Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 17:40:17 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: ./Cu2S.save/ file Cu.rel-pbe-dn-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 18 5 1006 672 109 Max 25 19 6 1011 701 118 Sum 877 673 199 36325 24859 4055 bravais-lattice index = 14 lattice parameter (alat) = 7.3510 a.u. unit-cell volume = 590.7487 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 2 number of electrons = 56.00 number of Kohn-Sham states= 68 kinetic-energy cutoff = 46.0000 Ry charge density cutoff = 237.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.351034 celldm(2)= 1.000000 celldm(3)= 1.717224 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.500000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.500000 0.866025 0.000000 ) a(3) = ( 0.000000 0.000000 1.717224 ) 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 0.582335 ) PseudoPot. # 1 for S read from file: /users/gautes/Pseudo/S.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 95f1324244b600346090892298cb4451 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1151 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Cu read from file: /users/gautes/Pseudo/Cu.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: bfb9b73be46f5385f72b338ff57911ad Pseudo is Ultrasoft + core correction, Zval = 11.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1199 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 S 6.00 32.06500 S( 1.00) Cu 11.00 63.54600 Cu( 1.00) 24 Sym. Ops., with inversion, found (12 have fractional translation) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) f =( 0.0000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s( 2) = ( -1.0000000 -0.0000000 0.0000000 ) f =( 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.8586118 ) isym = 3 180 deg rotation - cart. axis [0,1,0] cryst. s( 3) = ( -1 0 0 ) f =( 0.0000000 ) ( 1 1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s( 3) = ( -1.0000000 0.0000000 -0.0000000 ) f =( 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.8586118 ) isym = 4 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( 1 0 0 ) ( -1 -1 0 ) ( 0 0 -1 ) cart. s( 4) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 5 60 deg rotation - cryst. axis [0,0,1] cryst. s( 5) = ( 1 1 0 ) f =( 0.0000000 ) ( -1 0 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s( 5) = ( 0.5000000 -0.8660254 0.0000000 ) f =( 0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.8586118 ) isym = 6 60 deg rotation - cryst. axis [0,0,-1] cryst. s( 6) = ( 0 -1 0 ) f =( 0.0000000 ) ( 1 1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s( 6) = ( 0.5000000 0.8660254 -0.0000000 ) f =( 0.0000000 ) ( -0.8660254 0.5000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.8586118 ) isym = 7 120 deg rotation - cryst. axis [0,0,1] cryst. s( 7) = ( 0 1 0 ) ( -1 -1 0 ) ( 0 0 1 ) cart. s( 7) = ( -0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 8 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 8) = ( -1 -1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s( 8) = ( -0.5000000 0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 9 180 deg rotation - cryst. axis [1,-1,0] cryst. s( 9) = ( 0 -1 0 ) f =( 0.0000000 ) ( -1 0 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s( 9) = ( 0.5000000 -0.8660254 0.0000000 ) f =( 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.8586118 ) isym = 10 180 deg rotation - cryst. axis [2,1,0] cryst. s(10) = ( 1 1 0 ) f =( 0.0000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s(10) = ( 0.5000000 0.8660254 -0.0000000 ) f =( 0.0000000 ) ( 0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.8586118 ) isym = 11 180 deg rotation - cryst. axis [0,1,0] cryst. s(11) = ( -1 -1 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s(11) = ( -0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 12 180 deg rotation - cryst. axis [1,1,0] cryst. s(12) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s(12) = ( -0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 13 inversion cryst. s(13) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s(13) = ( -1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 14 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s(14) = ( 1 0 0 ) f =( 0.0000000 ) ( 0 1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s(14) = ( 1.0000000 0.0000000 -0.0000000 ) f =( 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.8586118 ) isym = 15 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s(15) = ( 1 0 0 ) f =( 0.0000000 ) ( -1 -1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s(15) = ( 1.0000000 -0.0000000 0.0000000 ) f =( 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.8586118 ) isym = 16 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s(16) = ( -1 0 0 ) ( 1 1 0 ) ( 0 0 1 ) cart. s(16) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 17 inv. 60 deg rotation - cryst. axis [0,0,1] cryst. s(17) = ( -1 -1 0 ) f =( 0.0000000 ) ( 1 0 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s(17) = ( -0.5000000 0.8660254 -0.0000000 ) f =( 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.8586118 ) isym = 18 inv. 60 deg rotation - cryst. axis [0,0,-1] cryst. s(18) = ( 0 1 0 ) f =( 0.0000000 ) ( -1 -1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s(18) = ( -0.5000000 -0.8660254 0.0000000 ) f =( 0.0000000 ) ( 0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.8586118 ) isym = 19 inv. 120 deg rotation - cryst. axis [0,0,1] cryst. s(19) = ( 0 -1 0 ) ( 1 1 0 ) ( 0 0 -1 ) cart. s(19) = ( 0.5000000 0.8660254 -0.0000000 ) ( -0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 20 inv. 120 deg rotation - cryst. axis [0,0,-1] cryst. s(20) = ( 1 1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s(20) = ( 0.5000000 -0.8660254 -0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 21 inv. 180 deg rotation - cryst. axis [1,-1,0] cryst. s(21) = ( 0 1 0 ) f =( 0.0000000 ) ( 1 0 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s(21) = ( -0.5000000 0.8660254 0.0000000 ) f =( 0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.8586118 ) isym = 22 inv. 180 deg rotation - cryst. axis [2,1,0] cryst. s(22) = ( -1 -1 0 ) f =( 0.0000000 ) ( 0 1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s(22) = ( -0.5000000 -0.8660254 0.0000000 ) f =( 0.0000000 ) ( -0.8660254 0.5000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.8586118 ) 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= 337 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029674 k( 2) = ( 0.0106383 0.0061420 -0.0000000), wk = 0.0029674 k( 3) = ( 0.0212766 0.0122841 -0.0000000), wk = 0.0029674 k( 4) = ( 0.0319149 0.0184261 -0.0000000), wk = 0.0029674 k( 5) = ( 0.0425532 0.0245681 -0.0000000), wk = 0.0029674 k( 6) = ( 0.0531915 0.0307101 -0.0000000), wk = 0.0029674 k( 7) = ( 0.0638298 0.0368521 -0.0000000), wk = 0.0029674 k( 8) = ( 0.0744681 0.0429942 -0.0000000), wk = 0.0029674 k( 9) = ( 0.0851064 0.0491362 -0.0000000), wk = 0.0029674 k( 10) = ( 0.0957447 0.0552782 -0.0000000), wk = 0.0029674 k( 11) = ( 0.1063830 0.0614202 -0.0000000), wk = 0.0029674 k( 12) = ( 0.1170213 0.0675623 -0.0000000), wk = 0.0029674 k( 13) = ( 0.1276596 0.0737043 -0.0000000), wk = 0.0029674 k( 14) = ( 0.1382979 0.0798463 -0.0000000), wk = 0.0029674 k( 15) = ( 0.1489362 0.0859883 -0.0000000), wk = 0.0029674 k( 16) = ( 0.1595745 0.0921304 -0.0000000), wk = 0.0029674 k( 17) = ( 0.1702128 0.0982724 -0.0000000), wk = 0.0029674 k( 18) = ( 0.1808511 0.1044144 -0.0000000), wk = 0.0029674 k( 19) = ( 0.1914894 0.1105564 -0.0000000), wk = 0.0029674 k( 20) = ( 0.2021277 0.1166985 -0.0000000), wk = 0.0029674 k( 21) = ( 0.2127660 0.1228405 -0.0000000), wk = 0.0029674 k( 22) = ( 0.2234043 0.1289825 -0.0000000), wk = 0.0029674 k( 23) = ( 0.2340425 0.1351245 -0.0000000), wk = 0.0029674 k( 24) = ( 0.2446809 0.1412666 -0.0000000), wk = 0.0029674 k( 25) = ( 0.2553191 0.1474086 -0.0000000), wk = 0.0029674 k( 26) = ( 0.2659574 0.1535506 -0.0000000), wk = 0.0029674 k( 27) = ( 0.2765957 0.1596926 -0.0000000), wk = 0.0029674 k( 28) = ( 0.2872340 0.1658347 -0.0000000), wk = 0.0029674 k( 29) = ( 0.2978723 0.1719767 -0.0000000), wk = 0.0029674 k( 30) = ( 0.3085106 0.1781187 -0.0000000), wk = 0.0029674 k( 31) = ( 0.3191489 0.1842607 -0.0000000), wk = 0.0029674 k( 32) = ( 0.3297872 0.1904027 -0.0000000), wk = 0.0029674 k( 33) = ( 0.3404255 0.1965448 -0.0000000), wk = 0.0029674 k( 34) = ( 0.3510638 0.2026868 -0.0000000), wk = 0.0029674 k( 35) = ( 0.3617021 0.2088288 -0.0000000), wk = 0.0029674 k( 36) = ( 0.3723404 0.2149708 -0.0000000), wk = 0.0029674 k( 37) = ( 0.3829787 0.2211129 -0.0000000), wk = 0.0029674 k( 38) = ( 0.3936170 0.2272549 -0.0000000), wk = 0.0029674 k( 39) = ( 0.4042553 0.2333969 -0.0000000), wk = 0.0029674 k( 40) = ( 0.4148936 0.2395389 -0.0000000), wk = 0.0029674 k( 41) = ( 0.4255319 0.2456810 -0.0000000), wk = 0.0029674 k( 42) = ( 0.4361702 0.2518230 -0.0000000), wk = 0.0029674 k( 43) = ( 0.4468085 0.2579650 -0.0000000), wk = 0.0029674 k( 44) = ( 0.4574468 0.2641070 -0.0000000), wk = 0.0029674 k( 45) = ( 0.4680851 0.2702491 -0.0000000), wk = 0.0029674 k( 46) = ( 0.4787234 0.2763911 -0.0000000), wk = 0.0029674 k( 47) = ( 0.4893617 0.2825331 -0.0000000), wk = 0.0029674 k( 48) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0029674 k( 49) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0029674 k( 50) = ( 0.4938272 0.2993668 -0.0000000), wk = 0.0029674 k( 51) = ( 0.4876543 0.3100585 -0.0000000), wk = 0.0029674 k( 52) = ( 0.4814815 0.3207502 -0.0000000), wk = 0.0029674 k( 53) = ( 0.4753086 0.3314418 -0.0000000), wk = 0.0029674 k( 54) = ( 0.4691358 0.3421335 -0.0000000), wk = 0.0029674 k( 55) = ( 0.4629630 0.3528252 -0.0000000), wk = 0.0029674 k( 56) = ( 0.4567901 0.3635168 -0.0000000), wk = 0.0029674 k( 57) = ( 0.4506173 0.3742085 -0.0000000), wk = 0.0029674 k( 58) = ( 0.4444444 0.3849002 -0.0000000), wk = 0.0029674 k( 59) = ( 0.4382716 0.3955918 -0.0000000), wk = 0.0029674 k( 60) = ( 0.4320988 0.4062835 -0.0000000), wk = 0.0029674 k( 61) = ( 0.4259259 0.4169752 -0.0000000), wk = 0.0029674 k( 62) = ( 0.4197531 0.4276669 -0.0000000), wk = 0.0029674 k( 63) = ( 0.4135802 0.4383585 -0.0000000), wk = 0.0029674 k( 64) = ( 0.4074074 0.4490502 -0.0000000), wk = 0.0029674 k( 65) = ( 0.4012346 0.4597419 -0.0000000), wk = 0.0029674 k( 66) = ( 0.3950617 0.4704335 -0.0000000), wk = 0.0029674 k( 67) = ( 0.3888889 0.4811252 -0.0000000), wk = 0.0029674 k( 68) = ( 0.3827160 0.4918169 -0.0000000), wk = 0.0029674 k( 69) = ( 0.3765432 0.5025086 -0.0000000), wk = 0.0029674 k( 70) = ( 0.3703704 0.5132002 -0.0000000), wk = 0.0029674 k( 71) = ( 0.3641975 0.5238919 -0.0000000), wk = 0.0029674 k( 72) = ( 0.3580247 0.5345836 -0.0000000), wk = 0.0029674 k( 73) = ( 0.3518519 0.5452753 -0.0000000), wk = 0.0029674 k( 74) = ( 0.3456790 0.5559669 -0.0000000), wk = 0.0029674 k( 75) = ( 0.3395062 0.5666586 -0.0000000), wk = 0.0029674 k( 76) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0029674 k( 77) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0029674 k( 78) = ( 0.3271605 0.5666586 -0.0000000), wk = 0.0029674 k( 79) = ( 0.3209877 0.5559669 -0.0000000), wk = 0.0029674 k( 80) = ( 0.3148148 0.5452752 -0.0000000), wk = 0.0029674 k( 81) = ( 0.3086420 0.5345836 -0.0000000), wk = 0.0029674 k( 82) = ( 0.3024691 0.5238919 -0.0000000), wk = 0.0029674 k( 83) = ( 0.2962963 0.5132002 -0.0000000), wk = 0.0029674 k( 84) = ( 0.2901235 0.5025086 -0.0000000), wk = 0.0029674 k( 85) = ( 0.2839506 0.4918169 -0.0000000), wk = 0.0029674 k( 86) = ( 0.2777778 0.4811252 -0.0000000), wk = 0.0029674 k( 87) = ( 0.2716049 0.4704336 -0.0000000), wk = 0.0029674 k( 88) = ( 0.2654321 0.4597419 -0.0000000), wk = 0.0029674 k( 89) = ( 0.2592593 0.4490502 -0.0000000), wk = 0.0029674 k( 90) = ( 0.2530864 0.4383585 -0.0000000), wk = 0.0029674 k( 91) = ( 0.2469136 0.4276669 -0.0000000), wk = 0.0029674 k( 92) = ( 0.2407407 0.4169752 -0.0000000), wk = 0.0029674 k( 93) = ( 0.2345679 0.4062835 -0.0000000), wk = 0.0029674 k( 94) = ( 0.2283951 0.3955918 -0.0000000), wk = 0.0029674 k( 95) = ( 0.2222222 0.3849002 -0.0000000), wk = 0.0029674 k( 96) = ( 0.2160494 0.3742085 -0.0000000), wk = 0.0029674 k( 97) = ( 0.2098765 0.3635168 -0.0000000), wk = 0.0029674 k( 98) = ( 0.2037037 0.3528252 -0.0000000), wk = 0.0029674 k( 99) = ( 0.1975309 0.3421335 -0.0000000), wk = 0.0029674 k( 100) = ( 0.1913580 0.3314418 -0.0000000), wk = 0.0029674 k( 101) = ( 0.1851852 0.3207502 -0.0000000), wk = 0.0029674 k( 102) = ( 0.1790123 0.3100585 -0.0000000), wk = 0.0029674 k( 103) = ( 0.1728395 0.2993668 -0.0000000), wk = 0.0029674 k( 104) = ( 0.1666667 0.2886751 -0.0000000), wk = 0.0029674 k( 105) = ( 0.1604938 0.2779835 -0.0000000), wk = 0.0029674 k( 106) = ( 0.1543210 0.2672918 -0.0000000), wk = 0.0029674 k( 107) = ( 0.1481482 0.2566001 -0.0000000), wk = 0.0029674 k( 108) = ( 0.1419753 0.2459085 -0.0000000), wk = 0.0029674 k( 109) = ( 0.1358025 0.2352168 -0.0000000), wk = 0.0029674 k( 110) = ( 0.1296296 0.2245251 -0.0000000), wk = 0.0029674 k( 111) = ( 0.1234568 0.2138334 -0.0000000), wk = 0.0029674 k( 112) = ( 0.1172839 0.2031418 -0.0000000), wk = 0.0029674 k( 113) = ( 0.1111111 0.1924501 -0.0000000), wk = 0.0029674 k( 114) = ( 0.1049383 0.1817584 -0.0000000), wk = 0.0029674 k( 115) = ( 0.0987654 0.1710667 -0.0000000), wk = 0.0029674 k( 116) = ( 0.0925926 0.1603751 -0.0000000), wk = 0.0029674 k( 117) = ( 0.0864198 0.1496834 -0.0000000), wk = 0.0029674 k( 118) = ( 0.0802469 0.1389917 -0.0000000), wk = 0.0029674 k( 119) = ( 0.0740741 0.1283001 -0.0000000), wk = 0.0029674 k( 120) = ( 0.0679012 0.1176084 -0.0000000), wk = 0.0029674 k( 121) = ( 0.0617284 0.1069167 -0.0000000), wk = 0.0029674 k( 122) = ( 0.0555556 0.0962251 -0.0000000), wk = 0.0029674 k( 123) = ( 0.0493827 0.0855334 -0.0000000), wk = 0.0029674 k( 124) = ( 0.0432099 0.0748417 -0.0000000), wk = 0.0029674 k( 125) = ( 0.0370370 0.0641500 -0.0000000), wk = 0.0029674 k( 126) = ( 0.0308642 0.0534584 -0.0000000), wk = 0.0029674 k( 127) = ( 0.0246914 0.0427667 -0.0000000), wk = 0.0029674 k( 128) = ( 0.0185185 0.0320750 -0.0000000), wk = 0.0029674 k( 129) = ( 0.0123457 0.0213833 -0.0000000), wk = 0.0029674 k( 130) = ( 0.0061728 0.0106917 -0.0000000), wk = 0.0029674 k( 131) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029674 k( 132) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029674 k( 133) = ( 0.0000000 0.0000000 0.0121320), wk = 0.0029674 k( 134) = ( 0.0000000 0.0000000 0.0242640), wk = 0.0029674 k( 135) = ( 0.0000000 0.0000000 0.0363960), wk = 0.0029674 k( 136) = ( 0.0000000 0.0000000 0.0485279), wk = 0.0029674 k( 137) = ( 0.0000000 0.0000000 0.0606599), wk = 0.0029674 k( 138) = ( 0.0000000 0.0000000 0.0727919), wk = 0.0029674 k( 139) = ( 0.0000000 0.0000000 0.0849239), wk = 0.0029674 k( 140) = ( 0.0000000 0.0000000 0.0970559), wk = 0.0029674 k( 141) = ( 0.0000000 0.0000000 0.1091879), wk = 0.0029674 k( 142) = ( 0.0000000 0.0000000 0.1213199), wk = 0.0029674 k( 143) = ( 0.0000000 0.0000000 0.1334518), wk = 0.0029674 k( 144) = ( 0.0000000 0.0000000 0.1455838), wk = 0.0029674 k( 145) = ( 0.0000000 0.0000000 0.1577158), wk = 0.0029674 k( 146) = ( 0.0000000 0.0000000 0.1698478), wk = 0.0029674 k( 147) = ( 0.0000000 0.0000000 0.1819798), wk = 0.0029674 k( 148) = ( 0.0000000 0.0000000 0.1941118), wk = 0.0029674 k( 149) = ( 0.0000000 0.0000000 0.2062438), wk = 0.0029674 k( 150) = ( 0.0000000 0.0000000 0.2183757), wk = 0.0029674 k( 151) = ( 0.0000000 0.0000000 0.2305077), wk = 0.0029674 k( 152) = ( 0.0000000 0.0000000 0.2426397), wk = 0.0029674 k( 153) = ( 0.0000000 0.0000000 0.2547717), wk = 0.0029674 k( 154) = ( 0.0000000 0.0000000 0.2669037), wk = 0.0029674 k( 155) = ( 0.0000000 0.0000000 0.2790357), wk = 0.0029674 k( 156) = ( 0.0000000 0.0000000 0.2911677), wk = 0.0029674 k( 157) = ( 0.0000000 0.0000000 0.2911677), wk = 0.0029674 k( 158) = ( 0.0106383 0.0061420 0.2911677), wk = 0.0029674 k( 159) = ( 0.0212766 0.0122841 0.2911677), wk = 0.0029674 k( 160) = ( 0.0319149 0.0184261 0.2911677), wk = 0.0029674 k( 161) = ( 0.0425532 0.0245681 0.2911677), wk = 0.0029674 k( 162) = ( 0.0531915 0.0307101 0.2911677), wk = 0.0029674 k( 163) = ( 0.0638298 0.0368521 0.2911677), wk = 0.0029674 k( 164) = ( 0.0744681 0.0429942 0.2911677), wk = 0.0029674 k( 165) = ( 0.0851064 0.0491362 0.2911677), wk = 0.0029674 k( 166) = ( 0.0957447 0.0552782 0.2911677), wk = 0.0029674 k( 167) = ( 0.1063830 0.0614202 0.2911677), wk = 0.0029674 k( 168) = ( 0.1170213 0.0675623 0.2911677), wk = 0.0029674 k( 169) = ( 0.1276596 0.0737043 0.2911677), wk = 0.0029674 k( 170) = ( 0.1382979 0.0798463 0.2911677), wk = 0.0029674 k( 171) = ( 0.1489362 0.0859883 0.2911677), wk = 0.0029674 k( 172) = ( 0.1595745 0.0921304 0.2911677), wk = 0.0029674 k( 173) = ( 0.1702128 0.0982724 0.2911677), wk = 0.0029674 k( 174) = ( 0.1808511 0.1044144 0.2911677), wk = 0.0029674 k( 175) = ( 0.1914894 0.1105564 0.2911677), wk = 0.0029674 k( 176) = ( 0.2021277 0.1166985 0.2911677), wk = 0.0029674 k( 177) = ( 0.2127660 0.1228405 0.2911677), wk = 0.0029674 k( 178) = ( 0.2234043 0.1289825 0.2911677), wk = 0.0029674 k( 179) = ( 0.2340425 0.1351245 0.2911677), wk = 0.0029674 k( 180) = ( 0.2446809 0.1412666 0.2911677), wk = 0.0029674 k( 181) = ( 0.2553191 0.1474086 0.2911677), wk = 0.0029674 k( 182) = ( 0.2659574 0.1535506 0.2911677), wk = 0.0029674 k( 183) = ( 0.2765957 0.1596926 0.2911677), wk = 0.0029674 k( 184) = ( 0.2872340 0.1658347 0.2911677), wk = 0.0029674 k( 185) = ( 0.2978723 0.1719767 0.2911677), wk = 0.0029674 k( 186) = ( 0.3085106 0.1781187 0.2911677), wk = 0.0029674 k( 187) = ( 0.3191489 0.1842607 0.2911677), wk = 0.0029674 k( 188) = ( 0.3297872 0.1904027 0.2911677), wk = 0.0029674 k( 189) = ( 0.3404255 0.1965448 0.2911677), wk = 0.0029674 k( 190) = ( 0.3510638 0.2026868 0.2911677), wk = 0.0029674 k( 191) = ( 0.3617021 0.2088288 0.2911677), wk = 0.0029674 k( 192) = ( 0.3723404 0.2149708 0.2911677), wk = 0.0029674 k( 193) = ( 0.3829787 0.2211129 0.2911677), wk = 0.0029674 k( 194) = ( 0.3936170 0.2272549 0.2911677), wk = 0.0029674 k( 195) = ( 0.4042553 0.2333969 0.2911677), wk = 0.0029674 k( 196) = ( 0.4148936 0.2395389 0.2911677), wk = 0.0029674 k( 197) = ( 0.4255319 0.2456810 0.2911677), wk = 0.0029674 k( 198) = ( 0.4361702 0.2518230 0.2911677), wk = 0.0029674 k( 199) = ( 0.4468085 0.2579650 0.2911677), wk = 0.0029674 k( 200) = ( 0.4574468 0.2641070 0.2911677), wk = 0.0029674 k( 201) = ( 0.4680851 0.2702491 0.2911677), wk = 0.0029674 k( 202) = ( 0.4787234 0.2763911 0.2911677), wk = 0.0029674 k( 203) = ( 0.4893617 0.2825331 0.2911677), wk = 0.0029674 k( 204) = ( 0.5000000 0.2886751 0.2911677), wk = 0.0029674 k( 205) = ( 0.5000000 0.2886751 0.2911677), wk = 0.0029674 k( 206) = ( 0.4938272 0.2993668 0.2911677), wk = 0.0029674 k( 207) = ( 0.4876543 0.3100585 0.2911677), wk = 0.0029674 k( 208) = ( 0.4814815 0.3207502 0.2911677), wk = 0.0029674 k( 209) = ( 0.4753086 0.3314418 0.2911677), wk = 0.0029674 k( 210) = ( 0.4691358 0.3421335 0.2911677), wk = 0.0029674 k( 211) = ( 0.4629630 0.3528252 0.2911677), wk = 0.0029674 k( 212) = ( 0.4567901 0.3635168 0.2911677), wk = 0.0029674 k( 213) = ( 0.4506173 0.3742085 0.2911677), wk = 0.0029674 k( 214) = ( 0.4444444 0.3849002 0.2911677), wk = 0.0029674 k( 215) = ( 0.4382716 0.3955918 0.2911677), wk = 0.0029674 k( 216) = ( 0.4320988 0.4062835 0.2911677), wk = 0.0029674 k( 217) = ( 0.4259259 0.4169752 0.2911677), wk = 0.0029674 k( 218) = ( 0.4197531 0.4276669 0.2911677), wk = 0.0029674 k( 219) = ( 0.4135802 0.4383585 0.2911677), wk = 0.0029674 k( 220) = ( 0.4074074 0.4490502 0.2911677), wk = 0.0029674 k( 221) = ( 0.4012346 0.4597419 0.2911677), wk = 0.0029674 k( 222) = ( 0.3950617 0.4704335 0.2911677), wk = 0.0029674 k( 223) = ( 0.3888889 0.4811252 0.2911677), wk = 0.0029674 k( 224) = ( 0.3827160 0.4918169 0.2911677), wk = 0.0029674 k( 225) = ( 0.3765432 0.5025086 0.2911677), wk = 0.0029674 k( 226) = ( 0.3703704 0.5132002 0.2911677), wk = 0.0029674 k( 227) = ( 0.3641975 0.5238919 0.2911677), wk = 0.0029674 k( 228) = ( 0.3580247 0.5345836 0.2911677), wk = 0.0029674 k( 229) = ( 0.3518519 0.5452753 0.2911677), wk = 0.0029674 k( 230) = ( 0.3456790 0.5559669 0.2911677), wk = 0.0029674 k( 231) = ( 0.3395062 0.5666586 0.2911677), wk = 0.0029674 k( 232) = ( 0.3333333 0.5773503 0.2911677), wk = 0.0029674 k( 233) = ( 0.3333333 0.5773503 0.2911677), wk = 0.0029674 k( 234) = ( 0.3271605 0.5666586 0.2911677), wk = 0.0029674 k( 235) = ( 0.3209877 0.5559669 0.2911677), wk = 0.0029674 k( 236) = ( 0.3148148 0.5452752 0.2911677), wk = 0.0029674 k( 237) = ( 0.3086420 0.5345836 0.2911677), wk = 0.0029674 k( 238) = ( 0.3024691 0.5238919 0.2911677), wk = 0.0029674 k( 239) = ( 0.2962963 0.5132002 0.2911677), wk = 0.0029674 k( 240) = ( 0.2901235 0.5025086 0.2911677), wk = 0.0029674 k( 241) = ( 0.2839506 0.4918169 0.2911677), wk = 0.0029674 k( 242) = ( 0.2777778 0.4811252 0.2911677), wk = 0.0029674 k( 243) = ( 0.2716049 0.4704336 0.2911677), wk = 0.0029674 k( 244) = ( 0.2654321 0.4597419 0.2911677), wk = 0.0029674 k( 245) = ( 0.2592593 0.4490502 0.2911677), wk = 0.0029674 k( 246) = ( 0.2530864 0.4383585 0.2911677), wk = 0.0029674 k( 247) = ( 0.2469136 0.4276669 0.2911677), wk = 0.0029674 k( 248) = ( 0.2407407 0.4169752 0.2911677), wk = 0.0029674 k( 249) = ( 0.2345679 0.4062835 0.2911677), wk = 0.0029674 k( 250) = ( 0.2283951 0.3955918 0.2911677), wk = 0.0029674 k( 251) = ( 0.2222222 0.3849002 0.2911677), wk = 0.0029674 k( 252) = ( 0.2160494 0.3742085 0.2911677), wk = 0.0029674 k( 253) = ( 0.2098765 0.3635168 0.2911677), wk = 0.0029674 k( 254) = ( 0.2037037 0.3528252 0.2911677), wk = 0.0029674 k( 255) = ( 0.1975309 0.3421335 0.2911677), wk = 0.0029674 k( 256) = ( 0.1913580 0.3314418 0.2911677), wk = 0.0029674 k( 257) = ( 0.1851852 0.3207502 0.2911677), wk = 0.0029674 k( 258) = ( 0.1790123 0.3100585 0.2911677), wk = 0.0029674 k( 259) = ( 0.1728395 0.2993668 0.2911677), wk = 0.0029674 k( 260) = ( 0.1666667 0.2886751 0.2911677), wk = 0.0029674 k( 261) = ( 0.1604938 0.2779835 0.2911677), wk = 0.0029674 k( 262) = ( 0.1543210 0.2672918 0.2911677), wk = 0.0029674 k( 263) = ( 0.1481482 0.2566001 0.2911677), wk = 0.0029674 k( 264) = ( 0.1419753 0.2459085 0.2911677), wk = 0.0029674 k( 265) = ( 0.1358025 0.2352168 0.2911677), wk = 0.0029674 k( 266) = ( 0.1296296 0.2245251 0.2911677), wk = 0.0029674 k( 267) = ( 0.1234568 0.2138334 0.2911677), wk = 0.0029674 k( 268) = ( 0.1172839 0.2031418 0.2911677), wk = 0.0029674 k( 269) = ( 0.1111111 0.1924501 0.2911677), wk = 0.0029674 k( 270) = ( 0.1049383 0.1817584 0.2911677), wk = 0.0029674 k( 271) = ( 0.0987654 0.1710667 0.2911677), wk = 0.0029674 k( 272) = ( 0.0925926 0.1603751 0.2911677), wk = 0.0029674 k( 273) = ( 0.0864198 0.1496834 0.2911677), wk = 0.0029674 k( 274) = ( 0.0802469 0.1389917 0.2911677), wk = 0.0029674 k( 275) = ( 0.0740741 0.1283001 0.2911677), wk = 0.0029674 k( 276) = ( 0.0679012 0.1176084 0.2911677), wk = 0.0029674 k( 277) = ( 0.0617284 0.1069167 0.2911677), wk = 0.0029674 k( 278) = ( 0.0555556 0.0962251 0.2911677), wk = 0.0029674 k( 279) = ( 0.0493827 0.0855334 0.2911677), wk = 0.0029674 k( 280) = ( 0.0432099 0.0748417 0.2911677), wk = 0.0029674 k( 281) = ( 0.0370370 0.0641500 0.2911677), wk = 0.0029674 k( 282) = ( 0.0308642 0.0534584 0.2911677), wk = 0.0029674 k( 283) = ( 0.0246914 0.0427667 0.2911677), wk = 0.0029674 k( 284) = ( 0.0185185 0.0320750 0.2911677), wk = 0.0029674 k( 285) = ( 0.0123457 0.0213833 0.2911677), wk = 0.0029674 k( 286) = ( 0.0061728 0.0106917 0.2911677), wk = 0.0029674 k( 287) = ( 0.0000000 0.0000000 0.2911677), wk = 0.0029674 k( 288) = ( 0.5000000 0.2886751 0.2911677), wk = 0.0029674 k( 289) = ( 0.5000000 0.2886751 0.2790357), wk = 0.0029674 k( 290) = ( 0.5000000 0.2886751 0.2669037), wk = 0.0029674 k( 291) = ( 0.5000000 0.2886751 0.2547717), wk = 0.0029674 k( 292) = ( 0.5000000 0.2886751 0.2426397), wk = 0.0029674 k( 293) = ( 0.5000000 0.2886751 0.2305077), wk = 0.0029674 k( 294) = ( 0.5000000 0.2886751 0.2183757), wk = 0.0029674 k( 295) = ( 0.5000000 0.2886751 0.2062438), wk = 0.0029674 k( 296) = ( 0.5000000 0.2886751 0.1941118), wk = 0.0029674 k( 297) = ( 0.5000000 0.2886751 0.1819798), wk = 0.0029674 k( 298) = ( 0.5000000 0.2886751 0.1698478), wk = 0.0029674 k( 299) = ( 0.5000000 0.2886751 0.1577158), wk = 0.0029674 k( 300) = ( 0.5000000 0.2886751 0.1455838), wk = 0.0029674 k( 301) = ( 0.5000000 0.2886751 0.1334518), wk = 0.0029674 k( 302) = ( 0.5000000 0.2886751 0.1213199), wk = 0.0029674 k( 303) = ( 0.5000000 0.2886751 0.1091879), wk = 0.0029674 k( 304) = ( 0.5000000 0.2886751 0.0970559), wk = 0.0029674 k( 305) = ( 0.5000000 0.2886751 0.0849239), wk = 0.0029674 k( 306) = ( 0.5000000 0.2886751 0.0727919), wk = 0.0029674 k( 307) = ( 0.5000000 0.2886751 0.0606599), wk = 0.0029674 k( 308) = ( 0.5000000 0.2886751 0.0485279), wk = 0.0029674 k( 309) = ( 0.5000000 0.2886751 0.0363960), wk = 0.0029674 k( 310) = ( 0.5000000 0.2886751 0.0242640), wk = 0.0029674 k( 311) = ( 0.5000000 0.2886751 0.0121320), wk = 0.0029674 k( 312) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0029674 k( 313) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0029674 k( 314) = ( 0.3333333 0.5773503 0.0121320), wk = 0.0029674 k( 315) = ( 0.3333333 0.5773503 0.0242640), wk = 0.0029674 k( 316) = ( 0.3333333 0.5773503 0.0363960), wk = 0.0029674 k( 317) = ( 0.3333333 0.5773503 0.0485279), wk = 0.0029674 k( 318) = ( 0.3333333 0.5773503 0.0606599), wk = 0.0029674 k( 319) = ( 0.3333333 0.5773503 0.0727919), wk = 0.0029674 k( 320) = ( 0.3333333 0.5773503 0.0849239), wk = 0.0029674 k( 321) = ( 0.3333333 0.5773503 0.0970559), wk = 0.0029674 k( 322) = ( 0.3333333 0.5773503 0.1091879), wk = 0.0029674 k( 323) = ( 0.3333333 0.5773503 0.1213199), wk = 0.0029674 k( 324) = ( 0.3333333 0.5773503 0.1334518), wk = 0.0029674 k( 325) = ( 0.3333333 0.5773503 0.1455838), wk = 0.0029674 k( 326) = ( 0.3333333 0.5773503 0.1577158), wk = 0.0029674 k( 327) = ( 0.3333333 0.5773503 0.1698478), wk = 0.0029674 k( 328) = ( 0.3333333 0.5773503 0.1819798), wk = 0.0029674 k( 329) = ( 0.3333333 0.5773503 0.1941118), wk = 0.0029674 k( 330) = ( 0.3333333 0.5773503 0.2062438), wk = 0.0029674 k( 331) = ( 0.3333333 0.5773503 0.2183757), wk = 0.0029674 k( 332) = ( 0.3333333 0.5773503 0.2305077), wk = 0.0029674 k( 333) = ( 0.3333333 0.5773503 0.2426397), wk = 0.0029674 k( 334) = ( 0.3333333 0.5773503 0.2547717), wk = 0.0029674 k( 335) = ( 0.3333333 0.5773503 0.2669037), wk = 0.0029674 k( 336) = ( 0.3333333 0.5773503 0.2790357), wk = 0.0029674 k( 337) = ( 0.3333333 0.5773503 0.2911677), wk = 0.0029674 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029674 k( 2) = ( 0.0106383 0.0000000 0.0000000), wk = 0.0029674 k( 3) = ( 0.0212766 0.0000000 0.0000000), wk = 0.0029674 k( 4) = ( 0.0319149 -0.0000000 0.0000000), wk = 0.0029674 k( 5) = ( 0.0425532 0.0000000 -0.0000000), wk = 0.0029674 k( 6) = ( 0.0531915 0.0000000 0.0000000), wk = 0.0029674 k( 7) = ( 0.0638298 -0.0000000 0.0000000), wk = 0.0029674 k( 8) = ( 0.0744681 -0.0000000 -0.0000000), wk = 0.0029674 k( 9) = ( 0.0851064 0.0000000 -0.0000000), wk = 0.0029674 k( 10) = ( 0.0957447 0.0000000 0.0000000), wk = 0.0029674 k( 11) = ( 0.1063830 0.0000000 0.0000000), wk = 0.0029674 k( 12) = ( 0.1170213 0.0000000 0.0000000), wk = 0.0029674 k( 13) = ( 0.1276596 -0.0000000 0.0000000), wk = 0.0029674 k( 14) = ( 0.1382979 0.0000000 0.0000000), wk = 0.0029674 k( 15) = ( 0.1489362 -0.0000000 0.0000000), wk = 0.0029674 k( 16) = ( 0.1595745 0.0000000 0.0000000), wk = 0.0029674 k( 17) = ( 0.1702128 0.0000000 0.0000000), wk = 0.0029674 k( 18) = ( 0.1808511 0.0000000 -0.0000000), wk = 0.0029674 k( 19) = ( 0.1914894 0.0000000 0.0000000), wk = 0.0029674 k( 20) = ( 0.2021277 0.0000000 0.0000000), wk = 0.0029674 k( 21) = ( 0.2127660 0.0000000 0.0000000), wk = 0.0029674 k( 22) = ( 0.2234043 0.0000000 0.0000000), wk = 0.0029674 k( 23) = ( 0.2340425 0.0000000 -0.0000000), wk = 0.0029674 k( 24) = ( 0.2446809 -0.0000000 0.0000000), wk = 0.0029674 k( 25) = ( 0.2553191 0.0000000 0.0000000), wk = 0.0029674 k( 26) = ( 0.2659574 -0.0000000 0.0000000), wk = 0.0029674 k( 27) = ( 0.2765957 0.0000000 0.0000000), wk = 0.0029674 k( 28) = ( 0.2872340 -0.0000000 0.0000000), wk = 0.0029674 k( 29) = ( 0.2978723 -0.0000000 0.0000000), wk = 0.0029674 k( 30) = ( 0.3085106 0.0000000 0.0000000), wk = 0.0029674 k( 31) = ( 0.3191489 0.0000000 0.0000000), wk = 0.0029674 k( 32) = ( 0.3297872 0.0000000 -0.0000000), wk = 0.0029674 k( 33) = ( 0.3404255 0.0000000 0.0000000), wk = 0.0029674 k( 34) = ( 0.3510638 0.0000000 0.0000000), wk = 0.0029674 k( 35) = ( 0.3617021 0.0000000 -0.0000000), wk = 0.0029674 k( 36) = ( 0.3723404 -0.0000000 0.0000000), wk = 0.0029674 k( 37) = ( 0.3829787 0.0000000 0.0000000), wk = 0.0029674 k( 38) = ( 0.3936170 -0.0000000 0.0000000), wk = 0.0029674 k( 39) = ( 0.4042553 0.0000000 0.0000000), wk = 0.0029674 k( 40) = ( 0.4148936 0.0000000 0.0000000), wk = 0.0029674 k( 41) = ( 0.4255319 0.0000000 0.0000000), wk = 0.0029674 k( 42) = ( 0.4361702 0.0000000 0.0000000), wk = 0.0029674 k( 43) = ( 0.4468085 0.0000000 0.0000000), wk = 0.0029674 k( 44) = ( 0.4574468 -0.0000000 0.0000000), wk = 0.0029674 k( 45) = ( 0.4680851 0.0000000 0.0000000), wk = 0.0029674 k( 46) = ( 0.4787234 -0.0000000 -0.0000000), wk = 0.0029674 k( 47) = ( 0.4893617 -0.0000000 0.0000000), wk = 0.0029674 k( 48) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0029674 k( 49) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0029674 k( 50) = ( 0.4938272 0.0123457 -0.0000000), wk = 0.0029674 k( 51) = ( 0.4876543 0.0246914 -0.0000000), wk = 0.0029674 k( 52) = ( 0.4814815 0.0370370 0.0000000), wk = 0.0029674 k( 53) = ( 0.4753086 0.0493827 0.0000000), wk = 0.0029674 k( 54) = ( 0.4691358 0.0617284 0.0000000), wk = 0.0029674 k( 55) = ( 0.4629630 0.0740741 0.0000000), wk = 0.0029674 k( 56) = ( 0.4567901 0.0864198 0.0000000), wk = 0.0029674 k( 57) = ( 0.4506173 0.0987654 0.0000000), wk = 0.0029674 k( 58) = ( 0.4444444 0.1111111 -0.0000000), wk = 0.0029674 k( 59) = ( 0.4382716 0.1234568 -0.0000000), wk = 0.0029674 k( 60) = ( 0.4320988 0.1358025 -0.0000000), wk = 0.0029674 k( 61) = ( 0.4259259 0.1481481 0.0000000), wk = 0.0029674 k( 62) = ( 0.4197531 0.1604938 0.0000000), wk = 0.0029674 k( 63) = ( 0.4135802 0.1728395 0.0000000), wk = 0.0029674 k( 64) = ( 0.4074074 0.1851852 -0.0000000), wk = 0.0029674 k( 65) = ( 0.4012346 0.1975309 0.0000000), wk = 0.0029674 k( 66) = ( 0.3950617 0.2098765 0.0000000), wk = 0.0029674 k( 67) = ( 0.3888889 0.2222222 0.0000000), wk = 0.0029674 k( 68) = ( 0.3827160 0.2345679 0.0000000), wk = 0.0029674 k( 69) = ( 0.3765432 0.2469136 0.0000000), wk = 0.0029674 k( 70) = ( 0.3703704 0.2592593 -0.0000000), wk = 0.0029674 k( 71) = ( 0.3641975 0.2716049 0.0000000), wk = 0.0029674 k( 72) = ( 0.3580247 0.2839506 0.0000000), wk = 0.0029674 k( 73) = ( 0.3518519 0.2962963 -0.0000000), wk = 0.0029674 k( 74) = ( 0.3456790 0.3086420 0.0000000), wk = 0.0029674 k( 75) = ( 0.3395062 0.3209876 0.0000000), wk = 0.0029674 k( 76) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0029674 k( 77) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0029674 k( 78) = ( 0.3271605 0.3271605 0.0000000), wk = 0.0029674 k( 79) = ( 0.3209877 0.3209877 0.0000000), wk = 0.0029674 k( 80) = ( 0.3148148 0.3148148 -0.0000000), wk = 0.0029674 k( 81) = ( 0.3086420 0.3086420 0.0000000), wk = 0.0029674 k( 82) = ( 0.3024691 0.3024691 0.0000000), wk = 0.0029674 k( 83) = ( 0.2962963 0.2962963 -0.0000000), wk = 0.0029674 k( 84) = ( 0.2901235 0.2901235 0.0000000), wk = 0.0029674 k( 85) = ( 0.2839506 0.2839506 0.0000000), wk = 0.0029674 k( 86) = ( 0.2777778 0.2777778 -0.0000000), wk = 0.0029674 k( 87) = ( 0.2716049 0.2716049 -0.0000000), wk = 0.0029674 k( 88) = ( 0.2654321 0.2654321 0.0000000), wk = 0.0029674 k( 89) = ( 0.2592593 0.2592593 0.0000000), wk = 0.0029674 k( 90) = ( 0.2530864 0.2530864 -0.0000000), wk = 0.0029674 k( 91) = ( 0.2469136 0.2469136 0.0000000), wk = 0.0029674 k( 92) = ( 0.2407407 0.2407407 0.0000000), wk = 0.0029674 k( 93) = ( 0.2345679 0.2345679 0.0000000), wk = 0.0029674 k( 94) = ( 0.2283951 0.2283951 -0.0000000), wk = 0.0029674 k( 95) = ( 0.2222222 0.2222222 0.0000000), wk = 0.0029674 k( 96) = ( 0.2160494 0.2160494 0.0000000), wk = 0.0029674 k( 97) = ( 0.2098765 0.2098765 0.0000000), wk = 0.0029674 k( 98) = ( 0.2037037 0.2037037 0.0000000), wk = 0.0029674 k( 99) = ( 0.1975309 0.1975309 -0.0000000), wk = 0.0029674 k( 100) = ( 0.1913580 0.1913580 0.0000000), wk = 0.0029674 k( 101) = ( 0.1851852 0.1851852 0.0000000), wk = 0.0029674 k( 102) = ( 0.1790123 0.1790123 -0.0000000), wk = 0.0029674 k( 103) = ( 0.1728395 0.1728395 -0.0000000), wk = 0.0029674 k( 104) = ( 0.1666667 0.1666667 -0.0000000), wk = 0.0029674 k( 105) = ( 0.1604938 0.1604938 -0.0000000), wk = 0.0029674 k( 106) = ( 0.1543210 0.1543210 0.0000000), wk = 0.0029674 k( 107) = ( 0.1481482 0.1481481 -0.0000000), wk = 0.0029674 k( 108) = ( 0.1419753 0.1419753 0.0000000), wk = 0.0029674 k( 109) = ( 0.1358025 0.1358025 -0.0000000), wk = 0.0029674 k( 110) = ( 0.1296296 0.1296296 0.0000000), wk = 0.0029674 k( 111) = ( 0.1234568 0.1234568 0.0000000), wk = 0.0029674 k( 112) = ( 0.1172839 0.1172839 0.0000000), wk = 0.0029674 k( 113) = ( 0.1111111 0.1111111 0.0000000), wk = 0.0029674 k( 114) = ( 0.1049383 0.1049383 0.0000000), wk = 0.0029674 k( 115) = ( 0.0987654 0.0987654 -0.0000000), wk = 0.0029674 k( 116) = ( 0.0925926 0.0925926 -0.0000000), wk = 0.0029674 k( 117) = ( 0.0864198 0.0864198 -0.0000000), wk = 0.0029674 k( 118) = ( 0.0802469 0.0802469 0.0000000), wk = 0.0029674 k( 119) = ( 0.0740741 0.0740741 -0.0000000), wk = 0.0029674 k( 120) = ( 0.0679012 0.0679012 -0.0000000), wk = 0.0029674 k( 121) = ( 0.0617284 0.0617284 -0.0000000), wk = 0.0029674 k( 122) = ( 0.0555556 0.0555556 -0.0000000), wk = 0.0029674 k( 123) = ( 0.0493827 0.0493827 0.0000000), wk = 0.0029674 k( 124) = ( 0.0432099 0.0432099 -0.0000000), wk = 0.0029674 k( 125) = ( 0.0370370 0.0370370 0.0000000), wk = 0.0029674 k( 126) = ( 0.0308642 0.0308642 -0.0000000), wk = 0.0029674 k( 127) = ( 0.0246914 0.0246914 0.0000000), wk = 0.0029674 k( 128) = ( 0.0185185 0.0185185 0.0000000), wk = 0.0029674 k( 129) = ( 0.0123457 0.0123457 0.0000000), wk = 0.0029674 k( 130) = ( 0.0061728 0.0061728 0.0000000), wk = 0.0029674 k( 131) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029674 k( 132) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029674 k( 133) = ( 0.0000000 0.0000000 0.0208333), wk = 0.0029674 k( 134) = ( 0.0000000 0.0000000 0.0416667), wk = 0.0029674 k( 135) = ( 0.0000000 0.0000000 0.0625000), wk = 0.0029674 k( 136) = ( 0.0000000 0.0000000 0.0833333), wk = 0.0029674 k( 137) = ( 0.0000000 0.0000000 0.1041667), wk = 0.0029674 k( 138) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0029674 k( 139) = ( 0.0000000 0.0000000 0.1458333), wk = 0.0029674 k( 140) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0029674 k( 141) = ( 0.0000000 0.0000000 0.1875000), wk = 0.0029674 k( 142) = ( 0.0000000 0.0000000 0.2083333), wk = 0.0029674 k( 143) = ( 0.0000000 0.0000000 0.2291667), wk = 0.0029674 k( 144) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0029674 k( 145) = ( 0.0000000 0.0000000 0.2708333), wk = 0.0029674 k( 146) = ( 0.0000000 0.0000000 0.2916667), wk = 0.0029674 k( 147) = ( 0.0000000 0.0000000 0.3125000), wk = 0.0029674 k( 148) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0029674 k( 149) = ( 0.0000000 0.0000000 0.3541667), wk = 0.0029674 k( 150) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0029674 k( 151) = ( 0.0000000 0.0000000 0.3958333), wk = 0.0029674 k( 152) = ( 0.0000000 0.0000000 0.4166667), wk = 0.0029674 k( 153) = ( 0.0000000 0.0000000 0.4375000), wk = 0.0029674 k( 154) = ( 0.0000000 0.0000000 0.4583333), wk = 0.0029674 k( 155) = ( 0.0000000 0.0000000 0.4791667), wk = 0.0029674 k( 156) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0029674 k( 157) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0029674 k( 158) = ( 0.0106383 0.0000000 0.5000000), wk = 0.0029674 k( 159) = ( 0.0212766 0.0000000 0.5000000), wk = 0.0029674 k( 160) = ( 0.0319149 -0.0000000 0.5000000), wk = 0.0029674 k( 161) = ( 0.0425532 0.0000000 0.5000000), wk = 0.0029674 k( 162) = ( 0.0531915 0.0000000 0.5000000), wk = 0.0029674 k( 163) = ( 0.0638298 -0.0000000 0.5000000), wk = 0.0029674 k( 164) = ( 0.0744681 -0.0000000 0.5000000), wk = 0.0029674 k( 165) = ( 0.0851064 0.0000000 0.5000000), wk = 0.0029674 k( 166) = ( 0.0957447 0.0000000 0.5000000), wk = 0.0029674 k( 167) = ( 0.1063830 0.0000000 0.5000000), wk = 0.0029674 k( 168) = ( 0.1170213 0.0000000 0.5000000), wk = 0.0029674 k( 169) = ( 0.1276596 -0.0000000 0.5000000), wk = 0.0029674 k( 170) = ( 0.1382979 0.0000000 0.5000000), wk = 0.0029674 k( 171) = ( 0.1489362 -0.0000000 0.5000000), wk = 0.0029674 k( 172) = ( 0.1595745 0.0000000 0.5000000), wk = 0.0029674 k( 173) = ( 0.1702128 0.0000000 0.5000000), wk = 0.0029674 k( 174) = ( 0.1808511 0.0000000 0.5000000), wk = 0.0029674 k( 175) = ( 0.1914894 0.0000000 0.5000000), wk = 0.0029674 k( 176) = ( 0.2021277 0.0000000 0.5000000), wk = 0.0029674 k( 177) = ( 0.2127660 0.0000000 0.5000000), wk = 0.0029674 k( 178) = ( 0.2234043 0.0000000 0.5000000), wk = 0.0029674 k( 179) = ( 0.2340425 0.0000000 0.5000000), wk = 0.0029674 k( 180) = ( 0.2446809 -0.0000000 0.5000000), wk = 0.0029674 k( 181) = ( 0.2553191 0.0000000 0.5000000), wk = 0.0029674 k( 182) = ( 0.2659574 -0.0000000 0.5000000), wk = 0.0029674 k( 183) = ( 0.2765957 0.0000000 0.5000000), wk = 0.0029674 k( 184) = ( 0.2872340 -0.0000000 0.5000000), wk = 0.0029674 k( 185) = ( 0.2978723 -0.0000000 0.5000000), wk = 0.0029674 k( 186) = ( 0.3085106 0.0000000 0.5000000), wk = 0.0029674 k( 187) = ( 0.3191489 0.0000000 0.5000000), wk = 0.0029674 k( 188) = ( 0.3297872 0.0000000 0.5000000), wk = 0.0029674 k( 189) = ( 0.3404255 0.0000000 0.5000000), wk = 0.0029674 k( 190) = ( 0.3510638 0.0000000 0.5000000), wk = 0.0029674 k( 191) = ( 0.3617021 0.0000000 0.5000000), wk = 0.0029674 k( 192) = ( 0.3723404 -0.0000000 0.5000000), wk = 0.0029674 k( 193) = ( 0.3829787 0.0000000 0.5000000), wk = 0.0029674 k( 194) = ( 0.3936170 -0.0000000 0.5000000), wk = 0.0029674 k( 195) = ( 0.4042553 0.0000000 0.5000000), wk = 0.0029674 k( 196) = ( 0.4148936 0.0000000 0.5000000), wk = 0.0029674 k( 197) = ( 0.4255319 0.0000000 0.5000000), wk = 0.0029674 k( 198) = ( 0.4361702 0.0000000 0.5000000), wk = 0.0029674 k( 199) = ( 0.4468085 0.0000000 0.5000000), wk = 0.0029674 k( 200) = ( 0.4574468 -0.0000000 0.5000000), wk = 0.0029674 k( 201) = ( 0.4680851 0.0000000 0.5000000), wk = 0.0029674 k( 202) = ( 0.4787234 -0.0000000 0.5000000), wk = 0.0029674 k( 203) = ( 0.4893617 -0.0000000 0.5000000), wk = 0.0029674 k( 204) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0029674 k( 205) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0029674 k( 206) = ( 0.4938272 0.0123457 0.5000000), wk = 0.0029674 k( 207) = ( 0.4876543 0.0246914 0.5000000), wk = 0.0029674 k( 208) = ( 0.4814815 0.0370370 0.5000000), wk = 0.0029674 k( 209) = ( 0.4753086 0.0493827 0.5000000), wk = 0.0029674 k( 210) = ( 0.4691358 0.0617284 0.5000000), wk = 0.0029674 k( 211) = ( 0.4629630 0.0740741 0.5000000), wk = 0.0029674 k( 212) = ( 0.4567901 0.0864198 0.5000000), wk = 0.0029674 k( 213) = ( 0.4506173 0.0987654 0.5000000), wk = 0.0029674 k( 214) = ( 0.4444444 0.1111111 0.5000000), wk = 0.0029674 k( 215) = ( 0.4382716 0.1234568 0.5000000), wk = 0.0029674 k( 216) = ( 0.4320988 0.1358025 0.5000000), wk = 0.0029674 k( 217) = ( 0.4259259 0.1481481 0.5000000), wk = 0.0029674 k( 218) = ( 0.4197531 0.1604938 0.5000000), wk = 0.0029674 k( 219) = ( 0.4135802 0.1728395 0.5000000), wk = 0.0029674 k( 220) = ( 0.4074074 0.1851852 0.5000000), wk = 0.0029674 k( 221) = ( 0.4012346 0.1975309 0.5000000), wk = 0.0029674 k( 222) = ( 0.3950617 0.2098765 0.5000000), wk = 0.0029674 k( 223) = ( 0.3888889 0.2222222 0.5000000), wk = 0.0029674 k( 224) = ( 0.3827160 0.2345679 0.5000000), wk = 0.0029674 k( 225) = ( 0.3765432 0.2469136 0.5000000), wk = 0.0029674 k( 226) = ( 0.3703704 0.2592593 0.5000000), wk = 0.0029674 k( 227) = ( 0.3641975 0.2716049 0.5000000), wk = 0.0029674 k( 228) = ( 0.3580247 0.2839506 0.5000000), wk = 0.0029674 k( 229) = ( 0.3518519 0.2962963 0.5000000), wk = 0.0029674 k( 230) = ( 0.3456790 0.3086420 0.5000000), wk = 0.0029674 k( 231) = ( 0.3395062 0.3209876 0.5000000), wk = 0.0029674 k( 232) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0029674 k( 233) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0029674 k( 234) = ( 0.3271605 0.3271605 0.5000000), wk = 0.0029674 k( 235) = ( 0.3209877 0.3209877 0.5000000), wk = 0.0029674 k( 236) = ( 0.3148148 0.3148148 0.5000000), wk = 0.0029674 k( 237) = ( 0.3086420 0.3086420 0.5000000), wk = 0.0029674 k( 238) = ( 0.3024691 0.3024691 0.5000000), wk = 0.0029674 k( 239) = ( 0.2962963 0.2962963 0.5000000), wk = 0.0029674 k( 240) = ( 0.2901235 0.2901235 0.5000000), wk = 0.0029674 k( 241) = ( 0.2839506 0.2839506 0.5000000), wk = 0.0029674 k( 242) = ( 0.2777778 0.2777778 0.5000000), wk = 0.0029674 k( 243) = ( 0.2716049 0.2716049 0.5000000), wk = 0.0029674 k( 244) = ( 0.2654321 0.2654321 0.5000000), wk = 0.0029674 k( 245) = ( 0.2592593 0.2592593 0.5000000), wk = 0.0029674 k( 246) = ( 0.2530864 0.2530864 0.5000000), wk = 0.0029674 k( 247) = ( 0.2469136 0.2469136 0.5000000), wk = 0.0029674 k( 248) = ( 0.2407407 0.2407407 0.5000000), wk = 0.0029674 k( 249) = ( 0.2345679 0.2345679 0.5000000), wk = 0.0029674 k( 250) = ( 0.2283951 0.2283951 0.5000000), wk = 0.0029674 k( 251) = ( 0.2222222 0.2222222 0.5000000), wk = 0.0029674 k( 252) = ( 0.2160494 0.2160494 0.5000000), wk = 0.0029674 k( 253) = ( 0.2098765 0.2098765 0.5000000), wk = 0.0029674 k( 254) = ( 0.2037037 0.2037037 0.5000000), wk = 0.0029674 k( 255) = ( 0.1975309 0.1975309 0.5000000), wk = 0.0029674 k( 256) = ( 0.1913580 0.1913580 0.5000000), wk = 0.0029674 k( 257) = ( 0.1851852 0.1851852 0.5000000), wk = 0.0029674 k( 258) = ( 0.1790123 0.1790123 0.5000000), wk = 0.0029674 k( 259) = ( 0.1728395 0.1728395 0.5000000), wk = 0.0029674 k( 260) = ( 0.1666667 0.1666667 0.5000000), wk = 0.0029674 k( 261) = ( 0.1604938 0.1604938 0.5000000), wk = 0.0029674 k( 262) = ( 0.1543210 0.1543210 0.5000000), wk = 0.0029674 k( 263) = ( 0.1481482 0.1481481 0.5000000), wk = 0.0029674 k( 264) = ( 0.1419753 0.1419753 0.5000000), wk = 0.0029674 k( 265) = ( 0.1358025 0.1358025 0.5000000), wk = 0.0029674 k( 266) = ( 0.1296296 0.1296296 0.5000000), wk = 0.0029674 k( 267) = ( 0.1234568 0.1234568 0.5000000), wk = 0.0029674 k( 268) = ( 0.1172839 0.1172839 0.5000000), wk = 0.0029674 k( 269) = ( 0.1111111 0.1111111 0.5000000), wk = 0.0029674 k( 270) = ( 0.1049383 0.1049383 0.5000000), wk = 0.0029674 k( 271) = ( 0.0987654 0.0987654 0.5000000), wk = 0.0029674 k( 272) = ( 0.0925926 0.0925926 0.5000000), wk = 0.0029674 k( 273) = ( 0.0864198 0.0864198 0.5000000), wk = 0.0029674 k( 274) = ( 0.0802469 0.0802469 0.5000000), wk = 0.0029674 k( 275) = ( 0.0740741 0.0740741 0.5000000), wk = 0.0029674 k( 276) = ( 0.0679012 0.0679012 0.5000000), wk = 0.0029674 k( 277) = ( 0.0617284 0.0617284 0.5000000), wk = 0.0029674 k( 278) = ( 0.0555556 0.0555556 0.5000000), wk = 0.0029674 k( 279) = ( 0.0493827 0.0493827 0.5000000), wk = 0.0029674 k( 280) = ( 0.0432099 0.0432099 0.5000000), wk = 0.0029674 k( 281) = ( 0.0370370 0.0370370 0.5000000), wk = 0.0029674 k( 282) = ( 0.0308642 0.0308642 0.5000000), wk = 0.0029674 k( 283) = ( 0.0246914 0.0246914 0.5000000), wk = 0.0029674 k( 284) = ( 0.0185185 0.0185185 0.5000000), wk = 0.0029674 k( 285) = ( 0.0123457 0.0123457 0.5000000), wk = 0.0029674 k( 286) = ( 0.0061728 0.0061728 0.5000000), wk = 0.0029674 k( 287) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0029674 k( 288) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0029674 k( 289) = ( 0.5000000 0.0000000 0.4791667), wk = 0.0029674 k( 290) = ( 0.5000000 0.0000000 0.4583333), wk = 0.0029674 k( 291) = ( 0.5000000 0.0000000 0.4375000), wk = 0.0029674 k( 292) = ( 0.5000000 0.0000000 0.4166667), wk = 0.0029674 k( 293) = ( 0.5000000 0.0000000 0.3958333), wk = 0.0029674 k( 294) = ( 0.5000000 0.0000000 0.3750000), wk = 0.0029674 k( 295) = ( 0.5000000 0.0000000 0.3541667), wk = 0.0029674 k( 296) = ( 0.5000000 0.0000000 0.3333333), wk = 0.0029674 k( 297) = ( 0.5000000 0.0000000 0.3125000), wk = 0.0029674 k( 298) = ( 0.5000000 0.0000000 0.2916667), wk = 0.0029674 k( 299) = ( 0.5000000 0.0000000 0.2708333), wk = 0.0029674 k( 300) = ( 0.5000000 0.0000000 0.2500000), wk = 0.0029674 k( 301) = ( 0.5000000 0.0000000 0.2291667), wk = 0.0029674 k( 302) = ( 0.5000000 0.0000000 0.2083333), wk = 0.0029674 k( 303) = ( 0.5000000 0.0000000 0.1875000), wk = 0.0029674 k( 304) = ( 0.5000000 0.0000000 0.1666667), wk = 0.0029674 k( 305) = ( 0.5000000 0.0000000 0.1458333), wk = 0.0029674 k( 306) = ( 0.5000000 0.0000000 0.1250000), wk = 0.0029674 k( 307) = ( 0.5000000 0.0000000 0.1041667), wk = 0.0029674 k( 308) = ( 0.5000000 0.0000000 0.0833333), wk = 0.0029674 k( 309) = ( 0.5000000 0.0000000 0.0625000), wk = 0.0029674 k( 310) = ( 0.5000000 0.0000000 0.0416667), wk = 0.0029674 k( 311) = ( 0.5000000 0.0000000 0.0208333), wk = 0.0029674 k( 312) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0029674 k( 313) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0029674 k( 314) = ( 0.3333333 0.3333333 0.0208333), wk = 0.0029674 k( 315) = ( 0.3333333 0.3333333 0.0416667), wk = 0.0029674 k( 316) = ( 0.3333333 0.3333333 0.0625000), wk = 0.0029674 k( 317) = ( 0.3333333 0.3333333 0.0833333), wk = 0.0029674 k( 318) = ( 0.3333333 0.3333333 0.1041667), wk = 0.0029674 k( 319) = ( 0.3333333 0.3333333 0.1250000), wk = 0.0029674 k( 320) = ( 0.3333333 0.3333333 0.1458333), wk = 0.0029674 k( 321) = ( 0.3333333 0.3333333 0.1666667), wk = 0.0029674 k( 322) = ( 0.3333333 0.3333333 0.1875000), wk = 0.0029674 k( 323) = ( 0.3333333 0.3333333 0.2083333), wk = 0.0029674 k( 324) = ( 0.3333333 0.3333333 0.2291667), wk = 0.0029674 k( 325) = ( 0.3333333 0.3333333 0.2500000), wk = 0.0029674 k( 326) = ( 0.3333333 0.3333333 0.2708333), wk = 0.0029674 k( 327) = ( 0.3333333 0.3333333 0.2916667), wk = 0.0029674 k( 328) = ( 0.3333333 0.3333333 0.3125000), wk = 0.0029674 k( 329) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0029674 k( 330) = ( 0.3333333 0.3333333 0.3541667), wk = 0.0029674 k( 331) = ( 0.3333333 0.3333333 0.3750000), wk = 0.0029674 k( 332) = ( 0.3333333 0.3333333 0.3958333), wk = 0.0029674 k( 333) = ( 0.3333333 0.3333333 0.4166667), wk = 0.0029674 k( 334) = ( 0.3333333 0.3333333 0.4375000), wk = 0.0029674 k( 335) = ( 0.3333333 0.3333333 0.4583333), wk = 0.0029674 k( 336) = ( 0.3333333 0.3333333 0.4791667), wk = 0.0029674 k( 337) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0029674 Dense grid: 36325 G-vectors FFT dimensions: ( 40, 40, 64) Smooth grid: 24859 G-vectors FFT dimensions: ( 32, 32, 60) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.20 Mb ( 192, 68) NL pseudopotentials 0.30 Mb ( 96, 204) Each V/rho on FFT grid 0.05 Mb ( 3200) Each G-vector array 0.01 Mb ( 1009) G-vector shells 0.00 Mb ( 483) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.80 Mb ( 192, 272) Each subspace H/S matrix 0.07 Mb ( 68, 68) Each matrix 0.42 Mb ( 204, 2, 68) Check: negative/imaginary core charge= -0.000003 0.000000 The potential is recalculated from file : ./Cu2S.save/charge-density.dat Starting wfc are 88 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.8 secs Computing kpt #: 2 total cpu time spent up to now is 3.3 secs Computing kpt #: 3 total cpu time spent up to now is 3.7 secs Computing kpt #: 4 total cpu time spent up to now is 4.1 secs Computing kpt #: 5 total cpu time spent up to now is 4.5 secs Computing kpt #: 6 total cpu time spent up to now is 4.9 secs Computing kpt #: 7 total cpu time spent up to now is 5.4 secs Computing kpt #: 8 total cpu time spent up to now is 5.8 secs Computing kpt #: 9 total cpu time spent up to now is 6.3 secs Computing kpt #: 10 total cpu time spent up to now is 6.8 secs Computing kpt #: 11 total cpu time spent up to now is 7.2 secs Computing kpt #: 12 total cpu time spent up to now is 7.7 secs Computing kpt #: 13 total cpu time spent up to now is 8.1 secs Computing kpt #: 14 total cpu time spent up to now is 8.5 secs Computing kpt #: 15 total cpu time spent up to now is 8.9 secs Computing kpt #: 16 total cpu time spent up to now is 9.3 secs Computing kpt #: 17 total cpu time spent up to now is 9.8 secs Computing kpt #: 18 total cpu time spent up to now is 10.2 secs Computing kpt #: 19 total cpu time spent up to now is 10.6 secs Computing kpt #: 20 total cpu time spent up to now is 11.1 secs Computing kpt #: 21 total cpu time spent up to now is 11.5 secs Computing kpt #: 22 total cpu time spent up to now is 12.0 secs Computing kpt #: 23 total cpu time spent up to now is 12.4 secs Computing kpt #: 24 total cpu time spent up to now is 12.8 secs Computing kpt #: 25 total cpu time spent up to now is 13.2 secs Computing kpt #: 26 total cpu time spent up to now is 13.6 secs Computing kpt #: 27 total cpu time spent up to now is 13.9 secs Computing kpt #: 28 total cpu time spent up to now is 14.3 secs Computing kpt #: 29 total cpu time spent up to now is 14.7 secs Computing kpt #: 30 total cpu time spent up to now is 15.1 secs Computing kpt #: 31 total cpu time spent up to now is 15.5 secs Computing kpt #: 32 total cpu time spent up to now is 15.9 secs Computing kpt #: 33 total cpu time spent up to now is 16.3 secs Computing kpt #: 34 total cpu time spent up to now is 16.7 secs Computing kpt #: 35 total cpu time spent up to now is 17.0 secs Computing kpt #: 36 total cpu time spent up to now is 17.4 secs Computing kpt #: 37 total cpu time spent up to now is 17.8 secs Computing kpt #: 38 total cpu time spent up to now is 18.2 secs Computing kpt #: 39 total cpu time spent up to now is 18.6 secs Computing kpt #: 40 total cpu time spent up to now is 19.0 secs Computing kpt #: 41 total cpu time spent up to now is 19.4 secs Computing kpt #: 42 total cpu time spent up to now is 19.8 secs Computing kpt #: 43 total cpu time spent up to now is 20.2 secs Computing kpt #: 44 total cpu time spent up to now is 20.6 secs Computing kpt #: 45 total cpu time spent up to now is 21.0 secs Computing kpt #: 46 total cpu time spent up to now is 21.5 secs Computing kpt #: 47 total cpu time spent up to now is 21.9 secs Computing kpt #: 48 total cpu time spent up to now is 22.3 secs Computing kpt #: 49 total cpu time spent up to now is 22.7 secs Computing kpt #: 50 total cpu 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Computing kpt #: 66 total cpu time spent up to now is 30.7 secs Computing kpt #: 67 total cpu time spent up to now is 31.2 secs Computing kpt #: 68 total cpu time spent up to now is 31.6 secs Computing kpt #: 69 total cpu time spent up to now is 32.1 secs Computing kpt #: 70 total cpu time spent up to now is 32.5 secs Computing kpt #: 71 total cpu time spent up to now is 32.9 secs Computing kpt #: 72 total cpu time spent up to now is 33.3 secs Computing kpt #: 73 total cpu time spent up to now is 33.8 secs Computing kpt #: 74 total cpu time spent up to now is 34.2 secs Computing kpt #: 75 total cpu time spent up to now is 34.6 secs Computing kpt #: 76 total cpu time spent up to now is 35.0 secs Computing kpt #: 77 total cpu time spent up to now is 35.5 secs Computing kpt #: 78 total cpu time spent up to now is 35.9 secs Computing kpt #: 79 total cpu time spent up to now is 36.3 secs Computing kpt #: 80 total cpu time spent up to now is 36.8 secs Computing kpt #: 81 total cpu time spent up to now is 37.2 secs Computing kpt #: 82 total cpu time spent up to now is 37.6 secs Computing kpt #: 83 total cpu time spent up to now is 38.1 secs Computing kpt #: 84 total cpu time spent up to now is 38.6 secs Computing kpt #: 85 total cpu time spent up to now is 39.0 secs Computing kpt #: 86 total cpu time spent up to now is 39.5 secs Computing kpt #: 87 total cpu time spent up to now is 40.0 secs Computing kpt #: 88 total cpu time spent up to now is 40.5 secs Computing kpt #: 89 total cpu time spent up to now is 41.0 secs Computing kpt #: 90 total cpu time spent up to now is 41.5 secs Computing kpt #: 91 total cpu time spent up to now is 41.9 secs Computing kpt #: 92 total cpu time spent up to now is 42.3 secs Computing kpt #: 93 total cpu time spent up to now is 42.7 secs Computing kpt #: 94 total cpu time spent up to now is 43.1 secs Computing kpt #: 95 total cpu time spent up to now is 43.5 secs Computing kpt #: 96 total cpu time spent up to now is 43.9 secs Computing kpt #: 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Computing kpt #: 128 total cpu time spent up to now is 57.3 secs Computing kpt #: 129 total cpu time spent up to now is 57.7 secs Computing kpt #: 130 total cpu time spent up to now is 58.1 secs Computing kpt #: 131 total cpu time spent up to now is 58.6 secs Computing kpt #: 132 total cpu time spent up to now is 59.0 secs Computing kpt #: 133 total cpu time spent up to now is 59.4 secs Computing kpt #: 134 total cpu time spent up to now is 59.9 secs Computing kpt #: 135 total cpu time spent up to now is 60.3 secs Computing kpt #: 136 total cpu time spent up to now is 60.8 secs Computing kpt #: 137 total cpu time spent up to now is 61.2 secs Computing kpt #: 138 total cpu time spent up to now is 61.6 secs Computing kpt #: 139 total cpu time spent up to now is 62.0 secs Computing kpt #: 140 total cpu time spent up to now is 62.5 secs Computing kpt #: 141 total cpu time spent up to now is 62.9 secs Computing kpt #: 142 total cpu time spent up to now is 63.3 secs Computing kpt #: 143 total cpu time spent up to now is 63.7 secs Computing kpt #: 144 total cpu time spent up to now is 64.1 secs Computing kpt #: 145 total cpu time spent up to now is 64.5 secs Computing kpt #: 146 total cpu time spent up to now is 64.9 secs Computing kpt #: 147 total cpu time spent up to now is 65.3 secs Computing kpt #: 148 total cpu time spent up to now is 65.7 secs Computing kpt #: 149 total cpu time spent up to now is 66.1 secs Computing kpt #: 150 total cpu time spent up to now is 66.5 secs Computing kpt #: 151 total cpu time spent up to now is 67.0 secs Computing kpt #: 152 total cpu time spent up to now is 67.4 secs Computing kpt #: 153 total cpu time spent up to now is 67.8 secs Computing kpt #: 154 total cpu time spent up to now is 68.2 secs Computing kpt #: 155 total cpu time spent up to now is 68.6 secs Computing kpt #: 156 total cpu time spent up to now is 69.0 secs Computing kpt #: 157 total cpu time spent up to now is 69.4 secs Computing kpt #: 158 total cpu time spent up to now is 69.8 secs Computing kpt #: 159 total cpu time spent up to now is 70.3 secs Computing kpt #: 160 total cpu time spent up to now is 70.7 secs Computing kpt #: 161 total cpu time spent up to now is 71.1 secs Computing kpt #: 162 total cpu time spent up to now is 71.6 secs Computing kpt #: 163 total cpu time spent up to now is 72.1 secs Computing kpt #: 164 total cpu time spent up to now is 72.5 secs Computing kpt #: 165 total cpu time spent up to now is 73.0 secs Computing kpt #: 166 total cpu time spent up to now is 73.5 secs Computing kpt #: 167 total cpu time spent up to now is 73.9 secs Computing kpt #: 168 total cpu time spent up to now is 74.4 secs Computing kpt #: 169 total cpu time spent up to now is 74.9 secs Computing kpt #: 170 total cpu time spent up to now is 75.4 secs Computing kpt #: 171 total cpu time spent up to now is 75.8 secs Computing kpt #: 172 total cpu time spent up to now is 76.3 secs Computing kpt #: 173 total cpu time spent up to now is 76.7 secs Computing kpt #: 174 total cpu time spent up to now is 77.1 secs Computing kpt #: 175 total cpu time spent up to now is 77.5 secs Computing kpt #: 176 total cpu time spent up to now is 77.9 secs Computing kpt #: 177 total cpu time spent up to now is 78.3 secs Computing kpt #: 178 total cpu time spent up to now is 78.7 secs Computing kpt #: 179 total cpu time spent up to now is 79.1 secs Computing kpt #: 180 total cpu time spent up to now is 79.5 secs Computing kpt #: 181 total cpu time spent up to now is 79.9 secs Computing kpt #: 182 total cpu time spent up to now is 80.2 secs Computing kpt #: 183 total cpu time spent up to now is 80.6 secs Computing kpt #: 184 total cpu time spent up to now is 81.0 secs Computing kpt #: 185 total cpu time spent up to now is 81.4 secs Computing kpt #: 186 total cpu time spent up to now is 81.8 secs Computing kpt #: 187 total cpu time spent up to now is 82.2 secs Computing kpt #: 188 total cpu time spent up to now is 82.6 secs Computing kpt #: 189 total cpu time spent up to now is 83.0 secs Computing kpt #: 190 total cpu time spent up to now is 83.4 secs Computing kpt #: 191 total cpu time spent up to now is 83.8 secs Computing kpt #: 192 total cpu time spent up to now is 84.2 secs Computing kpt #: 193 total cpu time spent up to now is 84.6 secs Computing kpt #: 194 total cpu time spent up to now is 85.0 secs Computing kpt #: 195 total cpu time spent up to now is 85.4 secs Computing kpt #: 196 total cpu time spent up to now is 85.8 secs Computing kpt #: 197 total cpu time spent up to now is 86.2 secs Computing kpt #: 198 total cpu time spent up to now is 86.6 secs Computing kpt #: 199 total cpu time spent up to now is 87.0 secs Computing kpt #: 200 total cpu time spent up to now is 87.4 secs Computing kpt #: 201 total cpu time spent up to now is 87.9 secs Computing kpt #: 202 total cpu time spent up to now is 88.3 secs Computing kpt #: 203 total cpu time spent up to now is 88.7 secs Computing kpt #: 204 total cpu time spent up to now is 89.1 secs Computing kpt #: 205 total cpu time spent up to now is 89.5 secs Computing kpt #: 206 total cpu time spent up to now is 89.8 secs Computing kpt #: 207 total cpu time spent up to now is 90.2 secs Computing kpt #: 208 total cpu time spent up to now is 90.6 secs Computing kpt #: 209 total cpu time spent up to now is 91.0 secs Computing kpt #: 210 total cpu time spent up to now is 91.4 secs Computing kpt #: 211 total cpu time spent up to now is 91.8 secs Computing kpt #: 212 total cpu time spent up to now is 92.3 secs Computing kpt #: 213 total cpu time spent up to now is 92.7 secs Computing kpt #: 214 total cpu time spent up to now is 93.1 secs Computing kpt #: 215 total cpu time spent up to now is 93.5 secs Computing kpt #: 216 total cpu time spent up to now is 93.9 secs Computing kpt #: 217 total cpu time spent up to now is 94.3 secs Computing kpt #: 218 total cpu time spent up to now is 94.7 secs Computing kpt #: 219 total cpu time spent up to now is 95.1 secs Computing kpt #: 220 total cpu time spent up to now is 95.5 secs Computing kpt #: 221 total cpu time spent up to now is 95.9 secs Computing kpt #: 222 total cpu time spent up to now is 96.3 secs Computing kpt #: 223 total cpu time spent up to now is 96.7 secs Computing kpt #: 224 total cpu time spent up to now is 97.2 secs Computing kpt #: 225 total cpu time spent up to now is 97.6 secs Computing kpt #: 226 total cpu time spent up to now is 98.0 secs Computing kpt #: 227 total cpu time spent up to now is 98.5 secs Computing kpt #: 228 total cpu time spent up to now is 98.9 secs Computing kpt #: 229 total cpu time spent up to now is 99.4 secs Computing kpt #: 230 total cpu time spent up to now is 99.8 secs Computing kpt #: 231 total cpu time spent up to now is 100.3 secs Computing kpt #: 232 total cpu time spent up to now is 100.7 secs Computing kpt #: 233 total cpu time spent up to now is 101.1 secs Computing kpt #: 234 total cpu time spent up to now is 101.5 secs Computing kpt #: 235 total cpu time spent up to now is 102.0 secs Computing kpt #: 236 total cpu time spent up to now is 102.4 secs Computing kpt #: 237 total cpu time spent up to now is 102.9 secs Computing kpt #: 238 total cpu time spent up to now is 103.4 secs Computing kpt #: 239 total cpu time spent up to now is 103.8 secs Computing kpt #: 240 total cpu time spent up to now is 104.3 secs Computing kpt #: 241 total cpu time spent up to now is 104.7 secs Computing kpt #: 242 total cpu time spent up to now is 105.1 secs Computing kpt #: 243 total cpu time spent up to now is 105.6 secs Computing kpt #: 244 total cpu time spent up to now is 106.0 secs Computing kpt #: 245 total cpu time spent up to now is 106.4 secs Computing kpt #: 246 total cpu time spent up to now is 106.8 secs Computing kpt #: 247 total cpu time spent up to now is 107.2 secs Computing kpt #: 248 total cpu time spent up to now is 107.6 secs Computing kpt #: 249 total cpu time spent up to now is 108.1 secs Computing kpt #: 250 total cpu time spent up to now is 108.5 secs Computing kpt #: 251 total cpu time spent up to now is 108.9 secs Computing kpt #: 252 total cpu time spent up to now is 109.3 secs Computing kpt #: 253 total cpu time spent up to now is 109.7 secs Computing kpt #: 254 total cpu time spent up to now is 110.1 secs Computing kpt #: 255 total cpu time spent up to now is 110.5 secs Computing kpt #: 256 total cpu time spent up to now is 110.9 secs Computing kpt #: 257 total cpu time spent up to now is 111.3 secs Computing kpt #: 258 total cpu time spent up to now is 111.7 secs Computing kpt #: 259 total cpu time spent up to now is 112.1 secs Computing kpt #: 260 total cpu time spent up to now is 112.5 secs Computing kpt #: 261 total cpu time spent up to now is 112.9 secs Computing kpt #: 262 total cpu time spent up to now is 113.3 secs Computing kpt #: 263 total cpu time spent up to now is 113.7 secs Computing kpt #: 264 total cpu time spent up to now is 114.1 secs Computing kpt #: 265 total cpu time spent up to now is 114.5 secs Computing kpt #: 266 total cpu time spent up to now is 114.9 secs Computing kpt #: 267 total cpu time spent up to now is 115.3 secs Computing kpt #: 268 total cpu time spent up to now is 115.7 secs Computing kpt #: 269 total cpu time spent up to now is 116.2 secs Computing kpt #: 270 total cpu time spent up to now is 116.6 secs Computing kpt #: 271 total cpu time spent up to now is 117.0 secs Computing kpt #: 272 total cpu time spent up to now is 117.5 secs Computing kpt #: 273 total cpu time spent up to now is 118.0 secs Computing kpt #: 274 total cpu time spent up to now is 118.4 secs Computing kpt #: 275 total cpu time spent up to now is 118.9 secs Computing kpt #: 276 total cpu time spent up to now is 119.4 secs Computing kpt #: 277 total cpu time spent up to now is 119.9 secs Computing kpt #: 278 total cpu time spent up to now is 120.4 secs Computing kpt #: 279 total cpu time spent up to now is 120.9 secs Computing kpt #: 280 total cpu time spent up to now is 121.5 secs Computing kpt #: 281 total cpu time spent up to now is 122.1 secs Computing kpt #: 282 total cpu time spent up to now is 122.6 secs Computing kpt #: 283 total cpu time spent up to now is 123.1 secs Computing kpt #: 284 total cpu time spent up to now is 123.5 secs Computing kpt #: 285 total cpu time spent up to now is 123.9 