Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 20:55:47 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: ./NiSb.save/ file Sb.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S renormalized 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 25 18 5 819 470 77 Max 26 19 6 828 483 84 Sum 925 649 199 29641 17153 2873 bravais-lattice index = 14 lattice parameter (alat) = 7.4455 a.u. unit-cell volume = 466.3186 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 2 number of electrons = 30.00 number of Kohn-Sham states= 38 kinetic-energy cutoff = 42.0000 Ry charge density cutoff = 242.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.445520 celldm(2)= 1.000000 celldm(3)= 1.304569 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 1.304569 ) 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 0.766537 ) PseudoPot. # 1 for Sb read from file: /users/gautes/Pseudo/Sb.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 6eab79124e5b154cf38452ae12125a85 Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1243 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 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 Sb 5.00 121.76000 Sb( 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 ) ( -0.6522843 ) 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 ) ( 0.6522843 ) 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 ) ( -0.6522843 ) 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 ) ( -0.6522843 ) 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 ) ( 0.6522843 ) 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 ) ( 0.6522843 ) 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 ) ( 0.6522843 ) 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 ) ( -0.6522843 ) 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 ) ( 0.6522843 ) 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 ) ( 0.6522843 ) 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 ) ( -0.6522843 ) 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 ) ( -0.6522843 ) 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= 358 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027933 k( 2) = ( 0.0106383 0.0061420 -0.0000000), wk = 0.0027933 k( 3) = ( 0.0212766 0.0122841 -0.0000000), wk = 0.0027933 k( 4) = ( 0.0319149 0.0184261 -0.0000000), wk = 0.0027933 k( 5) = ( 0.0425532 0.0245681 -0.0000000), wk = 0.0027933 k( 6) = ( 0.0531915 0.0307101 -0.0000000), wk = 0.0027933 k( 7) = ( 0.0638298 0.0368521 -0.0000000), wk = 0.0027933 k( 8) = ( 0.0744681 0.0429942 -0.0000000), wk = 0.0027933 k( 9) = ( 0.0851064 0.0491362 -0.0000000), wk = 0.0027933 k( 10) = ( 0.0957447 0.0552782 -0.0000000), wk = 0.0027933 k( 11) = ( 0.1063830 0.0614202 -0.0000000), wk = 0.0027933 k( 12) = ( 0.1170213 0.0675623 -0.0000000), wk = 0.0027933 k( 13) = ( 0.1276596 0.0737043 -0.0000000), wk = 0.0027933 k( 14) = ( 0.1382979 0.0798463 -0.0000000), wk = 0.0027933 k( 15) = ( 0.1489362 0.0859883 -0.0000000), wk = 0.0027933 k( 16) = ( 0.1595745 0.0921304 -0.0000000), wk = 0.0027933 k( 17) = ( 0.1702128 0.0982724 -0.0000000), wk = 0.0027933 k( 18) = ( 0.1808511 0.1044144 -0.0000000), wk = 0.0027933 k( 19) = ( 0.1914894 0.1105564 -0.0000000), wk = 0.0027933 k( 20) = ( 0.2021277 0.1166985 -0.0000000), wk = 0.0027933 k( 21) = ( 0.2127660 0.1228405 -0.0000000), wk = 0.0027933 k( 22) = ( 0.2234043 0.1289825 -0.0000000), wk = 0.0027933 k( 23) = ( 0.2340425 0.1351245 -0.0000000), wk = 0.0027933 k( 24) = ( 0.2446809 0.1412666 -0.0000000), wk = 0.0027933 k( 25) = ( 0.2553191 0.1474086 -0.0000000), wk = 0.0027933 k( 26) = ( 0.2659574 0.1535506 -0.0000000), wk = 0.0027933 k( 27) = ( 0.2765957 0.1596926 -0.0000000), wk = 0.0027933 k( 28) = ( 0.2872340 0.1658347 -0.0000000), wk = 0.0027933 k( 29) = ( 0.2978723 0.1719767 -0.0000000), wk = 0.0027933 k( 30) = ( 0.3085106 0.1781187 -0.0000000), wk = 0.0027933 k( 31) = ( 0.3191489 0.1842607 -0.0000000), wk = 0.0027933 k( 32) = ( 0.3297872 0.1904027 -0.0000000), wk = 0.0027933 k( 33) = ( 0.3404255 0.1965448 -0.0000000), wk = 0.0027933 k( 34) = ( 0.3510638 0.2026868 -0.0000000), wk = 0.0027933 k( 35) = ( 0.3617021 0.2088288 -0.0000000), wk = 0.0027933 k( 36) = ( 0.3723404 0.2149708 -0.0000000), wk = 0.0027933 k( 37) = ( 0.3829787 0.2211129 -0.0000000), wk = 0.0027933 k( 38) = ( 0.3936170 0.2272549 -0.0000000), wk = 0.0027933 k( 39) = ( 0.4042553 0.2333969 -0.0000000), wk = 0.0027933 k( 40) = ( 0.4148936 0.2395389 -0.0000000), wk = 0.0027933 k( 41) = ( 0.4255319 0.2456810 -0.0000000), wk = 0.0027933 k( 42) = ( 0.4361702 0.2518230 -0.0000000), wk = 0.0027933 k( 43) = ( 0.4468085 0.2579650 -0.0000000), wk = 0.0027933 k( 44) = ( 0.4574468 0.2641070 -0.0000000), wk = 0.0027933 k( 45) = ( 0.4680851 0.2702491 -0.0000000), wk = 0.0027933 k( 46) = ( 0.4787234 0.2763911 -0.0000000), wk = 0.0027933 k( 47) = ( 0.4893617 0.2825331 -0.0000000), wk = 0.0027933 k( 48) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0027933 k( 49) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0027933 k( 50) = ( 0.4938272 0.2993668 -0.0000000), wk = 0.0027933 k( 51) = ( 0.4876543 0.3100585 -0.0000000), wk = 0.0027933 k( 52) = ( 0.4814815 0.3207502 -0.0000000), wk = 0.0027933 k( 53) = ( 0.4753086 0.3314418 -0.0000000), wk = 0.0027933 k( 54) = ( 0.4691358 0.3421335 -0.0000000), wk = 0.0027933 k( 55) = ( 0.4629630 0.3528252 -0.0000000), wk = 0.0027933 k( 56) = ( 0.4567901 0.3635168 -0.0000000), wk = 0.0027933 k( 57) = ( 0.4506173 0.3742085 -0.0000000), wk = 0.0027933 k( 58) = ( 0.4444444 0.3849002 -0.0000000), wk = 0.0027933 k( 59) = ( 0.4382716 0.3955918 -0.0000000), wk = 0.0027933 k( 60) = ( 0.4320988 0.4062835 -0.0000000), wk = 0.0027933 k( 61) = ( 0.4259259 0.4169752 -0.0000000), wk = 0.0027933 k( 62) = ( 0.4197531 0.4276669 -0.0000000), wk = 0.0027933 k( 63) = ( 0.4135802 0.4383585 -0.0000000), wk = 0.0027933 k( 64) = ( 0.4074074 0.4490502 -0.0000000), wk = 0.0027933 k( 65) = ( 0.4012346 0.4597419 -0.0000000), wk = 0.0027933 k( 66) = ( 0.3950617 0.4704335 -0.0000000), wk = 0.0027933 k( 67) = ( 0.3888889 0.4811252 -0.0000000), wk = 0.0027933 k( 68) = ( 0.3827160 0.4918169 -0.0000000), wk = 0.0027933 k( 69) = ( 0.3765432 0.5025086 -0.0000000), wk = 0.0027933 k( 70) = ( 0.3703704 0.5132002 -0.0000000), wk = 0.0027933 k( 71) = ( 0.3641975 0.5238919 -0.0000000), wk = 0.0027933 k( 72) = ( 0.3580247 0.5345836 -0.0000000), wk = 0.0027933 k( 73) = ( 0.3518519 0.5452753 -0.0000000), wk = 0.0027933 k( 74) = ( 0.3456790 0.5559669 -0.0000000), wk = 0.0027933 k( 75) = ( 0.3395062 0.5666586 -0.0000000), wk = 0.0027933 k( 76) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0027933 k( 77) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0027933 k( 78) = ( 0.3271605 0.5666586 -0.0000000), wk = 0.0027933 k( 79) = ( 0.3209877 0.5559669 -0.0000000), wk = 0.0027933 k( 80) = ( 0.3148148 0.5452752 -0.0000000), wk = 0.0027933 k( 81) = ( 0.3086420 0.5345836 -0.0000000), wk = 0.0027933 k( 82) = ( 0.3024691 0.5238919 -0.0000000), wk = 0.0027933 k( 83) = ( 0.2962963 0.5132002 -0.0000000), wk = 0.0027933 k( 84) = ( 0.2901235 0.5025086 -0.0000000), wk = 0.0027933 k( 85) = ( 0.2839506 0.4918169 -0.0000000), wk = 0.0027933 k( 86) = ( 0.2777778 0.4811252 -0.0000000), wk = 0.0027933 k( 87) = ( 0.2716049 0.4704336 -0.0000000), wk = 0.0027933 k( 88) = ( 0.2654321 0.4597419 -0.0000000), wk = 0.0027933 k( 89) = ( 0.2592593 0.4490502 -0.0000000), wk = 0.0027933 k( 90) = ( 0.2530864 0.4383585 -0.0000000), wk = 0.0027933 k( 91) = ( 0.2469136 0.4276669 -0.0000000), wk = 0.0027933 k( 92) = ( 0.2407407 0.4169752 -0.0000000), wk = 0.0027933 k( 93) = ( 0.2345679 0.4062835 -0.0000000), wk = 0.0027933 k( 94) = ( 0.2283951 0.3955918 -0.0000000), wk = 0.0027933 k( 95) = ( 0.2222222 0.3849002 -0.0000000), wk = 0.0027933 k( 96) = ( 0.2160494 0.3742085 -0.0000000), wk = 0.0027933 k( 97) = ( 0.2098765 0.3635168 -0.0000000), wk = 0.0027933 k( 98) = ( 0.2037037 0.3528252 -0.0000000), wk = 0.0027933 k( 99) = ( 0.1975309 0.3421335 -0.0000000), wk = 0.0027933 k( 100) = ( 0.1913580 0.3314418 -0.0000000), wk = 0.0027933 k( 101) = ( 0.1851852 0.3207502 -0.0000000), wk = 0.0027933 k( 102) = ( 0.1790123 0.3100585 -0.0000000), wk = 0.0027933 k( 103) = ( 0.1728395 0.2993668 -0.0000000), wk = 0.0027933 k( 104) = ( 0.1666667 0.2886751 -0.0000000), wk = 0.0027933 k( 105) = ( 0.1604938 0.2779835 -0.0000000), wk = 0.0027933 k( 106) = ( 0.1543210 0.2672918 -0.0000000), wk = 0.0027933 k( 107) = ( 0.1481482 0.2566001 -0.0000000), wk = 0.0027933 k( 108) = ( 0.1419753 0.2459085 -0.0000000), wk = 0.0027933 k( 109) = ( 0.1358025 0.2352168 -0.0000000), wk = 0.0027933 k( 110) = ( 0.1296296 0.2245251 -0.0000000), wk = 0.0027933 k( 111) = ( 0.1234568 0.2138334 -0.0000000), wk = 0.0027933 k( 112) = ( 0.1172839 0.2031418 -0.0000000), wk = 0.0027933 k( 113) = ( 0.1111111 0.1924501 -0.0000000), wk = 0.0027933 k( 114) = ( 0.1049383 0.1817584 -0.0000000), wk = 0.0027933 k( 115) = ( 0.0987654 0.1710667 -0.0000000), wk = 0.0027933 k( 116) = ( 0.0925926 0.1603751 -0.0000000), wk = 0.0027933 k( 117) = ( 0.0864198 0.1496834 -0.0000000), wk = 0.0027933 k( 118) = ( 0.0802469 0.1389917 -0.0000000), wk = 0.0027933 k( 119) = ( 0.0740741 0.1283001 -0.0000000), wk = 0.0027933 k( 120) = ( 0.0679012 0.1176084 -0.0000000), wk = 0.0027933 k( 121) = ( 0.0617284 0.1069167 -0.0000000), wk = 0.0027933 k( 122) = ( 0.0555556 0.0962251 -0.0000000), wk = 0.0027933 k( 123) = ( 0.0493827 0.0855334 -0.0000000), wk = 0.0027933 k( 124) = ( 0.0432099 0.0748417 -0.0000000), wk = 0.0027933 k( 125) = ( 0.0370370 0.0641500 -0.0000000), wk = 0.0027933 k( 126) = ( 0.0308642 0.0534584 -0.0000000), wk = 0.0027933 k( 127) = ( 0.0246914 0.0427667 -0.0000000), wk = 0.0027933 k( 128) = ( 0.0185185 0.0320750 -0.0000000), wk = 0.0027933 k( 129) = ( 0.0123457 0.0213833 -0.0000000), wk = 0.0027933 k( 130) = ( 0.0061728 0.0106917 -0.0000000), wk = 0.0027933 k( 131) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027933 k( 132) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027933 k( 133) = ( 0.0000000 0.0000000 0.0123635), wk = 0.0027933 k( 134) = ( 0.0000000 0.0000000 0.0247270), wk = 0.0027933 k( 135) = ( 0.0000000 0.0000000 0.0370905), wk = 0.0027933 k( 136) = ( 0.0000000 0.0000000 0.0494540), wk = 0.0027933 k( 137) = ( 0.0000000 0.0000000 0.0618175), wk = 0.0027933 k( 138) = ( 0.0000000 0.0000000 0.0741810), wk = 0.0027933 k( 139) = ( 0.0000000 0.0000000 0.0865445), wk = 0.0027933 k( 140) = ( 0.0000000 0.0000000 0.0989080), wk = 0.0027933 k( 141) = ( 0.0000000 0.0000000 0.1112715), wk = 0.0027933 k( 142) = ( 0.0000000 0.0000000 0.1236350), wk = 0.0027933 k( 143) = ( 0.0000000 0.0000000 0.1359985), wk = 0.0027933 k( 144) = ( 0.0000000 0.0000000 0.1483620), wk = 0.0027933 k( 145) = ( 0.0000000 0.0000000 0.1607255), wk = 0.0027933 k( 146) = ( 0.0000000 0.0000000 0.1730890), wk = 0.0027933 k( 147) = ( 0.0000000 0.0000000 0.1854525), wk = 0.0027933 k( 148) = ( 0.0000000 0.0000000 0.1978160), wk = 0.0027933 k( 149) = ( 0.0000000 0.0000000 0.2101795), wk = 0.0027933 k( 150) = ( 0.0000000 0.0000000 0.2225430), wk = 0.0027933 k( 151) = ( 0.0000000 0.0000000 0.2349065), wk = 0.0027933 k( 152) = ( 0.0000000 0.0000000 0.2472700), wk = 0.0027933 k( 153) = ( 0.0000000 0.0000000 0.2596335), wk = 0.0027933 k( 154) = ( 0.0000000 0.0000000 0.2719970), wk = 0.0027933 k( 155) = ( 0.0000000 0.0000000 0.2843605), wk = 0.0027933 k( 156) = ( 0.0000000 0.0000000 0.2967240), wk = 0.0027933 k( 157) = ( 0.0000000 0.0000000 0.3090875), wk = 0.0027933 k( 158) = ( 0.0000000 0.0000000 0.3214510), wk = 0.0027933 k( 159) = ( 0.0000000 0.0000000 0.3338145), wk = 0.0027933 k( 160) = ( 0.0000000 0.0000000 0.3461780), wk = 0.0027933 k( 161) = ( 0.0000000 0.0000000 0.3585415), wk = 0.0027933 k( 162) = ( 0.0000000 0.0000000 0.3709050), wk = 0.0027933 k( 163) = ( 0.0000000 0.0000000 0.3832685), wk = 0.0027933 k( 164) = ( 0.0000000 0.0000000 0.3832685), wk = 0.0027933 k( 165) = ( 0.0106383 0.0061420 0.3832685), wk = 0.0027933 k( 166) = ( 0.0212766 0.0122841 0.3832685), wk = 0.0027933 k( 167) = ( 0.0319149 0.0184261 0.3832685), wk = 0.0027933 k( 168) = ( 0.0425532 0.0245681 0.3832685), wk = 0.0027933 k( 169) = ( 0.0531915 0.0307101 0.3832685), wk = 0.0027933 k( 170) = ( 0.0638298 0.0368521 0.3832685), wk = 0.0027933 k( 171) = ( 0.0744681 0.0429942 0.3832685), wk = 0.0027933 k( 172) = ( 0.0851064 0.0491362 0.3832685), wk = 0.0027933 k( 173) = ( 0.0957447 0.0552782 0.3832685), wk = 0.0027933 k( 174) = ( 0.1063830 0.0614202 0.3832685), wk = 0.0027933 k( 175) = ( 0.1170213 0.0675623 0.3832685), wk = 0.0027933 k( 176) = ( 0.1276596 0.0737043 0.3832685), wk = 0.0027933 k( 177) = ( 0.1382979 0.0798463 0.3832685), wk = 0.0027933 k( 178) = ( 0.1489362 0.0859883 0.3832685), wk = 0.0027933 k( 179) = ( 0.1595745 0.0921304 0.3832685), wk = 0.0027933 k( 180) = ( 0.1702128 0.0982724 0.3832685), wk = 0.0027933 k( 181) = ( 0.1808511 0.1044144 0.3832685), wk = 0.0027933 k( 182) = ( 0.1914894 0.1105564 0.3832685), wk = 0.0027933 k( 183) = ( 0.2021277 0.1166985 0.3832685), wk = 0.0027933 k( 184) = ( 0.2127660 0.1228405 0.3832685), wk = 0.0027933 k( 185) = ( 0.2234043 0.1289825 0.3832685), wk = 0.0027933 k( 186) = ( 0.2340425 0.1351245 0.3832685), wk = 0.0027933 k( 187) = ( 0.2446809 0.1412666 0.3832685), wk = 0.0027933 k( 188) = ( 0.2553191 0.1474086 0.3832685), wk = 0.0027933 k( 189) = ( 0.2659574 0.1535506 0.3832685), wk = 0.0027933 k( 190) = ( 0.2765957 0.1596926 0.3832685), wk = 0.0027933 k( 191) = ( 0.2872340 0.1658347 0.3832685), wk = 0.0027933 k( 192) = ( 0.2978723 0.1719767 0.3832685), wk = 0.0027933 k( 193) = ( 0.3085106 0.1781187 0.3832685), wk = 0.0027933 k( 194) = ( 0.3191489 0.1842607 0.3832685), wk = 0.0027933 k( 195) = ( 0.3297872 0.1904027 0.3832685), wk = 0.0027933 k( 196) = ( 0.3404255 0.1965448 0.3832685), wk = 0.0027933 k( 197) = ( 0.3510638 0.2026868 0.3832685), wk = 0.0027933 k( 198) = ( 0.3617021 0.2088288 0.3832685), wk = 0.0027933 k( 199) = ( 0.3723404 0.2149708 0.3832685), wk = 0.0027933 k( 200) = ( 0.3829787 0.2211129 0.3832685), wk = 0.0027933 k( 201) = ( 0.3936170 0.2272549 0.3832685), wk = 0.0027933 k( 202) = ( 0.4042553 0.2333969 0.3832685), wk = 0.0027933 k( 203) = ( 0.4148936 0.2395389 0.3832685), wk = 0.0027933 k( 204) = ( 0.4255319 0.2456810 0.3832685), wk = 0.0027933 k( 205) = ( 0.4361702 0.2518230 0.3832685), wk = 0.0027933 k( 206) = ( 0.4468085 0.2579650 0.3832685), wk = 0.0027933 k( 207) = ( 0.4574468 0.2641070 0.3832685), wk = 0.0027933 k( 208) = ( 0.4680851 0.2702491 0.3832685), wk = 0.0027933 k( 209) = ( 0.4787234 0.2763911 0.3832685), wk = 0.0027933 k( 210) = ( 0.4893617 0.2825331 0.3832685), wk = 0.0027933 k( 211) = ( 0.5000000 0.2886751 0.3832685), wk = 0.0027933 k( 212) = ( 0.5000000 0.2886751 0.3832685), wk = 0.0027933 k( 213) = ( 0.4938272 0.2993668 0.3832685), wk = 0.0027933 k( 214) = ( 0.4876543 0.3100585 0.3832685), wk = 0.0027933 k( 215) = ( 0.4814815 0.3207502 0.3832685), wk = 0.0027933 k( 216) = ( 0.4753086 0.3314418 0.3832685), wk = 0.0027933 k( 217) = ( 0.4691358 0.3421335 0.3832685), wk = 0.0027933 k( 218) = ( 0.4629630 0.3528252 0.3832685), wk = 0.0027933 k( 219) = ( 0.4567901 0.3635168 0.3832685), wk = 0.0027933 k( 220) = ( 0.4506173 0.3742085 0.3832685), wk = 0.0027933 k( 221) = ( 0.4444444 0.3849002 0.3832685), wk = 0.0027933 k( 222) = ( 0.4382716 0.3955918 0.3832685), wk = 0.0027933 k( 223) = ( 0.4320988 0.4062835 0.3832685), wk = 0.0027933 k( 224) = ( 0.4259259 0.4169752 0.3832685), wk = 0.0027933 k( 225) = ( 0.4197531 0.4276669 0.3832685), wk = 0.0027933 k( 226) = ( 0.4135802 0.4383585 0.3832685), wk = 0.0027933 k( 227) = ( 0.4074074 0.4490502 0.3832685), wk = 0.0027933 k( 228) = ( 0.4012346 0.4597419 0.3832685), wk = 0.0027933 k( 229) = ( 0.3950617 0.4704335 0.3832685), wk = 0.0027933 k( 230) = ( 0.3888889 0.4811252 0.3832685), wk = 0.0027933 k( 231) = ( 0.3827160 0.4918169 0.3832685), wk = 0.0027933 k( 232) = ( 0.3765432 0.5025086 0.3832685), wk = 0.0027933 k( 233) = ( 0.3703704 0.5132002 0.3832685), wk = 0.0027933 k( 234) = ( 0.3641975 0.5238919 0.3832685), wk = 0.0027933 k( 235) = ( 0.3580247 0.5345836 0.3832685), wk = 0.0027933 k( 236) = ( 0.3518519 0.5452753 0.3832685), wk = 0.0027933 k( 237) = ( 0.3456790 0.5559669 0.3832685), wk = 0.0027933 k( 238) = ( 0.3395062 0.5666586 0.3832685), wk = 0.0027933 k( 239) = ( 0.3333333 0.5773503 0.3832685), wk = 0.0027933 k( 240) = ( 0.3333333 0.5773503 0.3832685), wk = 0.0027933 k( 241) = ( 0.3271605 0.5666586 0.3832685), wk = 0.0027933 k( 242) = ( 0.3209877 0.5559669 0.3832685), wk = 0.0027933 k( 243) = ( 0.3148148 0.5452752 0.3832685), wk = 0.0027933 k( 244) = ( 0.3086420 0.5345836 0.3832685), wk = 0.0027933 k( 245) = ( 0.3024691 0.5238919 0.3832685), wk = 0.0027933 k( 246) = ( 0.2962963 0.5132002 0.3832685), wk = 0.0027933 k( 247) = ( 0.2901235 0.5025086 0.3832685), wk = 0.0027933 k( 248) = ( 0.2839506 0.4918169 0.3832685), wk = 0.0027933 k( 249) = ( 0.2777778 0.4811252 0.3832685), wk = 0.0027933 k( 250) = ( 0.2716049 0.4704336 0.3832685), wk = 0.0027933 k( 251) = ( 0.2654321 0.4597419 0.3832685), wk = 0.0027933 k( 252) = ( 0.2592593 0.4490502 0.3832685), wk = 0.0027933 k( 253) = ( 0.2530864 0.4383585 0.3832685), wk = 0.0027933 k( 254) = ( 0.2469136 0.4276669 0.3832685), wk = 0.0027933 k( 255) = ( 0.2407407 0.4169752 0.3832685), wk = 0.0027933 k( 256) = ( 0.2345679 0.4062835 0.3832685), wk = 0.0027933 k( 257) = ( 0.2283951 0.3955918 0.3832685), wk = 0.0027933 k( 258) = ( 0.2222222 0.3849002 0.3832685), wk = 0.0027933 k( 259) = ( 0.2160494 0.3742085 0.3832685), wk = 0.0027933 k( 260) = ( 0.2098765 0.3635168 0.3832685), wk = 0.0027933 k( 261) = ( 0.2037037 0.3528252 0.3832685), wk = 0.0027933 k( 262) = ( 0.1975309 0.3421335 0.3832685), wk = 0.0027933 k( 263) = ( 0.1913580 0.3314418 0.3832685), wk = 0.0027933 k( 264) = ( 0.1851852 0.3207502 0.3832685), wk = 0.0027933 k( 265) = ( 0.1790123 0.3100585 0.3832685), wk = 0.0027933 k( 266) = ( 0.1728395 0.2993668 0.3832685), wk = 0.0027933 k( 267) = ( 0.1666667 0.2886751 0.3832685), wk = 0.0027933 k( 268) = ( 0.1604938 0.2779835 0.3832685), wk = 0.0027933 k( 269) = ( 0.1543210 0.2672918 0.3832685), wk = 0.0027933 k( 270) = ( 0.1481482 0.2566001 0.3832685), wk = 0.0027933 k( 271) = ( 0.1419753 0.2459085 0.3832685), wk = 0.0027933 k( 272) = ( 0.1358025 0.2352168 0.3832685), wk = 0.0027933 k( 273) = ( 0.1296296 0.2245251 0.3832685), wk = 0.0027933 k( 274) = ( 0.1234568 0.2138334 0.3832685), wk = 0.0027933 k( 275) = ( 0.1172839 0.2031418 0.3832685), wk = 0.0027933 k( 276) = ( 0.1111111 0.1924501 0.3832685), wk = 0.0027933 k( 277) = ( 0.1049383 0.1817584 0.3832685), wk = 0.0027933 k( 278) = ( 0.0987654 0.1710667 0.3832685), wk = 0.0027933 k( 279) = ( 0.0925926 0.1603751 0.3832685), wk = 0.0027933 k( 280) = ( 0.0864198 0.1496834 0.3832685), wk = 0.0027933 k( 281) = ( 0.0802469 0.1389917 0.3832685), wk = 0.0027933 k( 282) = ( 0.0740741 0.1283001 0.3832685), wk = 0.0027933 k( 283) = ( 0.0679012 0.1176084 0.3832685), wk = 0.0027933 k( 284) = ( 0.0617284 0.1069167 0.3832685), wk = 0.0027933 k( 285) = ( 0.0555556 0.0962251 0.3832685), wk = 0.0027933 k( 286) = ( 0.0493827 0.0855334 0.3832685), wk = 0.0027933 k( 287) = ( 0.0432099 0.0748417 0.3832685), wk = 0.0027933 k( 288) = ( 0.0370370 0.0641500 0.3832685), wk = 0.0027933 k( 289) = ( 0.0308642 0.0534584 0.3832685), wk = 0.0027933 k( 290) = ( 0.0246914 0.0427667 0.3832685), wk = 0.0027933 k( 291) = ( 0.0185185 0.0320750 0.3832685), wk = 0.0027933 k( 292) = ( 0.0123457 0.0213833 0.3832685), wk = 0.0027933 k( 293) = ( 0.0061728 0.0106917 0.3832685), wk = 0.0027933 k( 294) = ( 0.0000000 0.0000000 0.3832685), wk = 0.0027933 k( 295) = ( 0.5000000 0.2886751 0.3832685), wk = 0.0027933 k( 296) = ( 0.5000000 0.2886751 0.3709050), wk = 0.0027933 k( 297) = ( 0.5000000 0.2886751 0.3585415), wk = 0.0027933 k( 298) = ( 0.5000000 0.2886751 0.3461780), wk = 0.0027933 k( 299) = ( 0.5000000 0.2886751 0.3338145), wk = 0.0027933 k( 300) = ( 0.5000000 0.2886751 0.3214510), wk = 0.0027933 k( 301) = ( 0.5000000 0.2886751 0.3090875), wk = 0.0027933 k( 302) = ( 0.5000000 0.2886751 0.2967240), wk = 0.0027933 k( 303) = ( 0.5000000 0.2886751 0.2843605), wk = 0.0027933 k( 304) = ( 0.5000000 0.2886751 0.2719970), wk = 0.0027933 k( 305) = ( 0.5000000 0.2886751 0.2596335), wk = 0.0027933 k( 306) = ( 0.5000000 0.2886751 0.2472700), wk = 0.0027933 k( 307) = ( 0.5000000 0.2886751 0.2349065), wk = 0.0027933 k( 308) = ( 0.5000000 0.2886751 0.2225430), wk = 0.0027933 k( 309) = ( 0.5000000 0.2886751 0.2101795), wk = 0.0027933 k( 310) = ( 0.5000000 0.2886751 0.1978160), wk = 0.0027933 k( 311) = ( 0.5000000 0.2886751 0.1854525), wk = 0.0027933 k( 312) = ( 0.5000000 0.2886751 0.1730890), wk = 0.0027933 k( 313) = ( 0.5000000 0.2886751 0.1607255), wk = 0.0027933 k( 314) = ( 0.5000000 0.2886751 0.1483620), wk = 0.0027933 k( 315) = ( 0.5000000 0.2886751 0.1359985), wk = 0.0027933 k( 316) = ( 0.5000000 0.2886751 0.1236350), wk = 0.0027933 k( 317) = ( 0.5000000 0.2886751 0.1112715), wk = 0.0027933 k( 318) = ( 0.5000000 0.2886751 0.0989080), wk = 0.0027933 k( 319) = ( 0.5000000 0.2886751 0.0865445), wk = 0.0027933 k( 320) = ( 0.5000000 0.2886751 0.0741810), wk = 0.0027933 k( 321) = ( 0.5000000 0.2886751 0.0618175), wk = 0.0027933 k( 322) = ( 0.5000000 0.2886751 0.0494540), wk = 0.0027933 k( 323) = ( 0.5000000 0.2886751 0.0370905), wk = 0.0027933 k( 324) = ( 0.5000000 0.2886751 0.0247270), wk = 0.0027933 k( 325) = ( 0.5000000 0.2886751 0.0123635), wk = 0.0027933 k( 326) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0027933 k( 327) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0027933 k( 328) = ( 0.3333333 0.5773503 0.0123635), wk = 0.0027933 k( 329) = ( 0.3333333 0.5773503 0.0247270), wk = 0.0027933 k( 330) = ( 0.3333333 0.5773503 0.0370905), wk = 0.0027933 k( 331) = ( 0.3333333 0.5773503 0.0494540), wk = 0.0027933 k( 332) = ( 0.3333333 0.5773503 0.0618175), wk = 0.0027933 k( 333) = ( 0.3333333 0.5773503 0.0741810), wk = 0.0027933 k( 334) = ( 0.3333333 0.5773503 0.0865445), wk = 0.0027933 k( 335) = ( 0.3333333 0.5773503 0.0989080), wk = 0.0027933 k( 336) = ( 0.3333333 0.5773503 0.1112715), wk = 0.0027933 k( 337) = ( 0.3333333 0.5773503 0.1236350), wk = 0.0027933 k( 338) = ( 0.3333333 0.5773503 0.1359985), wk = 0.0027933 k( 339) = ( 0.3333333 0.5773503 0.1483620), wk = 0.0027933 k( 340) = ( 0.3333333 0.5773503 0.1607255), wk = 0.0027933 k( 341) = ( 0.3333333 0.5773503 0.1730890), wk = 0.0027933 k( 342) = ( 0.3333333 0.5773503 0.1854525), wk = 0.0027933 k( 343) = ( 0.3333333 0.5773503 0.1978160), wk = 0.0027933 k( 344) = ( 0.3333333 0.5773503 0.2101795), wk = 0.0027933 k( 345) = ( 0.3333333 0.5773503 0.2225430), wk = 0.0027933 k( 346) = ( 0.3333333 0.5773503 0.2349065), wk = 0.0027933 k( 347) = ( 0.3333333 0.5773503 0.2472700), wk = 0.0027933 k( 348) = ( 0.3333333 0.5773503 0.2596335), wk = 0.0027933 k( 349) = ( 0.3333333 0.5773503 0.2719970), wk = 0.0027933 k( 350) = ( 0.3333333 0.5773503 0.2843605), wk = 0.0027933 k( 351) = ( 0.3333333 0.5773503 0.2967240), wk = 0.0027933 k( 352) = ( 0.3333333 0.5773503 0.3090875), wk = 0.0027933 k( 353) = ( 0.3333333 0.5773503 0.3214510), wk = 0.0027933 k( 354) = ( 0.3333333 0.5773503 0.3338145), wk = 0.0027933 k( 355) = ( 0.3333333 0.5773503 0.3461780), wk = 0.0027933 k( 356) = ( 0.3333333 0.5773503 0.3585415), wk = 0.0027933 k( 357) = ( 0.3333333 0.5773503 0.3709050), wk = 0.0027933 k( 358) = ( 0.3333333 0.5773503 0.3832685), wk = 0.0027933 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027933 k( 2) = ( 