Program PWSCF v.5.3.0 (svn rev. 11974) starts on 3Jan2017 at 13:16:25 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: ./MnAs.save/ Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 29 29 8 1221 1221 186 Max 30 30 9 1230 1230 195 Sum 1069 1069 313 44149 44149 6861 bravais-lattice index = 14 lattice parameter (alat) = 7.0109 a.u. unit-cell volume = 457.7871 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 2 number of electrons = 40.00 number of Kohn-Sham states= 48 kinetic-energy cutoff = 80.0000 Ry charge density cutoff = 320.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.010883 celldm(2)= 1.000000 celldm(3)= 1.533962 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 1.533962 ) 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 0.651907 ) PseudoPot. # 1 for As read from file: /users/gautes/Pseudo/As.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 91883ac77fc8b4c49e33555c42516b17 Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1209 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Mn read from file: /users/gautes/Pseudo/Mn.rel-pbe-oncvpsp.UPF MD5 check sum: d838f0974ec4eb0180564ac5264e0bcc Pseudo is Norm-conserving, Zval = 15.0 Generated using ONCVPSP code by D. R. Hamann Using radial grid of 1464 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 atomic species valence mass pseudopotential As 5.00 74.92160 As( 1.00) Mn 15.00 54.93800 Mn( 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 ) ( -0.7669811 ) 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 ) ( 0.7669811 ) 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 ) ( -0.7669811 ) 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 ) ( -0.7669811 ) 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 ) ( 0.7669811 ) 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 ) ( 0.7669811 ) 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 ) ( 0.7669811 ) 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 ) ( -0.7669811 ) 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 ) ( 0.7669811 ) 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 ) ( 0.7669811 ) 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 ) ( -0.7669811 ) 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 ) ( -0.7669811 ) 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= 363 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027548 k( 2) = ( 0.0102041 0.0058913 -0.0000000), wk = 0.0027548 k( 3) = ( 0.0204082 0.0117827 -0.0000000), wk = 0.0027548 k( 4) = ( 0.0306122 0.0176740 -0.0000000), wk = 0.0027548 k( 5) = ( 0.0408163 0.0235653 -0.0000000), wk = 0.0027548 k( 6) = ( 0.0510204 0.0294566 -0.0000000), wk = 0.0027548 k( 7) = ( 0.0612245 0.0353480 -0.0000000), wk = 0.0027548 k( 8) = ( 0.0714286 0.0412393 -0.0000000), wk = 0.0027548 k( 9) = ( 0.0816327 0.0471306 -0.0000000), wk = 0.0027548 k( 10) = ( 0.0918367 0.0530220 -0.0000000), wk = 0.0027548 k( 11) = ( 0.1020408 0.0589133 -0.0000000), wk = 0.0027548 k( 12) = ( 0.1122449 0.0648046 -0.0000000), wk = 0.0027548 k( 13) = ( 0.1224490 0.0706960 -0.0000000), wk = 0.0027548 k( 14) = ( 0.1326531 0.0765873 -0.0000000), wk = 0.0027548 k( 15) = ( 0.1428571 0.0824786 -0.0000000), wk = 0.0027548 k( 16) = ( 0.1530612 0.0883699 -0.0000000), wk = 0.0027548 k( 17) = ( 0.1632653 0.0942613 -0.0000000), wk = 0.0027548 k( 18) = ( 0.1734694 0.1001526 -0.0000000), wk = 0.0027548 k( 19) = ( 0.1836735 0.1060439 -0.0000000), wk = 0.0027548 k( 20) = ( 0.1938776 0.1119353 -0.0000000), wk = 0.0027548 k( 21) = ( 0.2040816 0.1178266 -0.0000000), wk = 0.0027548 k( 22) = ( 0.2142857 0.1237179 -0.0000000), wk = 0.0027548 k( 23) = ( 0.2244898 0.1296092 -0.0000000), wk = 0.0027548 k( 24) = ( 0.2346939 0.1355006 -0.0000000), wk = 0.0027548 k( 25) = ( 0.2448980 0.1413919 -0.0000000), wk = 0.0027548 k( 26) = ( 0.2551020 0.1472832 -0.0000000), wk = 0.0027548 k( 27) = ( 0.2653061 0.1531746 -0.0000000), wk = 0.0027548 k( 28) = ( 0.2755102 0.1590659 -0.0000000), wk = 0.0027548 k( 29) = ( 0.2857143 0.1649572 -0.0000000), wk = 0.0027548 k( 30) = ( 0.2959184 0.1708486 -0.0000000), wk = 0.0027548 k( 31) = ( 0.3061224 0.1767399 -0.0000000), wk = 0.0027548 k( 32) = ( 0.3163265 0.1826312 -0.0000000), wk = 0.0027548 k( 33) = ( 0.3265306 0.1885225 -0.0000000), wk = 0.0027548 k( 34) = ( 0.3367347 0.1944139 -0.0000000), wk = 0.0027548 k( 35) = ( 0.3469388 0.2003052 -0.0000000), wk = 0.0027548 k( 36) = ( 0.3571429 0.2061965 -0.0000000), wk = 0.0027548 k( 37) = ( 0.3673469 0.2120879 -0.0000000), wk = 0.0027548 k( 38) = ( 0.3775510 0.2179792 -0.0000000), wk = 0.0027548 k( 39) = ( 0.3877551 0.2238705 -0.0000000), wk = 0.0027548 k( 40) = ( 0.3979592 0.2297618 -0.0000000), wk = 0.0027548 k( 41) = ( 0.4081633 0.2356532 -0.0000000), wk = 0.0027548 k( 42) = ( 0.4183674 0.2415445 -0.0000000), wk = 0.0027548 k( 43) = ( 0.4285714 0.2474358 -0.0000000), wk = 0.0027548 k( 44) = ( 0.4387755 0.2533272 -0.0000000), wk = 0.0027548 k( 45) = ( 0.4489796 0.2592185 -0.0000000), wk = 0.0027548 k( 46) = ( 0.4591837 0.2651098 -0.0000000), wk = 0.0027548 k( 47) = ( 0.4693878 0.2710011 -0.0000000), wk = 0.0027548 k( 48) = ( 0.4795918 0.2768925 -0.0000000), wk = 0.0027548 k( 49) = ( 0.4897959 0.2827838 -0.0000000), wk = 0.0027548 k( 50) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0027548 k( 51) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0027548 k( 52) = ( 0.4942529 0.2986294 -0.0000000), wk = 0.0027548 k( 53) = ( 0.4885058 0.3085838 -0.0000000), wk = 0.0027548 k( 54) = ( 0.4827586 0.3185381 -0.0000000), wk = 0.0027548 k( 55) = ( 0.4770115 0.3284924 -0.0000000), wk = 0.0027548 k( 56) = ( 0.4712644 0.3384467 -0.0000000), wk = 0.0027548 k( 57) = ( 0.4655172 0.3484010 -0.0000000), wk = 0.0027548 k( 58) = ( 0.4597701 0.3583553 -0.0000000), wk = 0.0027548 k( 59) = ( 0.4540230 0.3683097 -0.0000000), wk = 0.0027548 k( 60) = ( 0.4482759 0.3782640 -0.0000000), wk = 0.0027548 k( 61) = ( 0.4425287 0.3882183 -0.0000000), wk = 0.0027548 k( 62) = ( 0.4367816 0.3981726 -0.0000000), wk = 0.0027548 k( 63) = ( 0.4310345 0.4081269 -0.0000000), wk = 0.0027548 k( 64) = ( 0.4252874 0.4180812 -0.0000000), wk = 0.0027548 k( 65) = ( 0.4195402 0.4280355 -0.0000000), wk = 0.0027548 k( 66) = ( 0.4137931 0.4379899 -0.0000000), wk = 0.0027548 k( 67) = ( 0.4080460 0.4479442 -0.0000000), wk = 0.0027548 k( 68) = ( 0.4022988 0.4578985 -0.0000000), wk = 0.0027548 k( 69) = ( 0.3965517 0.4678528 -0.0000000), wk = 0.0027548 k( 70) = ( 0.3908046 0.4778071 -0.0000000), wk = 0.0027548 k( 71) = ( 0.3850575 0.4877614 -0.0000000), wk = 0.0027548 k( 72) = ( 0.3793103 0.4977157 -0.0000000), wk = 0.0027548 k( 73) = ( 0.3735632 0.5076701 -0.0000000), wk = 0.0027548 k( 74) = ( 0.3678161 0.5176244 -0.0000000), wk = 0.0027548 k( 75) = ( 0.3620690 0.5275787 -0.0000000), wk = 0.0027548 k( 76) = ( 0.3563218 0.5375330 -0.0000000), wk = 0.0027548 k( 77) = ( 0.3505747 0.5474873 -0.0000000), wk = 0.0027548 k( 78) = ( 0.3448276 0.5574416 -0.0000000), wk = 0.0027548 k( 79) = ( 0.3390805 0.5673960 -0.0000000), wk = 0.0027548 k( 80) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0027548 k( 81) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0027548 k( 82) = ( 0.3274854 0.5672213 -0.0000000), wk = 0.0027548 k( 83) = ( 0.3216374 0.5570924 -0.0000000), wk = 0.0027548 k( 84) = ( 0.3157895 0.5469634 -0.0000000), wk = 0.0027548 k( 85) = ( 0.3099415 0.5368345 -0.0000000), wk = 0.0027548 k( 86) = ( 0.3040936 0.5267055 -0.0000000), wk = 0.0027548 k( 87) = ( 0.2982456 0.5165765 -0.0000000), wk = 0.0027548 k( 88) = ( 0.2923977 0.5064476 -0.0000000), wk = 0.0027548 k( 89) = ( 0.2865497 0.4963187 -0.0000000), wk = 0.0027548 k( 90) = ( 0.2807018 0.4861897 -0.0000000), wk = 0.0027548 k( 91) = ( 0.2748538 0.4760607 -0.0000000), wk = 0.0027548 k( 92) = ( 0.2690058 0.4659318 -0.0000000), wk = 0.0027548 k( 93) = ( 0.2631579 0.4558028 -0.0000000), wk = 0.0027548 k( 94) = ( 0.2573099 0.4456739 -0.0000000), wk = 0.0027548 k( 95) = ( 0.2514620 0.4355449 -0.0000000), wk = 0.0027548 k( 96) = ( 0.2456140 0.4254160 -0.0000000), wk = 0.0027548 k( 97) = ( 0.2397661 0.4152870 -0.0000000), wk = 0.0027548 k( 98) = ( 0.2339181 0.4051581 -0.0000000), wk = 0.0027548 k( 99) = ( 0.2280702 0.3950291 -0.0000000), wk = 0.0027548 k( 100) = ( 0.2222222 0.3849002 -0.0000000), wk = 0.0027548 k( 101) = ( 0.2163743 0.3747712 -0.0000000), wk = 0.0027548 k( 102) = ( 0.2105263 0.3646423 -0.0000000), wk = 0.0027548 k( 103) = ( 0.2046784 0.3545133 -0.0000000), wk = 0.0027548 k( 104) = ( 0.1988304 0.3443844 -0.0000000), wk = 0.0027548 k( 105) = ( 0.1929825 0.3342554 -0.0000000), wk = 0.0027548 k( 106) = ( 0.1871345 0.3241265 -0.0000000), wk = 0.0027548 k( 107) = ( 0.1812865 0.3139975 -0.0000000), wk = 0.0027548 k( 108) = ( 0.1754386 0.3038686 -0.0000000), wk = 0.0027548 k( 109) = ( 0.1695906 0.2937396 -0.0000000), wk = 0.0027548 k( 110) = ( 0.1637427 0.2836107 -0.0000000), wk = 0.0027548 k( 111) = ( 0.1578947 0.2734817 -0.0000000), wk = 0.0027548 k( 112) = ( 0.1520468 0.2633527 -0.0000000), wk = 0.0027548 k( 113) = ( 0.1461988 0.2532238 -0.0000000), wk = 0.0027548 k( 114) = ( 0.1403509 0.2430949 -0.0000000), wk = 0.0027548 k( 115) = ( 0.1345029 0.2329659 -0.0000000), wk = 0.0027548 k( 116) = ( 0.1286550 0.2228369 -0.0000000), wk = 0.0027548 k( 117) = ( 0.1228070 0.2127080 -0.0000000), wk = 0.0027548 k( 118) = ( 0.1169591 0.2025790 -0.0000000), wk = 0.0027548 k( 119) = ( 0.1111111 0.1924501 -0.0000000), wk = 0.0027548 k( 120) = ( 0.1052632 0.1823211 -0.0000000), wk = 0.0027548 k( 121) = ( 0.0994152 0.1721922 -0.0000000), wk = 0.0027548 k( 122) = ( 0.0935673 0.1620632 -0.0000000), wk = 0.0027548 k( 123) = ( 0.0877193 0.1519343 -0.0000000), wk = 0.0027548 k( 124) = ( 0.0818713 0.1418053 -0.0000000), wk = 0.0027548 k( 125) = ( 0.0760234 0.1316764 -0.0000000), wk = 0.0027548 k( 126) = ( 0.0701754 0.1215474 -0.0000000), wk = 0.0027548 k( 127) = ( 0.0643275 0.1114185 -0.0000000), wk = 0.0027548 k( 128) = ( 0.0584795 0.1012895 -0.0000000), wk = 0.0027548 k( 129) = ( 0.0526316 0.0911606 -0.0000000), wk = 0.0027548 k( 130) = ( 0.0467836 0.0810316 -0.0000000), wk = 0.0027548 k( 131) = ( 0.0409357 0.0709027 -0.0000000), wk = 0.0027548 k( 132) = ( 0.0350877 0.0607737 -0.0000000), wk = 0.0027548 k( 133) = ( 0.0292398 0.0506448 -0.0000000), wk = 0.0027548 k( 134) = ( 0.0233918 0.0405158 -0.0000000), wk = 0.0027548 k( 135) = ( 0.0175439 0.0303869 -0.0000000), wk = 0.0027548 k( 136) = ( 0.0116959 0.0202579 -0.0000000), wk = 0.0027548 k( 137) = ( 0.0058480 0.0101289 -0.0000000), wk = 0.0027548 k( 138) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027548 k( 139) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027548 k( 140) = ( 0.0000000 0.0000000 0.0116412), wk = 0.0027548 k( 141) = ( 0.0000000 0.0000000 0.0232824), wk = 0.0027548 k( 142) = ( 0.0000000 0.0000000 0.0349236), wk = 0.0027548 k( 143) = ( 0.0000000 0.0000000 0.0465648), wk = 0.0027548 k( 144) = ( 0.0000000 0.0000000 0.0582059), wk = 0.0027548 k( 145) = ( 0.0000000 0.0000000 0.0698471), wk = 0.0027548 k( 146) = ( 0.0000000 0.0000000 0.0814883), wk = 0.0027548 k( 147) = ( 0.0000000 0.0000000 0.0931295), wk = 0.0027548 k( 148) = ( 0.0000000 0.0000000 0.1047707), wk = 0.0027548 k( 149) = ( 0.0000000 0.0000000 0.1164119), wk = 0.0027548 k( 150) = ( 0.0000000 0.0000000 0.1280531), wk = 0.0027548 k( 151) = ( 0.0000000 0.0000000 0.1396943), wk = 0.0027548 k( 152) = ( 0.0000000 0.0000000 0.1513354), wk = 0.0027548 k( 153) = ( 0.0000000 0.0000000 0.1629766), wk = 0.0027548 k( 154) = ( 0.0000000 0.0000000 0.1746178), wk = 0.0027548 k( 155) = ( 0.0000000 0.0000000 0.1862590), wk = 0.0027548 k( 156) = ( 0.0000000 0.0000000 0.1979002), wk = 0.0027548 k( 157) = ( 0.0000000 0.0000000 0.2095414), wk = 0.0027548 k( 158) = ( 0.0000000 0.0000000 0.2211826), wk = 0.0027548 k( 159) = ( 0.0000000 0.0000000 0.2328238), wk = 0.0027548 k( 160) = ( 0.0000000 0.0000000 0.2444649), wk = 0.0027548 k( 161) = ( 0.0000000 0.0000000 0.2561061), wk = 0.0027548 k( 162) = ( 0.0000000 0.0000000 0.2677473), wk = 0.0027548 k( 163) = ( 0.0000000 0.0000000 0.2793885), wk = 0.0027548 k( 164) = ( 0.0000000 0.0000000 0.2910297), wk = 0.0027548 k( 165) = ( 0.0000000 0.0000000 0.3026709), wk = 0.0027548 k( 166) = ( 0.0000000 0.0000000 0.3143121), wk = 0.0027548 k( 167) = ( 0.0000000 0.0000000 0.3259533), wk = 0.0027548 k( 168) = ( 0.0000000 0.0000000 0.3259533), wk = 0.0027548 k( 169) = ( 0.0102041 0.0058913 0.3259533), wk = 0.0027548 k( 170) = ( 0.0204082 0.0117827 0.3259533), wk = 0.0027548 k( 171) = ( 0.0306122 0.0176740 0.3259533), wk = 0.0027548 k( 172) = ( 0.0408163 0.0235653 0.3259533), wk = 0.0027548 k( 173) = ( 0.0510204 0.0294566 0.3259533), wk = 0.0027548 k( 174) = ( 0.0612245 0.0353480 0.3259533), wk = 0.0027548 