 16.5028 19.5158 19.5158 k = 0.3333 0.5774 0.1577 ( 2049 PWs) bands (ev): 4.1350 4.1350 4.1392 4.1392 7.2468 7.2468 8.2948 8.2948 8.3216 8.3216 9.7982 9.7982 10.2074 10.2074 10.2199 10.2199 11.1973 11.1973 11.3443 11.3443 11.4865 11.4865 11.5345 11.5345 11.8668 11.8668 11.8896 11.8896 12.0056 12.0056 12.2178 12.2178 12.5011 12.5011 12.5080 12.5080 12.6271 12.6271 12.7900 12.7900 12.8719 12.8719 13.0506 13.0506 13.1362 13.1362 13.5917 13.5917 14.2988 14.2988 14.3465 14.3465 16.6451 16.6451 16.6469 16.6469 19.6331 19.6331 k = 0.3333 0.5774 0.1698 ( 2049 PWs) bands (ev): 4.1536 4.1536 4.1578 4.1578 7.2826 7.2826 8.2265 8.2265 8.2530 8.2530 9.7273 9.7273 10.2265 10.2265 10.2385 10.2385 11.1981 11.1981 11.3450 11.3450 11.4838 11.4838 11.5322 11.5322 11.8560 11.8560 11.8886 11.8886 11.9994 11.9994 12.2128 12.2128 12.5172 12.5172 12.5198 12.5198 12.6461 12.6461 12.8006 12.8006 12.8825 12.8825 13.0516 13.0516 13.1376 13.1376 13.5753 13.5753 14.2695 14.2695 14.3160 14.3160 16.7928 16.7928 16.7961 16.7961 19.7576 19.7576 k = 0.3333 0.5774 0.1820 ( 2046 PWs) bands (ev): 4.1730 4.1730 4.1771 4.1771 7.3209 7.3209 8.1583 8.1583 8.1846 8.1846 9.6541 9.6541 10.2445 10.2445 10.2560 10.2560 11.1991 11.1991 11.3451 11.3451 11.4807 11.4807 11.5297 11.5297 11.8456 11.8456 11.8869 11.8869 11.9946 11.9946 12.2077 12.2077 12.5316 12.5316 12.5333 12.5333 12.6661 12.6661 12.8111 12.8111 12.8933 12.8933 13.0522 13.0522 13.1388 13.1388 13.5578 13.5578 14.2422 14.2422 14.2877 14.2877 16.9454 16.9454 16.9502 16.9502 19.8891 19.8891 k = 0.3333 0.5774 0.1941 ( 2058 PWs) bands (ev): 4.1930 4.1930 4.1970 4.1970 7.3617 7.3617 8.0908 8.0908 8.1169 8.1169 9.5789 9.5789 10.2613 10.2613 10.2725 10.2725 11.2001 11.2001 11.3447 11.3447 11.4772 11.4772 11.5270 11.5270 11.8356 11.8356 11.8844 11.8844 11.9914 11.9914 12.2022 12.2022 12.5435 12.5435 12.5493 12.5493 12.6870 12.6870 12.8211 12.8211 12.9038 12.9038 13.0522 13.0522 13.1397 13.1397 13.5391 13.5391 14.2167 14.2167 14.2613 14.2613 17.1026 17.1026 17.1088 17.1088 20.0270 20.0270 k = 0.3333 0.5774 0.2062 ( 2058 PWs) bands (ev): 4.2134 4.2134 4.2173 4.2173 7.4049 7.4049 8.0245 8.0245 8.0504 8.0504 9.5020 9.5020 10.2770 10.2770 10.2879 10.2879 11.2013 11.2013 11.3437 11.3437 11.4735 11.4735 11.5241 11.5241 11.8260 11.8260 11.8814 11.8814 11.9898 11.9898 12.1967 12.1967 12.5556 12.5556 12.5653 12.5653 12.7089 12.7089 12.8305 12.8305 12.9142 12.9142 13.0519 13.0519 13.1407 13.1407 13.5194 13.5194 14.1933 14.1933 14.2371 14.2371 17.2640 17.2640 17.2717 17.2717 20.1709 20.1709 k = 0.3333 0.5774 0.2184 ( 2058 PWs) bands (ev): 4.2340 4.2340 4.2379 4.2379 7.4505 7.4505 7.9598 7.9598 7.9856 7.9856 9.4238 9.4238 10.2916 10.2916 10.3023 10.3023 11.2026 11.2026 11.3423 11.3423 11.4696 11.4696 11.5212 11.5212 11.8168 11.8168 11.8778 11.8778 11.9896 11.9896 12.1910 12.1910 12.5677 12.5677 12.5811 12.5811 12.7318 12.7318 12.8394 12.8394 12.9243 12.9243 