0.0106383 -0.0000000 -0.0000000), wk = 0.0027933 k( 3) = ( 0.0212766 -0.0000000 -0.0000000), wk = 0.0027933 k( 4) = ( 0.0319149 0.0000000 0.0000000), wk = 0.0027933 k( 5) = ( 0.0425532 -0.0000000 -0.0000000), wk = 0.0027933 k( 6) = ( 0.0531915 0.0000000 0.0000000), wk = 0.0027933 k( 7) = ( 0.0638298 0.0000000 0.0000000), wk = 0.0027933 k( 8) = ( 0.0744681 -0.0000000 -0.0000000), wk = 0.0027933 k( 9) = ( 0.0851064 -0.0000000 -0.0000000), wk = 0.0027933 k( 10) = ( 0.0957447 0.0000000 0.0000000), wk = 0.0027933 k( 11) = ( 0.1063830 0.0000000 0.0000000), wk = 0.0027933 k( 12) = ( 0.1170213 -0.0000000 -0.0000000), wk = 0.0027933 k( 13) = ( 0.1276596 0.0000000 -0.0000000), wk = 0.0027933 k( 14) = ( 0.1382979 0.0000000 0.0000000), wk = 0.0027933 k( 15) = ( 0.1489362 -0.0000000 0.0000000), wk = 0.0027933 k( 16) = ( 0.1595745 0.0000000 0.0000000), wk = 0.0027933 k( 17) = ( 0.1702128 -0.0000000 0.0000000), wk = 0.0027933 k( 18) = ( 0.1808511 -0.0000000 0.0000000), wk = 0.0027933 k( 19) = ( 0.1914894 0.0000000 0.0000000), wk = 0.0027933 k( 20) = ( 0.2021277 -0.0000000 -0.0000000), wk = 0.0027933 k( 21) = ( 0.2127660 0.0000000 0.0000000), wk = 0.0027933 k( 22) = ( 0.2234043 0.0000000 0.0000000), wk = 0.0027933 k( 23) = ( 0.2340425 0.0000000 -0.0000000), wk = 0.0027933 k( 24) = ( 0.2446809 -0.0000000 0.0000000), wk = 0.0027933 k( 25) = ( 0.2553191 0.0000000 -0.0000000), wk = 0.0027933 k( 26) = ( 0.2659574 0.0000000 0.0000000), wk = 0.0027933 k( 27) = ( 0.2765957 0.0000000 0.0000000), wk = 0.0027933 k( 28) = ( 0.2872340 0.0000000 0.0000000), wk = 0.0027933 k( 29) = ( 0.2978723 -0.0000000 0.0000000), wk = 0.0027933 k( 30) = ( 0.3085106 0.0000000 0.0000000), wk = 0.0027933 k( 31) = ( 0.3191489 0.0000000 0.0000000), wk = 0.0027933 k( 32) = ( 0.3297872 -0.0000000 0.0000000), wk = 0.0027933 k( 33) = ( 0.3404255 0.0000000 0.0000000), wk = 0.0027933 k( 34) = ( 0.3510638 -0.0000000 0.0000000), wk = 0.0027933 k( 35) = ( 0.3617021 -0.0000000 0.0000000), wk = 0.0027933 k( 36) = ( 0.3723404 -0.0000000 0.0000000), wk = 0.0027933 k( 37) = ( 0.3829787 0.0000000 0.0000000), wk = 0.0027933 k( 38) = ( 0.3936170 0.0000000 0.0000000), wk = 0.0027933 k( 39) = ( 0.4042553 -0.0000000 -0.0000000), wk = 0.0027933 k( 40) = ( 0.4148936 0.0000000 0.0000000), wk = 0.0027933 k( 41) = ( 0.4255319 -0.0000000 0.0000000), wk = 0.0027933 k( 42) = ( 0.4361702 0.0000000 0.0000000), wk = 0.0027933 k( 43) = ( 0.4468085 -0.0000000 -0.0000000), wk = 0.0027933 k( 44) = ( 0.4574468 -0.0000000 -0.0000000), wk = 0.0027933 k( 45) = ( 0.4680851 0.0000000 0.0000000), wk = 0.0027933 k( 46) = ( 0.4787234 -0.0000000 0.0000000), wk = 0.0027933 k( 47) = ( 0.4893617 -0.0000000 0.0000000), wk = 0.0027933 k( 48) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0027933 k( 49) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0027933 k( 50) = ( 0.4938272 0.0123457 -0.0000000), wk = 0.0027933 k( 51) = ( 0.4876543 0.0246914 -0.0000000), wk = 0.0027933 k( 52) = ( 0.4814815 0.0370370 -0.0000000), wk = 0.0027933 k( 53) = ( 0.4753086 0.0493827 0.0000000), wk = 0.0027933 k( 54) = ( 0.4691358 0.0617284 0.0000000), wk = 0.0027933 k( 55) = ( 0.4629630 0.0740741 0.0000000), wk = 0.0027933 k( 56) = ( 0.4567901 0.0864197 0.0000000), wk = 0.0027933 k( 57) = ( 0.4506173 0.0987654 0.0000000), wk = 0.0027933 k( 58) = ( 0.4444444 0.1111111 -0.0000000), wk = 0.0027933 k( 59) = ( 0.4382716 0.1234568 0.0000000), wk = 0.0027933 k( 60) = ( 0.4320988 0.1358025 -0.0000000), wk = 0.0027933 k( 61) = ( 0.4259259 0.1481481 -0.0000000), wk = 0.0027933 k( 62) = ( 0.4197531 0.1604938 0.0000000), wk = 0.0027933 k( 63) = ( 0.4135802 0.1728395 0.0000000), wk = 0.0027933 k( 64) = ( 0.4074074 0.1851852 -0.0000000), wk = 0.0027933 k( 65) = ( 0.4012346 0.1975309 -0.0000000), wk = 0.0027933 k( 66) = ( 0.3950617 0.2098765 0.0000000), wk = 0.0027933 k( 67) = ( 0.3888889 0.2222222 0.0000000), wk = 0.0027933 k( 68) = ( 0.3827160 0.2345679 0.0000000), wk = 0.0027933 k( 69) = ( 0.3765432 0.2469136 -0.0000000), wk = 0.0027933 k( 70) = ( 0.3703704 0.2592593 -0.0000000), wk = 0.0027933 k( 71) = ( 0.3641975 0.2716049 -0.0000000), wk = 0.0027933 k( 72) = ( 0.3580247 0.2839506 0.0000000), wk = 0.0027933 k( 73) = ( 0.3518519 0.2962963 0.0000000), wk = 0.0027933 k( 74) = ( 0.3456790 0.3086420 0.0000000), wk = 0.0027933 k( 75) = ( 0.3395062 0.3209877 0.0000000), wk = 0.0027933 k( 76) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0027933 k( 77) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0027933 k( 78) = ( 0.3271605 0.3271605 -0.0000000), wk = 0.0027933 k( 79) = ( 0.3209877 0.3209877 0.0000000), wk = 0.0027933 k( 80) = ( 0.3148148 0.3148148 0.0000000), wk = 0.0027933 k( 81) = ( 0.3086420 0.3086420 -0.0000000), wk = 0.0027933 k( 82) = ( 0.3024691 0.3024691 -0.0000000), wk = 0.0027933 k( 83) = ( 0.2962963 0.2962963 0.0000000), wk = 0.0027933 k( 84) = ( 0.2901235 0.2901235 -0.0000000), wk = 0.0027933 k( 85) = ( 0.2839506 0.2839506 0.0000000), wk = 0.0027933 k( 86) = ( 0.2777778 0.2777778 -0.0000000), wk = 0.0027933 k( 87) = ( 0.2716049 0.2716049 0.0000000), wk = 0.0027933 k( 88) = ( 0.2654321 0.2654321 -0.0000000), wk = 0.0027933 k( 89) = ( 0.2592593 0.2592593 0.0000000), wk = 0.0027933 k( 90) = ( 0.2530864 0.2530864 0.0000000), wk = 0.0027933 k( 91) = ( 0.2469136 0.2469136 0.0000000), wk = 0.0027933 k( 92) = ( 0.2407407 0.2407407 -0.0000000), wk = 0.0027933 k( 93) = ( 0.2345679 0.2345679 -0.0000000), wk = 0.0027933 k( 94) = ( 0.2283951 0.2283951 -0.0000000), wk = 0.0027933 k( 95) = ( 0.2222222 0.2222222 0.0000000), wk = 0.0027933 k( 96) = ( 0.2160494 0.2160494 0.0000000), wk = 0.0027933 k( 97) = ( 0.2098765 0.2098765 0.0000000), wk = 0.0027933 k( 98) = ( 0.2037037 0.2037037 0.0000000), wk = 0.0027933 k( 99) = ( 0.1975309 0.1975309 0.0000000), wk = 0.0027933 k( 100) = ( 0.1913580 0.1913580 0.0000000), wk = 0.0027933 k( 101) = ( 0.1851852 0.1851852 -0.0000000), wk = 0.0027933 k( 102) = ( 0.1790123 0.1790123 0.0000000), wk = 0.0027933 k( 103) = ( 0.1728395 0.1728395 0.0000000), wk = 0.0027933 k( 104) = ( 0.1666667 0.1666667 -0.0000000), wk = 0.0027933 k( 105) = ( 0.1604938 0.1604938 -0.0000000), wk = 0.0027933 k( 106) = ( 0.1543210 0.1543210 -0.0000000), wk = 0.0027933 k( 107) = ( 0.1481482 0.1481482 0.0000000), wk = 0.0027933 k( 108) = ( 0.1419753 0.1419753 0.0000000), wk = 0.0027933 k( 109) = ( 0.1358025 0.1358025 0.0000000), wk = 0.0027933 k( 110) = ( 0.1296296 0.1296296 0.0000000), wk = 0.0027933 k( 111) = ( 0.1234568 0.1234568 0.0000000), wk = 0.0027933 k( 112) = ( 0.1172839 0.1172839 -0.0000000), wk = 0.0027933 k( 113) = ( 0.1111111 0.1111111 0.0000000), wk = 0.0027933 k( 114) = ( 0.1049383 0.1049383 0.0000000), wk = 0.0027933 k( 115) = ( 0.0987654 0.0987654 0.0000000), wk = 0.0027933 k( 116) = ( 0.0925926 0.0925926 0.0000000), wk = 0.0027933 k( 117) = ( 0.0864198 0.0864198 0.0000000), wk = 0.0027933 k( 118) = ( 0.0802469 0.0802469 -0.0000000), wk = 0.0027933 k( 119) = ( 0.0740741 0.0740741 0.0000000), wk = 0.0027933 k( 120) = ( 0.0679012 0.0679012 0.0000000), wk = 0.0027933 k( 121) = ( 0.0617284 0.0617284 -0.0000000), wk = 0.0027933 k( 122) = ( 0.0555556 0.0555556 -0.0000000), wk = 0.0027933 k( 123) = ( 0.0493827 0.0493827 0.0000000), wk = 0.0027933 k( 124) = ( 0.0432099 0.0432099 -0.0000000), wk = 0.0027933 k( 125) = ( 0.0370370 0.0370370 0.0000000), wk = 0.0027933 k( 126) = ( 0.0308642 0.0308642 -0.0000000), wk = 0.0027933 k( 127) = ( 0.0246914 0.0246914 0.0000000), wk = 0.0027933 k( 128) = ( 0.0185185 0.0185185 0.0000000), wk = 0.0027933 k( 129) = ( 0.0123457 0.0123457 0.0000000), wk = 0.0027933 k( 130) = ( 0.0061728 0.0061728 0.0000000), wk = 0.0027933 k( 131) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027933 k( 132) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027933 k( 133) = ( 0.0000000 0.0000000 0.0161290), wk = 0.0027933 k( 134) = ( 0.0000000 0.0000000 0.0322581), wk = 0.0027933 k( 135) = ( 0.0000000 0.0000000 0.0483871), wk = 0.0027933 k( 136) = ( 0.0000000 0.0000000 0.0645161), wk = 0.0027933 k( 137) = ( 0.0000000 0.0000000 0.0806452), wk = 0.0027933 k( 138) = ( 0.0000000 0.0000000 0.0967742), wk = 0.0027933 k( 139) = ( 0.0000000 0.0000000 0.1129032), wk = 0.0027933 k( 140) = ( 0.0000000 0.0000000 0.1290323), wk = 0.0027933 k( 141) = ( 0.0000000 0.0000000 0.1451613), wk = 0.0027933 k( 142) = ( 0.0000000 0.0000000 0.1612903), wk = 0.0027933 k( 143) = ( 0.0000000 0.0000000 0.1774193), wk = 0.0027933 k( 144) = ( 0.0000000 0.0000000 0.1935484), wk = 0.0027933 k( 145) = ( 0.0000000 0.0000000 0.2096774), wk = 0.0027933 k( 146) = ( 0.0000000 0.0000000 0.2258064), wk = 0.0027933 k( 147) = ( 0.0000000 0.0000000 0.2419355), wk = 0.0027933 k( 148) = ( 0.0000000 0.0000000 0.2580645), wk = 0.0027933 k( 149) = ( 0.0000000 0.0000000 0.2741936), wk = 0.0027933 k( 150) = ( 0.0000000 0.0000000 0.2903226), wk = 0.0027933 k( 151) = ( 0.0000000 0.0000000 0.3064516), wk = 0.0027933 k( 152) = ( 0.0000000 0.0000000 0.3225807), wk = 0.0027933 k( 153) = ( 0.0000000 0.0000000 0.3387097), wk = 0.0027933 k( 154) = ( 0.0000000 0.0000000 0.3548387), wk = 0.0027933 k( 155) = ( 0.0000000 0.0000000 0.3709677), wk = 0.0027933 k( 156) = ( 0.0000000 0.0000000 0.3870968), wk = 0.0027933 k( 157) = ( 0.0000000 0.0000000 0.4032258), wk = 0.0027933 k( 158) = ( 0.0000000 0.0000000 0.4193548), wk = 0.0027933 k( 159) = ( 0.0000000 0.0000000 0.4354839), wk = 0.0027933 k( 160) = ( 0.0000000 0.0000000 0.4516129), wk = 0.0027933 k( 161) = ( 0.0000000 0.0000000 0.4677419), wk = 0.0027933 k( 162) = ( 0.0000000 0.0000000 0.4838710), wk = 0.0027933 k( 163) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0027933 k( 164) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0027933 k( 165) = ( 0.0106383 -0.0000000 0.5000000), wk = 0.0027933 k( 166) = ( 0.0212766 -0.0000000 0.5000000), wk = 0.0027933 k( 167) = ( 0.0319149 0.0000000 0.5000000), wk = 0.0027933 k( 168) = ( 0.0425532 -0.0000000 0.5000000), wk = 0.0027933 k( 169) = ( 0.0531915 0.0000000 0.5000000), wk = 0.0027933 k( 170) = ( 0.0638298 0.0000000 0.5000000), wk = 0.0027933 k( 171) = ( 0.0744681 -0.0000000 0.5000000), wk = 0.0027933 k( 172) = ( 0.0851064 -0.0000000 0.5000000), wk = 0.0027933 k( 173) = ( 0.0957447 0.0000000 0.5000000), wk = 0.0027933 k( 174) = ( 0.1063830 0.0000000 0.5000000), wk = 0.0027933 k( 175) = ( 0.1170213 -0.0000000 0.5000000), wk = 0.0027933 k( 176) = ( 0.1276596 0.0000000 0.5000000), wk = 0.0027933 k( 177) = ( 0.1382979 0.0000000 0.5000000), wk = 0.0027933 k( 178) = ( 0.1489362 -0.0000000 0.5000000), wk = 0.0027933 k( 179) = ( 0.1595745 0.0000000 0.5000000), wk = 0.0027933 k( 180) = ( 0.1702128 -0.0000000 0.5000000), wk = 0.0027933 k( 181) = ( 0.1808511 -0.0000000 0.5000000), wk = 0.0027933 k( 182) = ( 0.1914894 0.0000000 0.5000000), wk = 0.0027933 k( 183) = ( 0.2021277 -0.0000000 0.5000000), wk = 0.0027933 k( 184) = ( 0.2127660 0.0000000 0.5000000), wk = 0.0027933 k( 185) = ( 0.2234043 0.0000000 0.5000000), wk = 0.0027933 k( 186) = ( 0.2340425 0.0000000 0.5000000), wk = 0.0027933 k( 187) = ( 0.2446809 -0.0000000 0.5000000), wk = 0.0027933 k( 188) = ( 0.2553191 0.0000000 0.5000000), wk = 0.0027933 k( 189) = ( 0.2659574 0.0000000 0.5000000), wk = 0.0027933 k( 190) = ( 0.2765957 0.0000000 0.5000000), wk = 0.0027933 k( 191) = ( 0.2872340 0.0000000 0.5000000), wk = 0.0027933 k( 192) = ( 0.2978723 -0.0000000 0.5000000), wk = 0.0027933 k( 193) = ( 0.3085106 0.0000000 0.5000000), wk = 0.0027933 k( 194) = ( 0.3191489 0.0000000 0.5000000), wk = 0.0027933 k( 195) = ( 0.3297872 -0.0000000 0.5000000), wk = 0.0027933 k( 196) = ( 0.3404255 0.0000000 0.5000000), wk = 0.0027933 k( 197) = ( 0.3510638 -0.0000000 0.5000000), wk = 0.0027933 k( 198) = ( 0.3617021 -0.0000000 0.5000000), wk = 0.0027933 k( 199) = ( 0.3723404 -0.0000000 0.5000000), wk = 0.0027933 k( 200) = ( 0.3829787 0.0000000 0.5000000), wk = 0.0027933 k( 201) = ( 0.3936170 0.0000000 0.5000000), wk = 0.0027933 k( 202) = ( 0.4042553 -0.0000000 0.5000000), wk = 0.0027933 k( 203) = ( 0.4148936 0.0000000 0.5000000), wk = 0.0027933 k( 204) = ( 0.4255319 -0.0000000 0.5000000), wk = 0.0027933 k( 205) = ( 0.4361702 0.0000000 0.5000000), wk = 0.0027933 k( 206) = ( 0.4468085 -0.0000000 0.5000000), wk = 0.0027933 k( 207) = ( 0.4574468 -0.0000000 0.5000000), wk = 0.0027933 k( 208) = ( 0.4680851 0.0000000 0.5000000), wk = 0.0027933 k( 209) = ( 0.4787234 -0.0000000 0.5000000), wk = 0.0027933 k( 210) = ( 0.4893617 -0.0000000 0.5000000), wk = 0.0027933 k( 211) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0027933 k( 212) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0027933 k( 213) = ( 0.4938272 0.0123457 0.5000000), wk = 0.0027933 k( 214) = ( 0.4876543 0.0246914 0.5000000), wk = 0.0027933 k( 215) = ( 0.4814815 0.0370370 0.5000000), wk = 0.0027933 k( 216) = ( 0.4753086 0.0493827 0.5000000), wk = 0.0027933 k( 217) = ( 0.4691358 0.0617284 0.5000000), wk = 0.0027933 k( 218) = ( 0.4629630 0.0740741 0.5000000), wk = 0.0027933 k( 219) = ( 0.4567901 0.0864197 0.5000000), wk = 0.0027933 k( 220) = ( 0.4506173 0.0987654 0.5000000), wk = 0.0027933 k( 221) = ( 0.4444444 0.1111111 0.5000000), wk = 0.0027933 k( 222) = ( 0.4382716 0.1234568 0.5000000), wk = 0.0027933 k( 223) = ( 0.4320988 0.1358025 0.5000000), wk = 0.0027933 k( 224) = ( 0.4259259 0.1481481 0.5000000), wk = 0.0027933 k( 225) = ( 0.4197531 0.1604938 0.5000000), wk = 0.0027933 k( 226) = ( 0.4135802 0.1728395 0.5000000), wk = 0.0027933 k( 227) = ( 0.4074074 0.1851852 0.5000000), wk = 0.0027933 k( 228) = ( 0.4012346 0.1975309 0.5000000), wk = 0.0027933 k( 229) = ( 0.3950617 0.2098765 0.5000000), wk = 0.0027933 k( 230) = ( 0.3888889 0.2222222 0.5000000), wk = 0.0027933 k( 231) = ( 0.3827160 0.2345679 0.5000000), wk = 0.0027933 k( 232) = ( 0.3765432 0.2469136 0.5000000), wk = 0.0027933 k( 233) = ( 0.3703704 0.2592593 0.5000000), wk = 0.0027933 k( 234) = ( 0.3641975 0.2716049 0.5000000), wk = 0.0027933 k( 235) = ( 0.3580247 0.2839506 0.5000000), wk = 0.0027933 k( 236) = ( 0.3518519 0.2962963 0.5000000), wk = 0.0027933 k( 237) = ( 0.3456790 0.3086420 0.5000000), wk = 0.0027933 k( 238) = ( 0.3395062 0.3209877 0.5000000), wk = 0.0027933 k( 239) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0027933 k( 240) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0027933 k( 241) = ( 0.3271605 0.3271605 0.5000000), wk = 0.0027933 k( 242) = ( 0.3209877 0.3209877 0.5000000), wk = 0.0027933 k( 243) = ( 0.3148148 0.3148148 0.5000000), wk = 0.0027933 k( 244) = ( 0.3086420 0.3086420 0.5000000), wk = 0.0027933 k( 245) = ( 0.3024691 0.3024691 0.5000000), wk = 0.0027933 k( 246) = ( 0.2962963 0.2962963 0.5000000), wk = 0.0027933 k( 247) = ( 0.2901235 0.2901235 0.5000000), wk = 0.0027933 k( 248) = ( 0.2839506 0.2839506 0.5000000), wk = 0.0027933 k( 249) = ( 0.2777778 0.2777778 0.5000000), wk = 0.0027933 k( 250) = ( 0.2716049 0.2716049 0.5000000), wk = 0.0027933 k( 251) = ( 0.2654321 0.2654321 0.5000000), wk = 0.0027933 k( 252) = ( 0.2592593 0.2592593 0.5000000), wk = 0.0027933 k( 253) = ( 0.2530864 0.2530864 0.5000000), wk = 0.0027933 k( 254) = ( 0.2469136 0.2469136 0.5000000), wk = 0.0027933 k( 255) = ( 0.2407407 0.2407407 0.5000000), wk = 0.0027933 k( 256) = ( 0.2345679 0.2345679 0.5000000), wk = 0.0027933 k( 257) = ( 0.2283951 0.2283951 0.5000000), wk = 0.0027933 k( 258) = ( 0.2222222 0.2222222 0.5000000), wk = 0.0027933 k( 259) = ( 0.2160494 0.2160494 0.5000000), wk = 0.0027933 k( 260) = ( 0.2098765 0.2098765 0.5000000), wk = 0.0027933 k( 261) = ( 0.2037037 0.2037037 0.5000000), wk = 0.0027933 k( 262) = ( 0.1975309 0.1975309 0.5000000), wk = 0.0027933 k( 263) = ( 0.1913580 0.1913580 0.5000000), wk = 0.0027933 k( 264) = ( 0.1851852 0.1851852 0.5000000), wk = 0.0027933 k( 265) = ( 0.1790123 0.1790123 0.5000000), wk = 0.0027933 k( 266) = ( 0.1728395 0.1728395 0.5000000), wk = 0.0027933 k( 267) = ( 0.1666667 0.1666667 0.5000000), wk = 0.0027933 k( 268) = ( 0.1604938 0.1604938 0.5000000), wk = 0.0027933 k( 269) = ( 0.1543210 0.1543210 0.5000000), wk = 0.0027933 k( 270) = ( 0.1481482 0.1481482 0.5000000), wk = 0.0027933 k( 271) = ( 0.1419753 0.1419753 0.5000000), wk = 0.0027933 k( 272) = ( 0.1358025 0.1358025 0.5000000), wk = 0.0027933 k( 273) = ( 0.1296296 0.1296296 0.5000000), wk = 0.0027933 k( 274) = ( 0.1234568 0.1234568 0.5000000), wk = 0.0027933 k( 275) = ( 0.1172839 0.1172839 0.5000000), wk = 0.0027933 k( 276) = ( 0.1111111 0.1111111 0.5000000), wk = 0.0027933 k( 277) = ( 0.1049383 0.1049383 0.5000000), wk = 0.0027933 k( 278) = ( 0.0987654 0.0987654 0.5000000), wk = 0.0027933 k( 279) = ( 0.0925926 0.0925926 0.5000000), wk = 0.0027933 k( 280) = ( 0.0864198 0.0864198 0.5000000), wk = 0.0027933 k( 281) = ( 0.0802469 0.0802469 0.5000000), wk = 0.0027933 k( 282) = ( 0.0740741 0.0740741 0.5000000), wk = 0.0027933 k( 283) = ( 0.0679012 0.0679012 0.5000000), wk = 0.0027933 k( 284) = ( 0.0617284 0.0617284 0.5000000), wk = 0.0027933 k( 285) = ( 0.0555556 0.0555556 0.5000000), wk = 0.0027933 k( 286) = ( 0.0493827 0.0493827 0.5000000), wk = 0.0027933 k( 287) = ( 0.0432099 0.0432099 0.5000000), wk = 0.0027933 k( 288) = ( 0.0370370 0.0370370 0.5000000), wk = 0.0027933 k( 289) = ( 0.0308642 0.0308642 0.5000000), wk = 0.0027933 k( 290) = ( 0.0246914 0.0246914 0.5000000), wk = 0.0027933 k( 291) = ( 0.0185185 0.0185185 0.5000000), wk = 0.0027933 k( 292) = ( 0.0123457 0.0123457 0.5000000), wk = 0.0027933 k( 293) = ( 0.0061728 0.0061728 0.5000000), wk = 0.0027933 k( 294) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0027933 k( 295) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0027933 k( 296) = ( 0.5000000 0.0000000 0.4838710), wk = 0.0027933 k( 297) = ( 0.5000000 0.0000000 0.4677419), wk = 0.0027933 k( 298) = ( 0.5000000 0.0000000 0.4516129), wk = 0.0027933 k( 299) = ( 0.5000000 0.0000000 0.4354839), wk = 0.0027933 k( 300) = ( 0.5000000 0.0000000 0.4193548), wk = 0.0027933 k( 301) = ( 0.5000000 0.0000000 0.4032258), wk = 0.0027933 k( 302) = ( 0.5000000 0.0000000 0.3870968), wk = 0.0027933 k( 303) = ( 0.5000000 0.0000000 0.3709677), wk = 0.0027933 k( 304) = ( 0.5000000 0.0000000 0.3548387), wk = 0.0027933 k( 305) = ( 0.5000000 0.0000000 0.3387097), wk = 0.0027933 k( 306) = ( 0.5000000 0.0000000 0.3225807), wk = 0.0027933 k( 307) = ( 0.5000000 0.0000000 0.3064516), wk = 0.0027933 k( 308) = ( 0.5000000 0.0000000 0.2903226), wk = 0.0027933 k( 309) = ( 0.5000000 0.0000000 0.2741936), wk = 0.0027933 k( 310) = ( 0.5000000 0.0000000 0.2580645), wk = 0.0027933 k( 311) = ( 0.5000000 0.0000000 0.2419355), wk = 0.0027933 k( 312) = ( 0.5000000 0.0000000 0.2258064), wk = 0.0027933 k( 313) = ( 0.5000000 0.0000000 0.2096774), wk = 0.0027933 k( 314) = ( 0.5000000 0.0000000 0.1935484), wk = 0.0027933 k( 315) = ( 0.5000000 0.0000000 0.1774194), wk = 0.0027933 k( 316) = ( 0.5000000 0.0000000 0.1612903), wk = 0.0027933 k( 317) = ( 0.5000000 0.0000000 0.1451613), wk = 0.0027933 k( 318) = ( 0.5000000 0.0000000 0.1290323), wk = 0.0027933 k( 319) = ( 0.5000000 0.0000000 0.1129032), wk = 0.0027933 k( 320) = ( 0.5000000 0.0000000 0.0967742), wk = 0.0027933 k( 321) = ( 0.5000000 0.0000000 0.0806452), wk = 0.0027933 k( 322) = ( 0.5000000 0.0000000 0.0645161), wk = 0.0027933 k( 323) = ( 0.5000000 0.0000000 0.0483871), wk = 0.0027933 k( 324) = ( 0.5000000 0.0000000 0.0322581), wk = 0.0027933 k( 325) = ( 0.5000000 0.0000000 0.0161290), wk = 0.0027933 k( 326) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0027933 k( 327) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0027933 k( 328) = ( 0.3333333 0.3333333 0.0161290), wk = 0.0027933 k( 329) = ( 0.3333333 0.3333333 0.0322581), wk = 0.0027933 k( 330) = ( 0.3333333 0.3333333 0.0483871), wk = 0.0027933 k( 331) = ( 0.3333333 0.3333333 0.0645161), wk = 0.0027933 k( 332) = ( 0.3333333 0.3333333 0.0806452), wk = 0.0027933 k( 333) = ( 0.3333333 0.3333333 0.0967742), wk = 0.0027933 k( 334) = ( 0.3333333 0.3333333 0.1129032), wk = 0.0027933 k( 335) = ( 0.3333333 0.3333333 0.1290323), wk = 0.0027933 k( 336) = ( 0.3333333 0.3333333 0.1451613), wk = 0.0027933 k( 337) = ( 0.3333333 0.3333333 0.1612903), wk = 0.0027933 k( 338) = ( 0.3333333 0.3333333 0.1774193), wk = 0.0027933 k( 339) = ( 0.3333333 0.3333333 0.1935484), wk = 0.0027933 k( 340) = ( 0.3333333 0.3333333 0.2096774), wk = 0.0027933 k( 341) = ( 0.3333333 0.3333333 0.2258064), wk = 0.0027933 k( 342) = ( 0.3333333 0.3333333 0.2419355), wk = 0.0027933 k( 343) = ( 0.3333333 0.3333333 0.2580645), wk = 0.0027933 k( 344) = ( 0.3333333 0.3333333 0.2741936), wk = 0.0027933 k( 345) = ( 0.3333333 0.3333333 0.2903226), wk = 0.0027933 k( 346) = ( 0.3333333 0.3333333 0.3064516), wk = 0.0027933 k( 347) = ( 0.3333333 0.3333333 0.3225807), wk = 0.0027933 k( 348) = ( 0.3333333 0.3333333 0.3387097), wk = 0.0027933 k( 349) = ( 0.3333333 0.3333333 0.3548387), wk = 0.0027933 k( 350) = ( 0.3333333 0.3333333 0.3709677), wk = 0.0027933 k( 351) = ( 0.3333333 0.3333333 0.3870968), wk = 0.0027933 k( 352) = ( 0.3333333 0.3333333 0.4032258), wk = 0.0027933 k( 353) = ( 0.3333333 0.3333333 0.4193548), wk = 0.0027933 k( 354) = ( 0.3333333 0.3333333 0.4354839), wk = 0.0027933 k( 355) = ( 0.3333333 0.3333333 0.4516129), wk = 0.0027933 k( 356) = ( 0.3333333 0.3333333 0.4677419), wk = 0.0027933 k( 357) = ( 0.3333333 0.3333333 0.4838710), wk = 0.0027933 k( 358) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0027933 Dense grid: 29641 G-vectors FFT dimensions: ( 40, 40, 50) Smooth grid: 17153 G-vectors FFT dimensions: ( 32, 32, 45) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.08 Mb ( 140, 38) NL pseudopotentials 0.15 Mb ( 70, 136) Each V/rho on FFT grid 0.05 Mb ( 3200) Each G-vector array 0.01 Mb ( 828) G-vector shells 0.00 Mb ( 356) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.32 Mb ( 140, 152) Each subspace H/S matrix 0.02 Mb ( 38, 38) Each matrix 0.16 Mb ( 136, 2, 38) The potential is recalculated from file : ./NiSb.save/charge-density.dat Starting wfc are 52 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.3 secs Computing kpt #: 2 total cpu time spent up to now is 2.5 secs Computing kpt #: 3 total cpu time spent up to now is 2.7 secs Computing kpt #: 4 total cpu time spent up to now is 2.9 secs Computing kpt #: 5 total cpu time spent up to now is 3.1 secs Computing kpt #: 6 total cpu time spent up to now is 3.3 secs Computing kpt #: 7 total cpu time spent up to now is 3.5 secs Computing kpt #: 8 total cpu time spent up to now is 3.8 secs Computing kpt #: 9 total cpu time spent up to now is 4.0 secs Computing kpt #: 10 total cpu time spent up to now is 4.2 secs Computing kpt #: 11 total cpu time spent up to now is 4.4 secs Computing kpt #: 12 total cpu time spent up to now is 4.6 secs Computing kpt #: 13 total cpu time spent up to now is 4.9 secs Computing kpt #: 14 total cpu time spent up to now is 5.1 secs Computing kpt #: 15 total cpu time spent up to now is 5.3 secs Computing kpt #: 16 total cpu time spent up to now is 5.5 secs Computing kpt #: 17 total cpu time spent up to now is 5.8 secs Computing kpt #: 18 total cpu time spent up to now is 6.0 secs Computing kpt #: 19 total cpu time spent up to now is 6.2 secs Computing kpt #: 20 total cpu time spent up to now is 6.4 secs Computing kpt #: 21 total cpu time spent up to now is 6.7 secs Computing kpt #: 22 total cpu time spent up to now is 6.9 secs Computing kpt #: 23 total cpu time spent up to now is 7.1 secs Computing kpt #: 24 total cpu time spent up to now is 7.3 secs Computing kpt #: 25 total cpu time spent up to now is 7.5 secs Computing kpt #: 26 total cpu time spent