k( 175) = ( 0.0714286 0.0412393 0.3259533), wk = 0.0027548 k( 176) = ( 0.0816327 0.0471306 0.3259533), wk = 0.0027548 k( 177) = ( 0.0918367 0.0530220 0.3259533), wk = 0.0027548 k( 178) = ( 0.1020408 0.0589133 0.3259533), wk = 0.0027548 k( 179) = ( 0.1122449 0.0648046 0.3259533), wk = 0.0027548 k( 180) = ( 0.1224490 0.0706960 0.3259533), wk = 0.0027548 k( 181) = ( 0.1326531 0.0765873 0.3259533), wk = 0.0027548 k( 182) = ( 0.1428571 0.0824786 0.3259533), wk = 0.0027548 k( 183) = ( 0.1530612 0.0883699 0.3259533), wk = 0.0027548 k( 184) = ( 0.1632653 0.0942613 0.3259533), wk = 0.0027548 k( 185) = ( 0.1734694 0.1001526 0.3259533), wk = 0.0027548 k( 186) = ( 0.1836735 0.1060439 0.3259533), wk = 0.0027548 k( 187) = ( 0.1938776 0.1119353 0.3259533), wk = 0.0027548 k( 188) = ( 0.2040816 0.1178266 0.3259533), wk = 0.0027548 k( 189) = ( 0.2142857 0.1237179 0.3259533), wk = 0.0027548 k( 190) = ( 0.2244898 0.1296092 0.3259533), wk = 0.0027548 k( 191) = ( 0.2346939 0.1355006 0.3259533), wk = 0.0027548 k( 192) = ( 0.2448980 0.1413919 0.3259533), wk = 0.0027548 k( 193) = ( 0.2551020 0.1472832 0.3259533), wk = 0.0027548 k( 194) = ( 0.2653061 0.1531746 0.3259533), wk = 0.0027548 k( 195) = ( 0.2755102 0.1590659 0.3259533), wk = 0.0027548 k( 196) = ( 0.2857143 0.1649572 0.3259533), wk = 0.0027548 k( 197) = ( 0.2959184 0.1708486 0.3259533), wk = 0.0027548 k( 198) = ( 0.3061224 0.1767399 0.3259533), wk = 0.0027548 k( 199) = ( 0.3163265 0.1826312 0.3259533), wk = 0.0027548 k( 200) = ( 0.3265306 0.1885225 0.3259533), wk = 0.0027548 k( 201) = ( 0.3367347 0.1944139 0.3259533), wk = 0.0027548 k( 202) = ( 0.3469388 0.2003052 0.3259533), wk = 0.0027548 k( 203) = ( 0.3571429 0.2061965 0.3259533), wk = 0.0027548 k( 204) = ( 0.3673469 0.2120879 0.3259533), wk = 0.0027548 k( 205) = ( 0.3775510 0.2179792 0.3259533), wk = 0.0027548 k( 206) = ( 0.3877551 0.2238705 0.3259533), wk = 0.0027548 k( 207) = ( 0.3979592 0.2297618 0.3259533), wk = 0.0027548 k( 208) = ( 0.4081633 0.2356532 0.3259533), wk = 0.0027548 k( 209) = ( 0.4183674 0.2415445 0.3259533), wk = 0.0027548 k( 210) = ( 0.4285714 0.2474358 0.3259533), wk = 0.0027548 k( 211) = ( 0.4387755 0.2533272 0.3259533), wk = 0.0027548 k( 212) = ( 0.4489796 0.2592185 0.3259533), wk = 0.0027548 k( 213) = ( 0.4591837 0.2651098 0.3259533), wk = 0.0027548 k( 214) = ( 0.4693878 0.2710011 0.3259533), wk = 0.0027548 k( 215) = ( 0.4795918 0.2768925 0.3259533), wk = 0.0027548 k( 216) = ( 0.4897959 0.2827838 0.3259533), wk = 0.0027548 k( 217) = ( 0.5000000 0.2886751 0.3259533), wk = 0.0027548 k( 218) = ( 0.5000000 0.2886751 0.3259533), wk = 0.0027548 k( 219) = ( 0.4942529 0.2986294 0.3259533), wk = 0.0027548 k( 220) = ( 0.4885058 0.3085838 0.3259533), wk = 0.0027548 k( 221) = ( 0.4827586 0.3185381 0.3259533), wk = 0.0027548 k( 222) = ( 0.4770115 0.3284924 0.3259533), wk = 0.0027548 k( 223) = ( 0.4712644 0.3384467 0.3259533), wk = 0.0027548 k( 224) = ( 0.4655172 0.3484010 0.3259533), wk = 0.0027548 k( 225) = ( 0.4597701 0.3583553 0.3259533), wk = 0.0027548 k( 226) = ( 0.4540230 0.3683097 0.3259533), wk = 0.0027548 k( 227) = ( 0.4482759 0.3782640 0.3259533), wk = 0.0027548 k( 228) = ( 0.4425287 0.3882183 0.3259533), wk = 0.0027548 k( 229) = ( 0.4367816 0.3981726 0.3259533), wk = 0.0027548 k( 230) = ( 0.4310345 0.4081269 0.3259533), wk = 0.0027548 k( 231) = ( 0.4252874 0.4180812 0.3259533), wk = 0.0027548 k( 232) = ( 0.4195402 0.4280355 0.3259533), wk = 0.0027548 k( 233) = ( 0.4137931 0.4379899 0.3259533), wk = 0.0027548 k( 234) = ( 0.4080460 0.4479442 0.3259533), wk = 0.0027548 k( 235) = ( 0.4022988 0.4578985 0.3259533), wk = 0.0027548 k( 236) = ( 0.3965517 0.4678528 0.3259533), wk = 0.0027548 k( 237) = ( 0.3908046 0.4778071 0.3259533), wk = 0.0027548 k( 238) = ( 0.3850575 0.4877614 0.3259533), wk = 0.0027548 k( 239) = ( 0.3793103 0.4977157 0.3259533), wk = 0.0027548 k( 240) = ( 0.3735632 0.5076701 0.3259533), wk = 0.0027548 k( 241) = ( 0.3678161 0.5176244 0.3259533), wk = 0.0027548 k( 242) = ( 0.3620690 0.5275787 0.3259533), wk = 0.0027548 k( 243) = ( 0.3563218 0.5375330 0.3259533), wk = 0.0027548 k( 244) = ( 0.3505747 0.5474873 0.3259533), wk = 0.0027548 k( 245) = ( 0.3448276 0.5574416 0.3259533), wk = 0.0027548 k( 246) = ( 0.3390805 0.5673960 0.3259533), wk = 0.0027548 k( 247) = ( 0.3333333 0.5773503 0.3259533), wk = 0.0027548 k( 248) = ( 0.3333333 0.5773503 0.3259533), wk = 0.0027548 k( 249) = ( 0.3274854 0.5672213 0.3259533), wk = 0.0027548 k( 250) = ( 0.3216374 0.5570924 0.3259533), wk = 0.0027548 k( 251) = ( 0.3157895 0.5469634 0.3259533), wk = 0.0027548 k( 252) = ( 0.3099415 0.5368345 0.3259533), wk = 0.0027548 k( 253) = ( 0.3040936 0.5267055 0.3259533), wk = 0.0027548 k( 254) = ( 0.2982456 0.5165765 0.3259533), wk = 0.0027548 k( 255) = ( 0.2923977 0.5064476 0.3259533), wk = 0.0027548 k( 256) = ( 0.2865497 0.4963187 0.3259533), wk = 0.0027548 k( 257) = ( 0.2807018 0.4861897 0.3259533), wk = 0.0027548 k( 258) = ( 0.2748538 0.4760607 0.3259533), wk = 0.0027548 k( 259) = ( 0.2690058 0.4659318 0.3259533), wk = 0.0027548 k( 260) = ( 0.2631579 0.4558028 0.3259533), wk = 0.0027548 k( 261) = ( 0.2573099 0.4456739 0.3259533), wk = 0.0027548 k( 262) = ( 0.2514620 0.4355449 0.3259533), wk = 0.0027548 k( 263) = ( 0.2456140 0.4254160 0.3259533), wk = 0.0027548 k( 264) = ( 0.2397661 0.4152870 0.3259533), wk = 0.0027548 k( 265) = ( 0.2339181 0.4051581 0.3259533), wk = 0.0027548 k( 266) = ( 0.2280702 0.3950291 0.3259533), wk = 0.0027548 k( 267) = ( 0.2222222 0.3849002 0.3259533), wk = 0.0027548 k( 268) = ( 0.2163743 0.3747712 0.3259533), wk = 0.0027548 k( 269) = ( 0.2105263 0.3646423 0.3259533), wk = 0.0027548 k( 270) = ( 0.2046784 0.3545133 0.3259533), wk = 0.0027548 k( 271) = ( 0.1988304 0.3443844 0.3259533), wk = 0.0027548 k( 272) = ( 0.1929825 0.3342554 0.3259533), wk = 0.0027548 k( 273) = ( 0.1871345 0.3241265 0.3259533), wk = 0.0027548 k( 274) = ( 0.1812865 0.3139975 0.3259533), wk = 0.0027548 k( 275) = ( 0.1754386 0.3038686 0.3259533), wk = 0.0027548 k( 276) = ( 0.1695906 0.2937396 0.3259533), wk = 0.0027548 k( 277) = ( 0.1637427 0.2836107 0.3259533), wk = 0.0027548 k( 278) = ( 0.1578947 0.2734817 0.3259533), wk = 0.0027548 k( 279) = ( 0.1520468 0.2633527 0.3259533), wk = 0.0027548 k( 280) = ( 0.1461988 0.2532238 0.3259533), wk = 0.0027548 k( 281) = ( 0.1403509 0.2430949 0.3259533), wk = 0.0027548 k( 282) = ( 0.1345029 0.2329659 0.3259533), wk = 0.0027548 k( 283) = ( 0.1286550 0.2228369 0.3259533), wk = 0.0027548 k( 284) = ( 0.1228070 0.2127080 0.3259533), wk = 0.0027548 k( 285) = ( 0.1169591 0.2025790 0.3259533), wk = 0.0027548 k( 286) = ( 0.1111111 0.1924501 0.3259533), wk = 0.0027548 k( 287) = ( 0.1052632 0.1823211 0.3259533), wk = 0.0027548 k( 288) = ( 0.0994152 0.1721922 0.3259533), wk = 0.0027548 k( 289) = ( 0.0935673 0.1620632 0.3259533), wk = 0.0027548 k( 290) = ( 0.0877193 0.1519343 0.3259533), wk = 0.0027548 k( 291) = ( 0.0818713 0.1418053 0.3259533), wk = 0.0027548 k( 292) = ( 0.0760234 0.1316764 0.3259533), wk = 0.0027548 k( 293) = ( 0.0701754 0.1215474 0.3259533), wk = 0.0027548 k( 294) = ( 0.0643275 0.1114185 0.3259533), wk = 0.0027548 k( 295) = ( 0.0584795 0.1012895 0.3259533), wk = 0.0027548 k( 296) = ( 0.0526316 0.0911606 0.3259533), wk = 0.0027548 k( 297) = ( 0.0467836 0.0810316 0.3259533), wk = 0.0027548 k( 298) = ( 0.0409357 0.0709027 0.3259533), wk = 0.0027548 k( 299) = ( 0.0350877 0.0607737 0.3259533), wk = 0.0027548 k( 300) = ( 0.0292398 0.0506448 0.3259533), wk = 0.0027548 k( 301) = ( 0.0233918 0.0405158 0.3259533), wk = 0.0027548 k( 302) = ( 0.0175439 0.0303869 0.3259533), wk = 0.0027548 k( 303) = ( 0.0116959 0.0202579 0.3259533), wk = 0.0027548 k( 304) = ( 0.0058480 0.0101289 0.3259533), wk = 0.0027548 k( 305) = ( 0.0000000 0.0000000 0.3259533), wk = 0.0027548 k( 306) = ( 0.5000000 0.2886751 0.3259533), wk = 0.0027548 k( 307) = ( 0.5000000 0.2886751 0.3143121), wk = 0.0027548 k( 308) = ( 0.5000000 0.2886751 0.3026709), wk = 0.0027548 k( 309) = ( 0.5000000 0.2886751 0.2910297), wk = 0.0027548 k( 310) = ( 0.5000000 0.2886751 0.2793885), wk = 0.0027548 k( 311) = ( 0.5000000 0.2886751 0.2677473), wk = 0.0027548 k( 312) = ( 0.5000000 0.2886751 0.2561061), wk = 0.0027548 k( 313) = ( 0.5000000 0.2886751 0.2444649), wk = 0.0027548 k( 314) = ( 0.5000000 0.2886751 0.2328238), wk = 0.0027548 k( 315) = ( 0.5000000 0.2886751 0.2211826), wk = 0.0027548 k( 316) = ( 0.5000000 0.2886751 0.2095414), wk = 0.0027548 k( 317) = ( 0.5000000 0.2886751 0.1979002), wk = 0.0027548 k( 318) = ( 0.5000000 0.2886751 0.1862590), wk = 0.0027548 k( 319) = ( 0.5000000 0.2886751 0.1746178), wk = 0.0027548 k( 320) = ( 0.5000000 0.2886751 0.1629766), wk = 0.0027548 k( 321) = ( 0.5000000 0.2886751 0.1513354), wk = 0.0027548 k( 322) = ( 0.5000000 0.2886751 0.1396943), wk = 0.0027548 k( 323) = ( 0.5000000 0.2886751 0.1280531), wk = 0.0027548 k( 324) = ( 0.5000000 0.2886751 0.1164119), wk = 0.0027548 k( 325) = ( 0.5000000 0.2886751 0.1047707), wk = 0.0027548 k( 326) = ( 0.5000000 0.2886751 0.0931295), wk = 0.0027548 k( 327) = ( 0.5000000 0.2886751 0.0814883), wk = 0.0027548 k( 328) = ( 0.5000000 0.2886751 0.0698471), wk = 0.0027548 k( 329) = ( 0.5000000 0.2886751 0.0582059), wk = 0.0027548 k( 330) = ( 0.5000000 0.2886751 0.0465648), wk = 0.0027548 k( 331) = ( 0.5000000 0.2886751 0.0349236), wk = 0.0027548 k( 332) = ( 0.5000000 0.2886751 0.0232824), wk = 0.0027548 k( 333) = ( 0.5000000 0.2886751 0.0116412), wk = 0.0027548 k( 334) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0027548 k( 335) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0027548 k( 336) = ( 0.3333333 0.5773503 0.0116412), wk = 0.0027548 k( 337) = ( 0.3333333 0.5773503 0.0232824), wk = 0.0027548 k( 338) = ( 0.3333333 0.5773503 0.0349236), wk = 0.0027548 k( 339) = ( 0.3333333 0.5773503 0.0465648), wk = 0.0027548 k( 340) = ( 0.3333333 0.5773503 0.0582059), wk = 0.0027548 k( 341) = ( 0.3333333 0.5773503 0.0698471), wk = 0.0027548 k( 342) = ( 0.3333333 0.5773503 0.0814883), wk = 0.0027548 k( 343) = ( 0.3333333 0.5773503 0.0931295), wk = 0.0027548 k( 344) = ( 0.3333333 0.5773503 0.1047707), wk = 0.0027548 k( 345) = ( 0.3333333 0.5773503 0.1164119), wk = 0.0027548 k( 346) = ( 0.3333333 0.5773503 0.1280531), wk = 0.0027548 k( 347) = ( 0.3333333 0.5773503 0.1396943), wk = 0.0027548 k( 348) = ( 0.3333333 0.5773503 0.1513354), wk = 0.0027548 k( 349) = ( 0.3333333 0.5773503 0.1629766), wk = 0.0027548 k( 350) = ( 0.3333333 0.5773503 0.1746178), wk = 0.0027548 k( 351) = ( 0.3333333 0.5773503 0.1862590), wk = 0.0027548 k( 352) = ( 0.3333333 0.5773503 0.1979002), wk = 0.0027548 k( 353) = ( 0.3333333 0.5773503 0.2095414), wk = 0.0027548 k( 354) = ( 0.3333333 0.5773503 0.2211826), wk = 0.0027548 k( 355) = ( 0.3333333 0.5773503 0.2328238), wk = 0.0027548 k( 356) = ( 0.3333333 0.5773503 0.2444649), wk = 0.0027548 k( 357) = ( 0.3333333 0.5773503 0.2561061), wk = 0.0027548 k( 358) = ( 0.3333333 0.5773503 0.2677473), wk = 0.0027548 k( 359) = ( 0.3333333 0.5773503 0.2793885), wk = 0.0027548 k( 360) = ( 0.3333333 0.5773503 0.2910297), wk = 0.0027548 k( 361) = ( 0.3333333 0.5773503 0.3026709), wk = 0.0027548 k( 362) = ( 0.3333333 0.5773503 0.3143121), wk = 0.0027548 k( 363) = ( 0.3333333 0.5773503 0.3259533), wk = 0.0027548 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027548 k( 2) = ( 0.0102041 0.0000000 -0.0000000), wk = 0.0027548 k( 3) = ( 0.0204082 0.0000000 -0.0000000), wk = 0.0027548 k( 4) = ( 0.0306122 0.0000000 -0.0000000), wk = 0.0027548 k( 5) = ( 0.0408163 0.0000000 -0.0000000), wk = 0.0027548 k( 6) = ( 0.0510204 0.0000000 0.0000000), wk = 0.0027548 k( 7) = ( 0.0612245 0.0000000 -0.0000000), wk = 0.0027548 k( 8) = ( 0.0714286 0.0000000 -0.0000000), wk = 0.0027548 k( 9) = ( 0.0816327 0.0000000 -0.0000000), wk = 0.0027548 k( 10) = ( 0.0918367 0.0000000 -0.0000000), wk = 0.0027548 k( 11) = ( 0.1020408 0.0000000 0.0000000), wk = 0.0027548 k( 12) = ( 0.1122449 -0.0000000 -0.0000000), wk = 0.0027548 k( 13) = ( 0.1224490 0.0000000 -0.0000000), wk = 0.0027548 k( 14) = ( 0.1326531 -0.0000000 -0.0000000), wk = 0.0027548 k( 15) = ( 0.1428571 0.0000000 -0.0000000), wk = 0.0027548 k( 16) = ( 0.1530612 0.0000000 -0.0000000), wk = 0.0027548 k( 17) = ( 0.1632653 0.0000000 -0.0000000), wk = 0.0027548 k( 18) = ( 0.1734694 0.0000000 -0.0000000), wk = 0.0027548 k( 19) = ( 0.1836735 0.0000000 0.0000000), wk = 0.0027548 k( 20) = ( 0.1938776 0.0000000 -0.0000000), wk = 0.0027548 k( 21) = ( 0.2040816 0.0000000 -0.0000000), wk = 0.0027548 k( 22) = ( 0.2142857 0.0000000 -0.0000000), wk = 0.0027548 k( 23) = ( 0.2244898 -0.0000000 -0.0000000), wk = 0.0027548 k( 24) = ( 0.2346939 0.0000000 -0.0000000), wk = 0.0027548 k( 25) = ( 0.2448980 0.0000000 -0.0000000), wk = 0.0027548 k( 26) = ( 