secs Computing kpt #: 286 total cpu time spent up to now is 124.3 secs Computing kpt #: 287 total cpu time spent up to now is 124.8 secs Computing kpt #: 288 total cpu time spent up to now is 125.1 secs Computing kpt #: 289 total cpu time spent up to now is 125.5 secs Computing kpt #: 290 total cpu time spent up to now is 125.9 secs Computing kpt #: 291 total cpu time spent up to now is 126.3 secs Computing kpt #: 292 total cpu time spent up to now is 126.7 secs Computing kpt #: 293 total cpu time spent up to now is 127.1 secs Computing kpt #: 294 total cpu time spent up to now is 127.5 secs Computing kpt #: 295 total cpu time spent up to now is 127.9 secs Computing kpt #: 296 total cpu time spent up to now is 128.3 secs Computing kpt #: 297 total cpu time spent up to now is 128.7 secs Computing kpt #: 298 total cpu time spent up to now is 129.1 secs Computing kpt #: 299 total cpu time spent up to now is 129.5 secs Computing kpt #: 300 total cpu time spent up to now is 129.9 secs Computing kpt #: 301 total cpu time spent up to now is 130.3 secs Computing kpt #: 302 total cpu time spent up to now is 130.7 secs Computing kpt #: 303 total cpu time spent up to now is 131.1 secs Computing kpt #: 304 total cpu time spent up to now is 131.5 secs Computing kpt #: 305 total cpu time spent up to now is 131.9 secs Computing kpt #: 306 total cpu time spent up to now is 132.3 secs Computing kpt #: 307 total cpu time spent up to now is 132.8 secs Computing kpt #: 308 total cpu time spent up to now is 133.2 secs Computing kpt #: 309 total cpu time spent up to now is 133.6 secs Computing kpt #: 310 total cpu time spent up to now is 134.1 secs Computing kpt #: 311 total cpu time spent up to now is 134.6 secs Computing kpt #: 312 total cpu time spent up to now is 135.0 secs Computing kpt #: 313 total cpu time spent up to now is 135.4 secs Computing kpt #: 314 total cpu time spent up to now is 135.9 secs Computing kpt #: 315 total cpu time spent up to now is 136.3 secs Computing kpt #: 316 total cpu time spent up to now is 136.7 secs Computing kpt #: 317 total cpu time spent up to now is 137.1 secs Computing kpt #: 318 total cpu time spent up to now is 137.6 secs Computing kpt #: 319 total cpu time spent up to now is 138.0 secs Computing kpt #: 320 total cpu time spent up to now is 138.4 secs Computing kpt #: 321 total cpu time spent up to now is 138.9 secs Computing kpt #: 322 total cpu time spent up to now is 139.3 secs Computing kpt #: 323 total cpu time spent up to now is 139.7 secs Computing kpt #: 324 total cpu time spent up to now is 140.2 secs Computing kpt #: 325 total cpu time spent up to now is 140.6 secs Computing kpt #: 326 total cpu time spent up to now is 141.0 secs Computing kpt #: 327 total cpu time spent up to now is 141.5 secs Computing kpt #: 328 total cpu time spent up to now is 141.9 secs Computing kpt #: 329 total cpu time spent up to now is 142.3 secs Computing kpt #: 330 total cpu time spent up to now is 142.8 secs Computing kpt #: 331 total cpu time spent up to now is 143.2 secs Computing kpt #: 332 total cpu time spent up to now is 143.6 secs Computing kpt #: 333 total cpu time spent up to now is 144.1 secs Computing kpt #: 334 total cpu time spent up to now is 144.5 secs Computing kpt #: 335 total cpu time spent up to now is 144.9 secs Computing kpt #: 336 total cpu time spent up to now is 145.4 secs Computing kpt #: 337 total cpu time spent up to now is 145.8 secs ethr = 1.79E-08, avg # of iterations = 16.9 total cpu time spent up to now is 145.8 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3093 PWs) bands (ev): -5.3132 -5.3132 -4.8323 -4.8323 3.2992 3.2992 3.3277 3.3277 3.4044 3.4044 3.4361 3.4361 4.2992 4.2992 6.1357 6.1357 6.2301 6.2301 6.2548 6.2548 6.4005 6.4005 6.4279 6.4279 6.4555 6.4555 6.5163 6.5163 6.5406 6.5406 6.6605 6.6605 7.0794 7.0794 7.4766 7.4766 7.5693 7.5693 7.5757 7.5757 7.5901 7.5901 7.6611 7.6611 7.6636 7.6636 7.8578 7.8578 9.6225 9.6225 10.5008 10.5008 10.8276 10.8276 10.9371 10.9371 10.9680 10.9680 11.0730 11.0730 13.3568 13.3568 13.4626 13.4626 13.8712 13.8712 13.9903 13.9903 k = 0.0106 0.0061-0.0000 ( 3101 PWs) bands (ev): -5.3123 -5.3123 -4.8315 -4.8315 3.2981 3.2981 3.3268 3.3268 3.4035 3.4035 3.4353 3.4353 4.2996 4.2996 6.1363 6.1363 6.2300 6.2300 6.2548 6.2548 6.4000 6.4000 6.4278 6.4278 6.4555 6.4555 6.5144 6.5144 6.5417 6.5417 6.6601 6.6601 7.0804 7.0804 7.4592 7.4592 7.5498 7.5498 7.5765 7.5765 7.6280 7.6280 7.6605 7.6605 7.6650 7.6650 7.8577 7.8577 9.6233 9.6233 10.4904 10.4904 10.8265 10.8265 10.9233 10.9233 10.9744 10.9744 11.0689 11.0689 13.3622 13.3622 13.4676 13.4676 13.8783 13.8783 13.9970 13.9970 k = 0.0213 0.0123-0.0000 ( 3097 PWs) bands (ev): -5.3096 -5.3096 -4.8293 -4.8293 3.2945 3.2945 3.3252 3.3252 3.3999 3.3999 3.4338 3.4338 4.3007 4.3007 6.1378 6.1378 6.2299 6.2299 6.2548 6.2548 6.3986 6.3986 6.4276 6.4276 6.4555 6.4555 6.5097 6.5097 6.5446 6.5446 6.6595 6.6595 7.0836 7.0836 7.4174 7.4174 7.5410 7.5410 7.5789 7.5789 7.6581 7.6581 7.6679 7.6679 7.6840 7.6840 7.8573 7.8573 9.6255 9.6255 10.4603 10.4603 10.8184 10.8184 10.8978 10.8978 10.9818 10.9818 11.0570 11.0570 13.3775 13.3775 13.4839 13.4839 13.8989 13.8989 14.0175 14.0175 k = 0.0319 0.0184-0.0000 ( 3093 PWs) bands (ev): -5.3051 -5.3051 -4.8255 -4.8255 3.2861 3.2861 3.3249 3.3249 3.3916 3.3916 3.4338 3.4338 4.3027 4.3027 6.1403 6.1403 6.2297 6.2297 6.2547 6.2547 6.3963 6.3963 6.4271 6.4271 6.4555 6.4555 6.5032 6.5032 6.5482 6.5482 6.6587 6.6587 7.0888 7.0888 7.3674 7.3674 7.5395 7.5395 7.5828 7.5828 7.6574 7.6574 7.6722 7.6722 7.7416 7.7416 7.8568 7.8568 9.6287 9.6287 10.4136 10.4136 10.7910 10.7910 10.8760 10.8760 10.9842 10.9842 11.0399 11.0399 13.3997 13.3997 13.5140 13.5140 13.9302 13.9302 14.0527 14.0527 k = 0.0426 0.0246-0.0000 ( 3097 PWs) bands (ev): -5.2989 -5.2989 -4.8202 -4.8202 3.2719 3.2719 3.3270 3.3270 3.3775 3.3775 3.4365 3.4365 4.3054 4.3054 6.1438 6.1438 6.2292 6.2292 6.2546 6.2546 6.3930 6.3930 6.4263 6.4263 6.4553 6.4553 6.4956 6.4956 6.5516 6.5516 6.6575 6.6575 7.0959 7.0959 7.3160 7.3160 7.5407 7.5407 7.5880 7.5880 7.6563 7.6563 7.6776 7.6776 7.8010 7.8010 7.8560 7.8560 9.6319 9.6319 10.3536 10.3536 10.7405 10.7405 10.8583 10.8583 10.9747 10.9747 11.0283 11.0283 13.4261 13.4261 13.5603 13.5603 13.9688 13.9688 14.1036 14.1036 k = 0.0532 0.0307-0.0000 ( 3097 PWs) bands (ev): -5.2908 -5.2908 -4.8134 -4.8134 3.2525 3.2525 3.3311 3.3311 3.3581 3.3581 3.4417 3.4417 4.3089 4.3089 6.1482 6.1482 6.2286 6.2286 6.2544 6.2544 6.3886 6.3886 6.4253 6.4253 6.4551 6.4551 6.4869 6.4869 6.5547 6.5547 6.6561 6.6561 7.1050 7.1050 7.2654 7.2654 7.5434 7.5434 7.5944 7.5944 7.6551 7.6551 7.6845 7.6845 7.8532 7.8532 7.8632 7.8632 9.6341 9.6341 10.2830 10.2830 10.6750 10.6750 10.8341 10.8341 10.9474 10.9474 11.0335 11.0335 13.4556 13.4556 13.6230 13.6230 14.0116 14.0116 14.1705 14.1705 k = 0.0638 0.0369-0.0000 ( 3093 PWs) bands (ev): -5.2811 -5.2811 -4.8052 -4.8052 3.2284 3.2284 3.3310 3.3310 3.3399 3.3399 3.4490 3.4490 4.3131 4.3131 6.1534 6.1534 6.2277 6.2277 6.2541 6.2541 6.3832 6.3832 6.4238 6.4238 6.4546 6.4546 6.4775 6.4775 6.5573 6.5573 6.6546 6.6546 7.1158 7.1158 7.2167 7.2167 7.5471 7.5471 7.6018 7.6018 7.6539 7.6539 7.6931 7.6931 7.8532 7.8532 7.9227 7.9227 9.6336 9.6336 10.2044 10.2044 10.5995 10.5995 10.7966 10.7966 10.9127 10.9127 11.0502 11.0502 13.4887 13.4887 13.7007 13.7007 14.0570 14.0570 14.2522 14.2522 k = 0.0745 0.0430-0.0000 ( 3095 PWs) bands (ev): -5.2696 -5.2696 -4.7956 -4.7956 3.2001 3.2001 3.3042 3.3042 3.3456 3.3456 3.4581 3.4581 4.3180 4.3180 6.1594 6.1594 6.2264 6.2264 6.2535 6.2535 6.3767 6.3767 6.4218 6.4218 6.4537 6.4537 6.4670 6.4670 6.5591 6.5591 6.6531 6.6531 7.1279 7.1279 7.1708 7.1708 7.5516 7.5516 7.6098 7.6098 7.6525 7.6525 7.7034 7.7034 7.8518 7.8518 7.9834 7.9834 9.6282 9.6282 10.1199 10.1199 10.5170 10.5170 10.7438 10.7438 10.8793 10.8793 11.0739 11.0739 13.5261 13.5261 13.7912 13.7912 14.1043 14.1043 14.3466 14.3466 k = 0.0851 0.0491-0.0000 ( 3099 PWs) bands (ev): -5.2564 -5.2564 -4.7845 -4.7845 3.1680 3.1680 3.2720 3.2720 3.3544 3.3544 3.4687 3.4687 4.3236 4.3236 6.1660 6.1660 6.2246 6.2246 6.2526 6.2526 6.3689 6.3689 6.4192 6.4192 6.4525 6.4525 6.4556 6.4556 6.5602 6.5602 6.6517 6.6517 7.1256 7.1256 7.1439 7.1439 7.5568 7.5568 7.6182 7.6182 7.6511 7.6511 7.7155 7.7155 7.8501 7.8501 8.0439 8.0439 9.6154 9.6154 10.0315 10.0315 10.4291 10.4291 10.6774 10.6774 10.8507 10.8507 11.1026 11.1026 13.5683 13.5683 13.8926 13.8926 14.1531 14.1531 14.4518 14.4518 k = 0.0957 0.0553-0.0000 ( 3099 PWs) bands (ev): -5.2415 -5.2415 -4.7721 -4.7721 3.1325 3.1325 3.2364 3.2364 3.3646 3.3646 3.4808 3.4808 4.3299 4.3299 6.1732 6.1732 6.2221 6.2221 6.2516 6.2516 6.3598 6.3598 6.4158 6.4158 6.4431 6.4431 6.4510 6.4510 6.5604 6.5604 6.6504 6.6504 7.0876 7.0876 7.1578 7.1578 7.5626 7.5626 7.6265 7.6265 7.6499 7.6499 7.7295 7.7295 7.8482 7.8482 8.1042 8.1042 9.5924 9.5924 9.9415 9.9415 10.3371 10.3371 10.6006 10.6006 10.8284 10.8284 11.1352 11.1352 13.6153 13.6153 14.0033 14.0033 14.2035 14.2035 14.5658 14.5658 k = 0.1064 0.0614-0.0000 ( 3097 PWs) bands (ev): -5.2250 -5.2250 -4.7584 -4.7584 3.0941 3.0941 3.1979 3.1979 3.3761 3.3761 3.4944 3.4944 4.3369 4.3369 6.1806 6.1806 6.2190 6.2190 6.2502 6.2502 6.3494 6.3494 6.4114 6.4114 6.4297 6.4297 6.4490 6.4490 6.5598 6.5598 6.6496 6.6496 7.0528 7.0528 7.1739 7.1739 7.5689 7.5689 7.6341 7.6341 7.6494 7.6494 7.7454 7.7454 7.8461 7.8461 8.1638 8.1638 9.5562 9.5562 9.8519 9.8519 10.2420 10.2420 10.5161 10.5161 10.8139 10.8139 11.1713 11.1713 13.6672 13.6672 14.1214 14.1214 14.2556 14.2556 14.6857 14.6857 k = 0.1170 0.0676-0.0000 ( 3089 PWs) bands (ev): -5.2070 -5.2070 -4.7435 -4.7435 3.0528 3.0528 3.1569 3.1569 3.3888 3.3888 3.5093 3.5093 4.3444 4.3444 6.1880 6.1880 6.2150 6.2150 6.2486 6.2486 6.3376 6.3376 6.4050 6.4050 6.4165 6.4165 6.4466 6.4466 6.5582 6.5582 6.6491 6.6491 7.0227 7.0227 7.1910 7.1910 7.5757 7.5757 7.6386 7.6386 7.6520 7.6520 7.7631 7.7631 7.8442 7.8442 8.2228 8.2228 9.5049 9.5049 9.7645 9.7645 10.1446 10.1446 10.4258 10.4258 10.8087 10.8087 11.2104 11.2104 13.7236 13.7236 14.2434 14.2434 14.3117 14.3117 14.6868 14.6868 k = 0.1277 0.0737-0.0000 ( 3089 PWs) bands (ev): -5.1874 -5.1874 -4.7273 -4.7273 3.0092 3.0092 3.1137 3.1137 3.4025 3.4025 3.5256 3.5256 4.3525 4.3525 6.1947 6.1947 6.2100 6.2100 6.2466 6.2466 6.3242 6.3242 6.3934 6.3934 6.4067 6.4067 6.4437 6.4437 6.5558 6.5558 6.6490 6.6490 6.9978 6.9978 7.2088 7.2088 7.5828 7.5828 7.6389 7.6389 7.6586 7.6586 7.7823 7.7823 7.8421 7.8421 8.2807 8.2807 9.4385 9.4385 9.6798 9.6798 10.0453 10.0453 10.3311 10.3311 10.8135 10.8135 11.2522 11.2522 13.7845 13.7845 14.3431 14.3431 14.3969 14.3969 14.6090 14.6090 k = 0.1383 0.0798-0.0000 ( 3088 PWs) bands (ev): -5.1663 -5.1663 -4.7100 -4.7100 2.9634 2.9634 3.0688 3.0688 3.4174 3.4174 3.5430 3.5430 4.3612 4.3612 6.1993 6.1993 6.2042 6.2042 6.2441 6.2441 6.3095 6.3095 6.3778 6.3778 6.3997 6.3997 6.4406 6.4406 6.5526 6.5526 6.6495 6.6495 6.9782 6.9782 7.2271 7.2271 7.5902 7.5902 7.6376 7.6376 7.6668 7.6668 7.8025 7.8025 7.8404 7.8404 8.3376 8.3376 9.3592 9.3592 9.5967 9.5967 9.9448 9.9448 10.2331 10.2331 10.8285 10.8285 11.2965 11.2965 13.8496 13.8496 14.4032 14.4032 14.5167 14.5167 14.5366 14.5366 k = 0.1489 0.0860-0.0000 ( 3090 PWs) bands (ev): -5.1438 -5.1438 -4.6917 -4.6917 2.9158 2.9158 3.0225 3.0225 3.4333 3.4333 3.5617 3.5617 4.3704 4.3704 6.1947 6.1947 6.2034 6.2034 6.2396 6.2396 6.2951 6.2951 6.3614 6.3614 6.3931 6.3931 6.4371 6.4371 6.5489 6.5489 6.6505 6.6505 6.9637 6.9637 7.2456 7.2456 7.5973 7.5973 7.6360 7.6360 7.6755 7.6755 7.8211 7.8211 7.8417 7.8417 8.3931 8.3931 9.2711 9.2711 9.5133 9.5133 9.8434 9.8434 10.1326 10.1326 10.8530 10.8530 11.3430 11.3430 13.9189 13.9189 14.4304 14.4304 14.4649 14.4649 14.6701 14.6701 k = 0.1596 0.0921-0.0000 ( 3094 PWs) bands (ev): -5.1199 -5.1199 -4.6723 -4.6723 2.8667 2.8667 2.9752 2.9752 3.4503 3.4503 3.5814 3.5814 4.3800 4.3800 6.1848 6.1848 6.2024 6.2024 6.2291 6.2291 6.2850 6.2850 6.3459 6.3459 6.3864 6.3864 6.4333 6.4333 6.5447 6.5447 6.6524 6.6524 6.9544 6.9544 7.2642 7.2642 7.6037 7.6037 7.6349 7.6349 7.6844 7.6844 7.8282 7.8282 7.8558 7.8558 8.4472 8.4472 9.1776 9.1776 9.4282 9.4282 9.7415 9.7415 10.0302 10.0302 10.8856 10.8856 11.3914 11.3914 13.9921 13.9921 14.3428 14.3428 14.5158 14.5158 14.8171 14.8171 k = 0.1702 0.0983-0.0000 ( 3096 PWs) bands (ev): -5.0947 -5.0947 -4.6520 -4.6520 2.8163 2.8163 2.9272 2.9272 3.4682 3.4682 3.6023 3.6023 4.3901 4.3901 6.1723 6.1723 6.1979 6.1979 6.2094 6.2094 6.2815 6.2815 6.3328 6.3328 6.3795 6.3795 6.4299 6.4299 6.5402 6.5402 6.6551 6.6551 6.9496 6.9496 7.2828 7.2828 7.6084 7.6084 7.6355 7.6355 7.6933 7.6933 7.8274 7.8274 7.8788 7.8788 8.4996 8.4996 9.0818 9.0818 9.3409 9.3409 9.6393 9.6393 9.9266 9.9266 10.9250 10.9250 11.4418 11.4418 14.0687 14.0687 14.2483 14.2483 14.5710 14.5710 14.9686 14.9686 k = 0.1809 0.1044-0.0000 ( 3100 PWs) bands (ev): -5.0683 -5.0683 -4.6308 -4.6308 2.7650 2.7650 2.8788 2.8788 3.4871 3.4871 3.6242 3.6242 4.4006 4.4006 6.1571 6.1571 6.1818 6.1818 6.1900 6.1900 6.2802 6.2802 6.3244 6.3244 6.3727 6.3727 6.4269 6.4269 6.5354 6.5354 6.6588 6.6588 6.9490 6.9490 7.3010 7.3010 7.6101 7.6101 7.6388 7.6388 7.7022 7.7022 7.8251 7.8251 7.9042 7.9042 8.5501 8.5501 8.9859 8.9859 9.2518 9.2518 9.5372 9.5372 9.8221 9.8221 10.9694 10.9694 11.4938 11.4938 14.1329 14.1329 14.1667 14.1667 14.6276 14.6276 15.1240 15.1240 k = 0.1915 0.1106-0.0000 ( 3104 PWs) bands (ev): -5.0407 -5.0407 -4.6090 -4.6090 2.7130 2.7130 2.8304 2.8304 3.5067 3.5067 3.6470 3.6470 4.4114 4.4114 6.1386 6.1386 6.1500 6.1500 6.1789 6.1789 6.2750 6.2750 6.3240 6.3240 6.3662 6.3662 6.4244 6.4244 6.5305 6.5305 6.6637 6.6637 6.9519 6.9519 7.3189 7.3189 7.6091 7.6091 7.6448 7.6448 7.7111 7.7111 7.8225 7.8225 7.9307 7.9307 8.5986 8.5986 8.8914 8.8914 9.1615 9.1615 9.4354 9.4354 9.7172 9.7172 11.0173 11.0173 11.5473 11.5473 14.0455 14.0455 14.2377 14.2377 14.6856 14.6856 15.2829 15.2829 k = 0.2021 0.1167-0.0000 ( 3104 PWs) bands (ev): -5.0121 -5.0121 -4.5864 -4.5864 2.6605 2.6605 2.7822 2.7822 3.5272 3.5272 3.6708 3.6708 4.4225 4.4225 6.1130 6.1130 6.1191 6.1191 6.1646 6.1646 6.2651 6.2651 6.3304 6.3304 6.3603 6.3603 6.4228 6.4228 6.5255 6.5255 6.6699 6.6699 6.9579 6.9579 7.3363 7.3363 7.6062 7.6062 7.6524 7.6524 7.7199 7.7199 7.8199 7.8199 7.9581 7.9581 8.6444 8.6444 8.7994 8.7994 9.0710 9.0710 9.3342 9.3342 9.6121 9.6121 11.0673 11.0673 11.6023 11.6023 13.9430 13.9430 14.3251 14.3251 14.7456 14.7456 15.4450 15.4450 k = 0.2128 0.1228-0.0000 ( 3106 PWs) bands (ev): -4.9825 -4.9825 -4.5633 -4.5633 2.6078 2.6078 2.7343 2.7343 3.5485 3.5485 3.6954 3.6954 4.4339 4.4339 6.0767 6.0767 6.0937 6.0937 6.1470 6.1470 6.2529 6.2529 6.3395 6.3395 6.3564 6.3564 6.4222 6.4222 6.5204 6.5204 6.6774 6.6774 6.9665 6.9665 7.3530 7.3530 7.6023 7.6023 7.6607 7.6607 7.7287 7.7287 7.8173 7.8173 7.9862 7.9862 8.6835 8.6835 8.7150 8.7150 8.9811 8.9811 9.2339 9.2339 9.5072 9.5072 11.1182 11.1182 11.6586 11.6586 13.8385 13.8385 14.4159 14.4159 14.8079 14.8079 15.4412 15.4412 k = 0.2234 0.1290-0.0000 ( 3114 PWs) bands (ev): -4.9520 -4.9520 -4.5398 -4.5398 2.5550 2.5550 2.6871 2.6871 3.5704 3.5704 3.7207 3.7207 4.4455 4.4455 6.0385 6.0385 6.0655 6.0655 6.1258 6.1258 6.2399 6.2399 6.3444 6.3444 6.3591 6.3591 6.4226 6.4226 6.5155 6.5155 6.6864 6.6864 6.9772 6.9772 7.3689 7.3689 7.5976 7.5976 7.6693 7.6693 7.7373 7.7373 7.8147 7.8147 8.0147 8.0147 8.6226 8.6226 8.7313 8.7313 8.8930 8.8930 9.1347 9.1347 9.4028 9.4028 11.1688 11.1688 11.7159 11.7159 13.7327 13.7327 14.5093 14.5093 14.8731 14.8731 15.3655 15.3655 k = 0.2340 0.1351-0.0000 ( 3118 PWs) bands (ev): -4.9207 -4.9207 -4.5159 -4.5159 2.5025 2.5025 2.6408 2.6408 3.5930 3.5930 3.7466 3.7466 4.4573 4.4573 5.9994 5.9994 6.0341 6.0341 6.1012 6.1012 6.2266 6.2266 6.3428 6.3428 6.3705 6.3705 6.4242 6.4242 6.5107 6.5107 6.6968 6.6968 6.9896 6.9896 7.3840 7.3840 7.5925 7.5925 7.6781 7.6781 7.7458 7.7458 7.8124 7.8124 8.0436 8.0436 8.5424 8.5424 8.7633 8.7633 8.8122 8.8122 9.0368 9.0368 9.2989 9.2989 11.2182 11.2182 11.7741 11.7741 13.6264 13.6264 14.6046 14.6046 14.9422 14.9422 15.2957 15.2957 k = 0.2447 0.1413-0.0000 ( 3110 PWs) bands (ev): -4.8887 -4.8887 -4.4917 -4.4917 2.4504 2.4504 2.5956 2.5956 3.6161 3.6161 3.7731 3.7731 4.4693 4.4693 5.9600 5.9600 5.9996 5.9996 6.0729 6.0729 6.2135 6.2135 6.3406 6.3406 6.3837 6.3837 6.4271 6.4271 6.5065 6.5065 6.7088 6.7088 7.0037 7.0037 7.3981 7.3981 7.5870 7.5870 7.6870 7.6870 7.7542 7.7542 7.8103 7.8103 8.0726 8.0726 8.4669 8.4669 8.7158 8.7158 8.8105 8.8105 8.9408 8.9408 9.1962 9.1962 11.2659 11.2659 11.8330 11.8330 13.5201 13.5201 14.7006 14.7006 15.0158 15.0158 15.2317 15.2317 k = 0.2553 0.1474-0.0000 ( 3110 PWs) bands (ev): -4.8561 -4.8561 -4.4675 -4.4675 2.3989 2.3989 2.5515 2.5515 3.6396 3.6396 3.8001 3.8001 4.4814 4.4814 5.9205 5.9205 5.9620 5.9620 6.0412 6.0412 6.2005 6.2005 6.3392 6.3392 6.3972 6.3972 6.4311 6.4311 6.5031 6.5031 6.7221 6.7221 7.0189 7.0189 7.4112 7.4112 7.5810 7.5810 7.6957 7.6957 7.7624 7.7624 7.8084 7.8084 8.1016 8.1016 8.3964 8.3964 8.6365 8.6365 8.8326 8.8326 8.8546 8.8546 9.0946 9.0946 11.3111 11.3111 11.8921 11.8921 13.4142 13.4142 14.7961 14.7961 15.0951 15.0951 15.1736 15.1736 k = 0.2660 0.1536-0.0000 ( 3118 PWs) bands (ev): -4.8231 -4.8231 -4.4433 -4.4433 2.3482 2.3482 2.5087 2.5087 3.6633 3.6633 3.8273 3.8273 4.4936 4.4936 5.8813 5.8813 5.9217 5.9217 6.0061 6.0061 6.1877 6.1877 6.3384 6.3384 6.4100 6.4100 6.4362 6.4362 6.5011 6.5011 6.7368 6.7368 7.0350 7.0350 7.4230 7.4230 7.5747 7.5747 7.7042 7.7042 7.7704 7.7704 7.8067 7.8067 8.1301 8.1301 8.3316 8.3316 8.5590 8.5590 8.7510 8.7510 8.8711 8.8711 8.9953 8.9953 11.3537 11.3537 11.9512 11.9512 13.3092 13.3092 14.8899 14.8899 15.1213 15.1213 15.1810 15.1810 k = 0.2766 0.1597-0.0000 ( 3122 PWs) bands (ev): -4.7897 -4.7897 -4.4192 -4.4192 2.2985 2.2985 2.4674 2.4674 3.6874 3.6874 3.8547 3.8547 4.5058 4.5058 5.8424 5.8424 5.8791 5.8791 5.9679 5.9679 6.1752 6.1752 6.3389 6.3389 6.4210 6.4210 6.4425 6.4425 6.5015 6.5015 6.7528 6.7528 7.0519 7.0519 7.4336 7.4336 7.5684 7.5684 7.7123 7.7123 7.7782 7.7782 7.8054 7.8054 8.1569 8.1569 8.2738 8.2738 8.4849 8.4849 8.6607 8.6607 8.8748 8.8748 8.9184 8.9184 11.3933 11.3933 12.0097 12.0097 13.2056 13.2056 14.9797 14.9797 15.0761 15.0761 15.2739 15.2739 k = 0.2872 0.1658-0.0000 ( 3118 PWs) bands (ev): -4.7561 -4.7561 -4.3955 -4.3955 2.2499 2.2499 2.4277 2.4277 3.7117 3.7117 3.8824 3.8824 4.5181 4.5181 5.8041 5.8041 5.8344 5.8344 5.9269 5.9269 6.1631 6.1631 6.3404 6.3404 6.4290 6.4290 6.4502 6.4502 6.5052 6.5052 6.7702 6.7702 7.0693 7.0693 7.4425 7.4425 7.5623 7.5623 7.7202 7.7202 7.7857 7.7857 7.8044 7.8044 8.1739 8.1739 8.2310 8.2310 8.4145 8.4145 8.5726 8.5726 8.7902 8.7902 8.9285 8.9285 11.4299 11.4299 12.0672 12.0672 13.1038 13.1038 15.0242 15.0242 15.0786 15.0786 15.3738 15.3738 k = 0.2979 0.1720-0.0000 ( 3120 PWs) bands (ev): -4.7225 -4.7225 -4.3721 -4.3721 2.2027 2.2027 2.3896 2.3896 3.7360 3.7360 3.9100 3.9100 4.5304 4.5304 5.7664 5.7664 5.7882 5.7882 5.8834 5.8834 6.1513 6.1513 6.3428 6.3428 6.4331 6.4331 6.4595 6.4595 6.5129 6.5129 6.7886 6.7886 7.0869 7.0869 7.4496 7.4496 7.5567 7.5567 7.7278 7.7278 7.7930 7.7930 7.8036 7.8036 8.1515 8.1515 8.2321 8.2321 8.3477 8.3477 8.4876 8.4876 8.6950 8.6950 8.9475 8.9475 11.4635 11.4635 12.1234 12.1234 13.0043 13.0043 14.9922 14.9922 15.1601 15.1601 15.4800 15.4800 k = 0.3085 0.1781-0.0000 ( 3116 PWs) bands (ev): -4.6889 -4.6889 -4.3492 -4.3492 2.1568 2.1568 2.3533 2.3533 3.7602 3.7602 3.9374 3.9374 4.5427 4.5427 5.7291 5.7291 5.7414 5.7414 5.8379 5.8379 6.1402 6.1402 6.3462 6.3462 6.4339 6.4339 6.4703 6.4703 6.5239 6.5239 6.8079 6.8079 7.1048 7.1048 7.4542 7.4542 7.5522 7.5522 7.7348 7.7348 7.8000 7.8000 7.8034 7.8034 8.1115 8.1115 8.2540 8.2540 8.2846 8.2846 8.4073 8.4073 8.6007 8.6007 8.9643 8.9643 11.4942 11.4942 12.1777 12.1777 12.9074 12.9074 14.9612 14.9612 15.2432 15.2432 15.5912 15.5912 k = 0.3191 0.1843-0.0000 ( 3114 PWs) bands (ev): -4.6555 -4.6555 -4.3271 -4.3271 2.1126 2.1126 2.3189 2.3189 3.7842 3.7842 3.9646 3.9646 4.5548 4.5548 5.6888 5.6888 5.6978 5.6978 5.7908 5.7908 6.1293 6.1293 6.3506 6.3506 6.4325 6.4325 6.4826 6.4826 6.5374 6.5374 6.8281 6.8281 7.1225 7.1225 7.4559 7.4559 7.5495 7.5495 7.7414 7.7414 7.8033 7.8033 7.8067 7.8067 8.0731 8.0731 8.2229 8.2229 8.2713 8.2713 8.3398 8.3398 8.5083 8.5083 8.9781 8.9781 11.5221 11.5221 12.2299 12.2299 12.8135 12.8135 14.9346 14.9346 15.3249 15.3249 15.7059 15.7059 k = 0.3298 0.1904-0.0000 ( 3114 PWs) bands (ev): -4.6225 -4.6225 -4.3057 -4.3057 2.0701 2.0701 2.2863 2.2863 3.8079 3.8079 3.9914 3.9914 4.5669 4.5669 5.6421 5.6421 5.6615 5.6615 5.7425 5.7425 6.1189 6.1189 6.3558 6.3558 6.4299 6.4299 6.4963 6.4963 6.5525 6.5525 6.8490 6.8490 7.1399 7.1399 7.4543 7.4543 7.5490 7.5490 7.7474 7.7474 7.8035 7.8035 7.8130 7.8130 8.0381 8.0381 8.1634 8.1634 8.2377 8.2377 8.3279 8.3279 8.4185 8.4185 8.9887 8.9887 11.5474 11.5474 12.2796 12.2796 12.7229 12.7229 14.9124 14.9124 15.4054 15.4054 15.8226 15.8226 k = 0.3404 0.1965-0.0000 ( 3108 PWs) bands (ev): -4.5900 -4.5900 -4.2853 -4.2853 2.0296 2.0296 2.2556 2.2556 3.8311 3.8311 4.0176 4.0176 4.5788 4.5788 5.5944 5.5944 5.6277 5.6277 5.6938 5.6938 6.1089 6.1089 6.3617 6.3617 6.4268 6.4268 6.5114 6.5114 6.5684 6.5684 6.8704 6.8704 7.1571 7.1571 7.4498 7.4498 7.5507 7.5507 7.7527 7.7527 7.8040 7.8040 7.8189 7.8189 8.0068 8.0068 8.1033 8.1033 8.1778 8.1778 8.3241 8.3241 8.3572 8.3572 8.9961 8.9961 11.5701 11.5701 12.3265 12.3265 12.6361 12.6361 14.8945 14.8945 15.4847 15.4847 15.9397 15.9397 k = 0.3511 0.2027-0.0000 ( 3106 PWs) bands (ev): -4.5582 -4.5582 -4.2659 -4.2659 1.9910 1.9910 2.2270 2.2270 3.8537 3.8537 4.0430 4.0430 4.5905 4.5905 5.5474 5.5474 5.5955 5.5955 5.6448 5.6448 6.0996 6.0996 6.3684 6.3684 6.4235 6.4235 6.5279 6.5279 6.5846 6.5846 6.8921 6.8921 7.1736 7.1736 7.4428 7.4428 7.5544 7.5544 7.7571 7.7571 7.8045 7.8045 7.8244 7.8244 7.9783 7.9783 8.0418 8.0418 8.1223 8.1223 8.2430 8.2430 8.3804 8.3804 9.0003 9.0003 11.5906 11.5906 12.3705 12.3705 12.5533 12.5533 14.8805 14.8805 15.5628 15.5628 16.0560 16.0560 k = 0.3617 0.2088-0.0000 ( 3106 PWs) bands (ev): -4.5272 -4.5272 -4.2477 -4.2477 1.9545 1.9545 2.2003 2.2003 3.8756 3.8756 4.0676 4.0676 4.6020 4.6020 5.5015 5.5015 5.5646 5.5646 5.5964 5.5964 6.0907 6.0907 6.3754 6.3754 6.4205 6.4205 6.5458 6.5458 6.6010 6.6010 6.9140 6.9140 7.1891 7.1891 7.4341 7.4341 7.5595 7.5595 7.7606 7.7606 7.8050 7.8050 7.8293 7.8293 7.9493 7.9493 7.9829 7.9829 8.0732 8.0732 8.1626 8.1626 8.4078 8.4078 9.0015 9.0015 11.6088 11.6088 12.4114 12.4114 12.4748 12.4748 14.8701 14.8701 15.6395 15.6395 16.1700 16.1700 k = 0.3723 0.2150-0.0000 ( 3110 PWs) bands (ev): -4.4972 -4.4972 -4.2308 -4.2308 1.9202 1.9202 2.1757 2.1757 3.8965 3.8965 4.0912 4.0912 4.6132 4.6132 5.4573 5.4573 5.5343 5.5343 5.5498 5.5498 6.0824 6.0824 6.3824 6.3824 6.4183 6.4183 6.5651 6.5651 6.6172 6.6172 6.9357 6.9357 7.2035 7.2035 7.4245 7.4245 7.5658 7.5658 7.7630 7.7630 7.8052 7.8052 7.8332 7.8332 7.9044 7.9044 7.9433 7.9433 8.0272 8.0272 8.0889 8.0889 8.4354 8.4354 8.9997 8.9997 11.6251 11.6251 12.4008 12.4008 12.4493 12.4493 14.8631 14.8631 15.7145 15.7145 16.2803 16.2803 k = 0.3830 0.2211-0.0000 ( 3102 PWs) bands (ev): -4.4684 -4.4684 -4.2152 -4.2152 1.8883 1.8883 2.1531 2.1531 3.9166 3.9166 4.1136 4.1136 4.6240 4.6240 5.4153 5.4153 5.4985 5.4985 5.5119 5.5119 6.0747 6.0747 6.3885 6.3885 6.4178 6.4178 6.5857 6.5857 6.6332 6.6332 6.9573 6.9573 7.2166 7.2166 7.4146 7.4146 7.5728 7.5728 7.7635 7.7635 7.8049 7.8049 7.8317 7.8317 7.8524 7.8524 7.9190 7.9190 7.9783 7.9783 8.0295 8.0295 8.4630 8.4630 8.9952 8.9952 11.6396 11.6396 12.3318 12.3318 12.4838 12.4838 14.8590 14.8590 15.7872 15.7872 16.3858 16.3858 k = 0.3936 0.2273-0.0000 ( 3108 PWs) bands (ev): -4.4410 -4.4410 -4.2011 -4.2011 1.8587 1.8587 2.1325 2.1325 3.9354 3.9354 4.1346 4.1346 4.6345 4.6345 5.3759 5.3759 5.4554 5.4554 5.4846 5.4846 6.0675 6.0675 6.3921 6.3921 6.4205 6.4205 6.6076 6.6076 6.6487 6.6487 6.9781 6.9781 7.2279 7.2279 7.4047 7.4047 7.5802 7.5802 7.7574 7.7574 7.7902 7.7902 7.8055 7.8055 7.8412 7.8412 7.8904 7.8904 7.9315 7.9315 7.9887 7.9887 8.4904 8.4904 8.9881 8.9881 11.6523 11.6523 12.2679 12.2679 12.5151 12.5151 14.8573 14.8573 15.8572 15.8572 16.4851 16.4851 k = 0.4043 0.2334-0.0000 ( 3108 PWs) bands (ev): -4.4152 -4.4152 -4.1886 -4.1886 1.8317 1.8317 2.1140 2.1140 3.9529 3.9529 4.1542 4.1542 4.6443 4.6443 5.3396 5.3396 5.4136 5.4136 5.4604 5.4604 6.0610 6.0610 6.3930 6.3930 6.4266 6.4266 6.6305 6.6305 6.6637 6.6637 6.9982 6.9982 7.2376 7.2376 7.3955 7.3955 7.5880 7.5880 7.7217 7.7217 7.7693 7.7693 7.7982 7.7982 7.8271 7.8271 7.8600 7.8600 7.9066 7.9066 7.9593 7.9593 8.5174 8.5174 8.9786 8.9786 11.6634 11.6634 12.2093 12.2093 12.5432 12.5432 14.8578 14.8578 15.9239 15.9239 16.5772 16.5772 k = 0.4149 0.2395-0.0000 ( 3112 PWs) bands (ev): -4.3911 -4.3911 -4.1776 -4.1776 1.8072 1.8072 2.0974 2.0974 3.9690 3.9690 4.1721 4.1721 4.6536 4.6536 5.3067 5.3067 5.3743 5.3743 5.4383 5.4383 6.0552 6.0552 6.3920 6.3920 6.4350 6.4350 6.6539 6.6539 6.6782 6.6782 7.0172 7.0172 7.2451 7.2451 7.3874 7.3874 7.5956 7.5956 7.6735 7.6735 7.7455 7.7455 7.7758 7.7758 7.8117 7.8117 7.8557 7.8557 7.8930 7.8930 7.9367 7.9367 8.5439 8.5439 8.9671 8.9671 11.6731 11.6731 12.1563 12.1563 12.5681 12.5681 14.8598 14.8598 15.9865 15.9865 16.6609 16.6609 k = 0.4255 0.2457-0.0000 ( 3116 PWs) bands (ev): -4.3690 -4.3690 -4.1682 -4.1682 1.7855 1.7855 2.0829 2.0829 3.9835 3.9835 4.1882 4.1882 4.6621 4.6621 5.2773 5.2773 5.3380 5.3380 5.4187 5.4187 6.0500 6.0500 6.3904 6.3904 6.4444 6.4444 6.6765 6.6765 6.6930 6.6930 7.0349 7.0349 7.2503 7.2503 7.3805 7.3805 7.6001 7.6001 7.6309 7.6309 7.6926 7.6926 7.7665 7.7665 7.8083 7.8083 7.8562 7.8562 7.8835 7.8835 7.9194 7.9194 8.5698 8.5698 8.9539 8.9539 11.6813 11.6813 12.1091 12.1091 12.5899 12.5899 14.8631 14.8631 16.0444 16.0444 16.7356 16.7356 k = 0.4362 0.2518-0.0000 ( 3122 PWs) bands (ev): -4.3491 -4.3491 -4.1603 -4.1603 1.7665 1.7665 2.0704 2.0704 3.9963 3.9963 4.2025 4.2025 4.6699 4.6699 5.2519 5.2519 5.3052 5.3052 5.4012 5.4012 6.0455 6.0455 6.3886 6.3886 6.4539 6.4539 6.6947 6.6947 6.7111 6.7111 7.0510 7.0510 7.2533 7.2533 7.3750 7.3750 7.5783 7.5783 7.6189 7.6189 7.6385 7.6385 7.7591 7.7591 7.8062 7.8062 7.8562 7.8562 7.8769 7.8769 7.9067 7.9067 8.5947 8.5947 8.9393 8.9393 11.6883 11.6883 12.0678 12.0678 12.6086 12.6086 14.8670 14.8670 16.0967 16.0967 16.8005 16.8005 k = 0.4468 0.2580-0.0000 ( 3120 PWs) bands (ev): -4.3317 -4.3317 -4.1539 -4.1539 1.7503 1.7503 2.0598 2.0598 4.0074 4.0074 4.2149 4.2149 4.6767 4.6767 5.2307 5.2307 5.2763 5.2763 5.3861 5.3861 6.0417 6.0417 6.3869 6.3869 6.4631 6.4631 6.7073 6.7073 6.7331 6.7331 7.0654 7.0654 7.2543 7.2543 7.3705 7.3705 7.5435 7.5435 7.5866 7.5866 7.6278 7.6278 7.7506 7.7506 7.8046 7.8046 7.8550 7.8550 7.8736 7.8736 7.8977 7.8977 8.6186 8.6186 8.9239 8.9239 11.6941 11.6941 12.0326 12.0326 12.6243 12.6243 14.8712 14.8712 16.1428 16.1428 16.8553 16.8553 k = 0.4574 0.2641-0.0000 ( 3120 PWs) bands (ev): -4.3169 -4.3169 -4.1490 -4.1490 1.7370 1.7370 2.0512 2.0512 4.0167 4.0167 4.2251 4.2251 4.6825 4.6825 5.2139 5.2139 5.2515 5.2515 5.3735 5.3735 6.0386 6.0386 6.3854 6.3854 6.4713 6.4713 6.7167 6.7167 6.7550 6.7550 7.0776 7.0776 7.2537 7.2537 7.3667 7.3667 7.5130 7.5130 7.5432 7.5432 7.6365 7.6365 7.7410 7.7410 7.8033 7.8033 7.8528 7.8528 7.8726 7.8726 7.8916 7.8916 8.6407 8.6407 8.9083 8.9083 11.6988 11.6988 12.0037 12.0037 12.6371 12.6371 14.8753 14.8753 16.1817 16.1817 16.8998 16.8998 k = 0.4681 0.2702-0.0000 ( 3116 PWs) bands (ev): -4.3050 -4.3050 -4.1454 -4.1454 1.7266 1.7266 2.0446 2.0446 4.0239 4.0239 4.2331 4.2331 4.6872 4.6872 5.2013 5.2013 5.2310 5.2310 5.3637 5.3637 6.0361 6.0361 6.3842 6.3842 6.4783 6.4783 6.7240 6.7240 6.7747 6.7747 7.0875 7.0875 7.2522 7.2522 7.3632 7.3632 7.4884 7.4884 7.5080 7.5080 7.6457 7.6457 7.7309 7.7309 7.8023 7.8023 7.8506 7.8506 7.8728 7.8728 7.8875 7.8875 8.6605 8.6605 8.8936 8.8936 11.7023 11.7023 11.9810 11.9810 12.6469 12.6469 14.8789 14.8789 16.2129 16.2129 16.9342 16.9342 k = 0.4787 0.2764-0.0000 ( 3112 PWs) bands (ev): -4.2963 -4.2963 -4.1429 -4.1429 1.7191 1.7191 2.0398 2.0398 4.0291 4.0291 4.2389 4.2389 4.6905 4.6905 5.1933 5.1933 5.2154 5.2154 5.3566 5.3566 6.0344 6.0344 6.3833 6.3833 6.4836 6.4836 6.7292 6.7292 6.7905 6.7905 7.0948 7.0948 7.2504 7.2504 7.3596 7.3596 7.4706 7.4706 7.4827 7.4827 7.6544 7.6544 7.7212 7.7212 7.8015 7.8015 7.8489 7.8489 7.8733 7.8733 7.8848 7.8848 8.6767 8.6767 8.8809 8.8809 11.7048 11.7048 11.9648 11.9648 12.6539 12.6539 14.8817 14.8817 16.2357 16.2357 16.9585 16.9585 k = 0.4894 0.2825-0.0000 ( 3112 PWs) bands (ev): -4.2910 -4.2910 -4.1415 -4.1415 1.7146 1.7146 2.0370 2.0370 4.0323 4.0323 4.2424 4.2424 4.6926 4.6926 5.1893 5.1893 5.2051 5.2051 5.3522 5.3522 6.0333 6.0333 6.3827 6.3827 6.4869 6.4869 6.7323 6.7323 6.8007 6.8007 7.0993 7.0993 7.2490 7.2490 7.3566 7.3566 7.4599 7.4599 7.4675 7.4675 7.6614 7.6614 7.7136 7.7136 7.8010 7.8010 7.8479 7.8479 7.8738 7.8738 7.8832 7.8832 8.6876 8.6876 8.8720 8.8720 11.7063 11.7063 11.9550 11.9550 12.6581 12.6581 14.8834 14.8834 16.2496 16.2496 16.9730 16.9730 k = 0.5000 0.2887-0.0000 ( 3114 PWs) bands (ev): -4.2892 -4.2892 -4.1411 -4.1411 1.7131 1.7131 2.0360 2.0360 4.0333 4.0333 4.2435 4.2435 4.6933 4.6933 5.1883 5.1883 5.2013 5.2013 5.3508 5.3508 6.0329 6.0329 6.3825 6.3825 6.4880 6.4880 6.7334 6.7334 6.8043 6.8043 7.1008 7.1008 7.2484 7.2484 7.3554 7.3554 7.4564 7.4564 7.4625 7.4625 7.6643 7.6643 7.7104 7.7104 7.8009 7.8009 7.8475 7.8475 7.8740 7.8740 7.8827 7.8827 8.6915 8.6915 8.8688 8.8688 11.7068 11.7068 11.9517 11.9517 12.6595 12.6595 14.8840 14.8840 16.2543 16.2543 16.9779 16.9779 k = 0.5000 0.2887-0.0000 ( 3114 PWs) bands (ev): -4.2892 -4.2892 -4.1411 -4.1411 1.7131 1.7131 2.0360 2.0360 4.0333 4.0333 4.2435 4.2435 4.6933 4.6933 5.1883 5.1883 5.2013 5.2013 5.3508 5.3508 6.0329 6.0329 6.3825 6.3825 6.4880 6.4880 6.7334 6.7334 6.8043 6.8043 7.1008 7.1008 7.2484 7.2484 7.3554 7.3554 7.4564 7.4564 7.4625 7.4625 7.6643 7.6643 7.7104 7.7104 7.8009 7.8009 7.8475 7.8475 7.8740 7.8740 7.8827 7.8827 8.6915 8.6915 8.8688 8.8688 11.7068 11.7068 11.9517 11.9517 12.6595 12.6595 14.8840 14.8840 16.2543 16.2543 16.9779 16.9779 k = 0.4938 0.2994-0.0000 ( 3108 PWs) bands (ev): -4.2889 -4.2889 -4.1409 -4.1409 1.7146 1.7146 2.0375 2.0375 4.0314 4.0314 4.2420 4.2420 4.6934 4.6934 5.1895 5.1895 5.2025 5.2025 5.3491 5.3491 6.0351 6.0351 6.3833 6.3833 6.4841 6.4841 6.7333 6.7333 6.7987 6.7987 7.0999 7.0999 7.2481 7.2481 7.3536 7.3536 7.4498 7.4498 7.4581 7.4581 7.6650 7.6650 7.7142 7.7142 7.8043 7.8043 7.8501 7.8501 7.8748 7.8748 7.8837 7.8837 8.6914 8.6914 8.8685 8.8685 11.7159 11.7159 11.9524 11.9524 12.6677 12.6677 14.8851 14.8851 16.2530 16.2530 16.9773 16.9773 k = 0.4877 0.3101-0.0000 ( 3108 PWs) bands (ev): -4.2878 -4.2878 -4.1404 -4.1404 1.7190 1.7190 2.0420 2.0420 4.0256 4.0256 4.2375 4.2375 4.6938 4.6938 5.1929 5.1929 5.2061 5.2061 5.3440 5.3440 6.0415 6.0415 6.3855 6.3855 6.4725 6.4725 6.7330 6.7330 6.7824 6.7824 7.0971 7.0971 7.2471 7.2471 7.3470 7.3470 7.4316 7.4316 7.4468 7.4468 7.6666 7.6666 7.7239 7.7239 7.8137 7.8137 7.8576 7.8576 7.8769 7.8769 7.8867 7.8867 8.6911 8.6911 8.8678 8.8678 11.7430 11.7430 11.9544 11.9544 12.6921 12.6921 14.8883 14.8883 16.2493 16.2493 16.9757 16.9757 k = 0.4815 0.3208-0.0000 ( 3112 PWs) bands (ev): -4.2861 -4.2861 -4.1396 -4.1396 1.7263 1.7263 2.0493 2.0493 4.0158 