up to now is 7.7 secs Computing kpt #: 27 total cpu time spent up to now is 8.0 secs Computing kpt #: 28 total cpu time spent up to now is 8.2 secs Computing kpt #: 29 total cpu time spent up to now is 8.4 secs Computing kpt #: 30 total cpu time spent up to now is 8.6 secs Computing kpt #: 31 total cpu time spent up to now is 8.8 secs Computing kpt #: 32 total cpu time spent up to now is 9.1 secs Computing kpt #: 33 total cpu time spent up to now is 9.3 secs Computing kpt #: 34 total cpu time spent up to now is 9.5 secs Computing kpt #: 35 total cpu time spent up to now is 9.7 secs Computing kpt #: 36 total cpu time spent up to now is 10.0 secs Computing kpt #: 37 total cpu time spent up to now is 10.2 secs Computing kpt #: 38 total cpu time spent up to now is 10.4 secs Computing kpt #: 39 total cpu time spent up to now is 10.6 secs Computing kpt #: 40 total cpu time spent up to now is 10.9 secs Computing kpt #: 41 total cpu time spent up to now is 11.1 secs Computing kpt #: 42 total cpu time spent up to now is 11.3 secs Computing kpt #: 43 total cpu time spent up to now is 11.5 secs Computing kpt #: 44 total cpu time spent up to now is 11.8 secs Computing kpt #: 45 total cpu time spent up to now is 12.0 secs Computing kpt #: 46 total cpu time spent up to now is 12.2 secs Computing kpt #: 47 total cpu time spent up to now is 12.4 secs Computing kpt #: 48 total cpu time spent up to now is 12.6 secs Computing kpt #: 49 total cpu time spent up to now is 12.8 secs Computing kpt #: 50 total cpu time spent up to now is 13.1 secs Computing kpt #: 51 total cpu time spent up to now is 13.3 secs Computing kpt #: 52 total cpu time spent up to now is 13.5 secs Computing kpt #: 53 total cpu time spent up to now is 13.7 secs Computing kpt #: 54 total cpu time spent up to now is 14.0 secs Computing kpt #: 55 total cpu time spent up to now is 14.2 secs Computing kpt #: 56 total cpu time spent up to now is 14.4 secs Computing kpt #: 57 total cpu time spent up to now is 14.7 secs Computing kpt #: 58 total cpu time spent up to now is 14.9 secs Computing kpt #: 59 total cpu time spent up to now is 15.1 secs Computing kpt #: 60 total cpu time spent up to now is 15.3 secs Computing kpt #: 61 total cpu time spent up to now is 15.5 secs Computing kpt #: 62 total cpu time spent up to now is 15.7 secs Computing kpt #: 63 total cpu time spent up to now is 15.9 secs Computing kpt #: 64 total cpu time spent up to now is 16.1 secs Computing kpt #: 65 total cpu time spent up to now is 16.3 secs Computing kpt #: 66 total cpu time spent up to now is 16.5 secs Computing kpt #: 67 total cpu time spent up to now is 16.7 secs Computing kpt #: 68 total cpu time spent up to now is 16.9 secs Computing kpt #: 69 total cpu time spent up to now is 17.0 secs Computing kpt #: 70 total cpu time spent up to now is 17.2 secs Computing kpt #: 71 total cpu time spent up to now is 17.4 secs Computing kpt #: 72 total cpu time spent up to now is 17.6 secs Computing kpt #: 73 total cpu time spent up to now is 17.7 secs Computing kpt #: 74 total cpu time spent up to now is 17.9 secs Computing kpt #: 75 total cpu time spent up to now is 18.1 secs Computing kpt #: 76 total cpu time spent up to now is 18.2 secs Computing kpt #: 77 total cpu time spent up to now is 18.4 secs Computing kpt #: 78 total cpu time spent up to now is 18.6 secs Computing kpt #: 79 total cpu time spent up to now is 18.8 secs Computing kpt #: 80 total cpu time spent up to now is 18.9 secs Computing kpt #: 81 total cpu time spent up to now is 19.1 secs Computing kpt #: 82 total cpu time spent up to now is 19.3 secs Computing kpt #: 83 total cpu time spent up to now is 19.4 secs Computing kpt #: 84 total cpu time spent up to now is 19.6 secs Computing kpt #: 85 total cpu time spent up to now is 19.8 secs Computing kpt #: 86 total cpu time spent up to now is 20.0 secs Computing kpt #: 87 total cpu time spent up to now is 20.2 secs Computing kpt #: 88 total cpu time spent up to now is 20.3 secs Computing kpt #: 89 total cpu time spent up to now is 20.5 secs Computing kpt #: 90 total cpu time spent up to now is 20.7 secs Computing kpt #: 91 total cpu time spent up to now is 20.9 secs Computing kpt #: 92 total cpu time spent up to now is 21.1 secs Computing kpt #: 93 total cpu time spent up to now is 21.3 secs Computing kpt #: 94 total cpu time spent up to now is 21.5 secs Computing kpt #: 95 total cpu time spent up to now is 21.7 secs Computing kpt #: 96 total cpu time spent up to now is 21.9 secs Computing kpt #: 97 total cpu time spent up to now is 22.1 secs Computing kpt #: 98 total cpu time spent up to now is 22.3 secs Computing kpt #: 99 total cpu time spent up to now is 22.5 secs Computing kpt #: 100 total cpu time spent up to now is 22.7 secs Computing kpt #: 101 total cpu time spent up to now is 22.9 secs Computing kpt #: 102 total cpu time spent up to now is 23.1 secs Computing kpt #: 103 total cpu time spent up to now is 23.4 secs Computing kpt #: 104 total cpu time spent up to now is 23.6 secs Computing kpt #: 105 total cpu time spent up to now is 23.9 secs Computing kpt #: 106 total cpu time spent up to now is 24.1 secs Computing kpt #: 107 total cpu time spent up to now is 24.4 secs Computing kpt #: 108 total cpu time spent up to now is 24.7 secs Computing kpt #: 109 total cpu time spent up to now is 24.9 secs Computing kpt #: 110 total cpu time spent up to now is 25.2 secs Computing kpt #: 111 total cpu time spent up to now is 25.5 secs Computing kpt #: 112 total cpu time spent up to now is 25.8 secs Computing kpt #: 113 total cpu time spent up to now is 26.0 secs Computing kpt #: 114 total cpu time spent up to now is 26.3 secs Computing kpt #: 115 total cpu time spent up to now is 26.6 secs Computing kpt #: 116 total cpu time spent up to now is 26.9 secs Computing kpt #: 117 total cpu time spent up to now is 27.1 secs Computing kpt #: 118 total cpu time spent up to now is 27.3 secs Computing kpt #: 119 total cpu time spent up to now is 27.5 secs Computing kpt #: 120 total cpu time spent up to now is 27.8 secs Computing kpt #: 121 total cpu time spent up to now is 28.0 secs Computing kpt #: 122 total cpu time spent up to now is 28.2 secs Computing kpt #: 123 total cpu time spent up to now is 28.4 secs Computing kpt #: 124 total cpu time spent up to now is 28.6 secs Computing kpt #: 125 total cpu time spent up to now is 28.8 secs Computing kpt #: 126 total cpu time spent up to now is 29.1 secs Computing kpt #: 127 total cpu time spent up to now is 29.3 secs Computing kpt #: 128 total cpu time spent up to now is 29.5 secs Computing kpt #: 129 total cpu time spent up to now is 29.7 secs Computing kpt #: 130 total cpu time spent up to now is 29.9 secs Computing kpt #: 131 total cpu time spent up to now is 30.1 secs Computing kpt #: 132 total cpu time spent up to now is 30.3 secs Computing kpt #: 133 total cpu time spent up to now is 30.5 secs Computing kpt #: 134 total cpu time spent up to now is 30.7 secs Computing kpt #: 135 total cpu time spent up to now is 30.9 secs Computing kpt #: 136 total cpu time spent up to now is 31.2 secs Computing kpt #: 137 total cpu time spent up to now is 31.4 secs Computing kpt #: 138 total cpu time spent up to now is 31.6 secs Computing kpt #: 139 total cpu time spent up to now is 31.8 secs Computing kpt #: 140 total cpu time spent up to now is 32.0 secs Computing kpt #: 141 total cpu time spent up to now is 32.3 secs Computing kpt #: 142 total cpu time spent up to now is 32.5 secs Computing kpt #: 143 total cpu time spent up to now is 32.7 secs Computing kpt #: 144 total cpu time spent up to now is 32.9 secs Computing kpt #: 145 total cpu time spent up to now is 33.1 secs Computing kpt #: 146 total cpu time spent up to now is 33.3 secs Computing kpt #: 147 total cpu time spent up to now is 33.6 secs Computing kpt #: 148 total cpu time spent up to now is 33.8 secs Computing kpt #: 149 total cpu time spent up to now is 34.0 secs Computing kpt #: 150 total cpu time spent up to now is 34.2 secs Computing kpt #: 151 total cpu time spent up to now is 34.4 secs Computing kpt #: 152 total cpu time spent up to now is 34.6 secs Computing kpt #: 153 total cpu time spent up to now is 34.9 secs Computing kpt #: 154 total cpu time spent up to now is 35.1 secs Computing kpt #: 155 total cpu time spent up to now is 35.3 secs Computing kpt #: 156 total cpu time spent up to now is 35.6 secs Computing kpt #: 157 total cpu time spent up to now is 35.8 secs Computing kpt #: 158 total cpu time spent up to now is 36.1 secs Computing kpt #: 159 total cpu time spent up to now is 36.4 secs Computing kpt #: 160 total cpu time spent up to now is 36.7 secs Computing kpt #: 161 total cpu time spent up to now is 37.0 secs Computing kpt #: 162 total cpu time spent up to now is 37.3 secs Computing kpt #: 163 total cpu time spent up to now is 37.6 secs Computing kpt #: 164 total cpu time spent up to now is 37.9 secs Computing kpt #: 165 total cpu time spent up to now is 38.1 secs Computing kpt #: 166 total cpu time spent up to now is 38.4 secs Computing kpt #: 167 total cpu time spent up to now is 38.7 secs Computing kpt #: 168 total cpu time spent up to now is 39.0 secs Computing kpt #: 169 total cpu time spent up to now is 39.2 secs Computing kpt #: 170 total cpu time spent up to now is 39.5 secs Computing kpt #: 171 total cpu time spent up to now is 39.7 secs Computing kpt #: 172 total cpu time spent up to now is 39.9 secs Computing kpt #: 173 total cpu time spent up to now is 40.2 secs Computing kpt #: 174 total cpu time spent up to now is 40.4 secs Computing kpt #: 175 total cpu time spent up to now is 40.6 secs Computing kpt #: 176 total cpu time spent up to now is 40.9 secs Computing kpt #: 177 total cpu time spent up to now is 41.1 secs Computing kpt #: 178 total cpu time spent up to now is 41.3 secs Computing kpt #: 179 total cpu time spent up to now is 41.6 secs Computing kpt #: 180 total cpu time spent up to now is 41.8 secs Computing kpt #: 181 total cpu time spent up to now is 42.0 secs Computing kpt #: 182 total cpu time spent up to now is 42.2 secs Computing kpt #: 183 total cpu time spent up to now is 42.4 secs Computing kpt #: 184 total cpu time spent up to now is 42.6 secs Computing kpt #: 185 total cpu time spent up to now is 42.8 secs Computing kpt #: 186 total cpu time spent up to now is 43.0 secs Computing kpt #: 187 total cpu time spent up to now is 43.3 secs Computing kpt #: 188 total cpu time spent up to now is 43.5 secs Computing kpt #: 189 total cpu time spent up to now is 43.7 secs Computing kpt #: 190 total cpu time spent up to now is 43.9 secs Computing kpt #: 191 total cpu time spent up to now is 44.1 secs Computing kpt #: 192 total cpu time spent up to now is 44.3 secs Computing kpt #: 193 total cpu time spent up to now is 44.5 secs Computing kpt #: 194 total cpu time spent up to now is 44.7 secs Computing kpt #: 195 total cpu time spent up to now is 44.9 secs Computing kpt #: 196 total cpu time spent up to now is 45.1 secs Computing kpt #: 197 total cpu time spent up to now is 45.3 secs Computing kpt #: 198 total cpu time spent up to now is 45.5 secs Computing kpt #: 199 total cpu time spent up to now is 45.7 secs Computing kpt #: 200 total cpu time spent up to now is 45.9 secs Computing kpt #: 201 total cpu time spent up to now is 46.1 secs Computing kpt #: 202 total cpu time spent up to now is 46.3 secs Computing kpt #: 203 total cpu time spent up to now is 46.5 secs Computing kpt #: 204 total cpu time spent up to now is 46.7 secs Computing kpt #: 205 total cpu time spent up to now is 46.9 secs Computing kpt #: 206 total cpu time spent up to now is 47.1 secs Computing kpt #: 207 total cpu time spent up to now is 47.3 secs Computing kpt #: 208 total cpu time spent up to now is 47.5 secs Computing kpt #: 209 total cpu time spent up to now is 47.7 secs Computing kpt #: 210 total cpu time spent up to now is 47.9 secs Computing kpt #: 211 total cpu time spent up to now is 48.1 secs Computing kpt #: 212 total cpu time spent up to now is 48.3 secs Computing kpt #: 213 total cpu time spent up to now is 48.6 secs Computing kpt #: 214 total cpu time spent up to now is 48.9 secs Computing kpt #: 215 total cpu time spent up to now is 49.1 secs Computing kpt #: 216 total cpu time spent up to now is 49.4 secs Computing kpt #: 217 total cpu time spent up to now is 49.6 secs Computing kpt #: 218 total cpu time spent up to now is 49.9 secs Computing kpt #: 219 total cpu time spent up to now is 50.2 secs Computing kpt #: 220 total cpu time spent up to now is 50.4 secs Computing kpt #: 221 total cpu time spent up to now is 50.7 secs Computing kpt #: 222 total cpu time spent up to now is 50.9 secs Computing kpt #: 223 total cpu time spent up to now is 51.1 secs Computing kpt #: 224 total cpu time spent up to now is 51.4 secs Computing kpt #: 225 total cpu time spent up to now is 51.6 secs Computing kpt #: 226 total cpu time spent up to now is 51.9 secs Computing kpt #: 227 total cpu time spent up to now is 52.2 secs Computing kpt #: 228 total cpu time spent up to now is 52.4 secs Computing kpt #: 229 total cpu time spent up to now is 52.7 secs Computing kpt #: 230 total cpu time spent up to now is 53.0 secs Computing kpt #: 231 total cpu time spent up to now is 53.2 secs Computing kpt #: 232 total cpu time spent up to now is 53.5 secs Computing kpt #: 233 total cpu time spent up to now is 53.8 secs Computing kpt #: 234 total cpu time spent up to now is 54.2 secs Computing kpt #: 235 total cpu time spent up to now is 54.6 secs Computing kpt #: 236 total cpu time spent up to now is 55.0 secs Computing kpt #: 237 total cpu time spent up to now is 55.4 secs Computing kpt #: 238 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 56.2 secs Computing kpt #: 239 total cpu time spent up to now is 56.7 secs Computing kpt #: 240 total cpu time spent up to now is 57.4 secs Computing kpt #: 241 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 58.2 secs Computing kpt #: 242 total cpu time spent up to now is 58.7 secs Computing kpt #: 243 total cpu time spent up to now is 59.1 secs Computing kpt #: 244 total cpu time spent up to now is 59.4 secs Computing kpt #: 245 total cpu time spent up to now is 59.7 secs Computing kpt #: 246 total cpu time spent up to now is 60.0 secs Computing kpt #: 247 total cpu time spent up to now is 60.3 secs Computing kpt #: 248 total cpu time spent up to now is 60.6 secs Computing kpt #: 249 total cpu time spent up to now is 60.9 secs Computing kpt #: 250 total cpu time spent up to now is 61.1 secs Computing kpt #: 251 total cpu time spent up to now is 61.4 secs Computing kpt #: 252 total cpu time spent up to now is 61.7 secs Computing kpt #: 253 total cpu time spent up to now is 61.9 secs Computing kpt #: 254 total cpu time spent up to now is 62.2 secs Computing kpt #: 255 total cpu time spent up to now is 62.5 secs Computing kpt #: 256 total cpu time spent up to now is 62.8 secs Computing kpt #: 257 total cpu time spent up to now is 63.0 secs Computing kpt #: 258 total cpu time spent up to now is 63.3 secs Computing kpt #: 259 total cpu time spent up to now is 63.6 secs Computing kpt #: 260 total cpu time spent up to now is 63.9 secs Computing kpt #: 261 total cpu time spent up to now is 64.1 secs Computing kpt #: 262 total cpu time spent up to now is 64.4 secs Computing kpt #: 263 total cpu time spent up to now is 64.7 secs Computing kpt #: 264 total cpu time spent up to now is 65.0 secs Computing kpt #: 265 total cpu time spent up to now is 65.2 secs Computing kpt #: 266 total cpu time spent up to now is 65.5 secs Computing kpt #: 267 total cpu time spent up to now is 65.7 secs Computing kpt #: 268 total cpu time spent up to now is 66.0 secs Computing kpt #: 269 total cpu time spent up to now is 66.3 secs Computing kpt #: 270 total cpu time spent up to now is 66.6 secs Computing kpt #: 271 total cpu time spent up to now is 66.8 secs Computing kpt #: 272 total cpu time spent up to now is 67.1 secs Computing kpt #: 273 total cpu time spent up to now is 67.4 secs Computing kpt #: 274 total cpu time spent up to now is 67.6 secs Computing kpt #: 275 total cpu time spent up to now is 67.9 secs Computing kpt #: 276 total cpu time spent up to now is 68.1 secs Computing kpt #: 277 total cpu time spent up to now is 68.4 secs Computing kpt #: 278 total cpu time spent up to now is 68.6 secs Computing kpt #: 279 total cpu time spent up to now is 68.9 secs Computing kpt #: 280 total cpu time spent up to now is 69.2 secs Computing kpt #: 281 total cpu time spent up to now is 69.4 secs Computing kpt #: 282 total cpu time spent up to now is 69.7 secs Computing kpt #: 283 total cpu time spent up to now is 70.0 secs Computing kpt #: 284 total cpu time spent up to now is 70.3 secs Computing kpt #: 285 total cpu time spent up to now is 70.5 secs Computing kpt #: 286 total cpu time spent up to now is 70.8 secs Computing kpt #: 287 total cpu time spent up to now is 71.1 secs Computing kpt #: 288 total cpu time spent up to now is 71.5 secs Computing kpt #: 289 total cpu time spent up to now is 71.9 secs Computing kpt #: 290 total cpu time spent up to now is 72.4 secs Computing kpt #: 291 total cpu time spent up to now is 72.8 secs Computing kpt #: 292 total cpu time spent up to now is 73.1 secs Computing kpt #: 293 total cpu time spent up to now is 73.4 secs Computing kpt #: 294 total cpu time spent up to now is 73.7 secs Computing kpt #: 295 total cpu time spent up to now is 73.9 secs Computing kpt #: 296 total cpu time spent up to now is 74.1 secs Computing kpt #: 297 total cpu time spent up to now is 74.3 secs Computing kpt #: 298 total cpu time spent up to now is 74.6 secs Computing kpt #: 299 total cpu time spent up to now is 74.8 secs Computing kpt #: 300 total cpu time spent up to now is 75.1 secs Computing kpt #: 301 total cpu time spent up to now is 75.3 secs Computing kpt #: 302 total cpu time spent up to now is 75.5 secs Computing kpt #: 303 total cpu time spent up to now is 75.7 secs Computing kpt #: 304 total cpu time spent up to now is 76.0 secs Computing kpt #: 305 total cpu time spent up to now is 76.2 secs Computing kpt #: 306 total cpu time spent up to now is 76.4 secs Computing kpt #: 307 total cpu time spent up to now is 76.6 secs Computing kpt #: 308 total cpu time spent up to now is 76.9 secs Computing kpt #: 309 total cpu time spent up to now is 77.1 secs Computing kpt #: 310 total cpu time spent up to now is 77.3 secs Computing kpt #: 311 total cpu time spent up to now is 77.5 secs Computing kpt #: 312 total cpu time spent up to now is 77.8 secs Computing kpt #: 313 total cpu time spent up to now is 78.0 secs Computing kpt #: 314 total cpu time spent up to now is 78.3 secs Computing kpt #: 315 total cpu time spent up to now is 78.5 secs Computing kpt #: 316 total cpu time spent up to now is 78.8 secs Computing kpt #: 317 total cpu time spent up to now is 79.0 secs Computing kpt #: 318 total cpu time spent up to now is 79.3 secs Computing kpt #: 319 total cpu time spent up to now is 79.5 secs Computing kpt #: 320 total cpu time spent up to now is 79.7 secs Computing kpt #: 321 total cpu time spent up to now is 79.9 secs Computing kpt #: 322 total cpu time spent up to now is 80.2 secs Computing kpt #: 323 total cpu time spent up to now is 80.4 secs Computing kpt #: 324 total cpu time spent up to now is 80.6 secs Computing kpt #: 325 total cpu time spent up to now is 80.8 secs Computing kpt #: 326 total cpu time spent up to now is 81.0 secs Computing kpt #: 327 total cpu time spent up to now is 81.2 secs Computing kpt #: 328 total cpu time spent up to now is 81.4 secs Computing kpt #: 329 total cpu time spent up to now is 81.5 secs Computing kpt #: 330 total cpu time spent up to now is 81.7 secs Computing kpt #: 331 total cpu time spent up to now is 81.9 secs Computing kpt #: 332 total cpu time spent up to now is 82.1 secs Computing kpt #: 333 total cpu time spent up to now is 82.2 secs Computing kpt #: 334 total cpu time spent up to now is 82.4 secs Computing kpt #: 335 total cpu time spent up to now is 82.6 secs Computing kpt #: 336 total cpu time spent up to now is 82.8 secs Computing kpt #: 337 total cpu time spent up to now is 82.9 secs Computing kpt #: 338 total cpu time spent up to now is 83.1 secs Computing kpt #: 339 total cpu time spent up to now is 83.3 secs Computing kpt #: 340 total cpu time spent up to now is 83.5 secs Computing kpt #: 341 total cpu time spent up to now is 83.7 secs Computing kpt #: 342 total cpu time spent up to now is 83.9 secs Computing kpt #: 343 total cpu time spent up to now is 84.1 secs Computing kpt #: 344 total cpu time spent up to now is 84.3 secs Computing kpt #: 345 total cpu time spent up to now is 84.5 secs Computing kpt #: 346 total cpu time spent up to now is 84.7 secs Computing kpt #: 347 total cpu time spent up to now is 84.9 secs Computing kpt #: 348 total cpu time spent up to now is 85.1 secs Computing kpt #: 349 total cpu time spent up to now is 85.3 secs Computing kpt #: 350 total cpu time spent up to now is 85.6 secs Computing kpt #: 351 total cpu time spent up to now is 85.8 secs Computing kpt #: 352 total cpu time spent up to now is 86.0 secs Computing kpt #: 353 total cpu time spent up to now is 86.3 secs Computing kpt #: 354 total cpu time spent up to now is 86.6 secs Computing kpt #: 355 total cpu time spent up to now is 86.9 secs Computing kpt #: 356 total cpu time spent up to now is 87.3 secs Computing kpt #: 357 total cpu time spent up to now is 87.8 secs Computing kpt #: 358 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 88.6 secs ethr = 3.33E-08, avg # of iterations = 18.8 total cpu time spent up to now is 88.6 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2187 PWs) bands (ev): -2.1022 -2.1022 2.3965 2.3965 4.5800 4.5800 6.8705 6.8705 6.9963 6.9963 7.6945 7.6945 8.2754 8.2754 8.2767 8.2767 8.6771 8.6771 8.8235 8.8235 9.4892 9.4892 9.5765 9.5765 10.8226 10.8226 11.0865 11.0865 11.6097 11.6097 13.1797 13.1797 13.4480 13.4480 13.9628 13.9628 14.8241 14.8241 k = 0.0106 0.0061-0.0000 ( 2181 PWs) bands (ev): -2.1008 -2.1008 2.3965 2.3965 4.5816 4.5816 6.8705 6.8705 6.9964 6.9964 7.6942 7.6942 8.2745 8.2745 8.2759 8.2759 8.6768 8.6768 8.8231 8.8231 9.4893 9.4893 9.5766 9.5766 10.8222 10.8222 11.0787 11.0787 11.5979 11.5979 13.1765 13.1765 13.4348 13.4348 13.9942 13.9942 14.8223 14.8223 k = 0.0213 0.0123-0.0000 ( 2173 PWs) bands (ev): -2.0965 -2.0965 2.3964 2.3964 4.5863 4.5863 6.8704 6.8704 6.9965 6.9965 7.6928 7.6928 8.2714 8.2714 8.2740 8.2740 8.6757 8.6757 8.8222 8.8222 9.4893 9.4893 9.5765 9.5765 10.8208 10.8208 11.0553 11.0553 11.5636 11.5636 13.1623 13.1623 13.4105 13.4105 14.0767 14.0767 14.8171 14.8171 k = 0.0319 0.0184-0.0000 ( 2173 PWs) bands (ev): -2.0895 -2.0895 2.3962 2.3962 4.5942 4.5942 6.8701 6.8701 6.9967 6.9967 7.6904 7.6904 8.2660 8.2660 8.2709 8.2709 8.6738 8.6738 8.8208 8.8208 9.4890 9.4890 9.5761 9.5761 10.8186 10.8186 11.0162 11.0162 11.5100 11.5100 13.1290 13.1290 13.4002 13.4002 14.1901 14.1901 14.8085 14.8085 k = 0.0426 0.0246-0.0000 ( 2173 PWs) bands (ev): -2.0796 -2.0796 2.3959 2.3959 4.6053 4.6053 6.8697 6.8697 6.9969 6.9969 7.6869 7.6869 8.2582 8.2582 8.2668 8.2668 8.6710 8.6710 8.8190 8.8190 9.4887 9.4887 9.5757 9.5757 10.8154 10.8154 10.9614 10.9614 11.4416 11.4416 13.0766 13.0766 13.4128 13.4128 14.3205 14.3205 14.7968 14.7968 k = 0.0532 