Program PWSCF v.5.3.0 (svn rev. 11974) starts on 24Dec2016 at 20:30:51 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: ./Zr2NiAs2.save/ file Ni.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 24 20 5 1950 1502 225 Max 25 21 6 1959 1537 246 Sum 889 745 211 70307 54829 8633 bravais-lattice index = 14 lattice parameter (alat) = 7.3983 a.u. unit-cell volume = 1149.2575 (a.u.)^3 number of atoms/cell = 10 number of atomic types = 3 number of electrons = 56.00 number of Kohn-Sham states= 68 kinetic-energy cutoff = 50.0000 Ry charge density cutoff = 236.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.398277 celldm(2)= 1.000000 celldm(3)= 3.277139 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 3.277139 ) 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 0.305144 ) PseudoPot. # 1 for Zr read from file: /users/gautes/Pseudo/Zr.rel-pbe-n-nc.UPF MD5 check sum: 453101d5cee66cf3691e2371f73c5d7d Pseudo is Norm-conserving + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1225 points, 4 beta functions with: l(1) = 1 l(2) = 1 l(3) = 2 l(4) = 2 PseudoPot. # 2 for As read from file: /users/gautes/Pseudo/As.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 91883ac77fc8b4c49e33555c42516b17 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 1209 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 3 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 Zr 4.00 91.22400 Zr( 1.00) As 5.00 74.92160 As( 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 ) ( -1.6385696 ) 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 ) ( 1.6385696 ) 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 ) ( -1.6385696 ) 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 ) ( -1.6385696 ) 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 ) ( 1.6385696 ) 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 ) ( 1.6385696 ) 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 ) ( 1.6385696 ) 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 ) ( -1.6385696 ) 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 ) ( 1.6385696 ) 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 ) ( 1.6385696 ) 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 ) ( -1.6385696 ) 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 ) ( -1.6385696 ) 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= 304 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032895 k( 2) = ( 0.0106383 0.0061420 -0.0000000), wk = 0.0032895 k( 3) = ( 0.0212766 0.0122841 -0.0000000), wk = 0.0032895 k( 4) = ( 0.0319149 0.0184261 -0.0000000), wk = 0.0032895 k( 5) = ( 0.0425532 0.0245681 -0.0000000), wk = 0.0032895 k( 6) = ( 0.0531915 0.0307101 -0.0000000), wk = 0.0032895 k( 7) = ( 0.0638298 0.0368521 -0.0000000), wk = 0.0032895 k( 8) = ( 0.0744681 0.0429942 -0.0000000), wk = 0.0032895 k( 9) = ( 0.0851064 0.0491362 -0.0000000), wk = 0.0032895 k( 10) = ( 0.0957447 0.0552782 -0.0000000), wk = 0.0032895 k( 11) = ( 0.1063830 0.0614202 -0.0000000), wk = 0.0032895 k( 12) = ( 0.1170213 0.0675623 -0.0000000), wk = 0.0032895 k( 13) = ( 0.1276596 0.0737043 -0.0000000), wk = 0.0032895 k( 14) = ( 0.1382979 0.0798463 -0.0000000), wk = 0.0032895 k( 15) = ( 0.1489362 0.0859883 -0.0000000), wk = 0.0032895 k( 16) = ( 0.1595745 0.0921304 -0.0000000), wk = 0.0032895 k( 17) = ( 0.1702128 0.0982724 -0.0000000), wk = 0.0032895 k( 18) = ( 0.1808511 0.1044144 -0.0000000), wk = 0.0032895 k( 19) = ( 0.1914894 0.1105564 -0.0000000), wk = 0.0032895 k( 20) = ( 0.2021277 0.1166985 -0.0000000), wk = 0.0032895 k( 21) = ( 0.2127660 0.1228405 -0.0000000), wk = 0.0032895 k( 22) = ( 0.2234043 0.1289825 -0.0000000), wk = 0.0032895 k( 23) = ( 0.2340425 0.1351245 -0.0000000), wk = 0.0032895 k( 24) = ( 0.2446809 0.1412666 -0.0000000), wk = 0.0032895 k( 25) = ( 0.2553191 0.1474086 -0.0000000), wk = 0.0032895 k( 26) = ( 0.2659574 0.1535506 -0.0000000), wk = 0.0032895 k( 27) = ( 0.2765957 0.1596926 -0.0000000), wk = 0.0032895 k( 28) = ( 0.2872340 0.1658347 -0.0000000), wk = 0.0032895 k( 29) = ( 0.2978723 0.1719767 -0.0000000), wk = 0.0032895 k( 30) = ( 0.3085106 0.1781187 -0.0000000), wk = 0.0032895 k( 31) = ( 0.3191489 0.1842607 -0.0000000), wk = 0.0032895 k( 32) = ( 0.3297872 0.1904027 -0.0000000), wk = 0.0032895 k( 33) = ( 0.3404255 0.1965448 -0.0000000), wk = 0.0032895 k( 34) = ( 0.3510638 0.2026868 -0.0000000), wk = 0.0032895 k( 35) = ( 0.3617021 0.2088288 -0.0000000), wk = 0.0032895 k( 36) = ( 0.3723404 0.2149708 -0.0000000), wk = 0.0032895 k( 37) = ( 0.3829787 0.2211129 -0.0000000), wk = 0.0032895 k( 38) = ( 0.3936170 0.2272549 -0.0000000), wk = 0.0032895 k( 39) = ( 0.4042553 0.2333969 -0.0000000), wk = 0.0032895 k( 40) = ( 0.4148936 0.2395389 -0.0000000), wk = 0.0032895 k( 41) = ( 0.4255319 0.2456810 -0.0000000), wk = 0.0032895 k( 42) = ( 0.4361702 0.2518230 -0.0000000), wk = 0.0032895 k( 43) = ( 0.4468085 0.2579650 -0.0000000), wk = 0.0032895 k( 44) = ( 0.4574468 0.2641070 -0.0000000), wk = 0.0032895 k( 45) = ( 0.4680851 0.2702491 -0.0000000), wk = 0.0032895 k( 46) = ( 0.4787234 0.2763911 -0.0000000), wk = 0.0032895 k( 47) = ( 0.4893617 0.2825331 -0.0000000), wk = 0.0032895 k( 48) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0032895 k( 49) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0032895 k( 50) = ( 0.4938272 0.2993668 -0.0000000), wk = 0.0032895 k( 51) = ( 0.4876543 0.3100585 -0.0000000), wk = 0.0032895 k( 52) = ( 0.4814815 0.3207502 -0.0000000), wk = 0.0032895 k( 53) = ( 0.4753086 0.3314418 -0.0000000), wk = 0.0032895 k( 54) = ( 0.4691358 0.3421335 -0.0000000), wk = 0.0032895 k( 55) = ( 0.4629630 0.3528252 -0.0000000), wk = 0.0032895 k( 56) = ( 0.4567901 0.3635168 -0.0000000), wk = 0.0032895 k( 57) = ( 0.4506173 0.3742085 -0.0000000), wk = 0.0032895 k( 58) = ( 0.4444444 0.3849002 -0.0000000), wk = 0.0032895 k( 59) = ( 0.4382716 0.3955918 -0.0000000), wk = 0.0032895 k( 60) = ( 0.4320988 0.4062835 -0.0000000), wk = 0.0032895 k( 61) = ( 0.4259259 0.4169752 -0.0000000), wk = 0.0032895 k( 62) = ( 0.4197531 0.4276669 -0.0000000), wk = 0.0032895 k( 63) = ( 0.4135802 0.4383585 -0.0000000), wk = 0.0032895 k( 64) = ( 0.4074074 0.4490502 -0.0000000), wk = 0.0032895 k( 65) = ( 0.4012346 0.4597419 -0.0000000), wk = 0.0032895 k( 66) = ( 0.3950617 0.4704335 -0.0000000), wk = 0.0032895 k( 67) = ( 0.3888889 0.4811252 -0.0000000), wk = 0.0032895 k( 68) = ( 0.3827160 0.4918169 -0.0000000), wk = 0.0032895 k( 69) = ( 0.3765432 0.5025086 -0.0000000), wk = 0.0032895 k( 70) = ( 0.3703704 0.5132002 -0.0000000), wk = 0.0032895 k( 71) = ( 0.3641975 0.5238919 -0.0000000), wk = 0.0032895 k( 72) = ( 0.3580247 0.5345836 -0.0000000), wk = 0.0032895 k( 73) = ( 0.3518519 0.5452753 -0.0000000), wk = 0.0032895 k( 74) = ( 0.3456790 0.5559669 -0.0000000), wk = 0.0032895 k( 75) = ( 0.3395062 0.5666586 -0.0000000), wk = 0.0032895 k( 76) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0032895 k( 77) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0032895 k( 78) = ( 0.3271605 0.5666586 -0.0000000), wk = 0.0032895 k( 79) = ( 0.3209877 0.5559669 -0.0000000), wk = 0.0032895 k( 80) = ( 0.3148148 0.5452752 -0.0000000), wk = 0.0032895 k( 81) = ( 0.3086420 0.5345836 -0.0000000), wk = 0.0032895 k( 82) = ( 0.3024691 0.5238919 -0.0000000), wk = 0.0032895 k( 83) = ( 0.2962963 0.5132002 -0.0000000), wk = 0.0032895 k( 84) = ( 0.2901235 0.5025086 -0.0000000), wk = 0.0032895 k( 85) = ( 0.2839506 0.4918169 -0.0000000), wk = 0.0032895 k( 86) = ( 0.2777778 0.4811252 -0.0000000), wk = 0.0032895 k( 87) = ( 0.2716049 0.4704336 -0.0000000), wk = 0.0032895 k( 88) = ( 0.2654321 0.4597419 -0.0000000), wk = 0.0032895 k( 89) = ( 0.2592593 0.4490502 -0.0000000), wk = 0.0032895 k( 90) = ( 0.2530864 0.4383585 -0.0000000), wk = 0.0032895 k( 91) = ( 0.2469136 0.4276669 -0.0000000), wk = 0.0032895 k( 92) = ( 0.2407407 0.4169752 -0.0000000), wk = 0.0032895 k( 93) = ( 0.2345679 0.4062835 -0.0000000), wk = 0.0032895 k( 94) = ( 0.2283951 0.3955918 -0.0000000), wk = 0.0032895 k( 95) = ( 0.2222222 0.3849002 -0.0000000), wk = 0.0032895 k( 96) = ( 0.2160494 0.3742085 -0.0000000), wk = 0.0032895 k( 97) = ( 0.2098765 0.3635168 -0.0000000), wk = 0.0032895 k( 98) = ( 0.2037037 0.3528252 -0.0000000), wk = 0.0032895 k( 99) = ( 0.1975309 0.3421335 -0.0000000), wk = 0.0032895 k( 100) = ( 0.1913580 0.3314418 -0.0000000), wk = 0.0032895 k( 101) = ( 0.1851852 0.3207502 -0.0000000), wk = 0.0032895 k( 102) = ( 0.1790123 0.3100585 -0.0000000), wk = 0.0032895 k( 103) = ( 0.1728395 0.2993668 -0.0000000), wk = 0.0032895 k( 104) = ( 0.1666667 0.2886751 -0.0000000), wk = 0.0032895 k( 105) = ( 0.1604938 0.2779835 -0.0000000), wk = 0.0032895 k( 106) = ( 0.1543210 0.2672918 -0.0000000), wk = 0.0032895 k( 107) = ( 0.1481482 0.2566001 -0.0000000), wk = 0.0032895 k( 108) = ( 0.1419753 0.2459085 -0.0000000), wk = 0.0032895 k( 109) = ( 0.1358025 0.2352168 -0.0000000), wk = 0.0032895 k( 110) = ( 0.1296296 0.2245251 -0.0000000), wk = 0.0032895 k( 111) = ( 0.1234568 0.2138334 -0.0000000), wk = 0.0032895 k( 112) = ( 0.1172839 0.2031418 -0.0000000), wk = 0.0032895 k( 113) = ( 0.1111111 0.1924501 -0.0000000), wk = 0.0032895 k( 114) = ( 0.1049383 0.1817584 -0.0000000), wk = 0.0032895 k( 115) = ( 0.0987654 0.1710667 -0.0000000), wk = 0.0032895 k( 116) = ( 0.0925926 0.1603751 -0.0000000), wk = 0.0032895 k( 117) = ( 0.0864198 0.1496834 -0.0000000), wk = 0.0032895 k( 118) = ( 0.0802469 0.1389917 -0.0000000), wk = 0.0032895 k( 119) = ( 0.0740741 0.1283001 -0.0000000), wk = 0.0032895 k( 120) = ( 0.0679012 0.1176084 -0.0000000), wk = 0.0032895 k( 121) = ( 0.0617284 0.1069167 -0.0000000), wk = 0.0032895 k( 122) = ( 0.0555556 0.0962251 -0.0000000), wk = 0.0032895 k( 123) = ( 0.0493827 0.0855334 -0.0000000), wk = 0.0032895 k( 124) = ( 0.0432099 0.0748417 -0.0000000), wk = 0.0032895 k( 125) = ( 0.0370370 0.0641500 -0.0000000), wk = 0.0032895 k( 126) = ( 0.0308642 0.0534584 -0.0000000), wk = 0.0032895 k( 127) = ( 0.0246914 0.0427667 -0.0000000), wk = 0.0032895 k( 128) = ( 0.0185185 0.0320750 -0.0000000), wk = 0.0032895 k( 129) = ( 0.0123457 0.0213833 -0.0000000), wk = 0.0032895 k( 130) = ( 0.0061728 0.0106917 -0.0000000), wk = 0.0032895 k( 131) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032895 k( 132) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032895 k( 133) = ( 0.0000000 0.0000000 0.0117363), wk = 0.0032895 k( 134) = ( 0.0000000 0.0000000 0.0234726), wk = 0.0032895 k( 135) = ( 0.0000000 0.0000000 0.0352089), wk = 0.0032895 k( 136) = ( 0.0000000 0.0000000 0.0469453), wk = 0.0032895 k( 137) = ( 0.0000000 0.0000000 0.0586816), wk = 0.0032895 k( 138) = ( 0.0000000 0.0000000 0.0704179), wk = 0.0032895 k( 139) = ( 0.0000000 0.0000000 0.0821542), wk = 0.0032895 k( 140) = ( 0.0000000 0.0000000 0.0938905), wk = 0.0032895 k( 141) = ( 0.0000000 0.0000000 0.1056268), wk = 0.0032895 k( 142) = ( 0.0000000 0.0000000 0.1173631), wk = 0.0032895 k( 143) = ( 0.0000000 0.0000000 0.1290995), wk = 0.0032895 k( 144) = ( 0.0000000 0.0000000 0.1408358), wk = 0.0032895 k( 145) = ( 0.0000000 0.0000000 0.1525721), wk = 0.0032895 k( 146) = ( 0.0000000 0.0000000 0.1525721), wk = 0.0032895 k( 147) = ( 0.0106383 0.0061420 0.1525721), wk = 0.0032895 k( 148) = ( 0.0212766 0.0122841 0.1525721), wk = 0.0032895 k( 149) = ( 0.0319149 0.0184261 0.1525721), wk = 0.0032895 k( 150) = ( 0.0425532 0.0245681 0.1525721), wk = 0.0032895 k( 151) = ( 0.0531915 0.0307101 0.1525721), wk = 0.0032895 k( 152) = ( 0.0638298 0.0368521 0.1525721), wk = 0.0032895 k( 153) = ( 0.0744681 0.0429942 0.1525721), wk = 0.0032895 k( 154) = ( 0.0851064 0.0491362 0.1525721), wk = 0.0032895 k( 155) = ( 0.0957447 0.0552782 0.1525721), wk = 0.0032895 k( 156) = ( 0.1063830 0.0614202 0.1525721), wk = 0.0032895 k( 157) = ( 0.1170213 0.0675623 0.1525721), wk = 0.0032895 k( 158) = ( 0.1276596 0.0737043 0.1525721), wk = 0.0032895 k( 159) = ( 0.1382979 0.0798463 0.1525721), wk = 0.0032895 k( 160) = ( 0.1489362 0.0859883 0.1525721), wk = 0.0032895 k( 161) = ( 0.1595745 0.0921304 0.1525721), wk = 0.0032895 k( 162) = ( 0.1702128 0.0982724 0.1525721), wk = 0.0032895 k( 163) = ( 0.1808511 0.1044144 0.1525721), wk = 0.0032895 k( 164) = ( 0.1914894 0.1105564 0.1525721), wk = 0.0032895 k( 165) = ( 0.2021277 0.1166985 0.1525721), wk = 0.0032895 k( 166) = ( 0.2127660 0.1228405 0.1525721), wk = 0.0032895 k( 167) = ( 0.2234043 0.1289825 0.1525721), wk = 0.0032895 k( 168) = ( 0.2340425 0.1351245 0.1525721), wk = 0.0032895 k( 169) = ( 0.2446809 0.1412666 0.1525721), wk = 0.0032895 k( 170) = ( 0.2553191 0.1474086 0.1525721), wk = 0.0032895 k( 171) = ( 0.2659574 0.1535506 0.1525721), wk = 0.0032895 k( 172) = ( 0.2765957 0.1596926 0.1525721), wk = 0.0032895 k( 173) = ( 0.2872340 0.1658347 0.1525721), wk = 0.0032895 k( 174) = ( 0.2978723 0.1719767 0.1525721), wk = 0.0032895 k( 175) = ( 0.3085106 0.1781187 0.1525721), wk = 0.0032895 k( 176) = ( 0.3191489 0.1842607 0.1525721), wk = 0.0032895 k( 177) = ( 0.3297872 0.1904027 0.1525721), wk = 0.0032895 k( 178) = ( 0.3404255 0.1965448 0.1525721), wk = 0.0032895 k( 179) = ( 0.3510638 0.2026868 0.1525721), wk = 0.0032895 k( 180) = ( 0.3617021 0.2088288 0.1525721), wk = 0.0032895 k( 181) = ( 0.3723404 0.2149708 0.1525721), wk = 0.0032895 k( 182) = ( 0.3829787 0.2211129 0.1525721), wk = 0.0032895 k( 183) = ( 0.3936170 0.2272549 0.1525721), wk = 0.0032895 k( 184) = ( 0.4042553 0.2333969 0.1525721), wk = 0.0032895 k( 185) = ( 0.4148936 0.2395389 0.1525721), wk = 0.0032895 k( 186) = ( 0.4255319 0.2456810 0.1525721), wk = 0.0032895 k( 187) = ( 0.4361702 0.2518230 0.1525721), wk = 0.0032895 k( 188) = ( 0.4468085 0.2579650 0.1525721), wk = 0.0032895 k( 189) = ( 0.4574468 0.2641070 0.1525721), wk = 0.0032895 k( 190) = ( 0.4680851 0.2702491 0.1525721), wk = 0.0032895 k( 191) = ( 0.4787234 0.2763911 0.1525721), wk = 0.0032895 k( 192) = ( 0.4893617 0.2825331 0.1525721), wk = 0.0032895 k( 193) = ( 0.5000000 0.2886751 0.1525721), wk = 0.0032895 k( 194) = ( 0.5000000 0.2886751 0.1525721), wk = 0.0032895 k( 195) = ( 0.4938272 0.2993668 0.1525721), wk = 0.0032895 k( 196) = ( 0.4876543 0.3100585 0.1525721), wk = 0.0032895 k( 197) = ( 0.4814815 0.3207502 0.1525721), wk = 0.0032895 k( 198) = ( 0.4753086 0.3314418 0.1525721), wk = 0.0032895 k( 199) = ( 0.4691358 0.3421335 0.1525721), wk = 0.0032895 k( 200) = ( 0.4629630 0.3528252 0.1525721), wk = 0.0032895 k( 201) = ( 0.4567901 0.3635168 0.1525721), wk = 0.0032895 k( 202) = ( 0.4506173 0.3742085 0.1525721), wk = 0.0032895 k( 203) = ( 0.4444444 0.3849002 0.1525721), wk = 0.0032895 k( 204) = ( 0.4382716 0.3955918 0.1525721), wk = 0.0032895 k( 205) = ( 0.4320988 0.4062835 0.1525721), wk = 0.0032895 k( 206) = ( 0.4259259 0.4169752 0.1525721), wk = 0.0032895 k( 207) = ( 0.4197531 0.4276669 0.1525721), wk = 0.0032895 k( 208) = ( 0.4135802 0.4383585 0.1525721), wk = 0.0032895 k( 209) = ( 0.4074074 0.4490502 0.1525721), wk = 0.0032895 k( 210) = ( 0.4012346 0.4597419 0.1525721), wk = 0.0032895 k( 211) = ( 0.3950617 0.4704335 0.1525721), wk = 0.0032895 k( 212) = ( 0.3888889 0.4811252 0.1525721), wk = 0.0032895 k( 213) = ( 0.3827160 0.4918169 0.1525721), wk = 0.0032895 k( 214) = ( 0.3765432 0.5025086 0.1525721), wk = 0.0032895 k( 215) = ( 0.3703704 0.5132002 0.1525721), wk = 0.0032895 k( 216) = ( 0.3641975 0.5238919 0.1525721), wk = 0.0032895 k( 217) = ( 0.3580247 0.5345836 0.1525721), wk = 0.0032895 k( 218) = ( 0.3518519 0.5452753 0.1525721), wk = 0.0032895 k( 219) = ( 0.3456790 0.5559669 0.1525721), wk = 0.0032895 k( 220) = ( 0.3395062 0.5666586 0.1525721), wk = 0.0032895 k( 221) = ( 0.3333333 0.5773503 0.1525721), wk = 0.0032895 k( 222) = ( 0.3333333 0.5773503 0.1525721), wk = 0.0032895 k( 223) = ( 0.3271605 0.5666586 0.1525721), wk = 0.0032895 k( 224) = ( 0.3209877 0.5559669 0.1525721), wk = 0.0032895 k( 225) = ( 0.3148148 0.5452752 0.1525721), wk = 0.0032895 k( 226) = ( 0.3086420 0.5345836 0.1525721), wk = 0.0032895 k( 227) = ( 0.3024691 0.5238919 0.1525721), wk = 0.0032895 k( 228) = ( 0.2962963 0.5132002 0.1525721), wk = 0.0032895 k( 229) = ( 0.2901235 0.5025086 0.1525721), wk = 0.0032895 k( 230) = ( 0.2839506 0.4918169 0.1525721), wk = 0.0032895 k( 231) = ( 0.2777778 0.4811252 0.1525721), wk = 0.0032895 k( 232) = ( 0.2716049 0.4704336 0.1525721), wk = 0.0032895 k( 233) = ( 0.2654321 0.4597419 0.1525721), wk = 0.0032895 k( 234) = ( 0.2592593 0.4490502 0.1525721), wk = 0.0032895 k( 235) = ( 0.2530864 0.4383585 0.1525721), wk = 0.0032895 k( 236) = ( 0.2469136 0.4276669 0.1525721), wk = 0.0032895 k( 237) = ( 0.2407407 0.4169752 0.1525721), wk = 0.0032895 k( 238) = ( 0.2345679 0.4062835 0.1525721), wk = 0.0032895 k( 239) = ( 0.2283951 0.3955918 0.1525721), wk = 0.0032895 k( 240) = ( 0.2222222 0.3849002 0.1525721), wk = 0.0032895 k( 241) = ( 0.2160494 0.3742085 0.1525721), wk = 0.0032895 k( 242) = ( 0.2098765 0.3635168 0.1525721), wk = 0.0032895 k( 243) = ( 0.2037037 0.3528252 0.1525721), wk = 0.0032895 k( 244) = ( 0.1975309 0.3421335 0.1525721), wk = 0.0032895 k( 245) = ( 0.1913580 0.3314418 0.1525721), wk = 0.0032895 k( 246) = ( 0.1851852 0.3207502 0.1525721), wk = 0.0032895 k( 247) = ( 0.1790123 0.3100585 0.1525721), wk = 0.0032895 k( 248) = ( 0.1728395 0.2993668 0.1525721), wk = 0.0032895 k( 249) = ( 0.1666667 0.2886751 0.1525721), wk = 0.0032895 k( 250) = ( 0.1604938 0.2779835 0.1525721), wk = 0.0032895 k( 251) = ( 0.1543210 0.2672918 0.1525721), wk = 0.0032895 k( 252) = ( 0.1481482 0.2566001 0.1525721), wk = 0.0032895 k( 253) = ( 0.1419753 0.2459085 0.1525721), wk = 0.0032895 k( 254) = ( 0.1358025 0.2352168 0.1525721), wk = 0.0032895 k( 255) = ( 0.1296296 0.2245251 0.1525721), wk = 0.0032895 k( 256) = ( 0.1234568 0.2138334 0.1525721), wk = 0.0032895 k( 257) = ( 0.1172839 0.2031418 0.1525721), wk = 0.0032895 k( 258) = ( 0.1111111 0.1924501 0.1525721), wk = 0.0032895 k( 259) = ( 0.1049383 0.1817584 0.1525721), wk = 0.0032895 k( 260) = ( 0.0987654 0.1710667 0.1525721), wk = 0.0032895 k( 261) = ( 0.0925926 0.1603751 0.1525721), wk = 0.0032895 k( 262) = ( 0.0864198 0.1496834 0.1525721), wk = 0.0032895 k( 263) = ( 0.0802469 0.1389917 0.1525721), wk = 0.0032895 k( 264) = ( 0.0740741 0.1283001 0.1525721), wk = 0.0032895 k( 265) = ( 0.0679012 0.1176084 0.1525721), wk = 0.0032895 k( 266) = ( 0.0617284 0.1069167 0.1525721), wk = 0.0032895 k( 267) = ( 0.0555556 0.0962251 0.1525721), wk = 0.0032895 k( 268) = ( 0.0493827 0.0855334 0.1525721), wk = 0.0032895 k( 269) = ( 0.0432099 0.0748417 0.1525721), wk = 0.0032895 k( 270) = ( 0.0370370 0.0641500 0.1525721), wk = 0.0032895 k( 271) = ( 0.0308642 0.0534584 0.1525721), wk = 0.0032895 k( 272) = ( 0.0246914 0.0427667 0.1525721), wk = 0.0032895 k( 273) = ( 0.0185185 0.0320750 0.1525721), wk = 0.0032895 k( 274) = ( 0.0123457 0.0213833 0.1525721), wk = 0.0032895 k( 275) = ( 0.0061728 0.0106917 0.1525721), wk = 0.0032895 k( 276) = ( 0.0000000 0.0000000 0.1525721), wk = 0.0032895 k( 277) = ( 0.5000000 0.2886751 0.1525721), wk = 0.0032895 k( 278) = ( 0.5000000 0.2886751 0.1408358), wk = 0.0032895 k( 279) = ( 0.5000000 0.2886751 0.1290995), wk = 0.0032895 k( 280) = ( 0.5000000 0.2886751 0.1173631), wk = 0.0032895 k( 281) = ( 0.5000000 0.2886751 0.1056268), wk = 0.0032895 k( 282) = ( 0.5000000 0.2886751 0.0938905), wk = 0.0032895 k( 283) = ( 0.5000000 0.2886751 0.0821542), wk = 0.0032895 k( 284) = ( 0.5000000 0.2886751 0.0704179), wk = 0.0032895 k( 285) = ( 0.5000000 0.2886751 0.0586816), wk = 0.0032895 k( 286) = ( 0.5000000 0.2886751 0.0469453), wk = 0.0032895 k( 287) = ( 0.5000000 0.2886751 0.0352089), wk = 0.0032895 k( 288) = ( 0.5000000 0.2886751 0.0234726), wk = 0.0032895 k( 289) = ( 0.5000000 0.2886751 0.0117363), wk = 0.0032895 k( 290) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0032895 k( 291) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0032895 k( 292) = ( 0.3333333 0.5773503 0.0117363), wk = 0.0032895 k( 293) = ( 0.3333333 0.5773503 0.0234726), wk = 0.0032895 k( 294) = ( 0.3333333 0.5773503 0.0352089), wk = 0.0032895 k( 295) = ( 0.3333333 0.5773503 0.0469453), wk = 0.0032895 k( 296) = ( 0.3333333 0.5773503 0.0586816), wk = 0.0032895 k( 297) = ( 0.3333333 0.5773503 0.0704179), wk = 0.0032895 k( 298) = ( 0.3333333 0.5773503 0.0821542), wk = 0.0032895 k( 299) = ( 0.3333333 0.5773503 0.0938905), wk = 0.0032895 k( 300) = ( 0.3333333 0.5773503 0.1056268), wk = 0.0032895 k( 301) = ( 0.3333333 0.5773503 0.1173631), wk = 0.0032895 k( 302) = ( 0.3333333 0.5773503 0.1290995), wk = 0.0032895 k( 303) = ( 0.3333333 0.5773503 0.1408358), wk = 0.0032895 k( 304) = ( 0.3333333 0.5773503 0.1525721), wk = 0.0032895 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032895 k( 2) = ( 0.0106383 0.0000000 0.0000000), wk = 0.0032895 k( 3) = ( 0.0212766 0.0000000 0.0000000), wk = 0.0032895 k( 4) = ( 0.0319149 -0.0000000 -0.0000000), wk = 0.0032895 k( 5) = ( 0.0425532 0.0000000 -0.0000000), wk = 0.0032895 k( 6) = ( 0.0531915 0.0000000 0.0000000), wk = 0.0032895 k( 7) = ( 0.0638298 0.0000000 0.0000000), wk = 0.0032895 k( 8) = ( 0.0744681 -0.0000000 -0.0000000), wk = 0.0032895 k( 9) = ( 0.0851064 0.0000000 -0.0000000), wk = 0.0032895 k( 10) = ( 0.0957447 0.0000000 -0.0000000), wk = 0.0032895 k( 11) = ( 0.1063830 0.0000000 0.0000000), wk = 0.0032895 k( 12) = ( 0.1170213 0.0000000 -0.0000000), wk = 0.0032895 k( 13) = ( 0.1276596 0.0000000 0.0000000), wk = 0.0032895 k( 14) = ( 0.1382979 0.0000000 -0.0000000), wk = 0.0032895 k( 15) = ( 0.1489362 -0.0000000 -0.0000000), wk = 0.0032895 k( 16) = ( 0.1595745 0.0000000 0.0000000), wk = 0.0032895 k( 17) = ( 0.1702128 0.0000000 -0.0000000), wk = 0.0032895 k( 18) = ( 0.1808511 0.0000000 0.0000000), wk = 0.0032895 k( 19) = ( 0.1914894 0.0000000 -0.0000000), wk = 0.0032895 k( 20) = ( 0.2021277 0.0000000 -0.0000000), wk = 0.0032895 k( 21) = ( 0.2127660 0.0000000 0.0000000), wk = 0.0032895 k( 22) = ( 0.2234043 0.0000000 -0.0000000), wk = 0.0032895 k( 23) = ( 0.2340425 0.0000000 -0.0000000), wk = 0.0032895 k( 24) = ( 0.2446809 0.0000000 -0.0000000), wk = 0.0032895 k( 25) = ( 0.2553191 0.0000000 -0.0000000), wk = 0.0032895 k( 26) = ( 0.2659574 0.0000000 0.0000000), wk = 0.0032895 k( 27) = ( 0.2765957 0.0000000 -0.0000000), wk = 0.0032895 k( 28) = ( 0.2872340 0.0000000 0.0000000), wk = 0.0032895 k( 29) = ( 0.2978723 -0.0000000 -0.0000000), wk = 0.0032895 k( 30) = ( 0.3085106 -0.0000000 -0.0000000), wk = 0.0032895 k( 31) = ( 0.3191489 0.0000000 0.0000000), wk = 0.0032895 k( 32) = ( 0.3297872 -0.0000000 -0.0000000), wk = 0.0032895 k( 33) = ( 0.3404255 0.0000000 -0.0000000), wk = 0.0032895 k( 34) = ( 0.3510638 0.0000000 -0.0000000), wk = 0.0032895 k( 35) = ( 0.3617021 0.0000000 -0.0000000), wk = 0.0032895 k( 36) = ( 0.3723404 0.0000000 -0.0000000), wk = 0.0032895 k( 37) = ( 0.3829787 0.0000000 -0.0000000), wk = 0.0032895 k( 38) = ( 0.3936170 0.0000000 -0.0000000), wk = 0.0032895 k( 39) = ( 0.4042553 0.0000000 -0.0000000), wk = 0.0032895 k( 40) = ( 0.4148936 0.0000000 -0.0000000), wk = 0.0032895 k( 41) = ( 0.4255319 0.0000000 -0.0000000), wk = 0.0032895 k( 42) = ( 0.4361702 -0.0000000 -0.0000000), wk = 0.0032895 k( 43) = ( 0.4468085 -0.0000000 -0.0000000), wk = 0.0032895 k( 44) = ( 0.4574468 0.0000000 -0.0000000), wk = 0.0032895 k( 45) = ( 0.4680851 0.0000000 0.0000000), wk = 0.0032895 k( 46) = ( 0.4787234 -0.0000000 -0.0000000), wk = 0.0032895 k( 47) = ( 0.4893617 0.0000000 -0.0000000), wk = 0.0032895 k( 48) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0032895 k( 49) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0032895 k( 50) = ( 0.4938272 0.0123457 -0.0000000), wk = 0.0032895 k( 51) = ( 0.4876543 0.0246914 -0.0000000), wk = 0.0032895 k( 52) = ( 0.4814815 0.0370370 0.0000000), wk = 0.0032895 k( 53) = ( 0.4753086 0.0493827 0.0000000), wk = 0.0032895 k( 54) = ( 0.4691358 0.0617284 0.0000000), wk = 0.0032895 k( 55) = ( 0.4629630 0.0740741 -0.0000000), wk = 0.0032895 k( 56) = ( 0.4567901 0.0864198 -0.0000000), wk = 0.0032895 k( 57) = ( 0.4506173 0.0987654 -0.0000000), wk = 0.0032895 k( 58) = ( 0.4444444 0.1111111 -0.0000000), wk = 0.0032895 k( 59) = ( 0.4382716 0.1234568 -0.0000000), wk = 0.0032895 k( 60) = ( 0.4320988 0.1358025 0.0000000), wk = 0.0032895 k( 61) = ( 0.4259259 0.1481482 0.0000000), wk = 0.0032895 k( 62) = ( 0.4197531 0.1604938 -0.0000000), wk = 0.0032895 k( 63) = ( 0.4135802 0.1728395 -0.0000000), wk = 0.0032895 k( 64) = ( 0.4074074 0.1851852 0.0000000), wk = 0.0032895 k( 65) = ( 0.4012346 0.1975309 -0.0000000), wk = 0.0032895 k( 66) = ( 0.3950617 0.2098765 -0.0000000), wk = 0.0032895 k( 67) = ( 0.3888889 0.2222222 0.0000000), wk = 0.0032895 k( 68) = ( 0.3827160 0.2345679 0.0000000), wk = 0.0032895 k( 69) = ( 0.3765432 0.2469136 -0.0000000), wk = 0.0032895 k( 70) = ( 0.3703704 0.2592593 -0.0000000), wk = 0.0032895 k( 71) = ( 0.3641975 0.2716049 -0.0000000), wk = 0.0032895 k( 72) = ( 0.3580247 0.2839506 -0.0000000), wk = 0.0032895 k( 73) = ( 0.3518519 0.2962963 0.0000000), wk = 0.0032895 k( 74) = ( 0.3456790 0.3086420 -0.0000000), wk = 0.0032895 k( 75) = ( 0.3395062 0.3209877 -0.0000000), wk = 0.0032895 k( 76) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0032895 k( 77) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0032895 k( 78) = ( 0.3271605 0.3271605 -0.0000000), wk = 0.0032895 k( 79) = ( 0.3209877 0.3209876 -0.0000000), wk = 0.0032895 k( 80) = ( 0.3148148 0.3148148 0.0000000), wk = 0.0032895 k( 81) = ( 0.3086420 0.3086420 -0.0000000), wk = 0.0032895 k( 82) = ( 0.3024691 0.3024691 0.0000000), wk = 0.0032895 k( 83) = ( 0.2962963 0.2962963 -0.0000000), wk = 0.0032895 k( 84) = ( 0.2901235 0.2901235 -0.0000000), wk = 0.0032895 k( 85) = ( 0.2839506 0.2839506 0.0000000), wk = 0.0032895 k( 86) = ( 0.2777778 0.2777778 0.0000000), wk = 0.0032895 k( 87) = ( 0.2716049 0.2716049 0.0000000), wk = 0.0032895 k( 88) = ( 0.2654321 0.2654321 -0.0000000), wk = 0.0032895 k( 89) = ( 0.2592593 0.2592593 0.0000000), wk = 0.0032895 k( 90) = ( 0.2530864 0.2530864 -0.0000000), wk = 0.0032895 k( 91) = ( 0.2469136 0.2469136 0.0000000), wk = 0.0032895 k( 92) = ( 0.2407407 0.2407407 0.0000000), wk = 0.0032895 k( 93) = ( 0.2345679 0.2345679 0.0000000), wk = 0.0032895 k( 94) = ( 0.2283951 0.2283951 -0.0000000), wk = 0.0032895 k( 95) = ( 0.2222222 0.2222222 -0.0000000), wk = 0.0032895 k( 96) = ( 0.2160494 0.2160494 -0.0000000), wk = 0.0032895 k( 97) = ( 0.2098765 0.2098765 -0.0000000), wk = 0.0032895 k( 98) = ( 0.2037037 0.2037037 -0.0000000), wk = 0.0032895 k( 99) = ( 0.1975309 0.1975309 -0.0000000), wk = 0.0032895 k( 100) = ( 0.1913580 0.1913580 -0.0000000), wk = 0.0032895 k( 101) = ( 0.1851852 0.1851852 -0.0000000), wk = 0.0032895 k( 102) = ( 0.1790123 0.1790123 0.0000000), wk = 0.0032895 k( 103) = ( 0.1728395 0.1728395 -0.0000000), wk = 0.0032895 k( 104) = ( 0.1666667 0.1666667 0.0000000), wk = 0.0032895 k( 105) = ( 0.1604938 0.1604938 -0.0000000), wk = 0.0032895 k( 106) = ( 0.1543210 0.1543210 -0.0000000), wk = 0.0032895 k( 107) = ( 0.1481482 0.1481481 -0.0000000), wk = 0.0032895 k( 108) = ( 0.1419753 0.1419753 0.0000000), wk = 0.0032895 k( 109) = ( 0.1358025 0.1358025 0.0000000), wk = 0.0032895 k( 110) = ( 0.1296296 0.1296296 0.0000000), wk = 0.0032895 k( 111) = ( 0.1234568 0.1234568 0.0000000), wk = 0.0032895 k( 112) = ( 0.1172839 0.1172839 0.0000000), wk = 0.0032895 k( 113) = ( 0.1111111 0.1111111 -0.0000000), wk = 0.0032895 k( 114) = ( 0.1049383 0.1049383 -0.0000000), wk = 0.0032895 k( 115) = ( 0.0987654 0.0987654 -0.0000000), wk = 0.0032895 k( 116) = ( 0.0925926 0.0925926 0.0000000), wk = 0.0032895 k( 117) = ( 0.0864198 0.0864198 0.0000000), wk = 0.0032895 k( 118) = ( 0.0802469 0.0802469 -0.0000000), wk = 0.0032895 k( 119) = ( 0.0740741 0.0740741 0.0000000), wk = 0.0032895 k( 120) = ( 0.0679012 0.0679012 -0.0000000), wk = 0.0032895 k( 121) = ( 0.0617284 0.0617284 -0.0000000), wk = 0.0032895 k( 122) = ( 0.0555556 0.0555556 0.0000000), wk = 0.0032895 k( 123) = ( 0.0493827 0.0493827 0.0000000), wk = 0.0032895 k( 124) = ( 0.0432099 0.0432099 -0.0000000), wk = 0.0032895 k( 125) = ( 0.0370370 0.0370370 0.0000000), wk = 0.0032895 k( 126) = ( 0.0308642 0.0308642 -0.0000000), wk = 0.0032895 k( 127) = ( 0.0246914 0.0246914 0.0000000), wk = 0.0032895 k( 128) = ( 0.0185185 0.0185185 0.0000000), wk = 0.0032895 k( 129) = ( 0.0123457 0.0123457 0.0000000), wk = 0.0032895 k( 130) = ( 0.0061728 0.0061728 0.0000000), wk = 0.0032895 k( 131) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032895 k( 132) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032895 k( 133) = ( 0.0000000 0.0000000 0.0384615), wk = 0.0032895 k( 134) = ( 