4.0158 4.2299 4.2299 4.6945 4.6945 5.1985 5.1985 5.2120 5.2120 5.3357 5.3357 6.0518 6.0518 6.3888 6.3888 6.4540 6.4540 6.7310 6.7310 6.7576 6.7576 7.0926 7.0926 7.2446 7.2446 7.3332 7.3332 7.4047 7.4047 7.4335 7.4335 7.6684 7.6684 7.7365 7.7365 7.8269 7.8269 7.8686 7.8686 7.8816 7.8816 7.8925 7.8925 8.6907 8.6907 8.8666 8.8666 11.7876 11.7876 11.9578 11.9578 12.7324 12.7324 14.8935 14.8935 16.2432 16.2432 16.9726 16.9726 k = 0.4753 0.3314-0.0000 ( 3108 PWs) bands (ev): -4.2837 -4.2837 -4.1384 -4.1384 1.7366 1.7366 2.0597 2.0597 4.0021 4.0021 4.2192 4.2192 4.6955 4.6955 5.2064 5.2064 5.2201 5.2201 5.3247 5.3247 6.0657 6.0657 6.3911 6.3911 6.4315 6.4315 6.7132 6.7132 6.7399 6.7399 7.0863 7.0863 7.2399 7.2399 7.3102 7.3102 7.3725 7.3725 7.4234 7.4234 7.6696 7.6696 7.7496 7.7496 7.8407 7.8407 7.8781 7.8781 7.8933 7.8933 7.9024 7.9024 8.6901 8.6901 8.8648 8.8648 11.8491 11.8491 11.9626 11.9626 12.7882 12.7882 14.9008 14.9008 16.2346 16.2346 16.8986 16.8986 k = 0.4691 0.3421-0.0000 ( 3108 PWs) bands (ev): -4.2806 -4.2806 -4.1370 -4.1370 1.7498 1.7498 2.0730 2.0730 3.9842 3.9842 4.2054 4.2054 4.6968 4.6968 5.2165 5.2165 5.2302 5.2302 5.3115 5.3115 6.0829 6.0829 6.3807 6.3807 6.4173 6.4173 6.6725 6.6725 6.7375 6.7375 7.0784 7.0784 7.2310 7.2310 7.2786 7.2786 7.3378 7.3378 7.4180 7.4180 7.6700 7.6700 7.7619 7.7619 7.8524 7.8524 7.8841 7.8841 7.9123 7.9123 7.9177 7.9177 8.6893 8.6893 8.8626 8.8626 11.9257 11.9257 11.9697 11.9697 12.8588 12.8588 14.9099 14.9099 16.2236 16.2236 16.7430 16.7430 k = 0.4630 0.3528-0.0000 ( 3112 PWs) bands (ev): -4.2768 -4.2768 -4.1353 -4.1353 1.7659 1.7659 2.0891 2.0891 3.9623 3.9623 4.1882 4.1882 4.6984 4.6984 5.2288 5.2288 5.2419 5.2419 5.2970 5.2970 6.1027 6.1027 6.3497 6.3497 6.4205 6.4205 6.6240 6.6240 6.7371 6.7371 7.0688 7.0688 7.2131 7.2131 7.2431 7.2431 7.3043 7.3043 7.4162 7.4162 7.6694 7.6694 7.7730 7.7730 7.8612 7.8612 7.8897 7.8897 7.9340 7.9340 7.9383 7.9383 8.6884 8.6884 8.8600 8.8600 11.9723 11.9723 12.0231 12.0231 12.9435 12.9435 14.9210 14.9210 16.2101 16.2101 16.5916 16.5916 k = 0.4568 0.3635-0.0000 ( 3122 PWs) bands (ev): -4.2725 -4.2725 -4.1334 -4.1334 1.7848 1.7848 2.1082 2.1082 3.9361 3.9361 4.1675 4.1675 4.7004 4.7004 5.2430 5.2430 5.2524 5.2524 5.2844 5.2844 6.1246 6.1246 6.3105 6.3105 6.4297 6.4297 6.5707 6.5707 6.7366 6.7366 7.0576 7.0576 7.1796 7.1796 7.2087 7.2087 7.2770 7.2770 7.4167 7.4167 7.6681 7.6681 7.7829 7.7829 7.8679 7.8679 7.8956 7.8956 7.9569 7.9569 7.9619 7.9619 8.6873 8.6873 8.8568 8.8568 11.9812 11.9812 12.1293 12.1293 13.0415 13.0415 14.9337 14.9337 16.1943 16.1943 16.4454 16.4454 k = 0.4506 0.3742-0.0000 ( 3118 PWs) bands (ev): -4.2675 -4.2675 -4.1312 -4.1312 1.8066 1.8066 2.1302 2.1302 3.9057 3.9057 4.1434 4.1434 4.7028 4.7028 5.2478 5.2478 5.2612 5.2612 5.2861 5.2861 6.1481 6.1481 6.2679 6.2679 6.4412 6.4412 6.5148 6.5148 6.7359 6.7359 7.0447 7.0447 7.1349 7.1349 7.1722 7.1722 7.2576 7.2576 7.4187 7.4187 7.6659 7.6659 7.7918 7.7918 7.8735 7.8735 7.9017 7.9017 7.9807 7.9807 7.9866 7.9866 8.6862 8.6862 8.8532 8.8532 11.9900 11.9900 12.2497 12.2497 13.1519 13.1519 14.9480 14.9480 16.1760 16.1760 16.3048 16.3048 k = 0.4444 0.3849-0.0000 ( 3126 PWs) bands (ev): -4.2620 -4.2620 -4.1289 -4.1289 1.8313 1.8313 2.1550 2.1550 3.8709 3.8709 4.1156 4.1156 4.7056 4.7056 5.2320 5.2320 5.2797 5.2797 5.3020 5.3020 6.1725 6.1725 6.2236 6.2236 6.4503 6.4503 6.4617 6.4617 6.7343 6.7343 7.0293 7.0293 7.0853 7.0853 7.1324 7.1324 7.2429 7.2429 7.4216 7.4216 7.6630 7.6630 7.7997 7.7997 7.8784 7.8784 7.9080 7.9080 8.0044 8.0044 8.0110 8.0110 8.6851 8.6851 8.8491 8.8491 11.9993 11.9993 12.3824 12.3824 13.2736 13.2736 14.9636 14.9636 16.1551 16.1551 16.1706 16.1706 k = 0.4383 0.3956-0.0000 ( 3126 PWs) bands (ev): -4.2559 -4.2559 -4.1264 -4.1264 1.8587 1.8587 2.1826 2.1826 3.8318 3.8318 4.0840 4.0840 4.7089 4.7089 5.2124 5.2124 5.3007 5.3007 5.3227 5.3227 6.1788 6.1788 6.1964 6.1964 6.4003 6.4003 6.4699 6.4699 6.7312 6.7312 7.0093 7.0093 7.0347 7.0347 7.0928 7.0928 7.2299 7.2299 7.4252 7.4252 7.6592 7.6592 7.8069 7.8069 7.8831 7.8831 7.9144 7.9144 8.0278 8.0278 8.0348 8.0348 8.6839 8.6839 8.8446 8.8446 12.0090 12.0090 12.5260 12.5260 13.4057 13.4057 14.9804 14.9804 16.0421 16.0421 16.1327 16.1327 k = 0.4321 0.4063-0.0000 ( 3132 PWs) bands (ev): -4.2493 -4.2493 -4.1238 -4.1238 1.8888 1.8888 2.2130 2.2130 3.7885 3.7885 4.0486 4.0486 4.7127 4.7127 5.1915 5.1915 5.3241 5.3241 5.3462 5.3462 6.1346 6.1346 6.2164 6.2164 6.3489 6.3489 6.4853 6.4853 6.7259 6.7259 6.9722 6.9722 6.9948 6.9948 7.0571 7.0571 7.2174 7.2174 7.4293 7.4293 7.6549 7.6549 7.8133 7.8133 7.8874 7.8874 7.9205 7.9205 8.0502 8.0502 8.0577 8.0577 8.6827 8.6827 8.8397 8.8397 12.0190 12.0190 12.6796 12.6796 13.5473 13.5473 14.9981 14.9981 15.9207 15.9207 16.1075 16.1075 k = 0.4259 0.4170-0.0000 ( 3126 PWs) bands (ev): -4.2422 -4.2422 -4.1212 -4.1212 1.9217 1.9217 2.2461 2.2461 3.7411 3.7411 4.0092 4.0092 4.7170 4.7170 5.1700 5.1700 5.3495 5.3495 5.3720 5.3720 6.0917 6.0917 6.2210 6.2210 6.3150 6.3150 6.5016 6.5016 6.7171 6.7171 6.9188 6.9188 6.9644 6.9644 7.0286 7.0286 7.2047 7.2047 7.4338 7.4338 7.6499 7.6499 7.8191 7.8191 7.8918 7.8918 7.9266 7.9266 8.0717 8.0717 8.0793 8.0793 8.6817 8.6817 8.8343 8.8343 12.0291 12.0291 12.8420 12.8420 13.6973 13.6973 15.0164 15.0164 15.8064 15.8064 16.0802 16.0802 k = 0.4198 0.4277-0.0000 ( 3122 PWs) bands (ev): -4.2348 -4.2348 -4.1186 -4.1186 1.9572 1.9572 2.2819 2.2819 3.6897 3.6897 3.9658 3.9658 4.7219 4.7219 5.1481 5.1481 5.3771 5.3771 5.3998 5.3998 6.0510 6.0510 6.1934 6.1934 6.3155 6.3155 6.5184 6.5184 6.7030 6.7030 6.8625 6.8625 6.9334 6.9334 7.0067 7.0067 7.1918 7.1918 7.4387 7.4387 7.6443 7.6443 7.8243 7.8243 7.8960 7.8960 7.9325 7.9325 8.0917 8.0917 8.0996 8.0996 8.6807 8.6807 8.8286 8.8286 12.0391 12.0391 13.0123 13.0123 13.8547 13.8547 15.0351 15.0351 15.6994 15.6994 16.0509 16.0509 k = 0.4136 0.4384-0.0000 ( 3122 PWs) bands (ev): -4.2269 -4.2269 -4.1161 -4.1161 1.9952 1.9952 2.3203 2.3203 3.6347 3.6347 3.9186 3.9186 4.7273 4.7273 5.1263 5.1263 5.4066 5.4066 5.4297 5.4297 6.0128 6.0128 6.1493 6.1493 6.3350 6.3350 6.5351 6.5351 6.6818 6.6818 6.8054 6.8054 6.9052 6.9052 6.9886 6.9886 7.1785 7.1785 7.4439 7.4439 7.6381 7.6381 7.8289 7.8289 7.9002 7.9002 7.9380 7.9380 8.1103 8.1103 8.1183 8.1183 8.6800 8.6800 8.8226 8.8226 12.0487 12.0487 13.1894 13.1894 14.0183 14.0183 15.0537 15.0537 15.6002 15.6002 16.0196 16.0196 k = 0.4074 0.4491-0.0000 ( 3122 PWs) bands (ev): -4.2188 -4.2188 -4.1137 -4.1137 2.0357 2.0357 2.3613 2.3613 3.5763 3.5763 3.8675 3.8675 4.7335 4.7335 5.1044 5.1044 5.4383 5.4383 5.4615 5.4615 5.9777 5.9777 6.1033 6.1033 6.3594 6.3594 6.5504 6.5504 6.6530 6.6530 6.7482 6.7482 6.8828 6.8828 6.9728 6.9728 7.1649 7.1649 7.4494 7.4494 7.6315 7.6315 7.8330 7.8330 7.9042 7.9042 7.9431 7.9431 8.1275 8.1275 8.1355 8.1355 8.6795 8.6795 8.8161 8.8161 12.0578 12.0578 13.3724 13.3724 14.1871 14.1871 15.0719 15.0719 15.5089 15.5089 15.9864 15.9864 k = 0.4012 0.4597-0.0000 ( 3120 PWs) bands (ev): -4.2104 -4.2104 -4.1114 -4.1114 2.0786 2.0786 2.4047 2.4047 3.5151 3.5151 3.8128 3.8128 4.7403 4.7403 5.0827 5.0827 5.4719 5.4719 5.4951 5.4951 5.9457 5.9457 6.0592 6.0592 6.3848 6.3848 6.5610 6.5610 6.6189 6.6189 6.6930 6.6930 6.8668 6.8668 6.9588 6.9588 7.1512 7.1512 7.4550 7.4550 7.6244 7.6244 7.8366 7.8366 7.9080 7.9080 7.9479 7.9479 8.1431 8.1431 8.1511 8.1511 8.6793 8.6793 8.8094 8.8094 12.0662 12.0662 13.5601 13.5601 14.3598 14.3598 15.0893 15.0893 15.4260 15.4260 15.9515 15.9515 k = 0.3951 0.4704-0.0000 ( 3120 PWs) bands (ev): -4.2019 -4.2019 -4.1095 -4.1095 2.1237 2.1237 2.4504 2.4504 3.4514 3.4514 3.7548 3.7548 4.7478 4.7478 5.0612 5.0612 5.5074 5.5074 5.5306 5.5306 5.9172 5.9172 6.0184 6.0184 6.4095 6.4095 6.5515 6.5515 6.5881 6.5881 6.6479 6.6479 6.8558 6.8558 6.9465 6.9465 7.1375 7.1375 7.4609 7.4609 7.6169 7.6169 7.8396 7.8396 7.9117 7.9117 7.9523 7.9523 8.1572 8.1572 8.1652 8.1652 8.6795 8.6795 8.8024 8.8024 12.0737 12.0737 13.7515 13.7515 14.5348 14.5348 15.1054 15.1054 15.3517 15.3517 15.9151 15.9151 k = 0.3889 0.4811-0.0000 ( 3124 PWs) bands (ev): -4.1932 -4.1932 -4.1079 -4.1079 2.1709 2.1709 2.4984 2.4984 3.3860 3.3860 3.6939 3.6939 4.7560 4.7560 5.0400 5.0400 5.5447 5.5447 5.5678 5.5678 5.8921 5.8921 5.9815 5.9815 6.4309 6.4309 6.5153 6.5153 6.5495 6.5495 6.6346 6.6346 6.8481 6.8481 6.9361 6.9361 7.1238 7.1238 7.4669 7.4669 7.6092 7.6092 7.8423 7.8423 7.9151 7.9151 7.9562 7.9562 8.1698 8.1698 8.1777 8.1777 8.6802 8.6802 8.7951 8.7951 12.0801 12.0801 13.9454 13.9454 14.7104 14.7104 15.1198 15.1198 15.2863 15.2863 15.8775 15.8775 k = 0.3827 0.4918-0.0000 ( 3128 PWs) bands (ev): -4.1845 -4.1845 -4.1068 -4.1068 2.2199 2.2199 2.5484 2.5484 3.3194 3.3194 3.6304 3.6304 4.7650 4.7650 5.0192 5.0192 5.5836 5.5836 5.6067 5.6067 5.8705 5.8705 5.9489 5.9489 6.4344 6.4344 6.4856 6.4856 6.4964 6.4964 6.6417 6.6417 6.8423 6.8423 6.9279 6.9279 7.1105 7.1105 7.4730 7.4730 7.6013 7.6013 7.8445 7.8445 7.9182 7.9182 7.9598 7.9598 8.1808 8.1808 8.1886 8.1886 8.6813 8.6813 8.7876 8.7876 12.0853 12.0853 14.1402 14.1402 14.8843 14.8843 15.1319 15.1319 15.2300 15.2300 15.8391 15.8391 k = 0.3765 0.5025-0.0000 ( 3132 PWs) bands (ev): -4.1758 -4.1758 -4.1061 -4.1061 2.2704 2.2704 2.6002 2.6002 3.2523 3.2523 3.5651 3.5651 4.7748 4.7748 4.9988 4.9988 5.6239 5.6239 5.6471 5.6471 5.8522 5.8522 5.9206 5.9206 6.3960 6.3960 6.4390 6.4390 6.4940 6.4940 6.6525 6.6525 6.8376 6.8376 6.9222 6.9222 7.0976 7.0976 7.4792 7.4792 7.5934 7.5934 7.8463 7.8463 7.9210 7.9210 7.9629 7.9629 8.1903 8.1903 8.1980 8.1980 8.6831 8.6831 8.7799 8.7799 12.0894 12.0894 14.3341 14.3341 15.0533 15.0533 15.1410 15.1410 15.1834 15.1834 15.8002 15.8002 k = 0.3704 0.5132-0.0000 ( 3138 PWs) bands (ev): -4.1672 -4.1672 -4.1061 -4.1061 2.3220 2.3220 2.6534 2.6534 3.1857 3.1857 3.4986 3.4986 4.7855 4.7855 4.9789 4.9789 5.6652 5.6652 5.6887 5.6887 5.8372 5.8372 5.8970 5.8970 6.3443 6.3443 6.3818 6.3818 6.5117 6.5117 6.6627 6.6627 6.8338 6.8338 6.9190 6.9190 7.0855 7.0855 7.4853 7.4853 7.5855 7.5855 7.8478 7.8478 7.9236 7.9236 7.9656 7.9656 8.1983 8.1983 8.2058 8.2058 8.6857 8.6857 8.7721 8.7721 12.0922 12.0922 14.5245 14.5245 15.1386 15.1386 15.1539 15.1539 15.2138 15.2138 15.7619 15.7619 k = 0.3642 0.5239-0.0000 ( 3146 PWs) bands (ev): -4.1588 -4.1588 -4.1067 -4.1067 2.3739 2.3739 2.7076 2.7076 3.1207 3.1207 3.4317 3.4317 4.7970 4.7970 4.9593 4.9593 5.7067 5.7067 5.7310 5.7310 5.8256 5.8256 5.8784 5.8784 6.2898 6.2898 6.3256 6.3256 6.5292 6.5292 6.6708 6.6708 6.8310 6.8310 6.9180 6.9180 7.0742 7.0742 7.4913 7.4913 7.5779 7.5779 7.8490 7.8490 7.9257 7.9257 7.9679 7.9679 8.2048 8.2048 8.2122 8.2122 8.6891 8.6891 8.7640 8.7640 12.0939 12.0939 14.7079 14.7079 15.1139 15.1139 15.1532 15.1532 15.3589 15.3589 15.7254 15.7254 k = 0.3580 0.5346-0.0000 ( 3154 PWs) bands (ev): -4.1507 -4.1507 -4.1080 -4.1080 2.4252 2.4252 2.7620 2.7620 3.0586 3.0586 3.3658 3.3658 4.8095 4.8095 4.9403 4.9403 5.7468 5.7468 5.7724 5.7724 5.8179 5.8179 5.8663 5.8663 6.2350 6.2350 6.2713 6.2713 6.5448 6.5448 6.6765 6.6765 6.8292 6.8292 6.9187 6.9187 7.0642 7.0642 7.4969 7.4969 7.5708 7.5708 7.8499 7.8499 7.9275 7.9275 7.9697 7.9697 8.2099 8.2099 8.2173 8.2173 8.6934 8.6934 8.7559 8.7559 12.0946 12.0946 14.8788 14.8788 15.0949 15.0949 15.1522 15.1522 15.4815 15.4815 15.6939 15.6939 k = 0.3519 0.5453-0.0000 ( 3158 PWs) bands (ev): -4.1430 -4.1430 -4.1102 -4.1102 2.4737 2.4737 2.8148 2.8148 3.0020 3.0020 3.3026 3.3026 4.8229 4.8229 4.9218 4.9218 5.7801 5.7801 5.8018 5.8018 5.8221 5.8221 5.8671 5.8671 6.1810 6.1810 6.2209 6.2209 6.5575 6.5575 6.6797 6.6797 6.8284 6.8284 6.9203 6.9203 7.0559 7.0559 7.5019 7.5019 7.5645 7.5645 7.8505 7.8505 7.9289 7.9289 7.9712 7.9712 8.2138 8.2138 8.2211 8.2211 8.6986 8.6986 8.7475 8.7475 12.0946 12.0946 15.0285 15.0285 15.0847 15.0847 15.1478 15.1478 15.5712 15.5712 15.6742 15.6742 k = 0.3457 0.5560-0.0000 ( 3154 PWs) bands (ev): -4.1357 -4.1357 -4.1134 -4.1134 2.5161 2.5161 2.8631 2.8631 2.9544 2.9544 3.2458 3.2458 4.8372 4.8372 4.9037 4.9037 5.7947 5.7947 5.8074 5.8074 5.8473 5.8473 5.8912 5.8912 6.1292 6.1292 6.1768 6.1768 6.5668 6.5668 6.6811 6.6811 6.8285 6.8285 6.9225 6.9225 7.0496 7.0496 7.5061 7.5061 7.5596 7.5596 7.8510 7.8510 7.9300 7.9300 7.9723 7.9723 8.2164 8.2164 8.2237 8.2237 8.7048 8.7048 8.7390 8.7390 12.0942 12.0942 15.0826 15.0826 15.1322 15.1322 15.1526 15.1526 15.6141 15.6141 15.6814 15.6814 k = 0.3395 0.5667-0.0000 ( 3156 PWs) bands (ev): -4.1289 -4.1289 -4.1175 -4.1175 2.5466 2.5466 2.8996 2.8996 2.9220 2.9220 3.2026 3.2026 4.8524 4.8524 4.8861 4.8861 5.7959 5.7959 5.8089 5.8089 5.8708 5.8708 5.9269 5.9269 6.0839 6.0839 6.1446 6.1446 6.5725 6.5725 6.6815 6.6815 6.8289 6.8289 6.9242 6.9242 7.0458 7.0458 7.5088 7.5088 7.5563 7.5563 7.8512 7.8512 7.9306 7.9306 7.9729 7.9729 8.2180 8.2180 8.2252 8.2252 8.7118 8.7118 8.7305 8.7305 12.0936 12.0936 15.0892 15.0892 15.1245 15.1245 15.2174 15.2174 15.6292 15.6292 15.7007 15.7007 k = 0.3333 0.5774-0.0000 ( 3156 PWs) bands (ev): -4.1227 -4.1227 -4.1227 -4.1227 2.5579 2.5579 2.9119 2.9119 2.9124 2.9124 3.1856 3.1856 4.8665 4.8665 4.8712 4.8712 5.7957 5.7957 5.8088 5.8088 5.8807 5.8807 5.9468 5.9468 6.0616 6.0616 6.1322 6.1322 6.5744 6.5744 6.6816 6.6816 6.8291 6.8291 6.9248 6.9248 7.0445 7.0445 7.5097 7.5097 7.5551 7.5551 7.8513 7.8513 7.9308 7.9308 7.9731 7.9731 8.2184 8.2184 8.2256 8.2256 8.7178 8.7178 8.7241 8.7241 12.0933 12.0933 15.0991 15.0991 15.1129 15.1129 15.2381 15.2381 15.6375 15.6375 15.7071 15.7071 k = 0.3333 0.5774-0.0000 ( 3156 PWs) bands (ev): -4.1227 -4.1227 -4.1227 -4.1227 2.5579 2.5579 2.9119 2.9119 2.9124 2.9124 3.1856 3.1856 4.8665 4.8665 4.8712 4.8712 5.7957 5.7957 5.8088 5.8088 5.8807 5.8807 5.9468 5.9468 6.0616 6.0616 6.1322 6.1322 6.5744 6.5744 6.6816 6.6816 6.8291 6.8291 6.9248 6.9248 7.0445 7.0445 7.5097 7.5097 7.5551 7.5551 7.8513 7.8513 7.9308 7.9308 7.9731 7.9731 8.2184 8.2184 8.2256 8.2256 8.7178 8.7178 8.7241 8.7241 12.0933 12.0933 15.0991 15.0991 15.1129 15.1129 15.2381 15.2381 15.6375 15.6375 15.7071 15.7071 k = 0.3272 0.5667-0.0000 ( 3160 PWs) bands (ev): -4.1291 -4.1291 -4.1173 -4.1173 2.5470 2.5470 2.8935 2.8935 2.9281 2.9281 3.2022 3.2022 4.8521 4.8521 4.8864 4.8864 5.7959 5.7959 5.8091 5.8091 5.8709 5.8709 5.9260 5.9260 6.0844 6.0844 6.1446 6.1446 6.5726 6.5726 6.6815 6.6815 6.8288 6.8288 6.9241 6.9241 7.0457 7.0457 7.5089 7.5089 7.5561 7.5561 7.8513 7.8513 7.9306 7.9306 7.9729 7.9729 8.2180 8.2180 8.2252 8.2252 8.7112 8.7112 8.7312 8.7312 12.0938 12.0938 15.0836 15.0836 15.1302 15.1302 15.2229 15.2229 15.6235 15.6235 15.7010 15.7010 k = 0.3210 0.5560-0.0000 ( 3156 PWs) bands (ev): -4.1368 -4.1368 -4.1127 -4.1127 2.5191 2.5191 2.8527 2.8527 2.9647 2.9647 3.2435 3.2435 4.8362 4.8362 4.9046 4.9046 5.7956 5.7956 5.8088 5.8088 5.8486 5.8486 5.8847 5.8847 6.1319 6.1319 6.1772 6.1772 6.5679 6.5679 6.6815 6.6815 6.8277 6.8277 6.9219 6.9219 7.0490 7.0490 7.5069 7.5069 7.5588 7.5588 7.8511 7.8511 7.9300 7.9300 7.9723 7.9723 8.2167 8.2167 8.2240 8.2240 8.7019 8.7019 8.7418 8.7418 12.0953 12.0953 15.0591 15.0591 15.1589 15.1589 15.1871 15.1871 15.5824 15.5824 15.6769 15.6769 k = 0.3148 0.5453-0.0000 ( 3152 PWs) bands (ev): -4.1457 -4.1457 -4.1089 -4.1089 2.4817 2.4817 2.8019 2.8019 3.0145 3.0145 3.2975 3.2975 4.8206 4.8206 4.9241 4.9241 5.7844 5.7844 5.8051 5.8051 5.8335 5.8335 5.8409 5.8409 6.1875 6.1875 6.2220 6.2220 6.5608 6.5608 6.6811 6.6811 6.8258 6.8258 6.9185 6.9185 7.0537 7.0537 7.5045 7.5045 7.5625 7.5625 7.8507 7.8507 7.9289 7.9289 7.9712 7.9712 8.2148 8.2148 8.2223 8.2223 8.6920 8.6920 8.7538 8.7538 12.0985 12.0985 15.0310 15.0310 15.1328 15.1328 15.1997 15.1997 15.5211 15.5211 15.6299 15.6299 k = 0.3086 0.5346-0.0000 ( 3150 PWs) bands (ev): -4.1561 -4.1561 -4.1062 -4.1062 2.4405 2.4405 2.7476 2.7476 3.0718 3.0718 3.3574 3.3574 4.8054 4.8054 4.9447 4.9447 5.7524 5.7524 5.7862 5.7862 5.8170 5.8170 5.8345 5.8345 6.2468 6.2468 6.2740 6.2740 6.5522 6.5522 6.6802 6.6802 6.8230 6.8230 6.9142 6.9142 7.0593 7.0593 7.5022 7.5022 7.5665 7.5665 7.8502 7.8502 7.9274 7.9274 7.9696 7.9696 8.2123 8.2123 8.2202 8.2202 8.6816 8.6816 8.7669 8.7669 12.1037 12.1037 14.9999 14.9999 15.0712 15.0712 15.2436 15.2436 15.4452 15.4452 15.5637 15.5637 k = 0.3025 0.5239-0.0000 ( 3144 PWs) bands (ev): -4.1678 -4.1678 -4.1045 -4.1045 2.3987 2.3987 2.6931 2.6931 3.1332 3.1332 3.4199 3.4199 4.7907 4.7907 4.9662 4.9662 5.7142 5.7142 5.7449 5.7449 5.8201 5.8201 5.8413 5.8413 6.3085 6.3085 6.3304 6.3304 6.5423 6.5423 6.6787 6.6787 6.8194 6.8194 6.9091 6.9091 7.0652 7.0652 7.5003 7.5003 7.5707 7.5707 7.8497 7.8497 7.9254 7.9254 7.9676 7.9676 8.2094 8.2094 8.2181 8.2181 8.6706 8.6706 8.7811 8.7811 12.1114 12.1114 14.9662 14.9662 14.9998 14.9998 15.2923 15.2923 15.3595 15.3595 15.4856 15.4856 k = 0.2963 0.5132-0.0000 ( 3140 PWs) bands (ev): -4.1810 -4.1810 -4.1039 -4.1039 2.3581 2.3581 2.6400 2.6400 3.1966 3.1966 3.4834 3.4834 4.7763 4.7763 4.9888 4.9888 5.6757 5.6757 5.7037 5.7037 5.8274 5.8274 5.8504 5.8504 6.3714 6.3714 6.3896 6.3896 6.5320 6.5320 6.6768 6.6768 6.8151 6.8151 6.9036 6.9036 7.0707 7.0707 7.4991 7.4991 7.5748 7.5748 7.8490 7.8490 7.9231 7.9231 7.9652 7.9652 8.2062 8.2062 8.2161 8.2161 8.6590 8.6590 8.7962 8.7962 12.1219 12.1219 14.9148 14.9148 14.9343 14.9343 15.2564 15.2564 15.3551 15.3551 15.4025 15.4025 k = 0.2901 0.5025-0.0000 ( 3124 PWs) bands (ev): -4.1957 -4.1957 -4.1046 -4.1046 2.3199 2.3199 2.5892 2.5892 3.2608 3.2608 3.5466 3.5466 4.7623 4.7623 5.0125 5.0125 5.6387 5.6387 5.6654 5.6654 5.8365 5.8365 5.8611 5.8611 6.4347 6.4347 6.4508 6.4508 6.5217 6.5217 6.6750 6.6750 6.8102 6.8102 6.8982 6.8982 7.0758 7.0758 7.4988 7.4988 7.5787 7.5787 7.8481 7.8481 7.9204 7.9204 7.9622 7.9622 8.2028 8.2028 8.2147 8.2147 8.6466 8.6466 8.8121 8.8121 12.1357 12.1357 14.8234 14.8234 14.8973 14.8973 15.1527 15.1527 15.3193 15.3193 15.4165 15.4165 k = 0.2840 0.4918-0.0000 ( 3116 PWs) bands (ev): -4.2119 -4.2119 -4.1065 -4.1065 2.2847 2.2847 2.5413 2.5413 3.3246 3.3246 3.6084 3.6084 4.7486 4.7486 5.0372 5.0372 5.6045 5.6045 5.6308 5.6308 5.8471 5.8471 5.8729 5.8729 6.4938 6.4938 6.5060 6.5060 6.5216 6.5216 6.6743 6.6743 6.8049 6.8049 6.8933 6.8933 7.0799 7.0799 7.4993 7.4993 7.5822 7.5822 7.8471 7.8471 7.9173 7.9173 7.9587 7.9587 8.1993 8.1993 8.2140 8.2140 8.6334 8.6334 8.8287 8.8287 12.1529 12.1529 14.7205 14.7205 14.8610 14.8610 15.0415 15.0415 15.2399 15.2399 15.4840 15.4840 k = 0.2778 0.4811-0.0000 ( 3126 PWs) bands (ev): -4.2296 -4.2296 -4.1098 -4.1098 2.2530 2.2530 2.4966 2.4966 3.3872 3.3872 3.6680 3.6680 4.7352 4.7352 5.0630 5.0630 5.5737 5.5737 5.6005 5.6005 5.8588 5.8588 5.8857 5.8857 6.4963 6.4963 6.5531 6.5531 6.5809 6.5809 6.6778 6.6778 6.7994 6.7994 6.8904 6.8904 7.0829 7.0829 7.5006 7.5006 7.5851 7.5851 7.8456 7.8456 7.9136 7.9136 7.9545 7.9545 8.1959 8.1959 8.2144 8.2144 8.6193 8.6193 8.8456 8.8456 12.1739 12.1739 14.6080 14.6080 14.8249 14.8249 14.9250 14.9250 15.1655 15.1655 15.5565 15.5565 k = 0.2716 0.4704-0.0000 ( 3126 PWs) bands (ev): -4.2488 -4.2488 -4.1144 -4.1144 2.2251 2.2251 2.4556 2.4556 3.4476 3.4476 3.7246 3.7246 4.7221 4.7221 5.0900 5.0900 5.5472 5.5472 5.5753 5.5753 5.8714 5.8714 5.8994 5.8994 6.4860 6.4860 6.5922 6.5922 6.6450 6.6450 6.6931 6.6931 6.7951 6.7951 6.8922 6.8922 7.0849 7.0849 7.5030 7.5030 7.5875 7.5875 7.8440 7.8440 7.9096 7.9096 7.9499 7.9499 8.1929 8.1929 8.2163 8.2163 8.6042 8.6042 8.8628 8.8628 12.1989 12.1989 14.4876 14.4876 14.7849 14.7849 14.8090 14.8090 15.0964 15.0964 15.6336 15.6336 k = 0.2654 0.4597-0.0000 ( 3126 PWs) bands (ev): -4.2696 -4.2696 -4.1204 -4.1204 2.2013 2.2013 2.4185 2.4185 3.5051 3.5051 3.7772 3.7772 4.7093 4.7093 5.1179 5.1179 5.5255 5.5255 5.5559 5.5559 5.8850 5.8850 5.9138 5.9138 6.4754 6.4754 6.6089 6.6089 6.7005 6.7005 6.7251 6.7251 6.7968 6.7968 6.9040 6.9040 7.0856 7.0856 7.5064 7.5064 7.5894 7.5894 7.8420 7.8420 7.9053 7.9053 7.9447 7.9447 8.1906 8.1906 8.2198 8.2198 8.5882 8.5882 8.8799 8.8799 12.2280 12.2280 14.3609 14.3609 14.6761 14.6761 14.7600 14.7600 15.0320 15.0320 15.7148 15.7148 k = 0.2593 0.4491-0.0000 ( 3126 PWs) bands (ev): -4.2918 -4.2918 -4.1278 -4.1278 2.1815 2.1815 2.3854 2.3854 3.5589 3.5589 3.8251 3.8251 4.6967 4.6967 5.1471 5.1471 5.5093 5.5093 5.5427 5.5427 5.8995 5.8995 5.9289 5.9289 6.4651 6.4651 6.6113 6.6113 6.7308 6.7308 6.7536 6.7536 6.8256 6.8256 6.9326 6.9326 7.0853 7.0853 7.5106 7.5106 7.5907 7.5907 7.8397 7.8397 7.9005 7.9005 7.9389 7.9389 8.1892 8.1892 8.2253 8.2253 8.5711 8.5711 8.8967 8.8967 12.2614 12.2614 14.2296 14.2296 14.5495 14.5495 14.7284 14.7284 14.9715 14.9715 15.7997 15.7997 k = 0.2531 0.4384-0.0000 ( 3126 PWs) bands (ev): -4.3155 -4.3155 -4.1367 -4.1367 2.1661 2.1661 2.3565 2.3565 3.6082 3.6082 3.8674 3.8674 4.6843 4.6843 5.1774 5.1774 5.4991 5.4991 5.5364 5.5364 5.9147 5.9147 5.9444 5.9444 6.4551 6.4551 6.6080 6.6080 6.7394 6.7394 6.7590 6.7590 6.8870 6.8870 6.9801 6.9801 7.0842 7.0842 7.5158 7.5158 7.5915 7.5915 7.8369 7.8369 7.8955 7.8955 7.9326 7.9326 8.1890 8.1890 8.2332 8.2332 8.5530 8.5530 8.9129 8.9129 12.2991 12.2991 14.0949 14.0949 14.4206 14.4206 14.7001 14.7001 14.9143 14.9143 15.8818 15.8818 k = 0.2469 0.4277-0.0000 ( 3118 PWs) bands (ev): -4.3405 -4.3405 -4.1471 -4.1471 2.1550 2.1550 2.3318 2.3318 3.6523 3.6523 3.9035 3.9035 4.6721 4.6721 5.2086 5.2086 5.4955 5.4955 5.5374 5.5374 5.9305 5.9305 5.9605 5.9605 6.4455 6.4455 6.6022 6.6022 6.7364 6.7364 6.7562 6.7562 6.9583 6.9583 7.0388 7.0388 7.0843 7.0843 7.5220 7.5220 7.5920 7.5920 7.8338 7.8338 7.8901 7.8901 7.9259 7.9259 8.1905 8.1905 8.2439 8.2439 8.5339 8.5339 8.9282 8.9282 12.3411 12.3411 13.9581 13.9581 14.2904 14.2904 14.6752 14.6752 14.8597 14.8597 15.8256 15.8256 k = 0.2407 0.4170-0.0000 ( 3110 PWs) bands (ev): -4.3669 -4.3669 -4.1588 -4.1588 2.1481 2.1481 2.3115 2.3115 3.6907 3.6907 3.9330 3.9330 4.6600 4.6600 5.2410 5.2410 5.4987 5.4987 5.5459 5.5459 5.9470 5.9470 5.9771 5.9771 6.4363 6.4363 6.5952 6.5952 6.7286 6.7286 6.7491 6.7491 7.0324 7.0324 7.0705 7.0705 7.1185 7.1185 7.5292 7.5292 7.5921 7.5921 7.8302 7.8302 7.8845 7.8845 7.9188 7.9188 8.1938 8.1938 8.2574 8.2574 8.5138 8.5138 8.9423 8.9423 12.3875 12.3875 13.8197 13.8197 14.1596 14.1596 14.6539 14.6539 14.8073 14.8073 15.7605 15.7605 k = 0.2346 0.4063-0.0000 ( 3114 PWs) bands (ev): -4.3945 -4.3945 -4.1719 -4.1719 2.1456 2.1456 2.2956 2.2956 3.7229 3.7229 3.9556 3.9556 4.6480 4.6480 5.2744 5.2744 5.5087 5.5087 5.5616 5.5616 5.9638 5.9638 5.9938 5.9938 6.4275 6.4275 6.5874 6.5874 6.7187 6.7187 6.7397 6.7397 7.0669 7.0669 7.1097 7.1097 7.1890 7.1890 7.5375 7.5375 7.5922 7.5922 7.8261 7.8261 7.8785 7.8785 7.9113 7.9113 8.1993 8.1993 8.2742 8.2742 8.4928 8.4928 8.9548 8.9548 12.4382 12.4382 13.6806 13.6806 14.0287 14.0287 14.6369 14.6369 14.7567 14.7567 15.6972 15.6972 k = 0.2284 0.3956-0.0000 ( 3118 PWs) bands (ev): -4.4232 -4.4232 -4.1865 -4.1865 2.1473 2.1473 2.2840 2.2840 3.7486 3.7486 3.9712 3.9712 4.6361 4.6361 5.3089 5.3089 5.5255 5.5255 5.5842 5.5842 5.9809 5.9809 6.0108 6.0108 6.4193 6.4193 6.5791 6.5791 6.7074 6.7074 6.7291 6.7291 7.0617 7.0617 7.1859 7.1859 7.2634 7.2634 7.5474 7.5474 7.5930 7.5930 7.8217 7.8217 7.8724 7.8724 7.9038 7.9038 8.2074 8.2074 8.2944 8.2944 8.4710 8.4710 8.9656 8.9656 12.4931 12.4931 13.5412 13.5412 13.8980 13.8980 14.6245 14.6245 14.7077 14.7077 15.6356 15.6356 k = 0.2222 0.3849-0.0000 ( 3116 PWs) bands (ev): -4.4531 -4.4531 -4.2023 -4.2023 2.1532 2.1532 2.2768 2.2768 3.7679 3.7679 3.9802 3.9802 4.6242 4.6242 5.3444 5.3444 5.5490 5.5490 5.6132 5.6132 5.9984 5.9984 6.0280 6.0280 6.4117 6.4117 6.5705 6.5705 6.6950 6.6950 6.7185 6.7185 7.0550 7.0550 7.2620 7.2620 7.3369 7.3369 7.5595 7.5595 7.5961 7.5961 7.8171 7.8171 7.8662 7.8662 7.8962 7.8962 8.2183 8.2183 8.3184 8.3184 8.4486 8.4486 8.9743 8.9743 12.5520 12.5520 13.4019 13.4019 13.7679 13.7679 14.6171 14.6171 14.6602 14.6602 15.5757 15.5757 k = 0.2160 0.3742-0.0000 ( 3120 PWs) bands (ev): -4.4838 -4.4838 -4.2194 -4.2194 2.1632 2.1632 2.2739 2.2739 3.7809 3.7809 3.9830 3.9830 4.6124 4.6124 5.3809 5.3809 5.5784 5.5784 5.6477 5.6477 6.0162 6.0162 6.0453 6.0453 6.4045 6.4045 6.5615 6.5615 6.6818 6.6818 6.7082 6.7082 7.0473 7.0473 7.3358 7.3358 7.4052 7.4052 7.5744 7.5744 7.6060 7.6060 7.8121 7.8121 7.8599 7.8599 7.8889 7.8889 8.2324 8.2324 8.3463 8.3463 8.4260 8.4260 8.9806 8.9806 12.6149 12.6149 13.2630 13.2630 13.6387 13.6387 14.6130 14.6130 14.6159 14.6159 15.5172 15.5172 k = 0.2099 0.3635-0.0000 ( 3116 PWs) bands (ev): -4.5155 -4.5155 -4.2377 -4.2377 2.1772 2.1772 2.2753 2.2753 3.7880 3.7880 3.9803 3.9803 4.6006 4.6006 5.4183 5.4183 5.6131 5.6131 5.6867 5.6867 6.0342 6.0342 6.0627 6.0627 6.3979 6.3979 6.5522 6.5522 6.6682 6.6682 6.6985 6.6985 7.0388 7.0388 7.4029 7.4029 7.4611 7.4611 7.5916 7.5916 7.6331 7.6331 7.8076 7.8076 7.8537 7.8537 7.8823 7.8823 8.2495 8.2495 8.3779 8.3779 8.4047 8.4047 8.9843 8.9843 12.6815 12.6815 13.1249 13.1249 13.5106 13.5106 14.5687 14.5687 14.6186 14.6186 15.4599 15.4599 k = 0.2037 0.3528-0.0000 ( 3108 PWs) bands (ev): -4.5478 -4.5478 -4.2570 -4.2570 2.1950 2.1950 2.2808 2.2808 3.7897 3.7897 3.9726 3.9726 4.5888 4.5888 5.4567 5.4567 5.6521 5.6521 5.7290 5.7290 6.0525 6.0525 6.0804 6.0804 6.3920 6.3920 6.5424 6.5424 6.6544 6.6544 6.6894 6.6894 7.0298 7.0298 7.4540 7.4540 7.5000 7.5000 7.6179 7.6179 7.6818 7.6818 7.8045 7.8045 7.8480 7.8480 7.8771 7.8771 8.2683 8.2683 8.3827 8.3827 8.4172 8.4172 8.9852 8.9852 12.7516 12.7516 12.9879 12.9879 13.3840 13.3840 14.5246 14.5246 14.6280 14.6280 15.4038 15.4038 k = 0.1975 0.3421-0.0000 ( 3108 PWs) bands (ev): -4.5808 -4.5808 -4.2774 -4.2774 2.2166 2.2166 2.2903 2.2903 3.7864 3.7864 3.9607 3.9607 4.5770 4.5770 5.4961 5.4961 5.6943 5.6943 5.7734 5.7734 6.0709 6.0709 6.0981 6.0981 6.3866 6.3866 6.5320 6.5320 6.6409 6.6409 6.6809 6.6809 7.0202 7.0202 7.4812 7.4812 7.5252 7.5252 7.6622 7.6622 7.7390 7.7390 7.8082 7.8082 7.8445 7.8445 7.8748 7.8748 8.2832 8.2832 8.3719 8.3719 8.4585 8.4585 8.9831 8.9831 12.8245 12.8245 12.8526 12.8526 13.2591 13.2591 14.4815 14.4815 14.6436 14.6436 15.3487 15.3487 k = 0.1914 0.3314-0.0000 ( 3106 PWs) bands (ev): -4.6142 -4.6142 -4.2987 -4.2987 2.2417 2.2417 2.3038 2.3038 3.7790 3.7790 3.9453 3.9453 4.5651 4.5651 5.5363 5.5363 5.7387 5.7387 5.8189 5.8189 6.0894 6.0894 6.1157 6.1157 6.3820 6.3820 6.5210 6.5210 6.6279 6.6279 6.6733 6.6733 7.0104 7.0104 7.4902 7.4902 7.5413 7.5413 7.7165 7.7165 7.7697 7.7697 7.8237 7.8237 7.8661 7.8661 7.8799 7.8799 8.2829 8.2829 8.3811 8.3811 8.5053 8.5053 8.9778 8.9778 12.7176 12.7176 12.9013 12.9013 13.1364 13.1364 14.4392 14.4392 14.6654 14.6654 15.2945 15.2945 k = 0.1852 0.3208-0.0000 ( 3108 PWs) bands (ev): -4.6481 -4.6481 -4.3208 -4.3208 2.2702 2.2702 2.3209 2.3209 3.7679 3.7679 3.9271 3.9271 4.5532 4.5532 5.5772 5.5772 5.7842 5.7842 5.8642 5.8642 6.1081 6.1081 6.1336 6.1336 6.3780 6.3780 6.5094 6.5094 6.6159 6.6159 6.6663 6.6663 7.0003 7.0003 7.4899 7.4899 7.5524 7.5524 7.7524 7.7524 7.7827 7.7827 7.8224 7.8224 7.9032 7.9032 7.9368 7.9368 8.2667 8.2667 8.4119 8.4119 8.5575 8.5575 8.9693 8.9693 12.5849 12.5849 12.9724 12.9724 13.0237 13.0237 14.3978 14.3978 14.6937 14.6937 15.2411 15.2411 k = 0.1790 0.3101-0.0000 ( 3120 PWs) bands (ev): -4.6821 -4.6821 -4.3436 -4.3436 2.3019 2.3019 2.3417 2.3417 3.7538 3.7538 3.9065 3.9065 4.5413 4.5413 5.6189 5.6189 5.8296 5.8296 5.9084 5.9084 6.1270 6.1270 6.1516 6.1516 6.3746 6.3746 6.4970 6.4970 6.6049 6.6049 6.6600 6.6600 6.9902 6.9902 7.4847 7.4847 7.5610 7.5610 7.7549 7.7549 7.7974 7.7974 7.8180 7.8180 7.9568 7.9568 8.0191 8.0191 8.2435 8.2435 8.4562 8.4562 8.6151 8.6151 8.9575 8.9575 12.4542 12.4542 12.8911 12.8911 13.0682 13.0682 14.3571 14.3571 14.7285 14.7285 15.1883 15.1883 k = 0.1728 0.2994-0.0000 ( 3116 PWs) bands (ev): -4.7163 -4.7163 -4.3670 -4.3670 2.3365 2.3365 2.3659 2.3659 3.7373 3.7373 3.8843 3.8843 4.5293 4.5293 5.6613 5.6613 5.8741 5.8741 5.9506 5.9506 6.1460 6.1460 6.1698 6.1698 6.3722 6.3722 6.4840 6.4840 6.5952 6.5952 6.6545 6.6545 6.9801 6.9801 7.4766 7.4766 7.5682 7.5682 7.7491 7.7491 7.7990 7.7990 7.8157 7.8157 8.0309 8.0309 8.1043 8.1043 8.2181 8.2181 8.5101 8.5101 8.6781 8.6781 8.9425 8.9425 12.3256 12.3256 12.7752 12.7752 13.1521 13.1521 14.3171 14.3171 14.7699 14.7699 15.1362 15.1362 k = 0.1667 0.2887-0.0000 ( 3116 PWs) bands (ev): -4.7505 -4.7505 -4.3908 -4.3908 2.3740 2.3740 2.3932 2.3932 3.7188 3.7188 3.8607 3.8607 4.5173 4.5173 5.7042 5.7042 5.9167 5.9167 5.9900 5.9900 6.1653 6.1653 6.1882 6.1882 6.3704 6.3704 6.4705 6.4705 6.5867 6.5867 6.6498 6.6498 6.9701 6.9701 7.4664 7.4664 7.5745 7.5745 7.7414 7.7414 7.7934 7.7934 7.8150 7.8150 8.1142 8.1142 8.1775 8.1775 8.2050 8.2050 8.5724 8.5724 8.7460 8.7460 8.9249 8.9249 12.1993 12.1993 12.6608 12.6608 13.2392 13.2392 14.2776 14.2776 14.8179 14.8179 15.0845 15.0845 k = 0.1605 0.2780-0.0000 ( 3116 PWs) bands (ev): -4.7845 -4.7845 -4.4150 -4.4150 2.4140 2.4140 2.4236 2.4236 3.6989 3.6989 3.8363 3.8363 4.5053 4.5053 5.7476 5.7476 5.9567 5.9567 6.0260 6.0260 6.1847 6.1847 6.2065 6.2065 6.3694 6.3694 6.4567 6.4567 6.5795 6.5795 6.6459 6.6459 6.9605 6.9605 7.4547 7.4547 7.5802 7.5802 7.7326 7.7326 7.7857 7.7857 7.8146 7.8146 8.1576 8.1576 8.2040 8.2040 8.2831 8.2831 8.6423 8.6423 8.8161 8.8161 8.9072 8.9072 12.0756 12.0756 12.5488 12.5488 13.3284 13.3284 14.2387 14.2387 14.8723 14.8723 15.0331 15.0331 k = 0.1543 0.2673-0.0000 ( 3116 PWs) bands (ev): -4.8183 -4.8183 -4.4394 -4.4394 2.4564 2.4564 2.4568 2.4568 3.6778 3.6778 3.8112 3.8112 4.4933 4.4933 5.7913 5.7913 5.9936 5.9936 6.0583 6.0583 6.2043 6.2043 6.2248 6.2248 6.3692 6.3692 6.4431 6.4431 6.5734 6.5734 6.6425 6.6425 6.9513 6.9513 7.4416 7.4416 7.5855 7.5855 7.7232 7.7232 7.7771 7.7771 7.8144 7.8144 8.1301 8.1301 8.2946 8.2946 8.3710 8.3710 8.7194 8.7194 8.8570 8.8570 8.9210 8.9210 11.9549 11.9549 12.4394 12.4394 13.4195 13.4195 14.2002 14.2002 14.9332 14.9332 14.9820 14.9820 k = 0.1481 0.2566-0.0000 ( 3120 PWs) bands (ev): -4.8517 -4.8517 -4.4640 -4.4640 2.4925 2.4925 2.5009 2.5009 3.6559 3.6559 3.7859 3.7859 4.4813 4.4813 5.8353 5.8353 6.0269 6.0269 6.0866 6.0866 6.2239 6.2239 6.2424 6.2424 6.3699 6.3699 6.4298 6.4298 6.5685 6.5685 6.6399 6.6399 6.9428 6.9428 7.4274 7.4274 7.5903 7.5903 7.7134 7.7134 7.7682 7.7682 7.8145 7.8145 8.1015 8.1015 8.3880 8.3880 8.4598 8.4598 8.8019 8.8019 8.8396 8.8396 8.9960 8.9960 11.8373 11.8373 12.3328 12.3328 13.5120 13.5120 14.1622 14.1622 14.9310 14.9310 15.0005 15.0005 k = 0.1420 0.2459-0.0000 ( 3120 PWs) bands (ev): -4.8846 -4.8846 -4.4885 -4.4885 2.5304 2.5304 2.5473 2.5473 3.6336 3.6336 3.7605 3.7605 4.4694 4.4694 5.8794 5.8794 6.0567 6.0567 6.1111 6.1111 6.2430 6.2430 6.2589 6.2589 6.3714 6.3714 6.4176 6.4176 6.5645 6.5645 6.6381 6.6381 6.9351 6.9351 7.4122 7.4122 7.5949 7.5949 7.7032 7.7032 7.7590 7.7590 7.8151 7.8151 8.0725 8.0725 8.4836 8.4836 8.5494 8.5494 8.8070 8.8070 8.8940 8.8940 9.0841 9.0841 11.7232 11.7232 12.2292 12.2292 13.6057 13.6057 14.1244 14.1244 14.8800 14.8800 15.0739 15.0739 k = 0.1358 0.2352-0.0000 ( 3116 PWs) bands (ev): -4.9169 -4.9169 -4.5129 -4.5129 2.5705 2.5705 2.5953 2.5953 3.6112 3.6112 3.7353 3.7353 4.4576 4.4576 5.9234 5.9234 6.0829 6.0829 6.1322 6.1322 6.2607 6.2607 6.2744 6.2744 6.3735 6.3735 6.4072 6.4072 6.5615 6.5615 6.6368 6.6368 6.9284 6.9284 7.3962 7.3962 7.5993 7.5993 7.6929 7.6929 7.7496 7.7496 7.8161 7.8161 8.0436 8.0436 8.5809 8.5809 8.6392 8.6392 8.7736 8.7736 8.9883 8.9883 9.1779 9.1779 11.6130 11.6130 12.1288 12.1288 13.7001 13.7001 14.0868 14.0868 14.8289 14.8289 15.1533 15.1533 k = 0.1296 0.2245-0.0000 ( 3110 PWs) bands (ev): -4.9485 -4.9485 -4.5370 -4.5370 2.6123 2.6123 2.6446 2.6446 3.5887 3.5887 3.7104 3.7104 4.4459 4.4459 5.9670 5.9670 6.1058 6.1058 6.1502 6.1502 6.2748 6.2748 6.2897 6.2897 6.3755 6.3755 6.4003 6.4003 6.5593 6.5593 6.6361 6.6361 6.9230 6.9230 7.3794 7.3794 7.6034 7.6034 7.6825 7.6825 7.7402 7.7402 7.8176 7.8176 8.0150 8.0150 8.6798 8.6798 8.7182 8.7182 8.7481 8.7481 9.0872 9.0872 9.2761 9.2761 11.5072 11.5072 12.0316 12.0316 13.7951 13.7951 14.0494 14.0494 14.7775 14.7775 15.2386 15.2386 k = 0.1235 0.2138-0.0000 ( 3110 PWs) bands (ev): -4.9793 -4.9793 -4.5608 -4.5608 2.6555 2.6555 2.6950 2.6950 3.5665 3.5665 3.6861 3.6861 4.4344 4.4344 6.0099 6.0099 6.1257 6.1257 6.1653 6.1653 6.2830 6.2830 6.3058 6.3058 6.3761 6.3761 6.3987 6.3987 6.5578 6.5578 6.6359 6.6359 6.9192 6.9192 7.3619 7.3619 7.6073 7.6073 7.6721 7.6721 7.7308 7.7308 7.8193 7.8193 7.9866 7.9866 8.6909 8.6909 8.7811 8.7811 8.8253 8.8253 9.1897 9.1897 9.3779 9.3779 11.4061 11.4061 11.9379 11.9379 13.8899 13.8899 14.0122 14.0122 14.7257 14.7257 15.3293 15.3293 k = 0.1173 0.2031-0.0000 ( 3098 PWs) bands (ev): -5.0092 -5.0092 -4.5841 -4.5841 2.7000 2.7000 2.7462 2.7462 3.5447 3.5447 3.6624 3.6624 4.4231 4.4231 6.0519 6.0519 6.1429 6.1429 6.1780 6.1780 6.2858 6.2858 6.3219 6.3219 6.3761 6.3761 6.4021 6.4021 6.5570 6.5570 6.6362 6.6362 6.9174 6.9174 7.3438 7.3438 7.6109 7.6109 7.6620 7.6620 7.7213 7.7213 7.8213 7.8213 7.9587 7.9587 8.6482 8.6482 8.8830 8.8830 8.9161 8.9161 9.2952 9.2952 9.4826 9.4826 11.3105 11.3105 11.8477 11.8477 13.9697 13.9697 13.9899 13.9899 14.6733 14.6733 15.4253 15.4253 k = 0.1111 0.1925-0.0000 ( 3106 PWs) bands (ev): -5.0381 -5.0381 -4.6069 -4.6069 2.7452 2.7452 2.7977 2.7977 3.5233 3.5233 3.6393 3.6393 4.4120 4.4120 6.0923 6.0923 6.1579 6.1579 6.1882 6.1882 6.2843 6.2843 6.3371 6.3371 6.3773 6.3773 6.4078 6.4078 6.5566 6.5566 6.6368 6.6368 6.9176 6.9176 7.3252 7.3252 7.6139 7.6139 7.6521 7.6521 7.7119 7.7119 7.8235 7.8235 7.9315 7.9315 8.6022 8.6022 8.9862 8.9862 9.0067 9.0067 9.4028 9.4028 9.5897 9.5897 11.2209 11.2209 11.7612 11.7612 13.9360 13.9360 14.0803 14.0803 14.6202 14.6202 15.4912 15.4912 k = 0.1049 0.1818-0.0000 ( 3110 PWs) bands (ev): -5.0660 -5.0660 -4.6290 -4.6290 2.7910 2.7910 2.8494 2.8494 3.5026 3.5026 3.6172 3.6172 4.4012 4.4012 6.1303 6.1303 6.1712 6.1712 6.1963 6.1963 6.2805 6.2805 6.3510 6.3510 6.3802 6.3802 6.4146 6.4146 6.5569 6.5569 6.6377 6.6377 6.9205 6.9205 7.3062 7.3062 7.6159 7.6159 7.6432 7.6432 7.7025 7.7025 7.8256 7.8256 7.9051 7.9051 8.5539 8.5539 9.0897 9.0897 9.0966 9.0966 9.5119 9.5119 9.6984 9.6984 11.1383 11.1383 11.6785 11.6785 13.8984 13.8984 14.1733 14.1733 14.5660 14.5660 15.3198 15.3198 k = 0.0988 0.1711-0.0000 ( 3106 PWs) bands (ev): -5.0926 -5.0926 -4.6503 -4.6503 2.8370 2.8370 2.9009 2.9009 3.4827 3.4827 3.5960 3.5960 4.3907 4.3907 6.1644 6.1644 6.1838 6.1838 6.2020 6.2020 6.2763 6.2763 6.3635 6.3635 6.3849 6.3849 6.4214 6.4214 6.5575 6.5575 6.6389 6.6389 6.9265 6.9265 7.2870 7.2870 7.6157 7.6157 7.6366 7.6366 7.6933 7.6933 7.8276 7.8276 7.8799 7.8799 8.5034 8.5034 9.1815 9.1815 9.1966 9.1966 9.6220 9.6220 9.8081 9.8081 11.0636 11.0636 11.5998 11.5998 13.8603 13.8603 14.2651 14.2651 14.5106 14.5106 15.1520 15.1520 k = 0.0926 0.1604-0.0000 ( 3102 PWs) bands (ev): -5.1180 -5.1180 -4.6708 -4.6708 2.8828 2.8828 2.9520 2.9520 3.4637 3.4637 3.5759 3.5759 4.3806 4.3806 6.1866 6.1866 6.2015 6.2015 6.2058 6.2058 6.2744 6.2744 6.3745 6.3745 6.3910 6.3910 6.4278 6.4278 6.5583 6.5583 6.6402 6.6402 6.9361 6.9361 7.2677 7.2677 7.6115 7.6115 7.6339 7.6339 7.6843 7.6843 7.8283 7.8283 7.8569 7.8569 8.4509 8.4509 9.2645 9.2645 9.3020 9.3020 9.7324 9.7324 9.9180 9.9180 10.9978 10.9978 11.5251 11.5251 13.8220 13.8220 14.3547 14.3547 14.4535 14.4535 14.9898 14.9898 k = 0.0864 0.1497-0.0000 ( 3110 PWs) bands (ev): -5.1421 -5.1421 -4.6903 -4.6903 2.9282 2.9282 3.0021 3.0021 3.4456 3.4456 3.5567 3.5567 4.3709 4.3709 6.1965 6.1965 6.2045 6.2045 6.2249 6.2249 6.2782 6.2782 6.3841 6.3841 6.3981 6.3981 6.4334 6.4334 6.5593 6.5593 6.6417 6.6417 6.9496 6.9496 7.2484 7.2484 7.6043 7.6043 7.6341 7.6341 7.6754 7.6754 7.8215 7.8215 7.8424 7.8424 8.3968 8.3968 9.3419 9.3419 9.4077 9.4077 9.8422 9.8422 10.0273 10.0273 10.9423 10.9423 11.4546 11.4546 13.7833 13.7833 14.3922 14.3922 14.4434 14.4434 14.8347 14.8347 k = 0.0802 0.1390-0.0000 ( 3104 PWs) bands (ev): -5.1649 -5.1649 -4.7089 -4.7089 2.9727 2.9727 3.0510 3.0510 3.4286 3.4286 3.5388 3.5388 4.3617 4.3617 6.1998 6.1998 6.2053 6.2053 6.2382 6.2382 6.2908 6.2908 6.3924 6.3924 6.4062 6.4062 6.4384 6.4384 6.5604 6.5604 6.6431 6.6431 6.9675 6.9675 7.2293 7.2293 7.5961 7.5961 7.6353 7.6353 7.6669 7.6669 7.8033 7.8033 7.8406 7.8406 8.3411 8.3411 9.4124 9.4124 9.5134 9.5134 9.9508 9.9508 10.1352 10.1352 10.8984 10.8984 11.3883 11.3883 13.7444 13.7444 14.3289 14.3289 14.5263 14.5263 14.6896 14.6896 k = 0.0741 0.1283-0.0000 ( 3096 PWs) bands (ev): -5.1861 -5.1861 -4.7263 -4.7263 3.0160 3.0160 3.0983 3.0983 3.4127 3.4127 3.5220 3.5220 4.3530 4.3530 6.1949 6.1949 6.2106 6.2106 6.2445 6.2445 6.3087 6.3087 6.3997 6.3997 6.4151 6.4151 6.4427 6.4427 6.5613 6.5613 6.6447 6.6447 6.9899 6.9899 7.2106 7.2106 7.5878 7.5878 7.6361 7.6361 7.6593 7.6593 7.7832 7.7832 7.8421 7.8421 8.2841 8.2841 9.4744 9.4744 9.6185 9.6185 10.0574 10.0574 10.2406 10.2406 10.8673 10.8673 11.3264 11.3264 13.7054 13.7054 14.2587 14.2587 14.5474 14.5474 14.6154 14.6154 k = 0.0679 0.1176-0.0000 ( 3092 PWs) bands (ev): -5.2059 -5.2059 -4.7426 -4.7426 3.0577 3.0577 3.1436 3.1436 3.3979 3.3979 3.5064 3.5064 4.3448 4.3448 6.1882 6.1882 6.2153 6.2153 6.2478 6.2478 6.3267 6.3267 6.4060 6.4060 6.4248 6.4248 6.4461 6.4461 6.5620 6.5620 6.6463 6.6463 7.0170 7.0170 7.1925 7.1925 7.5797 7.5797 7.6352 7.6352 7.6535 7.6535 7.7641 7.7641 7.8441 7.8441 8.2259 8.2259 9.5263 9.5263 9.7224 9.7224 10.1612 10.1612 10.3425 10.3425 10.8501 10.8501 11.2689 11.2689 13.6665 13.6665 14.1792 14.1792 14.4331 14.4331 14.6878 14.6878 k = 0.0617 0.1069-0.0000 ( 3090 PWs) bands (ev): -5.2242 -5.2242 -4.7577 -4.7577 3.0974 3.0974 3.1865 3.1865 3.3844 3.3844 3.4921 3.4921 4.3372 4.3372 6.1809 6.1809 6.2191 6.2191 6.2500 6.2500 6.3427 6.3427 6.4112 6.4112 6.4351 6.4351 6.4490 6.4490 6.5622 6.5622 6.6479 6.6479 7.0485 7.0485 7.1751 7.1751 7.5720 7.5720 7.6311 7.6311 7.6509 7.6509 7.7464 7.7464 7.8462 7.8462 8.1668 8.1668 9.5674 9.5674 9.8247 9.8247 10.2614 10.2614 10.4397 10.4397 10.8467 10.8467 11.2160 11.2160 13.6279 13.6279 14.0886 14.0886 14.3340 14.3340 14.6785 14.6785 k = 0.0556 0.0962-0.0000 ( 3090 PWs) bands (ev): -5.2408 -5.2408 -4.7716 -4.7716 3.1348 3.1348 3.2265 3.2265 3.3723 3.3723 3.4791 3.4791 4.3302 4.3302 6.1735 6.1735 6.2221 6.2221 6.2515 6.2515 6.3560 6.3560 6.4155 6.4155 6.4456 6.4456 6.4514 6.4514 6.5620 6.5620 6.6495 6.6495 7.0844 7.0844 7.1588 7.1588 7.5649 7.5649 7.6245 7.6245 7.6508 7.6508 7.7304 7.7304 7.8482 7.8482 8.1069 8.1069 9.5975 9.5975 9.9245 9.9245 10.3573 10.3573 10.5308 10.5308 10.8564 10.8564 11.1677 11.1677 13.5900 13.5900 13.9897 13.9897 14.2519 14.2519 14.5598 14.5598 k = 0.0494 0.0855-0.0000 ( 3098 PWs) bands (ev): -5.2558 -5.2558 -4.7841 -4.7841 3.1693 3.1693 3.2630 3.2630 3.3616 3.3616 3.4674 3.4674 4.3239 4.3239 6.1663 6.1663 6.2245 6.2245 6.2526 6.2526 6.3668 6.3668 6.4189 6.4189 6.4521 6.4521 6.4572 6.4572 6.5611 6.5611 6.6511 6.6511 7.1232 7.1232 7.1444 7.1444 7.5584 7.5584 7.6168 7.6168 7.6516 7.6516 7.7161 7.7161 7.8501 7.8501 8.0463 8.0463 9.6176 9.6176 10.0211 10.0211 10.4483 10.4483 10.6144 10.6144 10.8772 10.8772 11.1242 11.1242 13.5533 13.5533 13.8885 13.8885 14.1824 14.1824 14.4474 14.4474 k = 0.0432 0.0748-0.0000 ( 3098 PWs) bands (ev): -5.2691 -5.2691 -4.7952 -4.7952 3.2007 3.2007 3.2953 3.2953 3.3532 3.3532 3.4572 3.4572 4.3182 4.3182 6.1596 6.1596 6.2262 6.2262 6.2535 6.2535 6.3757 6.3757 6.4216 6.4216 6.4536 6.4536 6.4675 6.4675 6.5596 6.5596 6.6528 6.6528 7.1283 7.1283 7.1689 7.1689 7.5527 7.5527 7.6089 7.6089 7.6528 7.6528 7.7038 7.7038 7.8518 7.8518 7.9855 7.9855 9.6290 9.6290 10.1135 10.1135 10.5336 10.5336 10.6890 10.6890 10.9060 10.9060 11.0858 11.0858 13.5183 13.5183 13.7911 13.7911 14.1215 14.1215 14.3439 14.3439 k = 0.0370 0.0642-0.0000 ( 3100 PWs) bands (ev): -5.2807 -5.2807 -4.8049 -4.8049 3.2286 3.2286 3.3199 3.3199 3.3500 3.3500 3.4485 3.4485 4.3132 4.3132 6.1535 6.1535 6.2276 6.2276 6.2540 6.2540 6.3827 6.3827 6.4237 6.4237 6.4545 6.4545 6.4774 6.4774 6.5575 6.5575 6.6545 6.6545 7.1161 7.1161 7.2151 7.2151 7.5478 7.5478 7.6014 7.6014 7.6540 7.6540 7.6935 7.6935 7.8531 7.8531 7.9244 7.9244 9.6339 9.6339 10.2004 10.2004 10.6126 10.6126 10.7528 10.7528 10.9390 10.9390 11.0531 11.0531 13.4853 13.4853 13.7019 13.7019 14.0665 14.0665 14.2510 14.2510 k = 0.0309 0.0535-0.0000 ( 3099 PWs) bands (ev): -5.2906 -5.2906 -4.8132 -4.8132 3.2525 3.2525 3.3279 3.3279 3.3607 3.3607 3.4415 3.4415 4.3090 4.3090 6.1483 6.1483 6.2286 6.2286 6.2544 6.2544 6.3884 6.3884 6.4252 6.4252 6.4550 6.4550 6.4868 6.4868 6.5548 6.5548 6.6560 6.6560 7.1052 7.1052 7.2641 7.2641 7.5438 7.5438 7.5943 7.5943 7.6552 7.6552 7.6848 7.6848 7.8534 7.8534 7.8644 7.8644 9.6343 9.6343 10.2806 10.2806 10.6841 10.6841 10.8041 10.8041 10.9719 10.9719 11.0277 11.0277 13.4546 13.4546 13.6243 13.6243 14.0164 14.0164 14.1704 14.1704 k = 0.0247 0.0428-0.0000 ( 3099 PWs) bands (ev): -5.2987 -5.2987 -4.8201 -4.8201 3.2718 3.2718 3.3263 3.3263 3.3778 3.3778 3.4364 3.4364 4.3055 4.3055 6.1439 6.1439 6.2292 6.2292 6.2546 6.2546 6.3929 6.3929 6.4263 6.4263 6.4553 6.4553 6.4954 6.4954 6.5517 6.5517 6.6575 6.6575 7.0961 7.0961 7.3150 7.3150 7.5409 7.5409 7.5880 7.5880 7.6563 7.6563 7.6777 7.6777 7.8022 7.8022 7.8560 7.8560 9.6320 9.6320 10.3521 10.3521 10.7457 10.7457 10.8423 10.8423 10.9934 10.9934 11.0186 11.0186 13.4261 13.4261 13.5612 13.5612 13.9709 13.9709 14.1041 14.1041 k = 0.0185 0.0321-0.0000 ( 3097 PWs) bands (ev): -5.3051 -5.3051 -4.8254 -4.8254 3.2860 3.2860 3.3248 3.3248 3.3916 3.3916 3.4338 3.4338 4.3027 4.3027 6.1404 6.1404 6.2296 6.2296 6.2547 6.2547 6.3962 6.3962 6.4271 6.4271 6.4555 6.4555 6.5031 6.5031 6.5482 6.5482 6.6586 6.6586 7.0889 7.0889 7.3666 7.3666 7.5395 7.5395 7.5828 7.5828 7.6574 7.6574 7.6722 7.6722 7.7424 7.7424 7.8567 7.8567 9.6287 9.6287 10.4128 10.4128 10.7927 10.7927 10.8703 10.8703 10.9892 10.9892 11.0376 11.0376 13.4000 13.4000 13.5145 13.5145 13.9310 13.9310 14.0532 14.0532 k = 0.0123 0.0214-0.0000 ( 3093 PWs) bands (ev): -5.3096 -5.3096 -4.8292 -4.8292 3.2945 3.2945 3.3252 3.3252 3.3999 3.3999 3.4338 3.4338 4.3007 4.3007 6.1378 6.1378 6.2299 6.2299 6.2548 6.2548 6.3986 6.3986 6.4276 6.4276 6.4555 6.4555 6.5097 6.5097 6.5447 6.5447 6.6596 6.6596 7.0836 7.0836 7.4169 7.4169 7.5410 7.5410 7.5789 7.5789 7.6581 7.6581 7.6680 7.6680 7.6845 7.6845 7.8573 7.8573 9.6255 9.6255 10.4599 10.4599 10.8186 10.8186 10.8968 10.8968 10.9825 10.9825 11.0567 11.0567 13.3776 13.3776 13.4841 13.4841 13.8992 13.8992 14.0178 14.0178 k = 0.0062 0.0107-0.0000 ( 3101 PWs) bands (ev): -5.3123 -5.3123 -4.8315 -4.8315 3.2981 3.2981 3.3268 3.3268 3.4035 3.4035 3.4353 3.4353 4.2996 4.2996 6.1363 6.1363 6.2300 6.2300 6.2548 6.2548 6.4000 6.4000 6.4278 6.4278 6.4555 6.4555 6.5144 6.5144 6.5417 6.5417 6.6601 6.6601 7.0804 7.0804 7.4590 7.4590 7.5497 7.5497 7.5765 7.5765 7.6283 7.6283 7.6605 7.6605 7.6651 7.6651 7.8577 7.8577 9.6233 9.6233 10.4903 10.4903 10.8265 10.8265 10.9231 10.9231 10.9745 10.9745 11.0688 11.0688 13.3623 13.3623 13.4677 13.4677 13.8784 13.8784 13.9971 13.9971 k = 0.0000 0.0000 0.0000 ( 3093 PWs) bands (ev): -5.3132 -5.3132 -4.8323 -4.8323 3.2992 3.2992 3.3277 3.3277 3.4044 3.4044 3.4361 3.4361 4.2992 4.2992 6.1357 6.1357 6.2301 6.2301 6.2548 6.2548 6.4005 6.4005 6.4279 6.4279 6.4555 6.4555 6.5163 6.5163 6.5406 6.5406 6.6605 6.6605 7.0794 7.0794 7.4766 7.4766 7.5693 7.5693 7.5757 7.5757 7.5901 7.5901 7.6611 7.6611 7.6636 7.6636 7.8578 7.8578 9.6225 9.6225 10.5008 10.5008 10.8276 10.8276 10.9371 10.9371 10.9680 10.9680 11.0730 11.0730 13.3568 13.3568 13.4626 13.4626 13.8712 13.8712 13.9903 13.9903 k = 0.0000 0.0000 0.0000 ( 3093 PWs) bands (ev): -5.3132 -5.3132 -4.8323 -4.8323 3.2992 3.2992 3.3277 3.3277 3.4044 3.4044 3.4361 3.4361 4.2992 4.2992 6.1357 6.1357 6.2301 6.2301 6.2548 6.2548 6.4005 6.4005 6.4279 6.4279 6.4555 6.4555 6.5163 6.5163 6.5406 6.5406 6.6605 6.6605 7.0794 7.0794 7.4766 7.4766 7.5693 7.5693 7.5757 7.5757 7.5901 7.5901 7.6611 7.6611 7.6636 7.6636 7.8578 7.8578 9.6225 9.6225 10.5008 10.5008 10.8276 10.8276 10.9371 10.9371 10.9680 10.9680 11.0730 11.0730 13.3568 13.3568 13.4626 13.4626 13.8712 13.8712 13.9903 13.9903 k = 0.0000 0.0000 0.0121 ( 3105 PWs) bands (ev): -5.3127 -5.3127 -4.8329 -4.8329 3.2992 3.2992 3.3277 3.3277 3.4042 3.4042 3.4359 3.4359 4.3009 4.3009 6.1338 6.1338 6.2300 6.2300 6.2547 6.2547 6.4005 6.4005 6.4278 6.4278 6.4556 6.4556 6.5164 6.5164 6.5402 6.5402 6.6601 6.6601 7.0795 7.0795 7.4761 7.4761 7.5653 7.5653 7.5755 7.5755 7.5901 7.5901 7.6634 7.6634 7.6637 7.6637 7.8577 7.8577 9.6259 9.6259 10.5010 10.5010 10.8277 10.8277 10.9370 10.9370 10.9682 10.9682 11.0729 11.0729 13.3571 13.3571 13.4628 13.4628 13.8703 13.8703 13.9894 13.9894 k = 0.0000 0.0000 0.0243 ( 3099 PWs) bands (ev): -5.3113 -5.3113 -4.8346 -4.8346 3.2995 3.2995 3.3280 3.3280 3.4039 3.4039 3.4356 3.4356 4.3061 4.3061 6.1279 6.1279 6.2301 6.2301 6.2546 6.2546 6.4008 6.4008 6.4278 6.4278 6.4558 6.4558 6.5171 6.5171 6.5400 6.5400 6.6598 6.6598 7.0799 7.0799 7.4745 7.4745 7.5551 7.5551 7.5753 7.5753 7.5903 7.5903 7.6631 7.6631 7.6706 7.6706 7.8577 7.8577 9.6361 9.6361 10.5014 10.5014 10.8282 10.8282 10.9368 10.9368 10.9686 10.9686 11.0727 11.0727 13.3578 13.3578 13.4635 13.4635 13.8677 13.8677 13.9866 13.9866 k = 0.0000 0.0000 0.0364 ( 3099 PWs) bands (ev): -5.3090 -5.3090 -4.8374 -4.8374 3.3000 3.3000 3.3286 3.3286 3.4033 3.4033 3.4350 3.4350 4.3148 4.3148 6.1180 6.1180 6.2301 6.2301 6.2543 6.2543 6.4011 6.4011 6.4278 6.4278 6.4561 6.4561 6.5181 6.5181 6.5395 6.5395 6.6593 6.6593 7.0806 7.0806 7.4710 7.4710 7.5414 7.5414 7.5748 7.5748 7.5906 7.5906 7.6627 7.6627 7.6793 7.6793 7.8573 7.8573 9.6527 9.6527 10.5021 10.5021 10.8290 10.8290 10.9365 10.9365 10.9694 10.9694 11.0724 11.0724 13.3590 13.3590 13.4648 13.4648 13.8633 13.8633 13.9822 13.9822 k = 0.0000 0.0000 0.0485 ( 3087 PWs) bands (ev): -5.3057 -5.3057 -4.8413 -4.8413 3.3008 3.3008 3.3294 3.3294 3.4025 3.4025 3.4342 3.4342 4.3269 4.3269 6.1042 6.1042 6.2302 6.2302 6.2540 6.2540 6.4018 6.4018 6.4277 6.4277 6.4567 6.4567 6.5196 6.5196 6.5390 6.5390 6.6586 6.6586 7.0815 7.0815 7.4645 7.4645 7.5277 7.5277 7.5740 7.5740 7.5910 7.5910 7.6618 7.6618 7.6886 7.6886 7.8569 7.8569 9.6753 9.6753 10.5030 10.5030 10.8302 10.8302 10.9361 10.9361 10.9705 10.9705 11.0721 11.0721 13.3608 13.3608 13.4666 13.4666 13.8573 13.8573 13.9760 13.9760 k = 0.0000 0.0000 0.0607 ( 3087 PWs) bands (ev): -5.3016 -5.3016 -4.8463 -4.8463 3.3018 3.3018 3.3304 3.3304 3.4015 3.4015 3.4331 3.4331 4.3424 4.3424 6.0863 6.0863 6.2303 6.2303 6.2536 6.2536 6.4024 6.4024 6.4276 6.4276 6.4573 6.4573 6.5214 6.5214 6.5382 6.5382 6.6576 6.6576 7.0827 7.0827 7.4531 7.4531 7.5167 7.5167 7.5731 7.5731 7.5914 7.5914 7.6610 7.6610 7.6976 7.6976 7.8562 7.8562 9.7035 9.7035 10.5041 10.5041 10.8315 10.8315 10.9355 10.9355 10.9719 10.9719 11.0716 11.0716 13.3630 13.3630 13.4689 13.4689 13.8497 13.8497 13.9681 13.9681 k = 0.0000 0.0000 0.0728 ( 3087 PWs) bands (ev): -5.2965 -5.2965 -4.8524 -4.8524 3.3029 3.3029 3.3316 3.3316 3.4002 3.4002 3.4317 3.4317 4.3612 4.3612 6.0644 6.0644 6.2305 6.2305 6.2531 6.2531 6.4032 6.4032 6.4275 6.4275 6.4580 6.4580 6.5235 6.5235 6.5372 6.5372 6.6564 6.6564 7.0841 7.0841 7.4364 7.4364 7.5097 7.5097 7.5721 7.5721 7.5920 7.5920 7.6599 7.6599 7.7062 7.7062 7.8553 7.8553 9.7364 9.7364 10.5054 10.5054 10.8332 10.8332 10.9348 10.9348 10.9735 10.9735 11.0709 11.0709 13.3658 13.3658 13.4718 13.4718 13.8405 13.8405 13.9586 13.9586 k = 0.0000 0.0000 0.0849 ( 3087 PWs) bands (ev): -5.2905 -5.2905 -4.8595 -4.8595 3.3043 3.3043 3.3330 3.3330 3.3987 3.3987 3.4302 3.4302 4.3834 4.3834 6.0385 6.0385 6.2306 6.2306 6.2525 6.2525 6.4040 6.4040 6.4273 6.4273 6.4589 6.4589 6.5260 6.5260 6.5361 6.5361 6.6550 6.6550 7.0858 7.0858 7.4160 7.4160 7.5060 7.5060 7.5709 7.5709 7.5927 7.5927 7.6587 7.6587 7.7142 7.7142 7.8543 7.8543 9.7734 9.7734 10.5068 10.5068 10.8352 10.8352 10.9340 10.9340 10.9754 10.9754 11.0702 11.0702 13.3692 13.3692 13.4753 13.4753 13.8299 13.8299 13.9477 13.9477 k = 0.0000 0.0000 0.0971 ( 3075 PWs) bands (ev): -5.2837 -5.2837 -4.8676 -4.8676 3.3058 3.3058 3.3345 3.3345 3.3970 3.3970 3.4284 3.4284 4.4087 4.4087 6.0086 6.0086 6.2308 6.2308 6.2519 6.2519 6.4050 6.4050 6.4272 6.4272 6.4601 6.4601 6.5288 6.5288 6.5348 6.5348 6.6533 6.6533 7.0877 7.0877 7.3938 7.3938 7.5045 7.5045 7.5695 7.5695 7.5939 7.5939 7.6573 7.6573 7.7216 7.7216 7.8531 7.8531 9.8138 9.8138 10.5083 10.5083 10.8374 10.8374 10.9330 10.9330 10.9775 10.9775 11.0692 11.0692 13.3733 13.3733 13.4795 13.4795 13.8179 13.8179 13.9353 13.9353 k = 0.0000 0.0000 0.1092 ( 3069 PWs) bands (ev): -5.2760 -5.2760 -4.8766 -4.8766 3.3075 3.3075 3.3363 3.3363 3.3951 3.3951 3.4265 3.4265 4.4373 4.4373 5.9748 5.9748 6.2311 6.2311 6.2512 6.2512 6.4060 6.4060 6.4270 6.4270 6.4613 6.4613 6.5319 6.5319 6.5333 6.5333 6.6514 6.6514 7.0902 7.0902 7.3707 7.3707 7.5040 7.5040 7.5680 7.5680 7.5948 7.5948 7.6558 7.6558 7.7285 7.7285 7.8517 7.8517 9.8568 9.8568 10.5098 10.5098 10.8399 10.8399 10.9318 10.9318 10.9799 10.9799 11.0682 11.0682 13.3779 13.3779 13.4843 13.4843 13.8046 13.8046 13.9217 13.9217 k = 0.0000 0.0000 0.1213 ( 3069 PWs) bands (ev): -5.2675 -5.2675 -4.8865 -4.8865 3.3095 3.3095 3.3383 3.3383 3.3930 3.3930 3.4243 3.4243 4.4689 4.4689 5.9372 5.9372 6.2313 6.2313 6.2504 6.2504 6.4071 6.4071 6.4268 6.4268 6.4627 6.4627 6.5317 6.5317 6.5353 6.5353 6.6493 6.6493 7.0926 7.0926 7.3478 7.3478 7.5042 7.5042 7.5663 7.5663 7.5958 7.5958 7.6541 7.6541 7.7350 7.7350 7.8500 7.8500 9.9017 9.9017 10.5111 10.5111 10.8426 10.8426 10.9305 10.9305 10.9825 10.9825 11.0670 11.0670 13.3833 13.3833 13.4897 13.4897 13.7902 13.7902 13.9069 13.9069 k = 0.0000 0.0000 0.1335 ( 3069 PWs) bands (ev): -5.2582 -5.2582 -4.8973 -4.8973 3.3115 3.3115 3.3404 3.3404 3.3907 3.3907 3.4219 3.4219 4.5034 4.5034 5.8960 5.8960 6.2316 6.2316 6.2496 6.2496 6.4082 6.4082 6.4265 6.4265 6.4643 6.4643 6.5300 6.5300 6.5389 6.5389 6.6470 6.6470 7.0951 7.0951 7.3256 7.3256 7.5049 7.5049 7.5645 7.5645 7.5969 7.5969 7.6522 7.6522 7.7411 7.7411 7.8482 7.8482 9.9477 9.9477 10.5123 10.5123 10.8455 10.8455 10.9290 10.9290 10.9854 10.9854 11.0656 11.0656 13.3894 13.3894 13.4960 13.4960 13.7748 13.7748 13.8910 13.8910 k = 0.0000 0.0000 0.1456 ( 3075 PWs) bands (ev): -5.2482 -5.2482 -4.9088 -4.9088 3.3138 3.3138 3.3427 3.3427 3.3882 3.3882 3.4194 3.4194 4.5408 4.5408 5.8511 5.8511 6.2319 6.2319 6.2488 6.2488 6.4094 6.4094 6.4263 6.4263 6.4660 6.4660 6.5281 6.5281 6.5428 6.5428 6.6444 6.6444 7.0978 7.0978 7.3044 7.3044 7.5058 7.5058 7.5625 7.5625 7.5981 7.5981 7.6503 7.6503 7.7469 7.7469 7.8462 7.8462 9.9943 9.9943 10.5131 10.5131 10.8486 10.8486 10.9273 10.9273 10.9884 10.9884 11.0640 11.0640 13.3962 13.3962 13.5030 13.5030 13.7586 13.7586 13.8743 13.8743 k = 0.0000 0.0000 0.1577 ( 3069 PWs) bands (ev): -5.2375 -5.2375 -4.9210 -4.9210 3.3162 3.3162 3.3452 3.3452 3.3856 3.3856 3.4167 3.4167 4.5810 4.5810 5.8035 5.8035 6.2323 6.2323 6.2479 6.2479 6.4105 6.4105 6.4260 6.4260 6.4679 6.4679 6.5260 6.5260 6.5470 6.5470 6.6416 6.6416 7.1008 7.1008 7.2847 7.2847 7.5073 7.5073 7.5604 7.5604 7.5995 7.5995 7.6482 7.6482 7.7526 7.7526 7.8440 7.8440 10.0408 10.0408 10.5134 10.5134 10.8519 10.8519 10.9255 10.9255 10.9916 10.9916 11.0623 11.0623 13.4038 13.4038 13.5108 13.5108 13.7416 13.7416 13.8568 13.8568 k = 0.0000 0.0000 0.1698 ( 3069 PWs) bands (ev): -5.2260 -5.2260 -4.9340 -4.9340 3.3188 3.3188 3.3479 3.3479 3.3829 3.3829 3.4139 3.4139 4.6238 4.6238 5.7529 5.7529 6.2327 6.2327 6.2471 6.2471 6.4117 6.4117 6.4257 6.4257 6.4699 6.4699 6.5239 6.5239 6.5513 6.5513 6.6386 6.6386 7.1040 7.1040 7.2662 7.2662 7.5089 7.5089 7.5581 7.5581 7.6010 7.6010 7.6460 7.6460 7.7580 7.7580 7.8416 7.8416 10.0867 10.0867 10.5130 10.5130 10.8554 10.8554 10.9234 10.9234 10.9949 10.9949 11.0604 11.0604 13.4122 13.4122 13.5194 13.5194 13.7239 13.7239 13.8386 13.8386 k = 0.0000 0.0000 0.1820 ( 3081 PWs) bands (ev): -5.2139 -5.2139 -4.9475 -4.9475 3.3215 3.3215 3.3506 3.3506 3.3799 3.3799 3.4108 3.4108 4.6691 4.6691 5.6997 5.6997 6.2331 6.2331 6.2461 6.2461 6.4126 6.4126 6.4253 6.4253 6.4720 6.4720 6.5215 6.5215 6.5554 6.5554 6.6353 6.6353 7.1073 7.1073 7.2492 7.2492 7.5105 7.5105 7.5558 7.5558 7.6026 7.6026 7.6437 7.6437 7.7633 7.7633 7.8390 7.8390 10.1313 10.1313 10.5118 10.5118 10.8590 10.8590 10.9212 10.9212 10.9984 10.9984 11.0583 11.0583 13.4214 13.4214 13.5288 13.5288 13.7058 13.7058 13.8200 13.8200 k = 0.0000 0.0000 0.1941 ( 3093 PWs) bands (ev): -5.2013 -5.2013 -4.9615 -4.9615 3.3243 3.3243 3.3535 3.3535 3.3769 3.3769 3.4077 3.4077 4.7168 4.7168 5.6444 5.6444 6.2335 6.2335 6.2449 6.2449 6.4136 6.4136 6.4249 6.4249 6.4741 6.4741 6.5191 6.5191 6.5600 6.5600 6.6319 6.6319 7.1109 7.1109 7.2335 7.2335 7.5123 7.5123 7.5533 7.5533 7.6040 7.6040 7.6413 7.6413 7.7684 7.7684 7.8361 7.8361 10.1744 10.1744 10.5096 10.5096 10.8627 10.8627 10.9188 10.9188 11.0020 11.0020 11.0560 11.0560 13.4315 13.4315 13.5391 13.5391 13.6873 13.6873 13.8011 13.8011 k = 0.0000 0.0000 0.2062 ( 3075 PWs) bands (ev): -5.1880 -5.1880 -4.9760 -4.9760 3.3274 3.3274 3.3567 3.3567 3.3738 3.3738 3.4046 3.4046 4.7667 4.7667 5.5872 5.5872 6.2340 6.2340 6.2440 6.2440 6.4148 6.4148 6.4246 6.4246 6.4767 6.4767 6.5168 6.5168 6.5649 6.5649 6.6285 6.6285 7.1148 7.1148 7.2194 7.2194 7.5144 7.5144 7.5509 7.5509 7.6059 7.6059 7.6390 7.6390 7.7735 7.7735 7.8331 7.8331 10.2155 10.2155 10.5061 10.5061 10.8665 10.8665 10.9162 10.9162 11.0057 11.0057 11.0536 11.0536 13.4424 13.4424 13.5503 13.5503 13.6686 13.6686 13.7819 13.7819 k = 0.0000 0.0000 0.2184 ( 3082 PWs) bands (ev): -5.1743 -5.1743 -4.9908 -4.9908 3.3304 3.3304 3.3598 3.3598 3.3706 3.3706 3.4013 3.4013 4.8186 4.8186 5.5284 5.5284 6.2344 6.2344 6.2432 6.2432 6.4158 6.4158 6.4240 6.4240 6.4793 6.4793 6.5141 6.5141 6.5697 6.5697 6.6247 6.6247 7.1188 7.1188 7.2064 7.2064 7.5166 7.5166 7.5481 7.5481 7.6079 7.6079 7.6364 7.6364 7.7785 7.7785 7.8298 7.8298 10.2543 10.2543 10.5011 10.5011 10.8704 10.8704 10.9134 10.9134 11.0095 11.0095 11.0509 11.0509 13.4542 13.4542 13.5623 13.5623 13.6499 13.6499 13.7626 13.7626 k = 0.0000 0.0000 0.2305 ( 3082 PWs) bands (ev): -5.1601 -5.1601 -5.0060 -5.0060 3.3336 3.3336 3.3631 3.3631 3.3674 3.3674 3.3979 3.3979 4.8724 4.8724 5.4685 5.4685 6.2350 6.2350 6.2423 6.2423 6.4167 6.4167 6.4236 6.4236 6.4821 6.4821 6.5114 6.5114 6.5745 6.5745 6.6207 6.6207 7.1232 7.1232 7.1948 7.1948 7.5190 7.5190 7.5455 7.5455 7.6099 7.6099 7.6339 7.6339 7.7833 7.7833 7.8263 7.8263 10.2904 10.2904 10.4944 10.4944 10.8743 10.8743 10.9105 10.9105 11.0132 11.0132 11.0481 11.0481 13.4668 13.4668 13.5752 13.5752 13.6311 13.6311 13.7434 13.7434 k = 0.0000 0.0000 0.2426 ( 3094 PWs) bands (ev): -5.1455 -5.1455 -5.0215 -5.0215 3.3368 3.3368 3.3640 3.3640 3.3664 3.3664 3.3944 3.3944 4.9279 4.9279 5.4078 5.4078 6.2355 6.2355 6.2414 6.2414 6.4176 6.4176 6.4230 6.4230 6.4849 6.4849 6.5084 6.5084 6.5794 6.5794 6.6164 6.6164 7.1279 7.1279 7.1841 7.1841 7.5214 7.5214 7.5427 7.5427 7.6120 7.6120 7.6313 7.6313 7.7880 7.7880 7.8226 7.8226 10.3238 10.3238 10.4858 10.4858 10.8782 10.8782 10.9074 10.9074 11.0170 11.0170 11.0452 11.0452 13.4802 13.4802 13.5890 13.5890 13.6125 13.6125 13.7244 13.7244 k = 0.0000 0.0000 0.2548 ( 3106 PWs) bands (ev): -5.1305 -5.1305 -5.0371 -5.0371 3.3401 3.3401 3.3606 3.3606 3.3698 3.3698 3.3909 3.3909 4.9850 4.9850 5.3466 5.3466 6.2362 6.2362 6.2406 6.2406 6.4184 6.4184 6.4225 6.4225 6.4877 6.4877 6.5055 6.5055 6.5841 6.5841 6.6120 6.6120 7.1329 7.1329 7.1745 7.1745 7.5238 7.5238 7.5399 7.5399 7.6142 7.6142 7.6287 7.6287 7.7925 7.7925 7.8185 7.8185 10.3542 10.3542 10.4750 10.4750 10.8821 10.8821 10.9041 10.9041 11.0208 11.0208 11.0420 11.0420 13.4945 13.4945 13.5942 13.5942 13.6036 13.6036 13.7056 13.7056 k = 0.0000 0.0000 0.2669 ( 3106 PWs) bands (ev): -5.1153 -5.1153 -5.0528 -5.0528 3.3435 3.3435 3.3572 3.3572 3.3732 3.3732 3.3874 3.3874 5.0433 5.0433 5.2852 5.2852 6.2368 6.2368 6.2398 6.2398 6.4192 6.4192 6.4219 6.4219 6.4907 6.4907 6.5025 6.5025 6.5890 6.5890 6.6076 6.6076 7.1384 7.1384 7.1659 7.1659 7.5264 7.5264 7.5372 7.5372 7.6165 7.6165 7.6262 7.6262 7.7972 7.7972 7.8145 7.8145 10.3817 10.3817 10.4618 10.4618 10.8860 10.8860 10.9007 10.9007 11.0245 11.0245 11.0388 11.0388 13.5095 13.5095 13.5762 13.5762 13.6189 13.6189 13.6872 13.6872 k = 0.0000 0.0000 0.2790 ( 3118 PWs) bands (ev): -5.0999 -5.0999 -5.0685 -5.0685 3.3468 3.3468 3.3537 3.3537 3.3767 3.3767 3.3838 3.3838 5.1028 5.1028 5.2239 5.2239 6.2375 6.2375 6.2390 6.2390 6.4199 6.4199 6.4212 6.4212 6.4935 6.4935 6.4995 6.4995 6.5935 6.5935 6.6029 6.6029 7.1443 7.1443 7.1580 7.1580 7.5290 7.5290 7.5344 7.5344 7.6188 7.6188 7.6237 7.6237 7.8016 7.8016 7.8103 7.8103 10.4061 10.4061 10.4460 10.4460 10.8898 10.8898 10.8972 10.8972 11.0282 11.0282 11.0353 11.0353 13.5252 13.5252 13.5587 13.5587 13.6350 13.6350 13.6692 13.6692 k = 0.0000 0.0000 0.2912 ( 3112 PWs) bands (ev): -5.0842 -5.0842 -5.0842 -5.0842 3.3503 3.3503 3.3503 3.3503 3.3803 3.3803 3.3803 3.3803 5.1631 5.1631 5.1631 5.1631 6.2382 6.2382 6.2382 6.2382 6.4206 6.4206 6.4206 6.4206 6.4965 6.4965 6.4965 6.4965 6.5983 6.5983 6.5983 6.5983 7.1509 7.1509 7.1509 7.1509 7.5317 7.5317 7.5317 7.5317 7.6212 7.6212 7.6212 7.6212 7.8062 7.8062 7.8062 7.8062 10.4275 10.4275 10.4275 10.4275 10.8935 10.8935 10.8935 10.8935 11.0318 11.0318 11.0318 11.0318 13.5416 13.5416 13.5416 13.5416 13.6518 13.6518 13.6518 13.6518 k = 0.0000 0.0000 0.2912 ( 3112 PWs) bands (ev): -5.0842 -5.0842 -5.0842 -5.0842 3.3503 3.3503 3.3503 3.3503 3.3803 3.3803 3.3803 3.3803 5.1631 5.1631 5.1631 5.1631 6.2382 6.2382 6.2382 6.2382 6.4206 6.4206 6.4206 6.4206 6.4965 6.4965 6.4965 6.4965 6.5983 6.5983 6.5983 6.5983 7.1509 7.1509 7.1509 7.1509 7.5317 7.5317 7.5317 7.5317 7.6212 7.6212 7.6212 7.6212 7.8062 7.8062 7.8062 7.8062 10.4275 10.4275 10.4275 10.4275 10.8935 10.8935 10.8935 10.8935 11.0318 11.0318 11.0318 11.0318 13.5416 13.5416 13.5416 13.5416 13.6518 13.6518 13.6518 13.6518 k = 0.0106 0.0061 0.2912 ( 3112 PWs) bands (ev): -5.0834 -5.0834 -5.0834 -5.0834 3.3493 3.3493 3.3493 3.3493 3.3794 3.3794 3.3794 3.3794 5.1632 5.1632 5.1632 5.1632 6.2382 6.2382 6.2382 6.2382 6.4204 6.4204 6.4204 6.4204 6.4963 6.4963 6.4963 6.4963 6.5979 6.5979 6.5979 6.5979 7.1505 7.1505 7.1505 7.1505 7.5330 7.5330 7.5330 7.5330 7.6227 7.6227 7.6227 7.6227 7.8064 7.8064 7.8064 7.8064 10.4219 10.4219 10.4219 10.4219 10.8910 10.8910 10.8910 10.8910 11.0279 11.0279 11.0279 11.0279 13.5472 13.5472 13.5472 13.5472 13.6573 13.6573 13.6573 13.6573 k = 0.0213 0.0123 0.2912 ( 3112 PWs) bands (ev): -5.0809 -5.0809 -5.0809 -5.0809 3.3454 3.3454 3.3454 3.3454 3.3778 3.3778 3.3778 3.3778 5.1636 5.1636 5.1636 5.1636 6.2380 6.2380 6.2380 6.2380 6.4198 6.4198 6.4198 6.4198 6.4958 6.4958 6.4958 6.4958 6.5969 6.5969 6.5969 6.5969 7.1496 7.1496 7.1496 7.1496 7.5368 7.5368 7.5368 7.5368 7.6272 7.6272 7.6272 7.6272 7.8071 7.8071 7.8071 7.8071 10.4051 10.4051 10.4051 10.4051 10.8823 10.8823 10.8823 10.8823 11.0180 11.0180 11.0180 11.0180 13.5623 13.5623 13.5623 13.5623 13.6750 13.6750 13.6750 13.6750 k = 0.0319 0.0184 0.2912 ( 3104 PWs) bands (ev): -5.0767 -5.0767 -5.0767 -5.0767 3.3365 3.3365 3.3365 3.3365 3.3777 3.3777 3.3777 3.3777 5.1642 5.1642 5.1642 5.1642 6.2378 6.2378 6.2378 6.2378 6.4188 6.4188 6.4188 6.4188 6.4951 6.4951 6.4951 6.4951 6.5953 6.5953 6.5953 6.5953 7.1482 7.1482 7.1482 7.1482 7.5426 7.5426 7.5426 7.5426 7.6349 7.6349 7.6349 7.6349 7.8084 7.8084 7.8084 7.8084 10.3769 10.3769 10.3769 10.3769 10.8632 10.8632 10.8632 10.8632 11.0075 11.0075 11.0075 11.0075 13.5830 13.5830 13.5830 13.5830 13.7076 13.7076 13.7076 13.7076 k = 0.0426 0.0246 0.2912 ( 3102 PWs) bands (ev): -5.0709 -5.0709 -5.0709 -5.0709 3.3216 3.3216 3.3216 3.3216 3.3802 3.3802 3.3802 3.3802 5.1651 5.1651 5.1651 5.1651 6.2374 6.2374 6.2374 6.2374 6.4173 6.4173 6.4173 6.4173 6.4940 6.4940 6.4940 6.4940 6.5931 6.5931 6.5931 6.5931 7.1467 7.1467 7.1467 7.1467 7.5496 7.5496 7.5496 7.5496 7.6457 7.6457 7.6457 7.6457 7.8105 7.8105 7.8105 7.8105 10.3372 10.3372 10.3372 10.3372 10.8294 10.8294 10.8294 10.8294 11.0028 11.0028 11.0028 11.0028 13.6053 13.6053 13.6053 13.6053 13.7574 13.7574 13.7574 13.7574 k = 0.0532 0.0307 0.2912 ( 3106 PWs) bands (ev): -5.0634 -5.0634 -5.0634 -5.0634 3.3011 3.3011 3.3011 3.3011 3.3849 3.3849 3.3849 3.3849 5.1661 5.1661 5.1661 5.1661 6.2368 6.2368 6.2368 6.2368 6.4153 6.4153 6.4153 6.4153 6.4925 6.4925 6.4925 6.4925 6.5902 6.5902 6.5902 6.5902 7.1453 7.1453 7.1453 7.1453 7.5572 7.5572 7.5572 7.5572 7.6595 7.6595 7.6595 7.6595 7.8140 7.8140 7.8140 7.8140 10.2864 10.2864 10.2864 10.2864 10.7798 10.7798 10.7798 10.7798 11.0070 11.0070 11.0070 11.0070 13.6272 13.6272 13.6272 13.6272 13.8241 13.8241 13.8241 13.8241 k = 0.0638 0.0369 0.2912 ( 3102 PWs) bands (ev): -5.0543 -5.0543 -5.0543 -5.0543 3.2758 3.2758 3.2758 3.2758 3.3916 3.3916 3.3916 3.3916 5.1673 5.1673 5.1673 5.1673 6.2359 6.2359 6.2359 6.2359 6.4128 6.4128 6.4128 6.4128 6.4908 6.4908 6.4908 6.4908 6.5869 6.5869 6.5869 6.5869 7.1443 7.1443 7.1443 7.1443 7.5649 7.5649 7.5649 7.5649 7.6755 7.6755 7.6755 7.6755 7.8196 7.8196 7.8196 7.8196 10.2251 10.2251 10.2251 10.2251 10.7169 10.7169 10.7169 10.7169 11.0195 11.0195 11.0195 11.0195 13.6487 13.6487 13.6487 13.6487 13.9057 13.9057 13.9057 13.9057 k = 0.0745 0.0430 0.2912 ( 3114 PWs) bands (ev): -5.0436 -5.0436 -5.0436 -5.0436 3.2462 3.2462 3.2462 3.2462 3.3999 3.3999 3.3999 3.3999 5.1685 5.1685 5.1685 5.1685 6.2344 6.2344 6.2344 6.2344 6.4095 6.4095 6.4095 6.4095 6.4887 6.4887 6.4887 6.4887 6.5833 6.5833 6.5833 6.5833 7.1438 7.1438 7.1438 7.1438 7.5726 7.5726 7.5726 7.5726 7.6921 7.6921 7.6921 7.6921 7.8284 7.8284 7.8284 7.8284 10.1543 10.1543 10.1543 10.1543 10.6437 10.6437 10.6437 10.6437 11.0389 11.0389 11.0389 11.0389 13.6699 13.6699 13.6699 13.6699 13.9997 13.9997 13.9997 13.9997 k = 0.0851 0.0491 0.2912 ( 3098 PWs) bands (ev): -5.0314 -5.0314 -5.0314 -5.0314 3.2128 3.2128 3.2128 3.2128 3.4097 3.4097 3.4097 3.4097 5.1698 5.1698 5.1698 5.1698 6.2327 6.2327 6.2327 6.2327 6.4058 6.4058 6.4058 6.4058 6.4865 6.4865 6.4865 6.4865 6.5797 6.5797 6.5797 6.5797 7.1443 7.1443 7.1443 7.1443 7.5803 7.5803 7.5803 7.5803 7.7077 7.7077 7.7077 7.7077 7.8421 7.8421 7.8421 7.8421 10.0750 10.0750 10.0750 10.0750 10.5625 10.5625 10.5625 10.5625 11.0641 11.0641 11.0641 11.0641 13.6906 13.6906 13.6906 13.6906 14.1041 14.1041 14.1041 14.1041 k = 0.0957 0.0553 0.2912 ( 3094 PWs) bands (ev): -5.0176 -5.0176 -5.0176 -5.0176 3.1760 3.1760 3.1760 3.1760 3.4208 3.4208 3.4208 3.4208 5.1710 5.1710 5.1710 5.1710 6.2304 6.2304 6.2304 6.2304 6.4012 6.4012 6.4012 6.4012 6.4839 6.4839 6.4839 6.4839 6.5759 6.5759 6.5759 6.5759 7.1456 7.1456 7.1456 7.1456 7.5879 7.5879 7.5879 7.5879 7.7203 7.7203 7.7203 7.7203 7.8617 7.8617 7.8617 7.8617 9.9886 9.9886 9.9886 9.9886 10.4752 10.4752 10.4752 10.4752 11.0940 11.0940 11.0940 11.0940 13.7104 13.7104 13.7104 13.7104 14.2174 14.2174 14.2174 14.2174 k = 0.1064 0.0614 0.2912 ( 3090 PWs) bands (ev): -5.0024 -5.0024 -5.0024 -5.0024 3.1361 3.1361 3.1361 3.1361 3.4333 3.4333 3.4333 3.4333 5.1722 5.1722 5.1722 5.1722 6.2273 6.2273 6.2273 6.2273 6.3960 6.3960 6.3960 6.3960 6.4810 6.4810 6.4810 