0.0307-0.0000 ( 2169 PWs) bands (ev): -2.0669 -2.0669 2.3955 2.3955 4.6195 4.6195 6.8689 6.8689 6.9972 6.9972 7.6823 7.6823 8.2483 8.2483 8.2616 8.2616 8.6671 8.6671 8.8170 8.8170 9.4883 9.4883 9.5752 9.5752 10.8111 10.8111 10.8911 10.8911 11.3635 11.3635 13.0131 13.0131 13.4432 13.4432 14.4585 14.4585 14.7834 14.7834 k = 0.0638 0.0369-0.0000 ( 2165 PWs) bands (ev): -2.0514 -2.0514 2.3950 2.3950 4.6368 4.6368 6.8677 6.8677 6.9978 6.9978 7.6764 7.6764 8.2361 8.2361 8.2553 8.2553 8.6621 8.6621 8.8152 8.8152 9.4878 9.4878 9.5745 9.5745 10.8012 10.8012 10.8107 10.8107 11.2800 11.2800 12.9449 12.9449 13.4851 13.4851 14.5931 14.5931 14.7743 14.7743 k = 0.0745 0.0430-0.0000 ( 2169 PWs) bands (ev): -2.0330 -2.0330 2.3942 2.3942 4.6573 4.6573 6.8659 6.8659 6.9985 6.9985 7.6690 7.6690 8.2218 8.2218 8.2478 8.2478 8.6554 8.6554 8.8136 8.8136 9.4870 9.4870 9.5736 9.5736 10.7067 10.7067 10.8004 10.8004 11.1947 11.1947 12.8751 12.8751 13.5340 13.5340 14.6784 14.6784 14.8112 14.8112 k = 0.0851 0.0491-0.0000 ( 2171 PWs) bands (ev): -2.0119 -2.0119 2.3932 2.3932 4.6809 4.6809 6.8633 6.8633 6.9995 6.9995 7.6601 7.6601 8.2054 8.2054 8.2395 8.2395 8.6471 8.6471 8.8125 8.8125 9.4862 9.4862 9.5727 9.5727 10.5975 10.5975 10.7928 10.7928 11.1095 11.1095 12.8047 12.8047 13.5873 13.5873 14.6756 14.6756 14.9296 14.9296 k = 0.0957 0.0553-0.0000 ( 2169 PWs) bands (ev): -1.9880 -1.9880 2.3918 2.3918 4.7075 4.7075 6.8596 6.8596 7.0010 7.0010 7.6493 7.6493 8.1870 8.1870 8.2301 8.2301 8.6370 8.6370 8.8121 8.8121 9.4852 9.4852 9.5716 9.5716 10.4804 10.4804 10.7839 10.7839 11.0254 11.0254 12.7341 12.7341 13.6428 13.6428 14.6468 14.6468 15.0642 15.0642 k = 0.1064 0.0614-0.0000 ( 2159 PWs) bands (ev): -1.9613 -1.9613 2.3901 2.3901 4.7373 4.7373 6.8546 6.8546 7.0029 7.0029 7.6364 7.6364 8.1669 8.1669 8.2199 8.2199 8.6252 8.6252 8.8128 8.8128 9.4840 9.4840 9.5704 9.5704 10.3587 10.3587 10.7729 10.7729 10.9433 10.9433 12.6634 12.6634 13.6991 13.6991 14.6089 14.6089 15.1946 15.1946 k = 0.1170 0.0676-0.0000 ( 2163 PWs) bands (ev): -1.9319 -1.9319 2.3878 2.3878 4.7701 4.7701 6.8476 6.8476 7.0052 7.0052 7.6209 7.6209 8.1452 8.1452 8.2088 8.2088 8.6115 8.6115 8.8142 8.8142 9.4826 9.4826 9.5690 9.5690 10.2357 10.2357 10.7576 10.7576 10.8650 10.8650 12.5925 12.5925 13.7547 13.7547 14.5647 14.5647 15.3137 15.3137 k = 0.1277 0.0737-0.0000 ( 2163 PWs) bands (ev): -1.8997 -1.8997 2.3850 2.3850 4.8059 4.8059 6.8383 6.8383 7.0082 7.0082 7.6028 7.6028 8.1223 8.1223 8.1970 8.1970 8.5960 8.5960 8.8164 8.8164 9.4809 9.4809 9.5675 9.5675 10.1138 10.1138 10.7284 10.7284 10.7999 10.7999 12.5213 12.5213 13.8079 13.8079 14.5153 14.5153 15.4148 15.4148 k = 0.1383 0.0798-0.0000 ( 2163 PWs) bands (ev): -1.8647 -1.8647 2.3815 2.3815 4.8448 4.8448 6.8260 6.8260 7.0118 7.0118 7.5817 7.5817 8.0988 8.0988 8.1845 8.1845 8.5788 8.5788 8.8195 8.8195 9.4788 9.4788 9.5657 9.5657 9.9956 9.9956 10.6692 10.6692 10.7641 10.7641 12.4496 12.4496 13.8569 13.8569 14.4621 14.4621 15.4902 15.4902 k = 0.1489 0.0860-0.0000 ( 2159 PWs) bands (ev): -1.8270 -1.8270 2.3771 2.3771 4.8866 4.8866 6.8101 6.8101 7.0161 7.0161 7.5576 7.5576 8.0752 8.0752 8.1714 8.1714 8.5602 8.5602 8.8236 8.8236 9.4759 9.4759 9.5636 9.5636 9.8831 9.8831 10.5937 10.5937 10.7438 10.7438 12.3775 12.3775 13.8986 13.8986 14.4075 14.4075 15.5331 15.5331 k = 0.1596 0.0921-0.0000 ( 2149 PWs) bands (ev): -1.7867 -1.7867 2.3719 2.3719 4.9314 4.9314 6.7895 6.7895 7.0211 7.0211 7.5309 7.5309 8.0520 8.0520 8.1579 8.1579 8.5403 8.5403 8.8284 8.8284 9.4719 9.4719 9.5607 9.5607 9.7788 9.7788 10.5144 10.5144 10.7263 10.7263 12.3049 12.3049 13.9280 13.9280 14.3564 14.3564 15.5415 15.5415 k = 0.1702 0.0983-0.0000 ( 2149 PWs) bands (ev): -1.7436 -1.7436 2.3656 2.3656 4.9790 4.9790 6.7634 6.7634 7.0267 7.0267 7.5018 7.5018 8.0297 8.0297 8.1438 8.1438 8.5192 8.5192 8.8337 8.8337 9.4649 9.4649 9.5559 9.5559 9.6863 9.6863 10.4344 10.4344 10.7086 10.7086 12.2316 12.2316 13.9368 13.9368 14.3168 14.3168 15.5199 15.5199 k = 0.1809 0.1044-0.0000 ( 2145 PWs) bands (ev): -1.6979 -1.6979 2.3581 2.3581 5.0296 5.0296 6.7306 6.7306 7.0329 7.0329 7.4716 7.4716 8.0090 8.0090 8.1295 8.1295 8.4971 8.4971 8.8396 8.8396 9.4506 9.4506 9.5442 9.5442 9.6153 9.6153 10.3544 10.3544 10.6899 10.6899 12.1578 12.1578 13.9164 13.9164 14.2977 14.2977 15.4764 15.4764 k = 0.1915 0.1106-0.0000 ( 2141 PWs) bands (ev): -1.6496 -1.6496 2.3492 2.3492 5.0829 5.0829 6.6901 6.6901 7.0398 7.0398 7.4414 7.4414 7.9899 7.9899 8.1150 8.1150 8.4742 8.4742 8.8460 8.8460 9.4182 9.4182 9.5208 9.5208 9.5820 9.5820 10.2750 10.2750 10.6697 10.6697 12.0835 12.0835 13.8653 13.8653 14.3008 14.3008 15.4188 15.4188 k = 0.2021 0.1167-0.0000 ( 2137 PWs) bands (ev): -1.5986 -1.5986 2.3388 2.3388 5.1389 5.1389 6.6409 6.6409 7.0471 7.0471 7.4128 7.4128 7.9726 7.9726 8.1003 8.1003 8.4506 8.4506 8.8528 8.8528 9.3649 9.3649 9.5029 9.5029 9.5717 9.5717 10.1964 10.1964 10.6477 10.6477 12.0086 12.0086 13.7911 13.7911 14.3195 14.3195 15.3529 15.3529 k = 0.2128 0.1228-0.0000 ( 2141 PWs) bands (ev): -1.5451 -1.5451 2.3266 2.3266 5.1977 5.1977 6.5829 6.5829 7.0550 7.0550 7.3869 7.3869 7.9570 7.9570 8.0856 8.0856 8.4264 8.4264 8.8601 8.8601 9.3046 9.3046 9.4938 9.4938 9.5671 9.5671 10.1186 10.1186 10.6237 10.6237 11.9332 11.9332 13.7019 13.7019 14.3462 14.3462 15.2827 15.2827 k = 0.2234 0.1290-0.0000 ( 2145 PWs) bands (ev): -1.4891 -1.4891 2.3125 2.3125 5.2589 5.2589 6.5160 6.5160 7.0633 7.0633 7.3648 7.3648 7.9429 7.9429 8.0711 8.0711 8.4016 8.4016 8.8676 8.8676 9.2458 9.2458 9.4886 9.4886 9.5642 9.5642 10.0421 10.0421 10.5974 10.5974 11.8575 11.8575 13.6034 13.6034 14.3762 14.3762 15.2110 15.2110 k = 0.2340 0.1351-0.0000 ( 2145 PWs) bands (ev): -1.4306 -1.4306 2.2963 2.2963 5.3227 5.3227 6.4412 6.4412 7.0722 7.0722 7.3470 7.3470 7.9304 7.9304 8.0569 8.0569 8.3767 8.3767 8.8753 8.8753 9.1912 9.1912 9.4850 9.4850 9.5617 9.5617 9.9669 9.9669 10.5686 10.5686 11.7815 11.7815 13.4993 13.4993 14.4070 14.4070 15.1395 15.1395 k = 0.2447 0.1413-0.0000 ( 2147 PWs) bands (ev): -1.3696 -1.3696 2.2778 2.2778 5.3886 5.3886 6.3597 6.3597 7.0815 7.0815 7.3337 7.3337 7.9189 7.9189 8.0430 8.0430 8.3514 8.3514 8.8833 8.8833 9.1414 9.1414 9.4821 9.4821 9.5593 9.5593 9.8933 9.8933 10.5371 10.5371 11.7055 11.7055 13.3919 13.3919 14.4372 14.4372 15.0694 15.0694 k = 0.2553 0.1474-0.0000 ( 2151 PWs) bands (ev): -1.3062 -1.3062 2.2567 2.2567 5.4566 5.4566 6.2730 6.2730 7.0912 7.0912 7.3245 7.3245 7.9084 7.9084 8.0297 8.0297 8.3261 8.3261 8.8914 8.8914 9.0962 9.0962 9.4796 9.4796 9.5566 9.5566 9.8215 9.8215 10.5025 10.5025 11.6294 11.6294 13.2830 13.2830 14.4659 14.4659 15.0017 15.0017 k = 0.2660 0.1536-0.0000 ( 2147 PWs) bands (ev): -1.2404 -1.2404 2.2328 2.2328 5.5260 5.5260 6.1833 6.1833 7.1014 7.1014 7.3193 7.3193 7.8986 7.8986 8.0171 8.0171 8.3007 8.3007 8.8997 8.8997 9.0554 9.0554 9.4775 9.4775 9.5530 9.5530 9.7524 9.7524 10.4648 10.4648 11.5537 11.5537 13.1742 13.1742 14.4928 14.4928 14.9370 14.9370 k = 0.2766 0.1597-0.0000 ( 2147 PWs) bands (ev): -1.1724 -1.1724 2.2060 2.2060 5.5958 5.5958 6.0930 6.0930 7.1119 7.1119 7.3174 7.3174 7.8892 7.8892 8.0053 8.0053 8.2754 8.2754 8.9078 8.9078 9.0185 9.0185 9.4755 9.4755 9.5473 9.5473 9.6872 9.6872 10.4235 10.4235 11.4784 11.4784 13.0667 13.0667 14.5174 14.5174 14.8759 14.8759 k = 0.2872 0.1658-0.0000 ( 2143 PWs) bands (ev): -1.1021 -1.1021 2.1760 2.1760 5.6630 5.6630 6.0065 6.0065 7.1228 7.1228 7.3186 7.3186 7.8799 7.8799 7.9945 7.9945 8.2503 8.2503 8.9159 8.9159 8.9852 8.9852 9.4736 9.4736 9.5349 9.5349 9.6305 9.6305 10.3785 10.3785 11.4038 11.4038 12.9616 12.9616 14.5392 14.5392 14.8191 14.8191 k = 0.2979 0.1720-0.0000 ( 2135 PWs) bands (ev): -1.0297 -1.0297 2.1426 2.1426 5.7164 5.7164 5.9360 5.9360 7.1340 7.1340 7.3224 7.3224 7.8707 7.8707 7.9848 7.9848 8.2254 8.2254 8.9236 8.9236 8.9552 8.9552 9.4713 9.4713 9.5056 9.5056 9.5931 9.5931 10.3299 10.3299 11.3302 11.3302 12.8598 12.8598 14.5573 14.5573 14.7676 14.7676 k = 0.3085 0.1781-0.0000 ( 2131 PWs) bands (ev): -0.9552 -0.9552 2.1056 2.1056 5.7194 5.7194 5.9191 5.9191 7.1456 7.1456 7.3284 7.3284 7.8613 7.8613 7.9763 7.9763 8.2006 8.2006 8.9226 8.9226 8.9364 8.9364 9.4526 9.4526 9.4732 9.4732 9.5771 9.5771 10.2771 10.2771 11.2579 11.2579 12.7621 12.7621 14.5695 14.5695 14.7236 14.7236 k = 0.3191 0.1843-0.0000 ( 2127 PWs) bands (ev): -0.8787 -0.8787 2.0650 2.0650 5.6617 5.6617 5.9671 5.9671 7.1574 7.1574 7.3363 7.3363 7.8515 7.8515 7.9690 7.9690 8.1763 8.1763 8.8994 8.8994 8.9418 8.9418 9.3977 9.3977 9.4700 9.4700 9.5705 9.5705 10.2205 10.2205 11.1871 11.1871 12.6694 12.6694 14.5713 14.5713 14.6920 14.6920 k = 0.3298 0.1904-0.0000 ( 2127 PWs) bands (ev): -0.8004 -0.8004 2.0205 2.0205 5.5844 5.5844 6.0396 6.0396 7.1694 7.1694 7.3459 7.3459 7.8412 7.8412 7.9629 7.9629 8.1524 8.1524 8.8760 8.8760 8.9492 8.9492 9.3402 9.3402 9.4683 9.4683 9.5670 9.5670 10.1600 10.1600 11.1182 11.1182 12.5820 12.5820 14.5573 14.5573 14.6780 14.6780 k = 0.3404 0.1965-0.0000 ( 2127 PWs) bands (ev): -0.7203 -0.7203 1.9721 1.9721 5.5042 5.5042 6.1201 6.1201 7.1816 7.1816 7.3569 7.3569 7.8303 7.8303 7.9579 7.9579 8.1290 8.1290 8.8541 8.8541 8.9564 8.9564 9.2836 9.2836 9.4668 9.4668 9.5648 9.5648 10.0958 10.0958 11.0514 11.0514 12.5005 12.5005 14.5308 14.5308 14.6783 14.6783 k = 0.3511 0.2027-0.0000 ( 2126 PWs) bands (ev): -0.6386 -0.6386 1.9199 1.9199 5.4260 5.4260 6.2044 6.2044 7.1937 7.1937 7.3692 7.3692 7.8188 7.8188 7.9540 7.9540 8.1064 8.1064 8.8335 8.8335 8.9634 8.9634 9.2286 9.2286 9.4654 9.4654 9.5633 9.5633 10.0285 10.0285 10.9871 10.9871 12.4251 12.4251 14.4996 14.4996 14.6853 14.6853 k = 0.3617 0.2088-0.0000 ( 2134 PWs) bands (ev): -0.5555 -0.5555 1.8638 1.8638 5.3514 5.3514 6.2911 6.2911 7.2056 7.2056 7.3826 7.3826 7.8066 7.8066 7.9505 7.9505 8.0848 8.0848 8.8143 8.8143 8.9697 8.9697 9.1758 9.1758 9.4640 9.4640 9.5622 9.5622 9.9584 9.9584 10.9256 10.9256 12.3560 12.3560 14.4681 14.4681 14.6945 14.6945 k = 0.3723 0.2150-0.0000 ( 2130 PWs) bands (ev): -0.4712 -0.4712 1.8041 1.8041 5.2814 5.2814 6.3792 6.3792 7.2173 7.2173 7.3969 7.3969 7.7936 7.7936 7.9471 7.9471 8.0648 8.0648 8.7963 8.7963 8.9758 8.9758 9.1256 9.1256 9.4628 9.4628 9.5614 9.5614 9.8864 9.8864 10.8673 10.8673 12.2932 12.2932 14.4381 14.4381 14.7040 14.7040 k = 0.3830 0.2211-0.0000 ( 2130 PWs) bands (ev): -0.3858 -0.3858 1.7408 1.7408 5.2165 5.2165 6.4683 6.4683 7.2285 7.2285 7.4119 7.4119 7.7796 7.7796 7.9427 7.9427 8.0473 8.0473 8.7792 8.7792 8.9815 8.9815 9.0780 9.0780 9.4615 9.4615 9.5607 9.5607 9.8131 9.8131 10.8124 10.8124 12.2367 12.2367 14.4103 14.4103 14.7132 14.7132 k = 0.3936 0.2273-0.0000 ( 2130 PWs) bands (ev): -0.2998 -0.2998 1.6745 1.6745 5.1570 5.1570 6.5577 6.5577 7.2391 7.2391 7.4274 7.4274 7.7647 7.7647 7.9359 7.9359 8.0335 8.0335 8.7631 8.7631 8.9859 8.9859 9.0341 9.0341 9.4600 9.4600 9.5601 9.5601 9.7400 9.7400 10.7612 10.7612 12.1863 12.1863 14.3849 14.3849 14.7218 14.7218 k = 0.4043 0.2334-0.0000 ( 2138 PWs) bands (ev): -0.2135 -0.2135 1.6054 1.6054 5.1031 5.1031 6.6472 6.6472 7.2490 7.2490 7.4432 7.4432 7.7487 7.7487 7.9254 7.9254 8.0244 8.0244 8.7478 8.7478 8.9822 8.9822 9.0008 9.0008 9.4584 9.4584 9.5595 9.5595 9.6679 9.6679 10.7140 10.7140 12.1418 12.1418 14.3620 14.3620 14.7296 14.7296 k = 0.4149 0.2395-0.0000 ( 2136 PWs) bands (ev): -0.1273 -0.1273 1.5342 1.5342 5.0550 5.0550 6.7360 6.7360 7.2580 7.2580 7.4586 7.4586 7.7317 7.7317 7.9108 7.9108 8.0203 8.0203 8.7334 8.7334 8.9505 8.9505 8.9984 8.9984 9.4566 9.4566 9.5591 9.5591 9.5986 9.5986 10.6711 10.6711 12.1028 12.1028 14.3418 14.3418 14.7365 14.7365 k = 0.4255 0.2457-0.0000 ( 2134 PWs) bands (ev): -0.0420 -0.0420 1.4617 1.4617 5.0127 5.0127 6.8237 6.8237 7.2662 7.2662 7.4729 7.4729 7.7139 7.7139 7.8930 7.8930 8.0203 8.0203 8.7198 8.7198 8.9170 8.9170 9.0011 9.0011 9.4529 9.4529 9.5345 9.5345 9.5590 9.5590 10.6326 10.6326 12.0693 12.0693 14.3240 14.3240 14.7426 14.7426 k = 0.4362 0.2518-0.0000 ( 2130 PWs) bands (ev): 0.0415 0.0415 1.3889 1.3889 4.9762 4.9762 6.9095 6.9095 7.2734 7.2734 7.4847 7.4847 7.6960 7.6960 7.8730 7.8730 8.0230 8.0230 8.7070 8.7070 8.8871 8.8871 9.0036 9.0036 9.4399 9.4399 9.4851 9.4851 9.5587 9.5587 10.5989 10.5989 12.0408 12.0408 14.3087 14.3087 14.7479 14.7479 k = 0.4468 0.2580-0.0000 ( 2130 PWs) bands (ev): 0.1219 0.1219 1.3172 1.3172 4.9455 4.9455 6.9926 6.9926 7.2797 7.2797 7.4915 7.4915 7.6794 7.6794 7.8519 7.8519 8.0272 8.0272 8.6951 8.6951 8.8615 8.8615 9.0055 9.0055 9.4020 9.4020 9.4672 9.4672 9.5585 9.5585 10.5701 10.5701 12.0172 12.0172 14.2959 14.2959 14.7523 14.7523 k = 0.4574 0.2641-0.0000 ( 2136 PWs) bands (ev): 0.1973 0.1973 1.2488 1.2488 4.9204 4.9204 7.0720 7.0720 7.2854 7.2854 7.4900 7.4900 7.6667 7.6667 7.8309 7.8309 8.0320 8.0320 8.6843 8.6843 8.8403 8.8403 9.0068 9.0068 9.3585 9.3585 9.4629 9.4629 9.5582 9.5582 10.5462 10.5462 11.9982 11.9982 14.2855 14.2855 14.7559 14.7559 k = 0.4681 0.2702-0.0000 ( 2140 PWs) bands (ev): 0.2647 0.2647 1.1867 1.1867 4.9010 4.9010 7.1461 7.1461 7.2910 7.2910 7.4766 7.4766 7.6605 7.6605 7.8110 7.8110 8.0366 8.0366 8.6751 8.6751 8.8240 8.8240 9.0074 9.0074 9.3217 9.3217 9.4611 9.4611 9.5580 9.5580 10.5275 10.5275 11.9837 11.9837 14.2774 14.2774 14.7587 14.7587 k = 0.4787 0.2764-0.0000 ( 2132 PWs) bands (ev): 0.3197 0.3197 1.1354 1.1354 4.8871 4.8871 7.2112 7.2112 7.2991 7.2991 7.4501 7.4501 7.6605 7.6605 7.7938 7.7938 8.0404 8.0404 8.6682 8.6682 8.8125 8.8125 9.0075 9.0075 9.2946 9.2946 9.4603 9.4603 9.5580 9.5580 10.5142 10.5142 11.9734 11.9734 14.2717 14.2717 14.7607 14.7607 k = 0.4894 0.2825-0.0000 ( 2134 PWs) bands (ev): 0.3567 0.3567 1.1006 1.1006 4.8789 4.8789 7.2551 7.2551 7.3195 7.3195 7.4131 7.4131 7.6635 7.6635 7.7815 7.7815 8.0429 8.0429 8.6636 8.6636 8.8055 8.8055 9.0075 9.0075 9.2779 9.2779 9.4598 9.4598 9.5579 9.5579 10.5061 10.5061 11.9673 11.9673 14.2683 14.2683 14.7619 14.7619 k = 0.5000 0.2887-0.0000 ( 2130 PWs) bands (ev): 0.3698 0.3698 1.0882 1.0882 4.8762 4.8762 7.2671 7.2671 7.3489 7.3489 7.3809 7.3809 7.6652 7.6652 7.7770 7.7770 8.0438 8.0438 8.6621 8.6621 8.8032 8.8032 9.0074 9.0074 9.2723 9.2723 9.4597 9.4597 9.5579 9.5579 10.5035 10.5035 11.9653 11.9653 14.2672 14.2672 14.7623 14.7623 k = 0.5000 0.2887-0.0000 ( 2130 PWs) bands (ev): 0.3698 0.3698 1.0882 1.0882 4.8762 4.8762 7.2671 7.2671 7.3489 7.3489 7.3809 7.3809 7.6652 7.6652 7.7770 7.7770 8.0438 8.0438 8.6621 8.6621 8.8032 8.8032 9.0074 9.0074 9.2723 9.2723 9.4597 9.4597 9.5579 9.5579 10.5035 10.5035 11.9653 11.9653 14.2672 14.2672 14.7623 14.7623 k = 0.4938 0.2994-0.0000 ( 2134 PWs) bands (ev): 0.3708 0.3708 1.0889 1.0889 4.8752 4.8752 7.2577 7.2577 7.3461 7.3461 7.3860 7.3860 7.6563 7.6563 7.7806 7.7806 8.0486 8.0486 8.6647 8.6647 8.8045 8.8045 9.0094 9.0094 9.2723 9.2723 9.4597 9.4597 9.5579 9.5579 10.5072 10.5072 11.9631 11.9631 14.2735 14.2735 14.7340 14.7340 k = 0.4877 0.3101-0.0000 ( 2138 PWs) bands (ev): 0.3739 0.3739 1.0912 1.0912 4.8722 4.8722 7.2327 7.2327 7.3442 7.3442 7.3902 7.3902 7.6344 7.6344 7.7913 7.7913 8.0613 8.0613 8.6721 8.6721 8.8083 8.8083 9.0150 9.0150 9.2721 9.2721 9.4598 9.4598 9.5579 9.5579 10.5184 10.5184 11.9566 11.9566 14.2924 14.2924 14.6556 14.6556 k = 0.4815 0.3208-0.0000 ( 2138 PWs) bands (ev): 0.3790 0.3790 1.0949 1.0949 4.8670 4.8670 7.1979 7.1979 7.3461 7.3461 7.3799 7.3799 7.6101 7.6101 7.8092 7.8092 8.0777 8.0777 8.6830 8.6830 8.8152 8.8152 9.0244 9.0244 9.2719 9.2719 9.4600 9.4600 9.5578 9.5578 10.5367 10.5367 11.9457 11.9457 14.3223 14.3223 14.5423 14.5423 k = 0.4753 0.3314-0.0000 ( 2140 PWs) bands (ev): 0.3862 0.3862 1.1001 1.1001 4.8597 4.8597 7.1572 7.1572 7.3443 7.3443 7.3541 7.3541 7.5933 7.5933 7.8342 7.8342 8.0945 8.0945 8.6952 8.6952 8.8251 8.8251 9.0375 9.0375 9.2716 9.2716 9.4603 9.4603 9.5578 9.5578 10.5617 10.5617 11.9301 11.9301 14.3449 14.3449 14.4261 14.4261 k = 0.4691 0.3421-0.0000 ( 2140 PWs) bands (ev): 0.3954 0.3954 1.1066 1.1066 4.8499 4.8499 7.1124 7.1124 7.2941 7.2941 7.3593 7.3593 7.5857 7.5857 7.8656 7.8656 8.1102 8.1102 8.7072 8.7072 8.8379 8.8379 9.0542 9.0542 9.2713 9.2713 9.4606 9.4606 9.5577 9.5577 10.5925 10.5925 11.9098 11.9098 14.2336 14.2336 14.4429 14.4429 k = 0.4630 0.3528-0.0000 ( 2142 PWs) bands (ev): 0.4066 0.4066 1.1144 1.1144 4.8375 4.8375 7.0636 7.0636 7.2302 7.2302 7.3687 7.3687 7.5837 7.5837 7.9024 7.9024 8.1240 8.1240 8.7177 8.7177 8.8532 8.8532 9.0743 9.0743 9.2712 9.2712 9.4610 9.4610 9.5575 9.5575 10.6284 10.6284 11.8845 11.8845 14.0760 14.0760 14.5114 14.5114 k = 0.4568 0.3635-0.0000 ( 2138 PWs) bands (ev): 0.4198 0.4198 1.1233 1.1233 4.8220 4.8220 7.0102 7.0102 7.1628 7.1628 7.3800 7.3800 7.5839 7.5839 7.9432 7.9432 8.1363 8.1363 8.7266 8.7266 8.8701 8.8701 9.0976 9.0976 9.2713 9.2713 9.4615 9.4615 9.5574 9.5574 10.6684 10.6684 11.8538 11.8538 13.9117 13.9117 14.5957 14.5957 k = 0.4506 0.3742-0.0000 ( 2138 PWs) bands (ev): 0.4350 0.4350 1.1332 1.1332 4.8032 4.8032 6.9510 6.9510 7.0979 7.0979 7.3929 7.3929 7.5847 7.5847 7.9867 7.9867 8.1477 8.1477 8.7339 8.7339 8.8872 8.8872 9.1236 9.1236 9.2719 9.2719 9.4619 9.4619 9.5572 9.5572 10.7116 10.7116 11.8175 11.8175 13.7453 13.7453 14.6935 14.6935 k = 0.4444 0.3849-0.0000 ( 2142 PWs) bands (ev): 0.4521 0.4521 1.1439 1.1439 4.7809 4.7809 6.8862 6.8862 7.0389 7.0389 7.4075 7.4075 7.5856 7.5856 8.0312 8.0312 8.1591 8.1591 8.7401 8.7401 8.9036 8.9036 9.1517 9.1517 9.2737 9.2737 9.4624 9.4624 9.5567 9.5567 10.7569 10.7569 11.7753 11.7753 13.5791 13.5791 14.7966 14.7966 k = 0.4383 0.3956-0.0000 ( 2134 PWs) bands (ev): 0.4712 0.4712 1.1553 1.1553 4.7546 4.7546 6.8178 6.8178 6.9863 6.9863 7.4234 7.4234 7.5863 7.5863 8.0737 8.0737 8.1731 8.1731 8.7455 8.7455 8.9188 8.9188 9.1803 9.1803 9.2781 9.2781 9.4631 9.4631 9.5565 9.5565 10.8036 10.8036 11.7269 11.7269 13.4144 13.4144 14.6666 14.6666 k = 0.4321 0.4063-0.0000 ( 2134 PWs) bands (ev): 0.4923 0.4923 1.1670 1.1670 4.7242 4.7242 6.7489 6.7489 6.9389 6.9389 7.4405 7.4405 7.5869 7.5869 8.1094 8.1094 8.1942 8.1942 8.7503 8.7503 8.9322 8.9322 9.2059 9.2059 9.2884 9.2884 9.4638 9.4638 9.5562 9.5562 10.8508 10.8508 11.6720 11.6720 13.2522 13.2522 14.5335 14.5335 k = 0.4259 0.4170-0.0000 ( 2136 PWs) bands (ev): 0.5152 0.5152 1.1787 1.1787 4.6896 4.6896 6.6824 6.6824 6.8952 6.8952 7.4587 7.4587 7.5877 7.5877 8.1329 8.1329 8.2272 8.2272 8.7547 8.7547 8.9436 8.9436 9.2237 9.2237 9.3094 9.3094 9.4647 9.4647 9.5558 9.5558 10.8978 10.8978 11.6107 11.6107 13.0933 13.0933 14.4102 14.4102 k = 0.4198 0.4277-0.0000 ( 2132 PWs) bands (ev): 0.5400 0.5400 1.1903 1.1903 4.6509 4.6509 6.6204 6.6204 6.8543 6.8543 7.4777 7.4777 7.5886 7.5886 8.1464 8.1464 8.2700 8.2700 8.7590 8.7590 8.9531 8.9531 9.2327 9.2327 9.3418 9.3418 9.4659 9.4659 9.5554 9.5554 10.9440 10.9440 11.5430 11.5430 12.9383 12.9383 14.2970 14.2970 k = 0.4136 0.4384-0.0000 ( 2124 PWs) bands (ev): 0.5667 0.5667 1.2013 1.2013 4.6082 4.6082 6.5643 6.5643 6.8159 6.8159 7.4973 7.4973 7.5900 7.5900 8.1547 8.1547 8.3172 8.3172 8.7632 8.7632 8.9607 8.9607 9.2364 9.2364 9.3813 9.3813 9.4680 9.4680 9.5552 9.5552 10.9888 10.9888 11.4694 11.4694 12.7878 12.7878 14.1942 14.1942 k = 0.4074 0.4491-0.0000 ( 2128 PWs) bands (ev): 0.5951 0.5951 1.2112 1.2112 4.5621 4.5621 6.5148 6.5148 6.7793 6.7793 7.5171 7.5171 7.5919 7.5919 8.1604 8.1604 8.3659 8.3659 8.7671 8.7671 8.9664 8.9664 9.2374 9.2374 9.4226 9.4226 9.4732 9.4732 9.5554 9.5554 11.0315 11.0315 11.3904 11.3904 12.6424 12.6424 14.1016 14.1016 k = 0.4012 0.4597-0.0000 ( 2132 PWs) bands (ev): 0.6253 0.6253 1.2196 1.2196 4.5134 4.5134 6.4725 6.4725 6.7445 6.7445 7.5366 7.5366 7.5947 7.5947 8.1648 8.1648 8.4145 8.4145 8.7710 8.7710 8.9705 8.9705 9.2373 9.2373 9.4511 9.4511 9.4937 9.4937 9.5570 9.5570 11.0706 11.0706 11.3083 11.3083 12.5025 12.5025 14.0193 14.0193 k = 0.3951 0.4704-0.0000 ( 2136 PWs) bands (ev): 0.6572 0.6572 1.2261 1.2261 4.4628 4.4628 6.4372 6.4372 6.7114 6.7114 7.5552 7.5552 7.5989 7.5989 8.1684 8.1684 8.4622 8.4622 8.7749 8.7749 8.9730 8.9730 9.2364 9.2364 9.4591 9.4591 9.5298 9.5298 9.5668 9.5668 11.0985 11.0985 11.2309 11.2309 12.3687 12.3687 13.9467 13.9467 k = 0.3889 0.4811-0.0000 ( 2140 PWs) bands (ev): 0.6908 0.6908 1.2300 1.2300 4.4115 4.4115 6.4088 6.4088 6.6802 6.6802 7.5715 7.5715 7.6055 7.6055 8.1714 8.1714 8.5084 8.5084 8.7786 8.7786 8.9743 8.9743 9.2353 9.2353 9.4617 9.4617 9.5441 9.5441 9.6070 9.6070 11.0770 11.0770 11.1974 11.1974 12.2417 12.2417 13.8836 13.8836 k = 0.3827 0.4918-0.0000 ( 2140 PWs) bands (ev): 0.7260 0.7260 1.2307 1.2307 4.3608 4.3608 6.3872 6.3872 6.6507 6.6507 7.5842 7.5842 7.6157 7.6157 8.1739 8.1739 8.5523 8.5523 8.7819 8.7819 8.9743 8.9743 9.2341 9.2341 9.4629 9.4629 9.5464 9.5464 9.6633 9.6633 10.9966 10.9966 11.2185 11.2185 12.1219 12.1219 13.8293 13.8293 k = 0.3765 0.5025-0.0000 ( 2132 PWs) bands (ev): 0.7627 0.7627 1.2278 1.2278 4.3119 4.3119 6.3715 6.3715 6.6232 6.6232 7.5933 7.5933 7.6290 7.6290 8.1762 8.1762 8.5936 8.5936 8.7851 8.7851 8.9735 8.9735 9.2327 9.2327 9.4638 9.4638 9.5469 9.5469 9.7247 9.7247 10.9011 10.9011 11.2514 11.2514 12.0101 12.0101 13.7834 13.7834 k = 0.3704 0.5132-0.0000 ( 2128 PWs) bands (ev): 0.8009 0.8009 1.2205 1.2205 4.2661 4.2661 6.3611 6.3611 6.5976 6.5976 7.6005 7.6005 7.6429 7.6429 8.1781 8.1781 8.6318 8.6318 8.7878 8.7878 8.9718 8.9718 9.2315 9.2315 9.4644 9.4644 9.5469 9.5469 9.7893 9.7893 10.8017 10.8017 11.2859 11.2859 11.9069 11.9069 13.7452 13.7452 k = 0.3642 0.5239-0.0000 ( 2128 PWs) bands (ev): 0.8406 0.8406 1.2082 1.2082 4.2248 4.2248 6.3554 6.3554 6.5742 6.5742 7.6073 7.6073 7.6558 7.6558 8.1797 8.1797 8.6663 8.6663 8.7897 8.7897 8.9695 8.9695 9.2304 9.2304 9.4648 9.4648 9.5467 9.5467 9.8566 9.8566 10.7015 10.7015 11.3205 11.3205 11.8131 11.8131 13.7141 13.7141 k = 0.3580 0.5346-0.0000 ( 2128 PWs) bands (ev): 0.8816 0.8816 1.1905 1.1905 4.1891 4.1891 6.3534 6.3534 6.5534 6.5534 7.6141 7.6141 7.6665 7.6665 8.1811 8.1811 8.6968 8.6968 8.7907 8.7907 8.9668 8.9668 9.2295 9.2295 9.4651 9.4651 9.5464 9.5464 9.9262 9.9262 10.6023 10.6023 11.3545 11.3545 11.7294 11.7294 13.6896 13.6896 k = 0.3519 0.5453-0.0000 ( 2124 PWs) bands (ev): 0.9239 0.9239 1.1668 1.1668 4.1601 4.1601 6.3541 6.3541 6.5358 6.5358 7.6212 7.6212 7.6742 7.6742 8.1822 8.1822 8.7228 8.7228 8.7904 8.7904 8.9639 8.9639 9.2288 9.2288 9.4653 9.4653 9.5463 9.5463 9.9978 9.9978 10.5057 10.5057 11.3877 11.3877 11.6567 11.6567 13.6712 13.6712 k = 0.3457 0.5560-0.0000 ( 2124 PWs) bands (ev): 0.9674 0.9674 1.1369 1.1369 4.1386 4.1386 6.3564 6.3564 6.5220 6.5220 7.6282 7.6282 7.6786 7.6786 8.1830 8.1830 8.7440 8.7440 8.7885 8.7885 8.9612 8.9612 9.2285 9.2285 9.4655 9.4655 9.5461 9.5461 10.0708 10.0708 10.4134 10.4134 11.4192 11.4192 11.5963 11.5963 13.6585 13.6585 k = 0.3395 0.5667-0.0000 ( 2116 PWs) bands (ev): 1.0120 1.0120 1.1006 1.1006 4.1254 4.1254 6.3588 6.3588 6.5130 6.5130 7.6344 7.6344 7.6797 7.6797 8.1836 8.1836 8.7597 8.7597 8.7850 8.7850 8.9592 8.9592 9.2283 9.2283 9.4656 9.4656 9.5461 9.5461 10.1424 10.1424 10.3294 10.3294 11.4466 11.4466 11.5515 11.5515 13.6511 13.6511 k = 0.3333 0.5774-0.0000 ( 2112 PWs) bands (ev): 1.0564 1.0564 1.0590 1.0590 4.1209 4.1209 6.3598 6.3598 6.5099 6.5099 7.6374 7.6374 7.6793 7.6793 8.1838 8.1838 8.7668 8.7668 8.7821 8.7821 8.9584 8.9584 9.2283 9.2283 9.4656 9.4656 9.5460 9.5460 10.1881 10.1881 10.2794 10.2794 11.4593 11.4593 11.5329 11.5329 13.6487 13.6487 k = 0.3333 0.5774-0.0000 ( 2112 PWs) bands (ev): 1.0564 1.0564 1.0590 1.0590 4.1209 4.1209 6.3598 6.3598 6.5099 6.5099 7.6374 7.6374 7.6793 7.6793 8.1838 8.1838 8.7668 8.7668 8.7821 8.7821 8.9584 8.9584 9.2283 9.2283 9.4656 9.4656 9.5460 9.5460 10.1881 10.1881 