0.0000000 0.0000000 0.0769231), wk = 0.0032895 k( 135) = ( 0.0000000 0.0000000 0.1153846), wk = 0.0032895 k( 136) = ( 0.0000000 0.0000000 0.1538461), wk = 0.0032895 k( 137) = ( 0.0000000 0.0000000 0.1923077), wk = 0.0032895 k( 138) = ( 0.0000000 0.0000000 0.2307692), wk = 0.0032895 k( 139) = ( 0.0000000 0.0000000 0.2692308), wk = 0.0032895 k( 140) = ( 0.0000000 0.0000000 0.3076923), wk = 0.0032895 k( 141) = ( 0.0000000 0.0000000 0.3461538), wk = 0.0032895 k( 142) = ( 0.0000000 0.0000000 0.3846154), wk = 0.0032895 k( 143) = ( 0.0000000 0.0000000 0.4230769), wk = 0.0032895 k( 144) = ( 0.0000000 0.0000000 0.4615385), wk = 0.0032895 k( 145) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0032895 k( 146) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0032895 k( 147) = ( 0.0106383 0.0000000 0.5000000), wk = 0.0032895 k( 148) = ( 0.0212766 0.0000000 0.5000000), wk = 0.0032895 k( 149) = ( 0.0319149 -0.0000000 0.5000000), wk = 0.0032895 k( 150) = ( 0.0425532 0.0000000 0.5000000), wk = 0.0032895 k( 151) = ( 0.0531915 0.0000000 0.5000000), wk = 0.0032895 k( 152) = ( 0.0638298 0.0000000 0.5000000), wk = 0.0032895 k( 153) = ( 0.0744681 -0.0000000 0.5000000), wk = 0.0032895 k( 154) = ( 0.0851064 0.0000000 0.5000000), wk = 0.0032895 k( 155) = ( 0.0957447 0.0000000 0.5000000), wk = 0.0032895 k( 156) = ( 0.1063830 0.0000000 0.5000000), wk = 0.0032895 k( 157) = ( 0.1170213 0.0000000 0.5000000), wk = 0.0032895 k( 158) = ( 0.1276596 0.0000000 0.5000000), wk = 0.0032895 k( 159) = ( 0.1382979 0.0000000 0.5000000), wk = 0.0032895 k( 160) = ( 0.1489362 -0.0000000 0.5000000), wk = 0.0032895 k( 161) = ( 0.1595745 0.0000000 0.5000000), wk = 0.0032895 k( 162) = ( 0.1702128 0.0000000 0.5000000), wk = 0.0032895 k( 163) = ( 0.1808511 0.0000000 0.5000000), wk = 0.0032895 k( 164) = ( 0.1914894 0.0000000 0.5000000), wk = 0.0032895 k( 165) = ( 0.2021277 0.0000000 0.5000000), wk = 0.0032895 k( 166) = ( 0.2127660 0.0000000 0.5000000), wk = 0.0032895 k( 167) = ( 0.2234043 0.0000000 0.5000000), wk = 0.0032895 k( 168) = ( 0.2340425 0.0000000 0.5000000), wk = 0.0032895 k( 169) = ( 0.2446809 0.0000000 0.5000000), wk = 0.0032895 k( 170) = ( 0.2553191 0.0000000 0.5000000), wk = 0.0032895 k( 171) = ( 0.2659574 0.0000000 0.5000000), wk = 0.0032895 k( 172) = ( 0.2765957 0.0000000 0.5000000), wk = 0.0032895 k( 173) = ( 0.2872340 0.0000000 0.5000000), wk = 0.0032895 k( 174) = ( 0.2978723 -0.0000000 0.5000000), wk = 0.0032895 k( 175) = ( 0.3085106 -0.0000000 0.5000000), wk = 0.0032895 k( 176) = ( 0.3191489 0.0000000 0.5000000), wk = 0.0032895 k( 177) = ( 0.3297872 -0.0000000 0.5000000), wk = 0.0032895 k( 178) = ( 0.3404255 0.0000000 0.5000000), wk = 0.0032895 k( 179) = ( 0.3510638 0.0000000 0.5000000), wk = 0.0032895 k( 180) = ( 0.3617021 0.0000000 0.5000000), wk = 0.0032895 k( 181) = ( 0.3723404 0.0000000 0.5000000), wk = 0.0032895 k( 182) = ( 0.3829787 0.0000000 0.5000000), wk = 0.0032895 k( 183) = ( 0.3936170 0.0000000 0.5000000), wk = 0.0032895 k( 184) = ( 0.4042553 0.0000000 0.5000000), wk = 0.0032895 k( 185) = ( 0.4148936 0.0000000 0.5000000), wk = 0.0032895 k( 186) = ( 0.4255319 0.0000000 0.5000000), wk = 0.0032895 k( 187) = ( 0.4361702 -0.0000000 0.5000000), wk = 0.0032895 k( 188) = ( 0.4468085 -0.0000000 0.5000000), wk = 0.0032895 k( 189) = ( 0.4574468 0.0000000 0.5000000), wk = 0.0032895 k( 190) = ( 0.4680851 0.0000000 0.5000000), wk = 0.0032895 k( 191) = ( 0.4787234 -0.0000000 0.5000000), wk = 0.0032895 k( 192) = ( 0.4893617 0.0000000 0.5000000), wk = 0.0032895 k( 193) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0032895 k( 194) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0032895 k( 195) = ( 0.4938272 0.0123457 0.5000000), wk = 0.0032895 k( 196) = ( 0.4876543 0.0246914 0.5000000), wk = 0.0032895 k( 197) = ( 0.4814815 0.0370370 0.5000000), wk = 0.0032895 k( 198) = ( 0.4753086 0.0493827 0.5000000), wk = 0.0032895 k( 199) = ( 0.4691358 0.0617284 0.5000000), wk = 0.0032895 k( 200) = ( 0.4629630 0.0740741 0.5000000), wk = 0.0032895 k( 201) = ( 0.4567901 0.0864198 0.5000000), wk = 0.0032895 k( 202) = ( 0.4506173 0.0987654 0.5000000), wk = 0.0032895 k( 203) = ( 0.4444444 0.1111111 0.5000000), wk = 0.0032895 k( 204) = ( 0.4382716 0.1234568 0.5000000), wk = 0.0032895 k( 205) = ( 0.4320988 0.1358025 0.5000000), wk = 0.0032895 k( 206) = ( 0.4259259 0.1481482 0.5000000), wk = 0.0032895 k( 207) = ( 0.4197531 0.1604938 0.5000000), wk = 0.0032895 k( 208) = ( 0.4135802 0.1728395 0.5000000), wk = 0.0032895 k( 209) = ( 0.4074074 0.1851852 0.5000000), wk = 0.0032895 k( 210) = ( 0.4012346 0.1975309 0.5000000), wk = 0.0032895 k( 211) = ( 0.3950617 0.2098765 0.5000000), wk = 0.0032895 k( 212) = ( 0.3888889 0.2222222 0.5000000), wk = 0.0032895 k( 213) = ( 0.3827160 0.2345679 0.5000000), wk = 0.0032895 k( 214) = ( 0.3765432 0.2469136 0.5000000), wk = 0.0032895 k( 215) = ( 0.3703704 0.2592593 0.5000000), wk = 0.0032895 k( 216) = ( 0.3641975 0.2716049 0.5000000), wk = 0.0032895 k( 217) = ( 0.3580247 0.2839506 0.5000000), wk = 0.0032895 k( 218) = ( 0.3518519 0.2962963 0.5000000), wk = 0.0032895 k( 219) = ( 0.3456790 0.3086420 0.5000000), wk = 0.0032895 k( 220) = ( 0.3395062 0.3209877 0.5000000), wk = 0.0032895 k( 221) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0032895 k( 222) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0032895 k( 223) = ( 0.3271605 0.3271605 0.5000000), wk = 0.0032895 k( 224) = ( 0.3209877 0.3209876 0.5000000), wk = 0.0032895 k( 225) = ( 0.3148148 0.3148148 0.5000000), wk = 0.0032895 k( 226) = ( 0.3086420 0.3086420 0.5000000), wk = 0.0032895 k( 227) = ( 0.3024691 0.3024691 0.5000000), wk = 0.0032895 k( 228) = ( 0.2962963 0.2962963 0.5000000), wk = 0.0032895 k( 229) = ( 0.2901235 0.2901235 0.5000000), wk = 0.0032895 k( 230) = ( 0.2839506 0.2839506 0.5000000), wk = 0.0032895 k( 231) = ( 0.2777778 0.2777778 0.5000000), wk = 0.0032895 k( 232) = ( 0.2716049 0.2716049 0.5000000), wk = 0.0032895 k( 233) = ( 0.2654321 0.2654321 0.5000000), wk = 0.0032895 k( 234) = ( 0.2592593 0.2592593 0.5000000), wk = 0.0032895 k( 235) = ( 0.2530864 0.2530864 0.5000000), wk = 0.0032895 k( 236) = ( 0.2469136 0.2469136 0.5000000), wk = 0.0032895 k( 237) = ( 0.2407407 0.2407407 0.5000000), wk = 0.0032895 k( 238) = ( 0.2345679 0.2345679 0.5000000), wk = 0.0032895 k( 239) = ( 0.2283951 0.2283951 0.5000000), wk = 0.0032895 k( 240) = ( 0.2222222 0.2222222 0.5000000), wk = 0.0032895 k( 241) = ( 0.2160494 0.2160494 0.5000000), wk = 0.0032895 k( 242) = ( 0.2098765 0.2098765 0.5000000), wk = 0.0032895 k( 243) = ( 0.2037037 0.2037037 0.5000000), wk = 0.0032895 k( 244) = ( 0.1975309 0.1975309 0.5000000), wk = 0.0032895 k( 245) = ( 0.1913580 0.1913580 0.5000000), wk = 0.0032895 k( 246) = ( 0.1851852 0.1851852 0.5000000), wk = 0.0032895 k( 247) = ( 0.1790123 0.1790123 0.5000000), wk = 0.0032895 k( 248) = ( 0.1728395 0.1728395 0.5000000), wk = 0.0032895 k( 249) = ( 0.1666667 0.1666667 0.5000000), wk = 0.0032895 k( 250) = ( 0.1604938 0.1604938 0.5000000), wk = 0.0032895 k( 251) = ( 0.1543210 0.1543210 0.5000000), wk = 0.0032895 k( 252) = ( 0.1481482 0.1481481 0.5000000), wk = 0.0032895 k( 253) = ( 0.1419753 0.1419753 0.5000000), wk = 0.0032895 k( 254) = ( 0.1358025 0.1358025 0.5000000), wk = 0.0032895 k( 255) = ( 0.1296296 0.1296296 0.5000000), wk = 0.0032895 k( 256) = ( 0.1234568 0.1234568 0.5000000), wk = 0.0032895 k( 257) = ( 0.1172839 0.1172839 0.5000000), wk = 0.0032895 k( 258) = ( 0.1111111 0.1111111 0.5000000), wk = 0.0032895 k( 259) = ( 0.1049383 0.1049383 0.5000000), wk = 0.0032895 k( 260) = ( 0.0987654 0.0987654 0.5000000), wk = 0.0032895 k( 261) = ( 0.0925926 0.0925926 0.5000000), wk = 0.0032895 k( 262) = ( 0.0864198 0.0864198 0.5000000), wk = 0.0032895 k( 263) = ( 0.0802469 0.0802469 0.5000000), wk = 0.0032895 k( 264) = ( 0.0740741 0.0740741 0.5000000), wk = 0.0032895 k( 265) = ( 0.0679012 0.0679012 0.5000000), wk = 0.0032895 k( 266) = ( 0.0617284 0.0617284 0.5000000), wk = 0.0032895 k( 267) = ( 0.0555556 0.0555556 0.5000000), wk = 0.0032895 k( 268) = ( 0.0493827 0.0493827 0.5000000), wk = 0.0032895 k( 269) = ( 0.0432099 0.0432099 0.5000000), wk = 0.0032895 k( 270) = ( 0.0370370 0.0370370 0.5000000), wk = 0.0032895 k( 271) = ( 0.0308642 0.0308642 0.5000000), wk = 0.0032895 k( 272) = ( 0.0246914 0.0246914 0.5000000), wk = 0.0032895 k( 273) = ( 0.0185185 0.0185185 0.5000000), wk = 0.0032895 k( 274) = ( 0.0123457 0.0123457 0.5000000), wk = 0.0032895 k( 275) = ( 0.0061728 0.0061728 0.5000000), wk = 0.0032895 k( 276) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0032895 k( 277) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0032895 k( 278) = ( 0.5000000 0.0000000 0.4615385), wk = 0.0032895 k( 279) = ( 0.5000000 0.0000000 0.4230769), wk = 0.0032895 k( 280) = ( 0.5000000 0.0000000 0.3846154), wk = 0.0032895 k( 281) = ( 0.5000000 0.0000000 0.3461538), wk = 0.0032895 k( 282) = ( 0.5000000 0.0000000 0.3076923), wk = 0.0032895 k( 283) = ( 0.5000000 0.0000000 0.2692308), wk = 0.0032895 k( 284) = ( 0.5000000 0.0000000 0.2307692), wk = 0.0032895 k( 285) = ( 0.5000000 0.0000000 0.1923077), wk = 0.0032895 k( 286) = ( 0.5000000 0.0000000 0.1538461), wk = 0.0032895 k( 287) = ( 0.5000000 0.0000000 0.1153846), wk = 0.0032895 k( 288) = ( 0.5000000 0.0000000 0.0769231), wk = 0.0032895 k( 289) = ( 0.5000000 0.0000000 0.0384615), wk = 0.0032895 k( 290) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0032895 k( 291) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0032895 k( 292) = ( 0.3333333 0.3333333 0.0384615), wk = 0.0032895 k( 293) = ( 0.3333333 0.3333333 0.0769231), wk = 0.0032895 k( 294) = ( 0.3333333 0.3333333 0.1153846), wk = 0.0032895 k( 295) = ( 0.3333333 0.3333333 0.1538461), wk = 0.0032895 k( 296) = ( 0.3333333 0.3333333 0.1923077), wk = 0.0032895 k( 297) = ( 0.3333333 0.3333333 0.2307692), wk = 0.0032895 k( 298) = ( 0.3333333 0.3333333 0.2692308), wk = 0.0032895 k( 299) = ( 0.3333333 0.3333333 0.3076923), wk = 0.0032895 k( 300) = ( 0.3333333 0.3333333 0.3461538), wk = 0.0032895 k( 301) = ( 0.3333333 0.3333333 0.3846154), wk = 0.0032895 k( 302) = ( 0.3333333 0.3333333 0.4230769), wk = 0.0032895 k( 303) = ( 0.3333333 0.3333333 0.4615385), wk = 0.0032895 k( 304) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0032895 Dense grid: 70307 G-vectors FFT dimensions: ( 40, 40, 120) Smooth grid: 54829 G-vectors FFT dimensions: ( 36, 36, 120) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.44 Mb ( 426, 68) NL pseudopotentials 0.61 Mb ( 213, 188) Each V/rho on FFT grid 0.10 Mb ( 6400) Each G-vector array 0.01 Mb ( 1953) G-vector shells 0.01 Mb ( 989) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.77 Mb ( 426, 272) Each subspace H/S matrix 0.07 Mb ( 68, 68) Each matrix 0.39 Mb ( 188, 2, 68) The potential is recalculated from file : ./Zr2NiAs2.save/charge-density.dat Starting wfc are 140 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.9 secs Computing kpt #: 2 total cpu time spent up to now is 4.0 secs Computing kpt #: 3 total cpu time spent up to now is 5.0 secs Computing kpt #: 4 total cpu time spent up to now is 6.1 secs Computing kpt #: 5 total cpu time spent up to now is 7.2 secs Computing kpt #: 6 total cpu time spent up to now is 8.2 secs Computing kpt #: 7 total cpu time spent up to now is 9.4 secs Computing kpt #: 8 total cpu time spent up to now is 10.6 secs Computing kpt #: 9 total cpu time spent up to now is 11.7 secs Computing kpt #: 10 total cpu time spent up to now is 12.9 secs Computing kpt #: 11 total cpu time spent up to now is 14.0 secs Computing kpt #: 12 total cpu time spent up to now is 15.1 secs Computing kpt #: 13 total cpu time spent up to now is 16.3 secs Computing kpt #: 14 total cpu time spent up to now is 17.5 secs Computing kpt #: 15 total cpu time spent up to now is 18.8 secs Computing kpt #: 16 total cpu time spent up to now is 20.0 secs Computing kpt #: 17 total cpu time spent up to now is 21.0 secs Computing kpt #: 18 total cpu time spent up to now is 22.2 secs Computing kpt #: 19 total cpu time spent up to now is 23.4 secs Computing kpt #: 20 total cpu time spent up to now is 24.6 secs Computing kpt #: 21 total cpu time spent up to now is 25.8 secs Computing kpt #: 22 total cpu time spent up to now is 26.9 secs Computing kpt #: 23 total cpu time spent up to now is 28.1 secs Computing kpt #: 24 total cpu time spent up to now is 29.2 secs Computing kpt #: 25 total cpu time spent up to now is 30.4 secs Computing kpt #: 26 total cpu time spent up to now is 31.5 secs Computing kpt #: 27 total cpu time spent up to now is 32.5 secs Computing kpt #: 28 total cpu time spent up to now is 33.6 secs Computing kpt #: 29 total cpu time spent up to now is 34.6 secs Computing kpt #: 30 total cpu time spent up to now is 35.8 secs Computing kpt #: 31 total cpu time spent up to now is 36.8 secs Computing kpt #: 32 total cpu time spent up to now is 37.9 secs Computing kpt #: 33 total cpu time spent up to now is 39.1 secs Computing kpt #: 34 total cpu time spent up to now is 40.2 secs Computing kpt #: 35 total cpu time spent up to now is 41.3 secs Computing kpt #: 36 total cpu time spent up to now is 42.5 secs Computing kpt #: 37 total cpu time spent up to now is 43.6 secs Computing kpt #: 38 total cpu time spent up to now is 44.8 secs Computing kpt #: 39 total cpu time spent up to now is 45.9 secs Computing kpt #: 40 total cpu time spent up to now is 47.0 secs Computing kpt #: 41 total cpu time spent up to now is 48.2 secs Computing kpt #: 42 total cpu time spent up to now is 49.4 secs Computing kpt #: 43 total cpu time spent up to now is 50.7 secs Computing kpt #: 44 total cpu time spent up to now is 51.9 secs Computing kpt #: 45 total cpu time spent up to now is 53.1 secs Computing kpt #: 46 total cpu time spent up to now is 54.3 secs Computing kpt #: 47 total cpu time spent up to now is 55.4 secs Computing kpt #: 48 total cpu time spent up to now is 56.6 secs Computing kpt #: 49 total cpu time spent up to now is 57.8 secs Computing kpt #: 50 total cpu time spent up to now is 59.0 secs Computing kpt #: 51 total cpu time spent up to now is 60.2 secs Computing kpt #: 52 total cpu time spent up to now is 61.4 secs Computing kpt #: 53 total cpu time spent up to now is 62.6 secs Computing kpt #: 54 total cpu time spent up to now is 63.8 secs Computing kpt #: 55 total cpu time spent up to now is 65.3 secs Computing kpt #: 56 total cpu time spent up to now is 66.8 secs Computing kpt #: 57 total cpu time spent up to now is 68.0 secs Computing kpt #: 58 total cpu time spent up to now is 69.2 secs Computing kpt #: 59 total cpu time spent up to now is 70.4 secs Computing kpt #: 60 total cpu time spent up to now is 71.7 secs Computing kpt #: 61 total cpu time spent up to now is 73.0 secs Computing kpt #: 62 total cpu time spent up to now is 74.3 secs Computing kpt #: 63 total cpu time spent up to now is 75.6 secs Computing kpt #: 64 total cpu time spent up to now is 76.9 secs Computing kpt #: 65 total cpu time spent up to now is 78.4 secs Computing kpt #: 66 total cpu time spent up to now is 79.9 secs Computing kpt #: 67 total cpu time spent up to now is 81.4 secs Computing kpt #: 68 total cpu time spent up to now is 82.9 secs Computing kpt #: 69 total cpu time spent up to now is 84.2 secs Computing kpt #: 70 total cpu time spent up to now is 85.6 secs Computing kpt #: 71 total cpu time spent up to now is 86.9 secs Computing kpt #: 72 total cpu time spent up to now is 88.2 secs Computing kpt #: 73 total cpu time spent up to now is 89.5 secs Computing kpt #: 74 total cpu time spent up to now is 90.8 secs Computing kpt #: 75 total cpu time spent up to now is 92.0 secs Computing kpt #: 76 total cpu time spent up to now is 93.3 secs Computing kpt #: 77 total cpu time spent up to now is 94.6 secs Computing kpt #: 78 total cpu time spent up to now is 95.8 secs Computing kpt #: 79 total cpu time spent up to now is 97.0 secs Computing kpt #: 80 total cpu time spent up to now is 98.1 secs Computing kpt #: 81 total cpu time spent up to now is 99.3 secs Computing kpt #: 82 total cpu time spent up to now is 100.5 secs Computing kpt #: 83 total cpu time spent up to now is 101.6 secs Computing kpt #: 84 total cpu time spent up to now is 102.8 secs Computing kpt #: 85 total cpu time spent up to now is 103.9 secs Computing kpt #: 86 total cpu time spent up to now is 105.1 secs Computing kpt #: 87 total cpu time spent up to now is 106.2 secs Computing kpt #: 88 total cpu time spent up to now is 107.4 secs Computing kpt #: 89 total cpu time spent up to now is 108.6 secs Computing kpt #: 90 total cpu time spent up to now is 109.9 secs Computing kpt #: 91 total cpu time spent up to now is 111.1 secs Computing kpt #: 92 total cpu time spent up to now is 112.4 secs Computing kpt #: 93 total cpu time spent up to now is 113.7 secs Computing kpt #: 94 total cpu time spent up to now is 114.9 secs Computing kpt 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cpu time spent up to now is 134.7 secs Computing kpt #: 111 total cpu time spent up to now is 136.0 secs Computing kpt #: 112 total cpu time spent up to now is 137.2 secs Computing kpt #: 113 total cpu time spent up to now is 138.4 secs Computing kpt #: 114 total cpu time spent up to now is 139.6 secs Computing kpt #: 115 total cpu time spent up to now is 140.8 secs Computing kpt #: 116 total cpu time spent up to now is 142.1 secs Computing kpt #: 117 total cpu time spent up to now is 143.3 secs Computing kpt #: 118 total cpu time spent up to now is 144.9 secs Computing kpt #: 119 total cpu time spent up to now is 146.1 secs Computing kpt #: 120 total cpu time spent up to now is 147.3 secs Computing kpt #: 121 total cpu time spent up to now is 148.5 secs Computing kpt #: 122 total cpu time spent up to now is 150.0 secs Computing kpt #: 123 total cpu time spent up to now is 151.2 secs Computing kpt #: 124 total cpu time spent up to now is 152.2 secs Computing kpt #: 125 total cpu time 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to now is 169.1 secs Computing kpt #: 141 total cpu time spent up to now is 170.2 secs Computing kpt #: 142 total cpu time spent up to now is 171.3 secs Computing kpt #: 143 total cpu time spent up to now is 172.3 secs Computing kpt #: 144 total cpu time spent up to now is 173.4 secs Computing kpt #: 145 total cpu time spent up to now is 174.7 secs Computing kpt #: 146 total cpu time spent up to now is 175.9 secs Computing kpt #: 147 total cpu time spent up to now is 177.7 secs Computing kpt #: 148 total cpu time spent up to now is 179.6 secs Computing kpt #: 149 total cpu time spent up to now is 181.3 secs Computing kpt #: 150 total cpu time spent up to now is 182.8 secs Computing kpt #: 151 total cpu time spent up to now is 184.3 secs Computing kpt #: 152 total cpu time spent up to now is 185.8 secs Computing kpt #: 153 total cpu time spent up to now is 187.3 secs Computing kpt #: 154 total cpu time spent up to now is 188.5 secs Computing kpt #: 155 total cpu time spent up to now is 189.7 secs Computing kpt #: 156 total cpu time spent up to now is 191.0 secs Computing kpt #: 157 total cpu time spent up to now is 192.4 secs Computing kpt #: 158 total cpu time spent up to now is 193.5 secs Computing kpt #: 159 total cpu time spent up to now is 194.8 secs Computing kpt #: 160 total cpu time spent up to now is 196.3 secs Computing kpt #: 161 total cpu time spent up to now is 197.8 secs Computing kpt #: 162 total cpu time spent up to now is 199.0 secs Computing kpt #: 163 total cpu time spent up to now is 200.2 secs Computing kpt #: 164 total cpu time spent up to now is 201.5 secs Computing kpt #: 165 total cpu time spent up to now is 202.7 secs Computing kpt #: 166 total cpu time spent up to now is 203.9 secs Computing kpt #: 167 total cpu time spent up to now is 205.2 secs Computing kpt #: 168 total cpu time spent up to now is 206.5 secs Computing kpt #: 169 total cpu time spent up to now is 207.7 secs Computing kpt #: 170 total cpu time spent up to now is 208.9 secs Computing kpt #: 171 total cpu time spent up to now is 210.1 secs Computing kpt #: 172 total cpu time spent up to now is 211.4 secs Computing kpt #: 173 total cpu time spent up to now is 212.6 secs Computing kpt #: 174 total cpu time spent up to now is 213.9 secs Computing kpt #: 175 total cpu time spent up to now is 215.1 secs Computing kpt #: 176 total cpu time spent up to now is 216.3 secs Computing kpt #: 177 total cpu time spent up to now is 217.6 secs Computing kpt #: 178 total cpu time spent up to now is 218.8 secs Computing kpt #: 179 total cpu time spent up to now is 220.0 secs Computing kpt #: 180 total cpu time spent up to now is 221.2 secs Computing kpt #: 181 total cpu time spent up to now is 222.4 secs Computing kpt #: 182 total cpu time spent up to now is 223.6 secs Computing kpt #: 183 total cpu time spent up to now is 224.8 secs Computing kpt #: 184 total cpu time spent up to now is 226.0 secs Computing kpt #: 185 total cpu time spent up to now is 227.3 secs Computing kpt #: 186 total cpu time spent up to now is 228.5 secs Computing kpt #: 187 total cpu time spent up to now is 229.7 secs Computing kpt #: 188 total cpu time spent up to now is 231.0 secs Computing kpt #: 189 total cpu time spent up to now is 232.2 secs Computing kpt #: 190 total cpu time spent up to now is 233.4 secs Computing kpt #: 191 total cpu time spent up to now is 234.7 secs Computing kpt #: 192 total cpu time spent up to now is 235.9 secs Computing kpt #: 193 total cpu time spent up to now is 237.1 secs Computing kpt #: 194 total cpu time spent up to now is 238.3 secs Computing kpt #: 195 total cpu time spent up to now is 239.5 secs Computing kpt #: 196 total cpu time spent up to now is 240.7 secs Computing kpt #: 197 total cpu time spent up to now is 242.0 secs Computing kpt #: 198 total cpu time spent up to now is 243.3 secs Computing kpt #: 199 total cpu time spent up to now is 244.6 secs Computing kpt #: 200 total cpu time spent up to now is 245.9 secs Computing kpt #: 201 total cpu time spent up to now is 247.2 secs Computing kpt #: 202 total cpu time spent up to now is 248.4 secs Computing kpt #: 203 total cpu time spent up to now is 249.6 secs Computing kpt #: 204 total cpu time spent up to now is 250.8 secs Computing kpt #: 205 total cpu time spent up to now is 251.9 secs Computing kpt #: 206 total cpu time spent up to now is 253.1 secs Computing kpt #: 207 total cpu time spent up to now is 254.3 secs Computing kpt #: 208 total cpu time spent up to now is 255.4 secs Computing kpt #: 209 total cpu time spent up to now is 256.6 secs Computing kpt #: 210 total cpu time spent up to now is 257.8 secs Computing kpt #: 211 total cpu time spent up to now is 259.0 secs Computing kpt #: 212 total cpu time spent up to now is 260.3 secs Computing kpt #: 213 total cpu time spent up to now is 261.8 secs Computing kpt #: 214 total cpu time spent up to now is 263.3 secs Computing kpt #: 215 total cpu time spent up to now is 264.8 secs Computing kpt #: 216 total cpu time spent up to now is 266.2 secs Computing kpt #: 217 total cpu time spent up to now is 267.7 secs Computing kpt #: 218 total cpu time spent up to now is 269.2 secs Computing kpt #: 219 total cpu time spent up to now is 270.7 secs Computing kpt #: 220 total cpu time spent up to now is 272.2 secs Computing kpt #: 221 total cpu time spent up to now is 273.5 secs Computing kpt #: 222 total cpu time spent up to now is 274.8 secs Computing kpt #: 223 total cpu time spent up to now is 276.3 secs Computing kpt #: 224 total cpu time spent up to now is 277.8 secs Computing kpt #: 225 total cpu time spent up to now is 279.2 secs Computing kpt #: 226 total cpu time spent up to now is 280.6 secs Computing kpt #: 227 total cpu time spent up to now is 282.1 secs Computing kpt #: 228 total cpu time spent up to now is 283.4 secs Computing kpt #: 229 total cpu time spent up to now is 284.6 secs Computing kpt #: 230 total cpu time spent up to now is 285.8 secs Computing kpt #: 231 total cpu time spent up to now is 287.0 secs Computing kpt #: 232 total cpu time spent up to now is 288.2 secs Computing kpt #: 233 total cpu time spent up to now is 289.4 secs Computing kpt #: 234 total cpu time spent up to now is 290.5 secs Computing kpt #: 235 total cpu time spent up to now is 291.7 secs Computing kpt #: 236 total cpu time spent up to now is 292.8 secs Computing kpt #: 237 total cpu time spent up to now is 294.0 secs Computing kpt #: 238 total cpu time spent up to now is 295.2 secs Computing kpt #: 239 total cpu time spent up to now is 296.3 secs Computing kpt #: 240 total cpu time spent up to now is 297.5 secs Computing kpt #: 241 total cpu time spent up to now is 298.6 secs Computing kpt #: 242 total cpu time spent up to now is 299.8 secs Computing kpt #: 243 total cpu time spent up to now is 300.9 secs Computing kpt #: 244 total cpu time spent up to now is 302.1 secs Computing kpt #: 245 total cpu time spent up to now is 303.3 secs Computing kpt #: 246 total cpu time spent up to now is 304.4 secs Computing kpt #: 247 total cpu time spent up to now is 305.6 secs Computing kpt #: 248 total cpu time spent up to now is 306.7 secs Computing kpt #: 249 total cpu time spent up to now is 307.9 secs Computing kpt #: 250 total cpu time spent up to now is 309.1 secs Computing kpt #: 251 total cpu time spent up to now is 310.2 secs Computing kpt #: 252 total cpu time spent up to now is 311.3 secs Computing kpt #: 253 total cpu time spent up to now is 312.4 secs Computing kpt #: 254 total cpu time spent up to now is 313.5 secs Computing kpt #: 255 total cpu time spent up to now is 314.6 secs Computing kpt #: 256 total cpu time spent up to now is 315.7 secs Computing kpt #: 257 total cpu time spent up to now is 316.8 secs Computing kpt #: 258 total cpu time spent up to now is 317.9 secs Computing kpt #: 259 total cpu time spent up to now is 319.0 secs Computing kpt #: 260 total cpu time spent up to now is 320.1 secs Computing kpt #: 261 total cpu time spent up to now is 321.2 secs Computing kpt #: 262 total cpu time spent up to now is 322.3 secs Computing kpt #: 263 total cpu time spent up to now is 323.4 secs Computing kpt #: 264 total cpu time spent up to now is 324.6 secs Computing kpt #: 265 total cpu time spent up to now is 325.8 secs Computing kpt #: 266 total cpu time spent up to now is 327.1 secs Computing kpt #: 267 total cpu time spent up to now is 328.3 secs Computing kpt #: 268 total cpu time spent up to now is 329.7 secs Computing kpt #: 269 total cpu time spent up to now is 331.2 secs Computing kpt #: 270 total cpu time spent up to now is 332.8 secs Computing kpt #: 271 total cpu time spent up to now is 334.5 secs Computing kpt #: 272 total cpu time spent up to now is 336.0 secs Computing kpt #: 273 total cpu time spent up to now is 337.9 secs Computing kpt #: 274 total cpu time spent up to now is 339.8 secs Computing kpt #: 275 total cpu time spent up to now is 341.8 secs Computing kpt #: 276 total cpu time spent up to now is 343.3 secs Computing kpt #: 277 total cpu time spent up to now is 344.5 secs Computing kpt #: 278 total cpu time spent up to now is 345.7 secs Computing kpt #: 279 total cpu time spent up to now is 347.0 secs Computing kpt #: 280 total cpu time spent up to now is 348.3 secs Computing kpt #: 281 total cpu time spent up to now is 349.5 secs Computing kpt #: 282 total cpu time spent up to now is 350.9 secs Computing kpt #: 283 total cpu time spent up to now is 352.3 secs Computing kpt #: 284 total cpu time spent up to now is 353.6 secs Computing kpt #: 285 total cpu time spent up to now is 354.9 secs Computing kpt #: 286 total cpu time spent up to now is 356.1 secs Computing kpt #: 287 total cpu time spent up to now is 357.2 secs Computing kpt #: 288 total cpu time spent up to now is 358.4 secs Computing kpt #: 289 total cpu time spent up to now is 359.6 secs Computing kpt #: 290 total cpu time spent up to now is 360.8 secs Computing kpt #: 291 total cpu time spent up to now is 362.0 secs Computing kpt #: 292 total cpu time spent up to now is 363.3 secs Computing kpt #: 293 total cpu time spent up to now is 364.5 secs Computing kpt #: 294 total cpu time spent up to now is 366.2 secs Computing kpt #: 295 total cpu time spent up to now is 367.5 secs Computing kpt #: 296 total cpu time spent up to now is 368.7 secs Computing kpt #: 297 total cpu time spent up