0.2551020 0.0000000 0.0000000), wk = 0.0027548 k( 27) = ( 0.2653061 -0.0000000 -0.0000000), wk = 0.0027548 k( 28) = ( 0.2755102 0.0000000 0.0000000), wk = 0.0027548 k( 29) = ( 0.2857143 0.0000000 0.0000000), wk = 0.0027548 k( 30) = ( 0.2959184 0.0000000 -0.0000000), wk = 0.0027548 k( 31) = ( 0.3061224 0.0000000 -0.0000000), wk = 0.0027548 k( 32) = ( 0.3163265 0.0000000 -0.0000000), wk = 0.0027548 k( 33) = ( 0.3265306 0.0000000 -0.0000000), wk = 0.0027548 k( 34) = ( 0.3367347 0.0000000 -0.0000000), wk = 0.0027548 k( 35) = ( 0.3469388 0.0000000 -0.0000000), wk = 0.0027548 k( 36) = ( 0.3571429 0.0000000 -0.0000000), wk = 0.0027548 k( 37) = ( 0.3673469 0.0000000 0.0000000), wk = 0.0027548 k( 38) = ( 0.3775510 0.0000000 -0.0000000), wk = 0.0027548 k( 39) = ( 0.3877551 0.0000000 -0.0000000), wk = 0.0027548 k( 40) = ( 0.3979592 0.0000000 -0.0000000), wk = 0.0027548 k( 41) = ( 0.4081633 0.0000000 -0.0000000), wk = 0.0027548 k( 42) = ( 0.4183674 0.0000000 -0.0000000), wk = 0.0027548 k( 43) = ( 0.4285714 0.0000000 0.0000000), wk = 0.0027548 k( 44) = ( 0.4387755 0.0000000 -0.0000000), wk = 0.0027548 k( 45) = ( 0.4489796 0.0000000 0.0000000), wk = 0.0027548 k( 46) = ( 0.4591837 0.0000000 -0.0000000), wk = 0.0027548 k( 47) = ( 0.4693878 0.0000000 -0.0000000), wk = 0.0027548 k( 48) = ( 0.4795918 0.0000000 -0.0000000), wk = 0.0027548 k( 49) = ( 0.4897959 0.0000000 -0.0000000), wk = 0.0027548 k( 50) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0027548 k( 51) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0027548 k( 52) = ( 0.4942529 0.0114943 -0.0000000), wk = 0.0027548 k( 53) = ( 0.4885058 0.0229885 -0.0000000), wk = 0.0027548 k( 54) = ( 0.4827586 0.0344828 -0.0000000), wk = 0.0027548 k( 55) = ( 0.4770115 0.0459770 -0.0000000), wk = 0.0027548 k( 56) = ( 0.4712644 0.0574713 -0.0000000), wk = 0.0027548 k( 57) = ( 0.4655172 0.0689655 0.0000000), wk = 0.0027548 k( 58) = ( 0.4597701 0.0804598 -0.0000000), wk = 0.0027548 k( 59) = ( 0.4540230 0.0919540 -0.0000000), wk = 0.0027548 k( 60) = ( 0.4482759 0.1034483 -0.0000000), wk = 0.0027548 k( 61) = ( 0.4425287 0.1149425 -0.0000000), wk = 0.0027548 k( 62) = ( 0.4367816 0.1264368 -0.0000000), wk = 0.0027548 k( 63) = ( 0.4310345 0.1379310 -0.0000000), wk = 0.0027548 k( 64) = ( 0.4252874 0.1494253 -0.0000000), wk = 0.0027548 k( 65) = ( 0.4195402 0.1609195 -0.0000000), wk = 0.0027548 k( 66) = ( 0.4137931 0.1724138 -0.0000000), wk = 0.0027548 k( 67) = ( 0.4080460 0.1839080 -0.0000000), wk = 0.0027548 k( 68) = ( 0.4022988 0.1954023 -0.0000000), wk = 0.0027548 k( 69) = ( 0.3965517 0.2068966 0.0000000), wk = 0.0027548 k( 70) = ( 0.3908046 0.2183908 -0.0000000), wk = 0.0027548 k( 71) = ( 0.3850575 0.2298851 0.0000000), wk = 0.0027548 k( 72) = ( 0.3793103 0.2413793 -0.0000000), wk = 0.0027548 k( 73) = ( 0.3735632 0.2528736 -0.0000000), wk = 0.0027548 k( 74) = ( 0.3678161 0.2643678 0.0000000), wk = 0.0027548 k( 75) = ( 0.3620690 0.2758621 -0.0000000), wk = 0.0027548 k( 76) = ( 0.3563218 0.2873563 -0.0000000), wk = 0.0027548 k( 77) = ( 0.3505747 0.2988506 -0.0000000), wk = 0.0027548 k( 78) = ( 0.3448276 0.3103448 0.0000000), wk = 0.0027548 k( 79) = ( 0.3390805 0.3218391 -0.0000000), wk = 0.0027548 k( 80) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0027548 k( 81) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0027548 k( 82) = ( 0.3274854 0.3274854 -0.0000000), wk = 0.0027548 k( 83) = ( 0.3216374 0.3216374 -0.0000000), wk = 0.0027548 k( 84) = ( 0.3157895 0.3157895 0.0000000), wk = 0.0027548 k( 85) = ( 0.3099415 0.3099415 -0.0000000), wk = 0.0027548 k( 86) = ( 0.3040936 0.3040936 -0.0000000), wk = 0.0027548 k( 87) = ( 0.2982456 0.2982456 -0.0000000), wk = 0.0027548 k( 88) = ( 0.2923977 0.2923977 0.0000000), wk = 0.0027548 k( 89) = ( 0.2865497 0.2865497 -0.0000000), wk = 0.0027548 k( 90) = ( 0.2807018 0.2807018 -0.0000000), wk = 0.0027548 k( 91) = ( 0.2748538 0.2748538 0.0000000), wk = 0.0027548 k( 92) = ( 0.2690058 0.2690058 -0.0000000), wk = 0.0027548 k( 93) = ( 0.2631579 0.2631579 0.0000000), wk = 0.0027548 k( 94) = ( 0.2573099 0.2573099 -0.0000000), wk = 0.0027548 k( 95) = ( 0.2514620 0.2514620 0.0000000), wk = 0.0027548 k( 96) = ( 0.2456140 0.2456140 -0.0000000), wk = 0.0027548 k( 97) = ( 0.2397661 0.2397661 -0.0000000), wk = 0.0027548 k( 98) = ( 0.2339181 0.2339181 0.0000000), wk = 0.0027548 k( 99) = ( 0.2280702 0.2280702 0.0000000), wk = 0.0027548 k( 100) = ( 0.2222222 0.2222222 -0.0000000), wk = 0.0027548 k( 101) = ( 0.2163743 0.2163743 -0.0000000), wk = 0.0027548 k( 102) = ( 0.2105263 0.2105263 -0.0000000), wk = 0.0027548 k( 103) = ( 0.2046784 0.2046784 0.0000000), wk = 0.0027548 k( 104) = ( 0.1988304 0.1988304 -0.0000000), wk = 0.0027548 k( 105) = ( 0.1929825 0.1929825 -0.0000000), wk = 0.0027548 k( 106) = ( 0.1871345 0.1871345 -0.0000000), wk = 0.0027548 k( 107) = ( 0.1812865 0.1812866 -0.0000000), wk = 0.0027548 k( 108) = ( 0.1754386 0.1754386 -0.0000000), wk = 0.0027548 k( 109) = ( 0.1695906 0.1695906 0.0000000), wk = 0.0027548 k( 110) = ( 0.1637427 0.1637427 -0.0000000), wk = 0.0027548 k( 111) = ( 0.1578947 0.1578947 -0.0000000), wk = 0.0027548 k( 112) = ( 0.1520468 0.1520468 -0.0000000), wk = 0.0027548 k( 113) = ( 0.1461988 0.1461988 0.0000000), wk = 0.0027548 k( 114) = ( 0.1403509 0.1403509 -0.0000000), wk = 0.0027548 k( 115) = ( 0.1345029 0.1345029 -0.0000000), wk = 0.0027548 k( 116) = ( 0.1286550 0.1286550 -0.0000000), wk = 0.0027548 k( 117) = ( 0.1228070 0.1228070 -0.0000000), wk = 0.0027548 k( 118) = ( 0.1169591 0.1169591 -0.0000000), wk = 0.0027548 k( 119) = ( 0.1111111 0.1111111 -0.0000000), wk = 0.0027548 k( 120) = ( 0.1052632 0.1052632 -0.0000000), wk = 0.0027548 k( 121) = ( 0.0994152 0.0994152 -0.0000000), wk = 0.0027548 k( 122) = ( 0.0935673 0.0935673 -0.0000000), wk = 0.0027548 k( 123) = ( 0.0877193 0.0877193 -0.0000000), wk = 0.0027548 k( 124) = ( 0.0818713 0.0818714 -0.0000000), wk = 0.0027548 k( 125) = ( 0.0760234 0.0760234 -0.0000000), wk = 0.0027548 k( 126) = ( 0.0701754 0.0701754 -0.0000000), wk = 0.0027548 k( 127) = ( 0.0643275 0.0643275 -0.0000000), wk = 0.0027548 k( 128) = ( 0.0584795 0.0584795 -0.0000000), wk = 0.0027548 k( 129) = ( 0.0526316 0.0526316 -0.0000000), wk = 0.0027548 k( 130) = ( 0.0467836 0.0467836 -0.0000000), wk = 0.0027548 k( 131) = ( 0.0409357 0.0409357 -0.0000000), wk = 0.0027548 k( 132) = ( 0.0350877 0.0350877 -0.0000000), wk = 0.0027548 k( 133) = ( 0.0292398 0.0292398 -0.0000000), wk = 0.0027548 k( 134) = ( 0.0233918 0.0233918 -0.0000000), wk = 0.0027548 k( 135) = ( 0.0175439 0.0175439 -0.0000000), wk = 0.0027548 k( 136) = ( 0.0116959 0.0116959 0.0000000), wk = 0.0027548 k( 137) = ( 0.0058480 0.0058480 -0.0000000), wk = 0.0027548 k( 138) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027548 k( 139) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027548 k( 140) = ( 0.0000000 0.0000000 0.0178571), wk = 0.0027548 k( 141) = ( 0.0000000 0.0000000 0.0357143), wk = 0.0027548 k( 142) = ( 0.0000000 0.0000000 0.0535714), wk = 0.0027548 k( 143) = ( 0.0000000 0.0000000 0.0714286), wk = 0.0027548 k( 144) = ( 0.0000000 0.0000000 0.0892857), wk = 0.0027548 k( 145) = ( 0.0000000 0.0000000 0.1071429), wk = 0.0027548 k( 146) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0027548 k( 147) = ( 0.0000000 0.0000000 0.1428571), wk = 0.0027548 k( 148) = ( 0.0000000 0.0000000 0.1607143), wk = 0.0027548 k( 149) = ( 0.0000000 0.0000000 0.1785714), wk = 0.0027548 k( 150) = ( 0.0000000 0.0000000 0.1964286), wk = 0.0027548 k( 151) = ( 0.0000000 0.0000000 0.2142857), wk = 0.0027548 k( 152) = ( 0.0000000 0.0000000 0.2321429), wk = 0.0027548 k( 153) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0027548 k( 154) = ( 0.0000000 0.0000000 0.2678571), wk = 0.0027548 k( 155) = ( 0.0000000 0.0000000 0.2857143), wk = 0.0027548 k( 156) = ( 0.0000000 0.0000000 0.3035714), wk = 0.0027548 k( 157) = ( 0.0000000 0.0000000 0.3214286), wk = 0.0027548 k( 158) = ( 0.0000000 0.0000000 0.3392857), wk = 0.0027548 k( 159) = ( 0.0000000 0.0000000 0.3571429), wk = 0.0027548 k( 160) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0027548 k( 161) = ( 0.0000000 0.0000000 0.3928571), wk = 0.0027548 k( 162) = ( 0.0000000 0.0000000 0.4107143), wk = 0.0027548 k( 163) = ( 0.0000000 0.0000000 0.4285714), wk = 0.0027548 k( 164) = ( 0.0000000 0.0000000 0.4464286), wk = 0.0027548 k( 165) = ( 0.0000000 0.0000000 0.4642857), wk = 0.0027548 k( 166) = ( 0.0000000 0.0000000 0.4821429), wk = 0.0027548 k( 167) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0027548 k( 168) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0027548 k( 169) = ( 0.0102041 0.0000000 0.5000000), wk = 0.0027548 k( 170) = ( 0.0204082 0.0000000 0.5000000), wk = 0.0027548 k( 171) = ( 0.0306122 0.0000000 0.5000000), wk = 0.0027548 k( 172) = ( 0.0408163 0.0000000 0.5000000), wk = 0.0027548 k( 173) = ( 0.0510204 0.0000000 0.5000000), wk = 0.0027548 k( 174) = ( 0.0612245 0.0000000 0.5000000), wk = 0.0027548 k( 175) = ( 0.0714286 0.0000000 0.5000000), wk = 0.0027548 k( 176) = ( 0.0816327 0.0000000 0.5000000), wk = 0.0027548 k( 177) = ( 0.0918367 0.0000000 0.5000000), wk = 0.0027548 k( 178) = ( 0.1020408 0.0000000 0.5000000), wk = 0.0027548 k( 179) = ( 0.1122449 -0.0000000 0.5000000), wk = 0.0027548 k( 180) = ( 0.1224490 0.0000000 0.5000000), wk = 0.0027548 k( 181) = ( 0.1326531 -0.0000000 0.5000000), wk = 0.0027548 k( 182) = ( 0.1428571 0.0000000 0.5000000), wk = 0.0027548 k( 183) = ( 0.1530612 0.0000000 0.5000000), wk = 0.0027548 k( 184) = ( 0.1632653 0.0000000 0.5000000), wk = 0.0027548 k( 185) = ( 0.1734694 0.0000000 0.5000000), wk = 0.0027548 k( 186) = ( 0.1836735 0.0000000 0.5000000), wk = 0.0027548 k( 187) = ( 0.1938776 0.0000000 0.5000000), wk = 0.0027548 k( 188) = ( 0.2040816 0.0000000 0.5000000), wk = 0.0027548 k( 189) = ( 0.2142857 0.0000000 0.5000000), wk = 0.0027548 k( 190) = ( 0.2244898 -0.0000000 0.5000000), wk = 0.0027548 k( 191) = ( 0.2346939 0.0000000 0.5000000), wk = 0.0027548 k( 192) = ( 0.2448980 0.0000000 0.5000000), wk = 0.0027548 k( 193) = ( 0.2551020 0.0000000 0.5000000), wk = 0.0027548 k( 194) = ( 0.2653061 -0.0000000 0.5000000), wk = 0.0027548 k( 195) = ( 0.2755102 0.0000000 0.5000000), wk = 0.0027548 k( 196) = ( 0.2857143 0.0000000 0.5000000), wk = 0.0027548 k( 197) = ( 0.2959184 0.0000000 0.5000000), wk = 0.0027548 k( 198) = ( 0.3061224 0.0000000 0.5000000), wk = 0.0027548 k( 199) = ( 0.3163265 0.0000000 0.5000000), wk = 0.0027548 k( 200) = ( 0.3265306 0.0000000 0.5000000), wk = 0.0027548 k( 201) = ( 0.3367347 0.0000000 0.5000000), wk = 0.0027548 k( 202) = ( 0.3469388 0.0000000 0.5000000), wk = 0.0027548 k( 203) = ( 0.3571429 0.0000000 0.5000000), wk = 0.0027548 k( 204) = ( 0.3673469 0.0000000 0.5000000), wk = 0.0027548 k( 205) = ( 0.3775510 0.0000000 0.5000000), wk = 0.0027548 k( 206) = ( 0.3877551 0.0000000 0.5000000), wk = 0.0027548 k( 207) = ( 0.3979592 0.0000000 0.5000000), wk = 0.0027548 k( 208) = ( 0.4081633 0.0000000 0.5000000), wk = 0.0027548 k( 209) = ( 0.4183674 0.0000000 0.5000000), wk = 0.0027548 k( 210) = ( 0.4285714 0.0000000 0.5000000), wk = 0.0027548 k( 211) = ( 0.4387755 0.0000000 0.5000000), wk = 0.0027548 k( 212) = ( 0.4489796 0.0000000 0.5000000), wk = 0.0027548 k( 213) = ( 0.4591837 0.0000000 0.5000000), wk = 0.0027548 k( 214) = ( 0.4693878 0.0000000 0.5000000), wk = 0.0027548 k( 215) = ( 0.4795918 0.0000000 0.5000000), wk = 0.0027548 k( 216) = ( 0.4897959 0.0000000 0.5000000), wk = 0.0027548 k( 217) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0027548 k( 218) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0027548 k( 219) = ( 0.4942529 0.0114943 0.5000000), wk = 0.0027548 k( 220) = ( 0.4885058 0.0229885 0.5000000), wk = 0.0027548 k( 221) = ( 0.4827586 0.0344828 0.5000000), wk = 0.0027548 k( 222) = ( 0.4770115 0.0459770 0.5000000), wk = 0.0027548 k( 223) = ( 0.4712644 0.0574713 0.5000000), wk = 0.0027548 k( 224) = ( 0.4655172 0.0689655 0.5000000), wk = 0.0027548 k( 225) = ( 0.4597701 0.0804598 0.5000000), wk = 0.0027548 k( 226) = ( 0.4540230 0.0919540 0.5000000), wk = 0.0027548 k( 227) = ( 0.4482759 0.1034483 0.5000000), wk = 0.0027548 k( 228) = ( 0.4425287 0.1149425 0.5000000), wk = 0.0027548 k( 229) = ( 0.4367816 0.1264368 0.5000000), wk = 0.0027548 k( 230) = ( 0.4310345 0.1379310 0.5000000), wk = 0.0027548 k( 231) = ( 0.4252874 0.1494253 0.5000000), wk = 0.0027548 k( 232) = ( 0.4195402 0.1609195 0.5000000), wk = 0.0027548 k( 233) = ( 0.4137931 0.1724138 0.5000000), wk = 0.0027548 k( 234) = ( 0.4080460 0.1839080 0.5000000), wk = 0.0027548 k( 235) = ( 0.4022988 0.1954023 0.5000000), wk = 0.0027548 k( 236) = ( 0.3965517 0.2068966 0.5000000), wk = 0.0027548 k( 237) = ( 0.3908046 0.2183908 0.5000000), wk = 0.0027548 k( 238) = ( 0.3850575 0.2298851 