10.2794 10.2794 11.4593 11.4593 11.5329 11.5329 13.6487 13.6487 k = 0.3272 0.5667-0.0000 ( 2122 PWs) bands (ev): 1.0084 1.0084 1.1042 1.1042 4.1255 4.1255 6.3586 6.3586 6.5131 6.5131 7.6326 7.6326 7.6812 7.6812 8.1835 8.1835 8.7599 8.7599 8.7846 8.7846 8.9593 8.9593 9.2282 9.2282 9.4656 9.4656 9.5461 9.5461 10.1447 10.1447 10.3275 10.3275 11.4505 11.4505 11.5476 11.5476 13.6511 13.6511 k = 0.3210 0.5560-0.0000 ( 2122 PWs) bands (ev): 0.9530 0.9530 1.1516 1.1516 4.1391 4.1391 6.3550 6.3550 6.5224 6.5224 7.6173 7.6173 7.6880 7.6880 8.1830 8.1830 8.7445 8.7445 8.7870 8.7870 8.9626 8.9626 9.2278 9.2278 9.4655 9.4655 9.5462 9.5462 10.0816 10.0816 10.4054 10.4054 11.4394 11.4394 11.5765 11.5765 13.6579 13.6579 k = 0.3148 0.5453-0.0000 ( 2122 PWs) bands (ev): 0.8918 0.8918 1.1997 1.1997 4.1617 4.1617 6.3498 6.3498 6.5370 6.5370 7.5922 7.5922 7.6982 7.6982 8.1820 8.1820 8.7233 8.7233 8.7869 8.7869 8.9683 8.9683 9.2268 9.2268 9.4655 9.4655 9.5464 9.5464 10.0240 10.0240 10.4890 10.4890 11.4358 11.4358 11.6095 11.6095 13.6691 13.6691 k = 0.3086 0.5346-0.0000 ( 2124 PWs) bands (ev): 0.8253 0.8253 1.2483 1.2483 4.1930 4.1930 6.3438 6.3438 6.5557 6.5557 7.5586 7.5586 7.7106 7.7106 8.1804 8.1804 8.6967 8.6967 8.7846 8.7846 8.9762 8.9762 9.2244 9.2244 9.4655 9.4655 9.5466 9.5466 9.9753 9.9753 10.5754 10.5754 11.4416 11.4416 11.6445 11.6445 13.6845 13.6845 k = 0.3025 0.5239-0.0000 ( 2128 PWs) bands (ev): 0.7540 0.7540 1.2974 1.2974 4.2328 4.2328 6.3376 6.3376 6.5774 6.5774 7.5171 7.5171 7.7245 7.7245 8.1784 8.1784 8.6651 8.6651 8.7808 8.7808 8.9861 8.9861 9.2206 9.2206 9.4654 9.4654 9.5468 9.5468 9.9367 9.9367 10.6642 10.6642 11.4567 11.4567 11.6808 11.6808 13.7041 13.7041 k = 0.2963 0.5132-0.0000 ( 2132 PWs) bands (ev): 0.6785 0.6785 1.3468 1.3468 4.2806 4.2806 6.3319 6.3319 6.6013 6.6013 7.4682 7.4682 7.7394 7.7394 8.1759 8.1759 8.6292 8.6292 8.7761 8.7761 8.9978 8.9978 9.2149 9.2149 9.4655 9.4655 9.5473 9.5473 9.9086 9.9086 10.7548 10.7548 11.4805 11.4805 11.7185 11.7185 13.7278 13.7278 k = 0.2901 0.5025-0.0000 ( 2132 PWs) bands (ev): 0.5994 0.5994 1.3965 1.3965 4.3359 4.3359 6.3271 6.3271 6.6268 6.6268 7.4123 7.4123 7.7555 7.7555 8.1728 8.1728 8.5897 8.5897 8.7708 8.7708 9.0109 9.0109 9.2071 9.2071 9.4656 9.4656 9.5478 9.5478 9.8910 9.8910 10.8473 10.8473 11.5124 11.5124 11.7575 11.7575 13.7556 13.7556 k = 0.2840 0.4918-0.0000 ( 2124 PWs) bands (ev): 0.5173 0.5173 1.4462 1.4462 4.3983 4.3983 6.3234 6.3234 6.6534 6.6534 7.3502 7.3502 7.7725 7.7725 8.1692 8.1692 8.5475 8.5475 8.7655 8.7655 9.0256 9.0256 9.1975 9.1975 9.4657 9.4657 9.5485 9.5485 9.8834 9.8834 10.9415 10.9415 11.5515 11.5515 11.7978 11.7978 13.7875 13.7875 k = 0.2778 0.4811-0.0000 ( 2120 PWs) bands (ev): 0.4328 0.4328 1.4957 1.4957 4.4674 4.4674 6.3209 6.3209 6.6806 6.6806 7.2826 7.2826 7.7905 7.7905 8.1650 8.1650 8.5032 8.5032 8.7605 8.7605 9.0414 9.0414 9.1861 9.1861 9.4658 9.4658 9.5493 9.5493 9.8848 9.8848 11.0372 11.0372 11.5971 11.5971 11.8397 11.8397 13.8235 13.8235 k = 0.2716 0.4704-0.0000 ( 2124 PWs) bands (ev): 0.3462 0.3462 1.5451 1.5451 4.5427 4.5427 6.3197 6.3197 6.7081 6.7081 7.2104 7.2104 7.8093 7.8093 8.1602 8.1602 8.4577 8.4577 8.7556 8.7556 9.0584 9.0584 9.1733 9.1733 9.4658 9.4658 9.5502 9.5502 9.8941 9.8941 11.1342 11.1342 11.6481 11.6481 11.8831 11.8831 13.8637 13.8637 k = 0.2654 0.4597-0.0000 ( 2124 PWs) bands (ev): 0.2582 0.2582 1.5940 1.5940 4.6236 4.6236 6.3200 6.3200 6.7352 6.7352 7.1346 7.1346 7.8288 7.8288 8.1547 8.1547 8.4116 8.4116 8.7514 8.7514 9.0763 9.0763 9.1599 9.1599 9.4658 9.4658 9.5511 9.5511 9.9103 9.9103 11.2325 11.2325 11.7041 11.7041 11.9281 11.9281 13.9081 13.9081 k = 0.2593 0.4491-0.0000 ( 2124 PWs) bands (ev): 0.1692 0.1692 1.6424 1.6424 4.7098 4.7098 6.3216 6.3216 6.7612 6.7612 7.0567 7.0567 7.8491 7.8491 8.1485 8.1485 8.3657 8.3657 8.7481 8.7481 9.0947 9.0947 9.1465 9.1465 9.4658 9.4658 9.5522 9.5522 9.9322 9.9322 11.3317 11.3317 11.7644 11.7644 11.9750 11.9750 13.9569 13.9569 k = 0.2531 0.4384-0.0000 ( 2124 PWs) bands (ev): 0.0795 0.0795 1.6901 1.6901 4.8009 4.8009 6.3244 6.3244 6.7841 6.7841 6.9795 6.9795 7.8701 7.8701 8.1417 8.1417 8.3205 8.3205 8.7458 8.7458 9.1103 9.1103 9.1371 9.1371 9.4658 9.4658 9.5533 9.5533 9.9586 9.9586 11.4317 11.4317 11.8282 11.8282 12.0236 12.0236 14.0100 14.0100 k = 0.2469 0.4277-0.0000 ( 2126 PWs) bands (ev): -0.0104 -0.0104 1.7369 1.7369 4.8964 4.8964 6.3282 6.3282 6.7956 6.7956 6.9120 6.9120 7.8917 7.8917 8.1341 8.1341 8.2768 8.2768 8.7445 8.7445 9.1085 9.1085 9.1461 9.1461 9.4658 9.4658 9.5545 9.5545 9.9886 9.9886 11.5319 11.5319 11.8953 11.8953 12.0742 12.0742 14.0676 14.0676 k = 0.2407 0.4170-0.0000 ( 2128 PWs) bands (ev): -0.1002 -0.1002 1.7827 1.7827 4.9959 4.9959 6.3322 6.3322 6.7669 6.7669 6.8841 6.8841 7.9137 7.9137 8.1256 8.1256 8.2352 8.2352 8.7447 8.7447 9.0960 9.0960 9.1672 9.1672 9.4660 9.4660 9.5557 9.5557 10.0214 10.0214 11.6320 11.6320 11.9654 11.9654 12.1268 12.1268 14.1297 14.1297 k = 0.2346 0.4063-0.0000 ( 2128 PWs) bands (ev): -0.1897 -0.1897 1.8273 1.8273 5.0991 5.0991 6.3353 6.3353 6.7007 6.7007 6.8948 6.8948 7.9360 7.9360 8.1159 8.1159 8.1965 8.1965 8.7466 8.7466 9.0820 9.0820 9.1914 9.1914 9.4661 9.4661 9.5570 9.5570 10.0562 10.0562 11.7312 11.7312 12.0383 12.0383 12.1813 12.1813 14.1964 14.1964 k = 0.2284 0.3956-0.0000 ( 2134 PWs) bands (ev): -0.2786 -0.2786 1.8706 1.8706 5.2054 5.2054 6.3347 6.3347 6.6290 6.6290 6.9150 6.9150 7.9582 7.9582 8.1043 8.1043 8.1622 8.1622 8.7501 8.7501 9.0677 9.0677 9.2173 9.2173 9.4664 9.4664 9.5585 9.5585 10.0923 10.0923 11.8287 11.8287 12.1142 12.1142 12.2377 12.2377 14.2678 14.2678 k = 0.2222 0.3849-0.0000 ( 2134 PWs) bands (ev): -0.3666 -0.3666 1.9125 1.9125 5.3145 5.3145 6.3251 6.3251 6.5655 6.5655 6.9370 6.9370 7.9792 7.9792 8.0898 8.0898 8.1347 8.1347 8.7553 8.7553 9.0537 9.0537 9.2448 9.2448 9.4668 9.4668 9.5600 9.5600 10.1294 10.1294 11.9234 11.9234 12.1934 12.1934 12.2962 12.2962 14.3440 14.3440 k = 0.2160 0.3742-0.0000 ( 2146 PWs) bands (ev): -0.4536 -0.4536 1.9528 1.9528 5.4257 5.4257 6.2977 6.2977 6.5212 6.5212 6.9589 6.9589 7.9964 7.9964 8.0739 8.0739 8.1157 8.1157 8.7623 8.7623 9.0394 9.0394 9.2738 9.2738 9.4672 9.4672 9.5618 9.5618 10.1669 10.1669 12.0141 12.0141 12.2762 12.2762 12.3569 12.3569 14.4250 14.4250 k = 0.2099 0.3635-0.0000 ( 2150 PWs) bands (ev): -0.5393 -0.5393 1.9915 1.9915 5.5384 5.5384 6.2481 6.2481 6.5017 6.5017 6.9801 6.9801 8.0018 8.0018 8.0668 8.0668 8.1033 8.1033 8.7715 8.7715 9.0257 9.0257 9.3043 9.3043 9.4677 9.4677 9.5638 9.5638 10.2046 10.2046 12.0998 12.0998 12.3619 12.3619 12.4207 12.4207 14.5108 14.5108 k = 0.2037 0.3528-0.0000 ( 2144 PWs) bands (ev): -0.6236 -0.6236 2.0284 2.0284 5.6511 5.6511 6.1835 6.1835 6.5009 6.5009 7.0003 7.0003 7.9904 7.9904 8.0735 8.0735 8.0976 8.0976 8.7829 8.7829 9.0122 9.0122 9.3364 9.3364 9.4686 9.4686 9.5663 9.5663 10.2420 10.2420 12.1798 12.1798 12.4465 12.4465 12.4916 12.4916 14.6015 14.6015 k = 0.1975 0.3421-0.0000 ( 2144 PWs) bands (ev): -0.7063 -0.7063 2.0634 2.0634 5.7609 5.7609 6.1151 6.1151 6.5106 6.5106 7.0193 7.0193 7.9721 7.9721 8.0750 8.0750 8.1078 8.1078 8.7966 8.7966 8.9990 8.9990 9.3697 9.3697 9.4695 9.4695 9.5693 9.5693 10.2789 10.2789 12.2538 12.2538 12.5220 12.5220 12.5769 12.5769 14.6971 14.6971 k = 0.1914 0.3314-0.0000 ( 2148 PWs) bands (ev): -0.7873 -0.7873 2.0965 2.0965 5.8549 5.8549 6.0595 6.0595 6.5261 6.5261 7.0372 7.0372 7.9538 7.9538 8.0695 8.0695 8.1293 8.1293 8.8129 8.8129 8.9860 8.9860 9.4040 9.4040 9.4706 9.4706 9.5734 9.5734 10.3151 10.3151 12.3219 12.3219 12.5896 12.5896 12.6746 12.6746 14.7975 14.7975 k = 0.1852 0.3208-0.0000 ( 2148 PWs) bands (ev): -0.8665 -0.8665 2.1276 2.1276 5.8801 5.8801 6.0719 6.0719 6.5452 6.5452 7.0540 7.0540 7.9375 7.9375 8.0633 8.0633 8.1540 8.1540 8.8320 8.8320 8.9735 8.9735 9.4381 9.4381 9.4722 9.4722 9.5795 9.5795 10.3503 10.3503 12.3845 12.3845 12.6545 12.6545 12.7783 12.7783 14.9027 14.9027 k = 0.1790 0.3101-0.0000 ( 2138 PWs) bands (ev): -0.9438 -0.9438 2.1567 2.1567 5.8285 5.8285 6.1603 6.1603 6.5668 6.5668 7.0699 7.0699 7.9242 7.9242 8.0578 8.0578 8.1798 8.1798 8.8541 8.8541 8.9614 8.9614 9.4661 9.4661 9.4790 9.4790 9.5892 9.5892 10.3846 10.3846 12.4416 12.4416 12.7185 12.7185 12.8853 12.8853 15.0127 15.0127 k = 0.1728 0.2994-0.0000 ( 2138 PWs) bands (ev): -1.0191 -1.0191 2.1838 2.1838 5.7580 5.7580 6.2666 6.2666 6.5901 6.5901 7.0850 7.0850 7.9140 7.9140 8.0533 8.0533 8.2062 8.2062 8.8795 8.8795 8.9495 8.9495 9.4720 9.4720 9.5033 9.5033 9.6059 9.6059 10.4176 10.4176 12.4934 12.4934 12.7820 12.7820 12.9941 12.9941 15.1275 15.1275 k = 0.1667 0.2887-0.0000 ( 2138 PWs) bands (ev): -1.0922 -1.0922 2.2088 2.2088 5.6841 5.6841 6.3742 6.3742 6.6151 6.6151 7.0998 7.0998 7.9073 7.9073 8.0500 8.0500 8.2329 8.2329 8.9084 8.9084 8.9382 8.9382 9.4739 9.4739 9.5238 9.5238 9.6330 9.6330 10.4493 10.4493 12.5398 12.5398 12.8452 12.8452 13.1040 13.1040 15.2468 15.2468 k = 0.1605 0.2780-0.0000 ( 2142 PWs) bands (ev): -1.1632 -1.1632 2.2319 2.2319 5.6101 5.6101 6.4774 6.4774 6.6425 6.6425 7.1149 7.1149 7.9041 7.9041 8.0481 8.0481 8.2598 8.2598 8.9250 8.9250 8.9436 8.9436 9.4755 9.4755 9.5368 9.5368 9.6710 9.6710 10.4796 10.4796 12.5809 12.5809 12.9079 12.9079 13.2142 13.2142 15.3707 15.3707 k = 0.1543 0.2673-0.0000 ( 2133 PWs) bands (ev): -1.2319 -1.2319 2.2530 2.2530 5.5372 5.5372 6.5697 6.5697 6.6759 6.6759 7.1314 7.1314 7.9046 7.9046 8.0478 8.0478 8.2870 8.2870 8.9149 8.9149 8.9810 8.9810 9.4772 9.4772 9.5447 9.5447 9.7170 9.7170 10.5086 10.5086 12.6166 12.6166 12.9700 12.9700 13.3241 13.3241 15.4990 15.4990 k = 0.1481 0.2566-0.0000 ( 2133 PWs) bands (ev): -1.2983 -1.2983 2.2722 2.2722 5.4661 5.4661 6.6377 6.6377 6.7253 6.7253 7.1505 7.1505 7.9083 7.9083 8.0492 8.0492 8.3139 8.3139 8.9042 8.9042 9.0242 9.0242 9.4792 9.4792 9.5501 9.5501 9.7688 9.7688 10.5362 10.5362 12.6472 12.6472 13.0311 13.0311 13.4332 13.4332 15.6314 15.6314 k = 0.1420 0.2459-0.0000 ( 2141 PWs) bands (ev): -1.3623 -1.3623 2.2895 2.2895 5.3970 5.3970 6.6778 6.6778 6.7912 6.7912 7.1743 7.1743 7.9154 7.9154 8.0524 8.0524 8.3405 8.3405 8.8940 8.8940 9.0732 9.0732 9.4811 9.4811 9.5539 9.5539 9.8253 9.8253 10.5624 10.5624 12.6730 12.6730 13.0908 13.0908 13.5409 13.5409 15.7677 15.7677 k = 0.1358 0.2352-0.0000 ( 2141 PWs) bands (ev): -1.4239 -1.4239 2.3050 2.3050 5.3301 5.3301 6.7053 6.7053 6.8549 6.8549 7.2051 7.2051 7.9257 7.9257 8.0574 8.0574 8.3670 8.3670 8.8842 8.8842 9.1283 9.1283 9.4835 9.4835 9.5572 9.5572 9.8861 9.8861 10.5872 10.5872 12.6942 12.6942 13.1486 13.1486 13.6467 13.6467 15.9073 15.9073 k = 0.1296 0.2245-0.0000 ( 2141 PWs) bands (ev): -1.4830 -1.4830 2.3189 2.3189 5.2657 5.2657 6.7281 6.7281 6.9060 6.9060 7.2440 7.2440 7.9388 7.9388 8.0645 8.0645 8.3932 8.3932 8.8750 8.8750 9.1897 9.1897 9.4866 9.4866 9.5602 9.5602 9.9507 9.9507 10.6106 10.6106 12.7115 12.7115 13.2039 13.2039 13.7502 13.7502 16.0449 16.0449 k = 0.1235 0.2138-0.0000 ( 2137 PWs) bands (ev): -1.5396 -1.5396 2.3312 2.3312 5.2037 5.2037 6.7482 6.7482 6.9429 6.9429 7.2901 7.2901 7.9547 7.9547 8.0735 8.0735 8.4190 8.4190 8.8661 8.8661 9.2572 9.2572 9.4909 9.4909 9.5633 9.5633 10.0193 10.0193 10.6325 10.6325 12.7253 12.7253 13.2564 13.2564 13.8507 13.8507 16.0999 16.0999 k = 0.1173 0.2031-0.0000 ( 2141 PWs) bands (ev): -1.5936 -1.5936 2.3420 2.3420 5.1444 5.1444 6.7662 6.7662 6.9677 6.9677 7.3400 7.3400 7.9726 7.9726 8.0843 8.0843 8.4442 8.4442 8.8576 8.8576 9.3286 9.3286 9.4980 9.4980 9.5673 9.5673 10.0915 10.0915 10.6532 10.6532 12.7362 12.7362 13.3053 13.3053 13.9478 13.9478 16.1139 16.1139 k = 0.1111 0.1925-0.0000 ( 2141 PWs) bands (ev): -1.6451 -1.6451 2.3514 2.3514 5.0878 5.0878 6.7824 6.7824 6.9835 6.9835 7.3899 7.3899 7.9926 7.9926 8.0969 8.0969 8.4688 8.4688 8.8498 8.8498 9.3969 9.3969 9.5130 9.5130 9.5747 9.5747 10.1674 10.1674 10.6725 10.6725 12.7450 12.7450 13.3501 13.3501 14.0409 14.0409 16.1196 16.1196 k = 0.1049 0.1818-0.0000 ( 2145 PWs) bands (ev): -1.6939 -1.6939 2.3595 2.3595 5.0340 5.0340 6.7968 6.7968 6.9933 6.9933 7.4370 7.4370 8.0138 8.0138 8.1108 8.1108 8.4926 8.4926 8.8425 8.8425 9.4433 9.4433 9.5395 9.5395 9.6001 9.6001 10.2468 10.2468 10.6906 10.6906 12.7524 12.7524 13.3904 13.3904 14.1296 14.1296 16.1014 16.1014 k = 0.0988 0.1711-0.0000 ( 2145 PWs) bands (ev): -1.7401 -1.7401 2.3665 2.3665 4.9830 4.9830 6.8096 6.8096 6.9990 6.9990 7.4796 7.4796 8.0363 8.0363 8.1258 8.1258 8.5155 8.5155 8.8359 8.8359 9.4629 9.4629 9.5549 9.5549 9.6708 9.6708 10.3295 10.3295 10.7076 10.7076 12.7591 12.7591 13.4256 13.4256 14.2133 14.2133 16.0458 16.0458 k = 0.0926 0.1604-0.0000 ( 2149 PWs) bands (ev): -1.7835 -1.7835 2.3725 2.3725 4.9348 4.9348 6.8209 6.8209 7.0021 7.0021 7.5170 7.5170 8.0593 8.0593 8.1413 8.1413 8.5373 8.5373 8.8300 8.8300 9.4712 9.4712 9.5604 9.5604 9.7693 9.7693 10.4152 10.4152 10.7236 10.7236 12.7660 12.7660 13.4553 13.4553 14.2918 14.2918 15.9591 15.9591 k = 0.0864 0.1497-0.0000 ( 2145 PWs) bands (ev): -1.8243 -1.8243 2.3775 2.3775 4.8896 4.8896 6.8308 6.8308 7.0035 7.0035 7.5493 7.5493 8.0826 8.0826 8.1571 8.1571 8.5578 8.5578 8.8249 8.8249 9.4758 9.4758 9.5636 9.5636 9.8798 9.8798 10.5034 10.5034 10.7387 10.7387 12.7738 12.7738 13.4791 13.4791 14.3645 14.3645 15.8504 15.8504 k = 0.0802 0.1390-0.0000 ( 2149 PWs) bands (ev): -1.8623 -1.8623 2.3816 2.3816 4.8474 4.8474 6.8393 6.8393 7.0037 7.0037 7.5767 7.5767 8.1056 8.1056 8.1725 8.1725 8.5768 8.5768 8.8205 8.8205 9.4788 9.4788 9.5658 9.5658 9.9972 9.9972 10.5929 10.5929 10.7539 10.7539 12.7835 12.7835 13.4967 13.4967 14.4313 14.4313 15.7253 15.7253 k = 0.0741 0.1283-0.0000 ( 2151 PWs) bands (ev): -1.8976 -1.8976 2.3850 2.3850 4.8082 4.8082 6.8464 6.8464 7.0031 7.0031 7.5998 7.5998 8.1281 8.1281 8.1874 8.1874 8.5944 8.5944 8.8171 8.8171 9.4809 9.4809 9.5675 9.5675 10.1187 10.1187 10.6805 10.6805 10.7720 10.7720 12.7961 12.7961 13.5079 13.5079 14.4920 14.4920 15.5877 15.5877 k = 0.0679 0.1176-0.0000 ( 2151 PWs) bands (ev): -1.9302 -1.9302 2.3878 2.3878 4.7720 4.7720 6.8524 6.8524 7.0023 7.0023 7.6191 7.6191 8.1497 8.1497 8.2015 8.2015 8.6103 8.6103 8.8146 8.8146 9.4827 9.4827 9.5691 9.5691 10.2421 10.2421 10.7461 10.7461 10.8126 10.8126 12.8123 12.8123 13.5125 13.5125 14.5463 14.5463 15.4407 15.4407 k = 0.0617 0.1069-0.0000 ( 2157 PWs) bands (ev): -1.9599 -1.9599 2.3900 2.3900 4.7389 4.7389 6.8572 6.8572 7.0011 7.0011 7.6352 7.6352 8.1702 8.1702 8.2145 8.2145 8.6244 8.6244 8.8131 8.8131 9.4840 9.4840 9.5704 9.5704 10.3653 10.3653 10.7707 10.7707 10.8942 10.8942 12.8333 12.8333 13.5105 13.5105 14.5940 14.5940 15.2875 15.2875 k = 0.0556 0.0962-0.0000 ( 2167 PWs) bands (ev): -1.9869 -1.9869 2.3918 2.3918 4.7088 4.7088 6.8610 6.8610 7.0000 7.0000 7.6485 7.6485 8.1892 8.1892 8.2263 8.2263 8.6365 8.6365 8.8123 8.8123 9.4852 9.4852 9.5715 9.5715 10.4857 10.4857 10.7832 10.7832 10.9875 10.9875 12.8598 12.8598 13.5021 13.5021 14.6346 14.6346 15.1312 15.1312 k = 0.0494 0.0855-0.0000 ( 2163 PWs) bands (ev): -2.0110 -2.0110 2.3932 2.3932 4.6819 4.6819 6.8640 6.8640 6.9991 6.9991 7.6596 7.6596 8.2068 8.2068 8.2370 8.2370 8.6468 8.6468 8.8126 8.8126 9.4862 9.4862 9.5726 9.5726 10.6009 10.6009 10.7925 10.7925 11.0827 11.0827 12.8927 12.8927 13.4878 13.4878 14.6656 14.6656 14.9767 14.9767 k = 0.0432 0.0748-0.0000 ( 2167 PWs) bands (ev): -2.0324 -2.0324 2.3942 2.3942 4.6581 4.6581 6.8662 6.8662 6.9983 6.9983 7.6687 7.6687 8.2226 8.2226 8.2463 8.2463 8.6551 8.6551 8.8136 8.8136 9.4870 9.4870 9.5736 9.5736 10.7082 10.7082 10.8002 10.8002 11.1774 11.1774 12.9324 12.9324 13.4685 13.4685 14.6739 14.6739 14.8396 14.8396 k = 0.0370 0.0642-0.0000 ( 2171 PWs) bands (ev): -2.0509 -2.0509 2.3950 2.3950 4.6374 4.6374 6.8678 6.8678 6.9977 6.9977 7.6761 7.6761 8.2365 8.2365 8.2543 8.2543 8.6618 8.6618 8.8151 8.8151 9.4877 9.4877 9.5745 9.5745 10.8010 10.8010 10.8107 10.8107 11.2700 11.2700 12.9787 12.9787 13.4459 13.4459 14.6014 14.6014 14.7805 14.7805 k = 0.0309 0.0535-0.0000 ( 2171 PWs) bands (ev): -2.0665 -2.0665 2.3955 2.3955 4.6199 4.6199 6.8689 6.8689 6.9972 6.9972 7.6821 7.6821 8.2484 8.2484 8.2611 8.2611 8.6670 8.6670 8.8170 8.8170 9.4883 9.4883 9.5752 9.5752 10.8110 10.8110 10.8904 10.8904 11.3582 11.3582 13.0302 13.0302 13.4228 13.4228 14.4660 14.4660 14.7843 14.7843 k = 0.0247 0.0428-0.0000 ( 2167 PWs) bands (ev): -2.0794 -2.0794 2.3959 2.3959 4.6055 4.6055 6.8697 6.8697 6.9970 6.9970 7.6868 7.6868 8.2583 8.2583 8.2666 8.2666 8.6710 8.6710 8.8189 8.8189 9.4887 9.4887 9.5758 9.5758 10.8153 10.8153 10.9605 10.9605 11.4391 11.4391 13.0833 13.0833 13.4043 13.4043 14.3249 14.3249 14.7968 14.7968 k = 0.0185 0.0321-0.0000 ( 2175 PWs) bands (ev): -2.0893 -2.0893 2.3962 2.3962 4.5944 4.5944 6.8701 6.8701 6.9967 6.9967 7.6903 7.6903 8.2659 8.2659 8.2708 8.2708 8.6738 8.6738 8.8208 8.8208 9.4890 9.4890 9.5761 9.5761 10.8185 10.8185 11.0156 11.0156 11.5089 11.5089 13.1305 13.1305 13.3977 13.3977 14.1925 14.1925 14.8083 14.8083 k = 0.0123 0.0214-0.0000 ( 2179 PWs) bands (ev): -2.0965 -2.0965 2.3964 2.3964 4.5864 4.5864 6.8704 6.8704 6.9965 6.9965 7.6927 7.6927 8.2714 8.2714 8.2739 8.2739 8.6757 8.6757 8.8222 8.8222 9.4892 9.4892 9.5764 9.5764 10.8208 10.8208 11.0550 11.0550 11.5631 11.5631 13.1623 13.1623 13.4100 13.4100 14.0778 14.0778 14.8170 14.8170 k = 0.0062 0.0107-0.0000 ( 2183 PWs) bands (ev): -2.1008 -2.1008 2.3965 2.3965 4.5816 4.5816 6.8705 6.8705 6.9964 6.9964 7.6941 7.6941 8.2745 8.2745 8.2759 8.2759 8.6768 8.6768 8.8231 8.8231 9.4892 9.4892 9.5765 9.5765 10.8222 10.8222 11.0787 11.0787 11.5978 11.5978 13.1765 13.1765 13.4347 13.4347 13.9946 13.9946 14.8223 14.8223 k = 0.0000 0.0000 0.0000 ( 2187 PWs) bands (ev): -2.1022 -2.1022 2.3965 2.3965 4.5800 4.5800 6.8705 6.8705 6.9963 6.9963 7.6945 7.6945 8.2754 8.2754 8.2767 8.2767 8.6771 8.6771 8.8235 8.8235 9.4892 9.4892 9.5765 9.5765 10.8226 10.8226 11.0865 11.0865 11.6097 11.6097 13.1797 13.1797 13.4480 13.4480 13.9628 13.9628 14.8241 14.8241 k = 0.0000 0.0000 0.0000 ( 2187 PWs) bands (ev): -2.1022 -2.1022 2.3965 2.3965 4.5800 4.5800 6.8705 6.8705 6.9963 6.9963 7.6945 7.6945 8.2754 8.2754 8.2767 8.2767 8.6771 8.6771 8.8235 8.8235 9.4892 9.4892 9.5765 9.5765 10.8226 10.8226 11.0865 11.0865 11.6097 11.6097 13.1797 13.1797 13.4480 13.4480 13.9628 13.9628 14.8241 14.8241 k = 0.0000 0.0000 0.0124 ( 2181 PWs) bands (ev): -2.1007 -2.1007 2.3848 2.3848 4.5932 4.5932 6.8714 6.8714 6.9972 6.9972 7.6955 7.6955 8.2759 8.2759 8.2773 8.2773 8.6759 8.6759 8.8217 8.8217 9.4872 9.4872 9.5746 9.5746 10.8211 10.8211 11.0903 11.0903 11.6129 11.6129 13.1796 13.1796 13.4480 13.4480 13.9655 13.9655 14.8149 14.8149 k = 0.0000 0.0000 0.0247 ( 2180 PWs) bands (ev): -2.0963 -2.0963 2.3506 2.3506 4.6321 4.6321 6.8742 6.8742 6.9997 6.9997 7.6983 7.6983 8.2774 8.2774 8.2790 8.2790 8.6723 8.6723 8.8162 8.8162 9.4806 9.4806 9.5684 9.5684 10.8167 10.8167 11.1013 11.1013 11.6226 11.6226 13.1791 13.1791 13.4480 13.4480 13.9735 13.9735 14.7877 14.7877 k = 0.0000 0.0000 0.0371 ( 2180 PWs) bands (ev): -2.0890 -2.0890 2.2960 2.2960 4.6942 4.6942 6.8788 6.8788 7.0040 7.0040 7.7028 7.7028 8.2800 8.2800 8.2819 8.2819 8.6663 8.6663 8.8072 8.8072 9.4701 9.4701 9.5583 9.5583 10.8095 10.8095 11.1194 11.1194 11.6386 11.6386 13.1782 13.1782 13.4480 13.4480 13.9869 13.9869 14.7437 14.7437 k = 0.0000 0.0000 0.0495 ( 2174 PWs) bands (ev): -2.0787 -2.0787 2.2243 2.2243 4.7764 4.7764 6.8853 6.8853 7.0100 7.0100 7.7091 7.7091 8.2834 8.2834 8.2859 8.2859 8.6580 8.6580 8.7946 8.7946 9.4561 9.4561 9.5446 9.5446 10.7993 10.7993 11.1441 11.1441 11.6607 11.6607 13.1769 13.1769 13.4480 13.4480 14.0056 14.0056 14.6842 14.6842 k = 0.0000 0.0000 0.0618 ( 2162 PWs) bands (ev): -2.0655 -2.0655 2.1388 2.1388 4.8755 4.8755 6.8937 6.8937 7.0176 7.0176 7.7171 7.7171 8.2879 8.2879 8.2911 8.2911 8.6473 8.6473 8.7784 8.7784 9.4390 9.4390 9.5277 9.5277 10.7867 10.7867 11.1749 11.1749 11.6884 11.6884 13.1753 13.1753 13.4479 13.4479 14.0295 14.0295 14.6111 14.6111 k = 0.0000 0.0000 0.0742 ( 2168 PWs) bands (ev): -2.0494 -2.0494 2.0424 2.0424 4.9881 4.9881 6.9038 6.9038 7.0269 7.0269 7.7263 7.7263 8.2933 8.2933 8.2974 8.2974 8.6344 8.6344 8.7587 8.7587 9.4189 9.4189 9.5075 9.5075 10.7717 10.7717 11.2113 11.2113 11.7214 11.7214 13.1732 13.1732 13.4476 13.4476 14.0585 14.0585 14.5259 14.5259 k = 0.0000 0.0000 0.0865 ( 2168 PWs) bands (ev): -2.0303 -2.0303 1.9379 1.9379 5.1116 5.1116 6.9158 6.9158 7.0377 7.0377 7.7377 7.7377 8.2995 8.2995 8.3048 8.3048 8.6192 8.6192 8.7355 8.7355 9.3968 9.3968 9.4846 9.4846 10.7546 10.7546 11.2526 11.2526 11.7593 11.7593 13.1706 13.1706 13.4473 13.4473 14.0926 14.0926 14.4304 14.4304 k = 0.0000 0.0000 0.0989 ( 2168 PWs) bands (ev): -2.0083 -2.0083 1.8273 1.8273 5.2436 5.2436 6.9296 6.9296 7.0503 7.0503 7.7506 7.7506 8.3064 8.3064 8.3134 8.3134 8.6021 8.6021 8.7089 8.7089 9.3731 9.3731 9.4595 9.4595 10.7356 10.7356 11.2981 11.2981 11.8017 11.8017 13.1674 13.1674 13.4467 13.4467 14.1315 14.1315 14.3258 14.3258 k = 0.0000 0.0000 0.1113 ( 2168 PWs) bands (ev): -1.9834 -1.9834 1.7124 1.7124 5.3823 5.3823 6.9453 6.9453 7.0644 7.0644 7.7650 7.7650 8.3138 8.3138 8.3230 8.3230 8.5831 8.5831 8.6790 8.6790 9.3481 9.3481 9.4326 9.4326 10.7150 10.7150 11.3473 11.3473 11.8480 11.8480 13.1637 13.1637 13.4459 13.4459 14.1753 14.1753 14.2135 14.2135 k = 0.0000 0.0000 0.1236 ( 2168 PWs) bands (ev): -1.9555 -1.9555 1.5945 1.5945 5.5261 5.5261 6.9628 6.9628 7.0802 7.0802 7.7808 7.7808 8.3216 8.3216 8.3337 8.3337 8.5625 8.5625 8.6461 8.6461 9.3224 9.3224 9.4042 9.4042 10.6932 10.6932 11.3995 11.3995 11.8978 11.8978 13.1593 13.1593 13.4447 13.4447 14.0945 14.0945 14.2237 14.2237 k = 0.0000 0.0000 0.1360 ( 2168 PWs) bands (ev): -1.9248 -1.9248 1.4746 1.4746 5.6736 5.6736 6.9822 6.9822 7.0976 7.0976 7.7980 7.7980 8.3291 8.3291 8.3454 8.3454 8.5409 8.5409 8.6103 8.6103 9.2962 9.2962 9.3746 9.3746 10.6706 10.6706 11.4542 11.4542 11.9507 11.9507 13.1542 13.1542 13.4431 13.4431 13.9698 13.9698 14.2767 14.2767 k = 0.0000 0.0000 0.1484 ( 2156 PWs) bands (ev): -1.8911 -1.8911 1.3537 1.3537 5.8239 5.8239 7.0036 7.0036 7.1165 7.1165 7.8163 7.8163 8.3358 8.3358 8.3583 8.3583 8.5192 8.5192 8.5718 8.5718 9.2696 9.2696 9.3442 9.3442 10.6479 10.6479 11.5108 11.5108 12.0062 12.0062 13.1483 13.1483 13.4410 13.4410 13.8402 13.8402 14.3341 14.3341 k = 0.0000 0.0000 0.1607 ( 2156 PWs) bands (ev): -1.8546 -1.8546 1.2323 1.2323 5.9757 5.9757 7.0268 7.0268 7.1370 7.1370 7.8357 7.8357 8.3399 8.3399 8.3721 8.3721 8.4989 8.4989 8.5309 8.5309 9.2428 9.2428 9.3132 9.3132 10.6250 10.6250 11.5688 11.5688 12.0640 12.0640 13.1415 13.1415 13.4383 13.4383 13.7067 13.7067 14.3959 14.3959 k = 0.0000 0.0000 0.1731 ( 2156 PWs) bands (ev): -1.8151 -1.8151 1.1109 1.1109 6.1280 6.1280 7.0520 7.0520 7.1590 7.1590 7.8561 7.8561 8.3392 8.3392 8.3869 8.3869 8.4823 8.4823 8.4879 8.4879 9.2160 9.2160 9.2818 9.2818 10.6025 10.6025 11.6275 11.6275 12.1237 12.1237 13.1337 13.1337 13.4348 13.4348 13.5699 13.5699 14.4618 14.4618 k = 0.0000 0.0000 0.1855 ( 2156 PWs) bands (ev): -1.7728 -1.7728 0.9901 0.9901 6.2799 6.2799 7.0793 7.0793 7.1825 7.1825 7.8772 7.8772 8.3308 8.3308 8.4027 8.4027 8.4431 8.4431 8.4727 8.4727 9.1891 9.1891 9.2502 9.2502 10.5813 10.5813 11.6863 11.6863 12.1849 12.1849 13.1247 13.1247 13.4305 13.4305 13.4309 13.4309 14.5319 14.5319 k = 0.0000 0.0000 0.1978 ( 2150 PWs) bands (ev): -1.7276 -1.7276 0.8701 0.8701 6.4302 6.4302 7.1090 7.1090 7.2075 7.2075 7.8988 7.8988 8.3134 8.3134 8.3966 8.3966 8.4195 8.4195 8.4714 8.4714 9.1624 9.1624 9.2186 9.2186 10.5618 10.5618 11.7445 11.7445 12.2472 12.2472 13.1146 13.1146 13.2905 13.2905 13.4251 13.4251 14.6059 