to now is 370.0 secs Computing kpt #: 298 total cpu time spent up to now is 371.3 secs Computing kpt #: 299 total cpu time spent up to now is 372.6 secs Computing kpt #: 300 total cpu time spent up to now is 374.0 secs Computing kpt #: 301 total cpu time spent up to now is 375.4 secs Computing kpt #: 302 total cpu time spent up to now is 376.7 secs Computing kpt #: 303 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 379.4 secs Computing kpt #: 304 total cpu time spent up to now is 380.7 secs ethr = 1.79E-08, avg # of iterations = 28.0 total cpu time spent up to now is 380.7 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 6853 PWs) bands (ev): -2.4469 -2.4469 -2.0740 -2.0740 -1.2147 -1.2147 -0.5779 -0.5779 4.5348 4.5348 5.8878 5.8878 5.9330 5.9330 5.9609 5.9609 6.0833 6.0833 6.1243 6.1243 6.9206 6.9206 7.5649 7.5649 7.6531 7.6531 8.2614 8.2614 8.2928 8.2928 8.3258 8.3258 8.3768 8.3768 8.4668 8.4668 8.8650 8.8650 8.9772 8.9772 9.6681 9.6681 9.6869 9.6869 10.0294 10.0294 10.3768 10.3768 10.8259 10.8259 10.9129 10.9129 11.0050 11.0050 11.2666 11.2666 11.2996 11.2996 11.3000 11.3000 11.3806 11.3806 11.4260 11.4260 11.5331 11.5331 11.5856 11.5856 k = 0.0106 0.0061-0.0000 ( 6867 PWs) bands (ev): -2.4457 -2.4457 -2.0731 -2.0731 -1.2138 -1.2138 -0.5779 -0.5779 4.5364 4.5364 5.8877 5.8877 5.9330 5.9330 5.9581 5.9581 6.0847 6.0847 6.1254 6.1254 6.9138 6.9138 7.5683 7.5683 7.6563 7.6563 8.2582 8.2582 8.2922 8.2922 8.3239 8.3239 8.3764 8.3764 8.4688 8.4688 8.8638 8.8638 8.9760 8.9760 9.6650 9.6650 9.6844 9.6844 10.0289 10.0289 10.3672 10.3672 10.8247 10.8247 10.8911 10.8911 10.9795 10.9795 11.2768 11.2768 11.3053 11.3053 11.3339 11.3339 11.3840 11.3840 11.4308 11.4308 11.5343 11.5343 11.5877 11.5877 k = 0.0213 0.0123-0.0000 ( 6875 PWs) bands (ev): -2.4420 -2.4420 -2.0703 -2.0703 -1.2114 -1.2114 -0.5779 -0.5779 4.5414 4.5414 5.8875 5.8875 5.9330 5.9330 5.9500 5.9500 6.0887 6.0887 6.1285 6.1285 6.8940 6.8940 7.5772 7.5772 7.6663 7.6663 8.2480 8.2480 8.2905 8.2905 8.3196 8.3196 8.3752 8.3752 8.4745 8.4745 8.8604 8.8604 8.9721 8.9721 9.6525 9.6525 9.6807 9.6807 10.0275 10.0275 10.3401 10.3401 10.8116 10.8116 10.8455 10.8455 10.9198 10.9198 11.2930 11.2930 11.3517 11.3517 11.3907 11.3907 11.3937 11.3937 11.4424 11.4424 11.5401 11.5401 11.5967 11.5967 k = 0.0319 0.0184-0.0000 ( 6879 PWs) bands (ev): -2.4357 -2.4357 -2.0657 -2.0657 -1.2073 -1.2073 -0.5779 -0.5779 4.5496 4.5496 5.8865 5.8865 5.9328 5.9328 5.9381 5.9381 6.0946 6.0946 6.1338 6.1338 6.8633 6.8633 7.5887 7.5887 7.6842 7.6842 8.2293 8.2293 8.2878 8.2878 8.3150 8.3150 8.3734 8.3734 8.4824 8.4824 8.8546 8.8546 8.9658 8.9658 9.6284 9.6284 9.6788 9.6788 10.0251 10.0251 10.2992 10.2992 10.7465 10.7465 10.8224 10.8224 10.8558 10.8558 11.3148 11.3148 11.3956 11.3956 11.4172 11.4172 11.4494 11.4494 11.4647 11.4647 11.5530 11.5530 11.6218 11.6218 k = 0.0426 0.0246-0.0000 ( 6879 PWs) bands (ev): -2.4271 -2.4271 -2.0593 -2.0593 -1.2016 -1.2016 -0.5778 -0.5778 4.5610 4.5610 5.8840 5.8840 5.9196 5.9196 5.9363 5.9363 6.1017 6.1017 6.1414 6.1414 6.8238 6.8238 7.6002 7.6002 7.7101 7.7101 8.2019 8.2019 8.2840 8.2840 8.3110 8.3110 8.3714 8.3714 8.4917 8.4917 8.8466 8.8466 8.9568 8.9568 9.5949 9.5949 9.6777 9.6777 10.0216 10.0216 10.2489 10.2489 10.6597 10.6597 10.7575 10.7575 10.8407 10.8407 11.3416 11.3416 11.3975 11.3975 11.4459 11.4459 11.4885 11.4885 11.5390 11.5390 11.5666 11.5666 11.6735 11.6735 k = 0.0532 0.0307-0.0000 ( 6871 PWs) bands (ev): -2.4159 -2.4159 -2.0510 -2.0510 -1.1944 -1.1944 -0.5778 -0.5778 4.5757 4.5757 5.8791 5.8791 5.8998 5.8998 5.9397 5.9397 6.1096 6.1096 6.1511 6.1511 6.7778 6.7778 7.6109 7.6109 7.7425 7.7425 8.1665 8.1665 8.2788 8.2788 8.3075 8.3075 8.3696 8.3696 8.5016 8.5016 8.8363 8.8363 8.9454 8.9454 9.5541 9.5541 9.6766 9.6766 10.0167 10.0167 10.1933 10.1933 10.5663 10.5663 10.6786 10.6786 10.8404 10.8404 11.3701 11.3701 11.3898 11.3898 11.4413 11.4413 11.5608 11.5608 11.5771 11.5771 11.6157 11.6157 11.7466 11.7466 k = 0.0638 0.0369-0.0000 ( 6875 PWs) bands (ev): -2.4024 -2.4024 -2.0409 -2.0409 -1.1855 -1.1855 -0.5777 -0.5777 4.5936 4.5936 5.8678 5.8678 5.8807 5.8807 5.9454 5.9454 6.1182 6.1182 6.1630 6.1630 6.7271 6.7271 7.6212 7.6212 7.7792 7.7792 8.1240 8.1240 8.2715 8.2715 8.3042 8.3042 8.3685 8.3685 8.5117 8.5117 8.8239 8.8239 8.9316 8.9316 9.5080 9.5080 9.6752 9.6752 10.0099 10.0099 10.1357 10.1357 10.4705 10.4705 10.5995 10.5995 10.8418 10.8418 11.3658 11.3658 11.3991 11.3991 11.4442 11.4442 11.5882 11.5882 11.6306 11.6306 11.6930 11.6930 11.8299 11.8299 k = 0.0745 0.0430-0.0000 ( 6879 PWs) bands (ev): -2.3864 -2.3864 -2.0291 -2.0291 -1.1751 -1.1751 -0.5776 -0.5776 4.6146 4.6146 5.8439 5.8439 5.8687 5.8687 5.9530 5.9530 6.1274 6.1274 6.1768 6.1768 6.6732 6.6732 7.6315 7.6315 7.8181 7.8181 8.0748 8.0748 8.2615 8.2615 8.3009 8.3009 8.3684 8.3684 8.5216 8.5216 8.8094 8.8094 8.9154 8.9154 9.4579 9.4579 9.6732 9.6732 10.0003 10.0003 10.0785 10.0785 10.3757 10.3757 10.5216 10.5216 10.8437 10.8437 11.3323 11.3323 11.4227 11.4227 11.4532 11.4532 11.6001 11.6001 11.6947 11.6947 11.7725 11.7725 11.9121 11.9121 k = 0.0851 0.0491-0.0000 ( 6887 PWs) bands (ev): -2.3681 -2.3681 -2.0156 -2.0156 -1.1633 -1.1633 -0.5775 -0.5775 4.6387 4.6387 5.8141 5.8141 5.8574 5.8574 5.9626 5.9626 6.1373 6.1373 6.1924 6.1924 6.6172 6.6172 7.6421 7.6421 7.8574 7.8574 8.0196 8.0196 8.2483 8.2483 8.2975 8.2975 8.3695 8.3695 8.5311 8.5311 8.7931 8.7931 8.8971 8.8971 9.4054 9.4054 9.6703 9.6703 9.9861 9.9861 10.0234 10.0234 10.2851 10.2851 10.4455 10.4455 10.8457 10.8457 11.2918 11.2918 11.4398 11.4398 11.4657 11.4657 11.6131 11.6131 11.7504 11.7504 11.8551 11.8551 11.9810 11.9810 k = 0.0957 0.0553-0.0000 ( 6883 PWs) bands (ev): -2.3474 -2.3474 -2.0003 -2.0003 -1.1499 -1.1499 -0.5773 -0.5773 4.6659 4.6659 5.7808 5.7808 5.8446 5.8446 5.9739 5.9739 6.1480 6.1480 6.2097 6.2097 6.5600 6.5600 7.6532 7.6532 7.8958 7.8958 7.9586 7.9586 8.2318 8.2318 8.2940 8.2940 8.3718 8.3718 8.5400 8.5400 8.7752 8.7752 8.8770 8.8770 9.3516 9.3516 9.6662 9.6662 9.9603 9.9603 9.9755 9.9755 10.2035 10.2035 10.3716 10.3716 10.8474 10.8474 11.2464 11.2464 11.4484 11.4484 11.4806 11.4806 11.6276 11.6276 11.7956 11.7956 11.9408 11.9408 12.0359 12.0359 k = 0.1064 0.0614-0.0000 ( 6881 PWs) bands (ev): -2.3245 -2.3245 -1.9834 -1.9834 -1.1352 -1.1352 -0.5771 -0.5771 4.6960 4.6960 5.7445 5.7445 5.8300 5.8300 5.9868 5.9868 6.1594 6.1594 6.2283 6.2283 6.5026 6.5026 7.6650 7.6650 7.8923 7.8923 7.9320 7.9320 8.2119 8.2119 8.2904 8.2904 8.3750 8.3750 8.5481 8.5481 8.7562 8.7562 8.8554 8.8554 9.2975 9.2975 9.6606 9.6606 9.9127 9.9127 9.9403 9.9403 10.1371 10.1371 10.3000 10.3000 10.8485 10.8485 11.1974 11.1974 11.4474 11.4474 11.4977 11.4977 11.6434 11.6434 11.8292 11.8292 12.0291 12.0291 12.0857 12.0857 k = 0.1170 0.0676-0.0000 ( 6883 PWs) bands (ev): -2.2993 -2.2993 -1.9648 -1.9648 -1.1191 -1.1191 -0.5769 -0.5769 4.7290 4.7290 5.7054 5.7054 5.8136 5.8136 6.0012 6.0012 6.1713 6.1713 6.2479 6.2479 6.4458 6.4458 7.6772 7.6772 7.8212 7.8212 7.9648 7.9648 8.1891 8.1891 8.2865 8.2865 8.3790 8.3790 8.5549 8.5549 8.7367 8.7367 8.8330 8.8330 9.2441 9.2441 9.6532 9.6532 9.8569 9.8569 9.9012 9.9012 10.0900 10.0900 10.2311 10.2311 10.8483 10.8483 11.1456 11.1456 11.4370 11.4370 11.5167 11.5167 11.6607 11.6607 11.8511 11.8511 12.1170 12.1170 12.1377 12.1377 k = 0.1277 0.0737-0.0000 ( 6889 PWs) bands (ev): -2.2720 -2.2720 -1.9447 -1.9447 -1.1017 -1.1017 -0.5765 -0.5765 4.7648 4.7648 5.6637 5.6637 5.7951 5.7951 6.0169 6.0169 6.1833 6.1833 6.2675 6.2675 6.3917 6.3917 7.6895 7.6895 7.7463 7.7463 7.9926 7.9926 8.1635 8.1635 8.2821 8.2821 8.3837 8.3837 8.5601 8.5601 8.7175 8.7175 8.8101 8.8101 9.1921 9.1921 9.6435 9.6435 9.7928 9.7928 9.8623 9.8623 10.0593 10.0593 10.1651 10.1651 10.8463 10.8463 11.0917 11.0917 11.4183 11.4183 11.5376 11.5376 11.6794 11.6794 11.8627 11.8627 12.1804 12.1804 12.2168 12.2168 k = 0.1383 0.0798-0.0000 ( 6883 PWs) bands (ev): -2.2426 -2.2426 -1.9231 -1.9231 -1.0831 -1.0831 -0.5761 -0.5761 4.8032 4.8032 5.6195 5.6195 5.7747 5.7747 6.0338 6.0338 6.1940 6.1940 6.2819 6.2819 6.3469 6.3469 7.6644 7.6644 7.7053 7.7053 8.0138 8.0138 8.1359 8.1359 8.2772 8.2772 8.3887 8.3887 8.5630 8.5630 8.6996 8.6996 8.7877 8.7877 9.1423 9.1423 9.6308 9.6308 9.7231 9.7231 9.8286 9.8286 10.0378 10.0378 10.1022 10.1022 10.8416 10.8416 11.0365 11.0365 11.3933 11.3933 11.5602 11.5602 11.6996 11.6996 11.8663 11.8663 12.2319 12.2319 12.3085 12.3085 k = 0.1489 0.0860-0.0000 ( 6883 PWs) bands (ev): -2.2111 -2.2111 -1.9000 -1.9000 -1.0634 -1.0634 -0.5756 -0.5756 4.8442 4.8442 5.5730 5.5730 5.7521 5.7521 6.0520 6.0520 6.1974 6.1974 6.2721 6.2721 6.3369 6.3369 7.5831 7.5831 7.7180 7.7180 8.0256 8.0256 8.1080 8.1080 8.2718 8.2718 8.3940 8.3940 8.5628 8.5628 8.6836 8.6836 8.7665 8.7665 9.0954 9.0954 9.6125 9.6125 9.6549 9.6549 9.8002 9.8002 10.0194 10.0194 10.0440 10.0440 10.8330 10.8330 10.9804 10.9804 11.3646 11.3646 11.5844 11.5844 11.7212 11.7212 11.8645 11.8645 12.2826 12.2826 12.3951 12.3951 k = 0.1596 0.0921-0.0000 ( 6889 PWs) bands (ev): -2.1777 -2.1777 -1.8756 -1.8756 -1.0425 -1.0425 -0.5750 -0.5750 4.8876 4.8876 5.5244 5.5244 5.7273 5.7273 6.0710 6.0710 6.1774 6.1774 6.2609 6.2609 6.3552 6.3552 7.4988 7.4988 7.7316 7.7316 8.0225 8.0225 8.0845 8.0845 8.2657 8.2657 8.3993 8.3993 8.5589 8.5589 8.6699 8.6699 8.7481 8.7481 9.0525 9.0525 9.5694 9.5694 9.6099 9.6099 9.7766 9.7766 9.9814 9.9814 10.0106 10.0106 10.8193 10.8193 10.9241 10.9241 11.3352 11.3352 11.6102 11.6102 11.7443 11.7443 11.8597 11.8597 12.3317 12.3317 12.4397 12.4397 k = 0.1702 0.0983-0.0000 ( 6883 PWs) bands (ev): -2.1424 -2.1424 -1.8498 -1.8498 -1.0206 -1.0206 -0.5743 -0.5743 4.9331 4.9331 5.4737 5.4737 5.7001 5.7001 6.0895 6.0895 6.1371 6.1371 6.2688 6.2688 6.3797 6.3797 7.4130 7.4130 7.7454 7.7454 8.0004 8.0004 8.0692 8.0692 8.2588 8.2588 8.4045 8.4045 8.5505 8.5505 8.6574 8.6574 8.7347 8.7347 9.0141 9.0141 9.5054 9.5054 9.5860 9.5860 9.7571 9.7571 9.9288 9.9288 9.9957 9.9957 10.7990 10.7990 10.8681 10.8681 11.3080 11.3080 11.6373 11.6373 11.7689 11.7689 11.8541 11.8541 12.3775 12.3775 12.4605 12.4605 k = 0.1809 0.1044-0.0000 ( 6877 PWs) bands (ev): -2.1053 -2.1053 -1.8228 -1.8228 -0.9979 -0.9979 -0.5735 -0.5735 4.9806 4.9806 5.4212 5.4212 5.6703 5.6703 6.0808 6.0808 6.1191 6.1191 6.2841 6.2841 6.4064 6.4064 7.3266 7.3266 7.7589 7.7589 7.9656 7.9656 8.0560 8.0560 8.2511 8.2511 8.4090 8.4090 8.5373 8.5373 8.6443 8.6443 8.7287 8.7287 8.9810 8.9810 9.4419 9.4419 9.5625 9.5625 9.7410 9.7410 9.8780 9.8780 9.9820 9.9820 10.7707 10.7707 10.8137 10.8137 11.2855 11.2855 11.6657 11.6657 11.7949 11.7949 11.8496 11.8496 12.4182 12.4182 12.4818 12.4818 k = 0.1915 0.1106-0.0000 ( 6875 PWs) bands (ev): -2.0666 -2.0666 -1.7947 -1.7947 -0.9742 -0.9742 -0.5724 -0.5724 5.0298 5.0298 5.3670 5.3670 5.6378 5.6378 6.0350 6.0350 6.1386 6.1386 6.3023 6.3023 6.4342 6.4342 7.2408 7.2408 7.7720 7.7720 7.9249 7.9249 8.0391 8.0391 8.2424 8.2424 8.4122 8.4122 8.5196 8.5196 8.6294 8.6294 8.7314 8.7314 8.9535 8.9535 9.3816 9.3816 9.5372 9.5372 9.7276 9.7276 9.8297 9.8297 9.9682 9.9682 10.7328 10.7328 10.7625 10.7625 11.2692 11.2692 11.6949 11.6949 11.8210 11.8210 11.8488 11.8488 12.4519 12.4519 12.5048 12.5048 k = 0.2021 0.1167-0.0000 ( 6877 PWs) bands (ev): -2.0263 -2.0263 -1.7655 -1.7655 -0.9499 -0.9499 -0.5712 -0.5712 5.0803 5.0803 5.3113 5.3113 5.6022 5.6022 5.9882 5.9882 6.1614 6.1614 6.3221 6.3221 6.4627 6.4627 7.1563 7.1563 7.7842 7.7842 7.8809 7.8809 8.0174 8.0174 8.2328 8.2328 8.4123 8.4123 8.4992 8.4992 8.6132 8.6132 8.7416 8.7416 8.9312 8.9312 9.3251 9.3251 9.5101 9.5101 9.7159 9.7159 9.7843 9.7843 9.9539 9.9539 10.6859 10.6859 10.7152 10.7152 11.2594 11.2594 11.7249 11.7249 11.8380 11.8380 11.8621 11.8621 12.4777 12.4777 12.5286 12.5286 k = 0.2128 0.1228-0.0000 ( 6870 PWs) bands (ev): -1.9846 -1.9846 -1.7354 -1.7354 -0.9249 -0.9249 -0.5698 -0.5698 5.1317 5.1317 5.2543 5.2543 5.5634 5.5634 5.9433 5.9433 6.1854 6.1854 6.3432 6.3432 6.4917 6.4917 7.0741 7.0741 7.7950 7.7950 7.8352 7.8352 7.9914 7.9914 8.2220 8.2220 8.4054 8.4054 8.4806 8.4806 8.5969 8.5969 8.7575 8.7575 8.9135 8.9135 9.2726 9.2726 9.4817 9.4817 9.7032 9.7032 9.7437 9.7437 9.9391 9.9391 10.6349 10.6349 10.6683 10.6683 11.2559 11.2559 11.7553 11.7553 11.8445 11.8445 11.8917 11.8917 12.4948 12.4948 12.5528 12.5528 k = 0.2234 0.1290-0.0000 ( 6874 PWs) bands (ev): -1.9416 -1.9416 -1.7044 -1.7044 -0.8994 -0.8994 -0.5682 -0.5682 5.1818 5.1818 5.1975 5.1975 5.5213 5.5213 5.9012 5.9012 6.2101 6.2101 6.3654 6.3654 6.5209 6.5209 6.9951 6.9951 7.7855 7.7855 7.8065 7.8065 7.9623 7.9623 8.2101 8.2101 8.3867 8.3867 8.4697 8.4697 8.5815 8.5815 8.7770 8.7770 8.8992 8.8992 9.2238 9.2238 9.4523 9.4523 9.6791 9.6791 9.7172 9.7172 9.9236 9.9236 10.5834 10.5834 10.6202 10.6202 11.2579 11.2579 11.7858 11.7858 11.8525 11.8525 11.9261 11.9261 12.5038 12.5038 12.5773 12.5773 k = 0.2340 0.1351-0.0000 ( 6876 PWs) bands (ev): -1.8976 -1.8976 -1.6726 -1.6726 -0.8735 -0.8735 -0.5663 -0.5663 5.1359 5.1359 5.2349 5.2349 5.4760 5.4760 5.8629 5.8629 6.2355 6.2355 6.3886 6.3886 6.5500 6.5500 6.9200 6.9200 7.7382 7.7382 7.8120 7.8120 7.9318 7.9318 8.1971 8.1971 8.3572 8.3572 8.4667 8.4667 8.5676 8.5676 8.7981 8.7981 8.8875 8.8875 9.1791 9.1791 9.4224 9.4224 9.6413 9.6413 9.7066 9.7066 9.9075 9.9075 10.5327 10.5327 10.5714 10.5714 11.2645 11.2645 11.8163 11.8163 11.8644 11.8644 11.9634 11.9634 12.5063 12.5063 12.6017 12.6017 k = 0.2447 0.1413-0.0000 ( 6868 PWs) bands (ev): -1.8525 -1.8525 -1.6403 -1.6403 -0.8472 -0.8472 -0.5641 -0.5641 5.0754 5.0754 5.2834 5.2834 5.4278 5.4278 5.8295 5.8295 6.2614 6.2614 6.4126 6.4126 6.5787 6.5787 6.8498 6.8498 7.6898 7.6898 7.8131 7.8131 7.9027 7.9027 8.1829 8.1829 8.3217 8.3217 8.4676 8.4676 8.5556 8.5556 8.8174 8.8174 8.8794 8.8794 9.1385 9.1385 9.3925 9.3925 9.6001 9.6001 9.7013 9.7013 9.8909 9.8909 10.4834 10.4834 10.5228 10.5228 11.2749 11.2749 11.8463 11.8463 11.8807 11.8807 12.0034 12.0034 12.5043 12.5043 12.6249 12.6249 k = 0.2553 0.1474-0.0000 ( 6888 PWs) bands (ev): -1.8067 -1.8067 -1.6075 -1.6075 -0.8208 -0.8208 -0.5615 -0.5615 5.0139 5.0139 5.3245 5.3245 5.3802 5.3802 5.8026 5.8026 6.2876 6.2876 6.4374 6.4374 6.6064 6.6064 6.7853 6.7853 7.6415 7.6415 7.8042 7.8042 7.8805 7.8805 8.1676 8.1676 8.2836 8.2836 8.4701 8.4701 8.5458 8.5458 8.8262 8.8262 8.8809 8.8809 9.1024 9.1024 9.3627 9.3627 9.5583 9.5583 9.6979 9.6979 9.8739 9.8739 10.4355 10.4355 10.4756 10.4756 11.2883 11.2883 11.8757 11.8757 11.9017 11.9017 12.0457 12.0457 12.5000 12.5000 12.6462 12.6462 k = 0.2660 0.1536-0.0000 ( 6872 PWs) bands (ev): -1.7603 -1.7603 -1.5743 -1.5743 -0.7942 -0.7942 -0.5586 -0.5586 4.9516 4.9516 5.3106 5.3106 5.3788 5.3788 5.7845 5.7845 6.3142 6.3142 6.4629 6.4629 6.6316 6.6316 6.7282 6.7282 7.5938 7.5938 7.7812 7.7812 7.8692 7.8692 8.1512 8.1512 8.2448 8.2448 8.4730 8.4730 8.5386 8.5386 8.8179 8.8179 8.8969 8.8969 9.0710 9.0710 9.3331 9.3331 9.5168 9.5168 9.6956 9.6956 9.8570 9.8570 10.3893 10.3893 10.4306 10.4306 11.3042 11.3042 11.9047 11.9047 11.9270 11.9270 12.0901 12.0901 12.4947 12.4947 12.6649 12.6649 k = 0.2766 0.1597-0.0000 ( 6868 PWs) bands (ev): -1.7135 -1.7135 -1.5408 -1.5408 -0.7677 -0.7677 -0.5552 -0.5552 4.8884 4.8884 5.2555 5.2555 5.4067 5.4067 5.7782 5.7782 6.3408 6.3408 6.4890 6.4890 6.6419 6.6419 6.6910 6.6910 7.5470 7.5470 7.7487 7.7487 7.8651 7.8651 8.1336 8.1336 8.2065 8.2065 8.4761 8.4761 8.5338 8.5338 8.7986 8.7986 8.9197 8.9197 9.0444 9.0444 9.3035 9.3035 9.4762 9.4762 9.6942 9.6942 9.8403 9.8403 10.3446 10.3446 10.3885 10.3885 11.3221 11.3221 11.9342 11.9342 11.9555 11.9555 12.1365 12.1365 12.4898 12.4898 12.6803 12.6803 k = 0.2872 0.1658-0.0000 ( 6860 PWs) bands (ev): -1.6666 -1.6666 -1.5074 -1.5074 -0.7414 -0.7414 -0.5514 -0.5514 4.8245 4.8245 5.1957 5.1957 5.4255 5.4255 5.7861 5.7861 6.3673 6.3673 6.5157 6.5157 6.6107 6.6107 6.7001 6.7001 7.5015 7.5015 7.7117 7.7117 7.8630 7.8630 8.1148 8.1148 8.1693 8.1693 8.4793 8.4793 8.5313 8.5313 8.7729 8.7729 8.9443 8.9443 9.0223 9.0223 9.2736 9.2736 9.4371 9.4371 9.6934 9.6934 9.8244 9.8244 10.3016 10.3016 10.3496 10.3496 11.3416 11.3416 11.9649 11.9649 11.9863 11.9863 12.1845 12.1845 12.4863 12.4863 12.6924 12.6924 k = 0.2979 0.1720-0.0000 ( 6866 PWs) bands (ev): -1.6198 -1.6198 -1.4740 -1.4740 -0.7154 -0.7154 -0.5470 -0.5470 4.7600 4.7600 5.1339 5.1339 5.4325 5.4325 5.8083 5.8083 6.3936 6.3936 6.5428 6.5428 6.5709 6.5709 6.7225 6.7225 7.4577 7.4577 7.6730 7.6730 7.8607 7.8607 8.0944 8.0944 8.1343 8.1343 8.4827 8.4827 8.5307 8.5307 8.7425 8.7425 8.9686 8.9686 9.0039 9.0039 9.2430 9.2430 9.4002 9.4002 9.6930 9.6930 9.8096 9.8096 10.2602 10.2602 10.3140 10.3140 11.3624 11.3624 11.9968 11.9968 12.0190 12.0190 12.2338 12.2338 12.4847 12.4847 12.7015 12.7015 k = 0.3085 0.1781-0.0000 ( 6862 PWs) bands (ev): -1.5734 -1.5734 -1.4408 -1.4408 -0.6897 -0.6897 -0.5421 -0.5421 4.6949 4.6949 5.0712 5.0712 5.4295 5.4295 5.8425 5.8425 6.4191 6.4191 6.5344 6.5344 6.5707 6.5707 6.7459 6.7459 7.4157 7.4157 7.6338 7.6338 7.8575 7.8575 8.0717 8.0717 8.1024 8.1024 8.4867 8.4867 8.5315 8.5315 8.7088 8.7088 8.9855 8.9855 8.9948 8.9948 9.2112 9.2112 9.3663 9.3663 9.6931 9.6931 9.7964 9.7964 10.2208 10.2208 10.2817 10.2817 11.3842 11.3842 12.0291 12.0291 12.0540 12.0540 12.2841 12.2841 12.4859 12.4859 12.7082 12.7082 k = 0.3191 0.1843-0.0000 ( 6854 PWs) bands (ev): -1.5276 -1.5276 -1.4081 -1.4081 -0.6646 -0.6646 -0.5366 -0.5366 4.6294 4.6294 5.0084 5.0084 5.4200 5.4200 5.8848 5.8848 6.4426 6.4426 6.5043 6.5043 6.5986 6.5986 6.7685 6.7685 7.3757 7.3757 7.5946 7.5946 7.8532 7.8532 8.0459 8.0459 8.0749 8.0749 8.4913 8.4913 8.5332 8.5332 8.6731 8.6731 8.9727 8.9727 9.0157 9.0157 9.1779 9.1779 9.3361 9.3361 9.6935 9.6935 9.7851 9.7851 10.1833 10.1833 10.2524 10.2524 11.4069 11.4069 12.0613 12.0613 12.0916 12.0916 12.3348 12.3348 12.4901 12.4901 12.7137 12.7137 k = 0.3298 0.1904-0.0000 ( 6852 PWs) bands (ev): -1.4827 -1.4827 -1.3760 -1.3760 -0.6401 -0.6401 -0.5305 -0.5305 4.5638 4.5638 4.9464 4.9464 5.4066 5.4066 5.9318 5.9318 6.4546 6.4546 6.4895 6.4895 6.6267 6.6267 6.7900 6.7900 7.3381 7.3381 7.5559 7.5559 7.8478 7.8478 8.0175 8.0175 8.0511 8.0511 8.4965 8.4965 8.5355 8.5355 8.6366 8.6366 8.9591 8.9591 9.0362 9.0362 9.1434 9.1434 9.3097 9.3097 9.6941 9.6941 9.7762 9.7762 10.1480 10.1480 10.2259 10.2259 11.4302 11.4302 12.0928 12.0928 12.1316 12.1316 12.3855 12.3855 12.4979 12.4979 12.7191 12.7191 k = 0.3404 0.1965-0.0000 ( 6846 PWs) bands (ev): -1.4391 -1.4391 -1.3446 -1.3446 -0.6164 -0.6164 -0.5237 -0.5237 4.4982 4.4982 4.8859 4.8859 5.3916 5.3916 5.9810 5.9810 6.4408 6.4408 6.5040 6.5040 6.6548 6.6548 6.8103 6.8103 7.3030 7.3030 7.5182 7.5182 7.8414 7.8414 7.9883 7.9883 8.0294 8.0294 8.5019 8.5019 8.5375 8.5375 8.6010 8.6010 8.9455 8.9455 9.0533 9.0533 9.1098 9.1098 9.2870 9.2870 9.6949 9.6949 9.7699 9.7699 10.1150 10.1150 10.2018 10.2018 11.4540 11.4540 12.1235 12.1235 12.1737 12.1737 12.4347 12.4347 12.5102 12.5102 12.7253 12.7253 k = 0.3511 0.2027-0.0000 ( 6852 PWs) bands (ev): -1.3970 -1.3970 -1.3141 -1.3141 -0.5936 -0.5936 -0.5161 -0.5161 4.4330 4.4330 4.8275 4.8275 5.3760 5.3760 6.0307 6.0307 6.4224 6.4224 6.5261 6.5261 6.6829 6.6829 6.8292 6.8292 7.2704 7.2704 7.4818 7.4818 7.8343 7.8343 7.9593 7.9593 8.0088 8.0088 8.5064 8.5064 8.5372 8.5372 8.5702 8.5702 8.9314 8.9314 9.0547 9.0547 9.0898 9.0898 9.2677 9.2677 9.6957 9.6957 9.7662 9.7662 10.0841 10.0841 10.1800 10.1800 11.4781 11.4781 12.1535 12.1535 12.2173 12.2173 12.4794 12.4794 12.5299 12.5299 12.7330 12.7330 k = 0.3617 0.2088-0.0000 ( 6858 PWs) bands (ev): -1.3567 -1.3567 -1.2848 -1.2848 -0.5718 -0.5718 -0.5080 -0.5080 4.3686 4.3686 4.7718 4.7718 5.3608 5.3608 6.0795 6.0795 6.4059 6.4059 6.5487 6.5487 6.7106 6.7106 6.8468 6.8468 7.2406 7.2406 7.4471 7.4471 7.8267 7.8267 7.9308 7.9308 7.9891 7.9891 8.5031 8.5031 8.5297 8.5297 8.5564 8.5564 8.9162 8.9162 9.0269 9.0269 9.0980 9.0980 9.2512 9.2512 9.6967 9.6967 9.7652 9.7652 10.0554 10.0554 10.1601 10.1601 11.5023 11.5023 12.1827 12.1827 12.2619 12.2619 12.5134 12.5134 12.5623 12.5623 12.7428 12.7428 k = 0.3723 0.2150-0.0000 ( 6850 PWs) bands (ev): -1.3186 -1.3186 -1.2567 -1.2567 -0.5511 -0.5511 -0.4991 -0.4991 4.3056 4.3056 4.7192 4.7192 5.3464 5.3464 6.1265 6.1265 6.3920 6.3920 6.5707 6.5707 6.7379 6.7379 6.8632 6.8632 7.2136 7.2136 7.4144 7.4144 7.8187 7.8187 7.9027 7.9027 7.9700 7.9700 8.4809 8.4809 8.5289 8.5289 8.5569 8.5569 8.8994 8.8994 8.9946 8.9946 9.1109 9.1109 9.2372 9.2372 9.6979 9.6979 9.7667 9.7667 10.0288 10.0288 10.1419 10.1419 11.5265 11.5265 12.2109 12.2109 12.3070 12.3070 12.5386 12.5386 12.6050 12.6050 12.7550 12.7550 k = 0.3830 0.2211-0.0000 ( 6846 PWs) bands (ev): -1.2830 -1.2830 -1.2300 -1.2300 -0.5317 -0.5317 -0.4897 -0.4897 4.2445 4.2445 4.6700 4.6700 5.3330 5.3330 6.1707 6.1707 6.3805 6.3805 6.5917 6.5917 6.7644 6.7644 6.8784 6.8784 7.1894 7.1894 7.3839 7.3839 7.8105 7.8105 7.8752 7.8752 7.9518 7.9518 8.4529 8.4529 8.5330 8.5330 8.5609 8.5609 8.8802 8.8802 8.9647 8.9647 9.1231 9.1231 9.2251 9.2251 9.6998 9.6998 9.7702 9.7702 10.0042 10.0042 10.1254 10.1254 11.5505 11.5505 12.2381 12.2381 12.3522 12.3522 12.5616 12.5616 12.6505 12.6505 12.7698 12.7698 k = 0.3936 0.2273-0.0000 ( 6854 PWs) bands (ev): -1.2500 -1.2500 -1.2049 -1.2049 -0.5135 -0.5135 -0.4799 -0.4799 4.1859 4.1859 4.6244 4.6244 5.3209 5.3209 6.2117 6.2117 6.3712 6.3712 6.6115 6.6115 6.7900 6.7900 6.8925 6.8925 7.1679 7.1679 7.3562 7.3562 7.8023 7.8023 7.8482 7.8482 7.9344 7.9344 8.4262 8.4262 8.5374 8.5374 8.5662 8.5662 8.8579 8.8579 8.9391 8.9391 9.1339 9.1339 9.2148 9.2148 9.7024 9.7024 9.7753 9.7753 9.9813 9.9813 10.1102 10.1102 11.5740 11.5740 12.2640 12.2640 12.3968 12.3968 12.5850 12.5850 12.6953 12.6953 12.7870 12.7870 k = 0.4043 0.2334-0.0000 ( 6856 PWs) bands (ev): -1.2201 -1.2201 -1.1815 -1.1815 -0.4968 -0.4968 -0.4698 -0.4698 4.1306 4.1306 4.5828 4.5828 5.3100 5.3100 6.2489 6.2489 6.3638 6.3638 6.6299 6.6299 6.8145 6.8145 6.9055 6.9055 7.1490 7.1490 7.3314 7.3314 7.7938 7.7938 7.8222 7.8222 7.9181 7.9181 8.4021 8.4021 8.5411 8.5411 8.5722 8.5722 8.8332 8.8332 8.9182 8.9182 9.1431 9.1431 9.2060 9.2060 9.7060 9.7060 9.7817 9.7817 9.9600 9.9600 10.0964 10.0964 11.5968 11.5968 12.2884 12.2884 12.4406 12.4406 12.6090 12.6090 12.7381 12.7381 12.8066 12.8066 k = 0.4149 0.2395-0.0000 ( 6860 PWs) bands (ev): -1.1934 -1.1934 -1.1598 -1.1598 -0.4816 -0.4816 -0.4595 -0.4595 4.0790 4.0790 4.5451 4.5451 5.3005 5.3005 6.2820 6.2820 6.3580 6.3580 6.6469 6.6469 6.8374 6.8374 6.9176 6.9176 7.1325 7.1325 7.3098 7.3098 7.7833 7.7833 7.7993 7.7993 7.9031 7.9031 8.3812 8.3812 8.5441 8.5441 8.5785 8.5785 8.8072 8.8072 8.9013 8.9013 9.1508 9.1508 9.1985 9.1985 9.7108 9.7108 9.7889 9.7889 9.9399 9.9399 10.0838 10.0838 11.6186 11.6186 12.3110 12.3110 12.4830 12.4830 12.6332 12.6332 12.7778 12.7778 12.8283 12.8283 k = 0.4255 0.2457-0.0000 ( 6862 PWs) bands (ev): -1.1700 -1.1700 -1.1400 -1.1400 -0.4680 -0.4680 -0.4495 -0.4495 4.0318 4.0318 4.5116 4.5116 5.2923 5.2923 6.3107 6.3107 6.3537 6.3537 6.6622 6.6622 6.8587 6.8587 6.9287 6.9287 7.1182 7.1182 7.2916 7.2916 7.7652 7.7652 7.7857 7.7857 7.8893 7.8893 8.3635 8.3635 8.5465 8.5465 8.5848 8.5848 8.7817 8.7817 8.8874 8.8874 9.1571 9.1571 9.1922 9.1922 9.7170 9.7170 9.7965 9.7965 9.9210 9.9210 10.0724 10.0724 11.6391 11.6391 12.3317 12.3317 12.5238 12.5238 12.6571 12.6571 12.8137 12.8137 12.8516 12.8516 k = 0.4362 0.2518-0.0000 ( 6860 PWs) bands (ev): -1.1501 -1.1501 -1.1223 -1.1223 -0.4560 -0.4560 -0.4399 -0.4399 3.9896 3.9896 4.4823 4.4823 5.2853 5.2853 6.3346 6.3346 6.3509 6.3509 6.6757 6.6757 6.8779 6.8779 6.9387 6.9387 7.1060 7.1060 7.2768 7.2768 7.7431 7.7431 7.7781 7.7781 7.8771 7.8771 8.3488 8.3488 8.5482 8.5482 8.5907 8.5907 8.7579 8.7579 8.8759 8.8759 9.1622 9.1622 9.1868 9.1868 9.7245 9.7245 9.8042 9.8042 9.9028 9.9028 10.0622 10.0622 11.6580 11.6580 12.3502 12.3502 12.5624 12.5624 12.6799 12.6799 12.8453 12.8453 12.8753 12.8753 k = 0.4468 0.2580-0.0000 ( 6860 PWs) bands (ev): -1.1335 -1.1335 -1.1067 -1.1067 -0.4458 -0.4458 -0.4311 -0.4311 3.9530 3.9530 4.4574 4.4574 5.2795 5.2795 6.3464 6.3464 6.3568 6.3568 6.6873 6.6873 6.8947 6.8947 6.9477 6.9477 7.0957 7.0957 7.2652 7.2652 7.7221 7.7221 7.7724 7.7724 7.8664 7.8664 8.3371 8.3371 8.5495 8.5495 8.5961 8.5961 8.7366 8.7366 8.8663 8.8663 9.1661 9.1661 9.1825 9.1825 9.7335 9.7335 9.8115 9.8115 9.8854 9.8854 10.0531 10.0531 11.6749 11.6749 12.3663 12.3663 12.5985 12.5985 12.7009 12.7009 12.8719 12.8719 12.8939 12.8939 k = 0.4574 0.2641-0.0000 ( 6856 PWs) bands (ev): -1.1203 -1.1203 -1.0936 -1.0936 -0.4373 -0.4373 -0.4234 -0.4234 3.9223 3.9223 4.4369 4.4369 5.2748 5.2748 6.3455 6.3455 6.3719 6.3719 6.6970 6.6970 6.9090 6.9090 6.9553 6.9553 7.0871 7.0871 7.2566 7.2566 7.7036 7.7036 7.7678 7.7678 7.8575 7.8575 8.3280 8.3280 8.5503 8.5503 8.6007 8.6007 8.7185 8.7185 8.8585 8.8585 9.1690 9.1690 9.1791 9.1791 9.7436 9.7436 9.8182 9.8182 9.8687 9.8687 10.0454 10.0454 11.6893 11.6893 12.3797 12.3797 12.6318 12.6318 12.7194 12.7194 12.8815 12.8815 12.8984 12.8984 k = 0.4681 0.2702-0.0000 ( 6860 PWs) bands (ev): -1.1101 -1.1101 -1.0832 -1.0832 -0.4307 -0.4307 -0.4170 -0.4170 3.8980 3.8980 4.4209 4.4209 5.2713 5.2713 6.3445 6.3445 6.3838 6.3838 6.7046 6.7046 6.9205 6.9205 6.9616 6.9616 7.0803 7.0803 7.2505 7.2505 7.6882 7.6882 7.7642 7.7642 7.8505 7.8505 8.3213 8.3213 8.5507 8.5507 8.6044 8.6044 8.7041 8.7041 8.8524 8.8524 9.1710 9.1710 9.1766 9.1766 9.7549 9.7549 9.8236 9.8236 9.8527 9.8527 10.0392 10.0392 11.7010 11.7010 12.3904 12.3904 12.6614 12.6614 12.7348 12.7348 12.8624 12.8624 12.9152 12.9152 k = 0.4787 0.2764-0.0000 ( 6850 PWs) bands (ev): -1.1029 -1.1029 -1.0756 -1.0756 -0.4260 -0.4260 -0.4123 -0.4123 3.8804 3.8804 4.4094 4.4094 5.2688 5.2688 6.3438 6.3438 6.3922 6.3922 6.7101 6.7101 6.9289 6.9289 6.9662 6.9662 7.0754 7.0754 7.2466 7.2466 7.6768 7.6768 7.7616 7.7616 7.8454 7.8454 8.3167 8.3167 8.5510 8.5510 8.6072 8.6072 8.6936 8.6936 8.8480 8.8480 9.1720 9.1720 9.1752 9.1752 9.7667 9.7667 9.8267 9.8267 9.8388 9.8388 10.0346 10.0346 11.7096 11.7096 12.3981 12.3981 12.6863 12.6863 12.7468 12.7468 12.8428 12.8428 12.9285 12.9285 k = 0.4894 0.2825-0.0000 ( 6834 PWs) bands (ev): -1.0987 -1.0987 -1.0711 -1.0711 -0.4231 -0.4231 -0.4093 -0.4093 3.8698 3.8698 4.4025 4.4025 5.2673 5.2673 6.3434 6.3434 6.3972 6.3972 6.7134 6.7134 6.9340 6.9340 6.9690 6.9690 7.0725 7.0725 7.2444 7.2444 7.6697 7.6697 7.7601 7.7601 7.8423 7.8423 8.3140 8.3140 8.5511 8.5511 8.6089 8.6089 8.6873 8.6873 8.8455 8.8455 9.1720 9.1720 9.1748 9.1748 9.7778 9.7778 9.8216 9.8216 9.8336 9.8336 10.0317 10.0317 11.7149 11.7149 12.4028 12.4028 12.7039 12.7039 12.7551 12.7551 12.8272 12.8272 12.9368 12.9368 k = 0.5000 0.2887-0.0000 ( 6838 PWs) bands (ev): -1.0973 -1.0973 -1.0695 -1.0695 -0.4222 -0.4222 -0.4084 -0.4084 3.8662 3.8662 4.4002 4.4002 5.2668 5.2668 6.3433 6.3433 6.3988 6.3988 6.7145 6.7145 6.9357 6.9357 6.9699 6.9699 7.0715 7.0715 7.2437 7.2437 7.6673 7.6673 7.7596 7.7596 7.8413 7.8413 8.3131 8.3131 8.5512 8.5512 8.6095 8.6095 8.6851 8.6851 8.8446 8.8446 9.1719 9.1719 9.1749 9.1749 9.7833 9.7833 9.8161 9.8161 9.8338 9.8338 10.0308 10.0308 11.7166 11.7166 12.4044 12.4044 12.7105 12.7105 12.7585 12.7585 12.8207 12.8207 12.9396 12.9396 k = 0.5000 0.2887-0.0000 ( 6838 PWs) bands (ev): -1.0973 -1.0973 -1.0695 -1.0695 -0.4222 -0.4222 -0.4084 -0.4084 3.8662 3.8662 4.4002 4.4002 5.2668 5.2668 6.3433 6.3433 6.3988 6.3988 6.7145 6.7145 6.9357 6.9357 6.9699 6.9699 7.0715 7.0715 7.2437 7.2437 7.6673 7.6673 7.7596 7.7596 7.8413 7.8413 8.3131 8.3131 8.5512 8.5512 8.6095 8.6095 8.6851 8.6851 8.8446 8.8446 9.1719 9.1719 9.1749 9.1749 9.7833 9.7833 9.8161 9.8161 9.8338 9.8338 10.0308 10.0308 11.7166 11.7166 12.4044 12.4044 12.7105 12.7105 12.7585 12.7585 12.8207 12.8207 12.9396 12.9396 k = 0.4938 0.2994-0.0000 ( 6846 PWs) bands (ev): -1.0968 -1.0968 -1.0691 -1.0691 -0.4219 -0.4219 -0.4082 -0.4082 3.8678 3.8678 4.4006 4.4006 5.2685 5.2685 6.3396 6.3396 6.3993 6.3993 6.7130 6.7130 6.9352 6.9352 6.9703 6.9703 7.0714 7.0714 7.2425 7.2425 7.6570 7.6570 7.7560 7.7560 7.8482 7.8482 8.3119 8.3119 8.5520 8.5520 8.6083 8.6083 8.6874 8.6874 8.8449 8.8449 9.1690 9.1690 9.1783 9.1783 9.7830 9.7830 9.8159 9.8159 9.8392 9.8392 10.0303 10.0303 11.7200 11.7200 12.3889 12.3889 12.7115 12.7115 12.7723 12.7723 12.8189 12.8189 12.9381 12.9381 k = 0.4877 0.3101-0.0000 ( 6834 PWs) bands (ev): -1.0952 -1.0952 -1.0679 -1.0679 -0.4210 -0.4210 -0.4078 -0.4078 3.8726 3.8726 