0.5000000), wk = 0.0027548 k( 239) = ( 0.3793103 0.2413793 0.5000000), wk = 0.0027548 k( 240) = ( 0.3735632 0.2528736 0.5000000), wk = 0.0027548 k( 241) = ( 0.3678161 0.2643678 0.5000000), wk = 0.0027548 k( 242) = ( 0.3620690 0.2758621 0.5000000), wk = 0.0027548 k( 243) = ( 0.3563218 0.2873563 0.5000000), wk = 0.0027548 k( 244) = ( 0.3505747 0.2988506 0.5000000), wk = 0.0027548 k( 245) = ( 0.3448276 0.3103448 0.5000000), wk = 0.0027548 k( 246) = ( 0.3390805 0.3218391 0.5000000), wk = 0.0027548 k( 247) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0027548 k( 248) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0027548 k( 249) = ( 0.3274854 0.3274854 0.5000000), wk = 0.0027548 k( 250) = ( 0.3216374 0.3216374 0.5000000), wk = 0.0027548 k( 251) = ( 0.3157895 0.3157895 0.5000000), wk = 0.0027548 k( 252) = ( 0.3099415 0.3099415 0.5000000), wk = 0.0027548 k( 253) = ( 0.3040936 0.3040936 0.5000000), wk = 0.0027548 k( 254) = ( 0.2982456 0.2982456 0.5000000), wk = 0.0027548 k( 255) = ( 0.2923977 0.2923977 0.5000000), wk = 0.0027548 k( 256) = ( 0.2865497 0.2865497 0.5000000), wk = 0.0027548 k( 257) = ( 0.2807018 0.2807018 0.5000000), wk = 0.0027548 k( 258) = ( 0.2748538 0.2748538 0.5000000), wk = 0.0027548 k( 259) = ( 0.2690058 0.2690058 0.5000000), wk = 0.0027548 k( 260) = ( 0.2631579 0.2631579 0.5000000), wk = 0.0027548 k( 261) = ( 0.2573099 0.2573099 0.5000000), wk = 0.0027548 k( 262) = ( 0.2514620 0.2514620 0.5000000), wk = 0.0027548 k( 263) = ( 0.2456140 0.2456140 0.5000000), wk = 0.0027548 k( 264) = ( 0.2397661 0.2397661 0.5000000), wk = 0.0027548 k( 265) = ( 0.2339181 0.2339181 0.5000000), wk = 0.0027548 k( 266) = ( 0.2280702 0.2280702 0.5000000), wk = 0.0027548 k( 267) = ( 0.2222222 0.2222222 0.5000000), wk = 0.0027548 k( 268) = ( 0.2163743 0.2163743 0.5000000), wk = 0.0027548 k( 269) = ( 0.2105263 0.2105263 0.5000000), wk = 0.0027548 k( 270) = ( 0.2046784 0.2046784 0.5000000), wk = 0.0027548 k( 271) = ( 0.1988304 0.1988304 0.5000000), wk = 0.0027548 k( 272) = ( 0.1929825 0.1929825 0.5000000), wk = 0.0027548 k( 273) = ( 0.1871345 0.1871345 0.5000000), wk = 0.0027548 k( 274) = ( 0.1812865 0.1812866 0.5000000), wk = 0.0027548 k( 275) = ( 0.1754386 0.1754386 0.5000000), wk = 0.0027548 k( 276) = ( 0.1695906 0.1695906 0.5000000), wk = 0.0027548 k( 277) = ( 0.1637427 0.1637427 0.5000000), wk = 0.0027548 k( 278) = ( 0.1578947 0.1578947 0.5000000), wk = 0.0027548 k( 279) = ( 0.1520468 0.1520468 0.5000000), wk = 0.0027548 k( 280) = ( 0.1461988 0.1461988 0.5000000), wk = 0.0027548 k( 281) = ( 0.1403509 0.1403509 0.5000000), wk = 0.0027548 k( 282) = ( 0.1345029 0.1345029 0.5000000), wk = 0.0027548 k( 283) = ( 0.1286550 0.1286550 0.5000000), wk = 0.0027548 k( 284) = ( 0.1228070 0.1228070 0.5000000), wk = 0.0027548 k( 285) = ( 0.1169591 0.1169591 0.5000000), wk = 0.0027548 k( 286) = ( 0.1111111 0.1111111 0.5000000), wk = 0.0027548 k( 287) = ( 0.1052632 0.1052632 0.5000000), wk = 0.0027548 k( 288) = ( 0.0994152 0.0994152 0.5000000), wk = 0.0027548 k( 289) = ( 0.0935673 0.0935673 0.5000000), wk = 0.0027548 k( 290) = ( 0.0877193 0.0877193 0.5000000), wk = 0.0027548 k( 291) = ( 0.0818713 0.0818714 0.5000000), wk = 0.0027548 k( 292) = ( 0.0760234 0.0760234 0.5000000), wk = 0.0027548 k( 293) = ( 0.0701754 0.0701754 0.5000000), wk = 0.0027548 k( 294) = ( 0.0643275 0.0643275 0.5000000), wk = 0.0027548 k( 295) = ( 0.0584795 0.0584795 0.5000000), wk = 0.0027548 k( 296) = ( 0.0526316 0.0526316 0.5000000), wk = 0.0027548 k( 297) = ( 0.0467836 0.0467836 0.5000000), wk = 0.0027548 k( 298) = ( 0.0409357 0.0409357 0.5000000), wk = 0.0027548 k( 299) = ( 0.0350877 0.0350877 0.5000000), wk = 0.0027548 k( 300) = ( 0.0292398 0.0292398 0.5000000), wk = 0.0027548 k( 301) = ( 0.0233918 0.0233918 0.5000000), wk = 0.0027548 k( 302) = ( 0.0175439 0.0175439 0.5000000), wk = 0.0027548 k( 303) = ( 0.0116959 0.0116959 0.5000000), wk = 0.0027548 k( 304) = ( 0.0058480 0.0058480 0.5000000), wk = 0.0027548 k( 305) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0027548 k( 306) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0027548 k( 307) = ( 0.5000000 0.0000000 0.4821429), wk = 0.0027548 k( 308) = ( 0.5000000 0.0000000 0.4642857), wk = 0.0027548 k( 309) = ( 0.5000000 0.0000000 0.4464286), wk = 0.0027548 k( 310) = ( 0.5000000 0.0000000 0.4285714), wk = 0.0027548 k( 311) = ( 0.5000000 0.0000000 0.4107143), wk = 0.0027548 k( 312) = ( 0.5000000 0.0000000 0.3928571), wk = 0.0027548 k( 313) = ( 0.5000000 0.0000000 0.3750000), wk = 0.0027548 k( 314) = ( 0.5000000 0.0000000 0.3571429), wk = 0.0027548 k( 315) = ( 0.5000000 0.0000000 0.3392857), wk = 0.0027548 k( 316) = ( 0.5000000 0.0000000 0.3214286), wk = 0.0027548 k( 317) = ( 0.5000000 0.0000000 0.3035714), wk = 0.0027548 k( 318) = ( 0.5000000 0.0000000 0.2857143), wk = 0.0027548 k( 319) = ( 0.5000000 0.0000000 0.2678571), wk = 0.0027548 k( 320) = ( 0.5000000 0.0000000 0.2500000), wk = 0.0027548 k( 321) = ( 0.5000000 0.0000000 0.2321429), wk = 0.0027548 k( 322) = ( 0.5000000 0.0000000 0.2142857), wk = 0.0027548 k( 323) = ( 0.5000000 0.0000000 0.1964286), wk = 0.0027548 k( 324) = ( 0.5000000 0.0000000 0.1785714), wk = 0.0027548 k( 325) = ( 0.5000000 0.0000000 0.1607143), wk = 0.0027548 k( 326) = ( 0.5000000 0.0000000 0.1428571), wk = 0.0027548 k( 327) = ( 0.5000000 0.0000000 0.1250000), wk = 0.0027548 k( 328) = ( 0.5000000 0.0000000 0.1071429), wk = 0.0027548 k( 329) = ( 0.5000000 0.0000000 0.0892857), wk = 0.0027548 k( 330) = ( 0.5000000 0.0000000 0.0714286), wk = 0.0027548 k( 331) = ( 0.5000000 0.0000000 0.0535714), wk = 0.0027548 k( 332) = ( 0.5000000 0.0000000 0.0357143), wk = 0.0027548 k( 333) = ( 0.5000000 0.0000000 0.0178571), wk = 0.0027548 k( 334) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0027548 k( 335) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0027548 k( 336) = ( 0.3333333 0.3333333 0.0178571), wk = 0.0027548 k( 337) = ( 0.3333333 0.3333333 0.0357143), wk = 0.0027548 k( 338) = ( 0.3333333 0.3333333 0.0535714), wk = 0.0027548 k( 339) = ( 0.3333333 0.3333333 0.0714286), wk = 0.0027548 k( 340) = ( 0.3333333 0.3333333 0.0892857), wk = 0.0027548 k( 341) = ( 0.3333333 0.3333333 0.1071429), wk = 0.0027548 k( 342) = ( 0.3333333 0.3333333 0.1250000), wk = 0.0027548 k( 343) = ( 0.3333333 0.3333333 0.1428571), wk = 0.0027548 k( 344) = ( 0.3333333 0.3333333 0.1607143), wk = 0.0027548 k( 345) = ( 0.3333333 0.3333333 0.1785714), wk = 0.0027548 k( 346) = ( 0.3333333 0.3333333 0.1964286), wk = 0.0027548 k( 347) = ( 0.3333333 0.3333333 0.2142857), wk = 0.0027548 k( 348) = ( 0.3333333 0.3333333 0.2321429), wk = 0.0027548 k( 349) = ( 0.3333333 0.3333333 0.2500000), wk = 0.0027548 k( 350) = ( 0.3333333 0.3333333 0.2678571), wk = 0.0027548 k( 351) = ( 0.3333333 0.3333333 0.2857143), wk = 0.0027548 k( 352) = ( 0.3333333 0.3333333 0.3035714), wk = 0.0027548 k( 353) = ( 0.3333333 0.3333333 0.3214286), wk = 0.0027548 k( 354) = ( 0.3333333 0.3333333 0.3392857), wk = 0.0027548 k( 355) = ( 0.3333333 0.3333333 0.3571429), wk = 0.0027548 k( 356) = ( 0.3333333 0.3333333 0.3750000), wk = 0.0027548 k( 357) = ( 0.3333333 0.3333333 0.3928571), wk = 0.0027548 k( 358) = ( 0.3333333 0.3333333 0.4107143), wk = 0.0027548 k( 359) = ( 0.3333333 0.3333333 0.4285714), wk = 0.0027548 k( 360) = ( 0.3333333 0.3333333 0.4464286), wk = 0.0027548 k( 361) = ( 0.3333333 0.3333333 0.4642857), wk = 0.0027548 k( 362) = ( 0.3333333 0.3333333 0.4821429), wk = 0.0027548 k( 363) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0027548 Dense grid: 44149 G-vectors FFT dimensions: ( 40, 40, 64) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.23 Mb ( 308, 48) NL pseudopotentials 0.23 Mb ( 154, 96) Each V/rho on FFT grid 0.05 Mb ( 3200) Each G-vector array 0.01 Mb ( 1230) G-vector shells 0.00 Mb ( 579) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.90 Mb ( 308, 192) Each subspace H/S matrix 0.04 Mb ( 48, 48) Each matrix 0.14 Mb ( 96, 2, 48) The potential is recalculated from file : ./MnAs.save/charge-density.dat Starting wfc are 56 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 1.2 secs Computing kpt #: 2 total cpu time spent up to now is 1.5 secs Computing kpt #: 3 total cpu time spent up to now is 1.8 secs Computing kpt #: 4 total cpu time spent up to now is 2.1 secs Computing kpt #: 5 total cpu time spent up to now is 2.4 secs Computing kpt #: 6 total cpu time spent up to now is 2.6 secs Computing kpt #: 7 total cpu time spent up to now is 2.9 secs Computing kpt #: 8 total cpu time spent up to now is 3.2 secs Computing kpt #: 9 total cpu time spent up to now is 3.5 secs Computing kpt #: 10 total cpu time spent up to now is 3.8 secs Computing kpt #: 11 total cpu time spent up to now is 4.1 secs Computing kpt #: 12 total cpu time spent up to now is 4.4 secs Computing kpt #: 13 total cpu time spent up to now is 4.7 secs Computing kpt #: 14 total cpu time spent up to now is 5.1 secs Computing kpt #: 15 total cpu time spent up to now is 5.4 secs Computing kpt #: 16 total cpu time spent up to now is 5.8 secs Computing kpt #: 17 total cpu time spent up to now is 6.1 secs Computing kpt #: 18 total cpu time spent up to now is 6.5 secs Computing kpt #: 19 total cpu time spent up to now is 6.9 secs Computing kpt #: 20 total cpu time spent up to now is 7.3 secs Computing kpt #: 21 total cpu time spent up to now is 7.6 secs Computing kpt #: 22 total cpu time spent up to now is 8.0 secs Computing kpt #: 23 total cpu time spent up to now is 8.3 secs Computing kpt #: 24 total cpu time spent up to now is 8.6 secs Computing kpt #: 25 total cpu time spent up to now is 8.9 secs Computing kpt #: 26 total cpu time spent up to now is 9.2 secs Computing kpt #: 27 total cpu time spent up to now is 9.5 secs Computing kpt #: 28 total cpu time spent up to now is 9.9 secs Computing kpt #: 29 total cpu time spent up to now is 10.2 secs Computing kpt #: 30 total cpu time spent up to now is 10.5 secs Computing kpt #: 31 total cpu time spent up to now is 10.8 secs Computing kpt #: 32 total cpu time spent up to now is 11.1 secs Computing kpt #: 33 total cpu time spent up to now is 11.4 secs Computing kpt #: 34 total cpu time spent up to now is 11.7 secs Computing kpt #: 35 total cpu time spent up to now is 12.0 secs Computing kpt #: 36 total cpu time spent up to now is 12.4 secs Computing kpt #: 37 total cpu time spent up to now is 12.7 secs Computing kpt #: 38 total cpu time spent up to now is 13.0 secs Computing kpt #: 39 total cpu time spent up to now is 13.3 secs Computing kpt #: 40 total cpu time spent up to now is 13.6 secs Computing kpt #: 41 total cpu time spent up to now is 14.0 secs Computing kpt #: 42 total cpu time spent up to now is 14.3 secs Computing kpt #: 43 total cpu time spent up to now is 14.6 secs Computing kpt #: 44 total cpu time spent up to now is 14.9 secs Computing kpt #: 45 total cpu time spent up to now is 15.3 secs Computing kpt #: 46 total cpu time spent up to now is 15.6 secs Computing kpt #: 47 total cpu time spent up to now is 15.9 secs Computing kpt #: 48 total cpu time spent up to now is 16.2 secs Computing kpt #: 49 total cpu time spent up to now is 16.6 secs Computing kpt #: 50 total cpu time spent up to now is 16.9 secs Computing kpt #: 51 total cpu time spent up to now is 17.2 secs Computing kpt #: 52 total cpu time spent up to now is 17.6 secs Computing kpt #: 53 total cpu time spent up to now is 17.9 secs Computing kpt #: 54 total cpu time spent up to now is 18.2 secs Computing kpt #: 55 total cpu time spent up to now is 18.6 secs Computing kpt #: 56 total cpu time spent up to now is 18.9 secs Computing kpt #: 57 total cpu time spent up to now is 19.2 secs Computing kpt #: 58 total cpu time spent up to now is 19.5 secs Computing kpt #: 59 total cpu time spent up to now is 19.9 secs Computing kpt #: 60 total cpu time spent up to now is 20.2 secs Computing kpt #: 61 total cpu time spent up to now is 20.5 secs Computing kpt #: 62 total cpu time spent up to now is 20.8 secs Computing kpt #: 63 total cpu time spent up to now is 21.2 secs Computing kpt #: 64 total cpu time spent up to now is 21.5 secs Computing kpt #: 65 total cpu time spent up to now is 21.8 secs Computing kpt #: 66 total cpu time spent up to now is 22.2 secs Computing kpt #: 67 total cpu time spent up to now is 22.5 secs Computing kpt #: 68 total cpu time spent up to now is 22.9 secs Computing kpt #: 69 total cpu time spent up to now is 23.2 secs Computing kpt #: 70 total cpu time spent up to now is 23.6 secs Computing kpt #: 71 total cpu time spent up to now is 23.9 secs Computing kpt #: 72 total cpu time spent up to now is 24.3 secs Computing kpt #: 73 total cpu time spent up to now is 24.7 secs Computing kpt #: 74 total cpu time