14.6059 k = 0.0000 0.0000 0.2102 ( 2138 PWs) bands (ev): -1.6795 -1.6795 0.7511 0.7511 6.5779 6.5779 7.1414 7.1414 7.2339 7.2339 7.9208 7.9208 8.2882 8.2882 8.3489 8.3489 8.4374 8.4374 8.4775 8.4775 9.1356 9.1356 9.1870 9.1870 10.5447 10.5447 11.8010 11.8010 12.3103 12.3103 13.1031 13.1031 13.1500 13.1500 13.4186 13.4186 14.6837 14.6837 k = 0.0000 0.0000 0.2225 ( 2138 PWs) bands (ev): -1.6285 -1.6285 0.6336 0.6336 6.7211 6.7211 7.1771 7.1771 7.2617 7.2617 7.9428 7.9428 8.2574 8.2574 8.3000 8.3000 8.4559 8.4559 8.4884 8.4884 9.1088 9.1088 9.1555 9.1555 10.5308 10.5308 11.8545 11.8545 12.3739 12.3739 13.0110 13.0110 13.0901 13.0901 13.4107 13.4107 14.7653 14.7653 k = 0.0000 0.0000 0.2349 ( 2138 PWs) bands (ev): -1.5747 -1.5747 0.5176 0.5176 6.8578 6.8578 7.2173 7.2173 7.2908 7.2908 7.9646 7.9646 8.2229 8.2229 8.2502 8.2502 8.4754 8.4754 8.5026 8.5026 9.0820 9.0820 9.1242 9.1242 10.5210 10.5210 11.9026 11.9026 12.4377 12.4377 12.8759 12.8759 13.0755 13.0755 13.4013 13.4013 14.8504 14.8504 k = 0.0000 0.0000 0.2473 ( 2132 PWs) bands (ev): -1.5181 -1.5181 0.4033 0.4033 6.9844 6.9844 7.2647 7.2647 7.3213 7.3213 7.9859 7.9859 8.1858 8.1858 8.1998 8.1998 8.4956 8.4956 8.5192 8.5192 9.0552 9.0552 9.0932 9.0932 10.5161 10.5161 11.9415 11.9415 12.5013 12.5013 12.7490 12.7490 13.0592 13.0592 13.3902 13.3902 14.9389 14.9389 k = 0.0000 0.0000 0.2596 ( 2150 PWs) bands (ev): -1.4586 -1.4586 0.2908 0.2908 7.0953 7.0953 7.3233 7.3233 7.3528 7.3528 8.0056 8.0056 8.1470 8.1470 8.1490 8.1490 8.5166 8.5166 8.5375 8.5375 9.0283 9.0283 9.0623 9.0623 10.5171 10.5171 11.9644 11.9644 12.5643 12.5643 12.6372 12.6372 13.0410 13.0410 13.3772 13.3772 15.0307 15.0307 k = 0.0000 0.0000 0.2720 ( 2150 PWs) bands (ev): -1.3964 -1.3964 0.1803 0.1803 7.1851 7.1851 7.3857 7.3857 7.3979 7.3979 8.0244 8.0244 8.0980 8.0980 8.1068 8.1068 8.5385 8.5385 8.5571 8.5571 9.0015 9.0015 9.0318 9.0318 10.5250 10.5250 11.9609 11.9609 12.5514 12.5514 12.6266 12.6266 13.0208 13.0208 13.3621 13.3621 15.1254 15.1254 k = 0.0000 0.0000 0.2844 ( 2150 PWs) bands (ev): -1.3313 -1.3313 0.0719 0.0719 7.2546 7.2546 7.4198 7.4198 7.4862 7.4862 8.0381 8.0381 8.0500 8.0500 8.0657 8.0657 8.5610 8.5610 8.5780 8.5780 8.9747 8.9747 9.0016 9.0016 10.5409 10.5409 11.9206 11.9206 12.5023 12.5023 12.6879 12.6879 12.9986 12.9986 13.3448 13.3448 15.2229 15.2229 k = 0.0000 0.0000 0.2967 ( 2150 PWs) bands (ev): -1.2634 -1.2634 -0.0344 -0.0344 7.3114 7.3114 7.4551 7.4551 7.5798 7.5798 7.9944 7.9944 8.0239 8.0239 8.0571 8.0571 8.5843 8.5843 8.5998 8.5998 8.9479 8.9479 8.9717 8.9717 10.5658 10.5658 11.8434 11.8434 12.4905 12.4905 12.7477 12.7477 12.9742 12.9742 13.3250 13.3250 15.3228 15.3228 k = 0.0000 0.0000 0.3091 ( 2156 PWs) bands (ev): -1.1928 -1.1928 -0.1384 -0.1384 7.3618 7.3618 7.4913 7.4913 7.6709 7.6709 7.9434 7.9434 7.9815 7.9815 8.0684 8.0684 8.6081 8.6081 8.6224 8.6224 8.9211 8.9211 8.9422 8.9422 10.6006 10.6006 11.7406 11.7406 12.5052 12.5052 12.8059 12.8059 12.9475 12.9475 13.3026 13.3026 15.4246 15.4246 k = 0.0000 0.0000 0.3215 ( 2144 PWs) bands (ev): -1.1194 -1.1194 -0.2401 -0.2401 7.4096 7.4096 7.5286 7.5286 7.7553 7.7553 7.8927 7.8927 7.9390 7.9390 8.0764 8.0764 8.6326 8.6326 8.6459 8.6459 8.8945 8.8945 8.9133 8.9133 10.6461 10.6461 11.6243 11.6243 12.5350 12.5350 12.8621 12.8621 12.9185 12.9185 13.2774 13.2774 15.5279 15.5279 k = 0.0000 0.0000 0.3338 ( 2156 PWs) bands (ev): -1.0433 -1.0433 -0.3394 -0.3394 7.4564 7.4564 7.5668 7.5668 7.8306 7.8306 7.8420 7.8420 7.8963 7.8963 8.0795 8.0795 8.6576 8.6576 8.6701 8.6701 8.8676 8.8676 8.8842 8.8842 10.7027 10.7027 11.5024 11.5024 12.5726 12.5726 12.8871 12.8871 12.9162 12.9162 13.2493 13.2493 15.6319 15.6319 k = 0.0000 0.0000 0.3462 ( 2156 PWs) bands (ev): -0.9645 -0.9645 -0.4364 -0.4364 7.5030 7.5030 7.6059 7.6059 7.7921 7.7921 7.8538 7.8538 7.8955 7.8955 8.0769 8.0769 8.6831 8.6831 8.6949 8.6949 8.8409 8.8409 8.8558 8.8558 10.7706 10.7706 11.3800 11.3800 12.6137 12.6137 12.8535 12.8535 12.9679 12.9679 13.2182 13.2182 15.7359 15.7359 k = 0.0000 0.0000 0.3585 ( 2156 PWs) bands (ev): -0.8830 -0.8830 -0.5308 -0.5308 7.5498 7.5498 7.6458 7.6458 7.7425 7.7425 7.8114 7.8114 7.9499 7.9499 8.0682 8.0682 8.7089 8.7089 8.7204 8.7204 8.8143 8.8143 8.8278 8.8278 10.8496 10.8496 11.2604 11.2604 12.6562 12.6562 12.8176 12.8176 13.0169 13.0169 13.1840 13.1840 15.8388 15.8388 k = 0.0000 0.0000 0.3709 ( 2144 PWs) bands (ev): -0.7988 -0.7988 -0.6227 -0.6227 7.5972 7.5972 7.6864 7.6864 7.6935 7.6935 7.7694 7.7694 7.9938 7.9938 8.0520 8.0520 8.7351 8.7351 8.7467 8.7467 8.7878 8.7878 8.8003 8.8003 10.9391 10.9391 11.1459 11.1459 12.6985 12.6985 12.7796 12.7796 13.0632 13.0632 13.1468 13.1468 15.9393 15.9393 k = 0.0000 0.0000 0.3833 ( 2144 PWs) bands (ev): -0.7121 -0.7121 -0.7121 -0.7121 7.6450 7.6450 7.6450 7.6450 7.7276 7.7276 7.7276 7.7276 8.0275 8.0275 8.0275 8.0275 8.7614 8.7614 8.7614 8.7614 8.7733 8.7733 8.7733 8.7733 11.0383 11.0383 11.0383 11.0383 12.7398 12.7398 12.7398 12.7398 13.1065 13.1065 13.1065 13.1065 16.0360 16.0360 k = 0.0000 0.0000 0.3833 ( 2144 PWs) bands (ev): -0.7121 -0.7121 -0.7121 -0.7121 7.6450 7.6450 7.6450 7.6450 7.7276 7.7276 7.7276 7.7276 8.0275 8.0275 8.0275 8.0275 8.7614 8.7614 8.7614 8.7614 8.7733 8.7733 8.7733 8.7733 11.0383 11.0383 11.0383 11.0383 12.7398 12.7398 12.7398 12.7398 13.1065 13.1065 13.1065 13.1065 16.0360 16.0360 k = 0.0106 0.0061 0.3833 ( 2148 PWs) bands (ev): -0.7108 -0.7108 -0.7108 -0.7108 7.6424 7.6424 7.6424 7.6424 7.7255 7.7255 7.7255 7.7255 8.0294 8.0294 8.0294 8.0294 8.7608 8.7608 8.7608 8.7608 8.7736 8.7736 8.7736 8.7736 11.0389 11.0389 11.0389 11.0389 12.7338 12.7338 12.7338 12.7338 13.0995 13.0995 13.0995 13.0995 16.0427 16.0427 k = 0.0213 0.0123 0.3833 ( 2156 PWs) bands (ev): -0.7070 -0.7070 -0.7070 -0.7070 7.6341 7.6341 7.6341 7.6341 7.7198 7.7198 7.7198 7.7198 8.0347 8.0347 8.0347 8.0347 8.7593 8.7593 8.7593 8.7593 8.7746 8.7746 8.7746 8.7746 11.0408 11.0408 11.0408 11.0408 12.7156 12.7156 12.7156 12.7156 13.0791 13.0791 13.0791 13.0791 16.0609 16.0609 k = 0.0319 0.0184 0.3833 ( 2156 PWs) bands (ev): -0.7006 -0.7006 -0.7006 -0.7006 7.6189 7.6189 7.6189 7.6189 7.7129 7.7129 7.7129 7.7129 8.0427 8.0427 8.0427 8.0427 8.7571 8.7571 8.7571 8.7571 8.7759 8.7759 8.7759 8.7759 11.0436 11.0436 11.0436 11.0436 12.6855 12.6855 12.6855 12.6855 13.0469 13.0469 13.0469 13.0469 16.0850 16.0850 k = 0.0426 0.0246 0.3833 ( 2156 PWs) bands (ev): -0.6917 -0.6917 -0.6917 -0.6917 7.5958 7.5958 7.5958 7.5958 7.7065 7.7065 7.7065 7.7065 8.0525 8.0525 8.0525 8.0525 8.7546 8.7546 8.7546 8.7546 8.7775 8.7775 8.7775 8.7775 11.0471 11.0471 11.0471 11.0471 12.6437 12.6437 12.6437 12.6437 13.0051 13.0051 13.0051 13.0051 16.1037 16.1037 k = 0.0532 0.0307 0.3833 ( 2152 PWs) bands (ev): -0.6803 -0.6803 -0.6803 -0.6803 7.5648 7.5648 7.5648 7.5648 7.7013 7.7013 7.7013 7.7013 8.0634 8.0634 8.0634 8.0634 8.7517 8.7517 8.7517 8.7517 8.7792 8.7792 8.7792 8.7792 11.0507 11.0507 11.0507 11.0507 12.5909 12.5909 12.5909 12.5909 12.9562 12.9562 12.9562 12.9562 16.1036 16.1036 k = 0.0638 0.0369 0.3833 ( 2148 PWs) bands (ev): -0.6664 -0.6664 -0.6664 -0.6664 7.5268 7.5268 7.5268 7.5268 7.6974 7.6974 7.6974 7.6974 8.0747 8.0747 8.0747 8.0747 8.7486 8.7486 8.7486 8.7486 8.7809 8.7809 8.7809 8.7809 11.0539 11.0539 11.0539 11.0539 12.5283 12.5283 12.5283 12.5283 12.9025 12.9025 12.9025 12.9025 16.0791 16.0791 k = 0.0745 0.0430 0.3833 ( 2144 PWs) bands (ev): -0.6499 -0.6499 -0.6499 -0.6499 7.4828 7.4828 7.4828 7.4828 7.6942 7.6942 7.6942 7.6942 8.0860 8.0860 8.0860 8.0860 8.7453 8.7453 8.7453 8.7453 8.7827 8.7827 8.7827 8.7827 11.0556 11.0556 11.0556 11.0556 12.4579 12.4579 12.4579 12.4579 12.8456 12.8456 12.8456 12.8456 16.0365 16.0365 k = 0.0851 0.0491 0.3833 ( 2144 PWs) bands (ev): -0.6310 -0.6310 -0.6310 -0.6310 7.4334 7.4334 7.4334 7.4334 7.6914 7.6914 7.6914 7.6914 8.0970 8.0970 8.0970 8.0970 8.7416 8.7416 8.7416 8.7416 8.7844 8.7844 8.7844 8.7844 11.0548 11.0548 11.0548 11.0548 12.3823 12.3823 12.3823 12.3823 12.7868 12.7868 12.7868 12.7868 15.9840 15.9840 k = 0.0957 0.0553 0.3833 ( 2144 PWs) bands (ev): -0.6096 -0.6096 -0.6096 -0.6096 7.3792 7.3792 7.3792 7.3792 7.6889 7.6889 7.6889 7.6889 8.1074 8.1074 8.1074 8.1074 8.7377 8.7377 8.7377 8.7377 8.7863 8.7863 8.7863 8.7863 11.0501 11.0501 11.0501 11.0501 12.3045 12.3045 12.3045 12.3045 12.7266 12.7266 12.7266 12.7266 15.9275 15.9275 k = 0.1064 0.0614 0.3833 ( 2144 PWs) bands (ev): -0.5858 -0.5858 -0.5858 -0.5858 7.3206 7.3206 7.3206 7.3206 7.6865 7.6865 7.6865 7.6865 8.1173 8.1173 8.1173 8.1173 8.7336 8.7336 8.7336 8.7336 8.7882 8.7882 8.7882 8.7882 11.0398 11.0398 11.0398 11.0398 12.2278 12.2278 12.2278 12.2278 12.6657 12.6657 12.6657 12.6657 15.8701 15.8701 k = 0.1170 0.0676 0.3833 ( 2142 PWs) bands (ev): -0.5596 -0.5596 -0.5596 -0.5596 7.2578 7.2578 7.2578 7.2578 7.6841 7.6841 7.6841 7.6841 8.1265 8.1265 8.1265 8.1265 8.7293 8.7293 8.7293 8.7293 8.7903 8.7903 8.7903 8.7903 11.0221 11.0221 11.0221 11.0221 12.1555 12.1555 12.1555 12.1555 12.6043 12.6043 12.6043 12.6043 15.8139 15.8139 k = 0.1277 0.0737 0.3833 ( 2150 PWs) bands (ev): -0.5310 -0.5310 -0.5310 -0.5310 7.1911 7.1911 7.1911 7.1911 7.6815 7.6815 7.6815 7.6815 8.1349 8.1349 8.1349 8.1349 8.7248 8.7248 8.7248 8.7248 8.7926 8.7926 8.7926 8.7926 10.9952 10.9952 10.9952 10.9952 12.0905 12.0905 12.0905 12.0905 12.5428 12.5428 12.5428 12.5428 15.7600 15.7600 k = 0.1383 0.0798 0.3833 ( 2146 PWs) bands (ev): -0.5000 -0.5000 -0.5000 -0.5000 7.1207 7.1207 7.1207 7.1207 7.6790 7.6790 7.6790 7.6790 8.1427 8.1427 8.1427 8.1427 8.7202 8.7202 8.7202 8.7202 8.7950 8.7950 8.7950 8.7950 10.9578 10.9578 10.9578 10.9578 12.0352 12.0352 12.0352 12.0352 12.4817 12.4817 12.4817 12.4817 15.7091 15.7091 k = 0.1489 0.0860 0.3833 ( 2146 PWs) bands (ev): -0.4667 -0.4667 -0.4667 -0.4667 7.0468 7.0468 7.0468 7.0468 7.6762 7.6762 7.6762 7.6762 8.1497 8.1497 8.1497 8.1497 8.7155 8.7155 8.7155 8.7155 8.7977 8.7977 8.7977 8.7977 10.9094 10.9094 10.9094 10.9094 11.9906 11.9906 11.9906 11.9906 12.4215 12.4215 12.4215 12.4215 15.6618 15.6618 k = 0.1596 0.0921 0.3833 ( 2154 PWs) bands (ev): -0.4312 -0.4312 -0.4312 -0.4312 6.9694 6.9694 6.9694 6.9694 7.6732 7.6732 7.6732 7.6732 8.1558 8.1558 8.1558 8.1558 8.7107 8.7107 8.7107 8.7107 8.8005 8.8005 8.8005 8.8005 10.8501 10.8501 10.8501 10.8501 11.9567 11.9567 11.9567 11.9567 12.3630 12.3630 12.3630 12.3630 15.6183 15.6183 k = 0.1702 0.0983 0.3833 ( 2150 PWs) bands (ev): -0.3934 -0.3934 -0.3934 -0.3934 6.8889 6.8889 6.8889 6.8889 7.6702 7.6702 7.6702 7.6702 8.1612 8.1612 8.1612 8.1612 8.7060 8.7060 8.7060 8.7060 8.8037 8.8037 8.8037 8.8037 10.7814 10.7814 10.7814 10.7814 11.9321 11.9321 11.9321 11.9321 12.3071 12.3071 12.3071 12.3071 15.5790 15.5790 k = 0.1809 0.1044 0.3833 ( 2154 PWs) bands (ev): -0.3535 -0.3535 -0.3535 -0.3535 6.8054 6.8054 6.8054 6.8054 7.6670 7.6670 7.6670 7.6670 8.1656 8.1656 8.1656 8.1656 8.7012 8.7012 8.7012 8.7012 8.8071 8.8071 8.8071 8.8071 10.7050 10.7050 10.7050 10.7050 11.9139 11.9139 11.9139 11.9139 12.2555 12.2555 12.2555 12.2555 15.5439 15.5439 k = 0.1915 0.1106 0.3833 ( 2154 PWs) bands (ev): -0.3115 -0.3115 -0.3115 -0.3115 6.7190 6.7190 6.7190 6.7190 7.6636 7.6636 7.6636 7.6636 8.1692 8.1692 8.1692 8.1692 8.6968 8.6968 8.6968 8.6968 8.8108 8.8108 8.8108 8.8108 10.6231 10.6231 10.6231 10.6231 11.8985 11.8985 11.8985 11.8985 12.2102 12.2102 12.2102 12.2102 15.5131 15.5131 k = 0.2021 0.1167 0.3833 ( 2158 PWs) bands (ev): -0.2674 -0.2674 -0.2674 -0.2674 6.6298 6.6298 6.6298 6.6298 7.6599 7.6599 7.6599 7.6599 8.1718 8.1718 8.1718 8.1718 8.6925 8.6925 8.6925 8.6925 8.8148 8.8148 8.8148 8.8148 10.5376 10.5376 10.5376 10.5376 11.8816 11.8816 11.8816 11.8816 12.1741 12.1741 12.1741 12.1741 15.4867 15.4867 k = 0.2128 0.1228 0.3833 ( 2150 PWs) bands (ev): -0.2214 -0.2214 -0.2214 -0.2214 6.5383 6.5383 6.5383 6.5383 7.6562 7.6562 7.6562 7.6562 8.1735 8.1735 8.1735 8.1735 8.6888 8.6888 8.6888 8.6888 8.8192 8.8192 8.8192 8.8192 10.4502 10.4502 10.4502 10.4502 11.8590 11.8590 11.8590 11.8590 12.1500 12.1500 12.1500 12.1500 15.4649 15.4649 k = 0.2234 0.1290 0.3833 ( 2146 PWs) bands (ev): -0.1735 -0.1735 -0.1735 -0.1735 6.4444 6.4444 6.4444 6.4444 7.6523 7.6523 7.6523 7.6523 8.1741 8.1741 8.1741 8.1741 8.6854 8.6854 8.6854 8.6854 8.8239 8.8239 8.8239 8.8239 10.3624 10.3624 10.3624 10.3624 11.8285 11.8285 11.8285 11.8285 12.1390 12.1390 12.1390 12.1390 15.4475 15.4475 k = 0.2340 0.1351 0.3833 ( 2144 PWs) bands (ev): -0.1238 -0.1238 -0.1238 -0.1238 6.3485 6.3485 6.3485 6.3485 7.6482 7.6482 7.6482 7.6482 8.1736 8.1736 8.1736 8.1736 8.6825 8.6825 8.6825 8.6825 8.8289 8.8289 8.8289 8.8289 10.2753 10.2753 10.2753 10.2753 11.7906 11.7906 11.7906 11.7906 12.1396 12.1396 12.1396 12.1396 15.4346 15.4346 k = 0.2447 0.1413 0.3833 ( 2148 PWs) bands (ev): -0.0724 -0.0724 -0.0724 -0.0724 6.2507 6.2507 6.2507 6.2507 7.6440 7.6440 7.6440 7.6440 8.1720 8.1720 8.1720 8.1720 8.6803 8.6803 8.6803 8.6803 8.8342 8.8342 8.8342 8.8342 10.1896 10.1896 10.1896 10.1896 11.7474 11.7474 11.7474 11.7474 12.1490 12.1490 12.1490 12.1490 15.4263 15.4263 k = 0.2553 0.1474 0.3833 ( 2148 PWs) bands (ev): -0.0195 -0.0195 -0.0195 -0.0195 6.1514 6.1514 6.1514 6.1514 7.6397 7.6397 7.6397 7.6397 8.1692 8.1692 8.1692 8.1692 8.6789 8.6789 8.6789 8.6789 8.8398 8.8398 8.8398 8.8398 10.1062 10.1062 10.1062 10.1062 11.7011 11.7011 11.7011 11.7011 12.1644 12.1644 12.1644 12.1644 15.4225 15.4225 k = 0.2660 0.1536 0.3833 ( 2148 PWs) bands (ev): 0.0349 0.0349 0.0349 0.0349 6.0509 6.0509 6.0509 6.0509 7.6352 7.6352 7.6352 7.6352 8.1652 8.1652 8.1652 8.1652 8.6784 8.6784 8.6784 8.6784 8.8457 8.8457 8.8457 8.8457 10.0255 10.0255 10.0255 10.0255 11.6533 11.6533 11.6533 11.6533 12.1837 12.1837 12.1837 12.1837 15.4231 15.4231 k = 0.2766 0.1597 0.3833 ( 2148 PWs) bands (ev): 0.0906 0.0906 0.0906 0.0906 5.9495 5.9495 5.9495 5.9495 7.6307 7.6307 7.6307 7.6307 8.1600 8.1600 8.1600 8.1600 8.6788 8.6788 8.6788 8.6788 8.8518 8.8518 8.8518 8.8518 9.9479 9.9479 9.9479 9.9479 11.6052 11.6052 11.6052 11.6052 12.2054 12.2054 12.2054 12.2054 15.4281 15.4281 k = 0.2872 0.1658 0.3833 ( 2144 PWs) bands (ev): 0.1474 0.1474 0.1474 0.1474 5.8475 5.8475 5.8475 5.8475 7.6262 7.6262 7.6262 7.6262 8.1538 8.1538 8.1538 8.1538 8.6802 8.6802 8.6802 8.6802 8.8582 8.8582 8.8582 8.8582 9.8737 9.8737 9.8737 9.8737 11.5574 11.5574 11.5574 11.5574 12.2285 12.2285 12.2285 12.2285 15.4375 15.4375 k = 0.2979 0.1720 0.3833 ( 2144 PWs) bands (ev): 0.2052 0.2052 0.2052 0.2052 5.7453 5.7453 5.7453 5.7453 7.6216 7.6216 7.6216 7.6216 8.1465 8.1465 8.1465 8.1465 8.6825 8.6825 8.6825 8.6825 8.8648 8.8648 8.8648 8.8648 9.8029 9.8029 9.8029 9.8029 11.5105 11.5105 11.5105 11.5105 12.2523 12.2523 12.2523 12.2523 15.4511 15.4511 k = 0.3085 0.1781 0.3833 ( 2144 PWs) bands (ev): 0.2637 0.2637 0.2637 0.2637 5.6432 5.6432 5.6432 5.6432 7.6169 7.6169 7.6169 7.6169 8.1382 8.1382 8.1382 8.1382 8.6859 8.6859 8.6859 8.6859 8.8716 8.8716 8.8716 8.8716 9.7356 9.7356 9.7356 9.7356 11.4648 11.4648 11.4648 11.4648 12.2761 12.2761 12.2761 12.2761 15.4689 15.4689 k = 0.3191 0.1843 0.3833 ( 2152 PWs) bands (ev): 0.3227 0.3227 0.3227 0.3227 5.5418 5.5418 5.5418 5.5418 7.6123 7.6123 7.6123 7.6123 8.1291 8.1291 8.1291 8.1291 8.6904 8.6904 8.6904 8.6904 8.8784 8.8784 8.8784 8.8784 9.6718 9.6718 9.6718 9.6718 11.4205 11.4205 11.4205 11.4205 12.2996 12.2996 12.2996 12.2996 15.4905 15.4905 k = 0.3298 0.1904 0.3833 ( 2160 PWs) bands (ev): 0.3820 0.3820 0.3820 0.3820 5.4413 5.4413 5.4413 5.4413 7.6077 7.6077 7.6077 7.6077 8.1193 8.1193 8.1193 8.1193 8.6957 8.6957 8.6957 8.6957 8.8853 8.8853 8.8853 8.8853 9.6117 9.6117 9.6117 9.6117 11.3780 11.3780 11.3780 11.3780 12.3224 12.3224 12.3224 12.3224 15.5159 15.5159 k = 0.3404 0.1965 0.3833 ( 2160 PWs) bands (ev): 0.4413 0.4413 0.4413 0.4413 5.3424 5.3424 5.3424 5.3424 7.6033 7.6033 7.6033 7.6033 8.1089 8.1089 8.1089 8.1089 8.7022 8.7022 8.7022 8.7022 8.8923 8.8923 8.8923 8.8923 9.5550 9.5550 9.5550 9.5550 11.3375 11.3375 11.3375 11.3375 12.3443 12.3443 12.3443 12.3443 15.5448 15.5448 k = 0.3511 0.2027 0.3833 ( 2152 PWs) bands (ev): 0.5002 0.5002 0.5002 0.5002 5.2455 5.2455 5.2455 5.2455 7.5991 7.5991 7.5991 7.5991 8.0982 8.0982 8.0982 8.0982 8.7096 8.7096 8.7096 8.7096 8.8993 8.8993 8.8993 8.8993 9.5019 9.5019 9.5019 9.5019 11.2989 11.2989 11.2989 11.2989 12.3652 12.3652 12.3652 12.3652 15.5769 15.5769 k = 0.3617 0.2088 0.3833 ( 2154 PWs) bands (ev): 0.5585 0.5585 0.5585 0.5585 5.1511 5.1511 5.1511 5.1511 7.5949 7.5949 7.5949 7.5949 8.0872 8.0872 8.0872 8.0872 8.7179 8.7179 8.7179 8.7179 8.9062 8.9062 8.9062 8.9062 9.4519 9.4519 9.4519 9.4519 11.2625 11.2625 11.2625 11.2625 12.3849 12.3849 12.3849 12.3849 15.6118 15.6118 k = 0.3723 0.2150 0.3833 ( 2154 PWs) bands (ev): 0.6156 0.6156 0.6156 0.6156 5.0598 5.0598 5.0598 5.0598 7.5909 7.5909 7.5909 7.5909 8.0763 8.0763 8.0763 8.0763 8.7269 8.7269 8.7269 8.7269 8.9129 8.9129 8.9129 8.9129 9.4051 9.4051 9.4051 9.4051 11.2283 11.2283 11.2283 11.2283 12.4033 12.4033 12.4033 12.4033 15.6492 15.6492 k = 0.3830 0.2211 0.3833 ( 2154 PWs) bands (ev): 0.6713 0.6713 0.6713 0.6713 4.9722 4.9722 4.9722 4.9722 7.5870 7.5870 7.5870 7.5870 8.0655 8.0655 8.0655 8.0655 8.7368 8.7368 8.7368 8.7368 8.9195 8.9195 8.9195 8.9195 9.3614 9.3614 9.3614 9.3614 11.1965 11.1965 11.1965 11.1965 12.4203 12.4203 12.4203 12.4203 15.6884 15.6884 k = 0.3936 0.2273 0.3833 ( 2154 PWs) bands (ev): 0.7249 0.7249 0.7249 0.7249 4.8888 4.8888 4.8888 4.8888 7.5834 7.5834 7.5834 7.5834 8.0550 8.0550 8.0550 8.0550 8.7473 8.7473 8.7473 8.7473 8.9259 8.9259 8.9259 8.9259 9.3206 9.3206 9.3206 9.3206 11.1671 11.1671 11.1671 11.1671 12.4359 12.4359 12.4359 12.4359 15.7291 15.7291 k = 0.4043 0.2334 0.3833 ( 2154 PWs) bands (ev): 0.7760 0.7760 0.7760 0.7760 4.8104 4.8104 4.8104 4.8104 7.5801 7.5801 7.5801 7.5801 8.0450 8.0450 8.0450 8.0450 8.7582 8.7582 8.7582 8.7582 8.9320 8.9320 8.9320 8.9320 9.2828 9.2828 9.2828 9.2828 11.1402 11.1402 11.1402 11.1402 12.4500 12.4500 12.4500 12.4500 15.7703 15.7703 k = 0.4149 0.2395 0.3833 ( 2148 PWs) bands (ev): 0.8240 0.8240 0.8240 0.8240 4.7377 4.7377 4.7377 4.7377 7.5770 7.5770 7.5770 7.5770 8.0356 8.0356 8.0356 8.0356 8.7696 8.7696 8.7696 8.7696 8.9377 8.9377 8.9377 8.9377 9.2480 9.2480 9.2480 9.2480 11.1160 11.1160 11.1160 11.1160 12.4626 12.4626 12.4626 12.4626 15.8115 15.8115 k = 0.4255 0.2457 0.3833 ( 2150 PWs) bands (ev): 0.8684 0.8684 0.8684 0.8684 4.6712 4.6712 4.6712 4.6712 7.5743 7.5743 7.5743 7.5743 8.0270 8.0270 8.0270 8.0270 8.7811 8.7811 8.7811 8.7811 8.9431 8.9431 8.9431 8.9431 9.2159 9.2159 9.2159 9.2159 11.0944 11.0944 11.0944 11.0944 12.4737 12.4737 12.4737 12.4737 15.8517 15.8517 k = 0.4362 0.2518 0.3833 ( 2146 PWs) bands (ev): 0.9085 0.9085 0.9085 0.9085 4.6118 4.6118 4.6118 4.6118 7.5718 7.5718 7.5718 7.5718 8.0193 8.0193 8.0193 8.0193 8.7926 8.7926 8.7926 8.7926 8.9482 8.9482 8.9482 8.9482 9.1867 9.1867 9.1867 9.1867 11.0755 11.0755 11.0755 11.0755 12.4833 12.4833 12.4833 12.4833 15.8899 15.8899 k = 0.4468 0.2580 0.3833 ( 2142 PWs) bands (ev): 0.9437 0.9437 0.9437 0.9437 4.5600 4.5600 4.5600 4.5600 7.5697 7.5697 7.5697 7.5697 8.0126 8.0126 8.0126 8.0126 8.8036 8.8036 8.8036 8.8036 8.9528 8.9528 8.9528 8.9528 9.1606 9.1606 9.1606 9.1606 11.0595 11.0595 11.0595 11.0595 12.4914 12.4914 12.4914 12.4914 15.9251 15.9251 k = 0.4574 0.2641 0.3833 ( 2138 PWs) bands (ev): 0.9735 0.9735 0.9735 0.9735 4.5166 4.5166 4.5166 4.5166 7.5680 7.5680 7.5680 7.5680 8.0070 8.0070 8.0070 8.0070 8.8139 8.8139 8.8139 8.8139 8.9570 8.9570 8.9570 8.9570 9.1380 9.1380 9.1380 9.1380 11.0463 11.0463 11.0463 11.0463 12.4980 12.4980 12.4980 12.4980 15.9560 15.9560 k = 0.4681 0.2702 0.3833 ( 2146 PWs) bands (ev): 0.9973 0.9973 0.9973 0.9973 4.4822 4.4822 4.4822 4.4822 7.5667 7.5667 7.5667 7.5667 8.0026 8.0026 8.0026 8.0026 8.8227 8.8227 8.8227 8.8227 8.9605 8.9605 8.9605 8.9605 9.1191 9.1191 9.1191 9.1191 11.0360 11.0360 11.0360 11.0360 12.5031 12.5031 12.5031 12.5031 15.9815 15.9815 k = 0.4787 0.2764 0.3833 ( 2146 PWs) bands (ev): 1.0146 1.0146 1.0146 1.0146 4.4572 4.4572 4.4572 4.4572 7.5657 7.5657 7.5657 7.5657 7.9994 7.9994 7.9994 7.9994 8.8297 8.8297 8.8297 8.8297 8.9633 8.9633 8.9633 8.9633 9.1048 9.1048 9.1048 9.1048 11.0286 11.0286 11.0286 11.0286 12.5068 12.5068 12.5068 12.5068 16.0007 16.0007 k = 0.4894 0.2825 0.3833 ( 2144 PWs) bands (ev): 1.0252 1.0252 1.0252 1.0252 4.4421 4.4421 4.4421 4.4421 7.5651 7.5651 7.5651 7.5651 7.9974 7.9974 7.9974 7.9974 8.8343 8.8343 8.8343 8.8343 8.9653 8.9653 8.9653 8.9653 9.0957 9.0957 9.0957 9.0957 11.0242 11.0242 11.0242 11.0242 12.5090 12.5090 12.5090 12.5090 16.0126 16.0126 k = 0.5000 0.2887 0.3833 ( 2144 PWs) bands (ev): 1.0287 1.0287 1.0287 1.0287 4.4370 4.4370 4.4370 4.4370 7.5649 7.5649 7.5649 7.5649 7.9968 7.9968 7.9968 7.9968 8.8358 8.8358 8.8358 8.8358 8.9659 8.9659 8.9659 8.9659 9.0926 9.0926 9.0926 9.0926 11.0227 11.0227 11.0227 11.0227 12.5097 12.5097 12.5097 12.5097 16.0166 16.0166 k = 0.5000 0.2887 0.3833 ( 2144 PWs) bands (ev): 1.0287 1.0287 1.0287 1.0287 4.4370 4.4370 4.4370 4.4370 7.5649 7.5649 7.5649 7.5649 7.9968 7.9968 7.9968 7.9968 8.8358 8.8358 8.8358 8.8358 8.9659 8.9659 8.9659 8.9659 9.0926 9.0926 9.0926 9.0926 11.0227 11.0227 11.0227 11.0227 12.5097 12.5097 12.5097 12.5097 16.0166 16.0166 k = 0.4938 0.2994 0.3833 ( 2144 PWs) bands (ev): 1.0292 1.0292 1.0296 1.0296 4.4383 4.4383 4.4385 4.4385 7.5523 7.5523 7.5661 7.5661 7.9920 7.9920 8.0045 8.0045 8.8309 8.8309 8.8400 8.8400 8.9558 8.9558 8.9765 8.9765 9.0880 9.0880 9.0981 9.0981 11.0047 11.0047 11.0113 11.0113 12.5205 12.5205 12.5379 12.5379 16.0161 16.0161 k = 0.4877 0.3101 0.3833 ( 2140 PWs) bands (ev): 1.0311 1.0311 1.0319 1.0319 4.4424 4.4424 4.4430 4.4430 7.5292 7.5292 7.5558 7.5558 7.9906 7.9906 8.0144 8.0144 8.8255 8.8255 8.8432 8.8432 8.9462 8.9462 8.9870 8.9870 9.0845 9.0845 9.1044 9.1044 10.9605 10.9605 10.9722 10.9722 12.5684 12.5684 12.6021 12.6021 16.0216 16.0216 k = 0.4815 0.3208 0.3833 ( 2140 PWs) bands (ev): 1.0344 1.0344 1.0356 1.0356 4.4494 4.4494 4.4503 4.4503 7.4964 7.4964 7.5339 7.5339 7.9923 7.9923 8.0257 8.0257 8.8197 8.8197 8.8451 8.8451 8.9376 8.9376 8.9969 8.9969 9.0825 9.0825 9.1115 9.1115 10.8961 10.8961 10.9110 10.9110 12.6478 12.6478 12.6958 12.6958 16.0332 16.0332 k = 0.4753 0.3314 0.3833 ( 2148 PWs) bands (ev): 1.0390 1.0390 1.0406 1.0406 4.4592 4.4592 4.4604 4.4604 7.4549 7.4549 7.5012 7.5012 7.9965 7.9965 8.0375 8.0375 8.8136 8.8136 8.8455 8.8455 8.9299 8.9299 9.0053 9.0053 9.0826 9.0826 9.1194 9.1194 10.8183 10.8183 10.8346 10.8346 12.7515 12.7515 12.8122 12.8122 16.0509 16.0509 k = 0.4691 0.3421 0.3833 ( 2144 PWs) bands (ev): 1.0449 1.0449 1.0469 1.0469 4.4719 4.4719 4.4734 4.4734 7.4054 7.4054 7.4588 7.4588 8.0025 8.0025 8.0493 8.0493 8.8075 8.8075 8.8444 8.8444 8.9235 8.9235 9.0115 9.0115 9.0857 9.0857 9.1283 9.1283 10.7329 10.7329 10.7491 10.7491 12.8726 12.8726 12.9449 12.9449 16.0752 16.0752 k = 0.4630 0.3528 0.3833 ( 2140 PWs) bands (ev): 1.0521 1.0521 1.0545 1.0545 4.4873 4.4873 4.4892 4.4892 7.3486 7.3486 7.4075 7.4075 8.0094 8.0094 8.0606 8.0606 8.8014 8.8014 8.8417 8.8417 8.9181 8.9181 9.0147 9.0147 9.0923 9.0923 9.1382 9.1382 10.6441 10.6441 10.6592 10.6592 13.0059 13.0059 13.0890 13.0890 16.1061 16.1061 k = 0.4568 0.3635 0.3833 ( 2140 PWs) bands (ev): 1.0605 1.0605 1.0633 1.0633 4.5055 4.5055 4.5079 4.5079 7.2850 7.2850 7.3481 7.3481 8.0166 8.0166 8.0711 8.0711 8.7955 8.7955 8.8377 8.8377 8.9136 8.9136 9.0149 9.0149 9.1024 9.1024 9.1490 9.1490 10.5551 10.5551 10.5685 10.5685 13.1470 13.1470 