4.4019 4.4019 5.2735 5.2735 6.3288 6.3288 6.4008 6.4008 6.7083 6.7083 6.9338 6.9338 6.9713 6.9713 7.0711 7.0711 7.2389 7.2389 7.6297 7.6297 7.7456 7.7456 7.8652 7.8652 8.3083 8.3083 8.5544 8.5544 8.6049 8.6049 8.6940 8.6940 8.8460 8.8460 9.1606 9.1606 9.1882 9.1882 9.7820 9.7820 9.8159 9.8159 9.8550 9.8550 10.0291 10.0291 11.7300 11.7300 12.3493 12.3493 12.7100 12.7100 12.8106 12.8106 12.8140 12.8140 12.9339 12.9339 k = 0.4815 0.3208-0.0000 ( 6834 PWs) bands (ev): -1.0926 -1.0926 -1.0659 -1.0659 -0.4196 -0.4196 -0.4071 -0.4071 3.8806 3.8806 4.4042 4.4042 5.2819 5.2819 6.3113 6.3113 6.4027 6.4027 6.7002 6.7002 6.9317 6.9317 6.9730 6.9730 7.0706 7.0706 7.2331 7.2331 7.5920 7.5920 7.7283 7.7283 7.8863 7.8863 8.3029 8.3029 8.5582 8.5582 8.5998 8.5998 8.7042 8.7042 8.8477 8.8477 9.1478 9.1478 9.2044 9.2044 9.7804 9.7804 9.8159 9.8159 9.8799 9.8799 10.0270 10.0270 11.7465 11.7465 12.2966 12.2966 12.7046 12.7046 12.8041 12.8041 12.8635 12.8635 12.9274 12.9274 k = 0.4753 0.3314-0.0000 ( 6836 PWs) bands (ev): -1.0891 -1.0891 -1.0632 -1.0632 -0.4177 -0.4177 -0.4062 -0.4062 3.8918 3.8918 4.4073 4.4073 5.2937 5.2937 6.2874 6.2874 6.4050 6.4050 6.6883 6.6883 6.9290 6.9290 6.9753 6.9753 7.0696 7.0696 7.2253 7.2253 7.5482 7.5482 7.7046 7.7046 7.9080 7.9080 8.2961 8.2961 8.5629 8.5629 8.5939 8.5939 8.7170 8.7170 8.8500 8.8500 9.1321 9.1321 9.2262 9.2262 9.7783 9.7783 9.8160 9.8160 9.9125 9.9125 10.0241 10.0241 11.7689 11.7689 12.2380 12.2380 12.6962 12.6962 12.7910 12.7910 12.9102 12.9102 12.9194 12.9194 k = 0.4691 0.3421-0.0000 ( 6840 PWs) bands (ev): -1.0845 -1.0845 -1.0597 -1.0597 -0.4153 -0.4153 -0.4050 -0.4050 3.9061 3.9061 4.4113 4.4113 5.3087 5.3087 6.2574 6.2574 6.4075 6.4075 6.6721 6.6721 6.9262 6.9262 6.9781 6.9781 7.0679 7.0679 7.2160 7.2160 7.5009 7.5009 7.6749 7.6749 7.9288 7.9288 8.2885 8.2885 8.5672 8.5672 8.5885 8.5885 8.7316 8.7316 8.8529 8.8529 9.1146 9.1146 9.2529 9.2529 9.7757 9.7757 9.8162 9.8162 9.9514 9.9514 10.0204 10.0204 11.7967 11.7967 12.1771 12.1771 12.6855 12.6855 12.7739 12.7739 12.9103 12.9103 12.9261 12.9261 k = 0.4630 0.3528-0.0000 ( 6854 PWs) bands (ev): -1.0791 -1.0791 -1.0555 -1.0555 -0.4123 -0.4123 -0.4035 -0.4035 3.9235 3.9235 4.4163 4.4163 5.3269 5.3269 6.2218 6.2218 6.4103 6.4103 6.6509 6.6509 6.9234 6.9234 6.9813 6.9813 7.0653 7.0653 7.2056 7.2056 7.4521 7.4521 7.6395 7.6395 7.9479 7.9479 8.2806 8.2806 8.5676 8.5676 8.5876 8.5876 8.7470 8.7470 8.8562 8.8562 9.0968 9.0968 9.2838 9.2838 9.7728 9.7728 9.8163 9.8163 9.9953 9.9953 10.0158 10.0158 11.8292 11.8292 12.1160 12.1160 12.6727 12.6727 12.7525 12.7525 12.9012 12.9012 12.9239 12.9239 k = 0.4568 0.3635-0.0000 ( 6876 PWs) bands (ev): -1.0728 -1.0728 -1.0506 -1.0506 -0.4089 -0.4089 -0.4017 -0.4017 3.9440 3.9440 4.4222 4.4222 5.3484 5.3484 6.1807 6.1807 6.4134 6.4134 6.6238 6.6238 6.9208 6.9208 6.9847 6.9847 7.0613 7.0613 7.1947 7.1947 7.4037 7.4037 7.5991 7.5991 7.9652 7.9652 8.2728 8.2728 8.5626 8.5626 8.5925 8.5925 8.7625 8.7625 8.8598 8.8598 9.0793 9.0793 9.3181 9.3181 9.7697 9.7697 9.8163 9.8163 10.0104 10.0104 10.0432 10.0432 11.8652 11.8652 12.0557 12.0557 12.6579 12.6579 12.7270 12.7270 12.8926 12.8926 12.9192 12.9192 k = 0.4506 0.3742-0.0000 ( 6868 PWs) bands (ev): -1.0658 -1.0658 -1.0450 -1.0450 -0.4051 -0.4051 -0.3997 -0.3997 3.9674 3.9674 4.4291 4.4291 5.3729 5.3729 6.1349 6.1349 6.4169 6.4169 6.5901 6.5901 6.9188 6.9188 6.9883 6.9883 7.0554 7.0554 7.1840 7.1840 7.3572 7.3572 7.5541 7.5541 7.9807 7.9807 8.2654 8.2654 8.5557 8.5557 8.6000 8.6000 8.7775 8.7775 8.8637 8.8637 9.0631 9.0631 9.3550 9.3550 9.7667 9.7667 9.8164 9.8164 10.0042 10.0042 10.0942 10.0942 11.9033 11.9033 11.9972 11.9972 12.6402 12.6402 12.6981 12.6981 12.8843 12.8843 12.9169 12.9170 k = 0.4444 0.3849-0.0000 ( 6872 PWs) bands (ev): -1.0580 -1.0580 -1.0389 -1.0389 -0.4009 -0.4009 -0.3974 -0.3974 3.9937 3.9937 4.4371 4.4371 5.4005 5.4005 6.0847 6.0847 6.4207 6.4207 6.5491 6.5491 6.9172 6.9172 6.9916 6.9916 7.0476 7.0476 7.1739 7.1739 7.3145 7.3145 7.5052 7.5052 7.9945 7.9945 8.2586 8.2586 8.5486 8.5486 8.6082 8.6082 8.7914 8.7914 8.8678 8.8678 9.0485 9.0485 9.3939 9.3939 9.7638 9.7638 9.8165 9.8165 9.9973 9.9973 10.1478 10.1478 11.9307 11.9307 11.9522 11.9522 12.6171 12.6171 12.6687 12.6687 12.8753 12.8753 12.9203 12.9203 k = 0.4383 0.3956-0.0000 ( 6864 PWs) bands (ev): -1.0497 -1.0497 -1.0323 -1.0323 -0.3965 -0.3965 -0.3947 -0.3947 4.0228 4.0228 4.4460 4.4460 5.4311 5.4311 6.0309 6.0309 6.4248 6.4248 6.5003 6.5003 6.9163 6.9163 6.9937 6.9937 7.0382 7.0382 7.1645 7.1645 7.2771 7.2771 7.4527 7.4527 8.0068 8.0068 8.2525 8.2525 8.5419 8.5419 8.6165 8.6165 8.8038 8.8038 8.8719 8.8719 9.0357 9.0357 9.4340 9.4340 9.7613 9.7613 9.8167 9.8167 9.9898 9.9898 10.2036 10.2036 11.8827 11.8827 11.9846 11.9846 12.5849 12.5849 12.6433 12.6433 12.8643 12.8643 12.9315 12.9315 k = 0.4321 0.4063-0.0000 ( 6864 PWs) bands (ev): -1.0408 -1.0408 -1.0252 -1.0252 -0.3926 -0.3926 -0.3910 -0.3910 4.0545 4.0545 4.4561 4.4561 5.4645 5.4645 5.9742 5.9742 6.4290 6.4290 6.4442 6.4442 6.9160 6.9160 6.9923 6.9923 7.0296 7.0296 7.1549 7.1549 7.2467 7.2467 7.3974 7.3974 8.0175 8.0175 8.2472 8.2472 8.5361 8.5361 8.6245 8.6245 8.8145 8.8145 8.8758 8.8758 9.0249 9.0249 9.4746 9.4746 9.7596 9.7596 9.8171 9.8171 9.9818 9.9818 10.2613 10.2613 11.8306 11.8306 12.0217 12.0217 12.5427 12.5427 12.6232 12.6232 12.8503 12.8503 12.9518 12.9518 k = 0.4259 0.4170-0.0000 ( 6860 PWs) bands (ev): -1.0316 -1.0316 -1.0177 -1.0177 -0.3894 -0.3894 -0.3861 -0.3861 4.0888 4.0888 4.4671 4.4671 5.5007 5.5007 5.9153 5.9153 6.3798 6.3798 6.4346 6.4346 6.9164 6.9164 6.9837 6.9837 7.0255 7.0255 7.1440 7.1440 7.2244 7.2244 7.3397 7.3397 8.0270 8.0270 8.2427 8.2427 8.5313 8.5313 8.6317 8.6317 8.8235 8.8235 8.8793 8.8793 9.0160 9.0160 9.5147 9.5147 9.7589 9.7589 9.8176 9.8176 9.9733 9.9733 10.3207 10.3207 11.7809 11.7809 12.0560 12.0560 12.4936 12.4936 12.6064 12.6064 12.8326 12.8326 12.9805 12.9805 k = 0.4198 0.4277-0.0000 ( 6864 PWs) bands (ev): -1.0221 -1.0221 -1.0099 -1.0099 -0.3861 -0.3861 -0.3809 -0.3809 4.1254 4.1254 4.4793 4.4793 5.5395 5.5395 5.8548 5.8548 6.3098 6.3098 6.4399 6.4399 6.9174 6.9174 6.9681 6.9681 7.0260 7.0260 7.1310 7.1310 7.2104 7.2104 7.2808 7.2808 8.0353 8.0353 8.2389 8.2389 8.5276 8.5276 8.6381 8.6381 8.8307 8.8307 8.8821 8.8821 9.0089 9.0089 9.5532 9.5532 9.7599 9.7599 9.8186 9.8186 9.9645 9.9645 10.3818 10.3818 11.7340 11.7340 12.0864 12.0864 12.4397 12.4397 12.5914 12.5914 12.8110 12.8110 13.0073 13.0073 k = 0.4136 0.4384-0.0000 ( 6856 PWs) bands (ev): -1.0124 -1.0124 -1.0018 -1.0018 -0.3826 -0.3826 -0.3755 -0.3755 4.1641 4.1641 4.4924 4.4924 5.5809 5.5809 5.7934 5.7934 6.2345 6.2345 6.4456 6.4456 6.9188 6.9188 6.9483 6.9483 7.0282 7.0282 7.1165 7.1165 7.2008 7.2008 7.2238 7.2238 8.0425 8.0425 8.2360 8.2360 8.5252 8.5252 8.6434 8.6434 8.8363 8.8363 8.8841 8.8841 9.0034 9.0034 9.5887 9.5887 9.7633 9.7633 9.8202 9.8202 9.9556 9.9556 10.4444 10.4444 11.6901 11.6901 12.1118 12.1118 12.3831 12.3831 12.5776 12.5776 12.7856 12.7856 13.0012 13.0012 k = 0.4074 0.4491-0.0000 ( 6860 PWs) bands (ev): -1.0028 -1.0028 -0.9936 -0.9936 -0.3790 -0.3790 -0.3700 -0.3700 4.2047 4.2047 4.5066 4.5066 5.6245 5.6245 5.7320 5.7320 6.1552 6.1552 6.4516 6.4516 6.9192 6.9192 6.9278 6.9278 7.0294 7.0294 7.1016 7.1016 7.1596 7.1596 7.2048 7.2048 8.0487 8.0487 8.2337 8.2337 8.5241 8.5241 8.6475 8.6475 8.8405 8.8405 8.8851 8.8851 8.9992 8.9992 9.6192 9.6192 9.7701 9.7701 9.8230 9.8230 9.9467 9.9467 10.5085 10.5085 11.6495 11.6495 12.1307 12.1307 12.3263 12.3263 12.5650 12.5650 12.7572 12.7572 12.9765 12.9765 k = 0.4012 0.4597-0.0000 ( 6866 PWs) bands (ev): -0.9932 -0.9932 -0.9854 -0.9854 -0.3752 -0.3752 -0.3646 -0.3646 4.2468 4.2468 4.5218 4.5218 5.6666 5.6666 5.6750 5.6750 6.0733 6.0733 6.4580 6.4580 6.9005 6.9005 6.9252 6.9252 7.0238 7.0238 7.0847 7.0847 7.1121 7.1121 7.2047 7.2047 8.0539 8.0539 8.2322 8.2322 8.5243 8.5243 8.6503 8.6503 8.8436 8.8436 8.8852 8.8852 8.9959 8.9959 9.6432 9.6432 9.7801 9.7801 9.8284 9.8284 9.9380 9.9380 10.5743 10.5743 11.6121 11.6121 12.1379 12.1379 12.2759 12.2759 12.5536 12.5536 12.7267 12.7267 12.9396 12.9396 k = 0.3951 0.4704-0.0000 ( 6860 PWs) bands (ev): -0.9840 -0.9840 -0.9771 -0.9771 -0.3713 -0.3713 -0.3592 -0.3592 4.2900 4.2900 4.5378 4.5378 5.6115 5.6115 5.7187 5.7187 5.9901 5.9901 6.4644 6.4644 6.8751 6.8751 6.9282 6.9282 6.9961 6.9961 7.0673 7.0673 7.0888 7.0888 7.2071 7.2071 8.0584 8.0584 8.2313 8.2313 8.5257 8.5257 8.6518 8.6518 8.8457 8.8457 8.8843 8.8843 8.9933 8.9933 9.6600 9.6600 9.7909 9.7909 9.8389 9.8389 9.9296 9.9296 10.6415 10.6415 11.5783 11.5783 12.1193 12.1193 12.2471 12.2471 12.5433 12.5433 12.6954 12.6954 12.9012 12.9012 k = 0.3889 0.4811-0.0000 ( 6864 PWs) bands (ev): -0.9751 -0.9751 -0.9691 -0.9691 -0.3673 -0.3673 -0.3540 -0.3540 4.3339 4.3339 4.5546 4.5546 5.5544 5.5544 5.7683 5.7683 5.9068 5.9068 6.4705 6.4705 6.8473 6.8473 6.9310 6.9310 6.9484 6.9484 7.0599 7.0599 7.0797 7.0797 7.2108 7.2108 8.0620 8.0620 8.2310 8.2310 8.5283 8.5283 8.6519 8.6519 8.8470 8.8470 8.8827 8.8827 8.9910 8.9910 9.6709 9.6709 9.7986 9.7986 9.8567 9.8567 9.9216 9.9216 10.7102 10.7102 11.5479 11.5479 12.0702 12.0702 12.2460 12.2460 12.5342 12.5342 12.6647 12.6647 12.8627 12.8627 k = 0.3827 0.4918-0.0000 ( 6860 PWs) bands (ev): -0.9668 -0.9668 -0.9612 -0.9612 -0.3634 -0.3634 -0.3490 -0.3490 4.3777 4.3777 4.5720 4.5720 5.5005 5.5005 5.8158 5.8158 5.8285 5.8285 6.4760 6.4760 6.8157 6.8157 6.8951 6.8951 6.9375 6.9375 7.0540 7.0540 7.0773 7.0773 7.2152 7.2152 8.0648 8.0648 8.2313 8.2313 8.5319 8.5319 8.6507 8.6507 8.8476 8.8476 8.8806 8.8806 8.9888 8.9888 9.6778 9.6778 9.8029 9.8029 9.8796 9.8796 9.9141 9.9141 10.7804 10.7804 11.5212 11.5212 12.0059 12.0059 12.2586 12.2586 12.5265 12.5265 12.6358 12.6358 12.8245 12.8245 k = 0.3765 0.5025-0.0000 ( 6868 PWs) bands (ev): -0.9591 -0.9591 -0.9538 -0.9538 -0.3594 -0.3594 -0.3442 -0.3442 4.4206 4.4206 4.5898 4.5898 5.4509 5.4509 5.7435 5.7435 5.8735 5.8735 6.4796 6.4796 6.7779 6.7779 6.8510 6.8510 6.9421 6.9421 7.0471 7.0471 7.0789 7.0789 7.2199 7.2199 8.0670 8.0670 8.2319 8.2319 8.5365 8.5365 8.6483 8.6483 8.8476 8.8476 8.8781 8.8781 8.9866 8.9866 9.6824 9.6824 9.8052 9.8052 9.9040 9.9040 9.9076 9.9076 10.8519 10.8519 11.4982 11.4982 11.9355 11.9355 12.2768 12.2768 12.5202 12.5202 12.6100 12.6100 12.7873 12.7873 k = 0.3704 0.5132-0.0000 ( 6870 PWs) bands (ev): -0.9522 -0.9522 -0.9469 -0.9469 -0.3557 -0.3557 -0.3399 -0.3399 4.4615 4.4615 4.6077 4.6077 5.4067 5.4067 5.6667 5.6667 5.9278 5.9278 6.4794 6.4794 6.7353 6.7353 6.8161 6.8161 6.9475 6.9475 7.0398 7.0398 7.0818 7.0818 7.2247 7.2247 8.0686 8.0686 8.2328 8.2328 8.5418 8.5418 8.6448 8.6448 8.8472 8.8472 8.8754 8.8754 8.9843 8.9843 9.6857 9.6857 9.8063 9.8063 9.9011 9.9011 9.9282 9.9282 10.9247 10.9247 11.4788 11.4788 11.8620 11.8620 12.2985 12.2985 12.5154 12.5154 12.5883 12.5883 12.7513 12.7513 k = 0.3642 0.5239-0.0000 ( 6858 PWs) bands (ev): -0.9460 -0.9460 -0.9407 -0.9407 -0.3522 -0.3522 -0.3361 -0.3361 4.4990 4.4990 4.6252 4.6252 5.3696 5.3696 5.5943 5.5943 5.9832 5.9832 6.4717 6.4717 6.6950 6.6950 6.7880 6.7880 6.9533 6.9533 7.0326 7.0326 7.0851 7.0851 7.2293 7.2293 8.0697 8.0697 8.2338 8.2338 8.5476 8.5476 8.6405 8.6405 8.8465 8.8465 8.8728 8.8728 8.9821 8.9821 9.6884 9.6884 9.8069 9.8069 9.8956 9.8956 9.9496 9.9496 10.9984 10.9984 11.4629 11.4629 11.7869 11.7869 12.3229 12.3229 12.5123 12.5123 12.5716 12.5716 12.7167 12.7168 k = 0.3580 0.5346-0.0000 ( 6854 PWs) bands (ev): -0.9408 -0.9408 -0.9354 -0.9354 -0.3490 -0.3490 -0.3327 -0.3327 4.5316 4.5316 4.6418 4.6418 5.3410 5.3410 5.5277 5.5277 6.0395 6.0395 6.4520 6.4520 6.6654 6.6654 6.7639 6.7639 6.9595 6.9595 7.0255 7.0255 7.0881 7.0881 7.2335 7.2335 8.0704 8.0704 8.2350 8.2350 8.5536 8.5536 8.6355 8.6355 8.8456 8.8456 8.8704 8.8704 8.9799 8.9799 9.6908 9.6908 9.8070 9.8070 9.8909 9.8909 9.9677 9.9677 11.0729 11.0729 11.4504 11.4504 11.7111 11.7111 12.3500 12.3500 12.5108 12.5108 12.5604 12.5604 12.6821 12.6821 k = 0.3519 0.5453-0.0000 ( 6850 PWs) bands (ev): -0.9365 -0.9365 -0.9311 -0.9311 -0.3463 -0.3463 -0.3300 -0.3300 4.5579 4.5579 4.6566 4.6566 5.3227 5.3227 5.4683 5.4683 6.0963 6.0963 6.4181 6.4181 6.6502 6.6502 6.7426 6.7426 6.9660 6.9660 7.0186 7.0186 7.0907 7.0907 7.2371 7.2371 8.0708 8.0708 8.2360 8.2360 8.5594 8.5594 8.6304 8.6304 8.8447 8.8447 8.8683 8.8683 8.9779 8.9779 9.6930 9.6930 9.8070 9.8070 9.8870 9.8870 9.9819 9.9819 11.1474 11.1474 11.4411 11.4411 11.6357 11.6357 12.3796 12.3796 12.5113 12.5113 12.5548 12.5548 12.6410 12.6410 k = 0.3457 0.5560-0.0000 ( 6840 PWs) bands (ev): -0.9333 -0.9333 -0.9279 -0.9279 -0.3442 -0.3442 -0.3280 -0.3280 4.5767 4.5767 4.6684 4.6684 5.3159 5.3159 5.4176 5.4176 6.1533 6.1533 6.3728 6.3728 6.6469 6.6469 6.7243 6.7243 6.9725 6.9725 7.0119 7.0119 7.0926 7.0926 7.2398 7.2398 8.0709 8.0709 8.2368 8.2368 8.5645 8.5645 8.6257 8.6257 8.8438 8.8438 8.8667 8.8667 8.9763 8.9763 9.6950 9.6950 9.8069 9.8069 9.8841 9.8841 9.9919 9.9919 11.2205 11.2205 11.4342 11.4342 11.5625 11.5625 12.4114 12.4114 12.5136 12.5136 12.5533 12.5533 12.6003 12.6003 k = 0.3395 0.5667-0.0000 ( 6840 PWs) bands (ev): -0.9314 -0.9313 -0.9259 -0.9259 -0.3429 -0.3429 -0.3267 -0.3267 4.5876 4.5876 4.6762 4.6762 5.3206 5.3206 5.3780 5.3780 6.2101 6.2101 6.3210 6.3210 6.6499 6.6499 6.7102 6.7102 6.9783 6.9783 7.0062 7.0062 7.0938 7.0938 7.2416 7.2416 8.0709 8.0709 8.2373 8.2373 8.5682 8.5682 8.6222 8.6222 8.8432 8.8432 8.8657 8.8657 8.9752 8.9752 9.6964 9.6964 9.8067 9.8067 9.8823 9.8823 9.9977 9.9977 11.2878 11.2878 11.4275 11.4275 11.4980 11.4980 12.4441 12.4441 12.5156 12.5156 12.5440 12.5440 12.5762 12.5762 k = 0.3333 0.5774-0.0000 ( 6840 PWs) bands (ev): -0.9307 -0.9307 -0.9252 -0.9252 -0.3424 -0.3424 -0.3263 -0.3263 4.5910 4.5910 4.6788 4.6788 5.3289 5.3289 5.3580 5.3580 6.2653 6.2653 6.2672 6.2672 6.6524 6.6524 6.7044 6.7044 6.9811 6.9811 7.0035 7.0035 7.0941 7.0941 7.2422 7.2422 8.0709 8.0709 8.2375 8.2375 8.5695 8.5695 8.6209 8.6209 8.8429 8.8429 8.8654 8.8654 8.9748 8.9748 9.6970 9.6970 9.8067 9.8067 9.8816 9.8816 9.9995 9.9995 11.3247 11.3247 11.4192 11.4192 11.4684 11.4684 12.4666 12.4666 12.5082 12.5082 12.5322 12.5322 12.5789 12.5789 k = 0.3333 0.5774-0.0000 ( 6840 PWs) bands (ev): -0.9307 -0.9307 -0.9252 -0.9252 -0.3424 -0.3424 -0.3263 -0.3263 4.5910 4.5910 4.6788 4.6788 5.3289 5.3289 5.3580 5.3580 6.2653 6.2653 6.2672 6.2672 6.6524 6.6524 6.7044 6.7044 6.9811 6.9811 7.0035 7.0035 7.0941 7.0941 7.2422 7.2422 8.0709 8.0709 8.2375 8.2375 8.5695 8.5695 8.6209 8.6209 8.8429 8.8429 8.8654 8.8654 8.9748 8.9748 9.6970 9.6970 9.8067 9.8067 9.8816 9.8816 9.9995 9.9995 11.3247 11.3247 11.4192 11.4192 11.4684 11.4684 12.4666 12.4666 12.5082 12.5082 12.5322 12.5322 12.5789 12.5789 k = 0.3272 0.5667-0.0000 ( 6838 PWs) bands (ev): -0.9314 -0.9314 -0.9259 -0.9259 -0.3429 -0.3429 -0.3267 -0.3267 4.5880 4.5880 4.6762 4.6762 5.3205 5.3205 5.3777 5.3777 6.2106 6.2106 6.3207 6.3207 6.6494 6.6494 6.7106 6.7106 6.9780 6.9780 7.0064 7.0064 7.0938 7.0938 7.2416 7.2416 8.0710 8.0710 8.2373 8.2373 8.5682 8.5682 8.6222 8.6222 8.8432 8.8432 8.8657 8.8657 8.9752 8.9752 9.6963 9.6963 9.8067 9.8067 9.8822 9.8822 9.9980 9.9980 11.2881 11.2881 11.4274 11.4274 11.4976 11.4976 12.4396 12.4396 12.5303 12.5303 12.5356 12.5356 12.5730 12.5730 k = 0.3210 0.5560-0.0000 ( 6838 PWs) bands (ev): -0.9336 -0.9336 -0.9281 -0.9281 -0.3445 -0.3445 -0.3281 -0.3281 4.5802 4.5802 4.6689 4.6689 5.3149 5.3149 5.4155 5.4155 6.1553 6.1553 6.3722 6.3722 6.6435 6.6435 6.7263 6.7263 6.9709 6.9709 7.0130 7.0130 7.0927 7.0927 7.2396 7.2396 8.0711 8.0711 8.2369 8.2369 8.5648 8.5648 8.6257 8.6257 8.8441 8.8441 8.8669 8.8669 8.9768 8.9768 9.6938 9.6938 9.8066 9.8066 9.8840 9.8840 9.9943 9.9943 11.2220 11.2220 11.4330 11.4330 11.5603 11.5603 12.3960 12.3960 12.5336 12.5336 12.5649 12.5649 12.5782 12.5782 k = 0.3148 0.5453-0.0000 ( 6850 PWs) bands (ev): -0.9374 -0.9374 -0.9319 -0.9319 -0.3473 -0.3473 -0.3306 -0.3306 4.5690 4.5690 4.6580 4.6580 5.3190 5.3190 5.4621 5.4621 6.1012 6.1012 6.4180 6.4180 6.6405 6.6405 6.7473 6.7473 6.9619 6.9619 7.0208 7.0208 7.0912 7.0912 7.2363 7.2363 8.0715 8.0715 8.2361 8.2361 8.5603 8.5603 8.6306 8.6306 8.8457 8.8457 8.8688 8.8688 8.9795 8.9795 9.6895 9.6895 9.8060 9.8060 9.8863 9.8863 9.9902 9.9902 11.1507 11.1507 11.4366 11.4366 11.6301 11.6301 12.3506 12.3506 12.5298 12.5298 12.5770 12.5770 12.6165 12.6165 k = 0.3086 0.5346-0.0000 ( 6856 PWs) bands (ev): -0.9428 -0.9428 -0.9374 -0.9374 -0.3513 -0.3513 -0.3341 -0.3341 4.5562 4.5562 4.6452 4.6452 5.3324 5.3324 5.5147 5.5147 6.0486 6.0486 6.4537 6.4537 6.6461 6.6461 6.7719 6.7719 6.9517 6.9517 7.0284 7.0284 7.0899 7.0899 7.2317 7.2317 8.0721 8.0721 8.2353 8.2353 8.5555 8.5555 8.6362 8.6362 8.8479 8.8479 8.8717 8.8717 8.9836 8.9836 9.6831 9.6831 9.8036 9.8036 9.8883 9.8883 9.9884 9.9884 11.0788 11.0788 11.4394 11.4394 11.6998 11.6998 12.3058 12.3058 12.5271 12.5271 12.5896 12.5896 12.6610 12.6610 k = 0.3025 0.5239-0.0000 ( 6852 PWs) bands (ev): -0.9500 -0.9500 -0.9447 -0.9447 -0.3566 -0.3566 -0.3388 -0.3388 4.5430 4.5430 4.6319 4.6319 5.3538 5.3538 5.5715 5.5715 5.9982 5.9982 6.4746 6.4746 6.6651 6.6651 6.7991 6.7991 6.9405 6.9405 7.0345 7.0345 7.0897 7.0897 7.2261 7.2261 8.0729 8.0729 8.2346 8.2346 8.5508 8.5508 8.6420 8.6420 8.8509 8.8509 8.8756 8.8756 8.9891 8.9891 9.6750 9.6750 9.7978 9.7978 9.8894 9.8894 9.9916 9.9916 11.0077 11.0077 11.4411 11.4411 11.7664 11.7664 12.2635 12.2635 12.5278 12.5278 12.6040 12.6040 12.7071 12.7071 k = 0.2963 0.5132-0.0000 ( 6854 PWs) bands (ev): -0.9591 -0.9591 -0.9537 -0.9537 -0.3631 -0.3631 -0.3447 -0.3447 4.5306 4.5306 4.6198 4.6198 5.3821 5.3821 5.6311 5.6311 5.9500 5.9500 6.4803 6.4803 6.6977 6.6977 6.8284 6.8284 6.9286 6.9286 7.0377 7.0377 7.0922 7.0922 7.2198 7.2198 8.0741 8.0741 8.2343 8.2343 8.5467 8.5467 8.6477 8.6477 8.8544 8.8544 8.8807 8.8807 8.9962 8.9962 9.6652 9.6652 9.7869 9.7869 9.8900 9.8900 10.0015 10.0015 10.9381 10.9381 11.4410 11.4410 11.8266 11.8266 12.2262 12.2262 12.5329 12.5329 12.6193 12.6193 12.7542 12.7542 k = 0.2901 0.5025-0.0000 ( 6866 PWs) bands (ev): -0.9701 -0.9701 -0.9647 -0.9647 -0.3708 -0.3708 -0.3518 -0.3518 4.5198 4.5198 4.6100 4.6100 5.4159 5.4159 5.6923 5.6923 5.9044 5.9044 6.4748 6.4748 6.7392 6.7392 6.8587 6.8587 6.9171 6.9171 7.0369 7.0369 7.0982 7.0982 7.2135 7.2135 8.0757 8.0757 8.2346 8.2346 8.5432 8.5432 8.6530 8.6530 8.8584 8.8584 8.8872 8.8872 9.0049 9.0049 9.6541 9.6541 9.7699 9.7699 9.8914 9.8914 10.0181 10.0181 10.8706 10.8706 11.4383 11.4383 11.8748 11.8748 12.1993 12.1993 12.5429 12.5429 12.6349 12.6349 12.8016 12.8016 k = 0.2840 0.4918-0.0000 ( 6874 PWs) bands (ev): -0.9831 -0.9831 -0.9775 -0.9775 -0.3796 -0.3796 -0.3601 -0.3601 4.5111 4.5111 4.6035 4.6035 5.4545 5.4545 5.7541 5.7541 5.8617 5.8617 6.4623 6.4623 6.7848 6.7848 6.8816 6.8816 6.9141 6.9141 7.0326 7.0326 7.1072 7.1072 7.2078 7.2078 8.0776 8.0776 8.2358 8.2358 8.5404 8.5404 8.6578 8.6578 8.8627 8.8627 8.8953 8.8953 9.0152 9.0152 9.6419 9.6419 9.7473 9.7473 9.8942 9.8942 10.0404 10.0404 10.8055 10.8055 11.4324 11.4324 11.9027 11.9027 12.1908 12.1908 12.5581 12.5581 12.6501 12.6501 12.8488 12.8488 k = 0.2778 0.4811-0.0000 ( 6870 PWs) bands (ev): -0.9984 -0.9984 -0.9922 -0.9922 -0.3893 -0.3893 -0.3697 -0.3697 4.5051 4.5051 4.6010 4.6010 5.4968 5.4968 5.8151 5.8151 5.8225 5.8225 6.4450 6.4450 6.8309 6.8309 6.8774 6.8774 6.9395 6.9395 7.0262 7.0262 7.1178 7.1178 7.2041 7.2041 8.0800 8.0800 8.2383 8.2383 8.5384 8.5384 8.6620 8.6620 8.8673 8.8673 8.9053 8.9053 9.0273 9.0273 9.6288 9.6288 9.7205 9.7205 9.8985 9.8985 10.0676 10.0676 10.7432 10.7432 11.4228 11.4228 11.9043 11.9043 12.2067 12.2067 12.5783 12.5783 12.6641 12.6641 12.8952 12.8952 k = 0.2716 0.4704-0.0000 ( 6878 PWs) bands (ev): -1.0160 -1.0160 -1.0088 -1.0088 -0.3999 -0.3999 -0.3806 -0.3806 4.5019 4.5019 4.6031 4.6031 5.5424 5.5424 5.7852 5.7852 5.8762 5.8762 6.4239 6.4239 6.8584 6.8584 6.8802 6.8802 6.9757 6.9757 7.0198 7.0198 7.1284 7.1284 7.2038 7.2038 8.0830 8.0830 8.2422 8.2422 8.5370 8.5370 8.6653 8.6653 8.8720 8.8720 8.9172 8.9172 9.0410 9.0410 9.6143 9.6143 9.6912 9.6912 9.9039 9.9039 10.0989 10.0989 10.6842 10.6842 11.4090 11.4090 11.8835 11.8835 12.2429 12.2429 12.6036 12.6036 12.6764 12.6764 12.9401 12.9401 k = 0.2654 0.4597-0.0000 ( 6862 PWs) bands (ev): -1.0361 -1.0361 -1.0272 -1.0272 -0.4110 -0.4110 -0.3927 -0.3927 4.5020 4.5020 4.6100 4.6100 5.5904 5.5904 5.7520 5.7520 5.9348 5.9348 6.3993 6.3993 6.8429 6.8429 6.9184 6.9184 7.0092 7.0092 7.0218 7.0218 7.1380 7.1380 7.2087 7.2087 8.0866 8.0866 8.2481 8.2481 8.5361 8.5361 8.6679 8.6679 8.8769 8.8769 8.9312 8.9312 9.0563 9.0563 9.5975 9.5975 9.6616 9.6616 9.9098 9.9098 10.1339 10.1339 10.6289 10.6289 11.3911 11.3911 11.8494 11.8494 12.2901 12.2901 12.6332 12.6332 12.6868 12.6868 12.9827 12.9827 k = 0.2593 0.4491-0.0000 ( 6854 PWs) bands (ev): -1.0588 -1.0588 -1.0473 -1.0473 -0.4225 -0.4225 -0.4062 -0.4062 4.5053 4.5053 4.6220 4.6220 5.6399 5.6399 5.7232 5.7232 5.9906 5.9906 6.3712 6.3712 6.8241 6.8241 6.9444 6.9444 7.0219 7.0219 7.0573 7.0573 7.1473 7.1473 7.2194 7.2194 8.0909 8.0909 8.2561 8.2561 8.5356 8.5356 8.6695 8.6695 8.8818 8.8818 8.9472 8.9472 9.0733 9.0733 9.5763 9.5763 9.6351 9.6351 9.9159 9.9159 10.1720 10.1720 10.5779 10.5779 11.3689 11.3689 11.8085 11.8085 12.3417 12.3417 12.6641 12.6641 12.6975 12.6975 13.0220 13.0220 k = 0.2531 0.4384-0.0000 ( 6852 PWs) bands (ev): -1.0842 -1.0842 -1.0690 -1.0690 -0.4343 -0.4343 -0.4209 -0.4209 4.5121 4.5121 4.6390 4.6390 5.6790 5.6790 5.7102 5.7102 6.0429 6.0429 6.3400 6.3400 6.8040 6.8040 6.9487 6.9487 7.0501 7.0501 7.0946 7.0946 7.1601 7.1601 7.2352 7.2352 8.0961 8.0961 8.2666 8.2666 8.5351 8.5351 8.6702 8.6702 8.8869 8.8869 8.9652 8.9652 9.0918 9.0918 9.5483 9.5483 9.6144 9.6144 9.9216 9.9216 10.2131 10.2131 10.5316 10.5316 11.3428 11.3428 11.7642 11.7642 12.3936 12.3936 12.6836 12.6836 12.7211 12.7211 13.0568 13.0568 k = 0.2469 0.4277-0.0000 ( 6846 PWs) bands (ev): -1.1121 -1.1121 -1.0925 -1.0925 -0.4460 -0.4460 -0.4370 -0.4370 4.5222 4.5222 4.6610 4.6610 5.6669 5.6669 5.7536 5.7536 6.0904 6.0904 6.3061 6.3061 6.7828 6.7828 6.9409 6.9409 7.0879 7.0879 7.1244 7.1244 7.1837 7.1837 7.2549 7.2549 8.1024 8.1024 8.2797 8.2797 8.5347 8.5347 8.6701 8.6701 8.8921 8.8921 8.9850 8.9850 9.1118 9.1118 9.5146 9.5146 9.5995 9.5995 9.9267 9.9267 10.2568 10.2568 10.4908 10.4908 11.3132 11.3132 11.7181 11.7181 12.4427 12.4427 12.6894 12.6894 12.7605 12.7605 13.0846 13.0846 k = 0.2407 0.4170-0.0000 ( 6838 PWs) bands (ev): -1.1427 -1.1427 -1.1174 -1.1174 -0.4576 -0.4576 -0.4542 -0.4542 4.5358 4.5358 4.6878 4.6878 5.6483 5.6483 5.8085 5.8085 6.1306 6.1306 6.2713 6.2713 6.7607 6.7607 6.9286 6.9286 7.1238 7.1238 7.1496 7.1496 7.2198 7.2198 7.2774 7.2774 8.1099 8.1099 8.2957 8.2957 8.5341 8.5341 8.6691 8.6691 8.8974 8.8974 9.0066 9.0066 9.1332 9.1332 9.4774 9.4774 9.5883 9.5883 9.9304 9.9304 10.3028 10.3028 10.4561 10.4561 11.2806 11.2806 11.6712 11.6712 12.4847 12.4847 12.6942 12.6942 12.8059 12.8059 13.0706 13.0706 k = 0.2346 0.4063-0.0000 ( 6844 PWs) bands (ev): -1.1759 -1.1759 -1.1439 -1.1439 -0.4726 -0.4726 -0.4687 -0.4687 4.5528 4.5528 4.7192 4.7192 5.6325 5.6325 5.8656 5.8656 6.1553 6.1553 6.2438 6.2438 6.7379 6.7379 6.9144 6.9144 7.1465 7.1465 7.1859 7.1859 7.2622 7.2622 7.3021 7.3021 8.1188 8.1188 8.3148 8.3148 8.5331 8.5331 8.6673 8.6673 8.9029 8.9029 9.0299 9.0299 9.1559 9.1559 9.4384 9.4384 9.5797 9.5797 9.9326 9.9326 10.3507 10.3507 10.4285 10.4285 11.2456 11.2456 11.6240 11.6240 12.5129 12.5129 12.7068 12.7068 12.8541 12.8541 13.0071 13.0071 k = 0.2284 0.3956-0.0000 ( 6832 PWs) bands (ev): -1.2115 -1.2115 -1.1718 -1.1718 -0.4922 -0.4922 -0.4794 -0.4794 4.5730 4.5730 4.7549 4.7549 5.6201 5.6201 5.9241 5.9241 6.1439 6.1439 6.2438 6.2438 6.7146 6.7146 6.8992 6.8992 7.1638 7.1638 7.2293 7.2293 7.3066 7.3066 7.3286 7.3286 8.1292 8.1292 8.3371 8.3371 8.5317 8.5317 8.6647 8.6647 8.9085 8.9085 9.0546 9.0546 9.1797 9.1797 9.3985 9.3985 9.5732 9.5732 9.9328 9.9328 10.3952 10.3952 10.4136 10.4136 11.2089 11.2089 11.5770 11.5770 12.5213 12.5213 12.7337 12.7337 12.9035 12.9035 12.9394 12.9394 k = 0.2222 0.3849-0.0000 ( 6840 PWs) bands (ev): -1.2493 -1.2493 -1.2009 -1.2009 -0.5129 -0.5129 -0.4895 -0.4895 4.5965 4.5965 4.7945 4.7945 5.6113 5.6113 5.9833 5.9833 6.1045 6.1045 6.2633 6.2633 6.6910 6.6910 6.8834 6.8834 7.1821 7.1821 7.2744 7.2744 7.3513 7.3513 7.3570 7.3570 8.1412 8.1412 8.3626 8.3626 8.5296 8.5296 8.6615 8.6615 8.9143 8.9143 9.0807 9.0807 9.2045 9.2045 9.3583 9.3583 9.5686 9.5686 9.9309 9.9309 10.3919 10.3919 10.4557 10.4557 11.1713 11.1713 11.5303 11.5303 12.5112 12.5112 12.7744 12.7744 12.8692 12.8692 12.9547 12.9547 k = 0.2160 0.3742-0.0000 ( 6840 PWs) bands (ev): -1.2893 -1.2893 -1.2312 -1.2312 -0.5345 -0.5345 -0.4990 -0.4990 4.6230 4.6230 4.8377 4.8377 5.6061 5.6061 6.0387 6.0387 6.0601 6.0601 6.2839 6.2839 6.6673 6.6673 6.8671 6.8671 7.2029 7.2029 7.3201 7.3201 7.3859 7.3859 7.3966 7.3966 8.1552 8.1552 8.3911 8.3911 8.5270 8.5270 8.6577 8.6577 8.9203 8.9203 9.1080 9.1080 9.2296 9.2296 9.3188 9.3188 9.5657 9.5657 9.9271 9.9271 10.3868 10.3868 10.5089 10.5089 11.1334 11.1334 11.4843 11.4843 12.4885 12.4885 12.7987 12.7987 12.8241 12.8241 13.0045 13.0045 k = 0.2099 0.3635-0.0000 ( 6846 PWs) bands (ev): -1.3311 -1.3311 -1.2625 -1.2625 -0.5572 -0.5572 -0.5078 -0.5078 4.6526 4.6526 4.8840 4.8840 5.6045 5.6045 5.9999 5.9999 6.1060 6.1060 6.3008 6.3008 6.6440 6.6440 6.8504 6.8504 7.2267 7.2267 7.3659 7.3659 7.4169 7.4169 7.4409 7.4409 8.1710 8.1710 8.4225 8.4225 8.5238 8.5238 8.6533 8.6533 8.9265 8.9265 9.1362 9.1362 9.2496 9.2496 9.2853 9.2853 9.5644 9.5644 9.9219 9.9219 10.3887 10.3887 10.5638 10.5638 11.0959 11.0959 11.4389 11.4389 12.4577 12.4577 12.7282 12.7282 12.8774 12.8774 13.0526 13.0526 k = 0.2037 0.3528-0.0000 ( 6854 PWs) bands (ev): -1.3746 -1.3746 -1.2946 -1.2946 -0.5807 -0.5807 -0.5159 -0.5159 4.6849 4.6849 4.9330 4.9330 5.6066 5.6066 5.9436 5.9436 6.1664 6.1664 6.3129 6.3129 6.6215 6.6215 6.8332 6.8332 7.2535 7.2535 7.4112 7.4112 7.4492 7.4492 7.4846 7.4846 8.1889 8.1889 8.4563 8.4563 8.5201 8.5201 8.6484 8.6484 8.9330 8.9330 9.1650 9.1650 9.2304 9.2304 9.2924 9.2924 9.5648 9.5648 9.9162 9.9162 10.3974 10.3974 10.6200 10.6200 11.0595 11.0595 11.3945 11.3945 12.4218 12.4218 12.6573 12.6573 12.9313 12.9313 13.0934 13.0934 k = 0.1975 0.3421-0.0000 ( 6862 PWs) bands (ev): -1.4195 -1.4195 -1.3276 -1.3276 -0.6050 -0.6050 -0.5233 -0.5233 4.7199 4.7199 4.9840 4.9840 5.6123 5.6123 5.8848 5.8848 6.2264 6.2264 6.3202 6.3202 6.6007 6.6007 6.8154 6.8154 7.2833 7.2833 7.4557 7.4557 7.4828 7.4828 7.5278 7.5278 8.2088 8.2088 8.4919 8.4919 8.5161 8.5161 8.6433 8.6433 8.9397 8.9397 9.1848 9.1848 9.2029 9.2029 9.3186 9.3186 9.5669 9.5669 9.9106 9.9106 10.4123 10.4123 10.6770 10.6770 11.0247 11.0247 11.3512 11.3512 12.3825 12.3825 12.5865 12.5865 12.9765 12.9765 13.0910 13.0910 k = 0.1914 0.3314-0.0000 ( 6860 PWs) bands (ev): -1.4656 -1.4656 -1.3611 -1.3611 -0.6300 -0.6300 -0.5300 -0.5300 4.7574 4.7574 5.0367 5.0367 5.6215 5.6215 5.8245 5.8245 6.2844 6.2844 6.3228 6.3228 6.5831 6.5831 6.7967 6.7967 7.3160 7.3160 7.4987 7.4987 7.5178 7.5178 7.5707 7.5707 8.2307 8.2307 8.5112 8.5112 8.5294 8.5294 8.6382 8.6382 8.9469 8.9469 9.1512 9.1512 9.2282 9.2282 9.3471 9.3471 9.5704 9.5704 9.9063 9.9063 10.4330 10.4330 10.7345 10.7345 10.9923 10.9923 11.3090 11.3090 12.3411 12.3411 12.5162 12.5162 12.9844 12.9844 13.0957 13.0957 k = 0.1852 0.3208-0.0000 ( 6858 PWs) bands (ev): -1.5125 -1.5125 -1.3951 -1.3951 -0.6556 -0.6556 -0.5360 -0.5360 4.7972 4.7972 5.0905 5.0905 5.6340 5.6340 5.7633 5.7633 6.3209 6.3209 6.3373 6.3373 6.5720 6.5720 6.7770 6.7770 7.3515 7.3515 7.5395 7.5395 7.5543 7.5543 7.6134 7.6134 8.2547 8.2547 8.5071 8.5071 8.5657 8.5657 8.6340 8.6340 8.9546 8.9546 9.1128 9.1128 9.2591 9.2591 9.3762 9.3762 9.5755 9.5755 9.9038 9.9038 10.4587 10.4587 10.7922 10.7922 10.9628 10.9628 11.2681 11.2681 12.2984 12.2984 12.4466 12.4466 12.9533 12.9533 13.0788 13.0788 k = 0.1790 0.3101-0.0000 ( 6866 PWs) bands (ev): -1.5601 -1.5601 -1.4295 -1.4295 -0.6817 -0.6817 -0.5415 -0.5415 4.8391 4.8391 5.1448 5.1448 5.6486 5.6486 5.7027 5.7027 6.3154 6.3154 6.3784 6.3784 6.5742 6.5742 6.7561 6.7561 7.3895 7.3895 7.5772 7.5772 7.5925 7.5925 7.6562 7.6562 8.2804 8.2804 8.5030 8.5030 8.5968 8.5968 8.6350 8.6350 8.9631 8.9631 9.0746 9.0746 9.2907 9.2907 9.4056 9.4056 9.5819 9.5819 9.9038 9.9038 10.4892 10.4892 10.8487 10.8487 