spent up to now is 25.1 secs Computing kpt #: 75 total cpu time spent up to now is 25.5 secs Computing kpt #: 76 total cpu time spent up to now is 25.9 secs Computing kpt #: 77 total cpu time spent up to now is 26.3 secs Computing kpt #: 78 total cpu time spent up to now is 26.7 secs Computing kpt #: 79 total cpu time spent up to now is 27.1 secs Computing kpt #: 80 total cpu time spent up to now is 27.4 secs Computing kpt #: 81 total cpu time spent up to now is 27.8 secs Computing kpt #: 82 total cpu time spent up to now is 28.2 secs Computing kpt #: 83 total cpu time spent up to now is 28.5 secs Computing kpt #: 84 total cpu time spent up to now is 28.9 secs Computing kpt #: 85 total cpu time spent up to now is 29.3 secs Computing kpt #: 86 total cpu time spent up to now is 29.7 secs Computing kpt #: 87 total cpu time spent up to now is 30.1 secs Computing kpt #: 88 total cpu time spent up to now is 30.6 secs Computing kpt #: 89 total cpu time spent up to now is 31.0 secs Computing kpt #: 90 total cpu time spent up to now is 31.4 secs Computing kpt #: 91 total cpu time spent up to now is 31.8 secs Computing kpt #: 92 total cpu time spent up to now is 32.2 secs Computing kpt #: 93 total cpu time spent up to now is 32.6 secs Computing kpt #: 94 total cpu time spent up to now is 33.0 secs Computing kpt #: 95 total cpu time spent up to now is 33.4 secs Computing kpt #: 96 total cpu time spent up to now is 33.8 secs Computing kpt #: 97 total cpu time spent up to now is 34.2 secs Computing kpt #: 98 total cpu time spent up to now is 34.6 secs Computing kpt #: 99 total cpu time spent up to now is 35.0 secs Computing kpt #: 100 total cpu time spent up to now is 35.4 secs Computing kpt #: 101 total cpu time spent up to now is 35.8 secs Computing kpt #: 102 total cpu time spent up to now is 36.1 secs Computing kpt #: 103 total cpu time spent up to now is 36.5 secs Computing kpt #: 104 total cpu time spent up to now is 36.9 secs Computing kpt #: 105 total cpu time spent up to now is 37.3 secs Computing kpt #: 106 total cpu time spent up to now is 37.7 secs Computing kpt #: 107 total cpu time spent up to now is 38.1 secs Computing kpt #: 108 total cpu time spent up to now is 38.5 secs Computing kpt #: 109 total cpu time spent up to now is 39.0 secs Computing kpt #: 110 total cpu time spent up to now is 39.3 secs Computing kpt #: 111 total cpu time spent up to now is 39.8 secs Computing kpt #: 112 total cpu time spent up to now is 40.2 secs Computing kpt #: 113 total cpu time spent up to now is 40.6 secs Computing kpt #: 114 total cpu time spent up to now is 41.0 secs Computing kpt #: 115 total cpu time spent up to now is 41.5 secs Computing kpt #: 116 total cpu time spent up to now is 41.9 secs Computing kpt #: 117 total cpu time spent up to now is 42.3 secs Computing kpt #: 118 total cpu time spent up to now is 42.7 secs Computing kpt #: 119 total cpu time spent up to now is 43.1 secs Computing kpt #: 120 total cpu time spent up to now is 43.4 secs Computing kpt #: 121 total cpu time spent up to now is 43.8 secs Computing kpt #: 122 total cpu time spent up to now is 44.1 secs Computing kpt #: 123 total cpu time spent up to now is 44.5 secs Computing kpt #: 124 total cpu time spent up to now is 44.8 secs Computing kpt #: 125 total cpu time spent up to now is 45.2 secs Computing kpt #: 126 total cpu time spent up to now is 45.5 secs Computing kpt #: 127 total cpu time spent up to now is 45.8 secs Computing kpt #: 128 total cpu time spent up to now is 46.1 secs Computing kpt #: 129 total cpu time spent up to now is 46.4 secs Computing kpt #: 130 total cpu time spent up to now is 46.7 secs Computing kpt #: 131 total cpu time spent up to now is 47.0 secs Computing kpt #: 132 total cpu time spent up to now is 47.3 secs Computing kpt #: 133 total cpu time spent up to now is 47.6 secs Computing kpt #: 134 total cpu time spent up to now is 47.8 secs Computing kpt #: 135 total cpu time spent up to now is 48.1 secs Computing kpt #: 136 total cpu time spent up to now is 48.4 secs Computing kpt #: 137 total cpu time spent up to now is 48.7 secs Computing kpt #: 138 total cpu time spent up to now is 48.9 secs Computing kpt #: 139 total cpu time spent up to now is 49.2 secs Computing kpt #: 140 total cpu time spent up to now is 49.5 secs Computing kpt #: 141 total cpu time spent up to now is 49.8 secs Computing kpt #: 142 total cpu time spent up to now is 50.1 secs Computing kpt #: 143 total cpu time spent up to now is 50.3 secs Computing kpt #: 144 total cpu time spent up to now is 50.6 secs Computing kpt #: 145 total cpu time spent up to now is 50.9 secs Computing kpt #: 146 total cpu time spent up to now is 51.2 secs Computing kpt #: 147 total cpu time spent up to now is 51.5 secs Computing kpt #: 148 total cpu time spent up to now is 51.7 secs Computing kpt #: 149 total cpu time spent up to now is 52.0 secs Computing kpt #: 150 total cpu time spent up to now is 52.3 secs Computing kpt #: 151 total cpu time spent up to now is 52.6 secs Computing kpt #: 152 total cpu time spent up to now is 52.9 secs Computing kpt #: 153 total cpu time spent up to now is 53.2 secs Computing kpt #: 154 total cpu time spent up to now is 53.4 secs Computing kpt #: 155 total cpu time spent up to now is 53.7 secs Computing kpt #: 156 total cpu time spent up to now is 54.0 secs Computing kpt #: 157 total cpu time spent up to now is 54.3 secs Computing kpt #: 158 total cpu time spent up to now is 54.5 secs Computing kpt #: 159 total cpu time spent up to now is 54.8 secs Computing kpt #: 160 total cpu time spent up to now is 55.1 secs Computing kpt #: 161 total cpu time spent up to now is 55.4 secs Computing kpt #: 162 total cpu time spent up to now is 55.7 secs Computing kpt #: 163 total cpu time spent up to now is 56.0 secs Computing kpt #: 164 total cpu time spent up to now is 56.3 secs Computing kpt #: 165 total cpu time spent up to now is 56.7 secs Computing kpt #: 166 total cpu time spent up to now is 57.1 secs Computing kpt #: 167 total cpu time spent up to now is 57.4 secs Computing kpt #: 168 total cpu time spent up to now is 57.8 secs Computing kpt #: 169 total cpu time spent up to now is 58.1 secs Computing kpt #: 170 total cpu time spent up to now is 58.4 secs Computing kpt #: 171 total cpu time spent up to now is 58.8 secs Computing kpt #: 172 total cpu time spent up to now is 59.1 secs Computing kpt #: 173 total cpu time spent up to now is 59.5 secs Computing kpt #: 174 total cpu time spent up to now is 59.8 secs Computing kpt #: 175 total cpu time spent up to now is 60.2 secs Computing kpt #: 176 total cpu time spent up to now is 60.5 secs Computing kpt #: 177 total cpu time spent up to now is 60.9 secs Computing kpt #: 178 total cpu time spent up to now is 61.2 secs Computing kpt #: 179 total cpu time spent up to now is 61.5 secs Computing kpt #: 180 total cpu time spent up to now is 61.9 secs Computing kpt #: 181 total cpu time spent up to now is 62.2 secs Computing kpt #: 182 total cpu time spent up to now is 62.5 secs Computing kpt #: 183 total cpu time spent up to now is 62.8 secs Computing kpt #: 184 total cpu time spent up to now is 63.2 secs Computing kpt #: 185 total cpu time spent up to now is 63.5 secs Computing kpt #: 186 total cpu time spent up to now is 63.8 secs Computing kpt #: 187 total cpu time spent up to now is 64.1 secs Computing kpt #: 188 total cpu time spent up to now is 64.4 secs Computing kpt #: 189 total cpu time spent up to now is 64.7 secs Computing kpt #: 190 total cpu time spent up to now is 65.1 secs Computing kpt #: 191 total cpu time spent up to now is 65.4 secs Computing kpt #: 192 total cpu time spent up to now is 65.7 secs Computing kpt #: 193 total cpu time spent up to now is 66.0 secs Computing kpt #: 194 total cpu time spent up to now is 66.3 secs Computing kpt #: 195 total cpu time spent up to now is 66.7 secs Computing kpt #: 196 total cpu time spent up to now is 67.0 secs Computing kpt #: 197 total cpu time spent up to now is 67.4 secs Computing kpt #: 198 total cpu time spent up to now is 67.7 secs Computing kpt #: 199 total cpu time spent up to now is 68.1 secs Computing kpt #: 200 total cpu time spent up to now is 68.4 secs Computing kpt #: 201 total cpu time spent up to now is 68.8 secs Computing kpt #: 202 total cpu time spent up to now is 69.2 secs Computing kpt #: 203 total cpu time spent up to now is 69.6 secs Computing kpt #: 204 total cpu time spent up to now is 70.0 secs Computing kpt #: 205 total cpu time spent up to now is 70.4 secs Computing kpt #: 206 total cpu time spent up to now is 70.8 secs Computing kpt #: 207 total cpu time spent up to now is 71.1 secs Computing kpt #: 208 total cpu time spent up to now is 71.5 secs Computing kpt #: 209 total cpu time spent up to now is 71.8 secs Computing kpt #: 210 total cpu time spent up to now is 72.2 secs Computing kpt #: 211 total cpu time spent up to now is 72.6 secs Computing kpt #: 212 total cpu time spent up to now is 72.9 secs Computing kpt #: 213 total cpu time spent up to now is 73.2 secs Computing kpt #: 214 total cpu time spent up to now is 73.6 secs Computing kpt #: 215 total cpu time spent up to now is 73.9 secs Computing kpt #: 216 total cpu time spent up to now is 74.3 secs Computing kpt #: 217 total cpu time spent up to now is 74.6 secs Computing kpt #: 218 total cpu time spent up to now is 75.0 secs Computing kpt #: 219 total cpu time spent up to now is 75.3 secs Computing kpt #: 220 total cpu time spent up to now is 75.7 secs Computing kpt #: 221 total cpu time spent up to now is 76.0 secs Computing kpt #: 222 total cpu time spent up to now is 76.4 secs Computing kpt #: 223 total cpu time spent up to now is 76.7 secs Computing kpt #: 224 total cpu time spent up to now is 77.1 secs Computing kpt #: 225 total cpu time spent up to now is 77.4 secs Computing kpt #: 226 total cpu time spent up to now is 77.7 secs Computing kpt #: 227 total cpu time spent up to now is 78.1 secs Computing kpt #: 228 total cpu time spent up to now is 78.4 secs Computing kpt #: 229 total cpu time spent up to now is 78.7 secs Computing kpt #: 230 total cpu time spent up to now is 79.1 secs Computing kpt #: 231 total cpu time spent up to now is 79.4 secs Computing kpt #: 232 total cpu time spent up to now is 79.7 secs Computing kpt #: 233 total cpu time spent up to now is 80.0 secs Computing kpt #: 234 total cpu time spent up to now is 80.3 secs Computing kpt #: 235 total cpu time spent up to now is 80.6 secs Computing kpt #: 236 total cpu time spent up to now is 80.9 secs Computing kpt #: 237 total cpu time spent up to now is 81.2 secs Computing kpt #: 238 total cpu time spent up to now is 81.5 secs Computing kpt #: 239 total cpu time spent up to now is 81.8 secs Computing kpt #: 240 total cpu time spent up to now is 82.0 secs Computing kpt #: 241 total cpu time spent up to now is 82.3 secs Computing kpt #: 242 total cpu time spent up to now is 82.6 secs Computing kpt #: 243 total cpu time spent up to now is 82.9 secs Computing kpt #: 244 total cpu time spent up to now is 83.1 secs Computing kpt #: 245 total cpu time spent up to now is 83.4 secs Computing kpt #: 246 total cpu time spent up to now is 83.7 secs Computing kpt #: 247 total cpu time spent up to now is 83.9 secs Computing kpt #: 248 total cpu time spent up to now is 84.2 secs Computing kpt #: 249 total cpu time spent up to now is 84.5 secs Computing kpt #: 250 total cpu time spent up to now is 84.7 secs Computing kpt #: 251 total cpu time spent up to now is 85.0 secs Computing kpt #: 252 total cpu time spent up to now is 85.3 secs Computing kpt #: 253 total cpu time spent up to now is 85.6 secs Computing kpt #: 254 total cpu time spent up to now is 85.9 secs Computing kpt #: 255 total cpu time spent up to now is 86.1 secs Computing kpt #: 256 total cpu time spent up to now is 86.4 secs Computing kpt #: 257 total cpu time spent up to now is 86.7 secs Computing kpt #: 258 total cpu time spent up to now is 87.0 secs Computing kpt #: 259 total cpu time spent up to now is 87.3 secs Computing kpt #: 260 total cpu time spent up to now is 87.5 secs Computing kpt #: 261 total cpu time spent up to now is 87.8 secs Computing kpt #: 262 total cpu time spent up to now is 88.1 secs Computing kpt #: 263 total cpu time spent up to now is 88.4 secs Computing kpt #: 264 total cpu time spent up to now is 88.7 secs Computing kpt #: 265 total cpu time spent up to now is 89.1 secs Computing kpt #: 266 total cpu time spent up to now is 89.4 secs Computing kpt #: 267 total cpu time spent up to now is 89.7 secs Computing kpt #: 268 total cpu time spent up to now is 90.0 secs Computing kpt #: 269 total cpu time spent