13.2406 13.2406 16.1442 16.1442 k = 0.4506 0.3742 0.3833 ( 2142 PWs) bands (ev): 1.0701 1.0701 1.0733 1.0733 4.5264 4.5264 4.5294 4.5294 7.2151 7.2151 7.2816 7.2816 8.0236 8.0236 8.0806 8.0806 8.7897 8.7897 8.8325 8.8325 8.9096 8.9096 9.0129 9.0129 9.1152 9.1152 9.1608 9.1608 10.4680 10.4680 10.4793 10.4793 13.2926 13.2926 13.3966 13.3966 16.1899 16.1899 k = 0.4444 0.3849 0.3833 ( 2134 PWs) bands (ev): 1.0808 1.0808 1.0844 1.0844 4.5501 4.5501 4.5537 4.5537 7.1393 7.1393 7.2087 7.2087 8.0303 8.0303 8.0892 8.0892 8.7842 8.7842 8.8268 8.8268 8.9061 8.9061 9.0094 9.0094 9.1300 9.1300 9.1737 9.1737 10.3843 10.3843 10.3931 10.3931 13.4399 13.4399 13.5544 13.5544 16.2438 16.2438 k = 0.4383 0.3956 0.3833 ( 2134 PWs) bands (ev): 1.0926 1.0926 1.0965 1.0965 4.5763 4.5763 4.5807 4.5807 7.0581 7.0581 7.1298 7.1298 8.0363 8.0363 8.0967 8.0967 8.7790 8.7790 8.8207 8.8207 8.9024 8.9024 9.0048 9.0048 9.1463 9.1463 9.1874 9.1874 10.3046 10.3046 10.3109 10.3109 13.5866 13.5866 13.7116 13.7116 16.3065 16.3065 k = 0.4321 0.4063 0.3833 ( 2138 PWs) bands (ev): 1.1052 1.1052 1.1095 1.1095 4.6052 4.6052 4.6105 4.6105 6.9721 6.9721 7.0459 7.0459 8.0417 8.0417 8.1033 8.1033 8.7740 8.7740 8.8144 8.8144 8.8985 8.8985 8.9994 8.9994 9.1636 9.1636 9.2021 9.2021 10.2297 10.2297 10.2333 10.2333 13.7307 13.7307 13.8663 13.8663 16.3787 16.3787 k = 0.4259 0.4170 0.3833 ( 2140 PWs) bands (ev): 1.1187 1.1187 1.1233 1.1233 4.6366 4.6366 4.6429 4.6429 6.8819 6.8819 6.9576 6.9576 8.0464 8.0464 8.1089 8.1089 8.7696 8.7696 8.8084 8.8084 8.8945 8.8945 8.9936 8.9936 9.1819 9.1819 9.2176 9.2176 10.1596 10.1596 10.1605 10.1605 13.8704 13.8704 14.0164 14.0164 16.4608 16.4608 k = 0.4198 0.4277 0.3833 ( 2144 PWs) bands (ev): 1.1328 1.1328 1.1378 1.1378 4.6704 4.6704 4.6781 4.6781 6.7881 6.7881 6.8656 6.8656 8.0503 8.0503 8.1136 8.1136 8.7655 8.7655 8.8027 8.8027 8.8900 8.8900 8.9875 8.9875 9.2009 9.2009 9.2338 9.2338 10.0927 10.0927 10.0944 10.0944 14.0042 14.0042 14.1603 14.1603 16.5533 16.5533 k = 0.4136 0.4384 0.3833 ( 2140 PWs) bands (ev): 1.1475 1.1475 1.1529 1.1529 4.7066 4.7066 4.7158 4.7158 6.6914 6.6914 6.7709 6.7709 8.0537 8.0537 8.1176 8.1176 8.7619 8.7619 8.7976 8.7976 8.8854 8.8854 8.9813 8.9813 9.2205 9.2205 9.2507 9.2507 10.0298 10.0298 10.0342 10.0342 14.1308 14.1308 14.2965 14.2965 16.6565 16.6565 k = 0.4074 0.4491 0.3833 ( 2144 PWs) bands (ev): 1.1626 1.1626 1.1683 1.1683 4.7449 4.7449 4.7561 4.7561 6.5926 6.5926 6.6742 6.6742 8.0563 8.0563 8.1208 8.1208 8.7587 8.7587 8.7930 8.7930 8.8803 8.8803 8.9749 8.9749 9.2407 9.2407 9.2683 9.2683 9.9714 9.9714 9.9785 9.9785 14.2492 14.2492 14.4237 14.4237 16.7702 16.7702 k = 0.4012 0.4597 0.3833 ( 2142 PWs) bands (ev): 1.1780 1.1780 1.1840 1.1840 4.7854 4.7854 4.7989 4.7989 6.4923 6.4923 6.5765 6.5765 8.0585 8.0585 8.1234 8.1234 8.7561 8.7561 8.7891 8.7891 8.8749 8.8749 8.9685 8.9685 9.2613 9.2613 9.2863 9.2863 9.9175 9.9175 9.9273 9.9273 14.3586 14.3586 14.5409 14.5409 16.8938 16.8938 k = 0.3951 0.4704 0.3833 ( 2142 PWs) bands (ev): 1.1933 1.1933 1.1997 1.1997 4.8276 4.8276 4.8441 4.8441 6.3914 6.3914 6.4785 6.4785 8.0601 8.0601 8.1254 8.1254 8.7539 8.7539 8.7860 8.7860 8.8692 8.8692 8.9622 8.9622 9.2824 9.2824 9.3048 9.3048 9.8677 9.8677 9.8801 9.8801 14.4585 14.4585 14.6476 14.6476 17.0263 17.0263 k = 0.3889 0.4811 0.3833 ( 2142 PWs) bands (ev): 1.2086 1.2086 1.2153 1.2153 4.8714 4.8714 4.8915 4.8915 6.2907 6.2907 6.3814 6.3814 8.0613 8.0613 8.1269 8.1269 8.7521 8.7521 8.7836 8.7836 8.8633 8.8633 8.9560 8.9560 9.3040 9.3040 9.3237 9.3237 9.8215 9.8215 9.8367 9.8367 14.5486 14.5486 14.7436 14.7436 17.1658 17.1658 k = 0.3827 0.4918 0.3833 ( 2138 PWs) bands (ev): 1.2234 1.2234 1.2304 1.2304 4.9164 4.9164 4.9411 4.9411 6.1909 6.1909 6.2861 6.2861 8.0622 8.0622 8.1281 8.1281 8.7508 8.7508 8.7822 8.7822 8.8573 8.8573 8.9501 8.9501 9.3259 9.3259 9.3428 9.3428 9.7787 9.7787 9.7968 9.7968 14.6288 14.6288 14.8286 14.8286 17.3102 17.3102 k = 0.3765 0.5025 0.3833 ( 2142 PWs) bands (ev): 1.2376 1.2376 1.2449 1.2449 4.9621 4.9621 4.9925 4.9925 6.0930 6.0930 6.1939 6.1939 8.0627 8.0627 8.1288 8.1288 8.7499 8.7499 8.7816 8.7816 8.8510 8.8510 8.9444 8.9444 9.3481 9.3481 9.3621 9.3621 9.7389 9.7389 9.7601 9.7601 14.6992 14.6992 14.9030 14.9030 17.4565 17.4565 k = 0.3704 0.5132 0.3833 ( 2142 PWs) bands (ev): 1.2509 1.2509 1.2584 1.2584 5.0077 5.0077 5.0454 5.0454 5.9980 5.9980 6.1061 6.1061 8.0630 8.0630 8.1293 8.1293 8.7494 8.7494 8.7819 8.7819 8.8446 8.8446 8.9391 8.9391 9.3706 9.3706 9.3812 9.3812 9.7020 9.7020 9.7267 9.7267 14.7599 14.7599 14.9669 14.9669 17.6015 17.6015 k = 0.3642 0.5239 0.3833 ( 2146 PWs) bands (ev): 1.2630 1.2630 1.2707 1.2707 5.0522 5.0522 5.0994 5.0994 5.9069 5.9069 6.0244 6.0244 8.0630 8.0630 8.1295 8.1295 8.7492 8.7492 8.7832 8.7832 8.8382 8.8382 8.9344 8.9344 9.3932 9.3932 9.4000 9.4000 9.6677 9.6677 9.6963 9.6963 14.8110 14.8110 15.0205 15.0205 17.7415 17.7415 k = 0.3580 0.5346 0.3833 ( 2150 PWs) bands (ev): 1.2737 1.2737 1.2815 1.2815 5.0941 5.0941 5.1535 5.1535 5.8213 5.8213 5.9509 5.9509 8.0629 8.0629 8.1295 8.1295 8.7492 8.7492 8.7853 8.7853 8.8317 8.8317 8.9302 8.9302 9.4160 9.4160 9.4180 9.4180 9.6359 9.6359 9.6693 9.6693 14.8526 14.8526 15.0641 15.0641 17.8725 17.8725 k = 0.3519 0.5453 0.3833 ( 2150 PWs) bands (ev): 1.2825 1.2825 1.2905 1.2905 5.1313 5.1313 5.2060 5.2060 5.7434 5.7434 5.8883 5.8883 8.0628 8.0628 8.1294 8.1294 8.7495 8.7495 8.7883 8.7883 8.8253 8.8253 8.9267 8.9267 9.4346 9.4346 9.4386 9.4386 9.6065 9.6065 9.6459 9.6459 14.8849 14.8849 15.0979 15.0979 17.9899 17.9899 k = 0.3457 0.5560 0.3833 ( 2150 PWs) bands (ev): 1.2893 1.2893 1.2974 1.2974 5.1610 5.1610 5.2536 5.2536 5.6770 5.6770 5.8398 5.8398 8.0626 8.0626 8.1293 8.1293 8.7498 8.7498 8.7920 8.7920 8.8191 8.8191 8.9241 8.9241 9.4486 9.4486 9.4604 9.4604 9.5800 9.5800 9.6273 9.6273 14.9079 14.9079 15.1220 15.1220 18.0879 18.0879 k = 0.3395 0.5667 0.3833 ( 2150 PWs) bands (ev): 1.2935 1.2935 1.3017 1.3017 5.1802 5.1802 5.2895 5.2895 5.6296 5.6296 5.8090 5.8090 8.0625 8.0625 8.1292 8.1292 8.7500 8.7500 8.7962 8.7962 8.8134 8.8134 8.9224 8.9224 9.4582 9.4582 9.4792 9.4792 9.5584 9.5584 9.6150 9.6150 14.9216 14.9216 15.1364 15.1364 18.1395 18.1508 k = 0.3333 0.5774 0.3833 ( 2154 PWs) bands (ev): 1.2950 1.2950 1.3032 1.3032 5.1867 5.1867 5.3033 5.3033 5.6118 5.6118 5.7986 5.7986 8.0624 8.0624 8.1292 8.1292 8.7501 8.7501 8.7987 8.7987 8.8104 8.8104 8.9218 8.9218 9.4617 9.4617 9.4881 9.4881 9.5486 9.5486 9.6106 9.6106 14.9261 14.9261 15.1411 15.1411 18.1507 18.1507 k = 0.3333 0.5774 0.3833 ( 2154 PWs) bands (ev): 1.2950 1.2950 1.3032 1.3032 5.1867 5.1867 5.3033 5.3033 5.6118 5.6118 5.7986 5.7986 8.0624 8.0624 8.1292 8.1292 8.7501 8.7501 8.7987 8.7987 8.8104 8.8104 8.9218 8.9218 9.4617 9.4617 9.4881 9.4881 9.5486 9.5486 9.6106 9.6106 14.9261 14.9261 15.1411 15.1411 18.1507 18.1508 k = 0.3272 0.5667 0.3833 ( 2150 PWs) bands (ev): 1.2934 1.2934 1.3016 1.3016 5.1808 5.1808 5.2905 5.2905 5.6288 5.6288 5.8086 5.8086 8.0625 8.0625 8.1292 8.1292 8.7500 8.7500 8.7959 8.7959 8.8137 8.8137 8.9224 8.9224 9.4584 9.4584 9.4795 9.4795 9.5581 9.5581 9.6148 9.6148 14.9216 14.9216 15.1364 15.1364 18.1413 18.1413 k = 0.3210 0.5560 0.3833 ( 2150 PWs) bands (ev): 1.2884 1.2884 1.2965 1.2965 5.1652 5.1652 5.2600 5.2600 5.6717 5.6717 5.8367 5.8367 8.0627 8.0627 8.1295 8.1295 8.7495 8.7495 8.7906 8.7906 8.8205 8.8205 8.9243 8.9243 9.4496 9.4496 9.4620 9.4620 9.5782 9.5782 9.6262 9.6262 14.9082 14.9082 15.1223 15.1223 18.1111 18.1111 k = 0.3148 0.5453 0.3833 ( 2146 PWs) bands (ev): 1.2798 1.2798 1.2878 1.2878 5.1440 5.1440 5.2234 5.2234 5.7294 5.7294 5.8789 5.8789 8.0631 8.0631 8.1298 8.1298 8.7487 8.7487 8.7848 8.7848 8.8288 8.8288 8.9275 8.9275 9.4375 9.4375 9.4428 9.4428 9.6019 9.6019 9.6427 9.6427 14.8862 14.8862 15.0991 15.0991 18.0495 18.0495 k = 0.3086 0.5346 0.3833 ( 2146 PWs) bands (ev): 1.2673 1.2673 1.2751 1.2751 5.1212 5.1212 5.1875 5.1875 5.7952 5.7952 5.9317 5.9317 8.0638 8.0638 8.1303 8.1303 8.7474 8.7474 8.7789 8.7789 8.8381 8.8381 8.9320 8.9320 9.4237 9.4237 9.4238 9.4238 9.6272 9.6272 9.6625 9.6625 14.8558 14.8558 15.0670 15.0670 17.9825 17.9825 k = 0.3025 0.5239 0.3833 ( 2142 PWs) bands (ev): 1.2508 1.2508 1.2584 1.2584 5.0998 5.0998 5.1558 5.1558 5.8659 5.8659 5.9921 5.9921 8.0647 8.0647 8.1311 8.1311 8.7456 8.7456 8.7731 8.7731 8.8481 8.8481 8.9377 8.9377 9.4058 9.4058 9.4099 9.4099 9.6535 9.6535 9.6846 9.6846 14.8176 14.8176 15.0267 15.0267 17.9122 17.9122 k = 0.2963 0.5132 0.3833 ( 2138 PWs) bands (ev): 1.2301 1.2301 1.2374 1.2374 5.0818 5.0818 5.1298 5.1298 5.9397 5.9397 6.0581 6.0581 8.0659 8.0659 8.1321 8.1321 8.7435 8.7435 8.7675 8.7675 8.8587 8.8587 8.9445 8.9445 9.3892 9.3892 9.3964 9.3964 9.6806 9.6806 9.7083 9.7083 14.7720 14.7720 14.9786 14.9786 17.8395 17.8395 k = 0.2901 0.5025 0.3833 ( 2146 PWs) bands (ev): 1.2051 1.2051 1.2122 1.2122 5.0686 5.0686 5.1106 5.1106 6.0158 6.0158 6.1281 6.1281 8.0673 8.0673 8.1333 8.1333 8.7409 8.7409 8.7621 8.7621 8.8697 8.8697 8.9520 8.9520 9.3743 9.3743 9.3838 9.3838 9.7084 9.7084 9.7334 9.7334 14.7196 14.7196 14.9234 14.9234 17.7647 17.7647 k = 0.2840 0.4918 0.3833 ( 2150 PWs) bands (ev): 1.1760 1.1760 1.1828 1.1828 5.0612 5.0612 5.0985 5.0985 6.0934 6.0934 6.2011 6.2011 8.0691 8.0691 8.1347 8.1347 8.7380 8.7380 8.7568 8.7568 8.8809 8.8809 8.9601 8.9601 9.3617 9.3617 9.3729 9.3729 9.7369 9.7369 9.7596 9.7596 14.6610 14.6610 14.8617 14.8617 17.6880 17.6880 k = 0.2778 0.4811 0.3833 ( 2144 PWs) bands (ev): 1.1428 1.1428 1.1492 1.1492 5.0602 5.0602 5.0939 5.0939 6.1721 6.1721 6.2762 6.2762 8.0713 8.0713 8.1365 8.1365 8.7348 8.7348 8.7519 8.7519 8.8922 8.8922 8.9684 8.9684 9.3519 9.3519 9.3642 9.3642 9.7662 9.7662 9.7868 9.7868 14.5969 14.5969 14.7943 14.7943 17.6096 17.6096 k = 0.2716 0.4704 0.3833 ( 2148 PWs) bands (ev): 1.1057 1.1057 1.1117 1.1117 5.0658 5.0658 5.0967 5.0967 6.2515 6.2515 6.3527 6.3527 8.0738 8.0738 8.1385 8.1385 8.7314 8.7314 8.7472 8.7472 8.9030 8.9030 8.9761 8.9761 9.3456 9.3456 9.3581 9.3581 9.7961 9.7961 9.8150 9.8150 14.5279 14.5279 14.7220 14.7220 17.5300 17.5300 k = 0.2654 0.4597 0.3833 ( 2156 PWs) bands (ev): 1.0648 1.0648 1.0704 1.0704 5.0780 5.0780 5.1068 5.1068 6.3311 6.3311 6.4302 6.4302 8.0766 8.0766 8.1407 8.1407 8.7278 8.7278 8.7427 8.7427 8.9128 8.9128 8.9829 8.9829 9.3434 9.3434 9.3555 9.3555 9.8268 9.8268 9.8440 9.8440 14.4546 14.4546 14.6454 14.6454 17.4495 17.4495 k = 0.2593 0.4491 0.3833 ( 2152 PWs) bands (ev): 1.0204 1.0204 1.0257 1.0257 5.0969 5.0969 5.1241 5.1241 6.4107 6.4107 6.5080 6.5080 8.0799 8.0799 8.1431 8.1431 8.7241 8.7241 8.7386 8.7386 8.9214 8.9214 8.9880 8.9880 9.3463 9.3463 9.3571 9.3571 9.8585 9.8585 9.8742 9.8742 14.3778 14.3778 14.5652 14.5652 17.3685 17.3685 k = 0.2531 0.4384 0.3833 ( 2152 PWs) bands (ev): 0.9728 0.9728 0.9777 0.9777 5.1224 5.1224 5.1483 5.1483 6.4899 6.4899 6.5857 6.5857 8.0836 8.0836 8.1459 8.1459 8.7203 8.7203 8.7349 8.7349 8.9282 8.9282 8.9908 8.9908 9.3550 9.3550 9.3635 9.3635 9.8910 9.8910 9.9054 9.9054 14.2979 14.2979 14.4821 14.4821 17.2877 17.2877 k = 0.2469 0.4277 0.3833 ( 2148 PWs) bands (ev): 0.9224 0.9224 0.9269 0.9269 5.1541 5.1541 5.1790 5.1790 6.5682 6.5682 6.6628 6.6628 8.0876 8.0876 8.1488 8.1488 8.7166 8.7166 8.7314 8.7314 8.9328 8.9328 8.9913 8.9913 9.3699 9.3699 9.3754 9.3754 9.9246 9.9246 9.9376 9.9376 14.2155 14.2155 14.3966 14.3966 17.2072 17.2072 k = 0.2407 0.4170 0.3833 ( 2144 PWs) bands (ev): 0.8695 0.8695 0.8736 0.8736 5.1919 5.1919 5.2160 5.2160 6.6455 6.6455 6.7389 6.7389 8.0921 8.0921 8.1519 8.1519 8.7128 8.7128 8.7284 8.7284 8.9349 8.9349 8.9891 8.9891 9.3915 9.3915 9.3934 9.3934 9.9592 9.9592 9.9709 9.9709 14.1312 14.1312 14.3094 14.3094 17.1276 17.1276 k = 0.2346 0.4063 0.3833 ( 2144 PWs) bands (ev): 0.8143 0.8143 0.8181 0.8181 5.2353 5.2353 5.2589 5.2589 6.7212 6.7212 6.8135 6.8135 8.0968 8.0968 8.1552 8.1552 8.7090 8.7090 8.7257 8.7257 8.9344 8.9344 8.9843 8.9843 9.4177 9.4177 9.4197 9.4197 9.9950 9.9950 10.0054 10.0054 14.0454 14.0454 14.2208 14.2208 17.0491 17.0491 k = 0.2284 0.3956 0.3833 ( 2152 PWs) bands (ev): 0.7574 0.7574 0.7608 0.7608 5.2840 5.2840 5.3072 5.3072 6.7950 6.7950 6.8862 6.8862 8.1019 8.1019 8.1586 8.1586 8.7052 8.7052 8.7233 8.7233 8.9315 8.9315 8.9775 8.9775 9.4484 9.4484 9.4545 9.4545 10.0319 10.0319 10.0410 10.0410 13.9585 13.9585 14.1315 14.1315 16.9721 16.9721 k = 0.2222 0.3849 0.3833 ( 2152 PWs) bands (ev): 0.6990 0.6990 0.7021 0.7021 5.3377 5.3377 5.3606 5.3606 6.8667 6.8667 6.9566 6.9566 8.1074 8.1074 8.1620 8.1620 8.7016 8.7016 8.7213 8.7213 8.9265 8.9265 8.9692 8.9692 9.4857 9.4857 9.4957 9.4957 10.0704 10.0704 10.0780 10.0780 13.8710 13.8710 14.0417 14.0417 16.8968 16.8968 k = 0.2160 0.3742 0.3833 ( 2154 PWs) bands (ev): 0.6394 0.6394 0.6423 0.6423 5.3959 5.3959 5.4186 5.4186 6.9358 6.9358 7.0243 7.0243 8.1131 8.1131 8.1654 8.1654 8.6979 8.6979 8.7196 8.7196 8.9197 8.9197 8.9596 8.9596 9.5295 9.5295 9.5430 9.5430 10.1103 10.1103 10.1165 10.1165 13.7831 13.7831 13.9519 13.9519 16.8233 16.8233 k = 0.2099 0.3635 0.3833 ( 2150 PWs) bands (ev): 0.5791 0.5791 0.5816 0.5816 5.4584 5.4584 5.4809 5.4809 7.0021 7.0021 7.0890 7.0890 8.1190 8.1190 8.1689 8.1689 8.6945 8.6945 8.7183 8.7183 8.9116 8.9116 8.9493 8.9493 9.5794 9.5794 9.5963 9.5963 10.1519 10.1519 10.1564 10.1564 13.6954 13.6954 13.8625 13.8625 16.7520 16.7520 k = 0.2037 0.3528 0.3833 ( 2148 PWs) bands (ev): 0.5182 0.5182 0.5205 0.5205 5.5247 5.5247 5.5471 5.5471 7.0653 7.0653 7.1503 7.1503 8.1252 8.1252 8.1722 8.1722 8.6911 8.6911 8.7175 8.7175 8.9025 8.9025 8.9385 8.9385 9.6353 9.6353 9.6552 9.6552 10.1953 10.1953 10.1979 10.1979 13.6079 13.6079 13.7737 13.7737 16.6829 16.6829 k = 0.1975 0.3421 0.3833 ( 2142 PWs) bands (ev): 0.4571 0.4571 0.4591 0.4591 5.5944 5.5944 5.6167 5.6167 7.1252 7.1252 7.2080 7.2080 8.1315 8.1315 8.1754 8.1754 8.6879 8.6879 8.7169 8.7169 8.8928 8.8928 8.9277 8.9277 9.6971 9.6971 9.7196 9.7196 10.2408 10.2408 10.2411 10.2411 13.5212 13.5212 13.6859 13.6859 16.6162 16.6162 k = 0.1914 0.3314 0.3833 ( 2150 PWs) bands (ev): 0.3960 0.3960 0.3978 0.3978 5.6672 5.6672 5.6894 5.6894 7.1815 7.1815 7.2619 7.2619 8.1377 8.1377 8.1784 8.1784 8.6849 8.6849 8.7167 8.7167 8.8824 8.8824 8.9167 8.9167 9.7643 9.7643 9.7890 9.7890 10.2860 10.2860 10.2885 10.2885 13.4355 13.4355 13.5994 13.5994 16.5520 16.5520 k = 0.1852 0.3208 0.3833 ( 2150 PWs) bands (ev): 0.3352 0.3352 0.3368 0.3368 5.7427 5.7427 5.7648 5.7648 7.2342 7.2342 7.3119 7.3119 8.1439 8.1439 8.1811 8.1811 8.6821 8.6821 8.7169 8.7169 8.8720 8.8720 8.9060 8.9060 9.8369 9.8369 9.8631 9.8631 10.3328 10.3328 10.3388 10.3388 13.3510 13.3510 13.5145 13.5145 16.4905 16.4905 k = 0.1790 0.3101 0.3833 ( 2146 PWs) bands (ev): 0.2749 0.2749 0.2763 0.2763 5.8206 5.8206 5.8425 5.8425 7.2833 7.2833 7.3580 7.3580 8.1499 8.1499 8.1835 8.1835 8.6796 8.6796 8.7173 8.7173 8.8617 8.8617 8.8958 8.8958 9.9143 9.9143 9.9413 9.9413 10.3817 10.3817 10.3921 10.3921 13.2681 13.2681 13.4316 13.4316 16.4318 16.4318 k = 0.1728 0.2994 0.3833 ( 2146 PWs) bands (ev): 0.2153 0.2153 0.2165 0.2165 5.9005 5.9005 5.9223 5.9223 7.3287 7.3287 7.4001 7.4001 8.1556 8.1556 8.1855 8.1855 8.6774 8.6774 8.7181 8.7181 8.8516 8.8516 8.8860 8.8860 9.9961 9.9961 10.0229 10.0229 10.4329 10.4329 10.4488 10.4488 13.1870 13.1870 13.3509 13.3509 16.3759 16.3759 k = 0.1667 0.2887 0.3833 ( 2146 PWs) bands (ev): 0.1566 0.1566 0.1577 0.1577 5.9820 5.9820 6.0036 6.0036 7.3704 7.3704 7.4383 7.4383 8.1608 8.1608 8.1871 8.1871 8.6756 8.6756 8.7191 8.7191 8.8419 8.8419 8.8768 8.8768 10.0816 10.0816 10.1068 10.1068 10.4865 10.4865 10.5098 10.5098 13.1080 13.1080 13.2728 13.2728 16.3231 16.3231 k = 0.1605 0.2780 0.3833 ( 2140 PWs) bands (ev): 0.0989 0.0989 0.0999 0.0999 6.0649 6.0649 6.0863 6.0863 7.4085 7.4085 7.4728 7.4728 8.1655 8.1655 8.1881 8.1881 8.6743 8.6743 8.7204 8.7204 8.8327 8.8327 8.8683 8.8683 10.1701 10.1701 10.1919 10.1919 10.5431 10.5431 10.5757 10.5757 13.0316 13.0316 13.1976 13.1976 16.2734 16.2734 k = 0.1543 0.2673 0.3833 ( 2148 PWs) bands (ev): 0.0425 0.0425 0.0434 0.0434 6.1488 6.1488 6.1699 6.1699 7.4431 7.4431 7.5037 7.5037 8.1695 8.1695 8.1886 8.1886 8.6734 8.6734 8.7218 8.7218 8.8240 8.8240 8.8603 8.8603 10.2604 10.2604 10.2768 10.2768 10.6031 10.6031 10.6476 10.6476 12.9580 12.9580 13.1258 13.1258 16.2269 16.2269 k = 0.1481 0.2566 0.3833 ( 2152 PWs) bands (ev): -0.0125 -0.0125 -0.0118 -0.0118 6.2333 6.2333 6.2541 6.2541 7.4744 7.4744 7.5312 7.5312 8.1727 8.1727 8.1885 8.1885 8.6731 8.6731 8.7235 8.7235 8.8160 8.8160 8.8530 8.8530 10.3512 10.3512 10.3599 10.3599 10.6674 10.6674 10.7263 10.7263 12.8876 12.8876 13.0577 13.0577 16.1838 16.1838 k = 0.1420 0.2459 0.3833 ( 2152 PWs) bands (ev): -0.0661 -0.0661 -0.0655 -0.0655 6.3181 6.3181 6.3386 6.3386 7.5026 7.5026 7.5557 7.5557 8.1751 8.1751 8.1878 8.1878 8.6734 8.6734 8.7253 8.7253 8.8088 8.8088 8.8463 8.8463 10.4401 10.4401 10.4407 10.4407 10.7370 10.7370 10.8126 10.8126 12.8209 12.8209 12.9939 12.9939 16.1441 16.1441 k = 0.1358 0.2352 0.3833 ( 2152 PWs) bands (ev): -0.1180 -0.1180 -0.1175 -0.1175 6.4030 6.4030 6.4231 6.4231 7.5279 7.5279 7.5772 7.5772 8.1764 8.1764 8.1865 8.1865 8.6743 8.6743 8.7272 8.7272 8.8023 8.8023 8.8402 8.8402 10.5162 10.5162 10.5267 10.5267 10.8133 10.8133 10.9066 10.9066 12.7583 12.7583 12.9348 12.9348 16.1081 16.1081 k = 0.1296 0.2245 0.3833 ( 2144 PWs) bands (ev): -0.1682 -0.1682 -0.1678 -0.1678 6.4877 6.4877 6.5072 6.5072 7.5505 7.5505 7.5962 7.5962 8.1768 8.1768 8.1845 8.1845 8.6760 8.6760 8.7293 8.7293 8.7966 8.7966 8.8347 8.8347 10.5880 10.5880 10.6074 10.6074 10.8973 10.8973 11.0079 11.0079 12.7005 12.7005 12.8810 12.8810 16.0759 16.0759 k = 0.1235 0.2138 0.3833 ( 2144 PWs) bands (ev): -0.2166 -0.2166 -0.2162 -0.2162 6.5717 6.5717 6.5908 6.5908 7.5705 7.5705 7.6127 7.6127 8.1762 8.1762 8.1818 8.1818 8.6783 8.6783 8.7313 8.7313 8.7916 8.7916 8.8297 8.8297 10.6553 10.6553 10.6813 10.6813 10.9894 10.9894 11.1155 11.1155 12.6481 12.6481 12.8332 12.8332 16.0477 16.0477 k = 0.1173 0.2031 0.3833 ( 2144 PWs) bands (ev): -0.2631 -0.2631 -0.2628 -0.2628 6.6548 6.6548 6.6733 6.6733 7.5882 7.5882 7.6270 7.6270 8.1745 8.1745 8.1785 8.1785 8.6812 8.6812 8.7334 8.7334 8.7874 8.7874 8.8251 8.8251 10.7182 10.7182 10.7480 10.7480 11.0889 11.0889 11.2283 11.2283 12.6017 12.6017 12.7920 12.7920 16.0236 16.0236 k = 0.1111 0.1925 0.3833 ( 2148 PWs) bands (ev): -0.3076 -0.3076 -0.3073 -0.3073 6.7367 6.7367 6.7546 6.7546 7.6038 7.6038 7.6393 7.6393 8.1718 8.1718 8.1744 8.1744 8.6846 8.6846 8.7354 8.7354 8.7839 8.7839 8.8208 8.8208 10.7765 10.7765 10.8076 10.8076 11.1943 11.1943 11.3450 11.3450 12.5623 12.5623 12.7581 12.7581 16.0039 16.0039 k = 0.1049 0.1818 0.3833 ( 2144 PWs) bands (ev): -0.3500 -0.3500 -0.3498 -0.3498 6.8171 6.8171 6.8344 6.8344 7.6175 7.6175 7.6499 7.6499 8.1682 8.1682 8.1698 8.1698 8.6887 8.6887 8.7373 8.7373 8.7813 8.7813 8.8169 8.8169 10.8302 10.8302 10.8606 10.8606 11.3042 11.3042 11.4643 11.4643 12.5307 12.5307 12.7321 12.7321 15.9887 15.9887 k = 0.0988 0.1711 0.3833 ( 2144 PWs) bands (ev): -0.3903 -0.3903 -0.3902 -0.3902 6.8958 6.8958 6.9123 6.9123 7.6294 7.6294 7.6590 7.6590 8.1635 8.1635 8.1644 8.1644 8.6931 8.6931 8.7391 8.7391 8.7792 8.7792 8.8133 8.8133 10.8788 10.8788 10.9070 10.9070 11.4172 11.4172 11.5851 11.5851 12.5078 12.5078 12.7145 12.7145 15.9782 15.9782 k = 0.0926 0.1604 0.3833 ( 2144 PWs) bands (ev): -0.4285 -0.4285 -0.4283 -0.4283 6.9724 6.9724 6.9882 6.9882 7.6399 7.6399 7.6667 7.6667 8.1580 8.1580 8.1584 8.1584 8.6979 8.6979 8.7408 8.7408 8.7778 8.7778 8.8100 8.8100 10.9218 10.9218 10.9469 10.9469 11.5321 11.5321 11.7060 11.7060 12.4945 12.4945 12.7057 12.7057 15.9727 15.9727 k = 0.0864 0.1497 0.3833 ( 2144 PWs) bands (ev): -0.4643 -0.4643 -0.4642 -0.4642 7.0467 7.0467 7.0616 7.0616 7.6489 7.6489 7.6731 7.6731 8.1516 8.1516 8.1517 8.1517 8.7030 8.7030 8.7424 8.7424 8.7768 8.7768 8.8068 8.8068 10.9589 10.9589 10.9802 10.9802 11.6480 11.6480 11.8259 11.8259 12.4917 12.4917 12.7058 12.7058 15.9723 15.9723 k = 0.0802 0.1390 0.3833 ( 2140 PWs) bands (ev): -0.4979 -0.4979 -0.4978 -0.4978 7.1184 7.1184 7.1325 7.1325 7.6568 7.6568 7.6786 7.6786 8.1443 8.1443 8.1444 8.1444 8.7084 8.7084 8.7439 8.7439 8.7763 8.7763 8.8037 8.8037 10.9897 10.9897 11.0070 11.0070 11.7638 11.7638 11.9434 11.9434 12.5002 12.5002 12.7145 12.7145 15.9771 15.9771 k = 0.0741 0.1283 0.3833 ( 2142 PWs) bands (ev): -0.5292 -0.5292 -0.5291 -0.5291 7.1873 7.1873 7.2005 7.2005 7.6636 7.6636 7.6831 7.6831 8.1363 8.1363 8.1364 8.1364 8.7138 8.7138 8.7453 8.7453 8.7761 8.7761 8.8007 8.8007 11.0140 11.0140 11.0276 11.0276 11.8789 11.8789 12.0567 12.0567 12.5204 12.5204 12.7313 12.7313 15.9871 15.9871 k = 0.0679 0.1176 0.3833 ( 2142 PWs) bands (ev): -0.5581 -0.5581 -0.5580 -0.5580 7.2530 7.2530 7.2652 7.2652 7.6696 7.6696 7.6869 7.6869 8.1275 8.1275 8.1277 8.1277 8.7193 8.7193 8.7466 8.7466 8.7762 8.7762 8.7978 8.7978 11.0322 11.0322 11.0423 11.0423 11.9924 11.9924 12.1639 12.1639 12.5529 12.5529 12.7553 12.7553 16.0021 16.0021 k = 0.0617 0.1069 0.3833 ( 2146 PWs) bands (ev): -0.5846 -0.5846 -0.5845 -0.5845 7.3153 7.3153 7.3265 7.3265 7.6748 7.6748 7.6901 7.6901 8.1181 8.1181 8.1182 8.1182 8.7247 8.7247 8.7479 8.7479 8.7763 8.7763 8.7950 8.7950 11.0446 11.0446 11.0518 11.0518 12.1032 12.1032 12.2629 12.2629 12.5976 12.5976 12.7852 12.7852 16.0216 16.0216 k = 0.0556 0.0962 0.3833 ( 2150 PWs) bands (ev): -0.6086 -0.6086 -0.6086 -0.6086 7.3738 7.3738 7.3839 7.3839 7.6796 7.6796 7.6929 7.6929 8.1081 8.1081 8.1081 8.1081 8.7300 8.7300 8.7492 8.7492 8.7765 8.7765 8.7922 8.7922 11.0520 11.0520 11.0569 11.0569 12.2103 12.2103 12.3520 12.3520 12.6538 12.6538 12.8199 12.8199 16.0444 16.0444 k = 0.0494 0.0855 0.3833 ( 2150 PWs) bands (ev): -0.6302 -0.6302 -0.6302 -0.6302 7.4282 7.4282 7.4372 7.4372 7.6840 7.6840 7.6953 7.6953 8.0975 8.0975 8.0976 8.0976 8.7353 8.7353 8.7505 8.7505 8.7767 8.7767 8.7894 8.7894 11.0553 11.0553 11.0586 11.0586 12.3122 12.3122 12.4304 12.4304 12.7194 12.7194 12.8578 12.8578 16.0688 16.0688 k = 0.0432 0.0748 0.3833 ( 2154 PWs) bands (ev): -0.6493 -0.6493 -0.6493 -0.6493 7.4781 7.4781 7.4858 7.4858 7.6883 7.6883 7.6978 7.6978 8.0864 8.0864 8.0865 8.0865 8.7402 8.7402 8.7519 8.7519 8.7768 8.7768 8.7867 8.7867 11.0556 11.0556 11.0576 11.0576 12.4073 12.4073 12.4988 12.4988 12.7904 12.7904 12.8977 12.8977 16.0913 16.0913 k = 0.0370 0.0642 0.3833 ( 2154 PWs) bands (ev): -0.6659 -0.6659 -0.6659 -0.6659 7.5229 7.5229 7.5292 7.5292 7.6929 7.6929 7.7005 7.7005 8.0750 8.0750 8.0752 8.0752 8.7448 8.7448 8.7533 8.7533 8.7767 8.7767 8.7840 8.7840 11.0537 11.0537 11.0549 11.0549 12.4936 12.4936 12.5584 12.5584 12.8622 12.8622 12.9385 12.9385 16.1073 16.1073 k = 0.0309 0.0535 0.3833 ( 2152 PWs) bands (ev): -0.6800 -0.6800 -0.6800 -0.6800 7.5618 7.5618 7.5666 7.5666 7.6982 7.6982 7.7038 7.7038 8.0636 8.0636 8.0638 8.0638 8.7491 8.7491 8.7549 8.7549 8.7764 8.7764 8.7815 8.7815 11.0506 11.0506 11.0512 11.0512 12.5690 12.5690 12.6102 12.6102 12.9301 12.9301 12.9789 12.9789 16.1116 16.1116 k = 0.0247 0.0428 0.3833 ( 2152 PWs) bands (ev): -0.6915 -0.6915 -0.6915 -0.6915 7.5937 7.5937 7.5969 7.5969 7.7045 7.7045 7.7081 7.7081 8.0527 8.0527 8.0528 8.0528 8.7529 8.7529 8.7565 8.7565 8.7758 8.7758 8.7791 8.7791 11.0470 11.0470 11.0473 11.0473 12.6316 12.6316 12.6542 12.6542 12.9905 12.9905 13.0175 13.0175 16.1022 16.1022 k = 0.0185 0.0321 0.3833 ( 2152 PWs) bands (ev): -0.7005 -0.7005 -0.7005 -0.7005 7.6179 7.6179 7.6195 7.6195 7.7119 7.7119 7.7137 7.7137 8.0428 8.0428 8.0429 8.0429 8.7562 8.7562 8.7581 8.7581 