10.9376 10.9376 11.2288 11.2288 12.2553 12.2553 12.3781 12.3781 12.9109 12.9109 13.0621 13.0621 k = 0.1728 0.2994-0.0000 ( 6870 PWs) bands (ev): -1.6081 -1.6081 -1.4640 -1.4640 -0.7082 -0.7082 -0.5464 -0.5464 4.8829 4.8829 5.1990 5.1990 5.6327 5.6327 5.6756 5.6756 6.3064 6.3064 6.3997 6.3997 6.5978 6.5978 6.7340 6.7340 7.4299 7.4299 7.6113 7.6113 7.6324 7.6324 7.6991 7.6991 8.3077 8.3077 8.4997 8.4997 8.6072 8.6072 8.6560 8.6560 8.9727 8.9727 9.0374 9.0374 9.3227 9.3227 9.4351 9.4351 9.5897 9.5897 9.9066 9.9066 10.5241 10.5241 10.8934 10.8934 10.9276 10.9276 11.1910 11.1910 12.2124 12.2124 12.3109 12.3109 12.8659 12.8659 13.0449 13.0449 k = 0.1667 0.2887-0.0000 ( 6868 PWs) bands (ev): -1.6562 -1.6562 -1.4986 -1.4986 -0.7351 -0.7351 -0.5507 -0.5507 4.9284 4.9284 5.2526 5.2526 5.5727 5.5727 5.6961 5.6961 6.2947 6.2947 6.4015 6.4015 6.6425 6.6425 6.7108 6.7108 7.4725 7.4725 7.6418 7.6418 7.6737 7.6737 7.7420 7.7420 8.3360 8.3360 8.4973 8.4973 8.6041 8.6041 8.6892 8.6892 8.9836 8.9836 9.0015 9.0015 9.3549 9.3549 9.4645 9.4645 9.5986 9.5986 9.9126 9.9126 10.5633 10.5633 10.8878 10.8878 10.9712 10.9712 11.1550 11.1550 12.1701 12.1701 12.2452 12.2452 12.8204 12.8204 13.0267 13.0267 k = 0.1605 0.2780-0.0000 ( 6877 PWs) bands (ev): -1.7042 -1.7042 -1.5332 -1.5332 -0.7621 -0.7621 -0.5546 -0.5546 4.9753 4.9753 5.3048 5.3048 5.5110 5.5110 5.7220 5.7220 6.2806 6.2806 6.3918 6.3918 6.6817 6.6817 6.7051 6.7051 7.5168 7.5168 7.6686 7.6686 7.7161 7.7161 7.7845 7.7845 8.3646 8.3646 8.4964 8.4964 8.5983 8.5983 8.7231 8.7231 8.9662 8.9662 8.9973 8.9973 9.3872 9.3872 9.4938 9.4938 9.6087 9.6087 9.9217 9.9217 10.6066 10.6066 10.8746 10.8746 11.0255 11.0255 11.1212 11.1212 12.1290 12.1290 12.1814 12.1814 12.7756 12.7756 13.0067 13.0067 k = 0.1543 0.2673-0.0000 ( 6883 PWs) bands (ev): -1.7520 -1.7520 -1.5675 -1.5675 -0.7891 -0.7891 -0.5580 -0.5580 5.0236 5.0236 5.3537 5.3537 5.4512 5.4512 5.7515 5.7515 6.2647 6.2647 6.3770 6.3770 6.6579 6.6579 6.7685 6.7685 7.5625 7.5625 7.6918 7.6918 7.7595 7.7595 7.8261 7.8261 8.3926 8.3926 8.4976 8.4976 8.5919 8.5919 8.7551 8.7551 8.9340 8.9340 9.0129 9.0129 9.4198 9.4198 9.5228 9.5228 9.6199 9.6199 9.9336 9.9336 10.6539 10.6539 10.8649 10.8649 11.0732 11.0732 11.0959 11.0959 12.0895 12.0895 12.1197 12.1197 12.7319 12.7319 12.9839 12.9839 k = 0.1481 0.2566-0.0000 ( 6893 PWs) bands (ev): -1.7993 -1.7993 -1.6014 -1.6014 -0.8162 -0.8162 -0.5609 -0.5609 5.0729 5.0729 5.3724 5.3724 5.4204 5.4204 5.7841 5.7841 6.2473 6.2473 6.3601 6.3601 6.6306 6.6306 6.8384 6.8384 7.6089 7.6089 7.7117 7.7117 7.8037 7.8037 7.8663 7.8663 8.4185 8.4185 8.5013 8.5013 8.5856 8.5856 8.7839 8.7839 8.9052 8.9052 9.0318 9.0318 9.4526 9.4526 9.5513 9.5513 9.6320 9.6320 9.9481 9.9481 10.7049 10.7049 10.8601 10.8601 11.0558 11.0558 11.1365 11.1365 12.0513 12.0513 12.0607 12.0607 12.6898 12.6898 12.9575 12.9575 k = 0.1420 0.2459-0.0000 ( 6881 PWs) bands (ev): -1.8459 -1.8459 -1.6350 -1.6350 -0.8431 -0.8431 -0.5636 -0.5636 5.1230 5.1230 5.3206 5.3206 5.4588 5.4588 5.8196 5.8196 6.2288 6.2288 6.3425 6.3425 6.6022 6.6022 6.9116 6.9116 7.6546 7.6546 7.7294 7.7294 7.8483 7.8483 7.9047 7.9047 8.4406 8.4406 8.5081 8.5081 8.5801 8.5801 8.8060 8.8060 8.8840 8.8840 9.0549 9.0549 9.4856 9.4856 9.5794 9.5794 9.6452 9.6452 9.9647 9.9647 10.7588 10.7588 10.8611 10.8611 11.0284 11.0284 11.1873 11.1873 12.0020 12.0020 12.0175 12.0175 12.6495 12.6495 12.9265 12.9265 k = 0.1358 0.2352-0.0000 ( 6889 PWs) bands (ev): -1.8916 -1.8916 -1.6679 -1.6679 -0.8698 -0.8698 -0.5658 -0.5658 5.1735 5.1735 5.2624 5.2624 5.5023 5.5023 5.8579 5.8579 6.2095 6.2095 6.3249 6.3249 6.5729 6.5729 6.9870 6.9870 7.6952 7.6952 7.7491 7.7491 7.8928 7.8928 7.9406 7.9406 8.4570 8.4570 8.5177 8.5177 8.5764 8.5764 8.8121 8.8121 8.8805 8.8805 9.0828 9.0828 9.5190 9.5190 9.6067 9.6067 9.6597 9.6597 9.9828 9.9828 10.8126 10.8126 10.8707 10.8707 11.0028 11.0028 11.2364 11.2364 11.9477 11.9477 11.9843 11.9843 12.6114 12.6114 12.8903 12.8903 k = 0.1296 0.2245-0.0000 ( 6889 PWs) bands (ev): -1.9363 -1.9363 -1.7002 -1.7002 -0.8961 -0.8961 -0.5678 -0.5678 5.2025 5.2025 5.2266 5.2266 5.5440 5.5440 5.8989 5.8989 6.1897 6.1897 6.3078 6.3078 6.5431 6.5431 7.0642 7.0642 7.7209 7.7209 7.7802 7.7802 7.9366 7.9366 7.9737 7.9737 8.4668 8.4668 8.5289 8.5289 8.5756 8.5756 8.8016 8.8016 8.8966 8.8966 9.1162 9.1162 9.5526 9.5526 9.6333 9.6333 9.6756 9.6756 10.0021 10.0021 10.8531 10.8531 10.9021 10.9021 10.9795 10.9795 11.2829 11.2829 11.8957 11.8957 11.9540 11.9540 12.5757 12.5757 12.8484 12.8484 k = 0.1235 0.2138-0.0000 ( 6889 PWs) bands (ev): -1.9798 -1.9798 -1.7316 -1.7316 -0.9219 -0.9219 -0.5695 -0.5695 5.1472 5.1472 5.2765 5.2765 5.5832 5.5832 5.9421 5.9421 6.1696 6.1696 6.2913 6.2913 6.5129 6.5129 7.1427 7.1427 7.7314 7.7314 7.8229 7.8229 7.9784 7.9784 8.0040 8.0040 8.4697 8.4697 8.5411 8.5411 8.5781 8.5781 8.7874 8.7874 8.9206 8.9206 9.1556 9.1556 9.5859 9.5859 9.6590 9.6590 9.6936 9.6936 10.0222 10.0222 10.8757 10.8757 10.9580 10.9580 10.9598 10.9598 11.3264 11.3264 11.8466 11.8466 11.9265 11.9265 12.5428 12.5428 12.8008 12.8008 k = 0.1173 0.2031-0.0000 ( 6909 PWs) bands (ev): -2.0220 -2.0220 -1.7622 -1.7622 -0.9472 -0.9472 -0.5710 -0.5710 5.0923 5.0923 5.3275 5.3275 5.6196 5.6196 5.9875 5.9875 6.1494 6.1494 6.2758 6.2758 6.4826 6.4826 7.2222 7.2222 7.7345 7.7345 7.8693 7.8693 8.0140 8.0140 8.0343 8.0343 8.4660 8.4660 8.5549 8.5549 8.5824 8.5824 8.7755 8.7755 8.9476 8.9476 9.2013 9.2013 9.6184 9.6184 9.6841 9.6841 9.7143 9.7143 10.0429 10.0429 10.8965 10.8965 10.9402 10.9402 11.0248 11.0248 11.3667 11.3667 11.8003 11.8003 11.9017 11.9017 12.5130 12.5130 12.7476 12.7476 k = 0.1111 0.1925-0.0000 ( 6905 PWs) bands (ev): -2.0627 -2.0627 -1.7917 -1.7917 -0.9718 -0.9718 -0.5722 -0.5722 5.0392 5.0392 5.3782 5.3782 5.6531 5.6531 6.0343 6.0343 6.1296 6.1296 6.2616 6.2616 6.4526 6.4526 7.3021 7.3021 7.7333 7.7333 7.9160 7.9160 8.0373 8.0373 8.0694 8.0694 8.4572 8.4572 8.5714 8.5714 8.5863 8.5863 8.7679 8.7679 8.9766 8.9766 9.2530 9.2530 9.6491 9.6491 9.7092 9.7092 9.7384 9.7384 10.0644 10.0644 10.9156 10.9156 10.9290 10.9290 11.0929 11.0929 11.4034 11.4034 11.7569 11.7569 11.8794 11.8794 12.4865 12.4865 12.6891 12.6891 k = 0.1049 0.1818-0.0000 ( 6909 PWs) bands (ev): -2.1019 -2.1019 -1.8202 -1.8202 -0.9957 -0.9957 -0.5733 -0.5733 4.9880 4.9880 5.4283 5.4283 5.6839 5.6839 6.0810 6.0810 6.1109 6.1109 6.2493 6.2493 6.4232 6.4232 7.3821 7.3821 7.7292 7.7292 7.9616 7.9616 8.0506 8.0506 8.1055 8.1055 8.4454 8.4454 8.5873 8.5873 8.5917 8.5917 8.7652 8.7652 9.0076 9.0076 9.3098 9.3098 9.6776 9.6776 9.7349 9.7349 9.7663 9.7663 10.0868 10.0868 10.9072 10.9072 10.9512 10.9512 11.1618 11.1618 11.4364 11.4364 11.7165 11.7165 11.8594 11.8594 12.4638 12.4638 12.6258 12.6258 k = 0.0988 0.1711-0.0000 ( 6897 PWs) bands (ev): -2.1393 -2.1393 -1.8475 -1.8475 -1.0187 -1.0187 -0.5742 -0.5742 4.9390 4.9390 5.4776 5.4776 5.7121 5.7121 6.0886 6.0886 6.1302 6.1302 6.2407 6.2407 6.3947 6.3947 7.4618 7.4618 7.7229 7.7229 8.0051 8.0051 8.0561 8.0561 8.1395 8.1395 8.4323 8.4323 8.5878 8.5878 8.6127 8.6127 8.7674 8.7674 9.0410 9.0410 9.3704 9.3704 9.7044 9.7044 9.7617 9.7617 9.7977 9.7977 10.1108 10.1108 10.8954 10.8954 10.9825 10.9825 11.2295 11.2295 11.4654 11.4654 11.6792 11.6792 11.8410 11.8410 12.4450 12.4450 12.5583 12.5583 k = 0.0926 0.1604-0.0000 ( 6901 PWs) bands (ev): -2.1750 -2.1750 -1.8736 -1.8736 -1.0408 -1.0408 -0.5749 -0.5749 4.8923 4.8923 5.5259 5.5259 5.7376 5.7376 6.0705 6.0705 6.1665 6.1665 6.2429 6.2429 6.3681 6.3681 7.5404 7.5404 7.7149 7.7149 8.0432 8.0432 8.0567 8.0567 8.1704 8.1704 8.4194 8.4194 8.5856 8.5856 8.6358 8.6358 8.7741 8.7741 9.0772 9.0772 9.4323 9.4323 9.7312 9.7312 9.7908 9.7908 9.8314 9.8314 10.1372 10.1372 10.8851 10.8851 11.0173 11.0173 11.2943 11.2943 11.4902 11.4902 11.6451 11.6451 11.8238 11.8238 12.4289 12.4289 12.4877 12.4877 k = 0.0864 0.1497-0.0000 ( 6903 PWs) bands (ev): -2.2087 -2.2087 -1.8983 -1.8983 -1.0619 -1.0619 -0.5756 -0.5756 4.8481 4.8481 5.5728 5.5728 5.7607 5.7607 6.0525 6.0525 6.1799 6.1799 6.2669 6.2669 6.3463 6.3463 7.6175 7.6175 7.7059 7.7059 8.0412 8.0412 8.0868 8.0868 8.1978 8.1978 8.4076 8.4076 8.5816 8.5816 8.6600 8.6600 8.7850 8.7850 9.1164 9.1164 9.4920 9.4920 9.7604 9.7604 9.8237 9.8237 9.8661 9.8661 10.1670 10.1670 10.8764 10.8764 11.0550 11.0550 11.3540 11.3540 11.5104 11.5104 11.6146 11.6146 11.8068 11.8068 12.4013 12.4013 12.4219 12.4219 k = 0.0802 0.1390-0.0000 ( 6899 PWs) bands (ev): -2.2405 -2.2405 -1.9216 -1.9216 -1.0818 -1.0818 -0.5761 -0.5761 4.8064 4.8064 5.6181 5.6181 5.7816 5.7816 6.0352 6.0352 6.1769 6.1769 6.2869 6.2869 6.3481 6.3481 7.6875 7.6875 7.7011 7.7011 8.0238 8.0238 8.1218 8.1218 8.2214 8.2214 8.3974 8.3974 8.5759 8.5759 8.6844 8.6844 8.7995 8.7995 9.1588 9.1588 9.5450 9.5450 9.7936 9.7936 9.8621 9.8621 9.9015 9.9015 10.2015 10.2015 10.8690 10.8690 11.0950 11.0950 11.4062 11.4062 11.5246 11.5246 11.5892 11.5892 11.7892 11.7892 12.3307 12.3307 12.3637 12.3637 k = 0.0741 0.1283-0.0000 ( 6907 PWs) bands (ev): -2.2703 -2.2703 -1.9434 -1.9434 -1.1006 -1.1006 -0.5765 -0.5765 4.7674 4.7674 5.6616 5.6616 5.8004 5.8004 6.0188 6.0188 6.1692 6.1692 6.2746 6.2746 6.3898 6.3898 7.6840 7.6840 7.7669 7.7669 7.9997 7.9997 8.1536 8.1536 8.2413 8.2413 8.3889 8.3889 8.5690 8.5690 8.7084 8.7084 8.8169 8.8169 9.2043 9.2043 9.5877 9.5877 9.8317 9.8317 9.9030 9.9030 9.9430 9.9430 10.2416 10.2416 10.8627 10.8627 11.1364 11.1364 11.4483 11.4483 11.5281 11.5281 11.5736 11.5736 11.7700 11.7700 12.2512 12.2512 12.2962 12.2962 k = 0.0679 0.1176-0.0000 ( 6893 PWs) bands (ev): -2.2979 -2.2979 -1.9637 -1.9637 -1.1182 -1.1182 -0.5768 -0.5768 4.7311 4.7311 5.7030 5.7030 5.8172 5.8172 6.0035 6.0035 6.1603 6.1603 6.2541 6.2541 6.4435 6.4435 7.6733 7.6733 7.8366 7.8366 7.9701 7.9701 8.1820 8.1820 8.2578 8.2578 8.3820 8.3820 8.5609 8.5609 8.7316 8.7316 8.8363 8.8363 9.2525 9.2525 9.6188 9.6188 9.8738 9.8738 9.9358 9.9358 10.0023 10.0023 10.2879 10.2879 10.8575 10.8575 11.1788 11.1788 11.4776 11.4776 11.5171 11.5171 11.5718 11.5718 11.7483 11.7483 12.1689 12.1689 12.2309 12.2309 k = 0.0617 0.1069-0.0000 ( 6881 PWs) bands (ev): -2.3233 -2.3233 -1.9825 -1.9825 -1.1344 -1.1344 -0.5771 -0.5771 4.6977 4.6977 5.7422 5.7422 5.8322 5.8322 5.9893 5.9893 6.1513 6.1513 6.2332 6.2332 6.5002 6.5002 7.6625 7.6625 7.9030 7.9030 7.9361 7.9361 8.2069 8.2069 8.2711 8.2711 8.3766 8.3766 8.5521 8.5521 8.7534 8.7534 8.8567 8.8567 9.3028 9.3028 9.6401 9.6401 9.9194 9.9194 9.9593 9.9593 10.0792 10.0792 10.3406 10.3406 10.8531 10.8531 11.2211 11.2211 11.4922 11.4922 11.5003 11.5003 11.5755 11.5755 11.7232 11.7232 12.0843 12.0843 12.1700 12.1700 k = 0.0556 0.0962-0.0000 ( 6891 PWs) bands (ev): -2.3464 -2.3464 -1.9996 -1.9996 -1.1493 -1.1493 -0.5773 -0.5773 4.6672 4.6672 5.7788 5.7788 5.8455 5.8455 5.9764 5.9764 6.1424 6.1424 6.2134 6.2134 6.5578 6.5578 7.6518 7.6518 7.8990 7.8990 7.9655 7.9655 8.2281 8.2281 8.2818 8.2818 8.3725 8.3725 8.5427 8.5427 8.7736 8.7736 8.8771 8.8771 9.3546 9.3546 9.6543 9.6543 9.9685 9.9685 9.9772 9.9772 10.1673 10.1673 10.3991 10.3991 10.8493 10.8493 11.2625 11.2625 11.4825 11.4825 11.4928 11.4928 11.5786 11.5786 11.6940 11.6940 11.9977 11.9977 12.1142 12.1142 k = 0.0494 0.0855-0.0000 ( 6895 PWs) bands (ev): -2.3673 -2.3673 -2.0150 -2.0150 -1.1628 -1.1628 -0.5775 -0.5775 4.6398 4.6398 5.8127 5.8127 5.8571 5.8571 5.9649 5.9649 6.1337 6.1337 6.1951 6.1951 6.6151 6.6151 7.6414 7.6414 7.8599 7.8599 8.0236 8.0236 8.2457 8.2457 8.2902 8.2902 8.3698 8.3698 8.5328 8.5328 8.7922 8.7922 8.8968 8.8968 9.4067 9.4067 9.6636 9.6636 9.9911 9.9911 10.0210 10.0210 10.2622 10.2622 10.4630 10.4630 10.8461 10.8461 11.3020 11.3020 11.4672 11.4672 11.4789 11.4789 11.5798 11.5798 11.6601 11.6601 11.9094 11.9094 12.0473 12.0473 k = 0.0432 0.0748-0.0000 ( 6887 PWs) bands (ev): -2.3858 -2.3858 -2.0287 -2.0287 -1.1747 -1.1747 -0.5776 -0.5776 4.6154 4.6154 5.8437 5.8437 5.8670 5.8670 5.9551 5.9551 6.1253 6.1253 6.1786 6.1786 6.6714 6.6714 7.6312 7.6312 7.8200 7.8200 8.0768 8.0768 8.2598 8.2598 8.2969 8.2969 8.3685 8.3685 8.5227 8.5227 8.8088 8.8088 8.9149 8.9149 9.4582 9.4582 9.6696 9.6696 10.0019 10.0019 10.0765 10.0765 10.3612 10.3612 10.5316 10.5316 10.8435 10.8435 11.3382 11.3382 11.4526 11.4526 11.4557 11.4557 11.5785 11.5785 11.6213 11.6213 11.8199 11.8199 11.9439 11.9439 k = 0.0370 0.0642-0.0000 ( 6879 PWs) bands (ev): -2.4019 -2.4019 -2.0406 -2.0406 -1.1852 -1.1852 -0.5777 -0.5777 4.5942 4.5942 5.8701 5.8701 5.8765 5.8765 5.9470 5.9470 6.1172 6.1172 6.1640 6.1640 6.7256 6.7256 7.6212 7.6212 7.7806 7.7806 8.1247 8.1247 8.2704 8.2704 8.3022 8.3022 8.3685 8.3685 8.5124 8.5124 8.8235 8.8235 8.9311 8.9311 9.5077 9.5077 9.6734 9.6734 10.0103 10.0103 10.1340 10.1340 10.4616 10.4616 10.6042 10.6042 10.8414 10.8414 11.3687 11.3687 11.4218 11.4218 11.4452 11.4452 11.5695 11.5695 11.5824 11.5824 11.7301 11.7301 11.8445 11.8445 k = 0.0309 0.0535-0.0000 ( 6871 PWs) bands (ev): -2.4156 -2.4156 -2.0508 -2.0508 -1.1942 -1.1942 -0.5778 -0.5778 4.5761 4.5761 5.8799 5.8799 5.8973 5.8973 5.9410 5.9410 6.1092 6.1092 6.1517 6.1517 6.7766 6.7766 7.6110 7.6110 7.7435 7.7435 8.1665 8.1665 8.2782 8.2782 8.3067 8.3067 8.3695 8.3695 8.5021 8.5021 8.8361 8.8361 8.9451 8.9451 9.5536 9.5536 9.6758 9.6758 10.0167 10.0167 10.1919 10.1919 10.5611 10.5611 10.6799 10.6799 10.8400 10.8400 11.3832 11.3832 11.3929 11.3929 11.4418 11.4418 11.5238 11.5238 11.5722 11.5722 11.6412 11.6412 11.7536 11.7536 k = 0.0247 0.0428-0.0000 ( 6875 PWs) bands (ev): -2.4269 -2.4269 -2.0591 -2.0591 -1.2015 -1.2015 -0.5778 -0.5778 4.5613 4.5613 5.8842 5.8842 5.9181 5.9181 5.9373 5.9373 6.1017 6.1017 6.1416 6.1416 6.8229 6.8229 7.6003 7.6003 7.7107 7.7107 8.2017 8.2017 8.2838 8.2838 8.3107 8.3107 8.3713 8.3713 8.4920 8.4920 8.8464 8.8464 8.9566 8.9566 9.5944 9.5944 9.6774 9.6774 10.0216 10.0216 10.2478 10.2478 10.6570 10.6570 10.7571 10.7571 10.8403 10.8403 11.3504 11.3504 11.3980 11.3980 11.4458 11.4458 11.4685 11.4685 11.5537 11.5537 11.5648 11.5648 11.6767 11.6767 k = 0.0185 0.0321-0.0000 ( 6873 PWs) bands (ev): -2.4356 -2.4356 -2.0656 -2.0656 -1.2072 -1.2072 -0.5779 -0.5779 4.5497 4.5497 5.8865 5.8865 5.9321 5.9321 5.9385 5.9385 6.0946 6.0946 6.1339 6.1339 6.8627 6.8627 7.5888 7.5888 7.6845 7.6845 8.2291 8.2291 8.2877 8.2877 8.3148 8.3148 8.3734 8.3734 8.4826 8.4826 8.8545 8.8545 8.9657 8.9657 9.6280 9.6280 9.6787 9.6787 10.0251 10.0251 10.2985 10.2985 10.7452 10.7452 10.8220 10.8220 10.8550 10.8550 11.3193 11.3193 11.3958 11.3958 11.4083 11.4083 11.4498 11.4498 11.4714 11.4714 11.5527 11.5527 11.6228 11.6228 k = 0.0123 0.0214-0.0000 ( 6873 PWs) bands (ev): -2.4419 -2.4419 -2.0703 -2.0703 -1.2114 -1.2114 -0.5779 -0.5779 4.5414 4.5414 5.8875 5.8875 5.9330 5.9330 5.9499 5.9499 6.0888 6.0888 6.1285 6.1285 6.8938 6.8938 7.5773 7.5773 7.6664 7.6664 8.2479 8.2479 8.2905 8.2905 8.3195 8.3195 8.3752 8.3752 8.4745 8.4745 8.8603 8.8603 8.9721 8.9721 9.6523 9.6523 9.6807 9.6807 10.0275 10.0275 10.3398 10.3398 10.8112 10.8112 10.8451 10.8451 10.9191 10.9191 11.2946 11.2946 11.3495 11.3495 11.3906 11.3906 11.3959 11.3959 11.4425 11.4425 11.5402 11.5402 11.5968 11.5968 k = 0.0062 0.0107-0.0000 ( 6867 PWs) bands (ev): -2.4457 -2.4457 -2.0731 -2.0731 -1.2138 -1.2138 -0.5779 -0.5779 4.5365 4.5365 5.8877 5.8877 5.9330 5.9330 5.9581 5.9581 6.0848 6.0848 6.1254 6.1254 6.9137 6.9137 7.5683 7.5683 7.6563 7.6563 8.2582 8.2582 8.2922 8.2922 8.3239 8.3239 8.3764 8.3764 8.4689 8.4689 8.8638 8.8638 8.9760 8.9760 9.6650 9.6650 9.6844 9.6844 10.0289 10.0289 10.3671 10.3671 10.8247 10.8247 10.8909 10.8909 10.9793 10.9793 11.2770 11.2770 11.3053 11.3053 11.3342 11.3342 11.3840 11.3840 11.4308 11.4308 11.5343 11.5343 11.5877 11.5877 k = 0.0000 0.0000 0.0000 ( 6853 PWs) bands (ev): -2.4469 -2.4469 -2.0740 -2.0740 -1.2147 -1.2147 -0.5779 -0.5779 4.5348 4.5348 5.8878 5.8878 5.9330 5.9330 5.9609 5.9609 6.0833 6.0833 6.1243 6.1243 6.9206 6.9206 7.5649 7.5649 7.6531 7.6531 8.2614 8.2614 8.2928 8.2928 8.3258 8.3258 8.3768 8.3768 8.4668 8.4668 8.8650 8.8650 8.9772 8.9772 9.6681 9.6681 9.6869 9.6869 10.0294 10.0294 10.3768 10.3768 10.8259 10.8259 10.9129 10.9129 11.0050 11.0050 11.2666 11.2666 11.2996 11.2996 11.3000 11.3000 11.3806 11.3806 11.4260 11.4260 11.5331 11.5331 11.5856 11.5856 k = 0.0000 0.0000 0.0000 ( 6853 PWs) bands (ev): -2.4469 -2.4469 -2.0740 -2.0740 -1.2147 -1.2147 -0.5779 -0.5779 4.5348 4.5348 5.8878 5.8878 5.9330 5.9330 5.9609 5.9609 6.0833 6.0833 6.1243 6.1243 6.9206 6.9206 7.5649 7.5649 7.6531 7.6531 8.2614 8.2614 8.2928 8.2928 8.3258 8.3258 8.3768 8.3768 8.4668 8.4668 8.8650 8.8650 8.9772 8.9772 9.6681 9.6681 9.6869 9.6869 10.0294 10.0294 10.3768 10.3768 10.8259 10.8259 10.9129 10.9129 11.0050 11.0050 11.2666 11.2666 11.2996 11.2996 11.3000 11.3000 11.3806 11.3806 11.4260 11.4260 11.5331 11.5331 11.5856 11.5856 k = 0.0000 0.0000 0.0117 ( 6847 PWs) bands (ev): -2.4460 -2.4460 -2.0762 -2.0762 -1.2116 -1.2116 -0.5799 -0.5799 4.5383 4.5383 5.8884 5.8884 5.9336 5.9336 5.9479 5.9479 6.0833 6.0833 6.1235 6.1235 6.9333 6.9333 7.5669 7.5669 7.6549 7.6549 8.2450 8.2450 8.3064 8.3064 8.3108 8.3108 8.3911 8.3911 8.4655 8.4655 8.8631 8.8631 8.9747 8.9747 9.6722 9.6722 9.6903 9.6903 10.0298 10.0298 10.3733 10.3733 10.8266 10.8266 10.9008 10.9008 10.9871 10.9871 11.2671 11.2671 11.2919 11.2919 11.3040 11.3040 11.3942 11.3942 11.4333 11.4333 11.5394 11.5394 11.5896 11.5896 k = 0.0000 0.0000 0.0235 ( 6841 PWs) bands (ev): -2.4431 -2.4431 -2.0828 -2.0828 -1.2024 -1.2024 -0.5860 -0.5860 4.5486 4.5486 5.8902 5.8902 5.9114 5.9114 5.9354 5.9354 6.0824 6.0824 6.1209 6.1209 6.9696 6.9696 7.5727 7.5727 7.6604 7.6604 8.2172 8.2172 8.2830 8.2830 8.3248 8.3248 8.4170 8.4170 8.4624 8.4624 8.8574 8.8574 8.9671 8.9671 9.6843 9.6843 9.7005 9.7005 10.0309 10.0309 10.3630 10.3630 10.8249 10.8249 10.8717 10.8717 10.9410 10.9410 11.2688 11.2688 11.2784 11.2784 11.3067 11.3067 11.4241 11.4241 11.4472 11.4472 11.5629 11.5629 11.6050 11.6050 k = 0.0000 0.0000 0.0352 ( 6847 PWs) bands (ev): -2.4384 -2.4384 -2.0933 -2.0933 -1.1876 -1.1876 -0.5960 -0.5960 4.5659 4.5659 5.8571 5.8571 5.8933 5.8933 5.9383 5.9383 6.0796 6.0796 6.1168 6.1168 7.0250 7.0250 7.5824 7.5824 7.6694 7.6694 8.1866 8.1866 8.2520 8.2520 8.3368 8.3368 8.4448 8.4448 8.4605 8.4605 8.8482 8.8482 8.9550 8.9550 9.7040 9.7040 9.7173 9.7173 10.0327 10.0327 10.3469 10.3469 10.7968 10.7968 10.8564 10.8564 10.8791 10.8791 11.2596 11.2596 11.2714 11.2714 11.3093 11.3093 11.4501 11.4501 11.4550 11.4550 11.6089 11.6089 11.6397 11.6397 k = 0.0000 0.0000 0.0469 ( 6841 PWs) bands (ev): -2.4318 -2.4318 -2.1073 -2.1073 -1.1677 -1.1677 -0.6098 -0.6098 4.5898 4.5898 5.7904 5.7904 5.8975 5.8975 5.9423 5.9423 6.0747 6.0747 6.1111 6.1111 7.0943 7.0943 7.5957 7.5957 7.6819 7.6819 8.1544 8.1544 8.2197 8.2197 8.3366 8.3366 8.4641 8.4641 8.4729 8.4729 8.8358 8.8358 8.9390 8.9390 9.7305 9.7305 9.7402 9.7402 10.0354 10.0354 10.3262 10.3262 10.7409 10.7409 10.8097 10.8097 10.8622 10.8622 11.2365 11.2365 11.2752 11.2752 11.3123 11.3123 11.4550 11.4550 11.4615 11.4615 11.6731 11.6731 11.6969 11.6969 k = 0.0000 0.0000 0.0587 ( 6847 PWs) bands (ev): -2.4234 -2.4234 -2.1242 -2.1242 -1.1433 -1.1433 -0.6273 -0.6273 4.6203 4.6203 5.7154 5.7154 5.9029 5.9029 5.9474 5.9474 6.0680 6.0680 6.1041 6.1041 7.1731 7.1731 7.6125 7.6125 7.6976 7.6976 8.1209 8.1209 8.1864 8.1864 8.3218 8.3218 8.4754 8.4754 8.5009 8.5009 8.8208 8.8208 8.9200 8.9200 9.7631 9.7631 9.7687 9.7687 10.0389 10.0389 10.3022 10.3022 10.6764 10.6764 10.7369 10.7369 10.8732 10.8732 11.2107 11.2107 11.2800 11.2800 11.3159 11.3159 11.4501 11.4501 11.4609 11.4609 11.7485 11.7485 11.7699 11.7699 k = 0.0000 0.0000 0.0704 ( 6841 PWs) bands (ev): -2.4132 -2.4132 -2.1433 -2.1433 -1.1151 -1.1151 -0.6482 -0.6482 4.6570 4.6570 5.6354 5.6354 5.9094 5.9094 5.9536 5.9536 6.0596 6.0596 6.0958 6.0958 7.2582 7.2582 7.6326 7.6326 7.7164 7.7164 8.0865 8.0865 8.1525 8.1525 8.2941 8.2941 8.4926 8.4926 8.5286 8.5286 8.8036 8.8036 8.8984 8.8984 9.8010 9.8010 9.8023 9.8023 10.0433 10.0433 10.2764 10.2764 10.6087 10.6087 10.6630 10.6630 10.8864 10.8864 11.1834 11.1834 11.2859 11.2859 11.3202 11.3202 11.4425 11.4425 11.4533 11.4533 11.8308 11.8308 11.8520 11.8520 k = 0.0000 0.0000 0.0822 ( 6853 PWs) bands (ev): -2.4012 -2.4012 -2.1641 -2.1641 -1.0839 -1.0839 -0.6723 -0.6723 4.6999 4.6999 5.5525 5.5525 5.9169 5.9169 5.9607 5.9607 6.0500 6.0500 6.0865 6.0865 7.3468 7.3468 7.6556 7.6556 7.7379 7.7379 8.0513 8.0513 8.1181 8.1181 8.2562 8.2562 8.5130 8.5130 8.5561 8.5561 8.7846 8.7846 8.8751 8.8751 9.8406 9.8406 9.8436 9.8436 10.0489 10.0489 10.2497 10.2497 10.5399 10.5399 10.5890 10.5890 10.9008 10.9008 11.1556 11.1556 11.2929 11.2929 11.3252 11.3252 11.4333 11.4333 11.4419 11.4419 11.9173 11.9173 11.9393 11.9393 k = 0.0000 0.0000 0.0939 ( 6858 PWs) bands (ev): -2.3876 -2.3876 -2.1860 -2.1860 -1.0502 -1.0502 -0.6993 -0.6993 4.7485 4.7485 5.4686 5.4686 5.9254 5.9254 5.9688 5.9688 6.0393 6.0393 6.0764 6.0764 7.4372 7.4372 7.6814 7.6814 7.7620 7.7620 8.0155 8.0155 8.0834 8.0834 8.2097 8.2097 8.5351 8.5351 8.5835 8.5835 8.7642 8.7642 8.8505 8.8505 9.8831 9.8831 9.8904 9.8904 10.0558 10.0558 10.2232 10.2232 10.4711 10.4711 10.5158 10.5158 10.9161 10.9161 11.1280 11.1280 11.3009 11.3009 11.3310 11.3310 11.4231 11.4231 11.4286 11.4286 12.0067 12.0067 12.0296 12.0296 k = 0.0000 0.0000 0.1056 ( 6852 PWs) bands (ev): -2.3724 -2.3724 -2.2086 -2.2086 -1.0148 -1.0148 -0.7289 -0.7289 4.8026 4.8026 5.3846 5.3846 5.9348 5.9348 5.9777 5.9777 6.0279 6.0279 6.0656 6.0656 7.5279 7.5279 7.7097 7.7097 7.7884 7.7884 7.9792 7.9792 8.0484 8.0484 8.1557 8.1557 8.5580 8.5580 8.6107 8.6107 8.7429 8.7429 8.8250 8.8250 9.9294 9.9294 9.9409 9.9409 10.0640 10.0640 10.1977 10.1977 10.4031 10.4031 10.4438 10.4438 10.9323 10.9323 11.1013 11.1013 11.3100 11.3100 11.3376 11.3376 11.4125 11.4125 11.4141 11.4141 12.0979 12.0979 12.1217 12.1217 k = 0.0000 0.0000 0.1174 ( 6864 PWs) bands (ev): -2.3556 -2.3556 -2.2314 -2.2314 -0.9782 -0.9782 -0.7607 -0.7607 4.8618 4.8618 5.3017 5.3017 5.9450 5.9450 5.9874 5.9874 6.0160 6.0160 6.0543 6.0543 7.6173 7.6173 7.7404 7.7404 7.8168 7.8168 7.9428 7.9428 8.0135 8.0135 8.0950 8.0950 8.5812 8.5812 8.6377 8.6377 8.7208 8.7208 8.7989 8.7989 9.9792 9.9792 9.9947 9.9947 10.0740 10.0740 10.1737 10.1737 10.3364 10.3364 10.3733 10.3733 10.9493 10.9493 11.0756 11.0756 11.3202 11.3202 11.3448 11.3448 11.3993 11.3993 11.4017 11.4017 12.1901 12.1901 12.2147 12.2147 k = 0.0000 0.0000 0.1291 ( 6864 PWs) bands (ev): -2.3375 -2.3375 -2.2540 -2.2540 -0.9409 -0.9409 -0.7945 -0.7945 4.9257 4.9257 5.2206 5.2206 5.9560 5.9560 5.9977 5.9977 6.0038 6.0038 6.0428 6.0428 7.7039 7.7039 7.7740 7.7740 7.8469 7.8469 7.9062 7.9062 7.9789 7.9789 8.0282 8.0282 8.6047 8.6047 8.6648 8.6648 8.6981 8.6981 8.7724 8.7724 10.0319 10.0319 10.0516 10.0516 10.0857 10.0857 10.1516 10.1516 10.2713 10.2713 10.3046 10.3046 10.9673 10.9673 11.0513 11.0513 11.3313 11.3313 11.3528 11.3528 11.3846 11.3846 11.3911 11.3911 12.2828 12.2828 12.3080 12.3080 k = 0.0000 0.0000 0.1408 ( 6888 PWs) bands (ev): -2.3181 -2.3181 -2.2762 -2.2762 -0.9034 -0.9034 -0.8298 -0.8298 4.9940 4.9940 5.1419 5.1419 5.9674 5.9674 5.9915 5.9915 6.0085 6.0085 6.0312 6.0312 7.7814 7.7814 7.8152 7.8152 7.8695 7.8695 7.8784 7.8784 7.9446 7.9446 7.9564 7.9564 8.6282 8.6282 8.6750 8.6750 8.6918 8.6918 8.7456 8.7456 10.0860 10.0860 10.1010 10.1010 10.1112 10.1112 10.1315 10.1315 10.2083 10.2083 10.2379 10.2379 10.9864 10.9864 11.0283 11.0283 11.3434 11.3434 11.3615 11.3615 11.3702 11.3702 11.3807 11.3807 12.3750 12.3750 12.4012 12.4012 k = 0.0000 0.0000 0.1526 ( 6894 PWs) bands (ev): -2.2976 -2.2976 -2.2976 -2.2976 -0.8662 -0.8662 -0.8662 -0.8662 5.0662 5.0662 5.0662 5.0662 5.9793 5.9793 5.9793 5.9793 6.0197 6.0197 6.0197 6.0197 7.8315 7.8315 7.8315 7.8315 7.8815 7.8815 7.8815 7.8815 7.9110 7.9110 7.9110 7.9110 8.6516 8.6516 8.6516 8.6516 8.7187 8.7187 8.7187 8.7187 10.1133 10.1133 10.1133 10.1133 10.1478 10.1478 10.1478 10.1478 10.1733 10.1733 10.1733 10.1733 11.0067 11.0067 11.0067 11.0067 11.3564 11.3564 11.3564 11.3564 11.3708 11.3708 11.3708 11.3708 12.4627 12.4627 12.4627 12.4627 k = 0.0000 0.0000 0.1526 ( 6894 PWs) bands (ev): -2.2976 -2.2976 -2.2976 -2.2976 -0.8662 -0.8662 -0.8662 -0.8662 5.0662 5.0662 5.0662 5.0662 5.9793 5.9793 5.9793 5.9793 6.0197 6.0197 6.0197 6.0197 7.8315 7.8315 7.8315 7.8315 7.8815 7.8815 7.8815 7.8815 7.9110 7.9110 7.9110 7.9110 8.6516 8.6516 8.6516 8.6516 8.7187 8.7187 8.7187 8.7187 10.1133 10.1133 10.1133 10.1133 10.1478 10.1478 10.1478 10.1478 10.1733 10.1733 10.1733 10.1733 11.0067 11.0067 11.0067 11.0067 11.3564 11.3564 11.3564 11.3564 11.3708 11.3708 11.3708 11.3708 12.4627 12.4627 12.4627 12.4627 k = 0.0106 0.0061 0.1526 ( 6884 PWs) bands (ev): -2.2965 -2.2965 -2.2965 -2.2965 -0.8659 -0.8659 -0.8659 -0.8659 5.0669 5.0669 5.0669 5.0669 5.9793 5.9793 5.9793 5.9793 6.0198 6.0198 6.0198 6.0198 7.8183 7.8183 7.8183 7.8183 7.8779 7.8779 7.8779 7.8779 7.9253 7.9253 7.9253 7.9253 8.6508 8.6508 8.6508 8.6508 8.7179 8.7179 8.7179 8.7179 10.1078 10.1078 10.1078 10.1078 10.1449 10.1449 10.1449 10.1449 10.1705 10.1705 10.1705 10.1705 11.0085 11.0085 11.0085 11.0085 11.3592 11.3592 11.3592 11.3592 11.3754 11.3754 11.3754 11.3754 12.4599 12.4599 12.4599 12.4599 k = 0.0213 0.0123 0.1526 ( 6892 PWs) bands (ev): -2.2930 -2.2930 -2.2930 -2.2930 -0.8647 -0.8647 -0.8647 -0.8647 5.0688 5.0688 5.0688 5.0688 5.9790 5.9790 5.9790 5.9790 6.0200 6.0200 6.0200 6.0200 7.7872 7.7872 7.7872 7.7872 7.8765 7.8765 7.8765 7.8765 7.9502 7.9502 7.9502 7.9502 8.6485 8.6485 8.6485 8.6485 8.7156 8.7156 8.7156 8.7156 10.0892 10.0892 10.0892 10.0892 10.1380 10.1380 10.1380 10.1380 10.1630 10.1630 10.1630 10.1630 11.0129 11.0129 11.0129 11.0129 11.3634 11.3634 11.3634 11.3634 11.3933 11.3933 11.3933 11.3933 12.4496 12.4496 12.4496 12.4496 k = 0.0319 0.0184 0.1526 ( 6884 PWs) bands (ev): -2.2874 -2.2874 -2.2874 -2.2874 -0.8628 -0.8628 -0.8628 -0.8628 5.0721 5.0721 5.0721 5.0721 5.9780 5.9780 5.9780 5.9780 6.0208 6.0208 6.0208 6.0208 7.7481 7.7481 7.7481 7.7481 7.8778 7.8778 7.8778 7.8778 7.9754 7.9754 7.9754 7.9754 8.6447 8.6447 8.6447 8.6447 8.7119 8.7119 8.7119 8.7119 10.0559 10.0559 10.0559 10.0559 10.1297 10.1297 10.1297 10.1297 10.1528 10.1528 10.1528 10.1528 11.0172 11.0172 11.0172 11.0172 11.3674 11.3674 11.3674 11.3674 11.4262 11.4262 11.4262 11.4262 12.4333 12.4333 12.4333 12.4333 k = 0.0426 0.0246 0.1526 ( 6892 PWs) bands (ev): -2.2794 -2.2794 -2.2794 -2.2794 -0.8601 -0.8601 -0.8601 -0.8601 5.0765 5.0765 5.0765 5.0765 5.9759 5.9759 5.9759 5.9759 6.0228 6.0228 6.0228 6.0228 7.7042 7.7042 7.7042 7.7042 7.8805 7.8805 7.8805 7.8805 7.9986 7.9986 7.9986 7.9986 8.6395 8.6395 8.6395 8.6395 8.7069 8.7069 8.7069 8.7069 10.0104 10.0104 10.0104 10.0104 10.1191 10.1191 10.1191 10.1191 10.1410 10.1410 10.1410 10.1410 11.0187 11.0187 11.0187 11.0187 11.3722 11.3722 11.3722 11.3722 11.4725 11.4725 11.4725 11.4725 12.4143 12.4143 12.4143 12.4143 k = 0.0532 0.0307 0.1526 ( 6894 PWs) bands (ev): -2.2692 -2.2692 -2.2692 -2.2692 -0.8567 -0.8567 -0.8567 -0.8567 5.0821 5.0821 5.0821 5.0821 5.9722 5.9722 5.9722 5.9722 6.0265 6.0265 6.0265 6.0265 7.6567 7.6567 7.6567 7.6567 7.8844 7.8844 7.8844 7.8844 8.0190 8.0190 8.0190 8.0190 8.6331 8.6331 8.6331 8.6331 8.7011 8.7011 8.7011 8.7011 9.9566 9.9566 9.9566 9.9566 10.1044 10.1044 10.1044 10.1044 10.1293 10.1293 10.1293 10.1293 11.0155 11.0155 11.0155 11.0155 11.3781 11.3781 11.3781 11.3781 11.5301 11.5301 11.5301 11.5301 12.3945 12.3945 12.3945 12.3945 k = 0.0638 0.0369 0.1526 ( 6896 PWs) bands (ev): -2.2569 -2.2569 -2.2569 -2.2569 -0.8525 -0.8525 -0.8525 -0.8525 5.0887 5.0887 5.0887 5.0887 5.9667 5.9667 5.9667 5.9667 6.0320 6.0320 6.0320 6.0320 7.6061 7.6061 7.6061 7.6061 7.8891 7.8891 7.8891 7.8891 8.0360 8.0360 8.0360 8.0360 8.6258 8.6258 8.6258 8.6258 8.6946 8.6946 8.6946 8.6946 9.8973 9.8973 9.8973 9.8973 10.0849 10.0849 10.0849 10.0849 10.1183 10.1183 10.1183 10.1183 11.0067 11.0067 11.0067 11.0067 11.3855 11.3855 11.3855 11.3855 11.5961 11.5961 11.5961 11.5961 12.3755 12.3755 12.3755 12.3755 k = 0.0745 0.0430 0.1526 ( 6900 PWs) bands (ev): -2.2423 -2.2423 -2.2423 -2.2423 -0.8477 -0.8477 -0.8477 -0.8477 5.0963 5.0963 5.0963 5.0963 5.9594 5.9594 5.9594 5.9594 6.0394 6.0394 6.0394 6.0394 7.5528 7.5528 7.5528 7.5528 7.8946 7.8946 7.8946 7.8946 8.0491 8.0491 8.0491 8.0491 8.6181 8.6181 8.6181 8.6181 8.6875 8.6875 8.6875 8.6875 9.8348 9.8348 9.8348 9.8348 10.0613 10.0613 10.0613 10.0613 10.1074 10.1074 