6.4810 6.5722 6.5722 6.5722 6.5722 7.1479 7.1479 7.1479 7.1479 7.5956 7.5956 7.5956 7.5956 7.7293 7.7293 7.7293 7.7293 7.8875 7.8875 7.8875 7.8875 9.8963 9.8963 9.8963 9.8963 10.3830 10.3830 10.3830 10.3830 11.1281 11.1281 11.1281 11.1281 13.7290 13.7290 13.7290 13.7290 14.3382 14.3382 14.3382 14.3382 k = 0.1170 0.0676 0.2912 ( 3090 PWs) bands (ev): -4.9857 -4.9857 -4.9857 -4.9857 3.0935 3.0935 3.0935 3.0935 3.4470 3.4470 3.4470 3.4470 5.1732 5.1732 5.1732 5.1732 6.2234 6.2234 6.2234 6.2234 6.3900 6.3900 6.3900 6.3900 6.4779 6.4779 6.4779 6.4779 6.5688 6.5688 6.5688 6.5688 7.1512 7.1512 7.1512 7.1512 7.6033 7.6033 7.6033 7.6033 7.7351 7.7351 7.7351 7.7351 7.9187 7.9187 7.9187 7.9187 9.7993 9.7993 9.7993 9.7993 10.2872 10.2872 10.2872 10.2872 11.1657 11.1657 11.1657 11.1657 13.7458 13.7458 13.7458 13.7458 14.4654 14.4654 14.4654 14.4654 k = 0.1277 0.0737 0.2912 ( 3090 PWs) bands (ev): -4.9676 -4.9676 -4.9676 -4.9676 3.0487 3.0487 3.0487 3.0487 3.4619 3.4619 3.4619 3.4619 5.1740 5.1740 5.1740 5.1740 6.2186 6.2186 6.2186 6.2186 6.3833 6.3833 6.3833 6.3833 6.4744 6.4744 6.4744 6.4744 6.5657 6.5657 6.5657 6.5657 7.1555 7.1555 7.1555 7.1555 7.6111 7.6111 7.6111 7.6111 7.7383 7.7383 7.7383 7.7383 7.9543 7.9543 7.9543 7.9543 9.6987 9.6987 9.6987 9.6987 10.1886 10.1886 10.1886 10.1886 11.2060 11.2060 11.2060 11.2060 13.7603 13.7603 13.7603 13.7603 14.5979 14.5979 14.5979 14.5979 k = 0.1383 0.0798 0.2912 ( 3088 PWs) bands (ev): -4.9482 -4.9482 -4.9482 -4.9482 3.0018 3.0018 3.0018 3.0018 3.4781 3.4781 3.4781 3.4781 5.1745 5.1745 5.1745 5.1745 6.2126 6.2126 6.2126 6.2126 6.3760 6.3760 6.3760 6.3760 6.4709 6.4709 6.4709 6.4709 6.5632 6.5632 6.5632 6.5632 7.1607 7.1607 7.1607 7.1607 7.6189 7.6189 7.6189 7.6189 7.7396 7.7396 7.7396 7.7396 7.9932 7.9932 7.9932 7.9932 9.5958 9.5958 9.5958 9.5958 10.0880 10.0880 10.0880 10.0880 11.2486 11.2486 11.2486 11.2486 13.7719 13.7719 13.7719 13.7719 14.7343 14.7343 14.7343 14.7343 k = 0.1489 0.0860 0.2912 ( 3092 PWs) bands (ev): -4.9275 -4.9275 -4.9275 -4.9275 2.9534 2.9534 2.9534 2.9534 3.4953 3.4953 3.4953 3.4953 5.1747 5.1747 5.1747 5.1747 6.2052 6.2052 6.2052 6.2052 6.3681 6.3681 6.3681 6.3681 6.4671 6.4671 6.4671 6.4671 6.5615 6.5615 6.5615 6.5615 7.1667 7.1667 7.1667 7.1667 7.6268 7.6268 7.6268 7.6268 7.7398 7.7398 7.7398 7.7398 8.0344 8.0344 8.0344 8.0344 9.4914 9.4914 9.4914 9.4914 9.9858 9.9858 9.9858 9.9858 11.2928 11.2928 11.2928 11.2928 13.7801 13.7801 13.7801 13.7801 14.8677 14.8677 14.8677 14.8677 k = 0.1596 0.0921 0.2912 ( 3096 PWs) bands (ev): -4.9056 -4.9056 -4.9056 -4.9056 2.9037 2.9037 2.9037 2.9037 3.5136 3.5136 3.5136 3.5136 5.1744 5.1744 5.1744 5.1744 6.1962 6.1962 6.1962 6.1962 6.3596 6.3596 6.3596 6.3596 6.4634 6.4634 6.4634 6.4634 6.5606 6.5606 6.5606 6.5606 7.1735 7.1735 7.1735 7.1735 7.6346 7.6346 7.6346 7.6346 7.7391 7.7391 7.7391 7.7391 8.0772 8.0772 8.0772 8.0772 9.3866 9.3866 9.3866 9.3866 9.8828 9.8828 9.8828 9.8828 11.3380 11.3380 11.3380 11.3380 13.7844 13.7844 13.7844 13.7844 14.9316 14.9316 14.9316 14.9316 k = 0.1702 0.0983 0.2912 ( 3098 PWs) bands (ev): -4.8826 -4.8826 -4.8826 -4.8826 2.8530 2.8530 2.8530 2.8530 3.5329 3.5329 3.5329 3.5329 5.1738 5.1738 5.1738 5.1738 6.1854 6.1854 6.1854 6.1854 6.3508 6.3508 6.3508 6.3508 6.4597 6.4597 6.4597 6.4597 6.5607 6.5607 6.5607 6.5607 7.1810 7.1810 7.1810 7.1810 7.6424 7.6424 7.6424 7.6424 7.7379 7.7379 7.7379 7.7379 8.1213 8.1213 8.1213 8.1213 9.2822 9.2822 9.2822 9.2822 9.7791 9.7791 9.7791 9.7791 11.3837 11.3837 11.3837 11.3837 13.7844 13.7844 13.7844 13.7844 14.9500 14.9500 14.9500 14.9500 k = 0.1809 0.1044 0.2912 ( 3094 PWs) bands (ev): -4.8585 -4.8585 -4.8585 -4.8585 2.8017 2.8017 2.8017 2.8017 3.5532 3.5532 3.5532 3.5532 5.1726 5.1726 5.1726 5.1726 6.1724 6.1724 6.1724 6.1724 6.3417 6.3417 6.3417 6.3417 6.4563 6.4563 6.4563 6.4563 6.5620 6.5620 6.5620 6.5620 7.1890 7.1890 7.1890 7.1890 7.6499 7.6499 7.6499 7.6499 7.7365 7.7365 7.7365 7.7365 8.1660 8.1660 8.1660 8.1660 9.1791 9.1791 9.1791 9.1791 9.6752 9.6752 9.6752 9.6752 11.4293 11.4293 11.4293 11.4293 13.7799 13.7799 13.7799 13.7799 14.9703 14.9703 14.9703 14.9703 k = 0.1915 0.1106 0.2912 ( 3098 PWs) bands (ev): -4.8335 -4.8335 -4.8335 -4.8335 2.7500 2.7500 2.7500 2.7500 3.5744 3.5744 3.5744 3.5744 5.1710 5.1710 5.1710 5.1710 6.1568 6.1568 6.1568 6.1568 6.3325 6.3325 6.3325 6.3325 6.4531 6.4531 6.4531 6.4531 6.5644 6.5644 6.5644 6.5644 7.1975 7.1975 7.1975 7.1975 7.6570 7.6570 7.6570 7.6570 7.7351 7.7351 7.7351 7.7351 8.2109 8.2109 8.2109 8.2109 9.0782 9.0782 9.0782 9.0782 9.5715 9.5715 9.5715 9.5715 11.4742 11.4742 11.4742 11.4742 13.7706 13.7706 13.7706 13.7706 14.9963 14.9963 14.9963 14.9963 k = 0.2021 0.1167 0.2912 ( 3102 PWs) bands (ev): -4.8076 -4.8076 -4.8076 -4.8076 2.6981 2.6981 2.6981 2.6981 3.5964 3.5964 3.5964 3.5964 5.1688 5.1688 5.1688 5.1688 6.1385 6.1385 6.1385 6.1385 6.3232 6.3232 6.3232 6.3232 6.4502 6.4502 6.4502 6.4502 6.5682 6.5682 6.5682 6.5682 7.2065 7.2065 7.2065 7.2065 7.6634 7.6634 7.6634 7.6634 7.7339 7.7339 7.7339 7.7339 8.2555 8.2555 8.2555 8.2555 8.9804 8.9804 8.9804 8.9804 9.4681 9.4681 9.4681 9.4681 11.5180 11.5180 11.5180 11.5180 13.7565 13.7565 13.7565 13.7565 15.0291 15.0291 15.0291 15.0291 k = 0.2128 0.1228 0.2912 ( 3102 PWs) bands (ev): -4.7808 -4.7808 -4.7808 -4.7808 2.6464 2.6464 2.6464 2.6464 3.6193 3.6193 3.6193 3.6193 5.1661 5.1661 5.1661 5.1661 6.1173 6.1173 6.1173 6.1173 6.3141 6.3141 6.3141 6.3141 6.4479 6.4479 6.4479 6.4479 6.5734 6.5734 6.5734 6.5734 7.2157 7.2157 7.2157 7.2157 7.6689 7.6689 7.6689 7.6689 7.7333 7.7333 7.7333 7.7333 8.2990 8.2990 8.2990 8.2990 8.8866 8.8866 8.8866 8.8866 9.3654 9.3654 9.3654 9.3654 11.5601 11.5601 11.5601 11.5601 13.7379 13.7379 13.7379 13.7379 15.0691 15.0691 15.0691 15.0691 k = 0.2234 0.1290 0.2912 ( 3110 PWs) bands (ev): -4.7534 -4.7534 -4.7534 -4.7534 2.5950 2.5950 2.5950 2.5950 3.6427 3.6427 3.6427 3.6427 5.1628 5.1628 5.1628 5.1628 6.0929 6.0929 6.0929 6.0929 6.3051 6.3051 6.3051 6.3051 6.4462 6.4462 6.4462 6.4462 6.5800 6.5800 6.5800 6.5800 7.2252 7.2252 7.2252 7.2252 7.6731 7.6731 7.6731 7.6731 7.7335 7.7335 7.7335 7.7335 8.3404 8.3404 8.3404 8.3404 8.7983 8.7983 8.7983 8.7983 9.2634 9.2634 9.2634 9.2634 11.6002 11.6002 11.6002 11.6002 13.7152 13.7152 13.7152 13.7152 15.1165 15.1165 15.1165 15.1165 k = 0.2340 0.1351 0.2912 ( 3106 PWs) bands (ev): -4.7254 -4.7254 -4.7254 -4.7254 2.5441 2.5441 2.5441 2.5441 3.6669 3.6669 3.6669 3.6669 5.1590 5.1590 5.1590 5.1590 6.0654 6.0654 6.0654 6.0654 6.2964 6.2964 6.2964 6.2964 6.4453 6.4453 6.4453 6.4453 6.5882 6.5882 6.5882 6.5882 7.2349 7.2349 7.2349 7.2349 7.6757 7.6757 7.6757 7.6757 7.7350 7.7350 7.7350 7.7350 8.3774 8.3774 8.3774 8.3774 8.7180 8.7180 8.7180 8.7180 9.1624 9.1624 9.1624 9.1624 11.6379 11.6379 11.6379 11.6379 13.6887 13.6887 13.6887 13.6887 15.1711 15.1711 15.1711 15.1711 k = 0.2447 0.1413 0.2912 ( 3106 PWs) bands (ev): -4.6970 -4.6970 -4.6970 -4.6970 2.4939 2.4939 2.4939 2.4939 3.6916 3.6916 3.6916 3.6916 5.1546 5.1546 5.1546 5.1546 6.0347 6.0347 6.0347 6.0347 6.2878 6.2878 6.2878 6.2878 6.4452 6.4452 6.4452 6.4452 6.5977 6.5977 6.5977 6.5977 7.2448 7.2448 7.2448 7.2448 7.6766 7.6766 7.6766 7.6766 7.7377 7.7377 7.7377 7.7377 8.4045 8.4045 8.4045 8.4045 8.6514 8.6514 8.6514 8.6514 9.0627 9.0627 9.0627 9.0627 11.6728 11.6728 11.6728 11.6728 13.6590 13.6590 13.6590 13.6590 15.2326 15.2326 15.2326 15.2326 k = 0.2553 0.1474 0.2912 ( 3096 PWs) bands (ev): -4.6681 -4.6681 -4.6681 -4.6681 2.4447 2.4447 2.4447 2.4447 3.7168 3.7168 3.7168 3.7168 5.1499 5.1499 5.1499 5.1499 6.0012 6.0012 6.0012 6.0012 6.2795 6.2795 6.2795 6.2795 6.4460 6.4460 6.4460 6.4460 6.6087 6.6087 6.6087 6.6087 7.2547 7.2547 7.2547 7.2547 7.6757 7.6757 7.6757 7.6757 7.7418 7.7418 7.7418 7.7418 8.4095 8.4095 8.4095 8.4095 8.6108 8.6108 8.6108 8.6108 8.9643 8.9643 8.9643 8.9643 11.7048 11.7048 11.7048 11.7048 13.6267 13.6267 13.6267 13.6267 15.3005 15.3005 15.3005 15.3005 k = 0.2660 0.1536 0.2912 ( 3096 PWs) bands (ev): -4.6391 -4.6391 -4.6391 -4.6391 2.3965 2.3965 2.3965 2.3965 3.7423 3.7423 3.7423 3.7423 5.1445 5.1445 5.1445 5.1445 5.9646 5.9646 5.9646 5.9646 6.2714 6.2714 6.2714 6.2714 6.4478 6.4478 6.4478 6.4478 6.6211 6.6211 6.6211 6.6211 7.2647 7.2647 7.2647 7.2647 7.6734 7.6734 7.6734 7.6734 7.7467 7.7467 7.7467 7.7467 8.3816 8.3816 8.3816 8.3816 8.6066 8.6066 8.6066 8.6066 8.8677 8.8677 8.8677 8.8677 11.7337 11.7337 11.7337 11.7337 13.5923 13.5923 13.5923 13.5923 15.3741 15.3741 15.3741 15.3741 k = 0.2766 0.1597 0.2912 ( 3100 PWs) bands (ev): -4.6099 -4.6099 -4.6099 -4.6099 2.3495 2.3495 2.3495 2.3495 3.7679 3.7679 3.7679 3.7679 5.1388 5.1388 5.1388 5.1388 5.9255 5.9255 5.9255 5.9255 6.2634 6.2634 6.2634 6.2634 6.4506 6.4506 6.4506 6.4506 6.6347 6.6347 6.6347 6.6347 7.2746 7.2746 7.2746 7.2746 7.6698 7.6698 7.6698 7.6698 7.7523 7.7523 7.7523 7.7523 8.3328 8.3328 8.3328 8.3328 8.6264 8.6264 8.6264 8.6264 8.7737 8.7737 8.7737 8.7737 11.7593 11.7593 11.7593 11.7593 13.5565 13.5565 13.5565 13.5565 15.4526 15.4526 15.4526 15.4526 k = 0.2872 0.1658 0.2912 ( 3100 PWs) bands (ev): -4.5807 -4.5807 -4.5807 -4.5807 2.3039 2.3039 2.3039 2.3039 3.7938 3.7938 3.7938 3.7938 5.1326 5.1326 5.1326 5.1326 5.8842 5.8842 5.8842 5.8842 6.2555 6.2555 6.2555 6.2555 6.4545 6.4545 6.4545 6.4545 6.6496 6.6496 6.6496 6.6496 7.2844 7.2844 7.2844 7.2844 7.6652 7.6652 7.6652 7.6652 7.7582 7.7582 7.7582 7.7582 8.2778 8.2778 8.2778 8.2778 8.6443 8.6443 8.6443 8.6443 8.6935 8.6935 8.6935 8.6935 11.7818 11.7818 11.7818 11.7818 13.5198 13.5198 13.5198 13.5198 15.5351 15.5351 15.5351 15.5351 k = 0.2979 0.1720 0.2912 ( 3102 PWs) bands (ev): -4.5517 -4.5517 -4.5517 -4.5517 2.2598 2.2598 2.2598 2.2598 3.8196 3.8196 3.8196 3.8196 5.1260 5.1260 5.1260 5.1260 5.8410 5.8410 5.8410 5.8410 6.2478 6.2478 6.2478 6.2478 6.4596 6.4596 6.4596 6.4596 6.6655 6.6655 6.6655 6.6655 7.2942 7.2942 7.2942 7.2942 7.6598 7.6598 7.6598 7.6598 7.7641 7.7641 7.7641 7.7641 8.2232 8.2232 8.2232 8.2232 8.5791 8.5791 8.5791 8.5791 8.7018 8.7018 8.7018 8.7018 11.8012 11.8012 11.8012 11.8012 13.4826 13.4826 13.4826 13.4826 15.6204 15.6204 15.6204 15.6204 k = 0.3085 0.1781 0.2912 ( 3102 PWs) bands (ev): -4.5230 -4.5230 -4.5230 -4.5230 2.2173 2.2173 2.2173 2.2173 3.8453 3.8453 3.8453 3.8453 5.1191 5.1191 5.1191 5.1191 5.7964 5.7964 5.7964 5.7964 6.2403 6.2403 6.2403 6.2403 6.4658 6.4658 6.4658 6.4658 6.6824 6.6824 6.6824 6.6824 7.3037 7.3037 7.3037 7.3037 7.6537 7.6537 7.6537 7.6537 7.7700 7.7700 7.7700 7.7700 8.1715 8.1715 8.1715 8.1715 8.4915 8.4915 8.4915 8.4915 8.7353 8.7353 8.7353 8.7353 11.8175 11.8175 11.8175 11.8175 13.4453 13.4453 13.4453 13.4453 15.7073 15.7073 15.7073 15.7073 k = 0.3191 0.1843 0.2912 ( 3104 PWs) bands (ev): -4.4947 -4.4947 -4.4947 -4.4947 2.1765 2.1765 2.1765 2.1765 3.8707 3.8707 3.8707 3.8707 5.1118 5.1118 5.1118 5.1118 5.7508 5.7508 5.7508 5.7508 6.2330 6.2330 6.2330 6.2330 6.4733 6.4733 6.4733 6.4733 6.7001 6.7001 6.7001 6.7001 7.3130 7.3130 7.3130 7.3130 7.6468 7.6468 7.6468 7.6468 7.7756 7.7756 7.7756 7.7756 8.1236 8.1236 8.1236 8.1236 8.4045 8.4045 8.4045 8.4045 8.7702 8.7702 8.7702 8.7702 11.8309 11.8309 11.8309 11.8309 13.4085 13.4085 13.4085 13.4085 15.7944 15.7944 15.7944 15.7944 k = 0.3298 0.1904 0.2912 ( 3108 PWs) bands (ev): -4.4670 -4.4670 -4.4670 -4.4670 2.1376 2.1376 2.1376 2.1376 3.8958 3.8958 3.8958 3.8958 5.1043 5.1043 5.1043 5.1043 5.7048 5.7048 5.7048 5.7048 6.2259 6.2259 6.2259 6.2259 6.4821 6.4821 6.4821 6.4821 6.7185 6.7185 6.7185 6.7185 7.3221 7.3221 7.3221 7.3221 7.6392 7.6392 7.6392 7.6392 7.7809 7.7809 7.7809 7.7809 8.0797 8.0797 8.0797 8.0797 8.3196 8.3196 8.3196 8.3196 8.8046 8.8046 8.8046 8.8046 11.8416 11.8416 11.8416 11.8416 13.3724 13.3724 13.3724 13.3724 15.8802 15.8802 15.8802 15.8802 k = 0.3404 0.1965 0.2912 ( 3112 PWs) bands (ev): -4.4400 -4.4400 -4.4400 -4.4400 2.1006 2.1006 2.1006 2.1006 3.9204 3.9204 3.9204 3.9204 5.0966 5.0966 5.0966 5.0966 5.6587 5.6587 5.6587 5.6587 6.2191 6.2191 6.2191 6.2191 6.4920 6.4920 6.4920 6.4920 6.7375 6.7375 6.7375 6.7375 7.3307 7.3307 7.3307 7.3307 7.6310 7.6310 7.6310 7.6310 7.7858 7.7858 7.7858 7.7858 8.0399 8.0399 8.0399 8.0399 8.2374 8.2374 8.2374 8.2374 8.8378 8.8378 8.8378 8.8378 11.8498 11.8498 11.8498 11.8498 13.3373 13.3373 13.3373 13.3373 15.9630 15.9630 15.9630 15.9630 k = 0.3511 0.2027 0.2912 ( 3108 PWs) bands (ev): -4.4139 -4.4139 -4.4139 -4.4139 2.0656 2.0656 2.0656 2.0656 3.9443 3.9443 3.9443 3.9443 5.0888 5.0888 5.0888 5.0888 5.6134 5.6134 5.6134 5.6134 6.2126 6.2126 6.2126 6.2126 6.5033 6.5033 6.5033 6.5033 6.7569 6.7569 6.7569 6.7569 7.3390 7.3390 7.3390 7.3390 7.6222 7.6222 7.6222 7.6222 7.7900 7.7900 7.7900 7.7900 8.0039 8.0039 8.0039 8.0039 8.1585 8.1585 8.1585 8.1585 8.8696 8.8696 8.8696 8.8696 11.8559 11.8559 11.8559 11.8559 13.3036 13.3036 13.3036 13.3036 16.0414 16.0414 16.0414 16.0414 k = 0.3617 0.2088 0.2912 ( 3110 PWs) bands (ev): -4.3888 -4.3888 -4.3888 -4.3888 2.0326 2.0326 2.0326 2.0326 3.9674 3.9674 3.9674 3.9674 5.0807 5.0807 5.0807 5.0807 5.5691 5.5691 5.5691 5.5691 6.2066 6.2066 6.2066 6.2066 6.5157 6.5157 6.5157 6.5157 6.7764 6.7764 6.7764 6.7764 7.3466 7.3466 7.3466 7.3466 7.6129 7.6129 7.6129 7.6129 7.7934 7.7934 7.7934 7.7934 7.9705 7.9705 7.9705 7.9705 8.0841 8.0841 8.0841 8.0841 8.8998 8.8998 8.8998 8.8998 11.8600 11.8600 11.8600 11.8600 13.2714 13.2714 13.2714 13.2714 16.1138 16.1138 16.1138 16.1138 k = 0.3723 0.2150 0.2912 ( 3108 PWs) bands (ev): -4.3649 -4.3649 -4.3649 -4.3649 2.0019 2.0019 2.0019 2.0019 3.9896 3.9896 3.9896 3.9896 5.0725 5.0725 5.0725 5.0725 5.5265 5.5265 5.5265 5.5265 6.2008 6.2008 6.2008 6.2008 6.5294 6.5294 6.5294 6.5294 6.7961 6.7961 6.7961 6.7961 7.3537 7.3537 7.3537 7.3537 7.6031 7.6031 7.6031 7.6031 7.7956 7.7956 7.7956 7.7956 7.9374 7.9374 7.9374 7.9374 8.0174 8.0174 8.0174 8.0174 8.9280 8.9280 8.9280 8.9280 11.8625 11.8625 11.8625 11.8625 13.2409 13.2409 13.2409 13.2409 16.1790 16.1790 16.1790 16.1790 k = 0.3830 0.2211 0.2912 ( 3106 PWs) bands (ev): -4.3423 -4.3423 -4.3423 -4.3423 1.9733 1.9733 1.9733 1.9733 4.0107 4.0107 4.0107 4.0107 5.0641 5.0641 5.0641 5.0641 5.4859 5.4859 5.4859 5.4859 6.1953 6.1953 6.1953 6.1953 6.5441 6.5441 6.5441 6.5441 6.8155 6.8155 6.8155 6.8155 7.3600 7.3600 7.3600 7.3600 7.5931 7.5931 7.5931 7.5931 7.7957 7.7957 7.7957 7.7957 7.8980 7.8980 7.8980 7.8980 7.9656 7.9656 7.9656 7.9656 8.9544 8.9544 8.9544 8.9544 11.8636 11.8636 11.8636 11.8636 13.2123 13.2123 13.2123 13.2123 16.2360 16.2360 16.2360 16.2360 k = 0.3936 0.2273 0.2912 ( 3122 PWs) bands (ev): -4.3211 -4.3211 -4.3211 -4.3211 1.9471 1.9471 1.9471 1.9471 4.0305 4.0305 4.0305 4.0305 5.0556 5.0556 5.0556 5.0556 5.4479 5.4479 5.4479 5.4479 6.1902 6.1902 6.1902 6.1902 6.5598 6.5598 6.5598 6.5598 6.8343 6.8343 6.8343 6.8343 7.3654 7.3654 7.3654 7.3654 7.5828 7.5828 7.5828 7.5828 7.7898 7.7898 7.7898 7.7898 7.8514 7.8514 7.8514 7.8514 7.9334 7.9334 7.9334 7.9334 8.9786 8.9786 8.9786 8.9786 11.8636 11.8636 11.8636 11.8636 13.1858 13.1858 13.1858 13.1858 16.2845 16.2845 16.2845 16.2845 k = 0.4043 0.2334 0.2912 ( 3122 PWs) bands (ev): -4.3014 -4.3014 -4.3014 -4.3014 1.9231 1.9231 1.9231 1.9231 4.0490 4.0490 4.0490 4.0490 5.0471 5.0471 5.0471 5.0471 5.4130 5.4130 5.4130 5.4130 6.1856 6.1856 6.1856 6.1856 6.5763 6.5763 6.5763 6.5763 6.8527 6.8527 6.8527 6.8527 7.3698 7.3698 7.3698 7.3698 7.5726 7.5726 7.5726 7.5726 7.7631 7.7631 7.7631 7.7631 7.8201 7.8201 7.8201 7.8201 7.9136 7.9136 7.9136 7.9136 9.0007 9.0007 9.0007 9.0007 11.8627 11.8627 11.8627 11.8627 13.1615 13.1615 13.1615 13.1615 16.3245 16.3245 16.3245 16.3245 k = 0.4149 0.2395 0.2912 ( 3118 PWs) bands (ev): -4.2835 -4.2835 -4.2835 -4.2835 1.9016 1.9016 1.9016 1.9016 4.0659 4.0659 4.0659 4.0659 5.0388 5.0388 5.0388 5.0388 5.3814 5.3814 5.3814 5.3814 6.1814 6.1814 6.1814 6.1814 6.5934 6.5934 6.5934 6.5934 6.8702 6.8702 6.8702 6.8702 7.3733 7.3733 7.3733 7.3733 7.5623 7.5623 7.5623 7.5623 7.7152 7.7152 7.7152 7.7152 7.8107 7.8107 7.8107 7.8107 7.9004 7.9004 7.9004 7.9004 9.0206 9.0206 9.0206 9.0206 11.8613 11.8613 11.8613 11.8613 13.1395 13.1395 13.1395 13.1395 16.3566 16.3566 16.3566 16.3566 k = 0.4255 0.2457 0.2912 ( 3118 PWs) bands (ev): -4.2674 -4.2674 -4.2674 -4.2674 1.8825 1.8825 1.8825 1.8825 4.0812 4.0812 4.0812 4.0812 5.0306 5.0306 5.0306 5.0306 5.3534 5.3534 5.3534 5.3534 6.1776 6.1776 6.1776 6.1776 6.6108 6.6108 6.6108 6.6108 6.8866 6.8866 6.8866 6.8866 7.3755 7.3755 7.3755 7.3755 7.5517 7.5517 7.5517 7.5517 7.6659 7.6659 7.6659 7.6659 7.8063 7.8063 7.8063 7.8063 7.8913 7.8913 7.8913 7.8913 9.0382 9.0382 9.0382 9.0382 11.8595 11.8595 11.8595 11.8595 13.1199 13.1199 13.1199 13.1199 16.3815 16.3815 16.3815 16.3815 k = 0.4362 0.2518 0.2912 ( 3114 PWs) bands (ev): -4.2531 -4.2531 -4.2531 -4.2531 1.8659 1.8659 1.8659 1.8659 4.0948 4.0948 4.0948 4.0948 5.0227 5.0227 5.0227 5.0227 5.3291 5.3291 5.3291 5.3291 6.1743 6.1743 6.1743 6.1743 6.6279 6.6279 6.6279 6.6279 6.9016 6.9016 6.9016 6.9016 7.3765 7.3765 7.3765 7.3765 7.5396 7.5396 7.5396 7.5396 7.6224 7.6224 7.6224 7.6224 7.8028 7.8028 7.8028 7.8028 7.8852 7.8852 7.8852 7.8852 9.0535 9.0535 9.0535 9.0535 11.8575 11.8575 11.8575 11.8575 13.1027 13.1027 13.1027 13.1027 16.4004 16.4004 16.4004 16.4004 k = 0.4468 0.2580 0.2912 ( 3110 PWs) bands (ev): -4.2409 -4.2409 -4.2409 -4.2409 1.8518 1.8518 1.8518 1.8518 4.1064 4.1064 4.1064 4.1064 5.0155 5.0155 5.0155 5.0155 5.3088 5.3088 5.3088 5.3088 6.1715 6.1715 6.1715 6.1715 6.6444 6.6444 6.6444 6.6444 6.9150 6.9150 6.9150 6.9150 7.3765 7.3765 7.3765 7.3765 7.5236 7.5236 7.5236 7.5236 7.5891 7.5891 7.5891 7.5891 7.7995 7.7995 7.7995 7.7995 7.8813 7.8813 7.8813 7.8813 9.0666 9.0666 9.0666 9.0666 11.8555 11.8555 11.8555 11.8555 13.0881 13.0881 13.0881 13.0881 16.4142 16.4142 16.4142 16.4142 k = 0.4574 0.2641 0.2912 ( 3110 PWs) bands (ev): -4.2309 -4.2309 -4.2309 -4.2309 1.8402 1.8402 1.8402 1.8402 4.1161 4.1161 4.1161 4.1161 5.0091 5.0091 5.0091 5.0091 5.2923 5.2923 5.2923 5.2923 6.1692 6.1692 6.1692 6.1692 6.6594 6.6594 6.6594 6.6594 6.9265 6.9265 6.9265 6.9265 7.3754 7.3754 7.3754 7.3754 7.5024 7.5024 7.5024 7.5024 7.5686 7.5686 7.5686 7.5686 7.7965 7.7965 7.7965 7.7965 7.8788 7.8788 7.8788 7.8788 9.0772 9.0772 9.0772 9.0772 11.8537 11.8537 11.8537 11.8537 13.0761 13.0761 13.0761 13.0761 16.4241 16.4241 16.4241 16.4241 k = 0.4681 0.2702 0.2912 ( 3118 PWs) bands (ev): -4.2229 -4.2229 -4.2229 -4.2229 1.8312 1.8312 1.8312 1.8312 4.1236 4.1236 4.1236 4.1236 5.0037 5.0037 5.0037 5.0037 5.2796 5.2796 5.2796 5.2796 6.1674 6.1674 6.1674 6.1674 6.6722 6.6722 6.6722 6.6722 6.9358 6.9358 6.9358 6.9358 7.3735 7.3735 7.3735 7.3735 7.4800 7.4800 7.4800 7.4800 7.5577 7.5577 7.5577 7.5577 7.7940 7.7940 7.7940 7.7940 7.8773 7.8773 7.8773 7.8773 9.0856 9.0856 9.0856 9.0856 11.8522 11.8522 11.8522 11.8522 13.0666 13.0666 13.0666 13.0666 16.4308 16.4308 16.4308 16.4308 k = 0.4787 0.2764 0.2912 ( 3114 PWs) bands (ev): -4.2172 -4.2172 -4.2172 -4.2172 1.8247 1.8247 1.8247 1.8247 4.1291 4.1291 4.1291 4.1291 4.9997 4.9997 4.9997 4.9997 5.2706 5.2706 5.2706 5.2706 6.1661 6.1661 6.1661 6.1661 6.6822 6.6822 6.6822 6.6822 6.9426 6.9426 6.9426 6.9426 7.3713 7.3713 7.3713 7.3713 7.4620 7.4620 7.4620 7.4620 7.5519 7.5519 7.5519 7.5519 7.7921 7.7921 7.7921 7.7921 7.8764 7.8764 7.8764 7.8764 9.0915 9.0915 9.0915 9.0915 11.8510 11.8510 11.8510 11.8510 13.0599 13.0599 13.0599 13.0599 16.4351 16.4351 16.4351 16.4351 k = 0.4894 0.2825 0.2912 ( 3104 PWs) bands (ev): -4.2138 -4.2138 -4.2138 -4.2138 1.8208 1.8208 1.8208 1.8208 4.1325 4.1325 4.1325 4.1325 4.9972 4.9972 4.9972 4.9972 5.2653 5.2653 5.2653 5.2653 6.1653 6.1653 6.1653 6.1653 6.6885 6.6885 6.6885 6.6885 6.9468 6.9468 6.9468 6.9468 7.3695 7.3695 7.3695 7.3695 7.4508 7.4508 7.4508 7.4508 7.5491 7.5491 7.5491 7.5491 7.7910 7.7910 7.7910 7.7910 7.8760 7.8760 7.8760 7.8760 9.0951 9.0951 9.0951 9.0951 11.8503 11.8503 11.8503 11.8503 13.0558 13.0558 13.0558 13.0558 16.4375 16.4375 16.4375 16.4375 k = 0.5000 0.2887 0.2912 ( 3104 PWs) bands (ev): -4.2126 -4.2126 -4.2126 -4.2126 1.8195 1.8195 1.8195 1.8195 4.1336 4.1336 4.1336 4.1336 4.9963 4.9963 4.9963 4.9963 5.2635 5.2635 5.2635 5.2635 6.1651 6.1651 6.1651 6.1651 6.6907 6.6907 6.6907 6.6907 6.9482 6.9482 6.9482 6.9482 7.3687 7.3687 7.3687 7.3687 7.4471 7.4471 7.4471 7.4471 7.5483 7.5483 7.5483 7.5483 7.7906 7.7906 7.7906 7.7906 7.8758 7.8758 7.8758 7.8758 9.0963 9.0963 9.0963 9.0963 11.8500 11.8500 11.8500 11.8500 13.0545 13.0545 13.0545 13.0545 16.4382 16.4382 16.4382 16.4382 k = 0.5000 0.2887 0.2912 ( 3104 PWs) bands (ev): -4.2126 -4.2126 -4.2126 -4.2126 1.8195 1.8195 1.8195 1.8195 4.1336 4.1336 4.1336 4.1336 4.9963 4.9963 4.9963 4.9963 5.2635 5.2635 5.2635 5.2635 6.1651 6.1651 6.1651 6.1651 6.6907 6.6907 6.6907 6.6907 6.9482 6.9482 6.9482 6.9482 7.3687 7.3687 7.3687 7.3687 7.4471 7.4471 7.4471 7.4471 7.5483 7.5483 7.5483 7.5483 7.7906 7.7906 7.7906 7.7906 7.8758 7.8758 7.8758 7.8758 9.0963 9.0963 9.0963 9.0963 11.8500 11.8500 11.8500 11.8500 13.0545 13.0545 13.0545 13.0545 16.4382 16.4382 16.4382 16.4382 k = 0.4938 0.2994 0.2912 ( 3108 PWs) bands (ev): -4.2124 -4.2124 -4.2124 -4.2124 1.8210 1.8210 1.8210 1.8210 4.1314 4.1314 4.1316 4.1316 4.9967 4.9967 4.9971 4.9971 5.2636 5.2636 5.2644 5.2644 6.1653 6.1653 6.1662 6.1662 6.6855 6.6855 6.6874 6.6874 6.9465 6.9465 6.9491 6.9491 7.3652 7.3652 7.3668 7.3668 7.4422 7.4422 7.4462 7.4462 7.5475 7.5475 7.5478 7.5478 7.7925 7.7925 7.7956 7.7956 7.8771 7.8771 7.8773 7.8773 9.0963 9.0963 9.0971 9.0971 11.8558 11.8558 11.8569 11.8569 13.0578 13.0578 13.0586 13.0586 16.4300 16.4300 16.4304 16.4304 k = 0.4877 0.3101 0.2912 ( 3108 PWs) bands (ev): -4.2116 -4.2116 -4.2116 -4.2116 1.8255 1.8255 1.8255 1.8255 4.1252 4.1252 4.1254 4.1254 4.9982 4.9982 4.9990 4.9990 5.2646 5.2646 5.2663 5.2663 6.1670 6.1670 6.1688 6.1688 6.6720 6.6720 6.6757 6.6757 6.9441 6.9441 6.9491 6.9491 7.3557 7.3557 7.3587 7.3587 7.4332 7.4332 7.4412 7.4412 7.5458 7.5458 7.5468 7.5468 7.8005 7.8005 7.8062 7.8062 7.8814 7.8814 7.8816 7.8816 9.0972 9.0972 9.0986 9.0986 11.8739 11.8739 11.8762 11.8762 13.0687 13.0687 13.0703 13.0703 16.4061 16.4061 16.4069 16.4069 k = 0.4815 0.3208 0.2912 ( 3110 PWs) bands (ev): -4.2103 -4.2103 -4.2103 -4.2103 1.8329 1.8329 1.8330 1.8330 4.1147 4.1147 4.1150 4.1150 5.0005 5.0005 5.0018 5.0018 5.2666 5.2666 5.2692 5.2692 6.1698 6.1698 6.1724 6.1724 6.6512 6.6512 6.6563 6.6563 6.9408 6.9408 6.9479 6.9479 7.3387 7.3387 7.3428 7.3428 7.4227 7.4227 7.4346 7.4346 7.5440 7.5440 7.5461 7.5461 7.8122 7.8122 7.8194 7.8194 7.8895 7.8895 7.8895 7.8895 9.0987 9.0987 9.1008 9.1008 11.9040 11.9040 11.9074 11.9074 13.0873 13.0873 13.0896 13.0896 16.3672 16.3672 16.3684 16.3684 k = 0.4753 0.3314 0.2912 ( 3114 PWs) bands (ev): -4.2085 -4.2085 -4.2085 -4.2085 1.8434 1.8434 1.8434 1.8434 4.1001 4.1001 4.1005 4.1005 5.0037 5.0037 5.0053 5.0053 5.2698 5.2698 5.2733 5.2733 6.1735 6.1735 6.1769 6.1769 6.6240 6.6240 6.6303 6.6303 6.9367 6.9367 6.9457 6.9457 7.3131 7.3131 7.3184 7.3184 7.4133 7.4133 7.4288 7.4288 7.5425 7.5425 7.5457 7.5457 7.8246 7.8246 7.8321 7.8321 7.9015 7.9015 7.9025 7.9025 9.1008 9.1008 9.1035 9.1035 11.9453 11.9453 11.9498 11.9498 13.1138 13.1138 13.1170 13.1170 16.3147 16.3147 16.3160 16.3160 k = 0.4691 0.3421 0.2912 ( 3116 PWs) bands (ev): -4.2062 -4.2062 -4.2062 -4.2062 1.8568 1.8568 1.8568 1.8568 4.0814 4.0814 4.0819 4.0819 5.0074 5.0074 5.0095 5.0095 5.2746 5.2746 5.2789 5.2789 6.1777 6.1777 6.1819 6.1819 6.5921 6.5921 6.5992 6.5992 6.9316 6.9316 6.9421 6.9421 7.2801 7.2801 7.2864 7.2864 7.4059 7.4059 7.4245 7.4245 7.5412 7.5412 7.5456 7.5456 7.8356 7.8356 7.8427 7.8427 7.9180 7.9180 7.9204 7.9204 9.1033 9.1033 9.1066 9.1066 11.9966 11.9966 12.0021 12.0021 13.1487 13.1487 13.1527 13.1527 16.2500 16.2500 16.2514 16.2514 k = 0.4630 0.3528 0.2912 ( 3120 PWs) bands (ev): -4.2035 -4.2035 -4.2035 -4.2035 1.8732 1.8732 1.8732 1.8732 4.0584 4.0584 4.0590 4.0590 5.0114 5.0114 5.0140 5.0140 5.2810 5.2810 5.2863 5.2863 6.1814 6.1814 6.1862 6.1862 6.5574 6.5574 6.5651 6.5651 6.9254 6.9254 6.9371 6.9371 7.2415 7.2415 7.2488 7.2488 7.4000 7.4000 7.4213 7.4213 7.5401 7.5401 7.5454 7.5454 7.8448 7.8448 7.8510 7.8510 7.9382 7.9382 7.9419 7.9419 9.1061 9.1061 9.1100 9.1100 12.0566 12.0566 12.0631 12.0631 13.1925 13.1925 13.1972 13.1972 16.1749 16.1749 16.1762 16.1762 k = 0.4568 0.3635 0.2912 ( 3118 PWs) bands (ev): -4.2003 -4.2003 -4.2003 -4.2003 1.8925 1.8925 1.8925 1.8925 4.0313 4.0313 4.0319 4.0319 5.0154 5.0154 5.0184 5.0184 5.2894 5.2894 5.2956 5.2956 6.1836 6.1836 6.1888 6.1888 6.5223 6.5223 6.5301 6.5301 6.9178 6.9178 6.9305 6.9305 7.1992 7.1992 7.2073 7.2073 7.3952 7.3952 7.4189 7.4189 7.5389 7.5389 7.5451 7.5451 7.8524 7.8524 7.8579 7.8579 7.9606 7.9606 7.9653 7.9653 9.1091 9.1091 9.1135 9.1135 12.1237 12.1237 12.1313 12.1313 13.2457 13.2457 13.2510 13.2510 16.0912 16.0912 16.0923 16.0923 k = 0.4506 0.3742 0.2912 ( 3122 PWs) bands (ev): -4.1967 -4.1967 -4.1967 -4.1967 1.9147 1.9147 1.9147 1.9147 4.0000 4.0000 4.0007 4.0007 5.0191 5.0191 5.0225 5.0225 5.3000 5.3000 5.3071 5.3071 6.1825 6.1825 6.1876 6.1876 6.4896 6.4896 6.4970 6.4970 6.9086 6.9086 6.9220 6.9220 7.1544 7.1544 7.1633 7.1633 7.3910 7.3910 7.4169 7.4169 7.5373 7.5373 7.5443 7.5443 7.8591 7.8591 7.8642 7.8642 7.9839 7.9839 7.9895 7.9895 9.1121 9.1121 9.1169 9.1169 12.1964 12.1964 12.2048 12.2048 13.3087 13.3087 13.3146 13.3146 16.0009 16.0009 16.0015 16.0015 k = 0.4444 0.3849 0.2912 ( 3118 PWs) bands (ev): -4.1927 -4.1927 -4.1927 -4.1927 1.9398 1.9398 1.9398 1.9398 3.9645 3.9645 3.9652 3.9652 5.0224 5.0224 5.0260 5.0260 5.3131 5.3131 5.3212 5.3212 6.1762 6.1762 6.1806 6.1806 6.4629 6.4629 6.4691 6.4691 6.8972 6.8972 6.9109 6.9109 7.1089 7.1089 7.1182 7.1182 7.3875 7.3875 7.4153 7.4153 7.5352 7.5352 7.5429 7.5429 7.8652 7.8652 7.8700 7.8700 8.0074 8.0074 8.0136 8.0136 9.1149 9.1149 9.1201 9.1201 12.2730 12.2730 12.2821 12.2821 13.3821 13.3821 13.3883 13.3883 15.9058 15.9058 15.9059 15.9059 k = 0.4383 0.3956 0.2912 ( 3134 PWs) bands (ev): -4.1884 -4.1884 -4.1884 -4.1884 1.9678 1.9678 1.9678 1.9678 3.9248 3.9248 3.9255 3.9255 5.0249 5.0249 5.0288 5.0288 5.3289 5.3289 5.3378 5.3378 6.1625 6.1625 6.1655 6.1655 6.4447 6.4447 6.4489 6.4489 6.8827 6.8827 6.8961 6.8961 7.0639 7.0639 7.0733 7.0733 7.3843 7.3843 7.4140 7.4140 7.5326 7.5326 7.5408 7.5408 7.8709 7.8709 7.8755 7.8755 8.0304 8.0304 8.0369 8.0369 9.1176 9.1176 9.1232 9.1232 12.3520 12.3520 12.3616 12.3616 13.4657 13.4657 13.4722 13.4722 15.8072 15.8072 15.8078 15.8078 k = 0.4321 0.4063 0.2912 ( 3126 PWs) bands (ev): -4.1838 -4.1838 -4.1838 -4.1838 1.9986 1.9986 1.9986 1.9986 3.8810 3.8810 3.8817 3.8817 5.0267 5.0267 5.0307 5.0307 5.3475 5.3475 5.3572 5.3572 6.1412 6.1412 6.1421 6.1421 6.4366 6.4366 6.4382 6.4382 6.8638 6.8638 6.8759 6.8759 7.0220 7.0220 7.0306 7.0306 7.3817 7.3817 7.4129 7.4129 7.5296 7.5296 7.5381 7.5381 7.8765 7.8765 7.8810 7.8810 8.0527 8.0527 8.0594 8.0594 9.1201 9.1201 9.1259 9.1259 12.4320 12.4320 12.4421 12.4421 13.5594 13.5594 13.5658 13.5658 15.7075 15.7075 15.7090 15.7090 k = 0.4259 0.4170 0.2912 ( 3122 PWs) bands (ev): -4.1789 -4.1789 -4.1789 -4.1789 2.0322 2.0322 2.0323 2.0323 3.8331 3.8331 3.8338 3.8338 5.0278 5.0278 5.0318 5.0318 5.3688 5.3688 5.3793 5.3793 6.1121 6.1121 6.1131 6.1131 6.4364 6.4364 6.4374 6.4374 6.8387 6.8387 6.8480 6.8480 6.9858 6.9858 6.9923 6.9923 7.3796 7.3796 7.4120 7.4120 7.5260 7.5260 7.5348 7.5348 7.8819 7.8819 7.8863 7.8863 8.0738 8.0738 8.0807 8.0807 9.1223 9.1223 9.1284 9.1284 12.5121 12.5121 12.5224 12.5224 13.6621 13.6621 13.6681 13.6681 15.6090 15.6090 15.6116 15.6116 k = 0.4198 0.4277 0.2912 ( 3124 PWs) bands (ev): -4.1738 -4.1738 -4.1738 -4.1738 2.0686 2.0686 2.0687 2.0687 3.7814 3.7814 3.7820 3.7820 5.0280 5.0280 5.0320 5.0320 5.3928 5.3928 5.4040 5.4040 6.0780 6.0780 6.0807 6.0807 6.4415 6.4415 6.4451 6.4451 6.8058 6.8058 6.8112 6.8112 6.9566 6.9566 6.9600 6.9600 7.3779 7.3779 7.4115 7.4115 7.5218 7.5218 7.5308 7.5308 7.8871 7.8871 7.8915 7.8915 8.0935 8.0935 8.1005 8.1005 9.1243 9.1243 9.1306 9.1306 12.5916 12.5916 12.6019 12.6019 13.7718 13.7718 13.7770 13.7770 15.5143 15.5143 15.5184 15.5184 k = 0.4136 0.4384 0.2912 ( 3120 PWs) bands (ev): -4.1686 -4.1686 -4.1686 -4.1686 2.1078 2.1078 2.1078 2.1078 3.7259 3.7259 3.7265 3.7265 5.0276 5.0276 5.0315 5.0315 5.4195 5.4195 5.4315 5.4315 6.0423 6.0423 6.0464 6.0464 6.4514 6.4514 6.4572 6.4572 6.7657 6.7657 6.7669 6.7669 6.9337 6.9337 6.9343 6.9343 7.3767 7.3767 7.4112 7.4112 7.5172 7.5172 7.5263 7.5263 7.8920 7.8920 7.8966 7.8966 8.1120 8.1120 8.1190 8.1190 9.1260 9.1260 9.1325 9.1325 12.6702 12.6702 12.6803 12.6803 13.8852 13.8852 13.8890 13.8890 15.4269 15.4269 15.4331 15.4331 k = 0.4074 0.4491 0.2912 ( 3120 PWs) bands (ev): -4.1633 -4.1633 -4.1633 -4.1633 2.1496 2.1496 2.1496 2.1496 3.6670 3.6670 3.6676 3.6676 5.0266 5.0266 5.0303 5.0303 5.4488 5.4488 5.4615 5.4615 6.0069 6.0069 6.0121 6.0121 6.4639 6.4639 6.4719 6.4719 6.7178 6.7178 6.7202 6.7202 6.9135 6.9135 6.9150 6.9150 7.3760 7.3760 7.4113 7.4113 7.5121 7.5121 7.5212 7.5212 7.8968 7.8968 7.9014 7.9014 8.1289 8.1289 8.1360 8.1360 9.1274 9.1274 9.1341 9.1341 12.7477 12.7477 12.7577 12.7577 13.9972 13.9972 13.9988 13.9988 15.3521 15.3521 15.3609 15.3609 k = 0.4012 0.4597 0.2912 ( 3120 PWs) bands (ev): -4.1579 -4.1579 -4.1579 -4.1579 2.1940 2.1940 2.1941 2.1941 3.6049 3.6049 3.6054 3.6054 5.0250 5.0250 5.0286 5.0286 5.4804 5.4804 5.4940 5.4940 5.9731 5.9731 5.9791 5.9791 6.4772 6.4772 6.4871 6.4871 6.6670 6.6670 6.6722 6.6722 6.8960 6.8960 6.8986 6.8986 7.3757 7.3757 7.4117 7.4117 7.5067 7.5067 7.5157 7.5157 7.9012 7.9012 7.9059 7.9059 8.1444 8.1444 8.1515 8.1515 9.1286 9.1286 9.1355 9.1355 12.8244 12.8244 12.8340 12.8340 14.0983 14.0983 14.0996 14.0996 15.2972 15.2972 15.3097 15.3097 k = 0.3951 0.4704 0.2912 ( 3120 PWs) bands (ev): -4.1526 -4.1526 -4.1526 -4.1526 2.2410 2.2410 2.2411 2.2411 3.5399 3.5399 3.5405 3.5405 5.0232 5.0232 5.0266 5.0266 5.5142 5.5142 5.5287 5.5287 5.9416 5.9416 5.9483 5.9483 6.4877 6.4877 6.4987 6.4987 6.6189 6.6189 6.6259 6.6259 6.8806 6.8806 6.8835 6.8835 7.3759 7.3759 7.4124 7.4124 7.5009 7.5009 7.5099 7.5099 7.9053 7.9053 7.9101 7.9101 8.1583 8.1583 8.1654 8.1654 9.1297 9.1297 9.1366 9.1366 12.9006 12.9006 12.9097 12.9097 14.1767 14.1767 14.1817 14.1817 15.2727 15.2727 15.2896 15.2896 k = 0.3889 0.4811 0.2912 ( 3120 PWs) bands (ev): -4.1474 -4.1474 -4.1474 -4.1474 2.2904 2.2904 2.2905 2.2905 3.4726 3.4726 3.4731 3.4731 5.0211 5.0211 5.0243 5.0243 5.5500 5.5500 5.5657 5.5657 5.9130 5.9130 5.9202 5.9202 6.4867 6.4867 6.4946 6.4946 6.5860 6.5860 6.5902 6.5902 6.8666 6.8666 6.8692 6.8692 7.3766 7.3766 7.4135 7.4135 7.4948 7.4948 7.5038 7.5038 7.9091 7.9091 7.9140 7.9140 8.1707 8.1707 8.1778 8.1778 9.1305 9.1305 9.1376 9.1376 12.9763 12.9763 12.9849 12.9849 14.2229 14.2229 14.2317 14.2317 15.2895 15.2895 15.3111 15.3111 k = 0.3827 0.4918 0.2912 ( 3120 PWs) bands (ev): -4.1424 -4.1424 -4.1424 -4.1424 2.3423 2.3423 2.3424 2.3424 3.4033 3.4033 3.4037 3.4037 5.0189 5.0189 5.0219 5.0219 5.5877 5.5877 5.6047 5.6047 5.8878 5.8878 5.8953 5.8953 6.4604 6.4604 6.4613 6.4613 6.5785 6.5785 6.5828 6.5828 6.8535 6.8535 6.8553 6.8553 7.3776 7.3776 7.4150 7.4150 7.4886 7.4886 7.4976 7.4976 7.9126 7.9126 7.9176 7.9176 8.1816 8.1816 8.1886 8.1886 9.1313 9.1313 9.1384 9.1384 13.0520 13.0520 13.0600 13.0600 14.2317 14.2317 14.2434 14.2434 15.3528 15.3528 15.3786 15.3786 k = 0.3765 0.5025 0.2912 ( 3116 PWs) bands (ev): -4.1377 -4.1377 -4.1377 -4.1377 2.3965 2.3965 2.3966 2.3966 3.3324 3.3324 3.3328 3.3328 5.0166 5.0166 5.0194 5.0194 5.6270 