13.0511 13.0511 13.1415 13.1415 13.4987 13.4987 14.1717 14.1717 14.2148 14.2148 17.4294 17.4294 17.4386 17.4386 20.3203 20.3203 k = 0.3333 0.5774 0.2305 ( 2064 PWs) bands (ev): 4.2547 4.2547 4.2585 4.2585 7.4985 7.4985 7.8971 7.8971 7.9228 7.9228 9.3445 9.3445 10.3050 10.3050 10.3155 10.3155 11.2041 11.2041 11.3405 11.3405 11.4655 11.4655 11.5182 11.5182 11.8080 11.8080 11.8737 11.8737 11.9905 11.9905 12.1852 12.1852 12.5797 12.5797 12.5966 12.5966 12.7554 12.7554 12.8474 12.8474 12.9340 12.9340 13.0497 13.0497 13.1421 13.1421 13.4770 13.4770 14.1519 14.1519 14.1944 14.1944 17.5985 17.5985 17.6092 17.6092 20.4748 20.4748 k = 0.3333 0.5774 0.2426 ( 2064 PWs) bands (ev): 4.2752 4.2752 4.2790 4.2790 7.5487 7.5487 7.8370 7.8370 7.8626 7.8626 9.2644 9.2644 10.3173 10.3173 10.3276 10.3276 11.2058 11.2058 11.3383 11.3383 11.4615 11.4615 11.5154 11.5154 11.7996 11.7996 11.8694 11.8694 11.9926 11.9926 12.1793 12.1793 12.5918 12.5918 12.6118 12.6118 12.7798 12.7798 12.8545 12.8545 12.9433 12.9433 13.0480 13.0480 13.1429 13.1429 13.4543 13.4543 14.1340 14.1340 14.1759 14.1759 17.7707 17.7707 17.7831 17.7831 20.6337 20.6337 k = 0.3333 0.5774 0.2548 ( 2061 PWs) bands (ev): 4.2954 4.2954 4.2991 4.2991 7.6010 7.6010 7.7798 7.7798 7.8055 7.8055 9.1837 9.1837 10.3287 10.3287 10.3390 10.3390 11.2075 11.2075 11.3359 11.3359 11.4575 11.4575 11.5128 11.5128 11.7917 11.7917 11.8650 11.8650 11.9955 11.9955 12.1734 12.1734 12.6036 12.6036 12.6266 12.6266 12.8048 12.8048 12.8607 12.8607 12.9522 12.9522 13.0458 13.0458 13.1434 13.1434 13.4309 13.4309 14.1177 14.1177 14.1591 14.1591 17.9458 17.9458 17.9600 17.9600 20.7963 20.7963 k = 0.3333 0.5774 0.2669 ( 2064 PWs) bands (ev): 4.3149 4.3149 4.3186 4.3186 7.6550 7.6550 7.7258 7.7258 7.7522 7.7522 9.1027 9.1027 10.3388 10.3388 10.3491 10.3491 11.2093 11.2093 11.3332 11.3332 11.4537 11.4537 11.5103 11.5103 11.7843 11.7843 11.8605 11.8605 11.9990 11.9990 12.1674 12.1674 12.6152 12.6152 12.6409 12.6409 12.8303 12.8303 12.8659 12.8659 12.9606 12.9606 13.0431 13.0431 13.1439 13.1439 13.4067 13.4067 14.1030 14.1030 14.1440 14.1440 18.1232 18.1232 18.1394 18.1394 20.9619 20.9619 k = 0.3333 0.5774 0.2790 ( 2064 PWs) bands (ev): 4.3336 4.3336 4.3372 4.3372 7.6756 7.6756 7.6931 7.6931 7.7208 7.7208 9.0215 9.0215 10.3480 10.3480 10.3582 10.3582 11.2112 11.2112 11.3303 11.3303 11.4500 11.4500 11.5081 11.5081 11.7774 11.7774 11.8563 11.8563 12.0029 12.0029 12.1614 12.1614 12.6264 12.6264 12.6545 12.6545 12.8562 12.8562 12.8701 12.8701 12.9684 12.9684 13.0403 13.0403 13.1444 13.1444 13.3818 13.3818 14.0899 14.0899 14.1306 14.1306 18.3025 18.3025 18.3209 18.3209 21.1293 21.1293 k = 0.3333 0.5774 0.2912 ( 2064 PWs) bands (ev): 4.3512 4.3512 4.3547 4.3547 7.6294 7.6294 7.6528 7.6528 7.7739 7.7739 8.9404 8.9404 10.3561 10.3561 10.3663 10.3663 11.2132 11.2132 11.3275 11.3275 11.4466 11.4466 11.5060 11.5060 11.7711 11.7711 11.8523 11.8523 12.0072 12.0072 