up to now is 90.4 secs Computing kpt #: 270 total cpu time spent up to now is 90.7 secs Computing kpt #: 271 total cpu time spent up to now is 91.1 secs Computing kpt #: 272 total cpu time spent up to now is 91.4 secs Computing kpt #: 273 total cpu time spent up to now is 91.7 secs Computing kpt #: 274 total cpu time spent up to now is 92.1 secs Computing kpt #: 275 total cpu time spent up to now is 92.4 secs Computing kpt #: 276 total cpu time spent up to now is 92.8 secs Computing kpt #: 277 total cpu time spent up to now is 93.1 secs Computing kpt #: 278 total cpu time spent up to now is 93.4 secs Computing kpt #: 279 total cpu time spent up to now is 93.8 secs Computing kpt #: 280 total cpu time spent up to now is 94.2 secs Computing kpt #: 281 total cpu time spent up to now is 94.5 secs Computing kpt #: 282 total cpu time spent up to now is 94.8 secs Computing kpt #: 283 total cpu time spent up to now is 95.2 secs Computing kpt #: 284 total cpu time spent up to now is 95.5 secs Computing kpt #: 285 total cpu time spent up to now is 95.9 secs Computing kpt #: 286 total cpu time spent up to now is 96.2 secs Computing kpt #: 287 total cpu time spent up to now is 96.5 secs Computing kpt #: 288 total cpu time spent up to now is 96.9 secs Computing kpt #: 289 total cpu time spent up to now is 97.2 secs Computing kpt #: 290 total cpu time spent up to now is 97.6 secs Computing kpt #: 291 total cpu time spent up to now is 97.9 secs Computing kpt #: 292 total cpu time spent up to now is 98.2 secs Computing kpt #: 293 total cpu time spent up to now is 98.6 secs Computing kpt #: 294 total cpu time spent up to now is 98.9 secs Computing kpt #: 295 total cpu time spent up to now is 99.3 secs Computing kpt #: 296 total cpu time spent up to now is 99.6 secs Computing kpt #: 297 total cpu time spent up to now is 100.0 secs Computing kpt #: 298 total cpu time spent up to now is 100.3 secs Computing kpt #: 299 total cpu time spent up to now is 100.7 secs Computing kpt #: 300 total cpu time spent up to now is 101.0 secs Computing kpt #: 301 total cpu time spent up to now is 101.3 secs Computing kpt #: 302 total cpu time spent up to now is 101.7 secs Computing kpt #: 303 total cpu time spent up to now is 102.0 secs Computing kpt #: 304 total cpu time spent up to now is 102.4 secs Computing kpt #: 305 total cpu time spent up to now is 102.7 secs Computing kpt #: 306 total cpu time spent up to now is 103.1 secs Computing kpt #: 307 total cpu time spent up to now is 103.4 secs Computing kpt #: 308 total cpu time spent up to now is 103.8 secs Computing kpt #: 309 total cpu time spent up to now is 104.1 secs Computing kpt #: 310 total cpu time spent up to now is 104.6 secs Computing kpt #: 311 total cpu time spent up to now is 105.0 secs Computing kpt #: 312 total cpu time spent up to now is 105.5 secs Computing kpt #: 313 total cpu time spent up to now is 105.8 secs Computing kpt #: 314 total cpu time spent up to now is 106.1 secs Computing kpt #: 315 total cpu time spent up to now is 106.4 secs Computing kpt #: 316 total cpu time spent up to now is 106.7 secs Computing kpt #: 317 total cpu time spent up to now is 107.0 secs Computing kpt #: 318 total cpu time spent up to now is 107.3 secs Computing kpt #: 319 total cpu time spent up to now is 107.6 secs Computing kpt #: 320 total cpu time spent up to now is 107.9 secs Computing kpt #: 321 total cpu time spent up to now is 108.3 secs Computing kpt #: 322 total cpu time spent up to now is 108.6 secs Computing kpt #: 323 total cpu time spent up to now is 108.9 secs Computing kpt #: 324 total cpu time spent up to now is 109.2 secs Computing kpt #: 325 total cpu time spent up to now is 109.5 secs Computing kpt #: 326 total cpu time spent up to now is 109.8 secs Computing kpt #: 327 total cpu time spent up to now is 110.1 secs Computing kpt #: 328 total cpu time spent up to now is 110.5 secs Computing kpt #: 329 total cpu time spent up to now is 110.8 secs Computing kpt #: 330 total cpu time spent up to now is 111.1 secs Computing kpt #: 331 total cpu time spent up to now is 111.4 secs Computing kpt #: 332 total cpu time spent up to now is 111.8 secs Computing kpt #: 333 total cpu time spent up to now is 112.1 secs Computing kpt #: 334 total cpu time spent up to now is 112.4 secs Computing kpt #: 335 total cpu time spent up to now is 112.8 secs Computing kpt #: 336 total cpu time spent up to now is 113.2 secs Computing kpt #: 337 total cpu time spent up to now is 113.6 secs Computing kpt #: 338 total cpu time spent up to now is 114.0 secs Computing kpt #: 339 total cpu time spent up to now is 114.3 secs Computing kpt #: 340 total cpu time spent up to now is 114.7 secs Computing kpt #: 341 total cpu time spent up to now is 115.1 secs Computing kpt #: 342 total cpu time spent up to now is 115.5 secs Computing kpt #: 343 total cpu time spent up to now is 115.9 secs Computing kpt #: 344 total cpu time spent up to now is 116.3 secs Computing kpt #: 345 total cpu time spent up to now is 116.6 secs Computing kpt #: 346 total cpu time spent up to now is 117.0 secs Computing kpt #: 347 total cpu time spent up to now is 117.4 secs Computing kpt #: 348 total cpu time spent up to now is 117.7 secs Computing kpt #: 349 total cpu time spent up to now is 118.1 secs Computing kpt #: 350 total cpu time spent up to now is 118.4 secs Computing kpt #: 351 total cpu time spent up to now is 118.8 secs Computing kpt #: 352 total cpu time spent up to now is 119.1 secs Computing kpt #: 353 total cpu time spent up to now is 119.4 secs Computing kpt #: 354 total cpu time spent up to now is 119.8 secs Computing kpt #: 355 total cpu time spent up to now is 120.1 secs Computing kpt #: 356 total cpu time spent up to now is 120.4 secs Computing kpt #: 357 total cpu time spent up to now is 120.7 secs Computing kpt #: 358 total cpu time spent up to now is 121.0 secs Computing kpt #: 359 total cpu time spent up to now is 121.2 secs Computing kpt #: 360 total cpu time spent up to now is 121.5 secs Computing kpt #: 361 total cpu time spent up to now is 121.8 secs Computing kpt #: 362 total cpu time spent up to now is 122.1 secs Computing kpt #: 363 total cpu time spent up to now is 122.3 secs ethr = 2.50E-08, avg # of iterations = 13.7 total cpu time spent up to now is 122.3 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 5467 PWs) bands (ev): -67.5642 -67.5642 -67.5384 -67.5384 -37.3624 -37.3624 -37.3271 -37.3271 -36.2186 -36.2186 -36.1558 -36.1558 -36.0823 -36.0823 -36.0703 -36.0703 -1.9319 -1.9319 0.4733 0.4733 5.0862 5.0862 7.8393 7.8393 7.9171 7.9171 8.9614 8.9614 9.8495 9.8495 9.8520 9.8520 10.1388 10.1388 10.2025 10.2025 11.0192 11.0192 11.0564 11.0564 11.6046 11.6046 11.9029 11.9029 12.3586 12.3586 12.6499 12.6499 k = 0.0102 0.0059-0.0000 ( 5477 PWs) bands (ev): -67.5642 -67.5642 -67.5401 -67.5401 -37.3625 -37.3625 -37.3271 -37.3271 -36.2187 -36.2187 -36.1558 -36.1558 -36.0823 -36.0823 -36.0704 -36.0704 -1.9307 -1.9307 0.4736 0.4736 5.0869 5.0869 7.8379 7.8379 7.9157 7.9157 8.9609 8.9609 9.8415 9.8415 9.8486 9.8486 10.1351 10.1351 10.1992 10.1992 11.0187 11.0187 11.0558 11.0558 11.6026 11.6026 11.8996 11.8996 12.3476 12.3476 12.6536 12.6536 k = 0.0204 0.0118-0.0000 ( 5489 PWs) bands (ev): -67.5638 -67.5638 -67.5426 -67.5426 -37.3625 -37.3625 -37.3271 -37.3271 -36.2188 -36.2188 -36.1558 -36.1558 -36.0823 -36.0823 -36.0705 -36.0705 -1.9269 -1.9269 0.4744 0.4744 5.0910 5.0910 7.8354 7.8354 7.9138 7.9138 8.9593 8.9593 9.8266 9.8266 9.8398 9.8398 10.1247 10.1247 10.1906 10.1906 11.0171 11.0171 11.0548 11.0548 11.5965 11.5965 11.8903 11.8903 12.3413 12.3413 12.6646 12.6646 k = 0.0306 0.0177-0.0000 ( 5493 PWs) bands (ev): -67.5639 -67.5639 -67.5433 -67.5433 -37.3626 -37.3626 -37.3271 -37.3271 -36.2188 -36.2188 -36.1558 -36.1558 -36.0823 -36.0823 -36.0705 -36.0705 -1.9207 -1.9207 0.4758 0.4758 5.0984 5.0984 7.8339 7.8339 7.9129 7.9129 8.9581 8.9581 9.8131 9.8131 9.8311 9.8311 10.1136 10.1136 10.1839 10.1839 11.0111 11.0111 11.0485 11.0485 11.5853 11.5853 11.8764 11.8764 12.3348 12.3348 12.6829 12.6829 k = 0.0408 0.0236-0.0000 ( 5493 PWs) bands (ev): -67.5639 -67.5639 -67.5434 -67.5434 -37.3626 -37.3626 -37.3271 -37.3271 -36.2188 -36.2188 -36.1558 -36.1558 -36.0823 -36.0823 -36.0705 -36.0705 -1.9121 -1.9121 0.4778 0.4778 5.1090 5.1090 7.8304 7.8304 7.9110 7.9110 8.9579 8.9579 9.7928 9.7928 9.8191 9.8191 10.0978 10.0978 10.1817 10.1817 11.0070 11.0070 11.0433 11.0433 11.5676 11.5676 11.8600 11.8600 12.3327 12.3327 12.7081 12.7081 k = 0.0510 0.0295-0.0000 ( 5495 PWs) bands (ev): -67.5635 -67.5635 -67.5441 -67.5441 -37.3626 -37.3626 -37.3271 -37.3271 -36.2188 -36.2188 -36.1558 -36.1558 -36.0824 -36.0824 -36.0706 -36.0706 -1.9010 -1.9010 0.4803 0.4803 5.1226 5.1226 7.8260 7.8260 7.9107 7.9107 8.9533 8.9533 9.7667 9.7667 9.8064 9.8064 10.0728 10.0728 10.1778 10.1778 11.0021 11.0021 11.0395 11.0395 11.5423 11.5423 11.8437 11.8437 12.3266 12.3266 12.7397 12.7397 k = 0.0612 0.0353-0.0000 ( 5503 PWs) bands (ev): -67.5629 -67.5629 -67.5462 -67.5462 -37.3627 -37.3627 -37.3271 -37.3271 -36.2189 -36.2189 -36.1558 -36.1558 -36.0824 -36.0824 -36.0707 -36.0707 -1.8874 -1.8874 0.4833 0.4833 5.1388 5.1388 7.8194 7.8194 7.9086 7.9086 8.9468 8.9468 9.7358 9.7358 9.7818 9.7818 10.0375 10.0375 10.1787 10.1787 10.9971 10.9971 11.0369 11.0369 11.5090 11.5090 11.8290 11.8290 12.3174 12.3174 12.7770 12.7770 k = 0.0714 0.0412-0.0000 ( 5507 PWs) bands (ev): -67.5629 -67.5629 -67.5469 -67.5469 -37.3627 -37.3627 -37.3272 -37.3272 -36.2189 -36.2189 -36.1559 -36.1559 -36.0825 -36.0825 -36.0708 -36.0708 -1.8714 -1.8714 0.4868 0.4868 5.1584 5.1584 7.8109 7.8109 7.9081 7.9081 8.9359 8.9359 9.6985 9.6985 9.7620 9.7620 9.9973 9.9973 10.1838 10.1838 10.9909 10.9909 11.0343 11.0343 11.4683 11.4683 11.8168 11.8168 12.3105 12.3105 12.8196 12.8196 k = 0.0816 0.0471-0.0000 ( 5497 PWs) bands (ev): -67.5618 -67.5618 -67.5463 -67.5463 -37.3627 -37.3627 -37.3272 -37.3272 -36.2190 -36.2190 -36.1558 -36.1558 -36.0825 -36.0825 -36.0708 -36.0708 -1.8530 -1.8530 0.4908 0.4908 5.1809 5.1809 7.8009 7.8009 7.9084 7.9084 8.9225 8.9225 9.6576 9.6576 9.7399 9.7399 9.9644 9.9644 10.1929 10.1929 10.9921 10.9921 11.0380 11.0380 11.4222 11.4222 11.8067 11.8067 12.3086 12.3086 12.8681 12.8681 k = 0.0918 0.0530-0.0000 ( 5501 PWs) bands (ev): -67.5618 -67.5618 -67.5470 -67.5470 -37.3627 -37.3627 -37.3272 -37.3272 -36.2190 -36.2190 -36.1559 -36.1559 -36.0826 -36.0826 -36.0709 -36.0709 -1.8322 -1.8322 0.4952 0.4952 5.2062 5.2062 7.7873 7.7873 7.9088 7.9088 8.9042 8.9042 9.6087 9.6087 9.7146 9.7146 9.9210 9.9210 10.2002 10.2002 10.9849 10.9849 11.0359 11.0359 11.3723 11.3723 11.7980 11.7980 12.3023 12.3023 12.9199 12.9199 k = 0.1020 0.0589-0.0000 ( 5505 PWs) bands (ev): -67.5618 -67.5618 -67.5478 -67.5478 -37.3628 -37.3628 -37.3273 -37.3273 -36.2190 -36.2190 -36.1559 -36.1559 -36.0827 -36.0827 -36.0711 -36.0711 -1.8090 -1.8090 0.5001 0.5001 5.2347 5.2347 7.7726 7.7726 7.9092 7.9092 8.8815 8.8815 9.5595 9.5595 9.6873 9.6873 9.8723 9.8723 10.2066 10.2066 10.9800 10.9800 11.0342 11.0342 11.3221 11.3221 11.7891 11.7891 12.2927 12.2927 12.9748 12.9748 k = 0.1122 0.0648-0.0000 ( 5513 PWs) bands (ev): -67.5632 -67.5632 -67.5478 -67.5478 -37.3628 -37.3628 -37.3274 -37.3274 -36.2191 -36.2191 -36.1560 -36.1560 -36.0829 -36.0829 -36.0712 -36.0712 -1.7835 -1.7835 0.5054 0.5054 5.2661 5.2661 7.7549 7.7549 7.9103 7.9103 8.8460 8.8460 9.5078 9.5078 9.6588 9.6588 9.8231 9.8231 10.2177 10.2177 10.9679 10.9679 11.0318 11.0318 11.2708 11.2708 11.7795 11.7795 12.2857 12.2857 13.0320 13.0320 k = 0.1224 0.0707-0.0000 ( 5521 PWs) bands (ev): -67.5632 -67.5632 -67.5492 -67.5492 -37.3629 -37.3629 -37.3274 -37.3274 -36.2191 -36.2191 -36.1560 -36.1560 -36.0830 -36.0830 -36.0713 -36.0713 -1.7557 -1.7557 0.5110 0.5110 5.3003 5.3003 7.7353 7.7353 7.9131 7.9131 8.8084 8.8084 9.4566 9.4566 9.6303 9.6303 9.7712 9.7712 10.2177 10.2177 10.9592 10.9592 11.0294 11.0294 11.2223 11.2223 11.7695 11.7695 12.2716 12.2716 13.0912 13.0912 k = 0.1327 0.0766-0.0000 ( 5521 PWs) bands (ev): -67.5632 -67.5632 -67.5492 -67.5492 -37.3629 -37.3629 -37.3275 -37.3275 -36.2191 -36.2191 -36.1560 -36.1560 -36.0831 -36.0831 -36.0714 -36.0714 -1.7256 -1.7256 0.5169 0.5169 5.3374 5.3374 7.7136 7.7136 7.9165 7.9165 8.7615 8.7615 9.4078 9.4078 9.6014 9.6014 9.7187 9.7187 10.2309 10.2309 10.9506 10.9506 11.0280 11.0280 11.1769 11.1769 11.7579 11.7579 12.2628 12.2628 13.1517 13.1517 k = 0.1429 0.0825-0.0000 ( 5517 PWs) bands (ev): -67.5632 -67.5632 -67.5486 -67.5486 -37.3630 -37.3630 -37.3275 -37.3275 -36.2191 -36.2191 -36.1561 -36.1561 -36.0833 -36.0833 -36.0715 -36.0715 -1.6932 -1.6932 0.5231 0.5231 5.3773 5.3773 7.6895 7.6895 7.9201 7.9201 