5.6270 5.6456 5.6456 5.8661 5.8661 5.8737 5.8737 6.4097 6.4097 6.4169 6.4169 6.5851 6.5851 6.5955 6.5955 6.8413 6.8413 6.8419 6.8419 7.3789 7.3789 7.4167 7.4167 7.4822 7.4822 7.4914 7.4914 7.9156 7.9156 7.9208 7.9208 8.1910 8.1910 8.1980 8.1980 9.1319 9.1319 9.1392 9.1392 13.1279 13.1279 13.1352 13.1352 14.2069 14.2069 14.2204 14.2204 15.4581 15.4581 15.4875 15.4875 k = 0.3704 0.5132 0.2912 ( 3116 PWs) bands (ev): -4.1333 -4.1333 -4.1333 -4.1333 2.4529 2.4529 2.4530 2.4530 3.2605 3.2605 3.2609 3.2609 5.0144 5.0144 5.0171 5.0171 5.6674 5.6674 5.6880 5.6880 5.8480 5.8480 5.8555 5.8555 6.3541 6.3541 6.3660 6.3660 6.5979 6.5979 6.6123 6.6123 6.8289 6.8289 6.8300 6.8300 7.3804 7.3804 7.4189 7.4189 7.4759 7.4759 7.4853 7.4853 7.9183 7.9183 7.9236 7.9236 8.1990 8.1990 8.2060 8.2060 9.1325 9.1325 9.1398 9.1398 13.2042 13.2042 13.2107 13.2107 14.1574 14.1574 14.1719 14.1719 15.5945 15.5945 15.6273 15.6273 k = 0.3642 0.5239 0.2912 ( 3118 PWs) bands (ev): -4.1294 -4.1294 -4.1293 -4.1293 2.5114 2.5114 2.5115 2.5115 3.1881 3.1881 3.1884 3.1884 5.0124 5.0124 5.0149 5.0149 5.7083 5.7083 5.7310 5.7310 5.8343 5.8343 5.8408 5.8408 6.2972 6.2972 6.3135 6.3135 6.6118 6.6118 6.6297 6.6297 6.8166 6.8166 6.8198 6.8198 7.3821 7.3821 7.4213 7.4213 7.4695 7.4695 7.4795 7.4795 7.9207 7.9207 7.9260 7.9260 8.2055 8.2055 8.2125 8.2125 9.1330 9.1330 9.1403 9.1403 13.2808 13.2808 13.2863 13.2863 14.0922 14.0922 14.1075 14.1075 15.7504 15.7504 15.7874 15.7874 k = 0.3580 0.5346 0.2912 ( 3118 PWs) bands (ev): -4.1259 -4.1259 -4.1259 -4.1259 2.5718 2.5718 2.5720 2.5720 3.1156 3.1156 3.1159 3.1159 5.0106 5.0106 5.0130 5.0130 5.7483 5.7483 5.7713 5.7713 5.8280 5.8280 5.8303 5.8303 6.2402 6.2402 6.2618 6.2618 6.6249 6.6249 6.6460 6.6460 6.8053 6.8053 6.8110 6.8110 7.3838 7.3838 7.4241 7.4241 7.4634 7.4634 7.4743 7.4743 7.9226 7.9226 7.9280 7.9280 8.2107 8.2107 8.2177 8.2177 9.1334 9.1334 9.1408 9.1408 13.3578 13.3578 13.3620 13.3620 14.0181 14.0181 14.0343 14.0343 15.9149 15.9149 15.9580 15.9580 k = 0.3519 0.5453 0.2912 ( 3114 PWs) bands (ev): -4.1231 -4.1231 -4.1231 -4.1231 2.6340 2.6340 2.6342 2.6342 3.0435 3.0435 3.0438 3.0438 5.0091 5.0091 5.0114 5.0114 5.7829 5.7829 5.7927 5.7927 5.8272 5.8272 5.8446 5.8446 6.1843 6.1843 6.2131 6.2131 6.6359 6.6359 6.6603 6.6603 6.7954 6.7954 6.8039 6.8039 7.3854 7.3854 7.4271 7.4271 7.4576 7.4576 7.4697 7.4697 7.9241 7.9241 7.9296 7.9296 8.2146 8.2146 8.2216 8.2216 9.1338 9.1338 9.1413 9.1413 13.4350 13.4350 13.4372 13.4372 13.9396 13.9396 13.9574 13.9574 16.0761 16.0761 16.1283 16.1283 k = 0.3457 0.5560 0.2912 ( 3110 PWs) bands (ev): -4.1210 -4.1210 -4.1210 -4.1210 2.6977 2.6977 2.6979 2.6979 2.9725 2.9725 2.9728 2.9728 5.0080 5.0080 5.0103 5.0103 5.7936 5.7936 5.7983 5.7983 5.8421 5.8421 5.8843 5.8843 6.1308 6.1308 6.1702 6.1702 6.6441 6.6441 6.6715 6.6715 6.7877 6.7877 6.7989 6.7989 7.3868 7.3868 7.4304 7.4304 7.4522 7.4522 7.4662 7.4662 7.9252 7.9252 7.9307 7.9307 8.2174 8.2174 8.2243 8.2243 9.1342 9.1342 9.1416 9.1416 13.5100 13.5100 13.5112 13.5112 13.8604 13.8604 13.8814 13.8814 16.2169 16.2169 16.2818 16.2818 k = 0.3395 0.5667 0.2912 ( 3102 PWs) bands (ev): -4.1196 -4.1196 -4.1196 -4.1196 2.7620 2.7620 2.7622 2.7622 2.9037 2.9037 2.9039 2.9039 5.0073 5.0073 5.0095 5.0095 5.7916 5.7916 5.7993 5.7993 5.8652 5.8652 5.9252 5.9252 6.0841 6.0841 6.1386 6.1386 6.6490 6.6490 6.6786 6.6786 6.7829 6.7829 6.7961 6.7961 7.3877 7.3877 7.4335 7.4335 7.4479 7.4479 7.4639 7.4639 7.9259 7.9259 7.9314 7.9314 8.2190 8.2190 8.2259 8.2259 9.1344 9.1344 9.1419 9.1419 13.5743 13.5743 13.5824 13.5824 13.7867 13.7867 13.8143 13.8143 16.3123 16.3123 16.3899 16.3899 k = 0.3333 0.5774 0.2912 ( 3102 PWs) bands (ev): -4.1192 -4.1192 -4.1192 -4.1192 2.8118 2.8118 2.8118 2.8118 2.8523 2.8523 2.8527 2.8527 5.0071 5.0071 5.0093 5.0093 5.7907 5.7907 5.7989 5.7989 5.8753 5.8753 5.9465 5.9465 6.0611 6.0611 6.1263 6.1263 6.6506 6.6506 6.6809 6.6809 6.7814 6.7814 6.7952 6.7952 7.3880 7.3880 7.4351 7.4351 7.4458 7.4458 7.4632 7.4632 7.9261 7.9261 7.9317 7.9317 8.2195 8.2195 8.2264 8.2264 9.1345 9.1345 9.1420 9.1420 13.6059 13.6059 13.6227 13.6227 13.7453 13.7453 13.7816 13.7816 16.3439 16.3439 16.4260 16.4260 k = 0.3333 0.5774 0.2912 ( 3102 PWs) bands (ev): -4.1192 -4.1192 -4.1192 -4.1192 2.8118 2.8118 2.8118 2.8118 2.8523 2.8523 2.8527 2.8527 5.0071 5.0071 5.0093 5.0093 5.7907 5.7907 5.7989 5.7989 5.8753 5.8753 5.9465 5.9465 6.0611 6.0611 6.1263 6.1263 6.6506 6.6506 6.6809 6.6809 6.7814 6.7814 6.7952 6.7952 7.3880 7.3880 7.4351 7.4351 7.4458 7.4458 7.4632 7.4632 7.9261 7.9261 7.9317 7.9317 8.2195 8.2195 8.2264 8.2264 9.1345 9.1345 9.1420 9.1420 13.6059 13.6059 13.6227 13.6227 13.7453 13.7453 13.7816 13.7816 16.3439 16.3439 16.4260 16.4260 k = 0.3272 0.5667 0.2912 ( 3106 PWs) bands (ev): -4.1197 -4.1197 -4.1197 -4.1197 2.7625 2.7625 2.7626 2.7626 2.9033 2.9033 2.9035 2.9035 5.0073 5.0073 5.0095 5.0095 5.7916 5.7916 5.7994 5.7994 5.8649 5.8649 5.9249 5.9249 6.0844 6.0844 6.1387 6.1387 6.6492 6.6492 6.6789 6.6789 6.7826 6.7826 6.7958 6.7958 7.3877 7.3877 7.4335 7.4335 7.4479 7.4479 7.4640 7.4640 7.9258 7.9258 7.9314 7.9314 8.2190 8.2190 8.2259 8.2259 9.1344 9.1344 9.1419 9.1419 13.5748 13.5748 13.5830 13.5830 13.7863 13.7863 13.8140 13.8140 16.3183 16.3183 16.3980 16.3980 k = 0.3210 0.5560 0.2912 ( 3106 PWs) bands (ev): -4.1212 -4.1212 -4.1212 -4.1212 2.6997 2.6997 2.6998 2.6998 2.9709 2.9709 2.9712 2.9712 5.0081 5.0081 5.0103 5.0103 5.7943 5.7943 5.8002 5.8002 5.8393 5.8393 5.8824 5.8824 6.1320 6.1320 6.1711 6.1711 6.6455 6.6455 6.6737 6.6737 6.7854 6.7854 6.7972 6.7972 7.3868 7.3868 7.4303 7.4303 7.4525 7.4525 7.4664 7.4664 7.9252 7.9252 7.9307 7.9307 8.2177 8.2177 8.2246 8.2246 9.1340 9.1340 9.1415 9.1415 13.5129 13.5129 13.5142 13.5142 13.8590 13.8590 13.8801 13.8801 16.2541 16.2541 16.3297 16.3297 k = 0.3148 0.5453 0.2912 ( 3114 PWs) bands (ev): -4.1239 -4.1239 -4.1239 -4.1239 2.6386 2.6386 2.6388 2.6388 3.0401 3.0401 3.0403 3.0403 5.0092 5.0092 5.0116 5.0116 5.7906 5.7906 5.7984 5.7984 5.8168 5.8168 5.8360 5.8360 6.1871 6.1871 6.2156 6.2156 6.6404 6.6404 6.6665 6.6665 6.7884 6.7884 6.7986 6.7986 7.3853 7.3853 7.4270 7.4270 7.4583 7.4583 7.4705 7.4705 7.9241 7.9241 7.9296 7.9296 8.2156 8.2156 8.2225 8.2225 9.1332 9.1332 9.1407 9.1407 13.4427 13.4427 13.4448 13.4448 13.9374 13.9374 13.9555 13.9555 16.1648 16.1648 16.2357 16.2357 k = 0.3086 0.5346 0.2912 ( 3112 PWs) bands (ev): -4.1277 -4.1277 -4.1277 -4.1277 2.5804 2.5804 2.5805 2.5805 3.1098 3.1098 3.1100 3.1100 5.0109 5.0109 5.0133 5.0133 5.7564 5.7564 5.7872 5.7872 5.8068 5.8068 5.8174 5.8174 6.2456 6.2456 6.2667 6.2667 6.6347 6.6347 6.6587 6.6587 6.7908 6.7908 6.7994 6.7994 7.3836 7.3836 7.4239 7.4239 7.4650 7.4650 7.4760 7.4760 7.9226 7.9226 7.9280 7.9280 8.2130 8.2130 8.2200 8.2200 9.1320 9.1320 9.1394 9.1394 13.3729 13.3729 13.3769 13.3769 14.0171 14.0171 14.0338 14.0338 16.0584 16.0584 16.1245 16.1245 k = 0.3025 0.5239 0.2912 ( 3112 PWs) bands (ev): -4.1328 -4.1328 -4.1328 -4.1328 2.5253 2.5253 2.5254 2.5254 3.1795 3.1795 3.1798 3.1798 5.0130 5.0130 5.0155 5.0155 5.7174 5.7174 5.7436 5.7436 5.8133 5.8133 5.8237 5.8237 6.3056 6.3056 6.3214 6.3214 6.6292 6.6292 6.6511 6.6511 6.7920 6.7920 6.7994 6.7994 7.3816 7.3816 7.4209 7.4209 7.4725 7.4725 7.4828 7.4828 7.9206 7.9206 7.9259 7.9259 8.2099 8.2099 8.2170 8.2170 9.1301 9.1301 9.1375 9.1375 13.3061 13.3061 13.3115 13.3115 14.0966 14.0966 14.1126 14.1126 15.9404 15.9404 16.0019 16.0019 k = 0.2963 0.5132 0.2912 ( 3108 PWs) bands (ev): -4.1393 -4.1393 -4.1393 -4.1393 2.4737 2.4737 2.4738 2.4738 3.2487 3.2487 3.2490 3.2490 5.0154 5.0154 5.0181 5.0181 5.6790 5.6790 5.7018 5.7018 5.8221 5.8221 5.8321 5.8321 6.3660 6.3660 6.3774 6.3774 6.6251 6.6251 6.6447 6.6447 6.7916 6.7916 6.7983 6.7983 7.3794 7.3794 7.4181 7.4181 7.4808 7.4808 7.4907 7.4907 7.9183 7.9183 7.9234 7.9234 8.2067 8.2067 8.2137 8.2137 9.1276 9.1276 9.1349 9.1349 13.2429 13.2429 13.2493 13.2493 14.1747 14.1747 14.1907 14.1907 15.8149 15.8149 15.8726 15.8726 k = 0.2901 0.5025 0.2912 ( 3112 PWs) bands (ev): -4.1471 -4.1471 -4.1471 -4.1471 2.4257 2.4257 2.4259 2.4259 3.3170 3.3170 3.3173 3.3173 5.0181 5.0181 5.0210 5.0210 5.6426 5.6426 5.6630 5.6630 5.8322 5.8322 5.8419 5.8419 6.4248 6.4248 6.4317 6.4317 6.6244 6.6244 6.6415 6.6415 6.7898 6.7898 6.7964 6.7964 7.3772 7.3772 7.4153 7.4153 7.4898 7.4898 7.4997 7.4997 7.9154 7.9154 7.9204 7.9204 8.2033 8.2033 8.2104 8.2104 9.1241 9.1241 9.1313 9.1313 13.1838 13.1838 13.1911 13.1911 14.2502 14.2502 14.2666 14.2666 15.6854 15.6854 15.7402 15.7402 k = 0.2840 0.4918 0.2912 ( 3112 PWs) bands (ev): -4.1563 -4.1563 -4.1563 -4.1563 2.3817 2.3817 2.3819 2.3819 3.3838 3.3838 3.3841 3.3841 5.0210 5.0210 5.0240 5.0240 5.6097 5.6097 5.6281 5.6281 5.8436 5.8436 5.8530 5.8530 6.4778 6.4778 6.4792 6.4792 6.6313 6.6313 6.6451 6.6451 6.7869 6.7869 6.7943 6.7943 7.3748 7.3748 7.4124 7.4124 7.4996 7.4996 7.5095 7.5095 7.9122 7.9122 7.9170 7.9170 8.1999 8.1999 8.2071 8.2071 9.1195 9.1195 9.1267 9.1267 13.1289 13.1289 13.1371 13.1371 14.3218 14.3218 14.3390 14.3390 15.5548 15.5548 15.6076 15.6076 k = 0.2778 0.4811 0.2912 ( 3108 PWs) bands (ev): -4.1670 -4.1670 -4.1670 -4.1670 2.3418 2.3418 2.3420 2.3420 3.4486 3.4486 3.4488 3.4488 5.0239 5.0239 5.0272 5.0272 5.5807 5.5807 5.5978 5.5978 5.8559 5.8559 5.8650 5.8650 6.5121 6.5121 6.5173 6.5173 6.6519 6.6519 6.6627 6.6627 6.7840 6.7840 6.7939 6.7939 7.3723 7.3723 7.4095 7.4095 7.5101 7.5101 7.5201 7.5201 7.9086 7.9086 7.9131 7.9131 8.1970 8.1970 8.2042 8.2042 9.1138 9.1138 9.1209 9.1209 13.0786 13.0786 13.0874 13.0874 14.3872 14.3872 14.4057 14.4057 15.4260 15.4260 15.4779 15.4779 k = 0.2716 0.4704 0.2912 ( 3104 PWs) bands (ev): -4.1792 -4.1792 -4.1792 -4.1792 2.3061 2.3061 2.3062 2.3062 3.5106 3.5106 3.5108 3.5108 5.0267 5.0267 5.0302 5.0302 5.5567 5.5567 5.5726 5.5726 5.8691 5.8691 5.8779 5.8779 6.5272 6.5272 6.5370 6.5370 6.6838 6.6838 6.6962 6.6962 6.7852 6.7852 6.8007 6.8007 7.3697 7.3697 7.4064 7.4064 7.5210 7.5210 7.5313 7.5313 7.9045 7.9045 7.9088 7.9088 8.1947 8.1947 8.2020 8.2020 9.1067 9.1067 9.1137 9.1137 13.0328 13.0328 13.0424 13.0424 14.4434 14.4434 14.4636 14.4636 15.3025 15.3025 15.3541 15.3541 k = 0.2654 0.4597 0.2912 ( 3104 PWs) bands (ev): -4.1928 -4.1928 -4.1928 -4.1928 2.2747 2.2747 2.2748 2.2748 3.5693 3.5693 3.5694 3.5694 5.0294 5.0294 5.0332 5.0332 5.5381 5.5381 5.5532 5.5532 5.8831 5.8831 5.8915 5.8915 6.5308 6.5308 6.5422 6.5422 6.7088 6.7088 6.7254 6.7254 6.8056 6.8056 6.8266 6.8266 7.3669 7.3669 7.4031 7.4031 7.5324 7.5324 7.5429 7.5429 7.9001 7.9001 7.9041 7.9041 8.1931 8.1931 8.2005 8.2005 9.0980 9.0980 9.1049 9.1049 12.9915 12.9915 13.0020 13.0020 14.4856 14.4856 14.5073 14.5073 15.1893 15.1893 15.2412 15.2412 k = 0.2593 0.4491 0.2912 ( 3108 PWs) bands (ev): -4.2080 -4.2080 -4.2080 -4.2080 2.2477 2.2477 2.2479 2.2479 3.6238 3.6238 3.6239 3.6239 5.0319 5.0319 5.0359 5.0359 5.5257 5.5257 5.5400 5.5400 5.8977 5.8977 5.9059 5.9059 6.5291 6.5291 6.5405 6.5405 6.7157 6.7157 6.7305 6.7305 6.8575 6.8575 6.8765 6.8765 7.3639 7.3639 7.3995 7.3995 7.5440 7.5440 7.5548 7.5548 7.8952 7.8952 7.8990 7.8990 8.1927 8.1927 8.2002 8.2002 9.0876 9.0876 9.0944 9.0944 12.9549 12.9549 12.9661 12.9661 14.5063 14.5063 14.5284 14.5284 15.0947 15.0947 15.1458 15.1458 k = 0.2531 0.4384 0.2912 ( 3114 PWs) bands (ev): -4.2246 -4.2246 -4.2246 -4.2246 2.2251 2.2251 2.2253 2.2253 3.6736 3.6736 3.6736 3.6736 5.0342 5.0342 5.0384 5.0384 5.5199 5.5199 5.5335 5.5335 5.9130 5.9130 5.9208 5.9208 6.5250 6.5250 6.5359 6.5359 6.7115 6.7115 6.7240 6.7240 6.9246 6.9246 6.9407 6.9407 7.3607 7.3607 7.3957 7.3957 7.5558 7.5558 7.5668 7.5668 7.8900 7.8900 7.8934 7.8934 8.1937 8.1937 8.2013 8.2013 9.0754 9.0754 9.0821 9.0821 12.9227 12.9227 12.9348 12.9348 14.4970 14.4970 14.5160 14.5160 15.0292 15.0292 15.0763 15.0763 k = 0.2469 0.4277 0.2912 ( 3118 PWs) bands (ev): -4.2426 -4.2426 -4.2426 -4.2426 2.2071 2.2071 2.2073 2.2073 3.7179 3.7179 3.7180 3.7180 5.0366 5.0366 5.0409 5.0409 5.5210 5.5210 5.5339 5.5339 5.9288 5.9288 5.9362 5.9362 6.5200 6.5200 6.5300 6.5300 6.7024 6.7024 6.7136 6.7136 6.9976 6.9976 7.0119 7.0119 7.3575 7.3575 7.3917 7.3917 7.5676 7.5676 7.5788 7.5788 7.8844 7.8844 7.8875 7.8875 8.1966 8.1966 8.2043 8.2043 9.0613 9.0613 9.0678 9.0678 12.8946 12.8946 12.9077 12.9077 14.4530 14.4530 14.4649 14.4649 14.9974 14.9974 15.0368 15.0368 k = 0.2407 0.4170 0.2912 ( 3118 PWs) bands (ev): -4.2621 -4.2621 -4.2621 -4.2621 2.1935 2.1935 2.1938 2.1938 3.7561 3.7561 3.7564 3.7564 5.0392 5.0392 5.0436 5.0436 5.5291 5.5291 5.5413 5.5413 5.9450 5.9450 5.9520 5.9520 6.5146 6.5146 6.5236 6.5236 6.6909 6.6909 6.7015 6.7015 7.0736 7.0736 7.0867 7.0867 7.3546 7.3546 7.3877 7.3877 7.5793 7.5793 7.5907 7.5907 7.8786 7.8786 7.8812 7.8812 8.2017 8.2017 8.2095 8.2095 9.0451 9.0451 9.0515 9.0515 12.8705 12.8705 12.8845 12.8845 14.3793 14.3793 14.3830 14.3830 14.9912 14.9912 15.0220 15.0220 k = 0.2346 0.4063 0.2912 ( 3122 PWs) bands (ev): -4.2829 -4.2829 -4.2828 -4.2828 2.1845 2.1845 2.1847 2.1847 3.7881 3.7881 3.7884 3.7884 5.0422 5.0422 5.0466 5.0466 5.5440 5.5440 5.5555 5.5555 5.9616 5.9616 5.9681 5.9681 6.5092 6.5092 6.5170 6.5170 6.6780 6.6780 6.6885 6.6885 7.1507 7.1507 7.1634 7.1634 7.3525 7.3525 7.3843 7.3843 7.5907 7.5907 7.6022 7.6022 7.8724 7.8724 7.8746 7.8746 8.2094 8.2094 8.2173 8.2173 9.0268 9.0268 9.0330 9.0330 12.8496 12.8496 12.8647 12.8647 14.2835 14.2835 14.2868 14.2868 14.9977 14.9977 15.0212 15.0212 k = 0.2284 0.3956 0.2912 ( 3122 PWs) bands (ev): -4.3049 -4.3049 -4.3049 -4.3049 2.1798 2.1798 2.1801 2.1801 3.8134 3.8134 3.8138 3.8138 5.0459 5.0459 5.0503 5.0503 5.5652 5.5652 5.5761 5.5761 5.9785 5.9785 5.9845 5.9845 6.5040 6.5040 6.5106 6.5106 6.6644 6.6644 6.6750 6.6750 7.2255 7.2255 7.2394 7.2394 7.3543 7.3543 7.3833 7.3833 7.6017 7.6017 7.6133 7.6133 7.8660 7.8660 7.8677 7.8677 8.2201 8.2201 8.2282 8.2282 9.0064 9.0064 9.0124 9.0124 12.8314 12.8314 12.8477 12.8477 14.1763 14.1763 14.1850 14.1850 15.0077 15.0077 15.0256 15.0256 k = 0.2222 0.3849 0.2912 ( 3126 PWs) bands (ev): -4.3282 -4.3282 -4.3282 -4.3282 2.1796 2.1796 2.1798 2.1798 3.8321 3.8321 3.8327 3.8327 5.0505 5.0505 5.0548 5.0548 5.5924 5.5924 5.6025 5.6025 5.9958 5.9958 6.0012 6.0012 6.4990 6.4990 6.5043 6.5043 6.6504 6.6504 6.6613 6.6613 7.2851 7.2851 7.3056 7.3056 7.3726 7.3726 7.3932 7.3932 7.6122 7.6122 7.6237 7.6237 7.8594 7.8594 7.8606 7.8606 8.2341 8.2341 8.2424 8.2424 8.9839 8.9839 8.9897 8.9897 12.8149 12.8149 12.8325 12.8325 14.0673 14.0673 14.0803 14.0803 15.0163 15.0163 15.0300 15.0300 k = 0.2160 0.3742 0.2912 ( 3122 PWs) bands (ev): -4.3526 -4.3526 -4.3526 -4.3526 2.1836 2.1836 2.1838 2.1838 3.8444 3.8444 3.8451 3.8451 5.0559 5.0559 5.0602 5.0602 5.6247 5.6247 5.6341 5.6341 6.0133 6.0133 6.0181 6.0181 6.4943 6.4943 6.4982 6.4982 6.6364 6.6364 6.6477 6.6477 7.3070 7.3070 7.3361 7.3361 7.4295 7.4295 7.4398 7.4398 7.6224 7.6224 7.6336 7.6336 7.8527 7.8527 7.8534 7.8534 8.2521 8.2521 8.2606 8.2606 8.9594 8.9594 8.9649 8.9649 12.7988 12.7988 12.8178 12.8178 13.9606 13.9606 13.9770 13.9770 15.0216 15.0216 15.0320 15.0320 k = 0.2099 0.3635 0.2912 ( 3114 PWs) bands (ev): -4.3780 -4.3780 -4.3780 -4.3780 2.1918 2.1918 2.1921 2.1921 3.8506 3.8506 3.8515 3.8515 5.0623 5.0623 5.0664 5.0664 5.6614 5.6614 5.6699 5.6699 6.0310 6.0310 6.0352 6.0352 6.4901 6.4901 6.4925 6.4925 6.6226 6.6226 6.6344 6.6344 7.3087 7.3087 7.3390 7.3390 7.5074 7.5074 7.5138 7.5138 7.6326 7.6326 7.6427 7.6427 7.8463 7.8463 7.8463 7.8463 8.2743 8.2743 8.2830 8.2830 8.9329 8.9329 8.9382 8.9382 12.7816 12.7816 12.8020 12.8020 13.8590 13.8590 13.8783 13.8783 15.0229 15.0229 15.0308 15.0308 k = 0.2037 0.3528 0.2912 ( 3106 PWs) bands (ev): -4.4044 -4.4044 -4.4044 -4.4044 2.2041 2.2041 2.2044 2.2044 3.8514 3.8514 3.8523 3.8523 5.0694 5.0694 5.0733 5.0733 5.7015 5.7015 5.7092 5.7092 6.0489 6.0489 6.0524 6.0524 6.4860 6.4860 6.4869 6.4869 6.6091 6.6091 6.6217 6.6217 7.3051 7.3051 7.3350 7.3350 7.5905 7.5905 7.5905 7.5905 7.6465 7.6465 7.6512 7.6512 7.8397 7.8397 7.8404 7.8404 8.3011 8.3011 8.3101 8.3101 8.9046 8.9046 8.9095 8.9095 12.7613 12.7613 12.7830 12.7830 13.7653 13.7653 13.7871 13.7871 15.0205 15.0205 15.0262 15.0262 k = 0.1975 0.3421 0.2912 ( 3102 PWs) bands (ev): -4.4315 -4.4315 -4.4315 -4.4315 2.2204 2.2204 2.2207 2.2207 3.8473 3.8473 3.8483 3.8483 5.0771 5.0771 5.0808 5.0808 5.7438 5.7438 5.7506 5.7506 6.0670 6.0670 6.0696 6.0696 6.4816 6.4816 6.4823 6.4823 6.5963 6.5963 6.6097 6.6097 7.2996 7.2996 7.3288 7.3288 7.6345 7.6345 7.6567 7.6567 7.6761 7.6761 7.6929 7.6929 7.8352 7.8352 7.8368 7.8368 8.3326 8.3326 8.3420 8.3420 8.8749 8.8749 8.8793 8.8793 12.7357 12.7357 12.7584 12.7584 13.6822 13.6822 13.7060 13.7060 15.0147 15.0147 15.0186 15.0186 k = 0.1914 0.3314 0.2912 ( 3118 PWs) bands (ev): -4.4594 -4.4594 -4.4594 -4.4594 2.2404 2.2404 2.2407 2.2407 3.8388 3.8388 3.8399 3.8399 5.0852 5.0852 5.0887 5.0887 5.7875 5.7875 5.7933 5.7933 6.0852 6.0852 6.0870 6.0870 6.4765 6.4765 6.4788 6.4788 6.5842 6.5842 6.5985 6.5985 7.2931 7.2931 7.3214 7.3214 7.6460 7.6460 7.6646 7.6646 7.7500 7.7500 7.7611 7.7611 7.8404 7.8404 7.8443 7.8443 8.3689 8.3689 8.3789 8.3789 8.8441 8.8441 8.8478 8.8478 12.7025 12.7025 12.7257 12.7257 13.6124 13.6124 13.6375 13.6375 15.0063 15.0063 15.0086 15.0086 k = 0.1852 0.3208 0.2912 ( 3122 PWs) bands (ev): -4.4879 -4.4879 -4.4879 -4.4879 2.2640 2.2640 2.2643 2.2643 3.8268 3.8268 3.8280 3.8280 5.0936 5.0936 5.0969 5.0969 5.8315 5.8315 5.8363 5.8363 6.1036 6.1036 6.1045 6.1045 6.4717 6.4717 6.4755 6.4755 6.5732 6.5732 6.5883 6.5883 7.2859 7.2859 7.3133 7.3133 7.6529 7.6529 7.6707 7.6707 7.7855 7.7855 7.7915 7.7915 7.8862 7.8862 7.8948 7.8948 8.4099 8.4099 8.4210 8.4210 8.8131 8.8131 8.8158 8.8158 12.6597 12.6597 12.6827 12.6827 13.5579 13.5579 13.5835 13.5835 14.9959 14.9959 14.9968 14.9968 k = 0.1790 0.3101 0.2912 ( 3118 PWs) bands (ev): -4.5168 -4.5168 -4.5168 -4.5168 2.2911 2.2911 2.2914 2.2914 3.8119 3.8119 3.8130 3.8130 5.1021 5.1021 5.1052 5.1052 5.8750 5.8750 5.8786 5.8786 6.1222 6.1222 6.1223 6.1223 6.4673 6.4673 6.4725 6.4725 6.5633 6.5633 6.5793 6.5793 7.2784 7.2784 7.3049 7.3049 7.6583 7.6583 7.6761 7.6761 7.7870 7.7870 7.7924 7.7924 7.9664 7.9664 7.9764 7.9764 8.4548 8.4548 8.4678 8.4678 8.7833 8.7833 8.7843 8.7843 12.6066 12.6066 12.6286 12.6286 13.5194 13.5194 13.5446 13.5446 14.9836 14.9836 14.9841 14.9841 k = 0.1728 0.2994 0.2912 ( 3110 PWs) bands (ev): -4.5461 -4.5461 -4.5461 -4.5461 2.3214 2.3214 2.3217 2.3217 3.7945 3.7945 3.7957 3.7957 5.1106 5.1106 5.1134 5.1134 5.9170 5.9170 5.9195 5.9195 6.1403 6.1403 6.1413 6.1413 6.4632 6.4632 6.4695 6.4695 6.5547 6.5547 6.5714 6.5714 7.2705 7.2705 7.2960 7.2960 7.6627 7.6627 7.6809 7.6809 7.7811 7.7811 7.7873 7.7873 8.0537 8.0537 8.0644 8.0644 8.5014 8.5014 8.5177 8.5177 8.7557 8.7557 8.7577 8.7577 12.5433 12.5433 12.5637 12.5637 13.4963 13.4963 13.5205 13.5205 14.9697 14.9697 14.9714 14.9714 k = 0.1667 0.2887 0.2912 ( 3114 PWs) bands (ev): -4.5756 -4.5756 -4.5756 -4.5756 2.3548 2.3548 2.3551 2.3551 3.7752 3.7752 3.7764 3.7764 5.1188 5.1188 5.1214 5.1214 5.9568 5.9568 5.9580 5.9580 6.1586 6.1586 6.1605 6.1605 6.4596 6.4596 6.4667 6.4667 6.5475 6.5475 6.5647 6.5647 7.2624 7.2624 7.2869 7.2869 7.6662 7.6662 7.6852 7.6852 7.7733 7.7733 7.7808 7.7808 8.1415 8.1415 8.1531 8.1531 8.5433 8.5433 8.5659 8.5659 8.7360 8.7360 8.7434 8.7434 12.4712 12.4712 12.4896 12.4896 13.4867 13.4867 13.5096 13.5096 14.9554 14.9554 14.9583 14.9583 k = 0.1605 0.2780 0.2912 ( 3104 PWs) bands (ev): -4.6052 -4.6052 -4.6052 -4.6052 2.3911 2.3911 2.3914 2.3914 3.7545 3.7545 3.7557 3.7557 5.1266 5.1266 5.1291 5.1291 5.9935 5.9935 5.9937 5.9937 6.1774 6.1774 6.1799 6.1799 6.4566 6.4566 6.4640 6.4640 6.5418 6.5418 6.5592 6.5592 7.2541 7.2541 7.2776 7.2776 7.6690 7.6690 7.6890 7.6890 7.7648 7.7648 7.7739 7.7739 8.2263 8.2263 8.2396 8.2396 8.5696 8.5696 8.5996 8.5996 8.7409 8.7409 8.7542 8.7542 12.3922 12.3922 12.4084 12.4084 13.4882 13.4882 13.5095 13.5095 14.9412 14.9412 14.9453 14.9453 k = 0.1543 0.2673 0.2912 ( 3098 PWs) bands (ev): -4.6347 -4.6347 -4.6347 -4.6347 2.4298 2.4298 2.4302 2.4302 3.7327 3.7327 3.7339 3.7339 5.1341 5.1341 5.1363 5.1363 6.0260 6.0260 6.0269 6.0269 6.1966 6.1966 6.1995 6.1995 6.4542 6.4542 6.4615 6.4615 6.5376 6.5376 6.5548 6.5548 7.2456 7.2456 7.2681 7.2681 7.6709 7.6709 7.6922 7.6922 7.7562 7.7562 7.7673 7.7673 8.3017 8.3017 8.3175 8.3175 8.5781 8.5781 8.6111 8.6111 8.7836 8.7836 8.7975 8.7975 12.3082 12.3082 12.3224 12.3224 13.4981 13.4981 13.5179 13.5179 14.9274 14.9274 14.9328 14.9328 k = 0.1481 0.2566 0.2912 ( 3098 PWs) bands (ev): -4.6641 -4.6641 -4.6641 -4.6641 2.4710 2.4710 2.4714 2.4714 3.7103 3.7103 3.7114 3.7114 5.1409 5.1409 5.1429 5.1429 6.0549 6.0549 6.0566 6.0566 6.2160 6.2160 6.2188 6.2188 6.4525 6.4525 6.4592 6.4592 6.5347 6.5347 6.5515 6.5515 7.2371 7.2371 7.2585 7.2585 7.6719 7.6719 7.6947 7.6947 7.7478 7.7478 7.7610 7.7610 8.3556 8.3556 8.3725 8.3725 8.5926 8.5926 8.6249 8.6249 8.8515 8.8515 8.8639 8.8639 12.2212 12.2212 12.2333 12.2333 13.5141 13.5141 13.5327 13.5327 14.9143 14.9143 14.9210 14.9210 k = 0.1420 0.2459 0.2912 ( 3098 PWs) bands (ev): -4.6933 -4.6933 -4.6933 -4.6933 2.5143 2.5143 2.5146 2.5146 3.6874 3.6874 3.6885 3.6885 5.1472 5.1472 5.1490 5.1490 6.0805 6.0805 6.0827 6.0827 6.2355 6.2355 6.2378 6.2378 6.4517 6.4517 6.4572 6.4572 6.5331 6.5331 6.5492 6.5492 7.2286 7.2286 7.2489 7.2489 7.6718 7.6718 7.6960 7.6960 7.7403 7.7403 7.7555 7.7555 8.3745 8.3745 8.3874 8.3874 8.6396 8.6396 8.6667 8.6667 8.9323 8.9323 8.9437 8.9437 12.1325 12.1325 12.1429 12.1429 13.5344 13.5344 13.5518 13.5518 14.9021 14.9021 14.9102 14.9102 k = 0.1358 0.2352 0.2912 ( 3102 PWs) bands (ev): -4.7220 -4.7220 -4.7220 -4.7220 2.5593 2.5593 2.5597 2.5597 3.6644 3.6644 3.6655 3.6655 5.1528 5.1528 5.1545 5.1545 6.1030 6.1030 6.1054 6.1054 6.2548 6.2548 6.2561 6.2561 6.4517 6.4517 6.4557 6.4557 6.5326 6.5326 6.5477 6.5477 7.2200 7.2200 7.2392 7.2392 7.6704 7.6704 7.6956 7.6956 7.7342 7.7342 7.7509 7.7509 8.3626 8.3626 8.3703 8.3703 8.7156 8.7156 8.7369 8.7369 9.0213 9.0213 9.0322 9.0322 12.0433 12.0433 12.0521 12.0521 13.5571 13.5571 13.5737 13.5737 14.8911 14.8911 14.9007 14.9007 k = 0.1296 0.2245 0.2912 ( 3106 PWs) bands (ev): -4.7503 -4.7503 -4.7503 -4.7503 2.6060 2.6060 2.6064 2.6064 3.6415 3.6415 3.6425 3.6425 5.1578 5.1578 5.1592 5.1592 6.1226 6.1226 6.1250 6.1250 6.2734 6.2734 6.2734 6.2734 6.4525 6.4525 6.4547 6.4547 6.5330 6.5330 6.5471 6.5471 7.2116 7.2116 7.2296 7.2296 7.6678 7.6678 7.6927 7.6927 7.7303 7.7303 7.7475 7.7475 8.3337 8.3337 8.3380 8.3380 8.8054 8.8054 8.8230 8.8230 9.1165 9.1165 9.1275 9.1275 11.9547 11.9547 11.9621 11.9621 13.5811 13.5811 13.5970 13.5970 14.8813 14.8813 14.8927 14.8927 k = 0.1235 0.2138 0.2912 ( 3104 PWs) bands (ev): -4.7780 -4.7780 -4.7780 -4.7780 2.6540 2.6540 2.6544 2.6544 3.6188 3.6188 3.6198 3.6198 5.1621 5.1621 5.1633 5.1633 6.1399 6.1399 6.1421 6.1421 6.2895 6.2895 6.2911 6.2911 6.4541 6.4541 6.4544 6.4544 6.5342 6.5342 6.5472 6.5472 7.2033 7.2033 7.2201 7.2201 7.6638 7.6638 7.6872 7.6872 7.7290 7.7290 7.7452 7.7452 8.2967 8.2967 8.2991 8.2991 8.9015 8.9015 8.9170 8.9170 9.2169 9.2169 9.2280 9.2280 11.8675 11.8675 11.8735 11.8735 13.6050 13.6050 13.6204 13.6204 14.8727 14.8727 14.8862 14.8862 k = 0.1173 0.2031 0.2912 ( 3104 PWs) bands (ev): -4.8050 -4.8050 -4.8050 -4.8050 2.7030 2.7030 2.7034 2.7034 3.5965 3.5965 3.5974 3.5974 5.1657 5.1657 5.1668 5.1668 6.1550 6.1550 6.1570 6.1570 6.3044 6.3044 6.3076 6.3076 6.4547 6.4547 6.4564 6.4564 6.5362 6.5362 6.5479 6.5479 7.1953 7.1953 7.2109 7.2109 7.6588 7.6588 7.6799 7.6799 7.7293 7.7293 7.7439 7.7439 8.2556 8.2556 8.2568 8.2568 9.0007 9.0007 9.0150 9.0150 9.3215 9.3215 9.3330 9.3330 11.7821 11.7821 11.7869 11.7869 13.6280 13.6280 13.6429 13.6429 14.8653 14.8653 14.8814 14.8814 k = 0.1111 0.1925 0.2912 ( 3096 PWs) bands (ev): -4.8311 -4.8311 -4.8311 -4.8311 2.7527 2.7527 2.7531 2.7531 3.5748 3.5748 3.5757 3.5757 5.1686 5.1686 5.1695 5.1695 6.1683 6.1683 6.1701 6.1701 6.3181 6.3181 6.3228 6.3228 6.4558 6.4558 6.4591 6.4591 6.5387 6.5387 6.5493 6.5493 7.1876 7.1876 7.2019 7.2019 7.6528 7.6528 7.6716 7.6716 7.7306 7.7306 7.7435 7.7435 8.2124 8.2124 8.2129 8.2129 9.1018 9.1018 9.1152 9.1152 9.4298 9.4298 9.4415 9.4415 11.6992 11.6992 11.7029 11.7029 13.6491 13.6491 13.6637 13.6637 14.8588 14.8588 14.8781 14.8781 k = 0.1049 0.1818 0.2912 ( 3096 PWs) bands (ev): -4.8564 -4.8564 -4.8564 -4.8564 2.8027 2.8027 2.8031 2.8031 3.5538 3.5538 3.5547 3.5547 5.1708 5.1708 5.1716 5.1716 6.1799 6.1799 6.1814 6.1814 6.3306 6.3306 6.3364 6.3364 6.4574 6.4574 6.4622 6.4622 6.5416 6.5416 6.5511 6.5511 7.1802 7.1802 7.1933 7.1933 7.6461 7.6461 7.6626 7.6626 7.7322 7.7322 7.7435 7.7435 8.1683 8.1683 8.1683 8.1683 9.2039 9.2039 9.2167 9.2167 9.5409 9.5409 9.5529 9.5529 11.6192 11.6192 11.6219 11.6219 13.6676 13.6676 13.6820 13.6820 14.8521 14.8521 14.8759 14.8759 k = 0.0988 0.1711 0.2912 ( 3096 PWs) bands (ev): -4.8807 -4.8807 -4.8807 -4.8807 2.8528 2.8528 2.8532 2.8532 3.5336 3.5336 3.5344 3.5344 5.1724 5.1724 5.1731 5.1731 6.1900 6.1900 6.1914 6.1914 6.3420 6.3420 6.3487 6.3487 6.4597 6.4597 6.4655 6.4655 6.5448 6.5448 6.5533 6.5533 7.1733 7.1733 7.1851 7.1851 7.6389 7.6389 7.6534 7.6534 7.7339 7.7339 7.7438 7.7438 8.1236 8.1236 8.1239 8.1239 9.3065 9.3065 9.3187 9.3187 9.6542 9.6542 9.6663 9.6663 11.5425 11.5425 11.5443 11.5443 13.6830 13.6830 13.6972 13.6972 14.8433 14.8433 14.8739 14.8739 k = 0.0926 0.1604 0.2912 ( 3096 PWs) bands (ev): -4.9039 -4.9039 -4.9039 -4.9039 2.9025 2.9025 2.9030 2.9030 3.5143 3.5143 3.5151 3.5151 5.1734 5.1734 5.1740 5.1740 6.1988 6.1988 6.2000 6.2000 6.3525 6.3525 6.3597 6.3597 6.4624 6.4624 6.4688 6.4688 6.5484 6.5484 6.5559 6.5559 7.1668 7.1668 7.1774 7.1774 7.6314 7.6314 7.6442 7.6442 7.7353 7.7353 7.7441 7.7441 8.0794 8.0794 8.0800 8.0800 9.4090 9.4090 9.4206 9.4206 9.7688 9.7688 9.7811 9.7811 11.4695 11.4695 11.4703 11.4703 13.6949 13.6949 13.7088 13.7088 14.8274 14.8274 14.8694 14.8694 k = 0.0864 0.1497 0.2912 ( 3092 PWs) bands (ev): -4.9260 -4.9260 -4.9260 -4.9260 2.9517 2.9517 2.9521 2.9521 3.4960 3.4960 3.4967 3.4967 5.1740 5.1740 5.1744 5.1744 6.2064 6.2064 6.2075 6.2075 6.3622 6.3622 6.3693 6.3693 6.4655 6.4655 6.4720 6.4720 6.5523 6.5523 6.5589 6.5589 7.1610 7.1610 7.1704 7.1704 7.6237 7.6237 7.6350 7.6350 7.7362 7.7362 7.7442 7.7442 8.0363 8.0363 8.0372 8.0372 9.5109 9.5109 9.5220 9.5220 9.8839 9.8839 9.8962 9.8962 11.4003 11.4003 11.4004 11.4004 13.7029 13.7029 13.7166 13.7166 14.7912 14.7912 14.8492 14.8492 k = 0.0802 0.1390 0.2912 ( 3096 PWs) bands (ev): -4.9469 -4.9469 -4.9469 -4.9469 2.9998 2.9998 3.0002 3.0002 3.4787 3.4787 3.4793 3.4793 5.1740 5.1740 5.1744 5.1744 6.2129 6.2129 6.2139 6.2139 6.3711 6.3711 6.3778 6.3778 6.4689 6.4689 6.4751 6.4751 6.5564 6.5564 6.5621 6.5621 7.1559 7.1559 7.1640 7.1640 7.6160 7.6160 7.6259 7.6259 7.7362 7.7362 7.7435 7.7435 7.9948 7.9948 7.9959 7.9959 9.6117 9.6117 9.6221 9.6221 9.9987 9.9987 10.0110 10.0110 11.3346 11.3346 11.3356 11.3356 13.7071 13.7071 13.7205 13.7205 14.7147 14.7147 14.7698 14.7698 k = 0.0741 0.1283 0.2912 ( 3096 PWs) bands (ev): -4.9665 -4.9665 -4.9665 -4.9665 3.0465 3.0465 3.0469 3.0469 3.4625 3.4625 3.4632 3.4632 5.1737 5.1737 5.1740 5.1740 6.2184 6.2184 6.2193 6.2193 6.3793 6.3793 6.3853 6.3853 6.4724 6.4724 6.4780 6.4780 6.5607 6.5607 6.5655 6.5655 7.1515 7.1515 7.1584 7.1584 7.6083 7.6083 7.6170 7.6170 7.7350 7.7350 7.7418 7.7418 7.9556 7.9556 7.9569 7.9569 9.7108 9.7108 9.7204 9.7204 10.1123 10.1123 10.1245 10.1245 11.2736 11.2736 11.2753 11.2753 13.7073 13.7073 13.7203 13.7203 14.6026 14.6026 14.6412 14.6412 k = 0.0679 0.1176 0.2912 ( 3096 PWs) bands (ev): -4.9847 -4.9847 -4.9847 -4.9847 3.0914 3.0914 3.0918 3.0918 3.4475 3.4475 3.4481 3.4481 5.1730 5.1730 5.1732 5.1732 6.2231 6.2231 6.2239 6.2239 6.3867 6.3867 6.3919 6.3919 6.4759 6.4759 6.4807 6.4807 6.5650 6.5650 6.5691 6.5691 7.1480 7.1480 7.1538 7.1538 7.6007 7.6007 7.6082 7.6082 7.7321 7.7321 7.7384 7.7384 7.9196 7.9196 7.9211 7.9211 9.8075 9.8075 9.8163 9.8163 10.2236 10.2236 10.2356 10.2356 11.2174 11.2174 11.2200 11.2200 13.7037 13.7037 13.7162 13.7162 14.4769 14.4769 14.5050 14.5050 k = 0.0617 0.1069 0.2912 ( 3100 PWs) bands (ev): -5.0016 -5.0016 -5.0016 -5.0016 3.1341 3.1341 3.1344 3.1344 3.4337 3.4337 3.4342 3.4342 5.1721 5.1721 5.1723 5.1723 6.2269 6.2269 6.2276 6.2276 6.3934 6.3934 6.3976 6.3976 6.4793 6.4793 6.4832 6.4832 6.5695 6.5695 6.5727 6.5727 7.1454 7.1454 7.1500 7.1500 7.5932 7.5932 7.5997 7.5997 7.7267 7.7267 7.7325 7.7325 7.8879 7.8879 7.8895 7.8895 9.9010 9.9010 9.9089 9.9089 10.3314 10.3314 10.3432 10.3432 11.1666 11.1666 11.1700 11.1700 13.6966 13.6966 13.7085 13.7085 14.3499 14.3499 14.3717 14.3717 k = 0.0556 0.0962 0.2912 ( 3098 PWs) bands (ev): -5.0170 -5.0170 -5.0170 -5.0170 3.1742 3.1742 3.1745 3.1745 3.4212 3.4212 3.4216 3.4216 5.1710 5.1710 5.1711 5.1711 6.2300 6.2300 6.2306 6.2306 6.3993 6.3993 6.4025 6.4025 6.4825 6.4825 6.4855 6.4855 6.5740 6.5740 6.5765 6.5765 7.1436 7.1436 7.1473 7.1473 7.5859 7.5859 7.5913 7.5913 7.7181 7.7181 7.7233 7.7233 7.8618 7.8618 7.8634 7.8634 9.9904 9.9904 9.9974 9.9974 10.4347 10.4347 10.4461 10.4461 11.1213 11.1213 11.1255 11.1255 13.6863 13.6863 13.6975 13.6975 14.2269 14.2269 14.2445 14.2445 k = 0.0494 0.0855 0.2912 ( 3102 PWs) bands (ev): -5.0309 -5.0309 -5.0309 -5.0309 3.2113 3.2113 3.2116 3.2116 3.4099 3.4099 3.4103 3.4103 5.1698 5.1698 5.1698 5.1698 6.2324 6.2324 6.2329 6.2329 6.4044 6.4044 6.4067 6.4067 6.4855 6.4855 6.4876 6.4876 6.5783 6.5783 6.5803 6.5803 7.1428 7.1428 7.1456 7.1456 7.5786 7.5786 7.5830 7.5830 7.7060 7.7060 7.7104 7.7104 7.8420 7.8420 7.8433 7.8433 10.0747 10.0747 10.0806 10.0806 10.5319 10.5319 10.5428 10.5428 11.0822 11.0822 11.0870 11.0870 13.6733 13.6733 13.6836 13.6836 14.1108 14.1108 14.1251 14.1251 k = 0.0432 0.0748 0.2912 ( 3094 PWs) bands (ev): -5.0432 -5.0432 -5.0432 -5.0432 3.2451 3.2451 3.2454 3.2454 3.4001 3.4001 3.4004 3.4004 5.1685 5.1685 5.1686 5.1686 6.2343 6.2343 6.2347 6.2347 6.4087 6.4087 6.4103 6.4103 6.4881 6.4881 6.4896 6.4896 6.5825 6.5825 6.5839 6.5839 7.1428 7.1428 7.1448 7.1448 7.5714 7.5714 7.5748 7.5748 7.6910 7.6910 7.6944 7.6944 7.8284 7.8284 7.8294 7.8294 10.1528 10.1528 10.1575 10.1575 10.6216 10.6216 10.6318 10.6318 11.0497 11.0497 11.0551 11.0551 13.6580 13.6580 13.6672 13.6672 14.0035 14.0035 14.0153 14.0153 k = 0.0370 0.0642 0.2912 ( 3094 PWs) bands (ev): -5.0540 -5.0540 -5.0540 -5.0540 3.2749 3.2749 3.2752 3.2752 3.3917 3.3917 3.3920 3.3920 5.1673 5.1673 5.1673 5.1673 6.2357 6.2357 6.2360 6.2360 6.4123 6.4123 6.4132 6.4132 6.4904 6.4904 6.4913 6.4913 6.5864 6.5864 6.5873 6.5873 7.1436 7.1436 7.1449 7.1449 7.5640 7.5640 7.5665 7.5665 7.6748 7.6748 7.6773 7.6773 7.8196 7.8196 7.8202 7.8202 10.2231 10.2231 10.2267 10.2267 10.7018 10.7018 10.7111 10.7111 11.0247 11.0247 11.0304 11.0304 13.6410 13.6410 13.6489 13.6489 13.9073 13.9073 13.9167 13.9167 k = 0.0309 0.0535 0.2912 ( 3096 PWs) bands (ev): -5.0632 -5.0632 -5.0632 -5.0632 3.3005 3.3005 3.3007 3.3007 3.3850 3.3850 3.3852 3.3852 5.1661 5.1661 5.1661 5.1661 6.2367 6.2367 6.2369 6.2369 6.4151 6.4151 6.4156 6.4156 6.4923 6.4923 6.4928 6.4928 6.5899 6.5899 6.5905 6.5905 7.1448 7.1448 7.1457 7.1457 7.5566 7.5566 7.5583 7.5583 7.6592 7.6592 7.6607 7.6607 7.8140 7.8140 7.8144 7.8144 10.2845 10.2845 10.2870 10.2870 10.7702 10.7702 10.7781 10.7781 11.0084 11.0084 11.0138 11.0138 13.6225 13.6225 13.6288 13.6288 13.8242 13.8242 13.8314 13.8314 k = 0.0247 0.0428 0.2912 ( 3104 PWs) bands (ev): -5.0707 -5.0707 -5.0707 -5.0707 