10.1074 10.1074 10.9920 10.9920 10.9920 10.9920 11.3945 11.3945 11.3945 11.3945 11.6675 11.6675 11.6675 11.6675 12.3593 12.3593 12.3593 12.3593 k = 0.0851 0.0491 0.1526 ( 6890 PWs) bands (ev): -2.2255 -2.2255 -2.2255 -2.2255 -0.8421 -0.8421 -0.8421 -0.8421 5.1047 5.1047 5.1047 5.1047 5.9506 5.9506 5.9506 5.9506 6.0485 6.0485 6.0485 6.0485 7.4971 7.4971 7.4971 7.4971 7.9008 7.9008 7.9008 7.9008 8.0578 8.0578 8.0578 8.0578 8.6105 8.6105 8.6105 8.6105 8.6802 8.6802 8.6802 8.6802 9.7707 9.7707 9.7707 9.7707 10.0345 10.0345 10.0345 10.0345 10.0961 10.0961 10.0961 10.0961 10.9715 10.9715 10.9715 10.9715 11.4051 11.4051 11.4051 11.4051 11.7405 11.7405 11.7405 11.7405 12.3486 12.3486 12.3486 12.3486 k = 0.0957 0.0553 0.1526 ( 6890 PWs) bands (ev): -2.2067 -2.2067 -2.2067 -2.2067 -0.8359 -0.8359 -0.8359 -0.8359 5.1137 5.1137 5.1137 5.1137 5.9403 5.9403 5.9403 5.9403 6.0592 6.0592 6.0592 6.0592 7.4395 7.4395 7.4395 7.4395 7.9076 7.9076 7.9076 7.9076 8.0615 8.0615 8.0615 8.0615 8.6035 8.6035 8.6035 8.6035 8.6727 8.6727 8.6727 8.6727 9.7062 9.7062 9.7062 9.7062 10.0050 10.0050 10.0050 10.0050 10.0843 10.0843 10.0843 10.0843 10.9451 10.9451 10.9451 10.9451 11.4175 11.4175 11.4175 11.4175 11.8111 11.8111 11.8111 11.8111 12.3467 12.3467 12.3467 12.3467 k = 0.1064 0.0614 0.1526 ( 6890 PWs) bands (ev): -2.1858 -2.1858 -2.1858 -2.1858 -0.8290 -0.8290 -0.8290 -0.8290 5.1231 5.1231 5.1231 5.1231 5.9288 5.9288 5.9288 5.9288 6.0713 6.0713 6.0713 6.0713 7.3803 7.3803 7.3803 7.3803 7.9148 7.9148 7.9148 7.9148 8.0599 8.0599 8.0599 8.0599 8.5975 8.5975 8.5975 8.5975 8.6654 8.6654 8.6654 8.6654 9.6424 9.6424 9.6424 9.6424 9.9735 9.9735 9.9735 9.9735 10.0719 10.0719 10.0719 10.0719 10.9131 10.9131 10.9131 10.9131 11.4317 11.4317 11.4317 11.4317 11.8745 11.8745 11.8745 11.8745 12.3575 12.3575 12.3575 12.3575 k = 0.1170 0.0676 0.1526 ( 6894 PWs) bands (ev): -2.1629 -2.1629 -2.1629 -2.1629 -0.8214 -0.8214 -0.8214 -0.8214 5.1328 5.1328 5.1328 5.1328 5.9162 5.9162 5.9162 5.9162 6.0848 6.0848 6.0848 6.0848 7.3201 7.3201 7.3201 7.3201 7.9223 7.9223 7.9223 7.9223 8.0527 8.0527 8.0527 8.0527 8.5927 8.5927 8.5927 8.5927 8.6585 8.6585 8.6585 8.6585 9.5797 9.5797 9.5797 9.5797 9.9402 9.9402 9.9402 9.9402 10.0592 10.0592 10.0592 10.0592 10.8759 10.8759 10.8759 10.8759 11.4479 11.4479 11.4479 11.4479 11.9260 11.9260 11.9260 11.9260 12.3843 12.3843 12.3843 12.3843 k = 0.1277 0.0737 0.1526 ( 6882 PWs) bands (ev): -2.1380 -2.1380 -2.1380 -2.1380 -0.8133 -0.8133 -0.8133 -0.8133 5.1423 5.1423 5.1423 5.1423 5.9024 5.9024 5.9024 5.9024 6.0997 6.0997 6.0997 6.0997 7.2594 7.2594 7.2594 7.2594 7.9296 7.9296 7.9296 7.9296 8.0401 8.0401 8.0401 8.0401 8.5886 8.5886 8.5886 8.5886 8.6527 8.6527 8.6527 8.6527 9.5189 9.5189 9.5189 9.5189 9.9056 9.9056 9.9056 9.9056 10.0463 10.0463 10.0463 10.0463 10.8338 10.8338 10.8338 10.8338 11.4660 11.4660 11.4660 11.4660 11.9636 11.9636 11.9636 11.9636 12.4272 12.4272 12.4272 12.4272 k = 0.1383 0.0798 0.1526 ( 6890 PWs) bands (ev): -2.1113 -2.1113 -2.1113 -2.1113 -0.8046 -0.8046 -0.8046 -0.8046 5.1515 5.1515 5.1515 5.1515 5.8875 5.8875 5.8875 5.8875 6.1158 6.1158 6.1158 6.1158 7.1990 7.1990 7.1990 7.1990 7.9360 7.9360 7.9360 7.9360 8.0228 8.0228 8.0228 8.0228 8.5845 8.5845 8.5845 8.5845 8.6487 8.6487 8.6487 8.6487 9.4604 9.4604 9.4604 9.4604 9.8698 9.8698 9.8698 9.8698 10.0331 10.0331 10.0331 10.0331 10.7875 10.7875 10.7875 10.7875 11.4863 11.4863 11.4863 11.4863 11.9887 11.9887 11.9887 11.9887 12.4811 12.4811 12.4811 12.4811 k = 0.1489 0.0860 0.1526 ( 6900 PWs) bands (ev): -2.0827 -2.0827 -2.0827 -2.0827 -0.7953 -0.7953 -0.7953 -0.7953 5.1599 5.1599 5.1599 5.1599 5.8716 5.8716 5.8716 5.8716 6.1330 6.1330 6.1330 6.1330 7.1394 7.1394 7.1394 7.1394 7.9397 7.9397 7.9397 7.9397 8.0031 8.0031 8.0031 8.0031 8.5795 8.5795 8.5795 8.5795 8.6469 8.6469 8.6469 8.6469 9.4044 9.4044 9.4044 9.4044 9.8331 9.8331 9.8331 9.8331 10.0201 10.0201 10.0201 10.0201 10.7377 10.7377 10.7377 10.7377 11.5086 11.5086 11.5086 11.5086 12.0049 12.0049 12.0049 12.0049 12.5358 12.5358 12.5358 12.5358 k = 0.1596 0.0921 0.1526 ( 6894 PWs) bands (ev): -2.0524 -2.0524 -2.0524 -2.0524 -0.7856 -0.7856 -0.7856 -0.7856 5.1672 5.1672 5.1672 5.1672 5.8546 5.8546 5.8546 5.8546 6.1514 6.1514 6.1514 6.1514 7.0815 7.0815 7.0815 7.0815 7.9345 7.9345 7.9345 7.9345 7.9874 7.9874 7.9874 7.9874 8.5731 8.5731 8.5731 8.5731 8.6475 8.6475 8.6475 8.6475 9.3514 9.3514 9.3514 9.3514 9.7959 9.7959 9.7959 9.7959 10.0071 10.0071 10.0071 10.0071 10.6852 10.6852 10.6852 10.6852 11.5332 11.5332 11.5332 11.5332 12.0158 12.0158 12.0158 12.0158 12.5782 12.5782 12.5782 12.5782 k = 0.1702 0.0983 0.1526 ( 6898 PWs) bands (ev): -2.0205 -2.0205 -2.0205 -2.0205 -0.7753 -0.7753 -0.7753 -0.7753 5.1728 5.1728 5.1728 5.1728 5.8365 5.8365 5.8365 5.8365 6.1708 6.1708 6.1708 6.1708 7.0261 7.0261 7.0261 7.0261 7.9134 7.9134 7.9134 7.9134 7.9832 7.9832 7.9832 7.9832 8.5653 8.5653 8.5653 8.5653 8.6498 8.6498 8.6498 8.6498 9.3017 9.3017 9.3017 9.3017 9.7581 9.7581 9.7581 9.7581 9.9943 9.9943 9.9943 9.9943 10.6307 10.6307 10.6307 10.6307 11.5599 11.5599 11.5599 11.5599 12.0238 12.0238 12.0238 12.0238 12.5993 12.5993 12.5993 12.5993 k = 0.1809 0.1044 0.1526 ( 6886 PWs) bands (ev): -1.9870 -1.9870 -1.9870 -1.9870 -0.7646 -0.7646 -0.7646 -0.7646 5.1761 5.1761 5.1761 5.1761 5.8176 5.8176 5.8176 5.8176 6.1913 6.1913 6.1913 6.1913 6.9741 6.9741 6.9741 6.9741 7.8810 7.8810 7.8810 7.8810 7.9864 7.9864 7.9864 7.9864 8.5564 8.5564 8.5564 8.5564 8.6526 8.6526 8.6526 8.6526 9.2555 9.2555 9.2555 9.2555 9.7201 9.7201 9.7201 9.7201 9.9819 9.9819 9.9819 9.9819 10.5752 10.5752 10.5752 10.5752 11.5888 11.5888 11.5888 11.5888 12.0303 12.0303 12.0303 12.0303 12.6057 12.6057 12.6057 12.6057 k = 0.1915 0.1106 0.1526 ( 6890 PWs) bands (ev): -1.9520 -1.9520 -1.9520 -1.9520 -0.7534 -0.7534 -0.7534 -0.7534 5.1766 5.1766 5.1766 5.1766 5.7977 5.7977 5.7977 5.7977 6.2126 6.2126 6.2126 6.2126 6.9261 6.9261 6.9261 6.9261 7.8431 7.8431 7.8431 7.8431 7.9916 7.9916 7.9916 7.9916 8.5471 8.5471 8.5471 8.5471 8.6547 8.6547 8.6547 8.6547 9.2134 9.2134 9.2134 9.2134 9.6819 9.6819 9.6819 9.6819 9.9698 9.9698 9.9698 9.9698 10.5195 10.5195 10.5195 10.5195 11.6198 11.6198 11.6198 11.6198 12.0362 12.0362 12.0362 12.0362 12.6058 12.6058 12.6058 12.6058 k = 0.2021 0.1167 0.1526 ( 6884 PWs) bands (ev): -1.9158 -1.9158 -1.9158 -1.9158 -0.7419 -0.7419 -0.7419 -0.7419 5.1736 5.1736 5.1736 5.1736 5.7773 5.7773 5.7773 5.7773 6.2349 6.2349 6.2349 6.2349 6.8829 6.8829 6.8829 6.8829 7.8021 7.8021 7.8021 7.8021 7.9970 7.9970 7.9970 7.9970 8.5376 8.5376 8.5376 8.5376 8.6548 8.6548 8.6548 8.6548 9.1756 9.1756 9.1756 9.1756 9.6437 9.6437 9.6437 9.6437 9.9580 9.9580 9.9580 9.9580 10.4643 10.4643 10.4643 10.4643 11.6531 11.6531 11.6531 11.6531 12.0415 12.0415 12.0415 12.0415 12.6027 12.6027 12.6027 12.6027 k = 0.2128 0.1228 0.1526 ( 6870 PWs) bands (ev): -1.8783 -1.8783 -1.8783 -1.8783 -0.7300 -0.7300 -0.7300 -0.7300 5.1662 5.1662 5.1662 5.1662 5.7568 5.7568 5.7568 5.7568 6.2579 6.2579 6.2579 6.2579 6.8452 6.8452 6.8452 6.8452 7.7589 7.7589 7.7589 7.7589 8.0018 8.0018 8.0018 8.0018 8.5285 8.5285 8.5285 8.5285 8.6518 8.6518 8.6518 8.6518 9.1427 9.1427 9.1427 9.1427 9.6056 9.6056 9.6056 9.6056 9.9466 9.9466 9.9466 9.9466 10.4104 10.4104 10.4104 10.4104 11.6885 11.6885 11.6885 11.6885 12.0463 12.0463 12.0463 12.0463 12.5977 12.5977 12.5977 12.5977 k = 0.2234 0.1290 0.1526 ( 6870 PWs) bands (ev): -1.8398 -1.8398 -1.8398 -1.8398 -0.7177 -0.7177 -0.7177 -0.7177 5.1537 5.1537 5.1537 5.1537 5.7366 5.7366 5.7366 5.7366 6.2817 6.2817 6.2817 6.2817 6.8134 6.8134 6.8134 6.8134 7.7144 7.7144 7.7144 7.7144 8.0054 8.0054 8.0054 8.0054 8.5200 8.5200 8.5200 8.5200 8.6448 8.6448 8.6448 8.6448 9.1147 9.1147 9.1147 9.1147 9.5675 9.5675 9.5675 9.5675 9.9353 9.9353 9.9353 9.9353 10.3585 10.3585 10.3585 10.3585 11.7260 11.7260 11.7260 11.7260 12.0504 12.0504 12.0504 12.0504 12.5922 12.5922 12.5922 12.5922 k = 0.2340 0.1351 0.1526 ( 6858 PWs) bands (ev): -1.8003 -1.8003 -1.8003 -1.8003 -0.7052 -0.7052 -0.7052 -0.7052 5.1353 5.1353 5.1353 5.1353 5.7174 5.7174 5.7174 5.7174 6.3062 6.3062 6.3062 6.3062 6.7878 6.7878 6.7878 6.7878 7.6692 7.6692 7.6692 7.6692 8.0077 8.0077 8.0077 8.0077 8.5125 8.5125 8.5125 8.5125 8.6333 8.6333 8.6333 8.6333 9.0919 9.0919 9.0919 9.0919 9.5298 9.5298 9.5298 9.5298 9.9241 9.9241 9.9241 9.9241 10.3094 10.3094 10.3094 10.3094 11.7656 11.7656 11.7656 11.7656 12.0536 12.0536 12.0536 12.0536 12.5876 12.5876 12.5876 12.5876 k = 0.2447 0.1413 0.1526 ( 6862 PWs) bands (ev): -1.7600 -1.7600 -1.7600 -1.7600 -0.6923 -0.6923 -0.6923 -0.6923 5.1106 5.1106 5.1106 5.1106 5.7000 5.7000 5.7000 5.7000 6.3312 6.3312 6.3312 6.3312 6.7684 6.7684 6.7684 6.7684 7.6236 7.6236 7.6236 7.6236 8.0084 8.0084 8.0084 8.0084 8.5060 8.5060 8.5060 8.5060 8.6171 8.6171 8.6171 8.6171 9.0740 9.0740 9.0740 9.0740 9.4923 9.4923 9.4923 9.4923 9.9128 9.9128 9.9128 9.9128 10.2637 10.2637 10.2637 10.2637 11.8069 11.8069 11.8069 11.8069 12.0558 12.0558 12.0558 12.0558 12.5852 12.5852 12.5852 12.5852 k = 0.2553 0.1474 0.1526 ( 6846 PWs) bands (ev): -1.7192 -1.7192 -1.7192 -1.7192 -0.6792 -0.6792 -0.6792 -0.6792 5.0792 5.0792 5.0792 5.0792 5.6850 5.6850 5.6850 5.6850 6.3568 6.3568 6.3568 6.3568 6.7549 6.7549 6.7549 6.7549 7.5782 7.5782 7.5782 7.5782 8.0072 8.0072 8.0072 8.0072 8.5007 8.5007 8.5007 8.5007 8.5966 8.5966 8.5966 8.5966 9.0604 9.0604 9.0604 9.0604 9.4552 9.4552 9.4552 9.4552 9.9010 9.9010 9.9010 9.9010 10.2220 10.2220 10.2220 10.2220 11.8501 11.8501 11.8501 11.8501 12.0569 12.0569 12.0569 12.0569 12.5854 12.5854 12.5854 12.5854 k = 0.2660 0.1536 0.1526 ( 6844 PWs) bands (ev): -1.6779 -1.6779 -1.6779 -1.6779 -0.6658 -0.6658 -0.6658 -0.6658 5.0412 5.0412 5.0412 5.0412 5.6727 5.6727 5.6727 5.6727 6.3828 6.3828 6.3828 6.3828 6.7471 6.7471 6.7471 6.7471 7.5334 7.5334 7.5334 7.5334 8.0042 8.0042 8.0042 8.0042 8.4960 8.4960 8.4960 8.4960 8.5729 8.5729 8.5729 8.5729 9.0502 9.0502 9.0502 9.0502 9.4186 9.4186 9.4186 9.4186 9.8886 9.8886 9.8886 9.8886 10.1849 10.1849 10.1849 10.1849 11.8948 11.8948 11.8948 11.8948 12.0571 12.0571 12.0571 12.0571 12.5886 12.5886 12.5886 12.5886 k = 0.2766 0.1597 0.1526 ( 6842 PWs) bands (ev): -1.6364 -1.6364 -1.6364 -1.6364 -0.6522 -0.6522 -0.6522 -0.6522 4.9971 4.9971 4.9971 4.9971 5.6634 5.6634 5.6634 5.6634 6.4091 6.4091 6.4091 6.4091 6.7444 6.7444 6.7444 6.7444 7.4893 7.4893 7.4893 7.4893 7.9994 7.9994 7.9994 7.9994 8.4908 8.4908 8.4908 8.4908 8.5480 8.5480 8.5480 8.5480 9.0426 9.0426 9.0426 9.0426 9.3825 9.3825 9.3825 9.3825 9.8753 9.8753 9.8753 9.8753 10.1529 10.1529 10.1529 10.1529 11.9408 11.9408 11.9408 11.9408 12.0567 12.0567 12.0567 12.0567 12.5943 12.5943 12.5943 12.5943 k = 0.2872 0.1658 0.1526 ( 6848 PWs) bands (ev): -1.5949 -1.5949 -1.5949 -1.5949 -0.6384 -0.6384 -0.6384 -0.6384 4.9476 4.9476 4.9476 4.9476 5.6569 5.6569 5.6569 5.6569 6.4356 6.4356 6.4356 6.4356 6.7460 6.7460 6.7460 6.7460 7.4464 7.4464 7.4464 7.4464 7.9928 7.9928 7.9928 7.9928 8.4807 8.4807 8.4807 8.4807 8.5269 8.5269 8.5269 8.5269 9.0366 9.0366 9.0366 9.0366 9.3471 9.3471 9.3471 9.3471 9.8610 9.8610 9.8610 9.8610 10.1260 10.1260 10.1260 10.1260 11.9875 11.9875 11.9875 11.9875 12.0563 12.0563 12.0563 12.0563 12.6020 12.6020 12.6020 12.6020 k = 0.2979 0.1720 0.1526 ( 6840 PWs) bands (ev): -1.5536 -1.5536 -1.5536 -1.5536 -0.6245 -0.6245 -0.6245 -0.6245 4.8936 4.8936 4.8936 4.8936 5.6532 5.6532 5.6532 5.6532 6.4623 6.4623 6.4623 6.4623 6.7513 6.7513 6.7513 6.7513 7.4049 7.4049 7.4049 7.4049 7.9845 7.9845 7.9845 7.9845 8.4594 8.4594 8.4594 8.4594 8.5164 8.5164 8.5164 8.5164 9.0316 9.0316 9.0316 9.0316 9.3125 9.3125 9.3125 9.3125 9.8458 9.8458 9.8458 9.8458 10.1043 10.1043 10.1043 10.1043 12.0314 12.0314 12.0314 12.0314 12.0594 12.0594 12.0594 12.0594 12.6108 12.6108 12.6108 12.6108 k = 0.3085 0.1781 0.1526 ( 6846 PWs) bands (ev): -1.5126 -1.5126 -1.5126 -1.5126 -0.6103 -0.6103 -0.6103 -0.6103 4.8361 4.8361 4.8361 4.8361 5.6519 5.6519 5.6519 5.6519 6.4889 6.4889 6.4889 6.4889 6.7595 6.7595 6.7595 6.7595 7.3650 7.3650 7.3650 7.3650 7.9749 7.9749 7.9749 7.9749 8.4297 8.4297 8.4297 8.4297 8.5145 8.5145 8.5145 8.5145 9.0269 9.0269 9.0269 9.0269 9.2788 9.2788 9.2788 9.2788 9.8299 9.8299 9.8299 9.8299 10.0875 10.0875 10.0875 10.0875 12.0479 12.0479 12.0479 12.0479 12.0910 12.0910 12.0910 12.0910 12.6201 12.6201 12.6201 12.6201 k = 0.3191 0.1843 0.1526 ( 6846 PWs) bands (ev): -1.4723 -1.4723 -1.4723 -1.4723 -0.5960 -0.5960 -0.5960 -0.5960 4.7762 4.7762 4.7762 4.7762 5.6528 5.6528 5.6528 5.6528 6.5155 6.5155 6.5155 6.5155 6.7698 6.7698 6.7698 6.7698 7.3272 7.3272 7.3272 7.3272 7.9640 7.9640 7.9640 7.9640 8.3967 8.3967 8.3967 8.3967 8.5164 8.5164 8.5164 8.5164 9.0222 9.0222 9.0222 9.0222 9.2461 9.2461 9.2461 9.2461 9.8139 9.8139 9.8139 9.8139 10.0749 10.0749 10.0749 10.0749 12.0492 12.0492 12.0492 12.0492 12.1385 12.1385 12.1385 12.1385 12.6296 12.6296 12.6296 12.6296 k = 0.3298 0.1904 0.1526 ( 6838 PWs) bands (ev): -1.4329 -1.4329 -1.4329 -1.4329 -0.5817 -0.5817 -0.5817 -0.5817 4.7147 4.7147 4.7147 4.7147 5.6555 5.6555 5.6555 5.6555 6.5418 6.5418 6.5418 6.5418 6.7814 6.7814 6.7814 6.7814 7.2915 7.2915 7.2915 7.2915 7.9522 7.9522 7.9522 7.9522 8.3626 8.3626 8.3626 8.3626 8.5200 8.5200 8.5200 8.5200 9.0172 9.0172 9.0172 9.0172 9.2147 9.2147 9.2147 9.2147 9.7981 9.7981 9.7981 9.7981 10.0659 10.0659 10.0659 10.0659 12.0501 12.0501 12.0501 12.0501 12.1874 12.1874 12.1874 12.1874 12.6398 12.6398 12.6398 12.6398 k = 0.3404 0.1965 0.1526 ( 6844 PWs) bands (ev): -1.3946 -1.3946 -1.3946 -1.3946 -0.5672 -0.5672 -0.5672 -0.5672 4.6525 4.6525 4.6525 4.6525 5.6598 5.6598 5.6598 5.6598 6.5678 6.5678 6.5678 6.5678 6.7936 6.7936 6.7936 6.7936 7.2582 7.2582 7.2582 7.2582 7.9397 7.9397 7.9397 7.9397 8.3286 8.3286 8.3286 8.3286 8.5247 8.5247 8.5247 8.5247 9.0117 9.0117 9.0117 9.0117 9.1846 9.1846 9.1846 9.1846 9.7830 9.7830 9.7830 9.7830 10.0597 10.0597 10.0597 10.0597 12.0518 12.0518 12.0518 12.0518 12.2361 12.2361 12.2361 12.2361 12.6509 12.6509 12.6509 12.6509 k = 0.3511 0.2027 0.1526 ( 6850 PWs) bands (ev): -1.3577 -1.3577 -1.3577 -1.3577 -0.5527 -0.5527 -0.5527 -0.5527 4.5906 4.5906 4.5906 4.5906 5.6655 5.6655 5.6655 5.6655 6.5932 6.5932 6.5932 6.5932 6.8056 6.8056 6.8056 6.8056 7.2276 7.2276 7.2276 7.2276 7.9268 7.9268 7.9268 7.9268 8.2953 8.2953 8.2953 8.2953 8.5298 8.5298 8.5298 8.5298 9.0056 9.0056 9.0056 9.0056 9.1561 9.1561 9.1561 9.1561 9.7690 9.7690 9.7690 9.7690 10.0559 10.0559 10.0559 10.0559 12.0546 12.0546 12.0546 12.0546 12.2838 12.2838 12.2838 12.2838 12.6633 12.6633 12.6633 12.6633 k = 0.3617 0.2088 0.1526 ( 6854 PWs) bands (ev): -1.3223 -1.3223 -1.3223 -1.3223 -0.5383 -0.5383 -0.5383 -0.5383 4.5296 4.5296 4.5296 4.5296 5.6723 5.6723 5.6723 5.6723 6.6180 6.6180 6.6180 6.6180 6.8168 6.8168 6.8168 6.8168 7.1998 7.1998 7.1998 7.1998 7.9137 7.9137 7.9137 7.9137 8.2632 8.2632 8.2632 8.2632 8.5351 8.5351 8.5351 8.5351 8.9989 8.9989 8.9989 8.9989 9.1295 9.1295 9.1295 9.1295 9.7562 9.7562 9.7562 9.7562 10.0537 10.0537 10.0537 10.0537 12.0585 12.0585 12.0585 12.0585 12.3300 12.3300 12.3300 12.3300 12.6771 12.6771 12.6771 12.6771 k = 0.3723 0.2150 0.1526 ( 6854 PWs) bands (ev): -1.2888 -1.2888 -1.2888 -1.2888 -0.5240 -0.5240 -0.5240 -0.5240 4.4702 4.4702 4.4702 4.4702 5.6799 5.6799 5.6799 5.6799 6.6418 6.6418 6.6418 6.6418 6.8266 6.8266 6.8266 6.8266 7.1751 7.1751 7.1751 7.1751 7.9006 7.9006 7.9006 7.9006 8.2329 8.2329 8.2329 8.2329 8.5403 8.5403 8.5403 8.5403 8.9917 8.9917 8.9917 8.9917 9.1048 9.1048 9.1048 9.1048 9.7448 9.7448 9.7448 9.7448 10.0528 10.0528 10.0528 10.0528 12.0637 12.0637 12.0637 12.0637 12.3740 12.3740 12.3740 12.3740 12.6926 12.6926 12.6926 12.6926 k = 0.3830 0.2211 0.1526 ( 6858 PWs) bands (ev): -1.2573 -1.2573 -1.2573 -1.2573 -0.5099 -0.5099 -0.5099 -0.5099 4.4131 4.4131 4.4131 4.4131 5.6882 5.6882 5.6882 5.6882 6.6645 6.6645 6.6645 6.6645 6.8347 6.8347 6.8347 6.8347 7.1535 7.1535 7.1535 7.1535 7.8878 7.8878 7.8878 7.8878 8.2046 8.2046 8.2046 8.2046 8.5453 8.5453 8.5453 8.5453 8.9839 8.9839 8.9839 8.9839 9.0825 9.0825 9.0825 9.0825 9.7349 9.7349 9.7349 9.7349 10.0529 10.0529 10.0529 10.0529 12.0699 12.0699 12.0699 12.0699 12.4151 12.4151 12.4151 12.4151 12.7099 12.7099 12.7099 12.7099 k = 0.3936 0.2273 0.1526 ( 6846 PWs) bands (ev): -1.2280 -1.2280 -1.2280 -1.2280 -0.4962 -0.4962 -0.4962 -0.4962 4.3588 4.3588 4.3588 4.3588 5.6970 5.6970 5.6970 5.6970 6.6858 6.6858 6.6858 6.6858 6.8407 6.8407 6.8407 6.8407 7.1352 7.1352 7.1352 7.1352 7.8753 7.8753 7.8753 7.8753 8.1786 8.1786 8.1786 8.1786 8.5498 8.5498 8.5498 8.5498 8.9756 8.9756 8.9756 8.9756 9.0626 9.0626 9.0626 9.0626 9.7263 9.7263 9.7263 9.7263 10.0535 10.0535 10.0535 10.0535 12.0769 12.0769 12.0769 12.0769 12.4528 12.4528 12.4528 12.4528 12.7289 12.7289 12.7289 12.7289 k = 0.4043 0.2334 0.1526 ( 6846 PWs) bands (ev): -1.2012 -1.2012 -1.2012 -1.2012 -0.4829 -0.4829 -0.4829 -0.4829 4.3080 4.3080 4.3080 4.3080 5.7059 5.7059 5.7059 5.7059 6.7056 6.7056 6.7056 6.7056 6.8448 6.8448 6.8448 6.8448 7.1198 7.1198 7.1198 7.1198 7.8635 7.8635 7.8635 7.8635 8.1552 8.1552 8.1552 8.1552 8.5538 8.5538 8.5538 8.5538 8.9668 8.9668 8.9668 8.9668 9.0454 9.0454 9.0454 9.0454 9.7191 9.7191 9.7191 9.7191 10.0546 10.0546 10.0546 10.0546 12.0845 12.0845 12.0845 12.0845 12.4866 12.4866 12.4866 12.4866 12.7495 12.7495 12.7495 12.7495 k = 0.4149 0.2395 0.1526 ( 6848 PWs) bands (ev): -1.1769 -1.1769 -1.1769 -1.1769 -0.4703 -0.4703 -0.4703 -0.4703 4.2610 4.2610 4.2610 4.2610 5.7148 5.7148 5.7148 5.7148 6.7234 6.7234 6.7234 6.7234 6.8471 6.8471 6.8471 6.8471 7.1072 7.1072 7.1072 7.1072 7.8524 7.8524 7.8524 7.8524 8.1345 8.1345 8.1345 8.1345 8.5571 8.5571 8.5571 8.5571 8.9578 8.9578 8.9578 8.9578 9.0309 9.0309 9.0309 9.0309 9.7132 9.7132 9.7132 9.7132 10.0559 10.0559 10.0559 10.0559 12.0924 12.0924 12.0924 12.0924 12.5162 12.5162 12.5162 12.5162 12.7712 12.7712 12.7712 12.7712 k = 0.4255 0.2457 0.1526 ( 6856 PWs) bands (ev): -1.1552 -1.1552 -1.1552 -1.1552 -0.4586 -0.4586 -0.4586 -0.4586 4.2184 4.2184 4.2184 4.2184 5.7234 5.7234 5.7234 5.7234 6.7390 6.7390 6.7390 6.7390 6.8482 6.8482 6.8482 6.8482 7.0971 7.0971 7.0971 7.0971 7.8422 7.8422 7.8422 7.8422 8.1166 8.1166 8.1166 8.1166 8.5597 8.5597 8.5597 8.5597 8.9489 8.9489 8.9489 8.9489 9.0189 9.0189 9.0189 9.0189 9.7083 9.7083 9.7083 9.7083 10.0572 10.0572 10.0572 10.0572 12.1002 12.1002 12.1002 12.1002 12.5416 12.5416 12.5416 12.5416 12.7934 12.7934 12.7934 12.7934 k = 0.4362 0.2518 0.1526 ( 6850 PWs) bands (ev): -1.1363 -1.1363 -1.1363 -1.1363 -0.4478 -0.4478 -0.4478 -0.4478 4.1806 4.1806 4.1806 4.1806 5.7315 5.7315 5.7315 5.7315 6.7522 6.7522 6.7522 6.7522 6.8487 6.8487 6.8487 6.8487 7.0890 7.0890 7.0890 7.0890 7.8331 7.8331 7.8331 7.8331 8.1014 8.1014 8.1014 8.1014 8.5618 8.5618 8.5618 8.5618 8.9404 8.9404 8.9404 8.9404 9.0092 9.0092 9.0092 9.0092 9.7045 9.7045 9.7045 9.7045 10.0586 10.0586 10.0586 10.0586 12.1077 12.1077 12.1077 12.1077 12.5629 12.5629 12.5629 12.5629 12.8153 12.8153 12.8153 12.8153 k = 0.4468 0.2580 0.1526 ( 6864 PWs) bands (ev): -1.1203 -1.1203 -1.1203 -1.1203 -0.4383 -0.4383 -0.4383 -0.4383 4.1479 4.1479 4.1479 4.1479 5.7389 5.7389 5.7389 5.7389 6.7626 6.7626 6.7626 6.7626 6.8492 6.8492 6.8492 6.8492 7.0827 7.0827 7.0827 7.0827 7.8251 7.8251 7.8251 7.8251 8.0889 8.0889 8.0889 8.0889 8.5632 8.5632 8.5632 8.5632 8.9326 8.9326 8.9326 8.9326 9.0015 9.0015 9.0015 9.0015 9.7015 9.7015 9.7015 9.7015 10.0598 10.0598 10.0598 10.0598 12.1145 12.1145 12.1145 12.1145 12.5804 12.5804 12.5804 12.5804 12.8359 12.8359 12.8359 12.8359 k = 0.4574 0.2641 0.1526 ( 6868 PWs) bands (ev): -1.1071 -1.1071 -1.1071 -1.1071 -0.4302 -0.4302 -0.4302 -0.4302 4.1208 4.1208 4.1208 4.1208 5.7452 5.7452 5.7452 5.7452 6.7702 6.7702 6.7702 6.7702 6.8500 6.8500 6.8500 6.8500 7.0777 7.0777 7.0777 7.0777 7.8184 7.8184 7.8184 7.8184 8.0790 8.0790 8.0790 8.0790 8.5642 8.5642 8.5642 8.5642 8.9260 8.9260 8.9260 8.9260 8.9955 8.9955 8.9955 8.9955 9.6992 9.6992 9.6992 9.6992 10.0609 10.0609 10.0609 10.0609 12.1204 12.1204 12.1204 12.1204 12.5944 12.5944 12.5944 12.5944 12.8543 12.8543 12.8543 12.8543 k = 0.4681 0.2702 0.1526 ( 6872 PWs) bands (ev): -1.0968 -1.0968 -1.0968 -1.0968 -0.4237 -0.4237 -0.4237 -0.4237 4.0993 4.0993 4.0993 4.0993 5.7504 5.7504 5.7504 5.7504 6.7752 6.7752 6.7752 6.7752 6.8511 6.8511 6.8511 6.8511 7.0740 7.0740 7.0740 7.0740 7.8131 7.8131 7.8131 7.8131 8.0714 8.0714 8.0714 8.0714 8.5648 8.5648 8.5648 8.5648 8.9206 8.9206 8.9206 8.9206 8.9911 8.9911 8.9911 8.9911 9.6976 9.6976 9.6976 9.6976 10.0618 10.0618 10.0618 10.0618 12.1252 12.1252 12.1252 12.1252 12.6050 12.6050 12.6050 12.6050 12.8695 12.8695 12.8695 12.8695 k = 0.4787 0.2764 0.1526 ( 6860 PWs) bands (ev): -1.0895 -1.0895 -1.0895 -1.0895 -0.4189 -0.4189 -0.4189 -0.4189 4.0838 4.0838 4.0838 4.0838 5.7542 5.7542 5.7542 5.7542 6.7783 6.7783 6.7783 6.7783 6.8524 6.8524 6.8524 6.8524 7.0714 7.0714 7.0714 7.0714 7.8092 7.8092 7.8092 7.8092 8.0662 8.0662 8.0662 8.0662 8.5652 8.5652 8.5652 8.5652 8.9167 8.9167 8.9167 8.9167 8.9880 8.9880 8.9880 8.9880 9.6965 9.6965 9.6965 9.6965 10.0624 10.0624 10.0624 10.0624 12.1288 12.1288 12.1288 12.1288 12.6124 12.6124 12.6124 12.6124 12.8810 12.8810 12.8810 12.8810 k = 0.4894 0.2825 0.1526 ( 6848 PWs) bands (ev): -1.0851 -1.0851 -1.0851 -1.0851 -0.4160 -0.4160 -0.4160 -0.4160 4.0745 4.0745 4.0745 4.0745 5.7566 5.7566 5.7566 5.7566 6.7798 6.7798 6.7798 6.7798 6.8534 6.8534 6.8534 6.8534 7.0698 7.0698 7.0698 7.0698 7.8069 7.8069 7.8069 7.8069 8.0631 8.0631 8.0631 8.0631 8.5654 8.5654 8.5654 8.5654 8.9144 8.9144 8.9144 8.9144 8.9862 8.9862 8.9862 8.9862 9.6959 9.6959 9.6959 9.6959 10.0629 10.0629 10.0629 10.0629 12.1309 12.1309 12.1309 12.1309 12.6169 12.6169 12.6169 12.6169 12.8881 12.8881 12.8881 12.8881 k = 0.5000 0.2887 0.1526 ( 6856 PWs) bands (ev): -1.0836 -1.0836 -1.0836 -1.0836 -0.4151 -0.4151 -0.4151 -0.4151 4.0714 4.0714 4.0714 4.0714 5.7574 5.7574 5.7574 5.7574 6.7803 6.7803 6.7803 6.7803 6.8538 6.8538 6.8538 6.8538 7.0693 7.0693 7.0693 7.0693 7.8061 7.8061 7.8061 7.8061 8.0620 8.0620 8.0620 8.0620 8.5654 8.5654 8.5654 8.5654 8.9136 8.9136 8.9136 8.9136 8.9856 8.9856 8.9856 8.9856 9.6957 9.6957 9.6957 9.6957 10.0630 10.0630 10.0630 10.0630 12.1317 12.1317 12.1317 12.1317 12.6183 12.6183 12.6183 12.6183 12.8905 12.8905 12.8905 12.8905 k = 0.5000 0.2887 0.1526 ( 6856 PWs) bands (ev): -1.0836 -1.0836 -1.0836 -1.0836 -0.4151 -0.4151 -0.4151 -0.4151 4.0714 4.0714 4.0714 4.0714 5.7574 5.7574 5.7574 5.7574 6.7803 6.7803 6.7803 6.7803 6.8538 6.8538 6.8538 6.8538 7.0693 7.0693 7.0693 7.0693 7.8061 7.8061 7.8061 7.8061 8.0620 8.0620 8.0620 8.0620 8.5654 8.5654 8.5654 8.5654 8.9136 8.9136 8.9136 8.9136 8.9856 8.9856 8.9856 8.9856 9.6957 9.6957 9.6957 9.6957 10.0630 10.0630 10.0630 10.0630 12.1317 12.1317 12.1317 12.1317 12.6183 12.6183 12.6183 12.6183 12.8905 12.8905 12.8905 12.8905 k = 0.4938 0.2994 0.1526 ( 6856 PWs) bands (ev): -1.0833 -1.0833 -1.0830 -1.0830 -0.4149 -0.4149 -0.4148 -0.4148 4.0720 4.0720 4.0733 4.0733 5.7569 5.7569 5.7581 5.7581 6.7696 6.7696 6.7797 6.7797 6.8526 6.8526 6.8624 6.8624 7.0677 7.0677 7.0697 7.0697 7.7914 7.7914 7.8074 7.8074 8.0486 8.0486 8.0806 8.0806 8.5647 8.5647 8.5669 8.5669 8.9010 8.9010 8.9266 8.9266 8.9823 8.9823 8.9910 8.9910 9.6939 9.6939 9.6987 9.6987 10.0642 10.0642 10.0649 10.0649 12.1304 12.1304 12.1312 12.1312 12.6135 12.6135 12.6207 12.6207 12.8913 12.8913 12.8926 12.8926 k = 0.4877 0.3101 0.1526 ( 6868 PWs) bands (ev): -1.0821 -1.0821 -1.0814 -1.0814 -0.4143 -0.4143 -0.4142 -0.4142 4.0753 4.0753 4.0778 4.0778 5.7566 5.7566 5.7591 5.7591 6.7517 6.7517 6.7675 6.7675 6.8593 6.8593 6.8745 6.8745 7.0650 7.0650 7.0690 7.0690 7.7662 7.7662 7.7940 7.7940 8.0422 8.0422 8.1014 8.1014 8.5646 8.5646 8.5693 8.5693 8.8894 8.8894 8.9391 8.9391 8.9819 8.9819 8.9981 8.9981 9.6933 9.6933 9.7029 9.7029 10.0683 10.0683 10.0697 10.0697 12.1271 12.1271 12.1287 12.1287 12.6066 12.6066 12.6209 12.6209 12.8950 12.8950 12.8981 12.8981 k = 0.4815 0.3208 0.1526 ( 6872 PWs) bands (ev): -1.0800 -1.0800 -1.0790 -1.0790 -0.4133 -0.4133 -0.4131 -0.4131 4.0811 4.0811 4.0849 4.0849 5.7565 5.7565 5.7602 5.7602 6.7293 6.7293 6.7479 6.7479 6.8696 6.8696 6.8872 6.8872 7.0610 7.0610 7.0672 7.0672 7.7330 7.7330 7.7673 7.7673 8.0420 8.0420 8.1221 8.1221 8.5649 8.5649 8.5726 8.5726 8.8791 8.8791 8.9491 8.9491 8.9861 8.9861 9.0067 9.0067 9.6937 9.6937 9.7081 9.7081 10.0757 10.0757 10.0778 10.0778 12.1209 12.1209 12.1235 12.1235 12.5985 12.5985 12.6195 12.6195 12.9012 12.9012 12.9073 12.9073 k = 0.4753 0.3314 0.1526 ( 6874 PWs) bands (ev): -1.0769 -1.0769 -1.0757 -1.0757 -0.4119 -0.4119 -0.4117 -0.4117 4.0894 4.0894 4.0946 4.0946 5.7566 5.7566 5.7614 5.7614 6.7034 6.7034 6.7237 6.7237 6.8809 6.8809 6.8996 6.8996 7.0559 7.0559 7.0643 7.0643 7.6940 7.6940 7.7308 7.7308 8.0455 8.0455 8.1411 8.1411 8.5654 8.5654 8.5765 8.5765 8.8702 8.8702 8.9553 8.9553 8.9961 8.9961 9.0167 9.0167 9.6949 9.6949 9.7140 9.7140 10.0864 10.0864 10.0891 10.0891 12.1104 12.1104 12.1144 12.1144 12.5906 12.5906 12.6177 12.6177 12.9094 12.9094 12.9205 12.9205 k = 0.4691 0.3421 0.1526 ( 6868 PWs) bands (ev): -1.0731 -1.0731 -1.0715 -1.0715 -0.4101 -0.4101 -0.4099 -0.4099 4.1003 4.1003 4.1068 4.1068 5.7568 5.7568 5.7626 5.7626 6.6746 6.6746 6.6960 6.6960 6.8919 6.8919 6.9110 6.9110 7.0495 7.0495 7.0604 7.0604 7.6508 7.6508 7.6878 7.6878 8.0507 8.0507 8.1579 8.1579 8.5659 8.5659 8.5808 8.5808 8.8628 8.8628 8.9589 8.9589 9.0103 9.0103 9.0277 9.0277 9.6965 9.6965 9.7204 9.7204 10.1005 10.1005 10.1037 10.1037 12.0944 12.0944 12.1001 12.1001 12.5839 12.5839 12.6163 12.6163 12.9180 12.9180 12.9378 12.9378 k = 0.4630 0.3528 0.1526 ( 6856 PWs) bands (ev): -1.0684 -1.0684 -1.0665 -1.0665 -0.4079 -0.4079 -0.4077 -0.4077 4.1136 4.1136 4.1214 4.1214 5.7569 5.7569 5.7637 5.7637 6.6430 6.6430 6.6655 6.6655 6.9021 6.9021 6.9214 6.9214 7.0420 7.0420 7.0555 7.0555 7.6046 7.6046 7.6409 7.6409 8.0561 8.0561 8.1721 8.1721 8.5663 8.5663 8.5852 8.5852 8.8571 8.8571 8.9615 8.9615 9.0267 9.0267 9.0396 9.0396 9.6983 9.6983 9.7268 9.7268 10.1183 10.1183 10.1219 10.1219 12.0721 12.0721 12.0799 12.0799 12.5789 12.5789 12.6159 12.6159 12.9239 12.9239 12.9577 12.9577 k = 0.4568 0.3635 0.1526 ( 6856 PWs) bands (ev): -1.0629 -1.0629 -1.0607 -1.0607 -0.4054 -0.4054 -0.4051 -0.4051 4.1292 4.1292 4.1385 4.1385 5.7567 5.7567 5.7643 5.7643 6.6089 6.6089 6.6324 6.6324 6.9113 6.9113 6.9301 6.9301 7.0336 7.0336 7.0497 7.0497 7.5568 7.5568 7.5922 7.5922 8.0611 8.0611 8.1840 8.1840 8.5664 8.5664 8.5893 8.5893 8.8531 8.8531 8.9640 8.9640 9.0439 9.0439 9.0521 9.0521 9.7000 9.7000 9.7330 9.7330 10.1398 10.1398 10.1435 10.1435 12.0432 12.0432 12.0534 12.0534 12.5751 12.5751 12.6160 12.6160 12.9246 12.9246 12.9736 12.9736 k = 0.4506 0.3742 0.1526 ( 6856 PWs) bands (ev): -1.0567 -1.0567 -1.0542 -1.0542 -0.4025 -0.4025 -0.4022 -0.4022 4.1472 4.1472 4.1579 4.1579 5.7560 5.7560 5.7643 5.7643 6.5724 6.5724 6.5972 6.5972 6.9192 6.9192 6.9364 6.9364 7.0251 7.0251 7.0431 7.0431 7.5084 7.5084 7.5433 7.5433 8.0652 8.0652 8.1937 8.1937 8.5662 8.5662 8.5928 8.5928 8.8507 8.8507 8.9668 8.9668 9.0613 9.0613 9.0649 9.0649 9.7015 9.7015 9.7388 9.7388 10.1652 10.1652 10.1688 10.1688 12.0082 12.0082 12.0211 12.0211 12.5713 12.5713 12.6154 12.6154 12.9208 12.9208 12.9776 12.9776 k = 0.4444 0.3849 0.1526 ( 6864 PWs) bands (ev): -1.0499 -1.0499 -1.0472 -1.0472 -0.3993 -0.3993 -0.3989 -0.3989 4.1673 4.1673 4.1795 4.1795 5.7544 5.7544 5.7633 5.7633 6.5340 6.5340 6.5603 6.5603 6.9252 6.9252 6.9388 6.9388 7.0178 7.0178 7.0360 7.0360 7.4606 7.4606 7.4955 7.4955 8.0686 8.0686 8.2015 8.2015 8.5657 8.5657 8.5957 8.5957 8.8498 8.8498 8.9699 8.9699 9.0777 9.0777 9.0783 9.0783 9.7027 9.7027 9.7440 9.7440 10.1943 10.1943 10.1975 10.1975 11.9682 11.9682 11.9838 11.9838 12.5656 12.5656 12.6121 12.6121 12.9158 12.9158 12.9761 12.9761 k = 0.4383 0.3956 0.1526 ( 6860 PWs) bands (ev): -1.0425 -1.0425 -1.0395 -1.0395 -0.3958 -0.3958 -0.3954 -0.3954 4.1896 4.1896 4.2033 4.2033 5.7515 5.7515 5.7608 5.7608 6.4943 6.4943 6.5223 6.5223 6.9285 6.9285 6.9352 6.9352 7.0136 7.0136 7.0290 7.0290 7.4144 7.4144 7.4499 7.4499 8.0712 8.0712 8.2079 8.2079 8.5651 8.5651 8.5980 8.5980 8.8501 8.8501 8.9730 8.9730 9.0903 9.0903 9.0946 9.0946 9.7036 9.7036 9.7487 9.7487 10.2272 10.2272 10.2297 10.2297 11.9245 11.9245 11.9427 11.9427 12.5559 12.5559 12.6039 12.6039 12.9125 12.9125 12.9751 12.9751 k = 0.4321 0.4063 0.1526 ( 6858 PWs) bands (ev): -1.0347 -1.0347 -1.0314 -1.0314 -0.3920 -0.3920 -0.3916 -0.3916 4.2138 4.2138 4.2291 4.2291 5.7467 5.7467 5.7562 5.7562 6.4542 6.4542 6.4842 6.4842 6.9242 6.9242 6.9279 6.9279 7.0139 7.0139 7.0230 7.0230 7.3709 7.3709 7.4073 7.4073 8.0732 8.0732 8.2131 8.2131 8.5643 8.5643 8.5995 8.5995 8.8513 8.8513 8.9762 8.9762 9.1025 9.1025 9.1101 9.1101 9.7041 9.7041 9.7527 9.7527 10.2635 10.2635 10.2650 10.2650 11.8783 11.8783 11.8991 11.8991 12.5407 12.5407 12.5891 12.5891 12.9127 12.9127 12.9770 12.9770 k = 0.4259 0.4170 0.1526 ( 6860 PWs) bands (ev): -1.0264 -1.0264 -1.0229 -1.0229 -0.3880 -0.3880 -0.3875 -0.3875 4.2398 4.2398 4.2568 4.2568 5.7393 5.7393 5.7488 5.7488 6.4145 6.4145 6.4470 6.4470 6.9064 6.9064 6.9218 6.9218 7.0178 7.0178 7.0192 7.0192 7.3309 7.3309 7.3685 7.3685 8.0747 8.0747 8.2174 8.2174 8.5635 8.5635 8.6005 8.6005 8.8531 8.8531 8.9793 8.9793 9.1139 9.1139 9.1245 9.1245 9.7044 9.7044 9.7563 9.7563 10.3029 10.3029 10.3032 10.3032 11.8309 11.8309 11.8543 11.8543 12.5193 12.5193 12.5669 12.5669 12.9174 12.9174 12.9825 12.9825 k = 0.4198 0.4277 0.1526 ( 6864 PWs) bands (ev): -1.0179 -1.0179 -1.0141 -1.0141 -0.3838 -0.3838 -0.3833 -0.3833 4.2674 4.2674 4.2863 4.2863 5.7285 5.7285 5.7379 5.7379 6.3767 6.3767 6.4118 6.4118 6.8833 6.8833 6.9093 6.9093 7.0182 7.0182 7.0241 7.0241 7.2953 7.2953 7.3338 7.3338 8.0756 8.0756 8.2209 8.2209 8.5627 8.5627 8.6011 8.6011 8.8552 8.8552 8.9821 8.9821 9.1245 9.1245 9.1377 9.1377 9.7045 9.7045 9.7595 9.7595 10.3439 10.3439 10.3452 10.3452 11.7834 11.7834 11.8094 11.8094 12.4915 12.4915 12.5374 12.5374 12.9264 12.9264 12.9917 12.9917 k = 0.4136 0.4384 0.1526 ( 6864 PWs) bands (ev): -1.0091 -1.0091 -1.0051 -1.0051 -0.3794 -0.3794 -0.3789 -0.3789 4.2965 4.2965 4.3172 4.3172 5.7134 5.7134 5.7226 5.7226 6.3421 6.3421 6.3801 6.3801 6.8563 6.8563 6.8905 6.8905 7.0199 7.0199 7.0317 7.0317 7.2644 7.2644 7.3033 7.3033 8.0763 8.0763 8.2239 8.2239 8.5620 8.5620 8.6014 8.6014 8.8573 8.8573 8.9845 8.9845 9.1342 9.1342 9.1497 9.1497 9.7047 9.7047 9.7625 9.7625 10.3868 10.3868 10.3900 10.3900 11.7367 11.7367 11.7654 11.7654 12.4579 12.4579 12.5016 12.5016 12.9390 12.9390 13.0041 13.0041 k = 0.4074 0.4491 0.1526 ( 6872 PWs) bands (ev): -1.0003 -1.0003 -0.9961 -0.9961 -0.3748 -0.3748 -0.3743 -0.3743 4.3268 4.3268 4.3495 4.3495 5.6932 5.6932 5.7025 5.7025 6.3121 6.3121 6.3531 6.3531 6.8261 6.8261 6.8664 6.8664 7.0234 7.0234 7.0399 7.0399 7.2383 7.2383 7.2769 7.2769 8.0766 8.0766 8.2263 8.2263 8.5614 8.5614 8.6016 8.6016 8.8592 8.8592 8.9863 8.9863 9.1428 9.1428 9.1604 9.1604 9.7049 9.7049 9.7654 9.7654 10.4312 10.4312 10.4366 10.4366 11.6918 11.6918 11.7234 11.7234 12.4190 12.4190 12.4605 12.4605 12.9542 12.9542 13.0190 13.0190 k = 0.4012 0.4597 0.1526 ( 6848 PWs) bands (ev): -0.9915 -0.9915 -0.9871 -0.9871 -0.3702 -0.3702 -0.3697 -0.3697 4.3580 4.3580 4.3829 4.3829 5.6675 5.6675 5.6771 5.6771 6.2880 6.2880 6.3319 6.3319 6.7937 6.7937 6.8383 6.8383 7.0279 7.0279 7.0484 7.0484 7.2169 7.2169 7.2543 7.2543 8.0767 8.0767 8.2285 8.2285 8.5610 8.5610 8.6016 8.6017 8.8607 8.8607 8.9876 8.9876 9.1505 9.1505 9.1699 9.1699 9.7053 9.7053 9.7683 9.7683 10.4766 10.4766 10.4845 10.4845 11.6495 11.6495 11.6842 11.6842 12.3759 12.3759 12.4151 12.4151 12.9711 12.9711 13.0355 13.0355 k = 0.3951 0.4704 0.1526 ( 6856 PWs) bands (ev): -0.9828 -0.9828 -0.9782 -0.9782 -0.3655 -0.3655 -0.3651 -0.3651 4.3898 4.3898 4.4170 4.4170 5.6362 5.6362 5.6466 5.6466 6.2706 6.2706 6.3170 6.3170 6.7597 6.7597 6.8070 6.8070 7.0327 7.0327 7.0570 7.0570 7.1997 7.1997 7.2351 7.2351 8.0765 8.0765 8.2303 8.2303 8.5607 8.5607 8.6016 8.6016 8.8617 8.8617 8.9883 8.9883 9.1571 9.1571 9.1781 9.1781 9.7059 9.7059 9.7712 9.7712 10.5223 10.5223 10.5329 10.5329 11.6108 11.6108 11.6490 11.6490 12.3293 12.3293 12.3663 12.3663 12.9888 12.9888 13.0525 13.0525 k = 0.3889 0.4811 0.1526 ( 6864 PWs) bands (ev): -0.9745 -0.9745 -0.9697 -0.9697 -0.3609 -0.3609 -0.3605 -0.3605 4.4218 4.4218 4.4515 4.4515 5.6000 5.6000 5.6117 5.6117 6.2600 6.2600 6.3087 6.3087 6.7247 6.7247 6.7736 6.7736 7.0375 7.0375 7.0654 7.0654 7.1863 7.1863 7.2189 7.2189 8.0762 8.0762 8.2319 8.2319 8.5606 8.5606 8.6015 8.6015 8.8622 8.8622 8.9883 8.9883 9.1628 9.1628 9.1852 9.1852 9.7068 9.7068 9.7742 9.7742 10.5671 10.5671 10.5809 10.5809 11.5765 11.5765 11.6186 11.6186 12.2801 12.2801 12.3150 12.3150 13.0066 13.0066 13.0686 13.0686 k = 0.3827 0.4918 0.1526 ( 6868 PWs) bands (ev): -0.9665 -0.9665 -0.9615 -0.9615 -0.3564 -0.3564 -0.3560 -0.3560 4.4535 4.4535 4.4859 4.4859 5.5601 5.5601 5.5737 5.5737 6.2560 6.2560 6.3068 6.3068 6.6892 6.6892 6.7389 6.7389 7.0419 7.0419 7.0735 7.0735 7.1760 7.1760 7.2053 7.2053 8.0758 8.0758 8.2332 8.2332 8.5605 8.5605 8.6014 8.6014 8.8621 8.8621 8.9877 8.9877 9.1676 9.1676 9.1912 9.1912 9.7079 9.7079 9.7774 9.7774 10.6102 10.6102 10.6274 10.6274 11.5477 11.5477 11.5943 11.5943 12.2291 12.2291 12.2619 12.2619 13.0238 13.0238 13.0821 13.0821 k = 0.3765 0.5025 0.1526 ( 6870 PWs) bands (ev): -0.9590 -0.9590 -0.9539 -0.9539 -0.3521 -0.3521 -0.3517 -0.3517 4.4843 4.4843 4.5196 4.5196 5.5181 5.5181 5.5340 5.5340 6.2581 6.2581 6.3106 6.3106 6.6537 6.6537 6.7036 6.7036 7.0458 7.0458 7.0811 7.0811 7.1685 7.1685 7.1940 7.1940 8.0752 8.0752 8.2344 8.2344 8.5606 8.5606 8.6013 8.6013 8.8615 8.8615 8.9867 8.9867 9.1716 9.1716 9.1963 9.1963 9.7094 9.7094 9.7806 9.7806 10.6502 10.6502 10.6711 10.6711 11.5255 11.5255 11.5771 11.5771 12.1770 12.1770 12.2076 12.2076 13.0399 13.0399 13.0907 13.0907 k = 0.3704 0.5132 0.1526 ( 6862 PWs) bands (ev): -0.9521 -0.9521 -0.9469 -0.9469 -0.3481 -0.3481 -0.3476 -0.3476 4.5135 4.5135 4.5519 4.5519 5.4758 5.4758 5.4944 5.4944 6.2655 6.2655 6.3196 6.3196 6.6185 6.6185 6.6682 6.6682 7.0489 7.0489 7.0880 7.0880 7.1633 7.1633 7.1849 7.1849 8.0746 8.0746 8.2354 8.2354 8.5607 8.5607 8.6011 8.6011 8.8605 8.8605 8.9852 8.9852 9.1749 9.1749 9.2005 9.2005 9.7111 9.7111 9.7839 9.7839 10.6860 10.6860 10.7105 10.7105 11.5110 11.5110 11.5680 11.5680 12.1245 12.1245 12.1528 12.1528 13.0544 13.0544 13.0934 13.0934 k = 0.3642 0.5239 0.1526 ( 6862 PWs) bands (ev): -0.9460 -0.9460 -0.9407 -0.9407 -0.3444 -0.3444 -0.3439 -0.3439 4.5404 4.5404 4.5820 4.5820 5.4352 5.4352 5.4567 5.4567 6.2774 6.2774 6.3332 6.3332 6.5840 6.5840 6.6330 6.6330 7.0513 7.0513 7.0940 7.0940 7.1599 7.1599 7.1777 7.1777 8.0739 8.0739 8.2362 8.2362 8.5609 8.5609 8.6009 8.6009 8.8592 8.8592 8.9835 8.9835 9.1775 9.1775 9.2039 9.2039 9.7129 9.7129 9.7871 9.7871 10.7162 10.7162 10.7443 10.7443 11.5052 11.5052 11.5680 11.5680 12.0727 12.0727 12.0983 12.0983 13.0672 13.0672 13.0913 13.0913 k = 0.3580 0.5346 0.1526 ( 6882 PWs) bands (ev): -0.9408 -0.9408 -0.9354 -0.9354 -0.3411 -0.3411 -0.3407 -0.3407 4.5640 4.5640 4.6088 4.6088 5.3982 5.3982 5.4228 5.4228 6.2929 6.2929 6.3505 6.3505 6.5507 6.5507 6.5986 6.5986 7.0530 7.0530 7.0989 7.0989 7.1580 7.1580 7.1723 7.1723 8.0732 8.0732 8.2368 8.2368 8.5610 8.5610 8.6006 8.6006 8.8577 8.8577 8.9817 8.9817 9.1795 9.1795 9.2065 9.2065 9.7147 9.7147 9.7902 9.7902 10.7402 10.7402 10.7712 10.7712 11.5082 11.5082 11.5770 11.5770 12.0228 12.0228 12.0449 12.0449 13.0782 13.0783 13.0873 13.0873 k = 0.3519 0.5453 0.1526 ( 6884 PWs) bands (ev): -0.9365 -0.9365 -0.9311 -0.9311 -0.3384 -0.3384 -0.3380 -0.3380 4.5834 4.5834 4.6311 4.6311 5.3669 5.3669 5.3944 5.3944 6.3110 6.3110 6.3709 6.3709 6.5193 6.5193 6.5653 6.5653 7.0540 7.0540 7.1024 7.1024 7.1571 7.1571 7.1687 7.1687 8.0726 8.0726 8.2374 8.2374 8.5611 8.5612 8.6003 8.6003 8.8563 8.8563 8.9799 8.9799 9.1810 9.1810 9.2084 9.2084 9.7164 9.7164 9.7928 9.7928 10.7576 10.7576 10.7909 10.7909 11.5190 11.5190 11.5941 11.5941 11.9764 11.9764 11.9943 11.9943 13.0832 13.0832 13.0880 13.0881 k = 0.3457 0.5560 0.1526 ( 6880 PWs) bands (ev): -0.9333 -0.9333 -0.9279 -0.9279 -0.3363 -0.3363 -0.3359 -0.3359 4.5976 4.5976 4.6478 4.6478 5.3431 5.3431 5.3730 5.3730 6.3301 6.3301 6.3931 6.3931 6.4909 6.4909 6.5342 6.5342 7.0545 7.0545 7.1047 7.1047 7.1568 7.1568 7.1666 7.1666 8.0722 8.0722 8.2377 8.2377 8.5612 8.5612 8.6000 8.6000 8.8551 8.8551 8.9785 8.9785 9.1821 9.1821 9.2098 9.2098 9.7178 9.7178 9.7950 9.7950 10.7688 10.7688 10.8035 10.8035 11.5346 11.5346 11.6163 11.6163 11.9367 11.9367 11.9493 11.9493 13.0800 13.0800 13.0970 13.0971 k = 0.3395 0.5667 0.1526 ( 6884 PWs) bands (ev): -0.9313 -0.9313 -0.9259 -0.9259 -0.3350 -0.3350 -0.3346 -0.3346 4.6062 4.6062 4.6580 4.6580 5.3284 5.3284 5.3598 5.3598 6.3468 6.3468 6.4145 6.4145 6.4688 6.4688 6.5076 6.5076 7.0547 7.0547 7.1059 7.1059 7.1569 7.1569 7.1656 7.1656 8.0718 8.0718 8.2379 8.2379 8.5613 8.5613 8.5998 8.5998 8.8542 8.8542 8.9774 8.9774 9.1827 9.1827 9.2106 9.2106 9.7187 9.7187 9.7964 9.7964 10.7747 10.7747 10.8100 10.8100 11.5496 11.5496 11.6375 11.6375 11.9082 11.9082 11.9153 11.9153 13.0783 13.0783 13.1053 13.1053 k = 0.3333 0.5774 0.1526 ( 6864 PWs) bands (ev): -0.9307 -0.9307 -0.9252 -0.9252 -0.3346 -0.3346 -0.3342 -0.3342 4.6090 4.6090 4.6613 4.6613 5.3234 5.3234 5.3554 5.3554 6.3543 6.3543 6.4256 6.4256 6.4596 6.4596 6.4948 6.4948 7.0548 7.0548 7.1062 7.1062 7.1570 7.1570 7.1654 7.1654 8.0717 8.0717 8.2380 8.2380 8.5614 8.5614 8.5998 8.5998 8.8539 8.8539 8.9771 8.9771 9.1829 9.1829 9.2109 9.2109 9.7191 9.7191 9.7969 9.7969 10.7763 10.7763 10.8118 10.8118 11.5562 11.5562 11.6471 11.6471 11.8974 11.8974 11.9017 11.9017 13.0778 13.0778 13.1099 13.1099 k = 0.3333 0.5774 0.1526 ( 6864 PWs) bands (ev): -0.9307 -0.9307 -0.9252 -0.9252 -0.3346 -0.3346 -0.3342 -0.3342 4.6090 4.6090 4.6613 4.6613 5.3234 5.3234 5.3554 5.3554 6.3543 6.3543 6.4256 6.4256 6.4596 6.4596 6.4948 6.4948 7.0548 7.0548 7.1062 7.1062 7.1570 7.1570 7.1654 7.1654 8.0717 8.0717 8.2380 8.2380 8.5614 8.5614 8.5998 8.5998 8.8539 8.8539 8.9771 8.9771 9.1829 9.1829 9.2109 9.2109 9.7191 9.7191 9.7969 9.7969 10.7763 10.7763 10.8118 10.8118 11.5562 11.5562 11.6471 11.6471 11.8974 11.8974 11.9017 11.9017 13.0778 13.0778 13.1099 13.1099 k = 0.3272 0.5667 0.1526 ( 6876 PWs) bands (ev): -0.9314 -0.9314 -0.9259 -0.9259 -0.3350 -0.3350 -0.3347 -0.3347 4.6065 4.6065 4.6582 4.6582 5.3282 5.3282 5.3596 5.3596 6.3465 6.3465 6.4142 6.4142 6.4691 6.4691 6.5079 6.5079 7.0548 7.0548 7.1060 7.1060 7.1569 7.1569 7.1655 7.1655 8.0719 8.0719 8.2380 8.2380 8.5613 8.5613 8.5999 8.5999 8.8542 8.8542 8.9775 8.9775 9.1827 9.1827 9.2106 9.2106 9.7187 9.7187 9.7964 9.7964 10.7751 10.7751 10.8105 10.8105 11.5484 11.5484 11.6361 11.6361 11.9090 11.9090 11.9162 11.9162 13.0780 13.0780 13.1041 13.1041 k = 0.3210 0.5560 0.1526 ( 6876 PWs) bands (ev): -0.9336 -0.9336 -0.9281 -0.9281 -0.3366 -0.3366 -0.3362 -0.3362 4.5996 4.5996 4.6500 4.6500 5.3418 5.3418 5.3719 5.3719 6.3282 6.3282 6.3911 6.3911 6.4923 6.4923 6.5356 6.5356 7.0549 7.0549 7.1055 7.1055 7.1563 7.1563 7.1656 7.1656 8.0723 8.0723 8.2377 8.2377 8.5613 8.5613 8.6002 8.6002 8.8555 8.8555 8.9789 8.9789 9.1821 9.1821 9.2098 9.2099 9.7174 9.7174 9.7946 9.7946 10.7720 10.7720 10.8072 10.8072 11.5259 11.5259 11.6071 11.6071 11.9417 11.9417 11.9552 11.9552 13.0778 13.0778 13.0913 13.0913 k = 0.3148 0.5453 0.1526 ( 6874 PWs) bands (ev): -0.9374 -0.9374 -0.9320 -0.9320 -0.3392 -0.3392 -0.3388 -0.3388 4.5896 4.5896 4.6381 4.6381 5.3627 5.3627 5.3910 5.3910 6.3060 6.3060 6.3657 6.3657 6.5226 6.5226 6.5687 6.5687 7.0552 7.0552 7.1050 7.1050 7.1554 7.1554 7.1656 7.1656 8.0730 8.0730 8.2374 8.2374 8.5613 8.5613 8.6008 8.6008 8.8579 8.8579 8.9816 8.9816 9.1811 9.1811 9.2086 9.2086 9.7152 9.7152 9.7915 9.7915 10.7680 10.7680 10.8031 10.8031 11.4934 11.4934 11.5684 11.5684 11.9898 11.9898 12.0093 12.0093 13.0753 13.0753 13.0757 13.0757 k = 0.3086 0.5346 0.1526 ( 6870 PWs) bands (ev): -0.9428 -0.9428 -0.9374 -0.9374 -0.3430 -0.3430 -0.3426 -0.3426 4.5780 4.5780 4.6242 4.6242 5.3894 5.3894 5.4157 5.4157 6.2830 6.2830 6.3405 6.3405 6.5566 6.5566 6.6042 6.6042 7.0558 7.0558 7.1044 7.1044 7.1540 7.1540 7.1654 7.1654 8.0740 8.0740 8.2370 8.2370 8.5613 8.5613 8.6018 8.6018 8.8614 8.8614 8.9855 8.9855 9.1797 9.1797 9.2068 9.2068 9.7120 9.7120 9.7872 9.7872 10.7638 10.7638 10.7988 10.7988 11.4557 11.4557 11.5258 11.5258 12.0475 12.0475 12.0716 12.0716 13.0570 13.0570 13.0700 13.0700 k = 0.3025 0.5239 0.1526 ( 6874 PWs) bands (ev): -0.9500 -0.9500 -0.9447 -0.9447 -0.3479 -0.3479 -0.3475 -0.3475 4.5661 4.5661 4.6101 4.6101 5.4201 5.4201 5.4445 5.4445 6.2606 6.2606 6.3163 6.3163 6.5929 6.5929 6.6412 6.6412 7.0568 7.0568 7.1038 7.1038 7.1523 7.1523 7.1653 7.1653 8.0754 8.0754 8.2365 8.2365 8.5614 8.5614 8.6031 8.6031 8.8663 8.8663 8.9908 8.9908 9.1778 9.1778 9.2046 9.2046 9.7080 9.7080 9.7816 9.7816 10.7596 10.7596 10.7944 10.7944 11.4164 11.4164 11.4827 11.4827 12.1106 12.1106 12.1380 12.1380 13.0365 13.0365 13.0599 13.0599 k = 0.2963 0.5132 0.1526 ( 6876 PWs) bands (ev): -0.9590 -0.9590 -0.9538 -0.9538 -0.3541 -0.3541 -0.3537 -0.3537 4.5551 4.5551 4.5969 4.5970 5.4535 5.4535 5.4761 5.4761 6.2395 6.2395 6.2937 6.2937 6.6305 6.6305 6.6789 6.6789 7.0580 7.0580 7.1029 7.1029 7.1506 7.1506 7.1656 7.1656 8.0771 8.0771 8.2360 8.2360 8.5616 8.5616 8.6047 8.6047 8.8727 8.8727 8.9977 8.9977 9.1753 9.1753 9.2017 9.2017 9.7032 9.7032 9.7749 9.7749 10.7554 10.7554 10.7900 10.7900 11.3778 11.3778 11.4411 11.4411 12.1760 12.1760 12.2058 12.2058 13.0143 13.0143 13.0451 13.0451 k = 0.2901 0.5025 0.1526 ( 6864 PWs) bands (ev): -0.9699 -0.9699 -0.9648 -0.9648 -0.3615 -0.3615 -0.3611 -0.3611 4.5459 4.5459 4.5858 4.5858 5.4883 5.4883 5.5095 5.5095 6.2202 6.2202 6.2728 6.2728 6.6688 6.6688 6.7169 6.7169 7.0593 7.0593 7.1013 7.1013 7.1495 7.1495 7.1670 7.1670 8.0794 8.0794 8.2357 8.2357 8.5618 8.5619 8.6065 8.6065 8.8807 8.8807 9.0062 9.0062 9.1724 9.1724 9.1983 9.1983 9.6978 9.6978 9.7675 9.7675 10.7510 10.7510 10.7850 10.7850 11.3420 11.3420 11.4024 11.4024 12.2414 12.2414 12.2728 12.2728 12.9906 12.9906 13.0263 13.0263 k = 0.2840 0.4918 0.1526 ( 6872 PWs) bands (ev): -0.9828 -0.9828 -0.9778 -0.9778 -0.3701 -0.3701 -0.3697 -0.3697 4.5394 4.5394 4.5775 4.5775 5.5232 5.5232 5.5434 5.5434 6.2033 6.2033 6.2541 6.2541 6.7074 6.7074 6.7546 6.7546 7.0603 7.0603 7.0987 7.0987 7.1496 7.1496 7.1702 7.1702 8.0822 8.0822 8.2357 8.2357 8.5622 8.5622 8.6085 8.6085 8.8905 8.8905 9.0164 9.0164 9.1688 9.1688 9.1942 9.1942 9.6921 9.6921 9.7594 9.7594 10.7457 10.7457 10.7785 10.7785 11.3108 11.3108 11.3680 11.3680 12.3048 12.3048 12.3370 12.3370 12.9660 12.9660 13.0045 13.0045 k = 0.2778 0.4811 0.1526 ( 6876 PWs) bands (ev): -0.9977 -0.9977 -0.9929 -0.9929 -0.3798 -0.3798 -0.3794 -0.3794 4.5361 4.5361 4.5726 4.5726 5.5571 5.5571 5.5769 5.5769 6.1893 6.1893 6.2380 6.2380 6.7455 6.7455 6.7914 6.7914 7.0604 7.0604 7.0946 7.0946 7.1522 7.1522 7.1760 7.1760 8.0857 8.0857 8.2361 8.2361 8.5626 8.5626 8.6106 8.6106 8.9020 8.9020 9.0283 9.0283 9.1645 9.1645 9.1894 9.1894 9.6864 9.6864 9.7513 9.7513 10.7388 10.7388 10.7694 10.7694 11.2857 11.2857 11.3391 11.3391 12.3641 12.3641 12.3963 12.3963 12.9411 12.9411 12.9806 12.9806 k = 0.2716 0.4704 0.1526 ( 6872 PWs) bands (ev): -1.0147 -1.0147 -1.0101 -1.0101 -0.3905 -0.3905 -0.3901 -0.3901 4.5365 4.5365 4.5715 4.5715 5.5890 5.5890 5.6089 5.6089 6.1786 6.1786 6.2248 6.2248 6.7828 6.7828 6.8266 6.8266 7.0588 7.0588 7.0890 7.0890 7.1584 7.1584 7.1848 7.1848 8.0902 8.0902 8.2373 8.2373 8.5631 8.5631 8.6126 8.6126 8.9154 8.9154 9.0419 9.0419 9.1595 9.1595 9.1839 9.1839 9.6811 9.6811 9.7433 9.7433 10.7292 10.7292 10.7566 10.7566 11.2682 11.2682 11.3170 11.3170 12.4171 12.4171 12.4483 12.4483 12.9170 12.9170 12.9558 12.9558 k = 0.2654 0.4597 0.1526 ( 6872 PWs) bands (ev): -1.0338 -1.0338 -1.0294 -1.0294 -0.4021 -0.4021 -0.4018 -0.4018 4.5407 4.5407 4.5744 4.5744 5.6178 5.6178 5.6384 5.6384 6.1718 6.1718 6.2150 6.2150 6.8186 6.8186 6.8597 6.8597 7.0553 7.0553 7.0819 7.0819 7.1692 7.1692 7.1970 7.1970 8.0957 8.0957 8.2396 8.2396 8.5635 8.5635 8.6146 8.6146 8.9307 8.9307 9.0572 9.0572 9.1538 9.1538 9.1778 9.1778 9.6765 9.6765 9.7360 9.7360 10.7162 10.7162 10.7394 10.7394 11.2593 11.2593 11.3026 11.3026 12.4614 12.4614 12.4900 12.4900 12.8954 12.8954 12.9315 12.9315 k = 0.2593 0.4491 0.1526 ( 6880 PWs) bands (ev): -1.0551 -1.0551 -1.0509 -1.0509 -0.4146 -0.4146 -0.4143 -0.4143 4.5490 4.5490 4.5816 4.5816 5.6426 5.6426 5.6645 5.6645 6.1694 6.1694 6.2091 6.2091 6.8522 6.8522 6.8899 6.8899 7.0500 7.0500 7.0739 7.0739 7.1849 7.1849 7.2127 7.2127 8.1027 8.1027 8.2431 8.2431 8.5639 8.5639 8.6163 8.6163 8.9478 8.9478 9.0740 9.0740 9.1473 9.1473 9.1709 9.1709 9.6730 9.6730 9.7296 9.7296 10.6992 10.6992 10.7173 10.7173 11.2594 11.2594 11.2965 11.2965 12.4943 12.4943 12.5183 12.5183 12.8780 12.8780 12.9093 12.9093 k = 0.2531 0.4384 0.1526 ( 6876 PWs) bands (ev): -1.0786 -1.0786 -1.0746 -1.0746 -0.4278 -0.4278 -0.4276 -0.4276 4.5614 4.5614 4.5930 4.5930 5.6628 5.6628 5.6864 5.6864 6.1717 6.1717 6.2075 6.2075 6.8829 6.8829 6.9165 6.9165 7.0439 7.0439 7.0657 7.0657 7.2053 7.2053 7.2319 7.2319 8.1116 8.1116 8.2484 8.2484 8.5641 8.5641 8.6177 8.6177 8.9666 8.9666 9.0922 9.0922 9.1402 9.1402 9.1636 9.1636 9.6707 9.6707 9.7245 9.7245 10.6780 10.6780 10.6907 10.6907 11.2681 11.2681 11.2988 11.2988 12.5133 12.5133 12.5307 12.5307 12.8664 12.8664 12.8907 12.8907 k = 0.2469 0.4277 0.1526 ( 6862 PWs) bands (ev): -1.1042 -1.1042 -1.1004 -1.1004 -0.4417 -0.4417 -0.4414 -0.4414 4.5779 4.5779 4.6085 4.6085 5.6780 5.6780 5.7035 5.7035 6.1788 6.1788 6.2103 6.2103 6.9094 6.9094 6.9380 6.9380 7.0391 7.0391 7.0585 7.0585 7.2298 7.2298 7.2545 7.2545 8.1225 8.1225 8.2558 8.2558 8.5642 8.5642 8.6188 8.6188 8.9871 8.9871 9.1110 9.1110 9.1324 9.1324 9.1566 9.1566 9.6701 9.6701 9.7211 9.7211 10.6530 10.6530 10.6604 10.6604 11.2849 11.2849 11.3093 11.3093 12.5170 12.5170 12.5267 12.5267 12.8601 12.8601 12.8763 12.8763 k = 0.2407 0.4170 0.1526 ( 6870 PWs) bands (ev): -1.1319 -1.1319 -1.1284 -1.1284 -0.4560 -0.4560 -0.4558 -0.4558 4.5984 4.5984 4.6282 4.6282 5.6880 5.6880 5.7156 5.7156 6.1902 6.1902 6.2174 6.2174 6.9298 6.9298 6.9513 6.9513 7.0396 7.0396 7.0549 7.0549 7.2577 7.2577 7.2800 7.2800 8.1358 8.1358 8.2654 8.2654 8.5641 8.5641 8.6197 8.6197 9.0090 9.0090 9.1243 9.1243 9.1261 9.1261 9.1539 9.1539 9.6712 9.6712 9.7194 9.7194 10.6248 10.6248 10.6272 10.6272 11.3085 11.3085 11.3273 11.3273 12.5059 12.5059 12.5083 12.5083 12.8569 12.8569 12.8650 12.8650 k = 0.2346 0.4063 0.1526 ( 6874 PWs) bands (ev): -1.1617 -1.1617 -1.1584 -1.1584 -0.4706 -0.4706 -0.4705 -0.4705 4.6228 4.6228 4.6517 4.6517 5.6935 5.6935 5.7229 5.7229 6.2052 6.2052 6.2283 6.2283 6.9408 6.9408 6.9533 6.9533 7.0492 7.0492 7.0584 7.0584 7.2880 7.2880 7.3081 7.3081 8.1518 8.1518 8.2774 8.2774 8.5638 8.5638 8.6203 8.6203 9.0317 9.0317 9.1163 9.1163 9.1268 9.1268 9.1665 9.1665 9.6742 9.6742 9.7197 9.7197 10.5922 10.5922 10.5942 10.5942 11.3381 11.3381 11.3518 11.3518 12.4790 12.4790 12.4823 12.4823 12.8532 12.8532 12.8547 12.8547 k = 0.2284 0.3956 0.1526 ( 6874 PWs) bands (ev): -1.1935 -1.1935 -1.1904 -1.1904 -0.4855 -0.4855 -0.4855 -0.4855 4.6508 4.6508 4.6789 4.6789 5.6949 5.6949 5.7258 5.7258 6.2229 6.2229 6.2422 6.2422 6.9409 6.9409 6.9455 6.9455 7.0674 7.0674 7.0712 7.0712 7.3200 7.3200 7.3383 7.3383 8.1706 8.1706 8.2920 8.2920 8.5632 8.5632 8.6208 8.6208 9.0540 9.0540 9.1097 9.1097 9.1186 9.1186 9.1887 9.1887 9.6792 9.6792 9.7222 9.7222 10.5564 10.5564 10.5620 10.5620 11.3727 11.3727 11.3820 11.3820 12.4418 12.4418 12.4492 12.4492 12.8427 12.8427 12.8466 12.8466 k = 0.2222 0.3849 0.1526 ( 6864 PWs) bands (ev): -1.2271 -1.2271 -1.2242 -1.2242 -0.5007 -0.5007 -0.5007 -0.5007 4.6821 4.6821 4.7094 4.7094 5.6932 5.6932 5.7250 5.7250 6.2422 6.2422 6.2583 6.2583 6.9318 6.9318 6.9323 6.9323 7.0913 7.0913 7.0920 7.0920 7.3532 7.3532 7.3701 7.3701 8.1924 8.1924 8.3091 8.3091 8.5626 8.5626 8.6214 8.6214 9.0704 9.0704 9.1083 9.1083 9.1100 9.1100 9.2137 9.2137 9.6863 9.6863 9.7268 9.7268 10.5204 10.5204 10.5291 10.5291 11.4114 11.4114 11.4169 11.4169 12.3994 12.3994 12.4093 12.4093 12.8274 12.8274 12.8354 12.8354 k = 0.2160 0.3742 0.1526 ( 6860 PWs) bands (ev): -1.2624 -1.2624 -1.2598 -1.2598 -0.5159 -0.5159 -0.5158 -0.5158 4.7165 4.7165 4.7429 4.7429 5.6892 5.6892 5.7213 5.7213 6.2621 6.2621 6.2755 6.2755 6.9147 6.9147 6.9182 6.9182 7.1181 7.1181 7.1189 7.1189 7.3870 7.3870 7.4031 7.4031 8.2168 8.2168 8.3282 8.3282 8.5619 8.5619 8.6225 8.6225 9.0722 9.0722 9.0972 9.0972 9.1260 9.1260 9.2403 9.2403 9.6955 9.6955 9.7336 9.7336 10.4851 10.4851 10.4963 10.4963 11.4535 11.4535 11.4557 11.4557 12.3534 12.3534 12.3648 12.3648 12.8079 12.8079 12.8192 12.8192 k = 0.2099 0.3635 0.1526 ( 6856 PWs) bands (ev): -1.2993 -1.2993 -1.2969 -1.2969 -0.5312 -0.5312 -0.5311 -0.5311 4.7534 4.7534 4.7789 4.7789 5.6836 5.6836 5.7155 5.7155 6.2814 6.2814 6.2930 6.2930 6.8955 6.8955 6.9009 6.9009 7.1480 7.1480 7.1496 7.1496 7.4212 7.4212 7.4370 7.4370 8.2437 8.2437 8.3489 8.3489 8.5615 8.5615 8.6244 8.6244 9.0658 9.0658 9.0857 9.0857 9.1512 9.1512 9.2679 9.2679 9.7067 9.7067 9.7427 9.7427 10.4511 10.4511 10.4641 10.4641 11.4977 11.4977 11.4984 11.4984 12.3051 12.3051 12.3172 12.3172 12.7843 12.7843 12.7983 12.7983 k = 0.2037 0.3528 0.1526 ( 6864 PWs) bands (ev): -1.3376 -1.3376 -1.3354 -1.3354 -0.5464 -0.5464 -0.5463 -0.5463 4.7925 4.7925 4.8170 4.8170 5.6773 5.6773 5.7083 5.7083 6.2996 6.2996 6.3099 6.3099 6.8753 6.8753 6.8820 6.8820 7.1809 7.1809 7.1831 7.1831 7.4556 7.4556 7.4715 7.4715 8.2723 8.2723 8.3702 8.3702 8.5616 8.5616 8.6277 8.6277 9.0574 9.0574 9.0740 9.0740 9.1795 9.1795 9.2963 9.2963 9.7201 9.7201 9.7539 9.7539 10.4189 10.4189 10.4334 10.4334 11.5421 11.5421 11.5453 11.5453 12.2556 12.2556 12.2679 12.2679 12.7570 12.7570 12.7732 12.7732 k = 0.1975 0.3421 0.1526 ( 6856 PWs) bands (ev): -1.3771 -1.3771 -1.3751 -1.3751 -0.5616 -0.5616 -0.5614 -0.5614 4.8332 4.8332 4.8566 4.8566 5.6707 5.6707 5.7003 5.7003 6.3158 6.3158 6.3255 6.3255 6.8545 6.8545 6.8624 6.8624 7.2166 7.2166 7.2192 7.2192 7.4901 7.4901 7.5064 7.5064 8.3020 8.3020 8.3910 8.3910 8.5628 8.5628 8.6331 8.6331 9.0487 9.0487 9.0623 9.0623 9.2093 9.2093 9.3253 9.3253 9.7355 9.7355 9.7673 9.7673 10.3893 10.3893 10.4045 10.4045 11.5881 11.5881 11.5936 11.5936 12.2057 12.2057 12.2178 12.2178 12.7267 12.7267 12.7447 12.7447 k = 0.1914 0.3314 0.1526 ( 6850 PWs) bands (ev): -1.4176 -1.4176 -1.4158 -1.4158 -0.5767 -0.5767 -0.5764 -0.5764 4.8750 4.8750 4.8971 4.8971 5.6646 5.6646 5.6923 5.6923 6.3295 6.3295 6.3394 6.3394 6.8341 6.8341 6.8431 6.8431 7.2547 7.2547 7.2578 7.2578 7.5247 7.5247 7.5417 7.5417 8.3316 8.3316 8.4102 8.4102 8.5658 8.5658 8.6413 8.6413 9.0406 9.0406 9.0509 9.0509 9.2399 9.2399 9.3545 9.3545 9.7528 9.7528 9.7827 9.7827 10.3627 10.3627 10.3783 10.3783 11.6349 11.6349 11.6424 11.6424 12.1564 12.1564 12.1680 12.1680 12.6942 12.6942 12.7137 12.7137 k = 0.1852 0.3208 0.1526 ( 6854 PWs) bands (ev): -1.4589 -1.4589 -1.4573 -1.4573 -0.5916 -0.5916 -0.5913 -0.5913 4.9171 4.9171 4.9378 4.9378 5.6595 5.6595 5.6847 5.6847 6.3403 6.3403 6.3508 6.3508 6.8147 6.8147 6.8248 6.8248 7.2952 7.2952 7.2987 7.2987 7.5593 7.5593 7.5772 7.5772 8.3595 8.3595 8.4266 8.4266 8.5717 8.5717 8.6527 8.6527 9.0335 9.0335 9.0398 9.0398 9.2710 9.2710 9.3839 9.3839 9.7721 9.7721 9.7999 9.7999 10.3398 10.3398 10.3552 10.3552 11.6812 11.6812 11.6907 11.6907 12.1089 12.1089 12.1199 12.1199 12.6602 12.6602 12.6808 12.6808 k = 0.1790 0.3101 0.1526 ( 6858 PWs) bands (ev): -1.5008 -1.5008 -1.4994 -1.4994 -0.6063 -0.6063 -0.6060 -0.6060 4.9589 4.9589 4.9779 4.9779 5.6559 5.6559 5.6781 5.6781 6.3477 6.3477 6.3595 6.3595 6.7972 6.7972 6.8085 6.8085 7.3378 7.3378 7.3417 7.3417 7.5940 7.5940 7.6128 7.6128 8.3842 8.3842 8.4396 8.4396 8.5815 8.5815 8.6671 8.6671 9.0280 9.0280 9.0295 9.0295 9.3023 9.3023 9.4131 9.4131 9.7930 9.7930 9.8189 9.8189 10.3212 10.3212 10.3358 10.3358 11.7251 11.7251 11.7364 11.7364 12.0650 12.0650 12.0754 12.0754 12.6252 12.6252 12.6467 12.6467 k = 0.1728 0.2994 0.1526 ( 6866 PWs) bands (ev): -1.5431 -1.5431 -1.5419 -1.5419 -0.6209 -0.6209 -0.6205 -0.6205 4.9995 4.9995 5.0165 5.0165 5.6543 5.6543 5.6731 5.6731 6.3513 6.3513 6.3649 6.3649 6.7827 6.7827 6.7952 6.7952 7.3823 7.3823 7.3865 7.3865 7.6286 7.6286 7.6483 7.6483 8.4044 8.4044 8.4490 8.4490 8.5959 8.5959 8.6836 8.6836 9.0202 9.0202 9.0250 9.0250 9.3337 9.3337 9.4420 9.4420 9.8155 9.8155 9.8393 9.8393 10.3076 10.3076 10.3209 10.3209 11.7628 11.7628 11.7757 11.7757 12.0285 12.0285 12.0383 12.0383 12.5900 12.5900 12.6122 12.6122 k = 0.1667 0.2887 0.1526 ( 6848 PWs) bands (ev): -1.5857 -1.5857 -1.5846 -1.5846 -0.6353 -0.6353 -0.6349 -0.6349 5.0381 5.0381 5.0527 5.0527 5.6553 5.6553 5.6701 5.6701 6.3510 6.3510 6.3665 6.3665 6.7723 6.7723 6.7859 6.7859 7.4283 7.4283 7.4327 7.4327 7.6630 7.6630 7.6835 7.6835 8.4195 8.4195 8.4555 8.4555 8.6149 8.6149 8.7005 8.7005 9.0125 9.0125 9.0253 9.0253 9.3650 9.3650 9.4704 9.4704 9.8393 9.8393 9.8608 9.8608 10.2997 10.2997 10.3111 10.3111 11.7872 11.7872 11.8009 11.8009 12.0063 12.0063 12.0163 12.0163 12.5550 12.5550 12.5776 12.5776 k = 0.1605 0.2780 0.1526 ( 6842 PWs) bands (ev): -1.6282 -1.6282 -1.6273 -1.6273 -0.6494 -0.6494 -0.6490 -0.6490 5.0737 5.0737 5.0858 5.0858 5.6593 5.6593 5.6697 5.6697 6.3465 6.3465 6.3641 6.3641 6.7669 6.7669 6.7814 6.7814 7.4755 7.4755 7.4800 7.4800 7.6969 7.6969 7.7181 7.7181 8.4303 8.4303 8.4599 8.4599 8.6369 8.6369 8.7159 8.7159 9.0072 9.0072 9.0299 9.0299 9.3958 9.3958 9.4980 9.4980 9.8639 9.8639 9.8830 9.8830 10.2981 10.2981 10.3070 10.3070 11.7897 11.7897 11.8029 11.8029 12.0070 12.0070 12.0185 12.0185 12.5206 12.5206 12.5434 12.5434 k = 0.1543 0.2673 0.1526 ( 6830 PWs) bands (ev): -1.6706 -1.6706 -1.6698 -1.6698 -0.6633 -0.6633 -0.6629 -0.6629 5.1056 5.1056 5.1147 5.1147 5.6667 5.6667 5.6725 5.6725 6.3379 6.3379 6.3574 6.3574 6.7673 6.7673 6.7823 6.7823 7.5235 7.5235 7.5281 7.5281 7.7300 7.7300 7.7516 7.7516 8.4380 8.4380 8.4633 8.4633 8.6596 8.6596 8.7278 8.7278 9.0053 9.0053 9.0398 9.0398 9.4262 9.4262 9.5247 9.5247 9.8890 9.8890 9.9054 9.9054 10.3034 10.3034 10.3092 10.3092 11.7710 11.7710 11.7827 11.7827 12.0296 12.0296 12.0434 12.0434 12.4872 12.4872 12.5102 12.5102 k = 0.1481 0.2566 0.1526 ( 6834 PWs) bands (ev): -1.7127 -1.7127 -1.7119 -1.7119 -0.6769 -0.6769 -0.6766 -0.6766 5.1328 5.1328 5.1391 5.1391 5.6776 5.6776 5.6786 5.6786 6.3257 6.3257 6.3466 6.3466 6.7740 6.7740 6.7891 6.7891 7.5719 7.5719 7.5764 7.5764 7.7619 7.7619 7.7837 7.7837 8.4440 8.4440 8.4663 8.4663 8.6807 8.6807 8.7351 8.7351 9.0080 9.0080 9.0556 9.0556 9.4560 9.4560 9.5506 9.5506 9.9140 9.9140 9.9277 9.9277 10.3160 10.3160 10.3184 10.3184 11.7403 11.7403 11.7507 11.7507 12.0646 12.0646 12.0806 12.0806 12.4553 12.4553 12.4781 12.4781 k = 0.1420 0.2459 0.1526 ( 6836 PWs) bands (ev): -1.7542 -1.7542 -1.7536 -1.7536 -0.6903 -0.6903 -0.6899 -0.6899 5.1549 5.1549 5.1584 5.1584 5.6882 5.6882 5.6919 5.6919 6.3103 6.3103 6.3323 6.3323 6.7873 6.7873 6.8020 6.8020 7.6203 7.6203 7.6246 7.6246 7.7922 7.7922 7.8137 7.8137 8.4497 8.4497 8.4699 8.4699 8.6977 8.6977 8.7373 8.7373 9.0169 9.0169 9.0772 9.0772 9.4852 9.4852 9.5757 9.5757 9.9384 9.9384 9.9493 9.9493 10.3348 10.3348 10.3359 10.3359 11.7049 11.7049 11.7143 11.7143 12.1045 12.1045 12.1221 12.1221 12.4254 12.4254 12.4479 12.4479 k = 0.1358 0.2352 0.1526 ( 6840 PWs) bands (ev): -1.7950 -1.7950 -1.7945 -1.7945 -0.7034 -0.7034 -0.7030 -0.7030 5.1717 5.1717 5.1726 5.1726 5.7012 5.7012 5.7092 5.7092 6.2924 6.2924 6.3151 6.3151 6.8070 6.8070 6.8208 6.8208 7.6681 7.6681 7.6723 7.6723 7.8205 7.8205 7.8414 7.8414 8.4558 8.4558 8.4747 8.4747 8.7093 8.7093 8.7348 8.7348 9.0328 9.0328 9.1039 9.1039 9.5138 9.5138 9.6000 9.6000 9.9619 9.9619 9.9702 9.9702 10.3585 10.3585 10.3630 10.3630 11.6685 11.6685 11.6770 11.6770 12.1449 12.1449 12.1635 12.1635 12.3985 12.3985 12.4199 12.4199 k = 0.1296 0.2245 0.1526 ( 6852 PWs) bands (ev): -1.8350 -1.8350 -1.8346 -1.8346 -0.7161 -0.7161 -0.7158 -0.7158 5.1821 5.1821 5.1833 5.1833 5.7171 5.7171 5.7288 5.7288 6.2726 6.2726 6.2957 6.2957 6.8328 6.8328 6.8456 6.8456 7.7149 7.7149 7.7188 7.7188 7.8463 7.8463 7.8662 7.8662 8.4630 8.4630 8.4812 8.4812 8.7150 8.7150 8.7283 8.7283 9.0562 9.0562 9.1351 9.1351 9.5420 9.5420 9.6239 9.6239 9.9842 9.9842 9.9902 9.9902 10.3892 10.3892 10.3966 10.3966 11.6327 11.6327 11.6405 11.6405 12.1833 12.1833 12.2012 12.2012 12.3763 12.3763 12.3953 12.3953 k = 0.1235 0.2138 0.1526 ( 6862 PWs) bands (ev): -1.8741 -1.8741 -1.8737 -1.8737 -0.7286 -0.7286 -0.7283 -0.7283 5.1874 5.1874 5.1900 5.1900 5.7353 5.7353 5.7500 5.7500 6.2518 6.2518 6.2748 6.2748 6.8644 6.8644 6.8759 6.8759 7.7600 7.7600 7.7636 7.7636 7.8694 7.8694 7.8881 7.8881 8.4715 8.4715 8.4896 8.4896 8.7154 8.7154 8.7188 8.7188 9.0866 