8.7043 8.7043 9.3633 9.3633 9.5715 9.5715 9.6674 9.6674 10.2489 10.2489 10.9424 10.9424 11.0271 11.0271 11.1353 11.1353 11.7442 11.7442 12.2566 12.2566 13.2134 13.2134 k = 0.1531 0.0884-0.0000 ( 5521 PWs) bands (ev): -67.5631 -67.5631 -67.5493 -67.5493 -37.3630 -37.3630 -37.3276 -37.3276 -36.2192 -36.2192 -36.1561 -36.1561 -36.0834 -36.0834 -36.0717 -36.0717 -1.6586 -1.6586 0.5295 0.5295 5.4200 5.4200 7.6624 7.6624 7.9238 7.9238 8.6362 8.6362 9.3223 9.3223 9.5407 9.5407 9.6126 9.6126 10.2600 10.2600 10.9332 10.9332 11.0256 11.0256 11.0969 11.0969 11.7282 11.7282 12.2452 12.2452 13.2735 13.2735 k = 0.1633 0.0943-0.0000 ( 5517 PWs) bands (ev): -67.5624 -67.5624 -67.5494 -67.5494 -37.3631 -37.3631 -37.3277 -37.3277 -36.2192 -36.2192 -36.1562 -36.1562 -36.0835 -36.0835 -36.0718 -36.0718 -1.6218 -1.6218 0.5361 0.5361 5.4655 5.4655 7.6346 7.6346 7.9283 7.9283 8.5570 8.5570 9.2863 9.2863 9.5101 9.5101 9.5593 9.5593 10.2757 10.2757 10.9318 10.9318 11.0234 11.0234 11.0648 11.0648 11.7102 11.7102 12.2333 12.2333 13.3314 13.3314 k = 0.1735 0.1002-0.0000 ( 5513 PWs) bands (ev): -67.5614 -67.5614 -67.5497 -67.5497 -37.3631 -37.3631 -37.3277 -37.3277 -36.2192 -36.2192 -36.1562 -36.1562 -36.0836 -36.0836 -36.0719 -36.0719 -1.5828 -1.5828 0.5428 0.5428 5.5135 5.5135 7.6020 7.6020 7.9340 7.9340 8.4726 8.4726 9.2585 9.2585 9.4776 9.4776 9.5082 9.5082 10.2889 10.2889 10.9244 10.9244 11.0233 11.0233 11.0362 11.0362 11.6919 11.6919 12.2188 12.2188 13.3429 13.3429 k = 0.1837 0.1060-0.0000 ( 5517 PWs) bands (ev): -67.5621 -67.5621 -67.5498 -67.5498 -37.3632 -37.3632 -37.3278 -37.3278 -36.2193 -36.2193 -36.1562 -36.1562 -36.0838 -36.0838 -36.0721 -36.0721 -1.5419 -1.5419 0.5495 0.5495 5.5643 5.5643 7.5641 7.5641 7.9381 7.9381 8.3811 8.3811 9.2341 9.2341 9.4338 9.4338 9.4666 9.4666 10.3062 10.3062 10.9090 10.9090 11.0092 11.0092 11.0221 11.0221 11.6683 11.6683 12.2045 12.2045 13.2627 13.2627 k = 0.1939 0.1119-0.0000 ( 5517 PWs) bands (ev): -67.5628 -67.5628 -67.5491 -67.5491 -37.3632 -37.3632 -37.3279 -37.3279 -36.2193 -36.2193 -36.1563 -36.1563 -36.0840 -36.0840 -36.0722 -36.0722 -1.4989 -1.4989 0.5562 0.5562 5.6176 5.6176 7.5220 7.5220 7.9410 7.9410 8.2858 8.2858 9.2128 9.2128 9.3829 9.3829 9.4337 9.4337 10.3284 10.3284 10.8989 10.8989 10.9864 10.9864 11.0215 11.0215 11.6396 11.6396 12.1917 12.1917 13.1779 13.1779 k = 0.2041 0.1178-0.0000 ( 5521 PWs) bands (ev): -67.5635 -67.5635 -67.5491 -67.5491 -37.3633 -37.3633 -37.3280 -37.3280 -36.2193 -36.2193 -36.1564 -36.1564 -36.0842 -36.0842 -36.0723 -36.0723 -1.4540 -1.4540 0.5628 0.5628 5.6735 5.6735 7.4724 7.4724 7.9449 7.9449 8.1908 8.1908 9.1947 9.1947 9.3283 9.3283 9.4054 9.4054 10.3471 10.3471 10.8852 10.8852 10.9644 10.9644 11.0224 11.0224 11.6110 11.6110 12.1745 12.1745 13.0902 13.0902 k = 0.2143 0.1237-0.0000 ( 5525 PWs) bands (ev): -67.5635 -67.5635 -67.5498 -67.5498 -37.3633 -37.3633 -37.3281 -37.3281 -36.2194 -36.2194 -36.1564 -36.1564 -36.0844 -36.0844 -36.0725 -36.0725 -1.4072 -1.4072 0.5692 0.5692 5.7318 5.7318 7.4172 7.4172 7.9485 7.9485 8.0987 8.0987 9.1789 9.1789 9.2728 9.2728 9.3789 9.3789 10.3611 10.3611 10.8743 10.8743 10.9477 10.9477 11.0212 11.0212 11.5800 11.5800 12.1526 12.1526 13.0081 13.0081 k = 0.2245 0.1296-0.0000 ( 5521 PWs) bands (ev): -67.5635 -67.5635 -67.5490 -67.5490 -37.3634 -37.3634 -37.3282 -37.3282 -36.2194 -36.2194 -36.1565 -36.1565 -36.0846 -36.0846 -36.0727 -36.0727 -1.3585 -1.3585 0.5754 0.5754 5.7928 5.7928 7.3535 7.3535 7.9515 7.9515 8.0136 8.0136 9.1652 9.1652 9.2193 9.2193 9.3545 9.3545 10.3807 10.3807 10.8643 10.8643 10.9345 10.9345 11.0208 11.0208 11.5469 11.5469 12.1359 12.1359 12.9303 12.9303 k = 0.2347 0.1355-0.0000 ( 5513 PWs) bands (ev): -67.5621 -67.5621 -67.5490 -67.5490 -37.3634 -37.3634 -37.3282 -37.3282 -36.2194 -36.2194 -36.1565 -36.1565 -36.0847 -36.0847 -36.0728 -36.0728 -1.3080 -1.3080 0.5812 0.5812 5.8557 5.8557 7.2802 7.2802 7.9295 7.9295 7.9611 7.9611 9.1463 9.1463 9.1708 9.1708 9.3343 9.3343 10.4043 10.4043 10.8564 10.8564 10.9223 10.9223 11.0253 11.0253 11.5176 11.5176 12.1137 12.1137 12.8521 12.8521 k = 0.2449 0.1414-0.0000 ( 5519 PWs) bands (ev): -67.5625 -67.5625 -67.5498 -67.5498 -37.3635 -37.3635 -37.3283 -37.3283 -36.2195 -36.2195 -36.1566 -36.1566 -36.0849 -36.0849 -36.0730 -36.0730 -1.2560 -1.2560 0.5866 0.5866 5.9205 5.9205 7.1961 7.1961 7.8596 7.8596 7.9617 7.9617 9.1031 9.1031 9.1477 9.1477 9.3128 9.3128 10.4237 10.4237 10.8426 10.8426 10.9075 10.9075 11.0249 11.0249 11.4818 11.4818 12.0886 12.0886 12.7739 12.7739 k = 0.2551 0.1473-0.0000 ( 5511 PWs) bands (ev): -67.5625 -67.5625 -67.5483 -67.5483 -37.3635 -37.3635 -37.3284 -37.3284 -36.2195 -36.2195 -36.1566 -36.1566 -36.0850 -36.0850 -36.0731 -36.0731 -1.2023 -1.2023 0.5915 0.5915 5.9881 5.9881 7.1039 7.1039 7.7992 7.7992 7.9643 7.9643 9.0535 9.0535 9.1364 9.1364 9.2937 9.2937 10.4462 10.4462 10.8339 10.8339 10.8988 10.8988 11.0254 11.0254 11.4441 11.4441 12.0682 12.0682 12.7056 12.7056 k = 0.2653 0.1532-0.0000 ( 5517 PWs) bands (ev): -67.5629 -67.5629 -67.5490 -67.5490 -37.3636 -37.3636 -37.3285 -37.3285 -36.2195 -36.2195 -36.1567 -36.1567 -36.0852 -36.0852 -36.0733 -36.0733 -1.1472 -1.1472 0.5957 0.5957 6.0572 6.0572 7.0035 7.0035 7.7454 7.7454 7.9655 7.9655 9.0002 9.0002 9.1248 9.1248 9.2754 9.2754 10.4626 10.4626 10.8234 10.8234 10.8880 10.8880 11.0251 11.0251 11.4042 11.4042 12.0360 12.0360 12.6365 12.6365 k = 0.2755 0.1591-0.0000 ( 5523 PWs) bands (ev): -67.5629 -67.5629 -67.5501 -67.5501 -37.3637 -37.3637 -37.3286 -37.3286 -36.2196 -36.2196 -36.1567 -36.1567 -36.0854 -36.0854 -36.0735 -36.0735 -1.0907 -1.0907 0.5991 0.5991 6.1277 6.1277 6.8981 6.8981 7.6982 7.6982 7.9663 7.9663 8.9477 8.9477 9.1132 9.1132 9.2592 9.2592 10.4806 10.4806 10.8135 10.8135 10.8785 10.8785 11.0254 11.0254 11.3641 11.3641 11.9987 11.9987 12.5706 12.5706 k = 0.2857 0.1650-0.0000 ( 5527 PWs) bands (ev): -67.5628 -67.5628 -67.5508 -67.5508 -37.3637 -37.3637 -37.3287 -37.3287 -36.2196 -36.2196 -36.1568 -36.1568 -36.0856 -36.0856 -36.0736 -36.0736 -1.0329 -1.0329 0.6018 0.6018 6.2002 6.2002 6.7890 6.7890 7.6576 7.6576 7.9668 7.9668 8.8950 8.8950 9.1026 9.1026 9.2451 9.2451 10.4979 10.4979 10.8040 10.8040 10.8702 10.8702 11.0257 11.0257 11.3234 11.3234 11.9604 11.9604 12.5106 12.5106 k = 0.2959 0.1708-0.0000 ( 5527 PWs) bands (ev): -67.5628 -67.5628 -67.5508 -67.5508 -37.3638 -37.3638 -37.3288 -37.3288 -36.2197 -36.2197 -36.1568 -36.1568 -36.0857 -36.0857 -36.0738 -36.0738 -0.9740 -0.9740 0.6034 0.6034 6.2738 6.2738 6.6783 6.6783 7.6219 7.6219 7.9666 7.9666 8.8455 8.8455 9.0921 9.0921 9.2330 9.2330 10.5172 10.5172 10.7951 10.7951 10.8625 10.8625 11.0268 11.0268 11.2825 11.2825 11.9244 11.9244 12.4547 12.4547 k = 0.3061 0.1767-0.0000 ( 5523 PWs) bands (ev): -67.5628 -67.5628 -67.5501 -67.5501 -37.3638 -37.3638 -37.3289 -37.3289 -36.2197 -36.2197 -36.1569 -36.1569 -36.0859 -36.0859 -36.0739 -36.0739 -0.9141 -0.9141 0.6040 0.6040 6.3471 6.3471 6.5688 6.5688 7.5904 7.5904 7.9662 7.9662 8.7990 8.7990 9.0818 9.0818 9.2230 9.2230 10.5364 10.5364 10.7871 10.7871 10.8555 10.8555 11.0281 11.0281 11.2415 11.2415 11.8895 11.8895 12.4042 12.4042 k = 0.3163 0.1826-0.0000 ( 5525 PWs) bands (ev): -67.5627 -67.5627 -67.5505 -67.5505 -37.3639 -37.3639 -37.3289 -37.3289 -36.2197 -36.2197 -36.1569 -36.1569 -36.0861 -36.0861 -36.0741 -36.0741 -0.8533 -0.8533 0.6034 0.6034 6.4032 6.4032 6.4782 6.4782 7.5617 7.5617 7.9647 7.9647 8.7504 8.7504 9.0709 9.0709 9.2142 9.2142 10.5539 10.5539 10.7809 10.7809 10.8493 10.8493 11.0261 11.0261 11.1987 11.1987 11.8484 11.8484 12.3562 12.3562 k = 0.3265 0.1885-0.0000 ( 5529 PWs) bands (ev): -67.5626 -67.5626 -67.5512 -67.5512 -37.3640 -37.3640 -37.3290 -37.3290 -36.2198 -36.2198 -36.1570 -36.1570 -36.0862 -36.0862 -36.0742 -36.0742 -0.7918 -0.7918 0.6014 0.6014 6.3328 6.3328 6.5166 6.5166 7.5358 7.5358 7.9615 7.9615 8.7032 8.7032 9.0596 9.0596 9.2073 9.2073 10.5686 10.5686 10.7718 10.7718 10.8414 10.8414 11.0271 11.0271 11.1581 11.1581 11.8059 11.8059 12.3112 12.3112 k = 0.3367 0.1944-0.0000 ( 5537 PWs) bands (ev): -67.5640 -67.5640 -67.5513 -67.5513 -37.3640 -37.3640 -37.3291 -37.3291 -36.2198 -36.2198 -36.1570 -36.1570 -36.0864 -36.0864 -36.0743 -36.0743 -0.7298 -0.7298 0.5979 0.5979 6.2277 6.2277 6.5922 6.5922 7.5121 7.5121 7.9587 7.9587 8.6575 8.6575 9.0469 9.0469 9.2022 9.2022 10.5850 10.5850 10.7588 10.7588 10.8287 10.8287 11.0244 11.0244 11.1161 11.1161 11.7608 11.7608 12.2674 12.2674 k = 0.3469 0.2003-0.0000 ( 5533 PWs) bands (ev): -67.5632 -67.5632 -67.5513 -67.5513 -37.3641 -37.3641 -37.3292 -37.3292 -36.2199 -36.2199 -36.1571 -36.1571 -36.0866 -36.0866 -36.0745 -36.0745 -0.6673 -0.6673 0.5929 0.5929 6.1242 6.1242 6.6713 6.6713 7.4912 7.4912 7.9557 7.9557 8.6117 8.6117 9.0355 9.0355 9.1987 9.1987 10.6024 10.6024 10.7525 10.7525 10.8244 10.8244 11.0305 11.0305 11.0771 11.0771 11.7150 11.7150 12.2338 12.2338 k = 0.3571 0.2062-0.0000 ( 5542 PWs) bands (ev): -67.5647 -67.5647 -67.5513 -67.5513 -37.3641 -37.3641 -37.3293 -37.3293 -36.2199 -36.2199 -36.1571 -36.1571 -36.0868 -36.0868 -36.0746 -36.0746 -0.6047 -0.6047 0.5861 0.5861 6.0232 6.0232 6.7515 6.7515 7.4720 7.4720 7.9519 7.9519 8.5662 8.5662 9.0220 9.0220 9.1958 9.1958 10.6161 10.6161 10.7413 10.7413 10.8146 10.8146 11.0138 11.0138 11.0462 11.0462 11.6681 11.6681 12.2018 12.2018 k = 0.3673 0.2121-0.0000 ( 5544 PWs) bands (ev): -67.5643 -67.5643 -67.5521 -67.5521 -37.3642 -37.3642 -37.3293 -37.3293 -36.2199 -36.2199 -36.1572 -36.1572 -36.0869 -36.0869 -36.0747 -36.0747 -0.5421 -0.5421 0.5775 0.5775 5.9266 5.9266 6.8321 6.8321 7.4549 7.4549 7.9485 7.9485 8.5215 8.5215 9.0116 9.0116 9.1959 9.1959 10.6237 10.6237 10.7340 10.7340 10.8079 10.8079 10.9828 10.9828 11.0409 11.0409 11.6183 11.6183 12.1750 12.1750 k = 0.3776 0.2180-0.0000 ( 5552 PWs) bands (ev): -67.5647 -67.5647 -67.5531 -67.5531 -37.3642 -37.3642 -37.3294 -37.3294 -36.2200 -36.2200 -36.1572 -36.1572 -36.0870 -36.0870 -36.0749 -36.0749 -0.4797 -0.4797 0.5669 0.5669 5.8345 5.8345 6.9127 6.9127 7.4393 7.4393 7.9447 7.9447 8.4741 8.4741 9.0000 9.0000 9.1966 9.1966 10.6359 10.6359 10.7244 10.7244 10.7992 10.7992 10.9447 10.9447 11.0418 11.0418 11.5634 11.5634 12.1497 12.1497 k = 0.3878 0.2239-0.0000 ( 5552 PWs) bands (ev): -67.5646 -67.5646 -67.5531 -67.5531 -37.3643 -37.3643 -37.3295 -37.3295 -36.2200 -36.2200 -36.1572 -36.1572 -36.0872 -36.0872 -36.0750 -36.0750 -0.4179 -0.4179 0.5543 0.5543 5.7480 5.7480 6.9931 6.9931 7.4256 7.4256 7.9411 7.9411 8.4297 8.4297 8.9893 8.9893 9.1989 9.1989 10.6470 10.6470 10.7154 10.7154 10.7912 10.7912 10.9118 10.9118 11.0446 11.0446 11.5162 11.5162 12.1296 12.1296 k = 0.3980 0.2298-0.0000 ( 5544 PWs) bands (ev): -67.5632 -67.5632 -67.5531 -67.5531 -37.3643 -37.3643 -37.3295 -37.3295 -36.2200 -36.2200 -36.1572 -36.1572 -36.0872 -36.0872 -36.0751 -36.0751 -0.3566 -0.3566 0.5397 0.5397 5.6678 5.6678 7.0727 7.0727 7.4137 7.4137 7.9376 7.9376 8.3855 8.3855 8.9790 8.9790 9.2024 9.2024 10.6573 10.6573 10.7129 10.7129 10.7901 10.7901 10.8838 10.8838 11.0486 11.0486 11.4704 11.4704 12.1149 12.1149 k = 0.4082 0.2357-0.0000 ( 5532 PWs) bands (ev): -67.5617 -67.5617 -67.5524 -67.5524 -37.3643 -37.3643 -37.3295 -37.3295 -36.2200 -36.2200 -36.1572 -36.1572 -36.0873 -36.0873 -36.0751 -36.0751 -0.2964 -0.2964 0.5228 0.5228 5.5937 5.5937 7.1510 7.1510 7.4037 7.4037 7.9344 7.9344 8.3418 8.3418 8.9695 8.9695 9.2063 9.2063 10.6696 10.6696 10.7105 10.7105 10.7879 10.7879 10.8581 10.8581 11.0561 11.0561 11.4296 11.4296 12.1040 12.1040 k = 0.4184 0.2415-0.0000 ( 5536 PWs) bands (ev): -67.5624 -67.5624 -67.5524 -67.5524 -37.3643 -37.3643 -37.3296 -37.3296 -36.2201 -36.2201 -36.1573 -36.1573 -36.0874 -36.0874 -36.0752 -36.0752 -0.2376 -0.2376 0.5037 0.5037 5.5256 5.5256 7.2267 7.2267 7.3960 7.3960 7.9308 7.9308 8.2966 8.2966 8.9600 8.9600 9.2102 9.2102 10.6742 10.6742 10.7014 10.7014 10.7773 10.7773 10.8291 10.8291 11.0592 11.0592 11.3886 11.3886 12.0916 12.0916 k = 0.4286 0.2474-0.0000 ( 5524 PWs) bands (ev): -67.5617 -67.5617 -67.5510 -67.5510 -37.3643 -37.3643 -37.3296 -37.3296 -36.2200 -36.2200 -36.1573 -36.1573 -36.0875 -36.0875 -36.0752 -36.0752 -0.1804 -0.1804 0.4826 0.4826 5.4651 5.4651 7.2966 7.2966 7.3939 7.3939 7.9284 7.9284 8.2514 8.2514 8.9518 8.9518 9.2146 9.2146 10.6788 10.6788 10.7046 10.7046 10.7733 10.7733 10.8098 10.8098 11.0681 11.0681 11.3547 11.3547 12.0853 12.0853 k = 0.4388 0.2533-0.0000 ( 5528 PWs) bands (ev): -67.5620 -67.5620 -67.5514 -67.5514 -37.3644 -37.3644 -37.3296 -37.3296 -36.2201 -36.2201 -36.1573 -36.1573 -36.0875 -36.0875 -36.0753 -36.0753 -0.1255 -0.1255 0.4594 0.4594 5.4116 5.4116 7.3444 7.3444 7.4127 7.4127 7.9255 7.9255 8.2050 8.2050 8.9443 8.9443 9.2188 9.2188 10.6718 10.6718 10.7035 10.7035 10.7639 