8.7751 8.7751 8.7768 8.7768 11.0436 11.0436 11.0437 11.0437 12.6800 12.6800 12.6900 12.6900 13.0403 13.0403 13.0523 13.0523 16.0824 16.0825 k = 0.0123 0.0214 0.3833 ( 2156 PWs) bands (ev): -0.7069 -0.7069 -0.7069 -0.7069 7.6337 7.6337 7.6343 7.6343 7.7195 7.7195 7.7201 7.7201 8.0348 8.0348 8.0348 8.0348 8.7589 8.7589 8.7596 8.7596 8.7742 8.7742 8.7749 8.7749 11.0408 11.0408 11.0408 11.0408 12.7139 12.7139 12.7169 12.7169 13.0770 13.0770 13.0807 13.0807 16.0600 16.0605 k = 0.0062 0.0107 0.3833 ( 2148 PWs) bands (ev): -0.7108 -0.7108 -0.7108 -0.7108 7.6424 7.6424 7.6425 7.6425 7.7254 7.7254 7.7255 7.7255 8.0294 8.0294 8.0294 8.0294 8.7608 8.7608 8.7609 8.7609 8.7736 8.7736 8.7737 8.7737 11.0389 11.0389 11.0389 11.0389 12.7335 12.7335 12.7339 12.7339 13.0992 13.0992 13.0997 13.0997 16.0426 16.0427 k = 0.0000 0.0000 0.3833 ( 2144 PWs) bands (ev): -0.7121 -0.7121 -0.7121 -0.7121 7.6450 7.6450 7.6450 7.6450 7.7276 7.7276 7.7276 7.7276 8.0275 8.0275 8.0275 8.0275 8.7614 8.7614 8.7614 8.7614 8.7733 8.7733 8.7733 8.7733 11.0383 11.0383 11.0383 11.0383 12.7398 12.7398 12.7398 12.7398 13.1065 13.1065 13.1065 13.1065 16.0360 16.0360 k = 0.5000 0.2887 0.3833 ( 2144 PWs) bands (ev): 1.0287 1.0287 1.0287 1.0287 4.4370 4.4370 4.4370 4.4370 7.5649 7.5649 7.5649 7.5649 7.9968 7.9968 7.9968 7.9968 8.8358 8.8358 8.8358 8.8358 8.9659 8.9659 8.9659 8.9659 9.0926 9.0926 9.0926 9.0926 11.0227 11.0227 11.0227 11.0227 12.5097 12.5097 12.5097 12.5097 16.0166 16.0166 k = 0.5000 0.2887 0.3709 ( 2144 PWs) bands (ev): 1.0029 1.0029 1.0530 1.0530 4.3941 4.3941 4.4857 4.4857 7.5500 7.5500 7.5798 7.5798 7.9627 7.9627 8.0302 8.0302 8.8175 8.8175 8.8509 8.8509 8.9565 8.9565 8.9764 8.9764 9.0798 9.0798 9.1074 9.1074 10.9271 10.9271 11.1211 11.1211 12.4286 12.4286 12.5897 12.5897 15.9664 15.9664 k = 0.5000 0.2887 0.3585 ( 2142 PWs) bands (ev): 0.9757 0.9757 1.0755 1.0755 4.3571 4.3571 4.5400 4.5400 7.5352 7.5352 7.5946 7.5946 7.9282 7.9282 8.0629 8.0629 8.7966 8.7966 8.8616 8.8616 8.9490 8.9490 8.9869 8.9869 9.0701 9.0701 9.1233 9.1233 10.8344 10.8344 11.2224 11.2224 12.3466 12.3466 12.6686 12.6686 15.8824 15.8824 k = 0.5000 0.2887 0.3462 ( 2150 PWs) bands (ev): 0.9473 0.9473 1.0960 1.0960 4.3261 4.3261 4.5997 4.5997 7.5204 7.5204 7.6093 7.6093 7.8937 7.8937 8.0943 8.0943 8.7736 8.7736 8.8670 8.8670 8.9438 8.9438 8.9956 8.9956 9.0651 9.0651 9.1403 9.1403 10.7447 10.7447 11.3264 11.3264 12.2639 12.2639 12.7461 12.7461 15.7709 15.7709 k = 0.5000 0.2887 0.3338 ( 2150 PWs) bands (ev): 0.9180 0.9180 1.1144 1.1144 4.3014 4.3014 4.6646 4.6646 7.5058 7.5058 7.6236 7.6236 7.8595 7.8595 8.1245 8.1245 8.7490 8.7490 8.8669 8.8669 8.9409 8.9409 9.0011 9.0011 9.0668 9.0668 9.1580 9.1580 10.6579 10.6579 11.4330 11.4330 12.1804 12.1804 12.8218 12.8218 15.6394 15.6394 k = 0.5000 0.2887 0.3215 ( 2150 PWs) bands (ev): 0.8880 0.8880 1.1305 1.1305 4.2827 4.2827 4.7344 4.7344 7.4915 7.4915 7.6372 7.6372 7.8260 7.8260 8.1531 8.1531 8.7230 8.7230 8.8623 8.8623 8.9386 8.9386 9.0036 9.0036 9.0754 9.0754 9.1762 9.1762 10.5742 10.5742 11.5421 11.5421 12.0964 12.0964 12.8951 12.8951 15.4954 15.4954 k = 0.5000 0.2887 0.3091 ( 2154 PWs) bands (ev): 0.8575 0.8575 1.1444 1.1444 4.2703 4.2703 4.8090 4.8090 7.4774 7.4774 7.6494 7.6494 7.7942 7.7942 8.1798 8.1798 8.6957 8.6957 8.8547 8.8547 8.9353 8.9353 9.0053 9.0053 9.0885 9.0885 9.1948 9.1948 10.4936 10.4936 11.6531 11.6531 12.0124 12.0124 12.9652 12.9652 15.3450 15.3450 k = 0.5000 0.2887 0.2967 ( 2152 PWs) bands (ev): 0.8268 0.8268 1.1558 1.1558 4.2639 4.2639 4.8880 4.8880 7.4635 7.4635 7.6589 7.6589 7.7657 7.7657 8.2047 8.2047 8.6673 8.6673 8.8453 8.8453 8.9302 8.9302 9.0078 9.0078 9.1041 9.1041 9.2136 9.2136 10.4161 10.4161 11.7636 11.7636 11.9310 11.9310 13.0308 13.0308 15.1940 15.1940 k = 0.5000 0.2887 0.2844 ( 2154 PWs) bands (ev): 0.7960 0.7960 1.1649 1.1649 4.2635 4.2635 4.9713 4.9713 7.4501 7.4501 7.6617 7.6617 7.7444 7.7444 8.2274 8.2274 8.6376 8.6376 8.8349 8.8349 8.9234 8.9234 9.0113 9.0113 9.1209 9.1209 9.2325 9.2325 10.3417 10.3417 11.8182 11.8182 11.9075 11.9075 13.0902 13.0902 15.0475 15.0475 k = 0.5000 0.2887 0.2720 ( 2148 PWs) bands (ev): 0.7653 0.7653 1.1718 1.1718 4.2689 4.2689 5.0587 5.0587 7.4369 7.4369 7.6527 7.6527 7.7358 7.7358 8.2477 8.2477 8.6070 8.6070 8.8241 8.8241 8.9156 8.9156 9.0154 9.0154 9.1379 9.1379 9.2515 9.2515 10.2705 10.2705 11.7450 11.7450 12.0140 12.0140 13.1407 13.1407 14.9106 14.9106 k = 0.5000 0.2887 0.2596 ( 2148 PWs) bands (ev): 0.7349 0.7349 1.1763 1.1763 4.2797 4.2797 5.1498 5.1498 7.4242 7.4242 7.6328 7.6328 7.7389 7.7389 8.2654 8.2654 8.5752 8.5752 8.8129 8.8129 8.9073 8.9073 9.0197 9.0197 9.1548 9.1548 9.2702 9.2702 10.2026 10.2026 11.6605 11.6605 12.1339 12.1339 13.1788 13.1788 14.7890 14.7890 k = 0.5000 0.2887 0.2473 ( 2148 PWs) bands (ev): 0.7050 0.7050 1.1788 1.1788 4.2958 4.2958 5.2444 5.2444 7.4118 7.4118 7.6083 7.6083 7.7475 7.7475 8.2803 8.2803 8.5423 8.5423 8.8016 8.8016 8.8988 8.8988 9.0240 9.0240 9.1711 9.1711 9.2886 9.2886 10.1379 10.1379 11.5749 11.5749 12.2571 12.2571 13.2004 13.2004 14.6884 14.6884 k = 0.5000 0.2887 0.2349 ( 2148 PWs) bands (ev): 0.6757 0.6757 1.1793 1.1793 4.3166 4.3166 5.3423 5.3423 7.3999 7.3999 7.5828 7.5828 7.7583 7.7583 8.2923 8.2923 8.5083 8.5083 8.7904 8.7904 8.8903 8.8903 9.0278 9.0278 9.1866 9.1866 9.3066 9.3066 10.0766 10.0766 11.4895 11.4895 12.3823 12.3823 13.2014 13.2014 14.6147 14.6147 k = 0.5000 0.2887 0.2225 ( 2148 PWs) bands (ev): 0.6472 0.6472 1.1781 1.1781 4.3418 4.3418 5.4433 5.4433 7.3885 7.3885 7.5580 7.5580 7.7696 7.7696 8.3010 8.3010 8.4732 8.4732 8.7793 8.7793 8.8821 8.8821 9.0312 9.0312 9.2011 9.2011 9.3239 9.3239 10.0187 10.0187 11.4049 11.4049 12.5085 12.5085 13.1797 13.1797 14.5719 14.5719 k = 0.5000 0.2887 0.2102 ( 2146 PWs) bands (ev): 0.6196 0.6196 1.1754 1.1754 4.3709 4.3709 5.5471 5.5471 7.3776 7.3776 7.5345 7.5345 7.7809 7.7809 8.3063 8.3063 8.4372 8.4372 8.7684 8.7684 8.8741 8.8741 9.0340 9.0340 9.2146 9.2146 9.3405 9.3405 9.9641 9.9641 11.3215 11.3215 12.6333 12.6333 13.1373 13.1373 14.5609 14.5609 k = 0.5000 0.2887 0.1978 ( 2142 PWs) bands (ev): 0.5930 0.5930 1.1713 1.1713 4.4035 4.4035 5.6533 5.6533 7.3673 7.3673 7.5128 7.5128 7.7916 7.7916 8.3078 8.3078 8.4002 8.4002 8.7578 8.7578 8.8664 8.8664 9.0361 9.0361 9.2269 9.2269 9.3562 9.3562 9.9130 9.9130 11.2398 11.2398 12.7499 12.7499 13.0846 13.0846 14.5791 14.5791 k = 0.5000 0.2887 0.1855 ( 2146 PWs) bands (ev): 0.5675 0.5675 1.1661 1.1661 4.4388 4.4388 5.7619 5.7619 7.3574 7.3574 7.4932 7.4932 7.8016 7.8016 8.3051 8.3051 8.3625 8.3625 8.7474 8.7474 8.8591 8.8591 9.0373 9.0373 9.2378 9.2378 9.3709 9.3709 9.8653 9.8653 11.1603 11.1603 12.8268 12.8268 13.0581 13.0581 14.6215 14.6215 k = 0.5000 0.2887 0.1731 ( 2144 PWs) bands (ev): 0.5433 0.5433 1.1601 1.1601 4.4764 4.4764 5.8724 5.8724 7.3481 7.3481 7.4760 7.4760 7.8104 7.8104 8.2973 8.2973 8.3251 8.3251 8.7375 8.7375 8.8522 8.8522 9.0378 9.0378 9.2473 9.2473 9.3846 9.3846 9.8212 9.8212 11.0835 11.0835 12.8062 12.8062 13.1213 13.1213 14.6755 14.6755 k = 0.5000 0.2887 0.1607 ( 2150 PWs) bands (ev): 0.5204 0.5204 1.1534 1.1534 4.5156 4.5156 5.9846 5.9846 7.3393 7.3393 7.4614 7.4614 7.8178 7.8178 8.2778 8.2778 8.2943 8.2943 8.7280 8.7280 8.8457 8.8457 9.0374 9.0374 9.2553 9.2553 9.3971 9.3971 9.7807 9.7807 11.0097 11.0097 12.7280 12.7280 13.2390 13.2390 14.6467 14.6467 k = 0.5000 0.2887 0.1484 ( 2154 PWs) bands (ev): 0.4989 0.4989 1.1463 1.1463 4.5558 4.5558 6.0981 6.0981 7.3312 7.3312 7.4495 7.4495 7.8232 7.8232 8.2422 8.2422 8.2748 8.2748 8.7189 8.7189 8.8397 8.8397 9.0364 9.0364 9.2620 9.2620 9.4083 9.4083 9.7437 9.7437 10.9396 10.9396 12.6353 12.6353 13.3719 13.3719 14.5911 14.5911 k = 0.5000 0.2887 0.1360 ( 2146 PWs) bands (ev): 0.4789 0.4789 1.1390 1.1390 4.5963 4.5963 6.2126 6.2126 7.3238 7.3238 7.4407 7.4407 7.8262 7.8262 8.2043 8.2043 8.2534 8.2534 8.7104 8.7104 8.8341 8.8341 9.0347 9.0347 9.2673 9.2673 9.4185 9.4185 9.7104 9.7104 10.8736 10.8736 12.5404 12.5404 13.5103 13.5103 14.5393 14.5393 k = 0.5000 0.2887 0.1236 ( 2134 PWs) bands (ev): 0.4604 0.4604 1.1316 1.1316 4.6364 4.6364 6.3276 6.3276 7.3170 7.3170 7.4349 7.4349 7.8259 7.8259 8.1670 8.1670 8.2272 8.2272 8.7025 8.7025 8.8290 8.8290 9.0324 9.0324 9.2713 9.2713 9.4274 9.4274 9.6809 9.6809 10.8120 10.8120 12.4481 12.4481 13.6512 13.6512 14.4924 14.4924 k = 0.5000 0.2887 0.1113 ( 2130 PWs) bands (ev): 0.4435 0.4435 1.1245 1.1245 4.6755 4.6755 6.4427 6.4427 7.3108 7.3108 7.4322 7.4322 7.8213 7.8213 8.1313 8.1313 8.1965 8.1965 8.6951 8.6951 8.8243 8.8243 9.0295 9.0295 9.2740 9.2740 9.4350 9.4350 9.6548 9.6548 10.7553 10.7553 12.3609 12.3609 13.7930 13.7930 14.4506 14.4506 k = 0.5000 0.2887 0.0989 ( 2130 PWs) bands (ev): 0.4283 0.4283 1.1176 1.1176 4.7128 4.7128 6.5575 6.5575 7.3052 7.3052 7.4327 7.4327 7.8116 7.8116 8.0974 8.0974 8.1622 8.1622 8.6884 8.6884 8.8200 8.8200 9.0263 9.0263 9.2756 9.2756 9.4415 9.4415 9.6322 9.6322 10.7037 10.7037 12.2806 12.2806 13.9344 13.9344 14.4141 14.4141 k = 0.5000 0.2887 0.0865 ( 2146 PWs) bands (ev): 0.4147 0.4147 1.1112 1.1112 4.7477 4.7477 6.6712 6.6712 7.3003 7.3003 7.4362 7.4362 7.7959 7.7959 8.0639 8.0639 8.1269 8.1269 8.6821 8.6821 8.8159 8.8159 9.0229 9.0229 9.2762 9.2762 9.4467 9.4467 9.6128 9.6128 10.6575 10.6575 12.2082 12.2082 14.0734 14.0734 14.3834 14.3834 k = 0.5000 0.2887 0.0742 ( 2146 PWs) bands (ev): 0.4029 0.4029 1.1054 1.1054 4.7796 4.7796 6.7832 6.7832 7.2960 7.2960 7.4422 7.4422 7.7743 7.7743 8.0264 8.0264 8.0962 8.0962 8.6768 8.6768 8.8126 8.8126 9.0195 9.0195 9.2760 9.2760 9.4510 9.4510 9.5968 9.5968 10.6172 10.6172 12.1445 12.1445 14.2047 14.2047 14.3623 14.3623 k = 0.5000 0.2887 0.0618 ( 2142 PWs) bands (ev): 0.3928 0.3928 1.1003 1.1003 4.8078 4.8078 6.8926 6.8926 7.2926 7.2926 7.4497 7.4497 7.7479 7.7479 7.9813 7.9813 8.0743 8.0743 8.6723 8.6723 8.8097 8.8097 9.0162 9.0162 9.2755 9.2755 9.4542 9.4542 9.5840 9.5840 10.5827 10.5827 12.0902 12.0902 14.2918 14.2918 14.3846 14.3846 k = 0.5000 0.2887 0.0495 ( 2140 PWs) bands (ev): 0.3846 0.3846 1.0961 1.0961 4.8317 4.8317 6.9981 6.9981 7.2900 7.2900 7.4566 7.4566 7.7191 7.7191 7.9301 7.9301 8.0605 8.0605 8.6686 8.6686 8.8074 8.8074 9.0133 9.0133 9.2747 9.2747 9.4566 9.4566 9.5741 9.5741 10.5543 10.5543 12.0454 12.0454 14.2945 14.2945 14.4872 14.4872 k = 0.5000 0.2887 0.0371 ( 2140 PWs) bands (ev): 0.3781 0.3781 1.0927 1.0927 4.8508 4.8508 7.0980 7.0980 7.2887 7.2887 7.4585 7.4585 7.6920 7.6920 7.8775 7.8775 8.0520 8.0520 8.6658 8.6658 8.8056 8.8056 9.0108 9.0108 9.2738 9.2738 9.4581 9.4581 9.5668 9.5668 10.5321 10.5321 12.0104 12.0104 14.2839 14.2839 14.5937 14.5937 k = 0.5000 0.2887 0.0247 ( 2148 PWs) bands (ev): 0.3735 0.3735 1.0902 1.0902 4.8647 4.8647 7.1884 7.1884 7.2904 7.2904 7.4479 7.4479 7.6726 7.6726 7.8289 7.8289 8.0471 8.0471 8.6637 8.6637 8.8042 8.8042 9.0087 9.0087 9.2729 9.2729 9.4590 9.4590 9.5617 9.5617 10.5161 10.5161 11.9853 11.9853 14.2748 14.2748 14.6821 14.6821 k = 0.5000 0.2887 0.0124 ( 2140 PWs) bands (ev): 0.3707 0.3707 1.0887 1.0887 4.8733 4.8733 7.2529 7.2529 7.3082 7.3082 7.4180 7.4180 7.6654 7.6654 7.7918 7.7918 8.0446 8.0446 8.6624 8.6624 8.8035 8.8035 9.0077 9.0077 9.2724 9.2724 9.4595 9.4595 9.5588 9.5588 10.5066 10.5066 11.9703 11.9703 14.2691 14.2691 14.7413 14.7413 k = 0.5000 0.2887-0.0000 ( 2130 PWs) bands (ev): 0.3698 0.3698 1.0882 1.0882 4.8762 4.8762 7.2671 7.2671 7.3489 7.3489 7.3809 7.3809 7.6652 7.6652 7.7770 7.7770 8.0438 8.0438 8.6621 8.6621 8.8032 8.8032 9.0074 9.0074 9.2723 9.2723 9.4597 9.4597 9.5579 9.5579 10.5035 10.5035 11.9653 11.9653 14.2672 14.2672 14.7623 14.7623 k = 0.3333 0.5774-0.0000 ( 2112 PWs) bands (ev): 1.0564 1.0564 1.0590 1.0590 4.1209 4.1209 6.3598 6.3598 6.5099 6.5099 7.6374 7.6374 7.6793 7.6793 8.1838 8.1838 8.7668 8.7668 8.7821 8.7821 8.9584 8.9584 9.2283 9.2283 9.4656 9.4656 9.5460 9.5460 10.1881 10.1881 10.2794 10.2794 11.4593 11.4593 11.5329 11.5329 13.6487 13.6487 k = 0.3333 0.5774 0.0124 ( 2112 PWs) bands (ev): 1.0569 1.0569 1.0596 1.0596 4.1226 4.1226 6.3556 6.3556 6.5056 6.5056 7.6395 7.6395 7.6813 7.6813 8.1846 8.1846 8.7564 8.7564 8.7822 8.7822 8.9584 8.9584 9.2315 9.2315 9.4653 9.4653 9.5457 9.5457 10.1836 10.1836 10.2746 10.2746 11.4692 11.4692 11.5431 11.5431 13.6579 13.6579 k = 0.3333 0.5774 0.0247 ( 2118 PWs) bands (ev): 1.0586 1.0586 1.0612 1.0612 4.1276 4.1276 6.3431 6.3431 6.4929 6.4929 7.6455 7.6455 7.6871 7.6871 8.1865 8.1865 8.7264 8.7264 8.7826 8.7826 8.9585 8.9585 9.2399 9.2399 9.4647 9.4647 9.5448 9.5448 10.1703 10.1703 10.2608 10.2608 11.4983 11.4983 11.5734 11.5734 13.6852 13.6852 k = 0.3333 0.5774 0.0371 ( 2133 PWs) bands (ev): 1.0614 1.0614 1.0638 1.0638 4.1360 4.1360 6.3227 6.3227 6.4722 6.4722 7.6552 7.6552 7.6966 7.6966 8.1900 8.1900 8.6794 8.6794 8.7831 8.7831 8.9584 8.9584 9.2512 9.2512 9.4633 9.4633 9.5431 9.5431 10.1496 10.1496 10.2392 10.2392 11.5454 11.5454 11.6222 11.6222 13.7302 13.7302 k = 0.3333 0.5774 0.0495 ( 2127 PWs) bands (ev): 1.0652 1.0652 1.0676 1.0676 4.1477 4.1477 6.2951 6.2951 6.4442 6.4442 7.6683 7.6683 7.7092 7.7092 8.1951 8.1951 8.6187 8.6187 8.7840 8.7840 8.9584 8.9584 9.2631 9.2631 9.4618 9.4618 9.5410 9.5410 10.1231 10.1231 10.2118 10.2118 11.6088 11.6088 11.6878 11.6878 13.7923 13.7923 k = 0.3333 0.5774 0.0618 ( 2121 PWs) bands (ev): 1.0702 1.0702 1.0723 1.0723 4.1628 4.1628 6.2609 6.2609 6.4095 6.4095 7.6840 7.6840 7.7242 7.7242 8.2015 8.2015 8.5469 8.5469 8.7852 8.7852 8.9584 8.9584 9.2738 9.2738 9.4601 9.4601 9.5384 9.5384 10.0923 10.0923 10.1801 10.1801 11.6864 11.6864 11.7680 11.7680 13.8706 13.8706 k = 0.3333 0.5774 0.0742 ( 2121 PWs) bands (ev): 1.0761 1.0761 1.0780 1.0780 4.1812 4.1812 6.2208 6.2208 6.3691 6.3691 7.7020 7.7020 7.7409 7.7409 8.2091 8.2091 8.4664 8.4664 8.7865 8.7865 8.9581 8.9581 9.2823 9.2823 9.4580 9.4580 9.5353 9.5353 10.0588 10.0588 10.1459 10.1459 11.7766 11.7766 11.8609 11.8609 13.9643 13.9643 k = 0.3333 0.5774 0.0865 ( 2127 PWs) bands (ev): 1.0830 1.0830 1.0847 1.0847 4.2030 4.2030 6.1759 6.1759 6.3238 6.3238 7.7216 7.7216 7.7586 7.7586 8.2171 8.2171 8.3798 8.3798 8.7880 8.7880 8.9576 8.9576 9.2877 9.2877 9.4557 9.4557 9.5317 9.5317 10.0240 10.0240 10.1105 10.1105 11.8776 11.8776 11.9648 11.9648 14.0721 14.0721 k = 0.3333 0.5774 0.0989 ( 2127 PWs) bands (ev): 1.0909 1.0909 1.0922 1.0922 4.2280 4.2280 6.1269 6.1269 6.2745 6.2745 7.7424 7.7424 7.7763 7.7763 8.2211 8.2211 8.2933 8.2933 8.7896 8.7896 8.9570 8.9570 9.2901 9.2901 9.4533 9.4533 9.5276 9.5276 9.9886 9.9886 10.0748 10.0748 11.9882 11.9882 12.0784 12.0784 14.1932 14.1932 k = 0.3333 0.5774 0.1113 ( 2130 PWs) bands (ev): 1.0996 1.0996 1.1006 1.1006 4.2564 4.2564 6.0746 6.0746 6.2219 6.2219 7.7639 7.7639 7.7925 7.7925 8.1751 8.1751 8.2548 8.2548 8.7913 8.7913 8.9560 8.9560 9.2894 9.2894 9.4508 9.4508 9.5232 9.5232 9.9536 9.9536 10.0396 10.0396 12.1072 12.1072 12.2005 12.2005 14.3264 14.3264 k = 0.3333 0.5774 0.1236 ( 2130 PWs) bands (ev): 1.1091 1.1091 1.1098 1.1098 4.2880 4.2880 6.0198 6.0198 6.1670 6.1670 7.7857 7.7857 7.8040 7.8040 8.0849 8.0849 8.2627 8.2627 8.7931 8.7931 8.9547 8.9547 9.2857 9.2857 9.4484 9.4484 9.5184 9.5184 9.9194 9.9194 10.0054 10.0054 12.2336 12.2336 12.3301 12.3301 14.4708 14.4708 k = 0.3333 0.5774 0.1360 ( 2130 PWs) bands (ev): 1.1194 1.1194 1.1196 1.1196 4.3229 4.3229 5.9632 5.9632 6.1103 6.1103 7.8014 7.8014 7.8076 7.8076 8.0009 8.0009 8.2763 8.2763 8.7950 8.7950 8.9531 8.9531 9.2791 9.2791 9.4461 9.4461 9.5134 9.5134 9.8864 9.8864 9.9724 9.9724 12.3665 12.3665 12.4664 12.4664 14.6252 14.6252 k = 0.3333 0.5774 0.1484 ( 2136 PWs) bands (ev): 1.1300 1.1300 1.1303 1.1303 4.3611 4.3611 5.9054 5.9054 6.0525 6.0525 7.7624 7.7624 7.8293 7.8293 7.9495 7.9495 8.2921 8.2921 8.7968 8.7968 8.9510 8.9510 9.2699 9.2699 9.4440 9.4440 9.5081 9.5081 9.8548 9.8548 9.9408 9.9408 12.5052 12.5052 12.6086 12.6086 14.7890 14.7890 k = 0.3333 0.5774 0.1607 ( 2127 PWs) bands (ev): 1.1410 1.1410 1.1417 1.1417 4.4024 4.4024 5.8472 5.8472 5.9944 5.9944 7.6800 7.6800 7.8506 7.8506 7.9387 7.9387 8.3095 8.3095 8.7986 8.7986 8.9485 8.9485 9.2582 9.2582 9.4422 9.4422 9.5028 9.5028 9.8250 9.8250 9.9109 9.9109 12.6489 12.6489 12.7560 12.7560 14.9613 14.9613 k = 0.3333 0.5774 0.1731 ( 2127 PWs) bands (ev): 1.1524 1.1524 1.1536 1.1536 4.4470 4.4470 5.7888 5.7888 5.9362 5.9362 7.5768 7.5768 7.8713 7.8713 7.9465 7.9465 8.3282 8.3282 8.8004 8.8004 8.9455 8.9455 9.2443 9.2443 9.4409 9.4409 9.4975 9.4975 9.7966 9.7966 9.8824 9.8824 12.7971 12.7971 12.9081 12.9081 15.1413 15.1413 k = 0.3333 0.5774 0.1855 ( 2121 PWs) bands (ev): 1.1641 1.1641 1.1658 1.1658 4.4948 4.4948 5.7310 5.7310 5.8786 5.8786 7.4657 7.4657 7.8913 7.8913 7.9604 7.9604 8.3484 8.3484 8.8022 8.8022 8.9422 8.9422 9.2281 9.2281 9.4402 9.4402 9.4925 9.4925 9.7698 9.7698 9.8554 9.8554 12.9489 12.9489 13.0641 13.0641 15.3283 15.3283 k = 0.3333 0.5774 0.1978 ( 2127 PWs) bands (ev): 1.1759 1.1759 1.1782 1.1782 4.5456 4.5456 5.6742 5.6742 5.8222 5.8222 7.3512 7.3512 7.9105 7.9105 7.9763 7.9763 8.3691 8.3691 8.8037 8.8037 8.9383 8.9383 9.2103 9.2103 9.4400 9.4400 9.4874 9.4874 9.7446 9.7446 9.8299 9.8299 13.1038 13.1038 13.2234 13.2234 15.5219 15.5219 k = 0.3333 0.5774 0.2102 ( 2127 PWs) bands (ev): 1.1879 1.1879 1.1907 1.1907 4.5996 4.5996 5.6189 5.6189 5.7673 5.7673 7.2351 7.2351 7.9288 7.9288 7.9929 7.9929 8.3914 8.3914 8.8052 8.8052 8.9339 8.9339 9.1910 9.1910 9.4403 9.4403 9.4825 9.4825 9.7210 9.7210 9.8057 9.8057 13.2611 13.2611 13.3853 13.3853 15.7213 15.7213 k = 0.3333 0.5774 0.2225 ( 2133 PWs) bands (ev): 1.1998 1.1998 1.2032 1.2032 4.6566 4.6566 5.5654 5.5654 5.7143 5.7143 7.1185 7.1185 7.9462 7.9462 8.0092 8.0092 8.4147 8.4147 8.8064 8.8064 8.9290 8.9290 9.1701 9.1701 9.4413 9.4413 9.4780 9.4780 9.6989 9.6989 9.7828 9.7828 13.4199 13.4199 13.5492 13.5492 15.9262 15.9262 k = 0.3333 0.5774 0.2349 ( 2133 PWs) bands (ev): 1.2116 1.2116 1.2155 1.2155 4.7165 4.7165 5.5142 5.5142 5.6639 5.6639 7.0018 7.0018 7.9625 7.9625 8.0251 8.0251 8.4390 8.4390 8.8075 8.8075 8.9238 8.9238 9.1478 9.1478 9.4431 9.4431 9.4739 9.4739 9.6784 9.6784 9.7614 9.7614 13.5793 13.5793 13.7141 13.7141 16.1359 16.1359 k = 0.3333 0.5774 0.2473 ( 2133 PWs) bands (ev): 1.2231 1.2231 1.2275 1.2275 4.7793 4.7793 5.4657 5.4657 5.6162 5.6162 6.8857 6.8857 7.9778 7.9778 8.0403 8.0403 8.4641 8.4641 8.8084 8.8084 8.9182 8.9182 9.1245 9.1245 9.4455 9.4455 9.4703 9.4703 9.6594 9.6594 9.7411 9.7411 13.7385 13.7385 13.8792 13.8792 16.3500 16.3500 k = 0.3333 0.5774 0.2596 ( 2133 PWs) bands (ev): 1.2341 1.2341 1.2391 1.2391 4.8449 4.8449 5.4202 5.4202 5.5718 5.5718 6.7704 6.7704 7.9919 7.9919 8.0546 8.0546 8.4901 8.4901 8.8091 8.8091 8.9122 8.9122 9.1002 9.1002 9.4485 9.4485 9.4672 9.4672 9.6418 9.6418 9.7221 9.7221 13.8962 13.8962 14.0433 14.0433 16.5680 16.5680 k = 0.3333 0.5774 0.2720 ( 2133 PWs) bands (ev): 1.2446 1.2446 1.2501 1.2501 4.9129 4.9129 5.3780 5.3780 5.5311 5.5311 6.6563 6.6563 8.0049 8.0049 8.0679 8.0679 8.5168 8.5168 8.8097 8.8097 8.9060 8.9060 9.0753 9.0753 9.4522 9.4522 9.4647 9.4647 9.6256 9.6256 9.7042 9.7042 14.0510 14.0510 14.2050 14.2050 16.7894 16.7894 k = 0.3333 0.5774 0.2844 ( 2127 PWs) bands (ev): 1.2544 1.2544 1.2604 1.2604 4.9832 4.9832 5.3394 5.3394 5.4945 5.4945 6.5437 6.5437 8.0168 8.0168 8.0803 8.0803 8.5441 8.5441 8.8101 8.8101 8.8994 8.8994 9.0500 9.0500 9.4565 9.4565 9.4628 9.4628 9.6108 9.6108 9.6875 9.6875 14.2014 14.2014 14.3628 14.3628 17.0133 17.0133 k = 0.3333 0.5774 0.2967 ( 2133 PWs) bands (ev): 1.2633 1.2633 1.2698 1.2698 5.0552 5.0552 5.3047 5.3047 5.4629 5.4629 6.4328 6.4328 8.0273 8.0273 8.0913 8.0913 8.5720 8.5720 8.8103 8.8103 8.8923 8.8923 9.0248 9.0248 9.4611 9.4611 9.4613 9.4613 9.5974 9.5974 9.6719 9.6719 14.3453 14.3453 14.5147 14.5147 17.2388 17.2388 k = 0.3333 0.5774 0.3091 ( 2130 PWs) bands (ev): 1.2714 1.2714 1.2783 1.2783 5.1276 5.1276 5.2741 5.2741 5.4374 5.4374 6.3239 6.3239 8.0365 8.0365 8.1012 8.1012 8.6003 8.6003 8.8105 8.8105 8.8844 8.8844 9.0003 9.0003 9.4606 9.4606 9.4661 9.4661 9.5854 9.5854 9.6577 9.6577 14.4803 14.4803 14.6581 14.6581 17.4647 17.4647 k = 0.3333 0.5774 0.3215 ( 2130 PWs) bands (ev): 1.2784 1.2784 1.2857 1.2857 5.1975 5.1975 5.2478 5.2478 5.4211 5.4211 6.2174 6.2174 8.0444 8.0444 8.1096 8.1096 8.6288 8.6288 8.8106 8.8106 8.8750 8.8750 8.9772 8.9772 9.4603 9.4603 9.4713 9.4713 9.5748 9.5748 9.6448 9.6448 14.6037 14.6037 14.7901 14.7901 17.6886 17.6886 k = 0.3333 0.5774 0.3338 ( 2136 PWs) bands (ev): 1.2843 1.2843 1.2919 1.2919 5.2260 5.2260 5.2570 5.2570 5.4216 5.4216 6.1137 6.1137 8.0508 8.0508 8.1165 8.1165 8.6574 8.6574 8.8106 8.8106 8.8632 8.8632 8.9569 8.9569 9.4604 9.4604 9.4763 9.4763 9.5658 9.5658 9.6334 9.6334 14.7121 14.7121 14.9070 14.9070 17.9061 17.9061 k = 0.3333 0.5774 0.3462 ( 2142 PWs) bands (ev): 1.2889 1.2889 1.2968 1.2968 5.2089 5.2089 5.2917 5.2917 5.4525 5.4525 6.0139 6.0139 8.0558 8.0558 8.1220 8.1220 8.6858 8.6858 8.8105 8.8105 8.8480 8.8480 8.9409 8.9409 9.4608 9.4608 9.4809 9.4809 9.5585 9.5585 9.6240 9.6240 14.8020 14.8020 15.0047 15.0047 18.1054 18.1054 k = 0.3333 0.5774 0.3585 ( 2142 PWs) bands (ev): 1.2923 1.2923 1.3003 1.3003 5.1966 5.1966 5.3022 5.3022 5.5114 5.5114 5.9199 5.9199 8.0595 8.0595 8.1260 8.1260 8.7132 8.7132 8.8105 8.8105 8.8296 8.8296 8.9300 8.9300 9.4613 9.4613 9.4847 9.4847 9.5531 9.5531 9.6168 9.6168 14.8697 14.8697 15.0789 15.0789 18.1963 18.1963 k = 0.3333 0.5774 0.3709 ( 2142 PWs) bands (ev): 1.2943 1.2943 1.3025 1.3025 5.1892 5.1892 5.3035 5.3035 5.5766 5.5766 5.8386 5.8386 8.0617 8.0617 8.1284 8.1284 8.7376 8.7376 8.8100 8.8100 8.8104 8.8104 8.9238 8.9238 9.4616 9.4616 9.4872 9.4872 9.5498 9.5498 9.6122 9.6122 14.9118 14.9118 15.1253 15.1253 18.1648 18.1648 k = 0.3333 0.5774 0.3833 ( 2154 PWs) bands (ev): 1.2950 1.2950 1.3032 1.3032 5.1867 5.1867 5.3033 5.3033 5.6118 5.6118 5.7986 5.7986 8.0624 8.0624 8.1292 8.1292 8.7501 8.7501 8.7987 8.7987 8.8104 8.8104 8.9218 8.9218 9.4617 9.4617 9.4881 9.4881 9.5486 9.5486 9.6106 9.6106 14.9261 14.9261 15.1411 15.1411 18.1507 18.1508 Writing output data file NiSb.save init_run : 0.32s CPU 0.44s WALL ( 1 calls) electrons : 84.84s CPU 86.61s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.01s CPU 0.04s WALL ( 1 calls) Called by electrons: c_bands : 84.84s CPU 86.60s 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 : 0.05s CPU 0.06s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.03s CPU 0.03s WALL ( 358 calls) cegterg : 77.80s CPU 79.12s WALL ( 467 calls) Called by sum_band: Called by *egterg: h_psi : 37.47s CPU 38.31s WALL ( 7566 calls) s_psi : 3.57s CPU 3.55s WALL ( 7566 calls) g_psi : 0.08s CPU 0.11s WALL ( 6741 calls) cdiaghg : 35.54s CPU 36.14s WALL ( 7099 calls) cegterg:over : 2.46s CPU 2.55s WALL ( 6741 calls) cegterg:upda : 1.63s CPU 1.70s WALL ( 6741 calls) cegterg:last : 0.98s CPU 0.98s WALL ( 1213 calls) cdiaghg:chol : 1.87s CPU 1.87s WALL ( 7099 calls) cdiaghg:inve : 1.06s CPU 1.10s WALL ( 7099 calls) cdiaghg:para : 1.80s CPU 1.98s WALL ( 14198 calls) Called by h_psi: h_psi:vloc : 30.43s CPU 31.12s WALL ( 7566 calls) h_psi:vnl : 6.93s CPU 7.11s WALL ( 7566 calls) add_vuspsi : 3.98s CPU 4.05s WALL ( 7566 calls) General routines calbec : 2.94s CPU 3.05s WALL ( 7566 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 28.30s CPU 28.97s WALL ( 627912 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.08s CPU 0.15s WALL ( 716 calls) Parallel routines fft_scatter : 14.25s CPU 14.62s WALL ( 627935 calls) PWSCF : 1m35.28s CPU 1m46.60s WALL This run was terminated on: 20:57:33 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=