9.0866 9.1701 9.1701 9.5700 9.5700 9.6476 9.6476 10.0052 10.0052 10.0092 10.0092 10.4262 10.4262 10.4361 10.4361 11.5985 11.5985 11.6057 11.6057 12.2165 12.2165 12.2300 12.2300 12.3628 12.3628 12.3760 12.3760 k = 0.1173 0.2031 0.1526 ( 6866 PWs) bands (ev): -1.9120 -1.9120 -1.9116 -1.9116 -0.7406 -0.7406 -0.7404 -0.7404 5.1890 5.1890 5.1926 5.1926 5.7551 5.7551 5.7720 5.7720 6.2303 6.2303 6.2531 6.2531 6.9012 6.9012 6.9114 6.9114 7.8025 7.8025 7.8058 7.8058 7.8900 7.8900 7.9072 7.9072 8.4816 8.4816 8.5002 8.5002 8.7071 8.7071 8.7117 8.7117 9.1232 9.1232 9.2083 9.2083 9.5980 9.5980 9.6716 9.6716 10.0248 10.0248 10.0273 10.0273 10.4686 10.4686 10.4803 10.4803 11.5665 11.5665 11.5732 11.5732 12.2399 12.2399 12.2431 12.2431 12.3641 12.3641 12.3661 12.3661 k = 0.1111 0.1925 0.1526 ( 6884 PWs) bands (ev): -1.9486 -1.9486 -1.9484 -1.9484 -0.7523 -0.7523 -0.7521 -0.7521 5.1875 5.1875 5.1917 5.1917 5.7756 5.7756 5.7940 5.7940 6.2087 6.2087 6.2311 6.2311 6.9429 6.9429 6.9519 6.9519 7.8411 7.8411 7.8437 7.8437 7.9092 7.9092 7.9243 7.9243 8.4929 8.4929 8.5128 8.5128 8.6941 8.6941 8.7054 8.7054 9.1650 9.1650 9.2494 9.2494 9.6264 9.6264 9.6960 9.6960 10.0432 10.0432 10.0444 10.0444 10.5154 10.5154 10.5283 10.5283 11.5370 11.5370 11.5433 11.5433 12.2391 12.2391 12.2482 12.2482 12.3703 12.3703 12.3805 12.3805 k = 0.1049 0.1818 0.1526 ( 6890 PWs) bands (ev): -1.9840 -1.9840 -1.9837 -1.9837 -0.7636 -0.7636 -0.7634 -0.7634 5.1836 5.1836 5.1879 5.1879 5.7964 5.7964 5.8156 5.8156 6.1874 6.1874 6.2093 6.2093 6.9888 6.9888 6.9966 6.9966 7.8734 7.8734 7.8745 7.8745 7.9292 7.9292 7.9414 7.9414 8.5051 8.5051 8.5272 8.5272 8.6805 8.6805 8.6976 8.6976 9.2113 9.2113 9.2932 9.2932 9.6554 9.6554 9.7213 9.7213 10.0602 10.0602 10.0603 10.0603 10.5652 10.5652 10.5788 10.5788 11.5103 11.5103 11.5161 11.5161 12.2254 12.2254 12.2425 12.2425 12.3867 12.3867 12.4034 12.4034 k = 0.0988 0.1711 0.1526 ( 6894 PWs) bands (ev): -2.0178 -2.0178 -2.0176 -2.0176 -0.7744 -0.7744 -0.7743 -0.7743 5.1777 5.1777 5.1818 5.1818 5.8168 5.8168 5.8364 5.8364 6.1667 6.1667 6.1878 6.1878 7.0385 7.0385 7.0453 7.0453 7.8950 7.8950 7.8963 7.8963 7.9530 7.9530 7.9613 7.9613 8.5178 8.5178 8.5428 8.5428 8.6671 8.6671 8.6897 8.6897 9.2616 9.2616 9.3398 9.3398 9.6853 9.6853 9.7478 9.7478 10.0751 10.0751 10.0758 10.0758 10.6169 10.6169 10.6308 10.6308 11.4864 11.4864 11.4919 11.4919 12.2070 12.2070 12.2286 12.2286 12.4078 12.4078 12.4245 12.4245 k = 0.0926 0.1604 0.1526 ( 6896 PWs) bands (ev): -2.0500 -2.0500 -2.0499 -2.0499 -0.7848 -0.7848 -0.7847 -0.7847 5.1703 5.1703 5.1741 5.1741 5.8366 5.8366 5.8560 5.8560 6.1468 6.1468 6.1671 6.1671 7.0914 7.0914 7.0972 7.0972 7.9062 7.9062 7.9093 7.9093 7.9793 7.9793 7.9844 7.9844 8.5304 8.5304 8.5592 8.5592 8.6545 8.6545 8.6826 8.6826 9.3156 9.3156 9.3891 9.3891 9.7163 9.7163 9.7755 9.7755 10.0884 10.0884 10.0900 10.0900 10.6694 10.6694 10.6831 10.6831 11.4654 11.4654 11.4706 11.4706 12.1848 12.1848 12.2097 12.2097 12.4270 12.4270 12.4355 12.4355 k = 0.0864 0.1497 0.1526 ( 6878 PWs) bands (ev): -2.0806 -2.0806 -2.0805 -2.0805 -0.7947 -0.7947 -0.7946 -0.7946 5.1618 5.1618 5.1652 5.1652 5.8555 5.8555 5.8744 5.8744 6.1280 6.1280 6.1473 6.1473 7.1468 7.1468 7.1517 7.1517 7.9116 7.9116 7.9151 7.9151 8.0046 8.0046 8.0077 8.0077 8.5424 8.5424 8.5756 8.5756 8.6437 8.6437 8.6771 8.6771 9.3727 9.3727 9.4410 9.4410 9.7486 9.7486 9.8047 9.8047 10.1003 10.1003 10.1027 10.1027 10.7214 10.7214 10.7346 10.7346 11.4472 11.4472 11.4523 11.4523 12.1567 12.1567 12.1846 12.1846 12.4218 12.4218 12.4334 12.4334 k = 0.0802 0.1390 0.1526 ( 6874 PWs) bands (ev): -2.1095 -2.1095 -2.1094 -2.1094 -0.8040 -0.8040 -0.8039 -0.8039 5.1526 5.1526 5.1555 5.1555 5.8734 5.8734 5.8915 5.8915 6.1104 6.1104 6.1286 6.1286 7.2040 7.2040 7.2082 7.2082 7.9132 7.9132 7.9166 7.9166 8.0265 8.0265 8.0285 8.0285 8.5535 8.5535 8.5911 8.5911 8.6356 8.6356 8.6739 8.6739 9.4327 9.4327 9.4955 9.4955 9.7822 9.7822 9.8353 9.8353 10.1106 10.1106 10.1137 10.1137 10.7717 10.7717 10.7842 10.7842 11.4318 11.4318 11.4367 11.4367 12.1182 12.1182 12.1486 12.1486 12.3860 12.3860 12.4066 12.4066 k = 0.0741 0.1283 0.1526 ( 6876 PWs) bands (ev): -2.1365 -2.1365 -2.1364 -2.1364 -0.8128 -0.8128 -0.8127 -0.8127 5.1429 5.1429 5.1453 5.1453 5.8901 5.8901 5.9071 5.9071 6.0941 6.0941 6.1111 6.1111 7.2624 7.2624 7.2660 7.2660 7.9125 7.9125 7.9154 7.9154 8.0439 8.0439 8.0451 8.0451 8.5639 8.5639 8.6037 8.6037 8.6323 8.6323 8.6730 8.6730 9.4952 9.4952 9.5523 9.5523 9.8170 9.8170 9.8672 9.8672 10.1193 10.1193 10.1232 10.1232 10.8193 10.8193 10.8309 10.8309 11.4189 11.4189 11.4236 11.4236 12.0653 12.0653 12.0965 12.0965 12.3527 12.3527 12.3696 12.3696 k = 0.0679 0.1176 0.1526 ( 6880 PWs) bands (ev): -2.1616 -2.1616 -2.1615 -2.1615 -0.8210 -0.8210 -0.8210 -0.8210 5.1331 5.1331 5.1350 5.1350 5.9056 5.9056 5.9214 5.9214 6.0792 6.0792 6.0948 6.0948 7.3214 7.3214 7.3244 7.3244 7.9100 7.9100 7.9124 7.9124 8.0561 8.0561 8.0566 8.0566 8.5736 8.5736 8.6102 8.6102 8.6368 8.6368 8.6743 8.6743 9.5596 9.5596 9.6111 9.6111 9.8528 9.8528 9.9002 9.9002 10.1265 10.1265 10.1311 10.1311 10.8632 10.8632 10.8737 10.8737 11.4082 11.4082 11.4129 11.4129 11.9982 11.9982 12.0277 12.0277 12.3329 12.3329 12.3463 12.3463 k = 0.0617 0.1069 0.1526 ( 6880 PWs) bands (ev): -2.1847 -2.1847 -2.1847 -2.1847 -0.8286 -0.8286 -0.8286 -0.8286 5.1233 5.1233 5.1248 5.1248 5.9199 5.9199 5.9342 5.9342 6.0657 6.0657 6.0799 6.0799 7.3804 7.3804 7.3829 7.3829 7.9064 7.9064 7.9082 7.9082 8.0627 8.0627 8.0627 8.0627 8.5833 8.5833 8.6125 8.6125 8.6472 8.6472 8.6775 8.6775 9.6256 9.6256 9.6716 9.6716 9.8894 9.8894 9.9340 9.9340 10.1322 10.1322 10.1375 10.1375 10.9025 10.9025 10.9118 10.9118 11.3995 11.3995 11.4042 11.4042 11.9213 11.9213 11.9475 11.9475 12.3259 12.3259 12.3374 12.3374 k = 0.0556 0.0962 0.1526 ( 6886 PWs) bands (ev): -2.2058 -2.2058 -2.2058 -2.2058 -0.8356 -0.8356 -0.8355 -0.8355 5.1138 5.1138 5.1149 5.1149 5.9328 5.9328 5.9456 5.9456 6.0538 6.0538 6.0665 6.0665 7.4387 7.4387 7.4408 7.4408 7.9021 7.9021 7.9034 7.9034 8.0635 8.0635 8.0638 8.0638 8.5930 8.5930 8.6149 8.6149 8.6590 8.6590 8.6818 8.6818 9.6924 9.6924 9.7331 9.7331 9.9263 9.9263 9.9682 9.9682 10.1365 10.1365 10.1425 10.1425 10.9366 10.9366 10.9446 10.9446 11.3923 11.3923 11.3971 11.3971 11.8395 11.8395 11.8619 11.8619 12.3287 12.3287 12.3389 12.3389 k = 0.0494 0.0855 0.1526 ( 6890 PWs) bands (ev): -2.2248 -2.2248 -2.2248 -2.2248 -0.8419 -0.8419 -0.8419 -0.8419 5.1047 5.1047 5.1055 5.1055 5.9444 5.9444 5.9554 5.9554 6.0436 6.0436 6.0545 6.0545 7.4959 7.4959 7.4975 7.4975 7.8974 7.8974 7.8984 7.8984 8.0591 8.0591 8.0597 8.0597 8.6029 8.6029 8.6186 8.6186 8.6704 8.6704 8.6869 8.6869 9.7593 9.7593 9.7948 9.7948 9.9630 9.9630 10.0021 10.0021 10.1396 10.1396 10.1464 10.1464 10.9651 10.9651 10.9716 10.9716 11.3864 11.3864 11.3912 11.3912 11.7566 11.7566 11.7753 11.7753 12.3386 12.3386 12.3475 12.3475 k = 0.0432 0.0748 0.1526 ( 6880 PWs) bands (ev): -2.2417 -2.2417 -2.2417 -2.2417 -0.8475 -0.8475 -0.8475 -0.8475 5.0964 5.0964 5.0969 5.0969 5.9545 5.9545 5.9637 5.9637 6.0351 6.0351 6.0442 6.0442 7.5513 7.5513 7.5526 7.5526 7.8926 7.8926 7.8933 7.8933 8.0500 8.0500 8.0506 8.0506 8.6128 8.6128 8.6236 8.6236 8.6809 8.6809 8.6923 8.6923 9.8253 9.8253 9.8560 9.8560 9.9988 9.9988 10.0350 10.0350 10.1418 10.1418 10.1494 10.1494 10.9875 10.9875 10.9925 10.9925 11.3812 11.3812 11.3860 11.3860 11.6758 11.6758 11.6909 11.6909 12.3536 12.3536 12.3612 12.3612 k = 0.0370 0.0642 0.1526 ( 6886 PWs) bands (ev): -2.2564 -2.2564 -2.2564 -2.2564 -0.8524 -0.8524 -0.8524 -0.8524 5.0888 5.0888 5.0891 5.0891 5.9629 5.9629 5.9701 5.9701 6.0286 6.0286 6.0357 6.0357 7.6046 7.6046 7.6056 7.6056 7.8880 7.8880 7.8885 7.8885 8.0366 8.0366 8.0372 8.0372 8.6223 8.6223 8.6292 8.6292 8.6904 8.6904 8.6977 8.6977 9.8894 9.8894 9.9152 9.9152 10.0329 10.0329 10.0661 10.0661 10.1432 10.1432 10.1518 10.1518 11.0037 11.0037 11.0073 11.0073 11.3767 11.3767 11.3813 11.3813 11.5998 11.5998 11.6116 11.6116 12.3719 12.3719 12.3781 12.3781 k = 0.0309 0.0535 0.1526 ( 6894 PWs) bands (ev): -2.2690 -2.2690 -2.2690 -2.2690 -0.8566 -0.8566 -0.8566 -0.8566 5.0821 5.0821 5.0823 5.0823 5.9696 5.9696 5.9747 5.9747 6.0240 6.0240 6.0290 6.0290 7.6554 7.6554 7.6561 7.6561 7.8839 7.8839 7.8841 7.8841 8.0194 8.0194 8.0199 8.0199 8.6310 8.6310 8.6350 8.6350 8.6986 8.6986 8.7030 8.7030 9.9498 9.9498 9.9710 9.9710 10.0643 10.0643 10.0944 10.0944 10.1444 10.1444 10.1539 10.1539 11.0138 11.0138 11.0161 11.0161 11.3726 11.3726 11.3769 11.3769 11.5309 11.5309 11.5399 11.5399 12.3921 12.3921 12.3967 12.3967 k = 0.0247 0.0428 0.1526 ( 6890 PWs) bands (ev): -2.2792 -2.2792 -2.2792 -2.2792 -0.8601 -0.8601 -0.8601 -0.8601 5.0765 5.0765 5.0767 5.0767 5.9744 5.9744 5.9774 5.9774 6.0213 6.0213 6.0243 6.0243 7.7031 7.7031 7.7036 7.7036 7.8804 7.8804 7.8805 7.8805 7.9990 7.9990 7.9993 7.9993 8.6383 8.6383 8.6405 8.6405 8.7057 8.7057 8.7079 8.7079 10.0048 10.0048 10.0210 10.0210 10.0920 10.0920 10.1185 10.1185 10.1460 10.1460 10.1564 10.1564 11.0179 11.0179 11.0192 11.0192 11.3688 11.3688 11.3726 11.3726 11.4720 11.4720 11.4784 11.4784 12.4127 12.4127 12.4158 12.4158 k = 0.0185 0.0321 0.1526 ( 6882 PWs) bands (ev): -2.2873 -2.2873 -2.2873 -2.2873 -0.8628 -0.8628 -0.8628 -0.8628 5.0721 5.0721 5.0721 5.0721 5.9773 5.9773 5.9787 5.9787 6.0201 6.0201 6.0215 6.0215 7.7473 7.7473 7.7476 7.7476 7.8777 7.8777 7.8778 7.8778 7.9757 7.9757 7.9759 7.9759 8.6442 8.6442 8.6451 8.6451 8.7113 8.7113 8.7123 8.7123 10.0516 10.0516 10.0624 10.0624 10.1152 10.1152 10.1350 10.1350 10.1509 10.1509 10.1600 10.1600 11.0169 11.0169 11.0175 11.0175 11.3655 11.3655 11.3685 11.3685 11.4252 11.4252 11.4294 11.4294 12.4324 12.4324 12.4340 12.4340 k = 0.0123 0.0214 0.1526 ( 6890 PWs) bands (ev): -2.2930 -2.2930 -2.2930 -2.2930 -0.8647 -0.8647 -0.8647 -0.8647 5.0689 5.0689 5.0689 5.0689 5.9787 5.9787 5.9792 5.9792 6.0197 6.0197 6.0202 6.0202 7.7868 7.7868 7.7869 7.7869 7.8765 7.8765 7.8765 7.8765 7.9504 7.9504 7.9505 7.9505 8.6484 8.6484 8.6486 8.6486 8.7154 8.7154 8.7157 8.7157 10.0869 10.0869 10.0919 10.0919 10.1329 10.1329 10.1415 10.1415 10.1614 10.1614 10.1650 10.1650 11.0129 11.0129 11.0131 11.0131 11.3624 11.3624 11.3643 11.3643 11.3925 11.3925 11.3947 11.3947 12.4493 12.4493 12.4498 12.4498 k = 0.0062 0.0107 0.1526 ( 6880 PWs) bands (ev): -2.2964 -2.2964 -2.2964 -2.2964 -0.8659 -0.8658 -0.8658 -0.8658 5.0669 5.0669 5.0669 5.0669 5.9792 5.9792 5.9793 5.9793 6.0197 6.0197 6.0198 6.0198 7.8182 7.8182 7.8182 7.8182 7.8779 7.8779 7.8779 7.8779 7.9254 7.9254 7.9254 7.9254 8.6508 8.6508 8.6509 8.6509 8.7179 8.7179 8.7179 8.7179 10.1074 10.1074 10.1082 10.1082 10.1442 10.1442 10.1455 10.1455 10.1702 10.1702 10.1707 10.1707 11.0085 11.0085 11.0085 11.0085 11.3590 11.3590 11.3594 11.3594 11.3752 11.3752 11.3757 11.3757 12.4599 12.4599 12.4599 12.4599 k = 0.0000 0.0000 0.1526 ( 6894 PWs) bands (ev): -2.2976 -2.2976 -2.2976 -2.2976 -0.8662 -0.8662 -0.8662 -0.8662 5.0662 5.0662 5.0662 5.0662 5.9793 5.9793 5.9793 5.9793 6.0197 6.0197 6.0197 6.0197 7.8315 7.8315 7.8315 7.8315 7.8815 7.8815 7.8815 7.8815 7.9110 7.9110 7.9110 7.9110 8.6516 8.6516 8.6516 8.6516 8.7187 8.7187 8.7187 8.7187 10.1133 10.1133 10.1133 10.1133 10.1478 10.1478 10.1478 10.1478 10.1733 10.1733 10.1733 10.1733 11.0067 11.0067 11.0067 11.0067 11.3564 11.3564 11.3564 11.3564 11.3708 11.3708 11.3708 11.3708 12.4627 12.4627 12.4627 12.4627 k = 0.5000 0.2887 0.1526 ( 6856 PWs) bands (ev): -1.0836 -1.0836 -1.0836 -1.0836 -0.4151 -0.4151 -0.4151 -0.4151 4.0714 4.0714 4.0714 4.0714 5.7574 5.7574 5.7574 5.7574 6.7803 6.7803 6.7803 6.7803 6.8538 6.8538 6.8538 6.8538 7.0693 7.0693 7.0693 7.0693 7.8061 7.8061 7.8061 7.8061 8.0620 8.0620 8.0620 8.0620 8.5654 8.5654 8.5654 8.5654 8.9136 8.9136 8.9136 8.9136 8.9856 8.9856 8.9856 8.9856 9.6957 9.6957 9.6957 9.6957 10.0630 10.0630 10.0630 10.0630 12.1317 12.1317 12.1317 12.1317 12.6183 12.6183 12.6183 12.6183 12.8905 12.8905 12.8905 12.8905 k = 0.5000 0.2887 0.1408 ( 6864 PWs) bands (ev): -1.0853 -1.0853 -1.0819 -1.0819 -0.4159 -0.4159 -0.4142 -0.4142 4.0428 4.0428 4.1013 4.1013 5.7049 5.7049 5.8097 5.8097 6.7667 6.7667 6.7834 6.7834 6.8486 6.8486 6.8688 6.8688 7.0546 7.0546 7.0848 7.0848 7.8009 7.8009 7.8110 7.8110 8.0254 8.0254 8.0972 8.0972 8.5633 8.5633 8.5677 8.5677 8.8893 8.8893 8.9342 8.9342 8.9710 8.9710 9.0054 9.0054 9.6937 9.6937 9.6992 9.6992 10.0499 10.0499 10.0738 10.0738 12.0739 12.0739 12.1918 12.1918 12.5968 12.5968 12.6395 12.6395 12.8709 12.8709 12.9085 12.9085 k = 0.5000 0.2887 0.1291 ( 6870 PWs) bands (ev): -1.0869 -1.0869 -1.0803 -1.0803 -0.4167 -0.4167 -0.4134 -0.4134 4.0160 4.0160 4.1325 4.1325 5.6526 5.6526 5.8616 5.8616 6.7452 6.7452 6.7785 6.7785 6.8528 6.8528 6.8895 6.8895 7.0410 7.0410 7.1011 7.1011 7.7954 7.7954 7.8154 7.8154 7.9877 7.9877 8.1304 8.1304 8.5613 8.5613 8.5703 8.5703 8.8645 8.8645 8.9355 8.9355 8.9772 8.9772 9.0266 9.0266 9.6933 9.6933 9.7041 9.7041 10.0350 10.0350 10.0820 10.0820 12.0191 12.0191 12.2537 12.2537 12.5749 12.5749 12.6601 12.6601 12.8504 12.8504 12.9243 12.9243 k = 0.5000 0.2887 0.1174 ( 6872 PWs) bands (ev): -1.0885 -1.0885 -1.0787 -1.0787 -0.4175 -0.4175 -0.4126 -0.4126 3.9910 3.9910 4.1646 4.1646 5.6010 5.6010 5.9130 5.9130 6.7190 6.7190 6.7703 6.7703 6.8617 6.8617 6.9122 6.9122 7.0287 7.0287 7.1178 7.1178 7.7897 7.7897 7.8195 7.8195 7.9496 7.9496 8.1614 8.1614 8.5596 8.5596 8.5731 8.5731 8.8402 8.8402 8.9222 8.9222 8.9995 8.9995 9.0484 9.0484 9.6948 9.6948 9.7103 9.7103 10.0184 10.0184 10.0874 10.0874 11.9678 11.9678 12.3164 12.3164 12.5529 12.5529 12.6803 12.6803 12.8300 12.8300 12.9373 12.9373 k = 0.5000 0.2887 0.1056 ( 6874 PWs) bands (ev): -1.0900 -1.0900 -1.0771 -1.0771 -0.4183 -0.4183 -0.4119 -0.4119 3.9680 3.9680 4.1972 4.1972 5.5503 5.5503 5.9635 5.9635 6.6902 6.6902 6.7612 6.7612 6.8722 6.8722 6.9353 6.9353 7.0179 7.0179 7.1347 7.1347 7.7836 7.7836 7.8229 7.8229 7.9116 7.9116 8.1898 8.1898 8.5580 8.5580 8.5763 8.5763 8.8166 8.8166 8.9078 8.9078 9.0242 9.0242 9.0699 9.0699 9.6981 9.6981 9.7177 9.7177 10.0006 10.0006 10.0898 10.0898 11.9206 11.9206 12.3791 12.3791 12.5310 12.5310 12.6999 12.6999 12.8104 12.8104 12.9471 12.9471 k = 0.5000 0.2887 0.0939 ( 6870 PWs) bands (ev): -1.0914 -1.0914 -1.0757 -1.0757 -0.4190 -0.4190 -0.4112 -0.4112 3.9471 3.9471 4.2298 4.2298 5.5013 5.5013 6.0131 6.0131 6.6596 6.6596 6.7523 6.7523 6.8832 6.8832 6.9574 6.9574 7.0090 7.0090 7.1516 7.1516 7.7772 7.7772 7.8254 7.8254 7.8751 7.8751 8.2155 8.2155 8.5566 8.5566 8.5798 8.5798 8.7940 8.7940 8.8945 8.8945 9.0489 9.0489 9.0907 9.0907 9.7035 9.7035 9.7262 9.7262 9.9818 9.9818 10.0891 10.0891 11.8778 11.8778 12.4401 12.4401 12.5104 12.5104 12.7189 12.7189 12.7922 12.7922 12.9534 12.9535 k = 0.5000 0.2887 0.0822 ( 6878 PWs) bands (ev): -1.0927 -1.0927 -1.0743 -1.0743 -0.4197 -0.4197 -0.4106 -0.4106 3.9285 3.9285 4.2619 4.2619 5.4545 5.4545 6.0615 6.0615 6.6276 6.6276 6.7440 6.7440 6.8939 6.8939 6.9764 6.9764 7.0037 7.0037 7.1683 7.1683 7.7700 7.7700 7.8235 7.8235 7.8446 7.8446 8.2384 8.2384 8.5553 8.5553 8.5836 8.5836 8.7727 8.7727 8.8827 8.8827 9.0728 9.0728 9.1101 9.1101 9.7110 9.7110 9.7358 9.7358 9.9623 9.9623 10.0853 10.0853 11.8398 11.8398 12.4805 12.4805 12.5092 12.5092 12.7368 12.7368 12.7761 12.7761 12.9564 12.9564 k = 0.5000 0.2887 0.0704 ( 6882 PWs) bands (ev): -1.0939 -1.0939 -1.0731 -1.0731 -0.4203 -0.4203 -0.4100 -0.4100 3.9122 3.9122 4.2928 4.2928 5.4107 5.4107 6.1088 6.1088 6.5945 6.5945 6.7364 6.7364 6.9040 6.9040 6.9839 6.9839 7.0097 7.0097 7.1843 7.1843 7.7603 7.7603 7.8033 7.8033 7.8364 7.8364 8.2582 8.2582 8.5542 8.5542 8.5876 8.5876 8.7528 8.7528 8.8725 8.8725 9.0952 9.0952 9.1278 9.1278 9.7205 9.7205 9.7462 9.7462 9.9425 9.9425 10.0787 10.0787 11.8069 11.8069 12.4660 12.4660 12.5610 12.5610 12.7510 12.7510 12.7650 12.7650 12.9565 12.9565 k = 0.5000 0.2887 0.0587 ( 6874 PWs) bands (ev): -1.0949 -1.0949 -1.0721 -1.0721 -0.4209 -0.4209 -0.4095 -0.4095 3.8982 3.8982 4.3217 4.3217 5.3708 5.3708 6.1549 6.1549 6.5603 6.5603 6.7299 6.7299 6.9131 6.9131 6.9813 6.9813 7.0251 7.0251 7.1996 7.1996 7.7446 7.7446 7.7829 7.7829 7.8371 7.8371 8.2750 8.2750 8.5533 8.5533 8.5921 8.5921 8.7348 8.7348 8.8639 8.8639 9.1157 9.1157 9.1431 9.1431 9.7320 9.7320 9.7573 9.7573 9.9224 9.9224 10.0699 10.0699 11.7790 11.7790 12.4488 12.4488 12.6123 12.6123 12.7468 12.7468 12.7739 12.7739 12.9546 12.9546 k = 0.5000 0.2887 0.0469 ( 6854 PWs) bands (ev): -1.0957 -1.0957 -1.0712 -1.0712 -0.4213 -0.4213 -0.4091 -0.4091 3.8868 3.8868 4.3476 4.3476 5.3357 5.3357 6.1996 6.1996 6.5254 6.5254 6.7244 6.7244 6.9209 6.9209 6.9775 6.9775 7.0406 7.0406 7.2136 7.2136 7.7226 7.7226 7.7719 7.7719 7.8384 7.8384 8.2888 8.2888 8.5525 8.5525 8.5967 8.5967 8.7188 8.7188 8.8569 8.8569 9.1336 9.1336 9.1558 9.1558 9.7450 9.7450 9.7688 9.7688 9.9023 9.9023 10.0596 10.0596 11.7564 11.7564 12.4336 12.4336 12.6571 12.6571 12.7388 12.7388 12.7882 12.7882 12.9514 12.9514 k = 0.5000 0.2887 0.0352 ( 6840 PWs) bands (ev): -1.0964 -1.0964 -1.0705 -1.0705 -0.4217 -0.4217 -0.4088 -0.4088 3.8778 3.8778 4.3695 4.3695 5.3068 5.3068 6.2428 6.2428 6.4897 6.4897 6.7201 6.7201 6.9272 6.9272 6.9742 6.9742 7.0536 7.0536 7.2257 7.2257 7.7006 7.7006 7.7659 7.7659 7.8396 7.8396 8.2994 8.2994 8.5520 8.5520 8.6012 8.6012 8.7052 8.7052 8.8515 8.8515 9.1486 9.1486 9.1654 9.1654 9.7586 9.7586 9.7806 9.7806 9.8825 9.8825 10.0490 10.0490 11.7389 11.7389 12.4212 12.4212 12.6912 12.6912 12.7352 12.7352 12.8011 12.8011 12.9475 12.9475 k = 0.5000 0.2887 0.0235 ( 6842 PWs) bands (ev): -1.0969 -1.0969 -1.0699 -1.0699 -0.4219 -0.4219 -0.4085 -0.4085 3.8714 3.8714 4.3861 4.3861 5.2850 5.2850 6.2841 6.2841 6.4537 6.4537 6.7170 6.7170 6.9319 6.9319 6.9718 6.9718 7.0634 7.0634 7.2353 7.2353 7.6828 7.6828 7.7622 7.7622 7.8405 7.8405 8.3070 8.3070 8.5515 8.5515 8.6054 8.6054 8.6945 8.6945 8.8476 8.8476 9.1603 9.1603 9.1718 9.1718 9.7712 9.7712 9.7929 9.7929 9.8633 9.8633 10.0397 10.0397 11.7265 11.7265 12.4120 12.4120 12.7078 12.7078 12.7418 12.7418 12.8115 12.8115 12.9436 12.9436 k = 0.5000 0.2887 0.0117 ( 6838 PWs) bands (ev): -1.0972 -1.0972 -1.0696 -1.0696 -0.4221 -0.4221 -0.4084 -0.4084 3.8675 3.8675 4.3966 4.3966 5.2714 5.2714 6.3218 6.3218 6.4192 6.4192 6.7151 6.7151 6.9348 6.9348 6.9704 6.9704 7.0694 7.0694 7.2415 7.2415 7.6713 7.6713 7.7602 7.7602 7.8411 7.8411 8.3116 8.3116 8.5512 8.5512 8.6084 8.6084 8.6876 8.6876 8.8453 8.8453 9.1684 9.1684 9.1747 9.1747 9.7802 9.7802 9.8063 9.8063 9.8452 9.8452 10.0331 10.0331 11.7191 11.7191 12.4063 12.4063 12.7104 12.7104 12.7536 12.7536 12.8183 12.8183 12.9407 12.9407 k = 0.5000 0.2887-0.0000 ( 6838 PWs) bands (ev): -1.0973 -1.0973 -1.0695 -1.0695 -0.4222 -0.4222 -0.4084 -0.4084 3.8662 3.8662 4.4002 4.4002 5.2668 5.2668 6.3433 6.3433 6.3988 6.3988 6.7145 6.7145 6.9357 6.9357 6.9699 6.9699 7.0715 7.0715 7.2437 7.2437 7.6673 7.6673 7.7596 7.7596 7.8413 7.8413 8.3131 8.3131 8.5512 8.5512 8.6095 8.6095 8.6851 8.6851 8.8446 8.8446 9.1719 9.1719 9.1749 9.1749 9.7833 9.7833 9.8161 9.8161 9.8338 9.8338 10.0308 10.0308 11.7166 11.7166 12.4044 12.4044 12.7105 12.7105 12.7585 12.7585 12.8207 12.8207 12.9396 12.9396 k = 0.3333 0.5774-0.0000 ( 6840 PWs) bands (ev): -0.9307 -0.9307 -0.9252 -0.9252 -0.3424 -0.3424 -0.3263 -0.3263 4.5910 4.5910 4.6788 4.6788 5.3289 5.3289 5.3580 5.3580 6.2653 6.2653 6.2672 6.2672 6.6524 6.6524 6.7044 6.7044 6.9811 6.9811 7.0035 7.0035 7.0941 7.0941 7.2422 7.2422 8.0709 8.0709 8.2375 8.2375 8.5695 8.5695 8.6209 8.6209 8.8429 8.8429 8.8654 8.8654 8.9748 8.9748 9.6970 9.6970 9.8067 9.8067 9.8816 9.8816 9.9995 9.9995 11.3247 11.3247 11.4192 11.4192 11.4684 11.4684 12.4666 12.4666 12.5082 12.5082 12.5322 12.5322 12.5789 12.5789 k = 0.3333 0.5774 0.0117 ( 6837 PWs) bands (ev): -0.9307 -0.9307 -0.9252 -0.9252 -0.3424 -0.3424 -0.3263 -0.3263 4.5912 4.5912 4.6786 4.6786 5.3288 5.3288 5.3580 5.3580 6.2661 6.2661 6.2684 6.2684 6.6503 6.6503 6.7013 6.7013 6.9825 6.9825 7.0056 7.0056 7.0946 7.0946 7.2415 7.2415 8.0709 8.0709 8.2375 8.2375 8.5694 8.5694 8.6206 8.6206 8.8431 8.8431 8.8675 8.8675 8.9748 8.9748 9.6949 9.6949 9.8065 9.8065 9.8589 9.8589 10.0249 10.0249 11.3247 11.3247 11.4212 11.4212 11.4640 11.4640 12.4368 12.4368 12.4754 12.4754 12.5443 12.5443 12.6024 12.6024 k = 0.3333 0.5774 0.0235 ( 6843 PWs) bands (ev): -0.9307 -0.9307 -0.9252 -0.9252 -0.3422 -0.3422 -0.3265 -0.3265 4.5919 4.5919 4.6780 4.6780 5.3286 5.3286 5.3579 5.3579 6.2687 6.2687 6.2718 6.2718 6.6439 6.6439 6.6926 6.6926 6.9866 6.9866 7.0116 7.0116 7.0959 7.0959 7.2395 7.2395 8.0710 8.0710 8.2375 8.2375 8.5691 8.5691 8.6197 8.6197 8.8436 8.8436 8.8741 8.8741 8.9750 8.9750 9.6876 9.6876 9.8061 9.8061 9.8171 9.8171 10.0760 10.0760 11.3237 11.3237 11.4272 11.4272 11.4523 11.4523 12.3836 12.3836 12.4193 12.4193 12.5655 12.5655 12.6517 12.6517 k = 0.3333 0.5774 0.0352 ( 6858 PWs) bands (ev): -0.9307 -0.9307 -0.9252 -0.9252 -0.3419 -0.3419 -0.3268 -0.3268 4.5929 4.5929 4.6770 4.6770 5.3282 5.3282 5.3577 5.3577 6.2729 6.2729 6.2776 6.2776 6.6338 6.6338 6.6789 6.6789 6.9930 6.9930 7.0206 7.0206 7.0982 7.0982 7.2361 7.2361 8.0710 8.0710 8.2376 8.2376 8.5686 8.5686 8.6182 8.6182 8.8444 8.8444 8.8849 8.8849 8.9752 8.9752 9.6709 9.6709 9.7787 9.7787 9.8054 9.8054 10.1345 10.1345 11.3182 11.3182 11.4371 11.4371 11.4378 11.4378 12.3261 12.3261 12.3596 12.3596 12.5953 12.5953 12.7069 12.7069 k = 0.3333 0.5774 0.0469 ( 6861 PWs) bands (ev): -0.9307 -0.9307 -0.9252 -0.9252 -0.3415 -0.3415 -0.3272 -0.3272 4.5943 4.5943 4.6757 4.6757 5.3277 5.3277 5.3575 5.3575 6.2787 6.2787 6.2855 6.2855 6.6207 6.6207 6.6613 6.6613 7.0009 7.0009 7.0318 7.0318 7.1013 7.1013 7.2315 7.2315 8.0711 8.0711 8.2376 8.2376 8.5680 8.5680 8.6162 8.6162 8.8454 8.8454 8.9000 8.9000 8.9756 8.9756 9.6396 9.6396 9.7531 9.7531 9.8045 9.8045 10.1961 10.1961 11.3020 11.3020 11.4282 11.4282 11.4508 11.4508 12.2680 12.2680 12.2994 12.2994 12.6336 12.6336 12.7626 12.7626 k = 0.3333 0.5774 0.0587 ( 6855 PWs) bands (ev): -0.9307 -0.9307 -0.9252 -0.9252 -0.3410 -0.3410 -0.3277 -0.3277 4.5959 4.5959 4.6741 4.6741 5.3271 5.3271 5.3572 5.3572 6.2859 6.2859 6.2957 6.2957 6.6054 6.6054 6.6407 6.6407 7.0096 7.0096 7.0439 7.0439 7.1053 7.1053 7.2259 7.2259 8.0712 8.0712 8.2377 8.2377 8.5672 8.5672 8.6140 8.6140 8.8466 8.8466 8.9190 8.9190 8.9761 8.9761 9.5962 9.5962 9.7395 9.7395 9.8035 9.8035 10.2596 10.2596 11.2710 11.2710 11.4290 11.4290 11.4681 11.4681 12.2106 12.2106 12.2397 12.2397 12.6792 12.6792 12.8170 12.8170 k = 0.3333 0.5774 0.0704 ( 6852 PWs) bands (ev): -0.9307 -0.9307 -0.9252 -0.9252 -0.3404 -0.3404 -0.3283 -0.3283 4.5979 4.5979 4.6722 4.6722 5.3265 5.3265 5.3569 5.3569 6.2945 6.2945 6.3078 6.3078 6.5885 6.5885 6.6181 6.6181 7.0186 7.0186 7.0563 7.0563 7.1102 7.1102 7.2193 7.2193 8.0713 8.0713 8.2377 8.2377 8.5663 8.5663 8.6115 8.6115 8.8479 8.8479 8.9417 8.9417 8.9769 8.9769 9.5468 9.5468 9.7322 9.7322 9.8023 9.8023 10.3242 10.3242 11.2275 11.2275 11.4392 11.4392 11.4888 11.4888 12.1547 12.1547 12.1813 12.1813 12.7306 12.7306 12.8690 12.8691 k = 0.3333 0.5774 0.0822 ( 6858 PWs) bands (ev): -0.9307 -0.9307 -0.9252 -0.9252 -0.3397 -0.3397 -0.3290 -0.3290 4.6000 4.6000 4.6701 4.6701 5.3258 5.3258 5.3565 5.3565 6.3043 6.3043 6.3219 6.3219 6.5707 6.5707 6.5941 6.5941 7.0272 7.0272 7.0682 7.0682 7.1158 7.1158 7.2120 7.2120 8.0714 8.0714 8.2378 8.2378 8.5653 8.5653 8.6089 8.6089 8.8492 8.8492 8.9658 8.9658 8.9800 8.9800 9.4952 9.4952 9.7278 9.7278 9.8012 9.8012 10.3898 10.3898 11.1757 11.1757 11.4554 11.4554 11.5124 11.5124 12.1010 12.1010 12.1246 12.1246 12.7863 12.7863 12.9179 12.9179 k = 0.3333 0.5774 0.0939 ( 6852 PWs) bands (ev): -0.9307 -0.9307 -0.9252 -0.9252 -0.3390 -0.3390 -0.3298 -0.3298 4.6022 4.6022 4.6680 4.6680 5.3252 5.3252 5.3562 5.3562 6.3148 6.3148 6.3379 6.3379 6.5529 6.5529 6.5693 6.5693 7.0351 7.0351 7.0790 7.0790 7.1222 7.1222 7.2041 7.2041 8.0715 8.0715 8.2378 8.2378 8.5643 8.5643 8.6065 8.6065 8.8505 8.8505 8.9748 8.9748 9.0017 9.0017 9.4433 9.4433 9.7248 9.7248 9.8001 9.8001 10.4561 10.4561 11.1185 11.1185 11.4753 11.4753 11.5386 11.5386 12.0504 12.0504 12.0703 12.0703 12.8453 12.8453 12.9624 12.9624 k = 0.3333 0.5774 0.1056 ( 6855 PWs) bands (ev): -0.9307 -0.9307 -0.9252 -0.9252 -0.3381 -0.3381 -0.3306 -0.3306 4.6043 4.6043 4.6660 4.6660 5.3246 5.3246 5.3559 5.3559 6.3256 6.3256 6.3554 6.3554 6.5356 6.5356 6.5441 6.5441 7.0419 7.0419 7.0884 7.0884 7.1291 7.1291 7.1959 7.1959 8.0715 8.0715 8.2379 8.2379 8.5634 8.5634 8.6043 8.6043 8.8516 8.8516 8.9760 8.9760 9.0345 9.0345 9.3917 9.3917 9.7226 9.7226 9.7990 9.7990 10.5229 10.5229 11.0575 11.0575 11.4971 11.4971 11.5663 11.5663 12.0040 12.0040 12.0195 12.0195 12.9065 12.9065 13.0016 13.0016 k = 0.3333 0.5774 0.1174 ( 6849 PWs) bands (ev): -0.9307 -0.9307 -0.9252 -0.9252 -0.3372 -0.3372 -0.3315 -0.3315 4.6062 4.6062 4.6641 4.6641 5.3241 5.3241 5.3557 5.3557 6.3362 6.3362 6.3744 6.3744 6.5190 6.5190 6.5199 6.5199 7.0474 7.0474 7.0960 7.0960 7.1365 7.1365 7.1874 7.1874 8.0716 8.0716 8.2380 8.2380 8.5626 8.5626 8.6024 8.6024 8.8526 8.8526 8.9765 8.9765 9.0707 9.0707 9.3412 9.3412 9.7211 9.7211 9.7982 9.7982 10.5901 10.5901 10.9941 10.9941 11.5187 11.5187 11.5943 11.5943 11.9634 11.9634 11.9734 11.9734 12.9689 12.9689 13.0343 13.0343 k = 0.3333 0.5774 0.1291 ( 6876 PWs) bands (ev): -0.9307 -0.9307 -0.9252 -0.9252 -0.3363 -0.3363 -0.3324 -0.3324 4.6077 4.6077 4.6626 4.6626 5.3237 5.3237 5.3555 5.3555 6.3454 6.3454 6.3943 6.3943 6.4946 6.4946 6.5068 6.5068 7.0515 7.0515 7.1016 7.1016 7.1441 7.1441 7.1789 7.1789 8.0717 8.0717 8.2380 8.2380 8.5619 8.5619 8.6009 8.6009 8.8533 8.8533 8.9768 8.9768 9.1097 9.1097 9.2921 9.2921 9.7200 9.7200 9.7975 9.7975 10.6574 10.6574 10.9291 10.9291 11.5378 11.5378 11.6201 11.6201 11.9308 11.9309 11.9347 11.9347 13.0310 13.0310 13.0597 13.0597 k = 0.3333 0.5774 0.1408 ( 6876 PWs) bands (ev): -0.9307 -0.9307 -0.9252 -0.9252 -0.3354 -0.3354 -0.3334 -0.3334 4.6087 4.6087 4.6616 4.6616 5.3235 5.3235 5.3554 5.3554 6.3519 6.3519 6.4139 6.4139 6.4723 6.4723 6.4980 6.4980 7.0539 7.0539 7.1051 7.1051 7.1518 7.1518 7.1707 7.1707 8.0717 8.0717 8.2380 8.2380 8.5615 8.5615 8.6001 8.6001 8.8537 8.8537 8.9770 8.9770 9.1506 9.1506 9.2452 9.2452 9.7193 9.7193 9.7971 9.7971 10.7241 10.7241 10.8637 10.8637 11.5513 11.5513 11.6396 11.6396 11.9075 11.9075 11.9093 11.9093 13.0715 13.0715 13.0953 13.0976 k = 0.3333 0.5774 0.1526 ( 6864 PWs) bands (ev): -0.9307 -0.9307 -0.9252 -0.9252 -0.3346 -0.3346 -0.3342 -0.3342 4.6090 4.6090 4.6613 4.6613 5.3234 5.3234 5.3554 5.3554 6.3543 6.3543 6.4256 6.4256 6.4596 6.4596 6.4948 6.4948 7.0548 7.0548 7.1062 7.1062 7.1570 7.1570 7.1654 7.1654 8.0717 8.0717 8.2380 8.2380 8.5614 8.5614 8.5998 8.5998 8.8539 8.8539 8.9771 8.9771 9.1829 9.1829 9.2109 9.2109 9.7191 9.7191 9.7969 9.7969 10.7763 10.7763 10.8118 10.8118 11.5562 11.5562 11.6471 11.6471 11.8974 11.8974 11.9017 11.9017 13.0778 13.0778 13.1099 13.1099 Writing output data file Zr2NiAs2.save init_run : 0.38s CPU 0.51s WALL ( 1 calls) electrons : 374.20s CPU 378.86s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.02s CPU 0.05s WALL ( 1 calls) Called by electrons: c_bands : 374.19s CPU 378.85s 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 : 0.03s CPU 0.06s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.08s CPU 0.12s WALL ( 304 calls) cegterg : 340.24s CPU 343.97s WALL ( 607 calls) Called by sum_band: Called by *egterg: h_psi : 199.80s CPU 202.48s WALL ( 9419 calls) s_psi : 11.57s CPU 11.81s WALL ( 9419 calls) g_psi : 0.68s CPU 0.69s WALL ( 8508 calls) cdiaghg : 103.63s CPU 104.74s WALL ( 8812 calls) cegterg:over : 19.74s CPU 19.53s WALL ( 8508 calls) cegterg:upda : 17.54s CPU 17.73s WALL ( 8508 calls) cegterg:last : 9.55s CPU 9.61s WALL ( 1624 calls) cdiaghg:chol : 6.04s CPU 6.12s WALL ( 8812 calls) cdiaghg:inve : 4.20s CPU 4.44s WALL ( 8812 calls) cdiaghg:para : 7.46s CPU 7.40s WALL ( 17624 calls) Called by h_psi: h_psi:vloc : 168.16s CPU 170.81s WALL ( 9419 calls) h_psi:vnl : 31.00s CPU 30.93s WALL ( 9419 calls) add_vuspsi : 14.98s CPU 15.07s WALL ( 9419 calls) General routines calbec : 15.99s CPU 15.84s WALL ( 9419 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 157.78s CPU 160.30s WALL ( 1408620 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.31s CPU 0.40s WALL ( 608 calls) Parallel routines fft_scatter : 47.95s CPU 49.26s WALL ( 1408643 calls) PWSCF : 6m39.59s CPU 6m59.24s WALL This run was terminated on: 20:37:51 24Dec2016 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=