3.3211 3.3211 3.3213 3.3213 3.3802 3.3802 3.3804 3.3804 5.1651 5.1651 5.1651 5.1651 6.2373 6.2373 6.2374 6.2374 6.4171 6.4171 6.4174 6.4174 6.4938 6.4938 6.4941 6.4941 6.5928 6.5928 6.5931 6.5931 7.1464 7.1464 7.1469 7.1469 7.5493 7.5493 7.5502 7.5502 7.6455 7.6455 7.6464 7.6464 7.8105 7.8105 7.8107 7.8107 10.3358 10.3358 10.3373 10.3373 10.8240 10.8240 10.8298 10.8298 11.0021 11.0021 11.0064 11.0064 13.6028 13.6028 13.6071 13.6071 13.7569 13.7569 13.7616 13.7616 k = 0.0185 0.0321 0.2912 ( 3108 PWs) bands (ev): -5.0766 -5.0766 -5.0766 -5.0766 3.3362 3.3362 3.3363 3.3363 3.3777 3.3777 3.3778 3.3778 5.1642 5.1642 5.1642 5.1642 6.2378 6.2378 6.2378 6.2378 6.4187 6.4187 6.4188 6.4188 6.4950 6.4950 6.4951 6.4951 6.5952 6.5952 6.5953 6.5953 7.1481 7.1481 7.1483 7.1483 7.5425 7.5425 7.5429 7.5429 7.6348 7.6348 7.6352 7.6352 7.8084 7.8084 7.8084 7.8084 10.3761 10.3761 10.3767 10.3767 10.8608 10.8608 10.8641 10.8641 11.0064 11.0064 11.0089 11.0089 13.5820 13.5820 13.5843 13.5843 13.7071 13.7071 13.7096 13.7096 k = 0.0123 0.0214 0.2912 ( 3108 PWs) bands (ev): -5.0809 -5.0809 -5.0809 -5.0809 3.3453 3.3453 3.3453 3.3453 3.3778 3.3778 3.3779 3.3779 5.1636 5.1636 5.1636 5.1636 6.2380 6.2380 6.2381 6.2381 6.4198 6.4198 6.4198 6.4198 6.4959 6.4959 6.4959 6.4959 6.5969 6.5969 6.5970 6.5970 7.1496 7.1496 7.1496 7.1496 7.5368 7.5368 7.5370 7.5370 7.6272 7.6272 7.6273 7.6273 7.8071 7.8071 7.8071 7.8071 10.4047 10.4047 10.4050 10.4050 10.8816 10.8816 10.8826 10.8826 11.0175 11.0175 11.0183 11.0183 13.5621 13.5621 13.5628 13.5628 13.6748 13.6748 13.6757 13.6757 k = 0.0062 0.0107 0.2912 ( 3112 PWs) bands (ev): -5.0834 -5.0834 -5.0834 -5.0834 3.3493 3.3493 3.3493 3.3493 3.3794 3.3794 3.3794 3.3794 5.1632 5.1632 5.1632 5.1632 6.2382 6.2382 6.2382 6.2382 6.4204 6.4204 6.4204 6.4204 6.4963 6.4963 6.4963 6.4963 6.5979 6.5979 6.5979 6.5979 7.1505 7.1505 7.1505 7.1505 7.5331 7.5331 7.5331 7.5331 7.6227 7.6227 7.6227 7.6227 7.8064 7.8064 7.8064 7.8064 10.4218 10.4218 10.4219 10.4219 10.8909 10.8909 10.8911 10.8911 11.0278 11.0278 11.0279 11.0279 13.5472 13.5472 13.5473 13.5473 13.6573 13.6573 13.6574 13.6574 k = 0.0000 0.0000 0.2912 ( 3112 PWs) bands (ev): -5.0842 -5.0842 -5.0842 -5.0842 3.3503 3.3503 3.3503 3.3503 3.3803 3.3803 3.3803 3.3803 5.1631 5.1631 5.1631 5.1631 6.2382 6.2382 6.2382 6.2382 6.4206 6.4206 6.4206 6.4206 6.4965 6.4965 6.4965 6.4965 6.5983 6.5983 6.5983 6.5983 7.1509 7.1509 7.1509 7.1509 7.5317 7.5317 7.5317 7.5317 7.6212 7.6212 7.6212 7.6212 7.8062 7.8062 7.8062 7.8062 10.4275 10.4275 10.4275 10.4275 10.8935 10.8935 10.8935 10.8935 11.0318 11.0318 11.0318 11.0318 13.5416 13.5416 13.5416 13.5416 13.6518 13.6518 13.6518 13.6518 k = 0.5000 0.2887 0.2912 ( 3104 PWs) bands (ev): -4.2126 -4.2126 -4.2126 -4.2126 1.8195 1.8195 1.8195 1.8195 4.1336 4.1336 4.1336 4.1336 4.9963 4.9963 4.9963 4.9963 5.2635 5.2635 5.2635 5.2635 6.1651 6.1651 6.1651 6.1651 6.6907 6.6907 6.6907 6.6907 6.9482 6.9482 6.9482 6.9482 7.3687 7.3687 7.3687 7.3687 7.4471 7.4471 7.4471 7.4471 7.5483 7.5483 7.5483 7.5483 7.7906 7.7906 7.7906 7.7906 7.8758 7.8758 7.8758 7.8758 9.0963 9.0963 9.0963 9.0963 11.8500 11.8500 11.8500 11.8500 13.0545 13.0545 13.0545 13.0545 16.4382 16.4382 16.4382 16.4382 k = 0.5000 0.2887 0.2790 ( 3098 PWs) bands (ev): -4.2175 -4.2175 -4.2078 -4.2078 1.8093 1.8093 1.8302 1.8302 4.1267 4.1267 4.1404 4.1404 4.9795 4.9795 5.0128 5.0128 5.2585 5.2585 5.2687 5.2687 6.1556 6.1556 6.1747 6.1747 6.6822 6.6822 6.6990 6.6990 6.9358 6.9358 6.9604 6.9604 7.3618 7.3618 7.3751 7.3751 7.4450 7.4450 7.4494 7.4494 7.5470 7.5470 7.5510 7.5510 7.7903 7.7903 7.7910 7.7910 7.8753 7.8753 7.8764 7.8764 9.0853 9.0853 9.1047 9.1047 11.8203 11.8203 11.8768 11.8768 13.0560 13.0560 13.0619 13.0619 16.3577 16.3577 16.5182 16.5182 k = 0.5000 0.2887 0.2669 ( 3098 PWs) bands (ev): -4.2224 -4.2224 -4.2030 -4.2030 1.7996 1.7996 1.8413 1.8413 4.1200 4.1200 4.1473 4.1473 4.9623 4.9623 5.0288 5.0288 5.2535 5.2535 5.2739 5.2739 6.1464 6.1464 6.1846 6.1846 6.6735 6.6735 6.7070 6.7070 6.9231 6.9231 6.9721 6.9721 7.3546 7.3546 7.3805 7.3805 7.4433 7.4433 7.4518 7.4518 7.5471 7.5471 7.5548 7.5548 7.7901 7.7901 7.7916 7.7916 7.8747 7.8747 7.8769 7.8769 9.0718 9.0718 9.1103 9.1103 11.7893 11.7893 11.8989 11.8989 13.0683 13.0683 13.0760 13.0760 16.2788 16.2788 16.5957 16.5957 k = 0.5000 0.2887 0.2548 ( 3102 PWs) bands (ev): -4.2272 -4.2272 -4.1982 -4.1982 1.7904 1.7904 1.8527 1.8527 4.1133 4.1133 4.1542 4.1542 4.9448 4.9448 5.0442 5.0442 5.2486 5.2486 5.2790 5.2790 6.1373 6.1373 6.1945 6.1945 6.6646 6.6646 6.7147 6.7147 6.9101 6.9101 6.9833 6.9833 7.3472 7.3472 7.3847 7.3847 7.4421 7.4421 7.4542 7.4542 7.5487 7.5487 7.5598 7.5598 7.7900 7.7900 7.7922 7.7922 7.8742 7.8742 7.8774 7.8774 9.0561 9.0561 9.1130 9.1130 11.7586 11.7586 11.9151 11.9151 13.0914 13.0914 13.0961 13.0961 16.2035 16.2035 16.6686 16.6686 k = 0.5000 0.2887 0.2426 ( 3112 PWs) bands (ev): -4.2320 -4.2320 -4.1936 -4.1936 1.7817 1.7817 1.8645 1.8645 4.1068 4.1068 4.1609 4.1609 4.9271 4.9271 5.0590 5.0590 5.2435 5.2435 5.2842 5.2842 6.1287 6.1287 6.2045 6.2045 6.6555 6.6555 6.7222 6.7222 6.8971 6.8971 6.9939 6.9939 7.3398 7.3398 7.3874 7.3874 7.4416 7.4416 7.4563 7.4563 7.5518 7.5518 7.5659 7.5659 7.7899 7.7899 7.7931 7.7931 7.8736 7.8736 7.8778 7.8778 9.0385 9.0385 9.1127 9.1127 11.7298 11.7298 11.9248 11.9248 13.1139 13.1139 13.1319 13.1319 16.1338 16.1338 16.7348 16.7348 k = 0.5000 0.2887 0.2305 ( 3122 PWs) bands (ev): -4.2368 -4.2368 -4.1890 -4.1890 1.7737 1.7737 1.8765 1.8765 4.1003 4.1003 4.1676 4.1676 4.9094 4.9094 5.0731 5.0731 5.2386 5.2386 5.2894 5.2894 6.1202 6.1202 6.2144 6.2144 6.6462 6.6462 6.7294 6.7294 6.8842 6.8842 7.0040 7.0040 7.3327 7.3327 7.3887 7.3887 7.4417 7.4417 7.4582 7.4582 7.5562 7.5562 7.5731 7.5731 7.7900 7.7900 7.7941 7.7941 7.8729 7.8729 7.8783 7.8783 9.0191 9.0191 9.1095 9.1095 11.7040 11.7040 11.9279 11.9279 13.1343 13.1343 13.1826 13.1826 16.0717 16.0717 16.7925 16.7925 k = 0.5000 0.2887 0.2184 ( 3128 PWs) bands (ev): -4.2414 -4.2414 -4.1846 -4.1846 1.7662 1.7662 1.8887 1.8887 4.0941 4.0941 4.1743 4.1743 4.8917 4.8917 5.0866 5.0866 5.2341 5.2341 5.2945 5.2945 6.1118 6.1118 6.2247 6.2247 6.6368 6.6368 6.7363 6.7363 6.8714 6.8714 7.0136 7.0136 7.3256 7.3256 7.3887 7.3887 7.4424 7.4424 7.4598 7.4598 7.5618 7.5618 7.5814 7.5814 7.7901 7.7901 7.7953 7.7953 7.8723 7.8723 7.8786 7.8786 8.9983 8.9983 9.1035 9.1035 11.6822 11.6822 11.9250 11.9250 13.1524 13.1524 13.2459 13.2459 16.0190 16.0190 16.8401 16.8401 k = 0.5000 0.2887 0.2062 ( 3132 PWs) bands (ev): -4.2460 -4.2460 -4.1803 -4.1803 1.7593 1.7593 1.9009 1.9009 4.0881 4.0881 4.1807 4.1807 4.8742 4.8742 5.0993 5.0993 5.2296 5.2296 5.2995 5.2995 6.1039 6.1039 6.2352 6.2352 6.6272 6.6272 6.7428 6.7428 6.8588 6.8588 7.0227 7.0227 7.3188 7.3188 7.3875 7.3875 7.4435 7.4435 7.4611 7.4611 7.5683 7.5683 7.5907 7.5907 7.7903 7.7903 7.7969 7.7969 7.8717 7.8717 7.8790 7.8790 8.9763 8.9763 9.0948 9.0948 11.6650 11.6650 11.9169 11.9169 13.1663 13.1663 13.3206 13.3206 15.9775 15.9775 16.8761 16.8761 k = 0.5000 0.2887 0.1941 ( 3132 PWs) bands (ev): -4.2504 -4.2504 -4.1762 -4.1762 1.7529 1.7529 1.9131 1.9131 4.0823 4.0823 4.1871 4.1871 4.8569 4.8569 5.1113 5.1113 5.2253 5.2253 5.3045 5.3045 6.0963 6.0963 6.2457 6.2457 6.6176 6.6176 6.7489 6.7489 6.8465 6.8465 7.0312 7.0312 7.3123 7.3123 7.3856 7.3856 7.4448 7.4448 7.4620 7.4620 7.5755 7.5755 7.6010 7.6010 7.7906 7.7906 7.7987 7.7987 7.8711 7.8711 7.8795 7.8795 8.9535 8.9535 9.0836 9.0836 11.6530 11.6530 11.9047 11.9047 13.1744 13.1744 13.4051 13.4051 15.9488 15.9488 16.8996 16.8996 k = 0.5000 0.2887 0.1820 ( 3124 PWs) bands (ev): -4.2546 -4.2546 -4.1722 -4.1722 1.7472 1.7472 1.9253 1.9253 4.0768 4.0768 4.1932 4.1932 4.8399 4.8399 5.1225 5.1225 5.2212 5.2212 5.3094 5.3094 6.0891 6.0891 6.2563 6.2563 6.6079 6.6079 6.7547 6.7547 6.8348 6.8348 7.0393 7.0393 7.3061 7.3061 7.3832 7.3832 7.4462 7.4462 7.4627 7.4627 7.5830 7.5830 7.6120 7.6120 7.7910 7.7910 7.8010 7.8010 7.8705 7.8705 7.8799 7.8799 8.9301 8.9301 9.0702 9.0702 11.6465 11.6465 11.8897 11.8897 13.1754 13.1754 13.4981 13.4981 15.9340 15.9340 16.9103 16.9103 k = 0.5000 0.2887 0.1698 ( 3122 PWs) bands (ev): -4.2587 -4.2587 -4.1684 -4.1684 1.7420 1.7420 1.9373 1.9373 4.0715 4.0715 4.1991 4.1991 4.8234 4.8234 5.1330 5.1330 5.2173 5.2173 5.3141 5.3141 6.0822 6.0822 6.2669 6.2669 6.5981 6.5981 6.7600 6.7600 6.8236 6.8236 7.0466 7.0466 7.3000 7.3000 7.3805 7.3805 7.4476 7.4476 7.4632 7.4632 7.5908 7.5908 7.6233 7.6233 7.7915 7.7915 7.8036 7.8036 7.8700 7.8700 7.8802 7.8802 8.9064 8.9064 9.0549 9.0549 11.6455 11.6455 11.8727 11.8727 13.1683 13.1683 13.5982 13.5982 15.9342 15.9342 16.9081 16.9081 k = 0.5000 0.2887 0.1577 ( 3112 PWs) bands (ev): -4.2627 -4.2627 -4.1648 -4.1648 1.7373 1.7373 1.9490 1.9490 4.0665 4.0665 4.2048 4.2048 4.8075 4.8075 5.1427 5.1427 5.2136 5.2136 5.3187 5.3187 6.0758 6.0758 6.2776 6.2776 6.5882 6.5882 6.7647 6.7647 6.8133 6.8133 7.0538 7.0538 7.2942 7.2942 7.3777 7.3777 7.4488 7.4488 7.4635 7.4635 7.5988 7.5988 7.6348 7.6348 7.7920 7.7920 7.8066 7.8066 7.8695 7.8695 7.8807 7.8807 8.8827 8.8827 9.0382 9.0382 11.6501 11.6501 11.8546 11.8546 13.1528 13.1528 13.7039 13.7039 15.9496 15.9496 16.8935 16.8935 k = 0.5000 0.2887 0.1456 ( 3112 PWs) bands (ev): -4.2664 -4.2664 -4.1615 -4.1615 1.7332 1.7332 1.9603 1.9603 4.0618 4.0618 4.2101 4.2101 4.7922 4.7922 5.1516 5.1516 5.2101 5.2101 5.3231 5.3231 6.0696 6.0696 6.2881 6.2881 6.5783 6.5783 6.7684 6.7684 6.8041 6.8041 7.0603 7.0603 7.2886 7.2886 7.3748 7.3748 7.4500 7.4500 7.4636 7.4636 7.6066 7.6066 7.6460 7.6460 7.7926 7.7926 7.8101 7.8101 7.8689 7.8689 7.8810 7.8810 8.8592 8.8592 9.0204 9.0204 11.6601 11.6601 11.8362 11.8362 13.1289 13.1289 13.8140 13.8140 15.9802 15.9802 16.8672 16.8672 k = 0.5000 0.2887 0.1335 ( 3108 PWs) bands (ev): -4.2698 -4.2698 -4.1583 -4.1583 1.7295 1.7295 1.9712 1.9712 4.0574 4.0574 4.2151 4.2151 4.7776 4.7776 5.1597 5.1597 5.2068 5.2068 5.3272 5.3272 6.0642 6.0642 6.2986 6.2986 6.5685 6.5685 6.7706 6.7706 6.7968 6.7968 7.0663 7.0663 7.2833 7.2833 7.3720 7.3720 7.4510 7.4510 7.4637 7.4637 7.6143 7.6143 7.6567 7.6567 7.7933 7.7933 7.8140 7.8140 7.8685 7.8685 7.8813 7.8813 8.8363 8.8363 9.0019 9.0019 11.6752 11.6752 11.8181 11.8181 13.0971 13.0971 13.9272 13.9272 16.0255 16.0255 16.8302 16.8302 k = 0.5000 0.2887 0.1213 ( 3112 PWs) bands (ev): -4.2731 -4.2731 -4.1554 -4.1554 1.7263 1.7263 1.9815 1.9815 4.0534 4.0534 4.2198 4.2198 4.7639 4.7639 5.1671 5.1671 5.2038 5.2038 5.3310 5.3310 6.0589 6.0589 6.3090 6.3090 6.5586 6.5586 6.7697 6.7697 6.7926 6.7926 7.0718 7.0718 7.2782 7.2782 7.3692 7.3692 7.4520 7.4520 7.4636 7.4636 7.6218 7.6218 7.6666 7.6666 7.7941 7.7941 7.8184 7.8184 7.8681 7.8681 7.8816 7.8816 8.8141 8.8141 8.9832 8.9832 11.6951 11.6951 11.8006 11.8006 13.0584 13.0584 14.0424 14.0424 16.0845 16.0845 16.7838 16.7838 k = 0.5000 0.2887 0.1092 ( 3108 PWs) bands (ev): -4.2760 -4.2760 -4.1527 -4.1527 1.7235 1.7235 1.9911 1.9911 4.0497 4.0497 4.2242 4.2242 4.7511 4.7511 5.1738 5.1738 5.2008 5.2008 5.3346 5.3346 6.0541 6.0541 6.3193 6.3193 6.5489 6.5489 6.7658 6.7658 6.7921 6.7921 7.0769 7.0769 7.2734 7.2734 7.3667 7.3667 7.4528 7.4528 7.4636 7.4636 7.6290 7.6290 7.6756 7.6756 7.7950 7.7950 7.8230 7.8230 7.8679 7.8679 7.8820 7.8820 8.7930 8.7930 8.9648 8.9648 11.7190 11.7190 11.7843 11.7843 13.0140 13.0140 14.1583 14.1583 16.1562 16.1562 16.7293 16.7293 k = 0.5000 0.2887 0.0971 ( 3110 PWs) bands (ev): -4.2787 -4.2787 -4.1503 -4.1503 1.7211 1.7211 2.0000 2.0000 4.0463 4.0463 4.2281 4.2281 4.7394 4.7394 5.1796 5.1796 5.1983 5.1983 5.3379 5.3379 6.0498 6.0498 6.3294 6.3294 6.5393 6.5393 6.7602 6.7602 6.7935 6.7935 7.0816 7.0816 7.2688 7.2688 7.3644 7.3644 7.4535 7.4535 7.4634 7.4634 7.6358 7.6358 7.6835 7.6835 7.7958 7.7958 7.8277 7.8277 7.8678 7.8678 7.8822 7.8822 8.7734 8.7734 8.9470 8.9470 11.7454 11.7454 11.7705 11.7705 12.9653 12.9653 14.2735 14.2735 16.2390 16.2390 16.6682 16.6682 k = 0.5000 0.2887 0.0849 ( 3110 PWs) bands (ev): -4.2811 -4.2811 -4.1482 -4.1482 1.7191 1.7191 2.0081 2.0081 4.0433 4.0433 4.2317 4.2317 4.7289 4.7289 5.1847 5.1847 5.1960 5.1960 5.3408 5.3408 6.0460 6.0460 6.3391 6.3391 6.5300 6.5300 6.7545 6.7545 6.7956 6.7956 7.0859 7.0859 7.2645 7.2645 7.3624 7.3624 7.4542 7.4542 7.4633 7.4633 7.6420 7.6420 7.6904 7.6904 7.7967 7.7967 7.8323 7.8323 7.8679 7.8679 7.8824 7.8824 8.7553 8.7553 8.9303 8.9303 11.7522 11.7522 11.7806 11.7806 12.9140 12.9140 14.3864 14.3864 16.3315 16.3315 16.6025 16.6025 k = 0.5000 0.2887 0.0728 ( 3110 PWs) bands (ev): -4.2833 -4.2833 -4.1463 -4.1463 1.7174 1.7174 2.0152 2.0152 4.0407 4.0407 4.2348 4.2348 4.7197 4.7197 5.1892 5.1892 5.1940 5.1940 5.3434 5.3434 6.0426 6.0426 6.3485 6.3485 6.5210 6.5210 6.7491 6.7491 6.7977 6.7977 7.0895 7.0895 7.2606 7.2606 7.3605 7.3605 7.4548 7.4548 7.4631 7.4631 7.6475 7.6475 7.6961 7.6961 7.7976 7.7976 7.8366 7.8366 7.8684 7.8684 7.8826 7.8826 8.7391 8.7391 8.9151 8.9151 11.7412 11.7412 11.8121 11.8121 12.8618 12.8618 14.4951 14.4951 16.4319 16.4319 16.5342 16.5342 k = 0.5000 0.2887 0.0607 ( 3114 PWs) bands (ev): -4.2851 -4.2851 -4.1447 -4.1447 1.7160 1.7160 2.0215 2.0215 4.0385 4.0385 4.2374 4.2374 4.7117 4.7117 5.1920 5.1920 5.1932 5.1932 5.3456 5.3456 6.0396 6.0396 6.3573 6.3573 6.5125 6.5125 6.7444 6.7444 6.7996 6.7996 7.0928 7.0928 7.2570 7.2570 7.3589 7.3589 7.4553 7.4553 7.4629 7.4629 7.6524 7.6524 7.7007 7.7007 7.7985 7.7985 7.8403 7.8403 7.8692 7.8692 7.8827 7.8827 8.7250 8.7250 8.9015 8.9015 11.7310 11.7310 11.8451 11.8451 12.8107 12.8107 14.5972 14.5972 16.4657 16.4657 16.5385 16.5385 k = 0.5000 0.2887 0.0485 ( 3118 PWs) bands (ev): -4.2866 -4.2866 -4.1434 -4.1434 1.7149 1.7149 2.0266 2.0266 4.0366 4.0366 4.2396 4.2396 4.7051 4.7051 5.1908 5.1908 5.1960 5.1960 5.3474 5.3474 6.0372 6.0372 6.3654 6.3654 6.5048 6.5048 6.7404 6.7404 6.8012 6.8012 7.0956 7.0956 7.2540 7.2540 7.3577 7.3577 7.4557 7.4557 7.4628 7.4628 7.6566 7.6566 7.7043 7.7043 7.7992 7.7992 7.8432 7.8432 7.8703 7.8703 7.8827 7.8827 8.7131 8.7131 8.8901 8.8901 11.7224 11.7224 11.8774 11.8774 12.7630 12.7630 14.6898 14.6898 16.4005 16.4005 16.6483 16.6483 k = 0.5000 0.2887 0.0364 ( 3114 PWs) bands (ev): -4.2877 -4.2877 -4.1424 -4.1424 1.7141 1.7141 2.0307 2.0307 4.0352 4.0352 4.2413 4.2413 4.7000 4.7000 5.1898 5.1898 5.1983 5.1983 5.3489 5.3489 6.0353 6.0353 6.3723 6.3723 6.4980 6.4980 6.7373 6.7373 6.8026 6.8026 7.0979 7.0979 7.2516 7.2516 7.3567 7.3567 7.4561 7.4561 7.4627 7.4627 7.6600 7.6600 7.7071 7.7071 7.7999 7.7999 7.8453 7.8453 7.8716 7.8716 7.8827 7.8827 8.7037 8.7037 8.8809 8.8809 11.7156 11.7156 11.9067 11.9067 12.7213 12.7213 14.7692 14.7692 16.3422 16.3422 16.7582 16.7582 k = 0.5000 0.2887 0.0243 ( 3114 PWs) bands (ev): -4.2886 -4.2886 -4.1417 -4.1417 1.7135 1.7135 2.0336 2.0336 4.0342 4.0342 4.2425 4.2425 4.6963 4.6963 5.1890 5.1890 5.2000 5.2000 5.3499 5.3499 6.0340 6.0340 6.3778 6.3778 6.4927 6.4927 6.7351 6.7351 6.8035 6.8035 7.0995 7.0995 7.2498 7.2498 7.3560 7.3560 7.4563 7.4563 7.4626 7.4626 7.6624 7.6624 7.7089 7.7089 7.8004 7.8004 7.8466 7.8466 7.8728 7.8728 7.8827 7.8827 8.6970 8.6970 8.8742 8.8742 11.7107 11.7107 11.9305 11.9305 12.6883 12.6883 14.8309 14.8309 16.2955 16.2955 16.8613 16.8613 k = 0.5000 0.2887 0.0121 ( 3110 PWs) bands (ev): -4.2891 -4.2891 -4.1412 -4.1412 1.7132 1.7132 2.0354 2.0354 4.0335 4.0335 4.2433 4.2433 4.6941 4.6941 5.1885 5.1885 5.2010 5.2010 5.3506 5.3506 6.0332 6.0332 6.3813 6.3813 6.4892 6.4892 6.7338 6.7338 6.8041 6.8041 7.1005 7.1005 7.2488 7.2488 7.3556 7.3556 7.4564 7.4564 7.4625 7.4625 7.6638 7.6638 7.7101 7.7101 7.8008 7.8008 7.8473 7.8473 7.8737 7.8737 7.8827 7.8827 8.6929 8.6929 8.8702 8.8702 11.7078 11.7078 11.9462 11.9462 12.6669 12.6669 14.8704 14.8704 16.2649 16.2649 16.9437 16.9437 k = 0.5000 0.2887-0.0000 ( 3114 PWs) bands (ev): -4.2892 -4.2892 -4.1411 -4.1411 1.7131 1.7131 2.0360 2.0360 4.0333 4.0333 4.2435 4.2435 4.6933 4.6933 5.1883 5.1883 5.2013 5.2013 5.3508 5.3508 6.0329 6.0329 6.3825 6.3825 6.4880 6.4880 6.7334 6.7334 6.8043 6.8043 7.1008 7.1008 7.2484 7.2484 7.3554 7.3554 7.4564 7.4564 7.4625 7.4625 7.6643 7.6643 7.7104 7.7104 7.8009 7.8009 7.8475 7.8475 7.8740 7.8740 7.8827 7.8827 8.6915 8.6915 8.8688 8.8688 11.7068 11.7068 11.9517 11.9517 12.6595 12.6595 14.8840 14.8840 16.2543 16.2543 16.9779 16.9779 k = 0.3333 0.5774-0.0000 ( 3156 PWs) bands (ev): -4.1227 -4.1227 -4.1227 -4.1227 2.5579 2.5579 2.9119 2.9119 2.9124 2.9124 3.1856 3.1856 4.8665 4.8665 4.8712 4.8712 5.7957 5.7957 5.8088 5.8088 5.8807 5.8807 5.9468 5.9468 6.0616 6.0616 6.1322 6.1322 6.5744 6.5744 6.6816 6.6816 6.8291 6.8291 6.9248 6.9248 7.0445 7.0445 7.5097 7.5097 7.5551 7.5551 7.8513 7.8513 7.9308 7.9308 7.9731 7.9731 8.2184 8.2184 8.2256 8.2256 8.7178 8.7178 8.7241 8.7241 12.0933 12.0933 15.0991 15.0991 15.1129 15.1129 15.2381 15.2381 15.6375 15.6375 15.7071 15.7071 k = 0.3333 0.5774 0.0121 ( 3153 PWs) bands (ev): -4.1227 -4.1227 -4.1227 -4.1227 2.5585 2.5585 2.9115 2.9115 2.9119 2.9119 3.1848 3.1848 4.8672 4.8672 4.8719 4.8719 5.7957 5.7957 5.8088 5.8088 5.8807 5.8807 5.9468 5.9468 6.0616 6.0616 6.1322 6.1322 6.5748 6.5748 6.6815 6.6815 6.8289 6.8289 6.9240 6.9240 7.0456 7.0456 7.5092 7.5092 7.5546 7.5546 7.8507 7.8507 7.9308 7.9308 7.9724 7.9724 8.2184 8.2184 8.2256 8.2256 8.7195 8.7195 8.7259 8.7259 12.0970 12.0970 15.0844 15.0844 15.0971 15.0971 15.2358 15.2358 15.6494 15.6494 15.7180 15.7180 k = 0.3333 0.5774 0.0243 ( 3153 PWs) bands (ev): -4.1227 -4.1227 -4.1227 -4.1227 2.5603 2.5603 2.9101 2.9101 2.9105 2.9105 3.1826 3.1826 4.8691 4.8691 4.8738 4.8738 5.7957 5.7957 5.8087 5.8087 5.8806 5.8806 5.9468 5.9468 6.0616 6.0616 6.1321 6.1321 6.5758 6.5758 6.6812 6.6812 6.8283 6.8283 6.9216 6.9216 7.0489 7.0489 7.5081 7.5081 7.5530 7.5530 7.8490 7.8490 7.9307 7.9307 7.9703 7.9703 8.2185 8.2185 8.2257 8.2257 8.7247 8.7247 8.7310 8.7310 12.1081 12.1081 15.0433 15.0433 15.0538 15.0538 15.2290 15.2290 15.6814 15.6814 15.7479 15.7479 k = 0.3333 0.5774 0.0364 ( 3147 PWs) bands (ev): -4.1226 -4.1226 -4.1226 -4.1226 2.5633 2.5633 2.9079 2.9079 2.9083 2.9083 3.1788 3.1788 4.8721 4.8721 4.8767 4.8767 5.7956 5.7956 5.8085 5.8085 5.8805 5.8805 5.9468 5.9468 6.0616 6.0616 6.1320 6.1320 6.5776 6.5776 6.6807 6.6807 6.8273 6.8273 6.9180 6.9180 7.0542 7.0542 7.5062 7.5062 7.5506 7.5506 7.8460 7.8460 7.9306 7.9306 7.9672 7.9672 8.2185 8.2185 8.2257 8.2257 8.7331 8.7331 8.7394 8.7394 12.1265 12.1265 14.9826 14.9826 14.9909 14.9909 15.2176 15.2176 15.7256 15.7256 15.7902 15.7902 k = 0.3333 0.5774 0.0485 ( 3141 PWs) bands (ev): -4.1225 -4.1225 -4.1225 -4.1225 2.5674 2.5674 2.9048 2.9048 2.9052 2.9052 3.1735 3.1735 4.8764 4.8764 4.8810 4.8810 5.7955 5.7955 5.8083 5.8083 5.8804 5.8804 5.9468 5.9468 6.0616 6.0616 6.1318 6.1318 6.5800 6.5800 6.6801 6.6801 6.8260 6.8260 6.9131 6.9131 7.0613 7.0613 7.5035 7.5035 7.5471 7.5471 7.8415 7.8415 7.9303 7.9303 7.9632 7.9632 8.2185 8.2185 8.2257 8.2257 8.7448 8.7448 8.7509 8.7509 12.1520 12.1520 14.9085 14.9085 14.9153 14.9153 15.2015 15.2015 15.7756 15.7756 15.8391 15.8391 k = 0.3333 0.5774 0.0607 ( 3138 PWs) bands (ev): -4.1223 -4.1223 -4.1223 -4.1223 2.5727 2.5727 2.9010 2.9010 2.9014 2.9014 3.1667 3.1667 4.8817 4.8817 4.8861 4.8861 5.7954 5.7954 5.8080 5.8080 5.8802 5.8802 5.9468 5.9468 6.0616 6.0616 6.1316 6.1316 6.5830 6.5830 6.6792 6.6792 6.8243 6.8243 6.9075 6.9075 7.0699 7.0699 7.5003 7.5003 7.5430 7.5430 7.8352 7.8352 7.9301 7.9301 7.9586 7.9586 8.2186 8.2186 8.2257 8.2257 8.7594 8.7594 8.7654 8.7654 12.1846 12.1846 14.8258 14.8258 14.8318 14.8318 15.1804 15.1804 15.8273 15.8273 15.8904 15.8904 k = 0.3333 0.5774 0.0728 ( 3138 PWs) bands (ev): -4.1222 -4.1222 -4.1222 -4.1222 2.5792 2.5792 2.8965 2.8965 2.8968 2.8968 3.1586 3.1586 4.8879 4.8879 4.8922 4.8922 5.7952 5.7952 5.8076 5.8076 5.8800 5.8800 5.9468 5.9468 6.0616 6.0616 6.1313 6.1313 6.5865 6.5865 6.6781 6.6781 6.8222 6.8222 6.9012 6.9012 7.0798 7.0798 7.4964 7.4964 7.5381 7.5381 7.8268 7.8268 7.9297 7.9297 7.9539 7.9539 8.2187 8.2187 8.2258 8.2258 8.7768 8.7768 8.7827 8.7827 12.2240 12.2240 14.7377 14.7377 14.7434 14.7434 15.1543 15.1543 15.8782 15.8782 15.9417 15.9417 k = 0.3333 0.5774 0.0849 ( 3144 PWs) bands (ev): -4.1220 -4.1220 -4.1220 -4.1220 2.5868 2.5868 2.8914 2.8914 2.8917 2.8917 3.1491 3.1491 4.8949 4.8949 4.8991 4.8991 5.7948 5.7948 5.8070 5.8070 5.8797 5.8797 5.9467 5.9467 6.0615 6.0615 6.1309 6.1309 6.5906 6.5906 6.6768 6.6768 6.8198 6.8198 6.8945 6.8945 7.0907 7.0907 7.4922 7.4922 7.5327 7.5327 7.8161 7.8161 7.9294 7.9294 7.9495 7.9495 8.2187 8.2187 8.2258 8.2258 8.7966 8.7966 8.8024 8.8024 12.2700 12.2700 14.6464 14.6464 14.6523 14.6523 15.1227 15.1227 15.9272 15.9272 15.9914 15.9914 k = 0.3333 0.5774 0.0971 ( 3141 PWs) bands (ev): -4.1218 -4.1218 -4.1218 -4.1218 2.5955 2.5955 2.8857 2.8857 2.8860 2.8860 3.1382 3.1382 4.9026 4.9026 4.9067 4.9067 5.7946 5.7946 5.8066 5.8066 5.8794 5.8794 5.9467 5.9467 6.0615 6.0615 6.1306 6.1306 6.5952 6.5952 6.6755 6.6755 6.8173 6.8173 6.8875 6.8875 7.1028 7.1028 7.4875 7.4875 7.5269 7.5269 7.8029 7.8029 7.9291 7.9291 7.9455 7.9455 8.2188 8.2188 8.2259 8.2259 8.8186 8.8186 8.8243 8.8243 12.3225 12.3225 14.5536 14.5536 14.5600 14.5600 15.0856 15.0856 15.9736 15.9736 16.0387 16.0387 k = 0.3333 0.5774 0.1092 ( 3141 PWs) bands (ev): -4.1216 -4.1216 -4.1216 -4.1216 2.6053 2.6053 2.8797 2.8797 2.8800 2.8800 3.1262 3.1262 4.9109 4.9109 4.9149 4.9149 5.7944 5.7944 5.8060 5.8060 5.8791 5.8791 5.9467 5.9467 6.0614 6.0614 6.1303 6.1303 6.6003 6.6003 6.6740 6.6740 6.8145 6.8145 6.8803 6.8803 7.1158 7.1158 7.4828 7.4828 7.5209 7.5209 7.7874 7.7874 7.9287 7.9287 7.9422 7.9422 8.2189 8.2189 8.2260 8.2260 8.8424 8.8424 8.8480 8.8480 12.3810 12.3810 14.4606 14.4606 14.4677 14.4677 15.0426 15.0426 16.0172 16.0172 16.0834 16.0834 k = 0.3333 0.5774 0.1213 ( 3138 PWs) bands (ev): -4.1214 -4.1214 -4.1214 -4.1214 2.6162 2.6162 2.8734 2.8734 2.8736 2.8736 3.1129 3.1129 4.9197 4.9197 4.9235 4.9235 5.7941 5.7941 5.8054 5.8054 5.8787 5.8787 5.9466 5.9466 6.0614 6.0614 6.1298 6.1298 6.6059 6.6059 6.6723 6.6723 6.8116 6.8116 6.8730 6.8730 7.1298 7.1298 7.4779 7.4779 7.5149 7.5149 7.7697 7.7697 7.9284 7.9284 7.9395 7.9395 8.2189 8.2189 8.2259 8.2259 8.8676 8.8676 8.8733 8.8733 12.4453 12.4453 14.3686 14.3686 14.3764 14.3764 14.9935 14.9935 16.0578 16.0578 16.1253 16.1253 k = 0.3333 0.5774 0.1335 ( 3138 PWs) bands (ev): -4.1212 -4.1212 -4.1212 -4.1212 2.6280 2.6280 2.8669 2.8669 2.8671 2.8671 3.0986 3.0986 4.9287 4.9287 4.9324 4.9324 5.7938 5.7938 5.8048 5.8048 5.8784 5.8784 5.9466 5.9466 6.0613 6.0613 6.1294 6.1294 6.6117 6.6117 6.6706 6.6706 6.8085 6.8085 6.8656 6.8656 7.1447 7.1447 7.4730 7.4730 7.5088 7.5088 7.7499 7.7499 7.9280 7.9280 7.9374 7.9374 8.2189 8.2189 8.2260 8.2260 8.8939 8.8939 8.8996 8.8996 12.5151 12.5151 14.2785 14.2785 14.2871 14.2871 14.9383 14.9383 16.0955 16.0955 16.1643 16.1643 k = 0.3333 0.5774 0.1456 ( 3132 PWs) bands (ev): -4.1210 -4.1210 -4.1209 -4.1209 2.6409 2.6409 2.8603 2.8603 2.8605 2.8605 3.0832 3.0832 4.9379 4.9379 4.9414 4.9414 5.7936 5.7936 5.8043 5.8043 5.8780 5.8780 5.9466 5.9466 6.0613 6.0613 6.1291 6.1291 6.6178 6.6178 6.6688 6.6688 6.8054 6.8054 6.8582 6.8582 7.1604 7.1604 7.4681 7.4681 7.5028 7.5028 7.7285 7.7285 7.9278 7.9278 7.9358 7.9358 8.2190 8.2190 8.2260 8.2260 8.9207 8.9207 8.9265 8.9265 12.5901 12.5901 14.1912 14.1912 14.2006 14.2006 14.8769 14.8769 16.1305 16.1305 16.2006 16.2006 k = 0.3333 0.5774 0.1577 ( 3132 PWs) bands (ev): -4.1207 -4.1207 -4.1207 -4.1207 2.6547 2.6547 2.8538 2.8538 2.8540 2.8540 3.0669 3.0669 4.9470 4.9470 4.9504 4.9504 5.7932 5.7932 5.8036 5.8036 5.8777 5.8777 5.9466 5.9466 6.0613 6.0613 6.1287 6.1287 6.6241 6.6241 6.6670 6.6670 6.8022 6.8022 6.8508 6.8508 7.1770 7.1770 7.4634 7.4634 7.4970 7.4970 7.7056 7.7056 7.9275 7.9275 7.9346 7.9346 8.2190 8.2190 8.2260 8.2260 8.9478 8.9478 8.9537 8.9537 12.6699 12.6699 14.1075 14.1075 14.1177 14.1177 14.8092 14.8092 16.1629 16.1629 16.2343 16.2343 k = 0.3333 0.5774 0.1698 ( 3120 PWs) bands (ev): -4.1205 -4.1205 -4.1205 -4.1205 2.6693 2.6693 2.8475 2.8475 2.8477 2.8477 3.0498 3.0498 4.9559 4.9559 4.9591 4.9591 5.7929 5.7929 5.8030 5.8030 5.8773 5.8773 5.9466 5.9466 6.0612 6.0612 6.1283 6.1283 6.6307 6.6307 6.6653 6.6653 6.7992 6.7992 6.8435 6.8435 7.1946 7.1946 7.4590 7.4590 7.4916 7.4916 7.6817 7.6817 7.9274 7.9274 7.9338 7.9338 8.2191 8.2191 8.2261 8.2261 8.9746 8.9746 8.9806 8.9806 12.7543 12.7543 14.0280 14.0280 14.0391 14.0391 14.7355 14.7355 16.1926 16.1926 16.2654 16.2654 k = 0.3333 0.5774 0.1820 ( 3120 PWs) bands (ev): -4.1203 -4.1203 -4.1203 -4.1203 2.6848 2.6848 2.8414 2.8414 2.8416 2.8416 3.0320 3.0320 4.9645 4.9645 4.9676 4.9676 5.7926 5.7926 5.8023 5.8023 5.8770 5.8770 5.9465 5.9465 6.0612 6.0612 6.1280 6.1280 6.6370 6.6370 6.6637 6.6637 6.7962 6.7962 6.8364 6.8364 7.2129 7.2129 7.4547 7.4547 7.4865 7.4865 7.6567 7.6567 7.9271 7.9271 7.9331 7.9331 8.2191 8.2191 8.2261 8.2261 9.0007 9.0007 9.0069 9.0069 12.8428 12.8428 13.9537 13.9537 13.9655 13.9655 14.6561 14.6561 16.2199 16.2199 16.2940 16.2940 k = 0.3333 0.5774 0.1941 ( 3126 PWs) bands (ev): -4.1201 -4.1201 -4.1201 -4.1201 2.7011 2.7011 2.8357 2.8357 2.8358 2.8358 3.0134 3.0134 4.9726 4.9726 4.9755 4.9755 5.7922 5.7922 5.8017 5.8017 5.8766 5.8766 5.9465 5.9465 6.0612 6.0612 6.1276 6.1276 6.6428 6.6428 6.6624 6.6624 6.7934 6.7934 6.8294 6.8294 7.2320 7.2320 7.4507 7.4507 7.4817 7.4817 7.6310 7.6310 7.9269 7.9269 7.9326 7.9326 8.2192 8.2192 8.2261 8.2261 9.0255 9.0255 9.0319 9.0319 12.9350 12.9350 13.8850 13.8850 13.8976 13.8976 14.5712 14.5712 16.2447 16.2447 16.3201 16.3201 k = 0.3333 0.5774 0.2062 ( 3132 PWs) bands (ev): -4.1199 -4.1199 -4.1199 -4.1199 2.7182 2.7182 2.8304 2.8304 2.8305 2.8305 2.9943 2.9943 4.9801 4.9801 4.9828 4.9828 5.7919 5.7919 5.8011 5.8011 5.8763 5.8763 5.9465 5.9465 6.0611 6.0611 6.1273 6.1273 6.6479 6.6479 6.6620 6.6620 6.7907 6.7907 6.8227 6.8227 7.2519 7.2519 7.4472 7.4472 7.4774 7.4774 7.6049 7.6049 7.9266 7.9266 7.9323 7.9323 8.2192 8.2192 8.2261 8.2261 9.0488 9.0488 9.0554 9.0554 13.0307 13.0307 13.8227 13.8227 13.8359 13.8359 14.4814 14.4814 16.2669 16.2669 16.3436 16.3436 k = 0.3333 0.5774 0.2184 ( 3111 PWs) bands (ev): -4.1197 -4.1197 -4.1197 -4.1197 2.7359 2.7359 2.8257 2.8257 2.8258 2.8258 2.9747 2.9747 4.9870 4.9870 4.9896 4.9896 5.7916 5.7916 5.8006 5.8006 5.8762 5.8762 5.9466 5.9466 6.0612 6.0612 6.1271 6.1271 6.6512 6.6512 6.6635 6.6635 6.7884 6.7884 6.8165 6.8165 7.2726 7.2726 7.4441 7.4441 7.4737 7.4737 7.5787 7.5787 7.9266 7.9266 7.9321 7.9321 8.2194 8.2194 8.2263 8.2263 9.0701 9.0701 9.0769 9.0769 13.1294 13.1294 13.7674 13.7674 13.7812 13.7812 14.3872 14.3872 16.2866 16.2866 16.3645 16.3645 k = 0.3333 0.5774 0.2305 ( 3102 PWs) bands (ev): -4.1195 -4.1195 -4.1195 -4.1195 2.7542 2.7542 2.8216 2.8216 2.8217 2.8217 2.9548 2.9548 4.9930 4.9930 4.9954 4.9954 5.7914 5.7914 5.8001 5.8001 5.8760 5.8760 5.9466 5.9466 6.0612 6.0612 6.1269 6.1269 6.6521 6.6521 6.6670 6.6670 6.7864 6.7864 6.8108 6.8108 7.2939 7.2939 7.4414 7.4414 7.4704 7.4704 7.5524 7.5524 7.9264 7.9264 7.9319 7.9319 8.2194 8.2194 8.2264 8.2264 9.0889 9.0889 9.0959 9.0959 13.2307 13.2307 13.7196 13.7196 13.7339 13.7339 14.2892 14.2892 16.3036 16.3036 16.3827 16.3827 k = 0.3333 0.5774 0.2426 ( 3102 PWs) bands (ev): -4.1194 -4.1194 -4.1194 -4.1194 2.7731 2.7731 2.8181 2.8181 2.8182 2.8182 2.9345 2.9345 4.9979 4.9979 5.0003 5.0003 5.7912 5.7912 5.7997 5.7997 5.8757 5.8757 5.9466 5.9466 6.0612 6.0612 6.1267 6.1267 6.6520 6.6520 6.6712 6.6712 6.7846 6.7846 6.8056 6.8056 7.3157 7.3157 7.4391 7.4391 7.4677 7.4677 7.5263 7.5263 7.9263 7.9263 7.9318 7.9318 8.2194 8.2194 8.2264 8.2264 9.1048 9.1048 9.1120 9.1120 13.3342 13.3342 13.6798 13.6798 13.6945 13.6945 14.1880 14.1880 16.3178 16.3178 16.3979 16.3979 k = 0.3333 0.5774 0.2548 ( 3102 PWs) bands (ev): -4.1193 -4.1193 -4.1193 -4.1193 2.7924 2.7924 2.8154 2.8154 2.8155 2.8155 2.9141 2.9141 5.0019 5.0019 5.0042 5.0042 5.7910 5.7910 5.7994 5.7994 5.8756 5.8756 5.9466 5.9466 6.0611 6.0611 6.1266 6.1266 6.6515 6.6515 6.6751 6.6751 6.7832 6.7832 6.8013 6.8013 7.3377 7.3377 7.4373 7.4373 7.4656 7.4656 7.5009 7.5009 7.9262 7.9262 7.9317 7.9317 8.2194 8.2194 8.2264 8.2264 9.1176 9.1176 9.1249 9.1249 13.4394 13.4394 13.6485 13.6485 13.6633 13.6633 14.0843 14.0843 16.3291 16.3291 16.4100 16.4100 k = 0.3333 0.5774 0.2669 ( 3108 PWs) bands (ev): -4.1192 -4.1192 -4.1192 -4.1192 2.8117 2.8117 2.8134 2.8134 2.8138 2.8138 2.8936 2.8936 5.0048 5.0048 5.0070 5.0070 5.7908 5.7908 5.7991 5.7991 5.8754 5.8754 5.9465 5.9465 6.0611 6.0611 6.1264 6.1264 6.6509 6.6509 6.6782 6.6782 6.7822 6.7822 6.7979 6.7979 7.3594 7.3594 7.4361 7.4361 7.4639 7.4639 7.4768 7.4768 7.9261 7.9261 7.9316 7.9316 8.2195 8.2195 8.2264 8.2264 9.1269 9.1269 9.1343 9.1343 13.5452 13.5452 13.6264 13.6264 13.6409 13.6409 13.9789 13.9789 16.3373 16.3373 16.4188 16.4188 k = 0.3333 0.5774 0.2790 ( 3108 PWs) bands (ev): -4.1192 -4.1192 -4.1192 -4.1192 2.8122 2.8122 2.8122 2.8122 2.8322 2.8322 2.8730 2.8730 5.0065 5.0065 5.0087 5.0087 5.7907 5.7907 5.7989 5.7989 5.8753 5.8753 5.9465 5.9465 6.0611 6.0611 6.1264 6.1264 6.6506 6.6506 6.6802 6.6802 6.7815 6.7815 6.7959 6.7959 7.3786 7.3786 7.4353 7.4353 7.4555 7.4555 7.4636 7.4636 7.9260 7.9260 7.9316 7.9316 8.2195 8.2195 8.2264 8.2264 9.1326 9.1326 9.1401 9.1401 13.6092 13.6092 13.6273 13.6273 13.6554 13.6554 13.8726 13.8726 16.3422 16.3422 16.4242 16.4242 k = 0.3333 0.5774 0.2912 ( 3102 PWs) bands (ev): -4.1192 -4.1192 -4.1192 -4.1192 2.8118 2.8118 2.8118 2.8118 2.8523 2.8523 2.8527 2.8527 5.0071 5.0071 5.0093 5.0093 5.7907 5.7907 5.7989 5.7989 5.8753 5.8753 5.9465 5.9465 6.0611 6.0611 6.1263 6.1263 6.6506 6.6506 6.6809 6.6809 6.7814 6.7814 6.7952 6.7952 7.3880 7.3880 7.4351 7.4351 7.4458 7.4458 7.4632 7.4632 7.9261 7.9261 7.9317 7.9317 8.2195 8.2195 8.2264 8.2264 9.1345 9.1345 9.1420 9.1420 13.6059 13.6059 13.6227 13.6227 13.7453 13.7453 13.7816 13.7816 16.3439 16.3439 16.4260 16.4260 Writing output data file Cu2S.save init_run : 0.23s CPU 0.51s WALL ( 1 calls) electrons : 140.47s CPU 143.46s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.05s WALL ( 1 calls) potinit : 0.01s CPU 0.08s WALL ( 1 calls) Called by electrons: c_bands : 140.46s CPU 143.44s 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 : 0.06s CPU 0.08s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.06s CPU 0.06s WALL ( 337 calls) cegterg : 126.69s CPU 128.80s WALL ( 358 calls) Called by sum_band: Called by *egterg: h_psi : 60.22s CPU 61.73s WALL ( 6396 calls) s_psi : 8.00s CPU 8.08s WALL ( 6396 calls) g_psi : 0.21s CPU 0.20s WALL ( 5701 calls) cdiaghg : 54.05s CPU 54.76s WALL ( 6038 calls) cegterg:over : 5.96s CPU 6.07s WALL ( 5701 calls) cegterg:upda : 4.25s CPU 4.19s WALL ( 5701 calls) cegterg:last : 2.86s CPU 2.91s WALL ( 1032 calls) cdiaghg:chol : 3.06s CPU 3.08s WALL ( 6038 calls) cdiaghg:inve : 2.18s CPU 2.18s WALL ( 6038 calls) cdiaghg:para : 3.63s CPU 3.67s WALL ( 12076 calls) Called by h_psi: h_psi:vloc : 43.65s CPU 45.01s WALL ( 6396 calls) h_psi:vnl : 16.41s CPU 16.52s WALL ( 6396 calls) add_vuspsi : 9.77s CPU 9.70s WALL ( 6396 calls) General routines calbec : 6.62s CPU 6.80s WALL ( 6396 calls) fft : 0.01s CPU 0.00s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 40.76s CPU 41.90s WALL ( 875032 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.16s CPU 0.21s WALL ( 674 calls) Parallel routines fft_scatter : 20.56s CPU 21.37s WALL ( 875055 calls) PWSCF : 2m38.90s CPU 2m55.05s WALL This run was terminated on: 17:43:12 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=