12.1555 12.1555 12.6373 12.6373 12.6675 12.6675 12.8734 12.8734 12.8822 12.8822 12.9759 12.9759 13.0372 13.0372 13.1449 13.1449 13.3562 13.3562 14.0784 14.0784 14.1187 14.1187 18.4829 18.4829 18.5039 18.5039 21.2965 21.2965 k = 0.3333 0.5774 0.3033 ( 2070 PWs) bands (ev): 4.3675 4.3675 4.3709 4.3709 7.5876 7.5876 7.6115 7.6115 7.8345 7.8345 8.8595 8.8595 10.3631 10.3631 10.3734 10.3734 11.2151 11.2151 11.3246 11.3246 11.4434 11.4434 11.5042 11.5042 11.7653 11.7653 11.8485 11.8485 12.0116 12.0116 12.1497 12.1497 12.6474 12.6474 12.6795 12.6795 12.8758 12.8758 12.9079 12.9079 12.9831 12.9831 13.0342 13.0342 13.1452 13.1452 13.3300 13.3300 14.0683 14.0683 14.1084 14.1084 18.6635 18.6635 18.6876 18.6876 21.4518 21.4518 k = 0.3333 0.5774 0.3154 ( 2070 PWs) bands (ev): 4.3822 4.3822 4.3855 4.3855 7.5507 7.5507 7.5747 7.5747 7.8974 7.8974 8.7791 8.7791 10.3691 10.3691 10.3795 10.3795 11.2170 11.2170 11.3218 11.3218 11.4406 11.4406 11.5027 11.5027 11.7601 11.7601 11.8451 11.8451 12.0161 12.0161 12.1442 12.1442 12.6568 12.6568 12.6905 12.6905 12.8774 12.8774 12.9324 12.9324 12.9905 12.9905 13.0317 13.0317 13.1456 13.1456 13.3035 13.3035 14.0596 14.0596 14.0995 14.0995 18.8431 18.8431 18.8710 18.8710 21.3695 21.3696 k = 0.3333 0.5774 0.3275 ( 2058 PWs) bands (ev): 4.3951 4.3951 4.3983 4.3983 7.5188 7.5188 7.5429 7.5429 7.9623 7.9623 8.6993 8.6993 10.3743 10.3743 10.3848 10.3848 11.2188 11.2188 11.3193 11.3193 11.4383 11.4383 11.5016 11.5016 11.7559 11.7559 11.8424 11.8424 12.0206 12.0206 12.1392 12.1392 12.6653 12.6653 12.7003 12.7003 12.8784 12.8784 12.9543 12.9543 12.9985 12.9985 13.0309 13.0309 13.1461 13.1461 13.2768 13.2768 14.0525 14.0525 14.0922 14.0922 19.0200 19.0200 19.0526 19.0526 21.1977 21.1978 k = 0.3333 0.5774 0.3397 ( 2064 PWs) bands (ev): 4.4059 4.4059 4.4092 4.4092 7.4923 7.4923 7.5165 7.5165 8.0290 8.0290 8.6203 8.6203 10.3784 10.3784 10.3889 10.3889 11.2204 11.2204 11.3169 11.3169 11.4362 11.4362 11.5005 11.5005 11.7521 11.7521 11.8398 11.8398 12.0246 12.0246 12.1346 12.1346 12.6725 12.6725 12.7085 12.7085 12.8788 12.8788 12.9706 12.9706 13.0067 13.0067 13.0347 13.0347 13.1464 13.1464 13.2499 13.2499 14.0467 14.0467 14.0862 14.0862 19.1911 19.1911 19.2297 19.2297 21.0260 21.0260 k = 0.3333 0.5774 0.3518 ( 2070 PWs) bands (ev): 4.4146 4.4146 4.4178 4.4178 7.4714 7.4714 7.4956 7.4956 8.0975 8.0975 8.5422 8.5422 10.3815 10.3815 10.3921 10.3921 11.2216 11.2216 11.3150 11.3150 11.4346 11.4346 11.4997 11.4997 11.7491 11.7491 11.8378 11.8378 12.0280 12.0280 12.1306 12.1306 12.6783 12.6783 12.7152 12.7152 12.8789 12.8789 12.9804 12.9804 13.0110 13.0110 13.0476 13.0476 13.1467 13.1467 13.2234 13.2234 14.0421 14.0421 14.0815 14.0815 19.3514 19.3514 19.3978 19.3978 20.8613 20.8613 k = 0.3333 0.5774 0.3639 ( 2070 PWs) bands (ev): 4.4209 4.4209 4.4240 4.4240 7.4564 7.4564 7.4805 7.4805 8.1675 8.1675 8.4653 8.4653 10.3838 10.3838 10.3945 10.3945 11.2226 11.2226 11.3136 11.3136 11.4335 11.4335 11.4992 11.4992 11.7470 11.7470 11.8364 11.8364 12.0307 12.0307 12.1276 12.1276 12.6827 12.6827 12.7201 12.7201 12.8788 12.8788 12.9858 12.9858 13.0118 13.0118 13.0671 13.0671 13.1470 13.1470 13.1983 13.1983 14.0389 14.0389 14.0782 14.0782 19.4910 19.4910 19.5475 19.5475 20.7138 20.7138 k = 0.3333 0.5774 0.3761 ( 2082 PWs) bands (ev): 4.4247 4.4247 4.4278 4.4278 7.4472 7.4472 7.4714 7.4714 8.2385 8.2385 8.3901 8.3901 10.3851 10.3851 10.3958 10.3958 11.2231 11.2231 11.3126 11.3126 11.4327 11.4327 11.4988 11.4988 11.7456 11.7456 11.8354 11.8354 12.0324 12.0324 12.1256 12.1256 12.6854 12.6854 12.7231 12.7231 12.8785 12.8785 12.9884 12.9884 13.0115 13.0115 13.0861 13.0861 13.1471 13.1471 13.1769 13.1769 14.0368 14.0368 14.0761 14.0761 19.5926 19.5926 19.6601 19.6601 20.6024 20.6024 k = 0.3333 0.5774 0.3882 ( 2082 PWs) bands (ev): 4.4260 4.4260 4.4291 4.4291 7.4442 7.4442 7.4683 7.4683 8.2974 8.2974 8.3298 8.3298 10.3856 10.3856 10.3963 10.3963 11.2234 11.2234 11.3123 11.3123 11.4325 11.4325 11.4987 11.4987 11.7451 11.7451 11.8352 11.8352 12.0330 12.0330 12.1249 12.1249 12.6863 12.6863 12.7242 12.7242 12.8785 12.8785 12.9892 12.9892 13.0114 13.0114 13.0953 13.0953 13.1471 13.1471 13.1672 13.1672 14.0362 14.0362 14.0755 14.0755 19.6312 19.6312 19.7042 19.7042 20.5587 20.5587 Writing output data file Ni2Ge.save init_run : 0.14s CPU 0.26s WALL ( 1 calls) electrons : 143.54s CPU 146.70s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.01s CPU 0.04s WALL ( 1 calls) Called by electrons: c_bands : 143.53s CPU 146.69s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.04s CPU 0.05s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.04s CPU 0.04s WALL ( 361 calls) cegterg : 130.69s CPU 133.02s WALL ( 445 calls) Called by sum_band: Called by *egterg: h_psi : 58.07s CPU 59.66s WALL ( 7220 calls) s_psi : 5.72s CPU 5.74s WALL ( 7220 calls) g_psi : 0.15s CPU 0.14s WALL ( 6414 calls) cdiaghg : 65.14s CPU 65.82s WALL ( 6775 calls) cegterg:over : 4.80s CPU 4.82s WALL ( 6414 calls) cegterg:upda : 2.95s CPU 3.14s WALL ( 6414 calls) cegterg:last : 1.93s CPU 1.98s WALL ( 1207 calls) cdiaghg:chol : 3.67s CPU 3.59s WALL ( 6775 calls) cdiaghg:inve : 2.62s CPU 2.64s WALL ( 6775 calls) cdiaghg:para : 4.14s CPU 4.34s WALL ( 13550 calls) Called by h_psi: h_psi:vloc : 45.55s CPU 46.89s WALL ( 7220 calls) h_psi:vnl : 12.38s CPU 12.63s WALL ( 7220 calls) add_vuspsi : 7.08s CPU 7.07s WALL ( 7220 calls) General routines calbec : 5.27s CPU 5.53s WALL ( 7220 calls) fft : 0.00s CPU 0.00s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 42.32s CPU 43.49s WALL ( 964160 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.10s CPU 0.43s WALL ( 722 calls) Parallel routines fft_scatter : 21.23s CPU 21.67s WALL ( 964183 calls) PWSCF : 2m37.68s CPU 2m50.57s WALL This run was terminated on: 18:38:40 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=