10.7639 10.7908 10.7908 11.0703 11.0703 11.3151 11.3151 12.0794 12.0794 k = 0.4490 0.2592-0.0000 ( 5528 PWs) bands (ev): -67.5634 -67.5634 -67.5500 -67.5500 -37.3644 -37.3644 -37.3297 -37.3297 -36.2200 -36.2200 -36.1574 -36.1574 -36.0876 -36.0876 -36.0753 -36.0753 -0.0733 -0.0733 0.4347 0.4347 5.3660 5.3660 7.3552 7.3552 7.4675 7.4675 7.9228 7.9228 8.1597 8.1597 8.9366 8.9366 9.2225 9.2225 10.6613 10.6613 10.7020 10.7020 10.7540 10.7540 10.7703 10.7703 11.0722 11.0722 11.2935 11.2935 12.0799 12.0799 k = 0.4592 0.2651-0.0000 ( 5530 PWs) bands (ev): -67.5637 -67.5637 -67.5500 -67.5500 -37.3644 -37.3644 -37.3297 -37.3297 -36.2200 -36.2200 -36.1574 -36.1574 -36.0877 -36.0877 -36.0754 -36.0754 -0.0248 -0.0248 0.4090 0.4090 5.3281 5.3281 7.3546 7.3546 7.5300 7.5300 7.9208 7.9208 8.1134 8.1134 8.9305 8.9305 9.2261 9.2261 10.6521 10.6521 10.7000 10.7000 10.7473 10.7473 10.7606 10.7606 11.0747 11.0747 11.2691 11.2691 12.0749 12.0749 k = 0.4694 0.2710-0.0000 ( 5524 PWs) bands (ev): -67.5627 -67.5627 -67.5500 -67.5500 -37.3644 -37.3644 -37.3297 -37.3297 -36.2201 -36.2201 -36.1574 -36.1574 -36.0877 -36.0877 -36.0754 -36.0754 0.0187 0.0187 0.3835 0.3835 5.2987 5.2987 7.3525 7.3525 7.5895 7.5895 7.9197 7.9197 8.0687 8.0687 8.9260 8.9260 9.2291 9.2291 10.6499 10.6499 10.6995 10.6995 10.7467 10.7467 10.7582 10.7582 11.0781 11.0781 11.2501 11.2501 12.0723 12.0723 k = 0.4796 0.2769-0.0000 ( 5522 PWs) bands (ev): -67.5627 -67.5627 -67.5497 -67.5497 -37.3644 -37.3644 -37.3297 -37.3297 -36.2201 -36.2201 -36.1574 -36.1574 -36.0877 -36.0877 -36.0754 -36.0754 0.0549 0.0549 0.3602 0.3602 5.2773 5.2773 7.3505 7.3505 7.6416 7.6416 7.9191 7.9191 8.0280 8.0280 8.9252 8.9252 9.2313 9.2313 10.6440 10.6440 10.6947 10.6947 10.7443 10.7443 10.7524 10.7524 11.0802 11.0802 11.2400 11.2400 12.0716 12.0716 k = 0.4898 0.2828-0.0000 ( 5518 PWs) bands (ev): -67.5626 -67.5626 -67.5490 -67.5490 -37.3644 -37.3644 -37.3297 -37.3297 -36.2200 -36.2200 -36.1574 -36.1574 -36.0878 -36.0878 -36.0754 -36.0754 0.0799 0.0799 0.3431 0.3431 5.2647 5.2647 7.3493 7.3493 7.6797 7.6797 7.9197 7.9197 7.9966 7.9966 8.9249 8.9249 9.2326 9.2326 10.6413 10.6413 10.6912 10.6912 10.7434 10.7434 10.7518 10.7518 11.0807 11.0807 11.2343 11.2343 12.0743 12.0743 k = 0.5000 0.2887-0.0000 ( 5524 PWs) bands (ev): -67.5637 -67.5637 -67.5490 -67.5490 -37.3644 -37.3644 -37.3298 -37.3298 -36.2200 -36.2200 -36.1574 -36.1574 -36.0878 -36.0878 -36.0754 -36.0754 0.0891 0.0891 0.3364 0.3364 5.2603 5.2603 7.3488 7.3488 7.6936 7.6936 7.9202 7.9202 7.9839 7.9839 8.9254 8.9254 9.2331 9.2331 10.6346 10.6346 10.6862 10.6862 10.7406 10.7406 10.7495 10.7495 11.0793 11.0793 11.2312 11.2312 12.0733 12.0733 k = 0.5000 0.2887-0.0000 ( 5524 PWs) bands (ev): -67.5637 -67.5637 -67.5490 -67.5490 -37.3644 -37.3644 -37.3298 -37.3298 -36.2200 -36.2200 -36.1574 -36.1574 -36.0878 -36.0878 -36.0754 -36.0754 0.0891 0.0891 0.3364 0.3364 5.2603 5.2603 7.3488 7.3488 7.6936 7.6936 7.9202 7.9202 7.9839 7.9839 8.9254 8.9254 9.2331 9.2331 10.6346 10.6346 10.6862 10.6862 10.7406 10.7406 10.7495 10.7495 11.0793 11.0793 11.2312 11.2312 12.0733 12.0733 k = 0.4943 0.2986-0.0000 ( 5524 PWs) bands (ev): -67.5637 -67.5637 -67.5490 -67.5490 -37.3644 -37.3644 -37.3298 -37.3298 -36.2200 -36.2200 -36.1574 -36.1574 -36.0878 -36.0878 -36.0754 -36.0754 0.0896 0.0896 0.3369 0.3369 5.2611 5.2611 7.3457 7.3457 7.6948 7.6948 7.9233 7.9233 7.9839 7.9839 8.8962 8.8962 9.2526 9.2526 10.6375 10.6375 10.6883 10.6883 10.7427 10.7427 10.7491 10.7491 11.0799 11.0799 11.2311 11.2311 12.0750 12.0750 k = 0.4885 0.3086-0.0000 ( 5520 PWs) bands (ev): -67.5630 -67.5630 -67.5490 -67.5490 -37.3644 -37.3644 -37.3298 -37.3298 -36.2200 -36.2200 -36.1574 -36.1574 -36.0878 -36.0878 -36.0754 -36.0754 0.0910 0.0910 0.3384 0.3384 5.2637 5.2637 7.3366 7.3366 7.6980 7.6980 7.9322 7.9322 7.9844 7.9844 8.8347 8.8347 9.2987 9.2987 10.6422 10.6422 10.6914 10.6914 10.7473 10.7473 10.7524 10.7524 11.0806 11.0806 11.2304 11.2304 12.0814 12.0814 k = 0.4828 0.3185-0.0000 ( 5520 PWs) bands (ev): -67.5630 -67.5630 -67.5489 -67.5489 -37.3644 -37.3644 -37.3298 -37.3298 -36.2200 -36.2200 -36.1574 -36.1574 -36.0878 -36.0878 -36.0754 -36.0754 0.0934 0.0934 0.3407 0.3407 5.2679 5.2679 7.3222 7.3222 7.7029 7.7029 7.9452 7.9452 7.9860 7.9860 8.7531 8.7531 9.3540 9.3540 10.6440 10.6440 10.6931 10.6931 10.7526 10.7526 10.7562 10.7562 11.0806 11.0806 11.2288 11.2288 12.0913 12.0913 k = 0.4770 0.3285-0.0000 ( 5518 PWs) bands (ev): -67.5627 -67.5627 -67.5489 -67.5489 -37.3644 -37.3644 -37.3298 -37.3298 -36.2200 -36.2200 -36.1574 -36.1574 -36.0878 -36.0878 -36.0754 -36.0754 0.0967 0.0967 0.3439 0.3439 5.2739 5.2739 7.3033 7.3033 7.7097 7.7097 7.9585 7.9585 7.9922 7.9922 8.6596 8.6596 9.4096 9.4096 10.6486 10.6486 10.6993 10.6993 10.7605 10.7605 10.7637 10.7637 11.0814 11.0814 11.2267 11.2267 12.1039 12.1039 k = 0.4713 0.3384-0.0000 ( 5522 PWs) bands (ev): -67.5634 -67.5634 -67.5488 -67.5488 -37.3644 -37.3644 -37.3298 -37.3298 -36.2200 -36.2200 -36.1574 -36.1574 -36.0878 -36.0878 -36.0755 -36.0755 0.1009 0.1009 0.3479 0.3479 5.2812 5.2812 7.2814 7.2814 7.7178 7.7178 7.9662 7.9662 8.0098 8.0098 8.5605 8.5605 9.4632 9.4632 10.6506 10.6506 10.7007 10.7007 10.7653 10.7653 10.7693 10.7693 11.0773 11.0773 11.2229 11.2229 12.1165 12.1165 k = 0.4655 0.3484-0.0000 ( 5528 PWs) bands (ev): -67.5634 -67.5634 -67.5498 -67.5498 -37.3644 -37.3644 -37.3298 -37.3298 -36.2201 -36.2201 -36.1574 -36.1574 -36.0878 -36.0878 -36.0755 -36.0755 0.1061 0.1061 0.3527 0.3527 5.2903 5.2903 7.2561 7.2561 7.7252 7.7252 7.9666 7.9666 8.0333 8.0333 8.4582 8.4582 9.5144 9.5144 10.6520 10.6520 10.7038 10.7038 10.7724 10.7724 10.7804 10.7804 11.0774 11.0774 11.2179 11.2179 12.1366 12.1366 k = 0.4598 0.3584-0.0000 ( 5528 PWs) bands (ev): -67.5634 -67.5634 -67.5498 -67.5498 -37.3644 -37.3644 -37.3298 -37.3298 -36.2201 -36.2201 -36.1574 -36.1574 -36.0879 -36.0879 -36.0755 -36.0755 0.1122 0.1122 0.3583 0.3583 5.3010 5.3010 7.2292 7.2292 7.7367 7.7367 7.9648 7.9648 8.0619 8.0619 8.3528 8.3528 9.5607 9.5607 10.6555 10.6555 10.7058 10.7058 10.7799 10.7799 10.7943 10.7943 11.0796 11.0796 11.2139 11.2139 12.1595 12.1595 k = 0.4540 0.3683-0.0000 ( 5536 PWs) bands (ev): -67.5634 -67.5634 -67.5511 -67.5511 -37.3645 -37.3645 -37.3298 -37.3298 -36.2201 -36.2201 -36.1574 -36.1574 -36.0879 -36.0879 -36.0756 -36.0756 0.1191 0.1191 0.3646 0.3646 5.3130 5.3130 7.2008 7.2008 7.7494 7.7494 7.9606 7.9606 8.0919 8.0919 8.2472 8.2472 9.6028 9.6028 10.6583 10.6583 10.7071 10.7071 10.7871 10.7871 10.8073 10.8073 11.0778 11.0778 11.2003 11.2003 12.1840 12.1840 k = 0.4483 0.3783-0.0000 ( 5536 PWs) bands (ev): -67.5627 -67.5627 -67.5518 -67.5518 -37.3645 -37.3645 -37.3298 -37.3298 -36.2202 -36.2202 -36.1574 -36.1574 -36.0879 -36.0879 -36.0756 -36.0756 0.1270 0.1270 0.3715 0.3715 5.3264 5.3264 7.1712 7.1712 7.7636 7.7636 7.9525 7.9525 8.1143 8.1143 8.1525 8.1525 9.6413 9.6413 10.6645 10.6645 10.7121 10.7121 10.7947 10.7947 10.8252 10.8252 11.0813 11.0813 11.1952 11.1952 12.2101 12.2101 k = 0.4425 0.3882-0.0000 ( 5536 PWs) bands (ev): -67.5620 -67.5620 -67.5524 -67.5524 -37.3645 -37.3645 -37.3298 -37.3298 -36.2202 -36.2202 -36.1574 -36.1574 -36.0879 -36.0879 -36.0757 -36.0757 0.1356 0.1356 0.3788 0.3788 5.3412 5.3412 7.1407 7.1407 7.7788 7.7788 7.9314 7.9314 8.0469 8.0469 8.1610 8.1610 9.6777 9.6777 10.6693 10.6693 10.7170 10.7170 10.8021 10.8021 10.8443 10.8443 11.0882 11.0882 11.1885 11.1885 12.2384 12.2384 k = 0.4368 0.3982-0.0000 ( 5546 PWs) bands (ev): -67.5634 -67.5634 -67.5527 -67.5527 -37.3645 -37.3645 -37.3299 -37.3299 -36.2202 -36.2202 -36.1575 -36.1575 -36.0880 -36.0880 -36.0757 -36.0757 0.1451 0.1451 0.3866 0.3866 5.3570 5.3570 7.1105 7.1105 7.7948 7.7948 7.8695 7.8695 7.9964 7.9964 8.1935 8.1935 9.7051 9.7051 10.6683 10.6683 10.7163 10.7163 10.8046 10.8046 10.8583 10.8583 11.0971 11.0971 11.1822 11.1822 12.2666 12.2666 k = 0.4310 0.4081-0.0000 ( 5554 PWs) bands (ev): -67.5634 -67.5634 -67.5540 -67.5540 -37.3646 -37.3646 -37.3299 -37.3299 -36.2202 -36.2202 -36.1575 -36.1575 -36.0880 -36.0880 -36.0758 -36.0758 0.1553 0.1553 0.3946 0.3946 5.3737 5.3737 7.0803 7.0803 7.7743 7.7743 7.8121 7.8121 7.9797 7.9797 8.2270 8.2270 9.7332 9.7332 10.6701 10.6701 10.7194 10.7194 10.8088 10.8088 10.8719 10.8719 11.1018 11.1018 11.1736 11.1736 12.2931 12.2931 k = 0.4253 0.4181-0.0000 ( 5534 PWs) bands (ev): -67.5614 -67.5614 -67.5526 -67.5526 -37.3646 -37.3646 -37.3299 -37.3299 -36.2202 -36.2202 -36.1574 -36.1574 -36.0880 -36.0880 -36.0758 -36.0758 0.1664 0.1664 0.4028 0.4028 5.3916 5.3916 7.0526 7.0526 7.6723 7.6723 7.8322 7.8322 7.9731 7.9731 8.2629 8.2629 9.7605 9.7605 10.6792 10.6792 10.7311 10.7311 10.8146 10.8146 10.8970 10.8970 11.1220 11.1220 11.1738 11.1738 12.3231 12.3231 k = 0.4195 0.4280-0.0000 ( 5532 PWs) bands (ev): -67.5617 -67.5617 -67.5519 -67.5519 -37.3646 -37.3646 -37.3299 -37.3299 -36.2202 -36.2202 -36.1574 -36.1574 -36.0881 -36.0881 -36.0758 -36.0758 0.1780 0.1780 0.4110 0.4110 5.4099 5.4099 7.0226 7.0226 7.5692 7.5692 7.8526 7.8526 7.9699 7.9699 8.2949 8.2949 9.7822 9.7822 10.6782 10.6782 10.7354 10.7354 10.8160 10.8160 10.9076 10.9076 11.1410 11.1410 11.1820 11.1820 12.3520 12.3520 k = 0.4138 0.4380-0.0000 ( 5530 PWs) bands (ev): -67.5614 -67.5614 -67.5518 -67.5518 -37.3646 -37.3646 -37.3299 -37.3299 -36.2202 -36.2202 -36.1574 -36.1574 -36.0881 -36.0881 -36.0758 -36.0758 0.1904 0.1904 0.4190 0.4190 5.4287 5.4287 6.9943 6.9943 7.4682 7.4682 7.8722 7.8722 7.9675 7.9675 8.3275 8.3275 9.8021 9.8021 10.6779 10.6779 10.7410 10.7410 10.8174 10.8174 10.9219 10.9219 11.1399 11.1399 11.2057 11.2057 12.3800 12.3800 k = 0.4080 0.4479-0.0000 ( 5522 PWs) bands (ev): -67.5607 -67.5607 -67.5511 -67.5511 -37.3646 -37.3646 -37.3299 -37.3299 -36.2202 -36.2202 -36.1574 -36.1574 -36.0881 -36.0881 -36.0759 -36.0759 0.2035 0.2035 0.4268 0.4268 5.4481 5.4481 6.9684 6.9684 7.3721 7.3721 7.8912 7.8912 7.9661 7.9661 8.3599 8.3599 9.8231 9.8231 10.6806 10.6806 10.7478 10.7478 10.8190 10.8190 10.9276 10.9276 11.1338 11.1338 11.2395 11.2395 12.4136 12.4136 k = 0.4023 0.4579-0.0000 ( 5524 PWs) bands (ev): -67.5604 -67.5604 -67.5518 -67.5518 -37.3646 -37.3646 -37.3299 -37.3299 -36.2202 -36.2202 -36.1574 -36.1574 -36.0882 -36.0882 -36.0759 -36.0759 0.2171 0.2171 0.4340 0.4340 5.4668 5.4668 6.9415 6.9415 7.2794 7.2794 7.9090 7.9090 7.9653 7.9653 8.3896 8.3896 9.8404 9.8404 10.6795 10.6795 10.7542 10.7542 10.8159 10.8159 10.9361 10.9361 11.1250 11.1250 11.2788 11.2788 12.4394 12.4394 k = 0.3966 0.4679-0.0000 ( 5524 PWs) bands (ev): -67.5604 -67.5604 -67.5518 -67.5518 -37.3646 -37.3646 -37.3299 -37.3299 -36.2202 -36.2202 -36.1574 -36.1574 -36.0882 -36.0882 -36.0760 -36.0760 0.2312 0.2312 0.4406 0.4406 5.4853 5.4853 6.9149 6.9149 7.1924 7.1924 7.9273 7.9273 7.9657 7.9657 8.4174 8.4174 9.8563 9.8563 10.6780 10.6780 10.7608 10.7608 10.8140 10.8140 10.9350 10.9350 11.1150 11.1150 11.3285 11.3285 12.4663 12.4663 k = 0.3908 0.4778-0.0000 ( 5524 PWs) bands (ev): -67.5604 -67.5604 -67.5517 -67.5517 -37.3646 -37.3646 -37.3299 -37.3299 -36.2202 -36.2202 -36.1574 -36.1574 -36.0882 -36.0882 -36.0760 -36.0760 0.2459 0.2459 0.4462 0.4462 5.5029 5.5029 6.8894 6.8894 7.1115 7.1115 7.9460 7.9460 7.9665 7.9665 8.4436 8.4436 9.8709 9.8709 10.6764 10.6764 10.7677 10.7677 10.8119 10.8119 10.9325 10.9325 11.1045 11.1045 11.3775 11.3775 12.4892 12.4892 k = 0.3851 0.4878-0.0000 ( 5524 PWs) bands (ev): -67.5597 -67.5597 -67.5524 -67.5524 -37.3646 -37.3646 -37.3299 -37.3299 -36.2202 -36.2202 -36.1574 -36.1574 -36.0882 -36.0882 -36.0760 -36.0760 0.2610 0.2610 0.4509 0.4509 5.5195 5.5195 6.8639 6.8639 7.0380 7.0380 7.9621 7.9621 7.9685 7.9685 8.4676 8.4676 9.8848 9.8848 10.6787 10.6787 10.7758 10.7758 10.8132 10.8132 10.9293 10.9293 11.0936 11.0936 11.4270 11.4270 12.5100 12.5100 k = 0.3793 0.4977-0.0000 ( 5520 PWs) bands (ev): -67.5590 -67.5590 -67.5524 -67.5524 -37.3647 -37.3647 -37.3299 -37.3299 -36.2202 -36.2202 -36.1574 -36.1574 -36.0883 -36.0883 -36.0761 -36.0761 0.2765 0.2765 0.4542 0.4542 5.5346 5.5346 6.8388 6.8388 6.9734 6.9734 7.9689 7.9689 7.9797 7.9797 8.4894 8.4894 9.8978 9.8978 10.6816 10.6816 10.7820 10.7820 10.8143 10.8143 10.9258 10.9258 11.0865 11.0865 11.4851 11.4851 12.5304 12.5304 k = 0.3736 0.5077-0.0000 ( 5520 PWs) bands (ev): -67.5590 -67.5590 -67.5524 -67.5524 -37.3647 -37.3647 -37.3300 -37.3300 -36.2202 -36.2202 -36.1574 -36.1574 -36.0883 -36.0883 -36.0761 -36.0761 0.2923 0.2923 0.4559 0.4559 5.5472 5.5472 6.8133 6.8133 6.9187 6.9187 7.9722 7.9722 7.9944 7.9944 8.5089 8.5089 9.9070 9.9070 10.6786 10.6786 10.7833 10.7833 10.8178 10.8178 10.9239 10.9239 11.0750 11.0750 11.5433 11.5433 12.5464 12.5464 k = 0.3678 0.5176-0.0000 ( 5536 PWs) bands (ev): -67.5597 -67.5597 -67.5545 -67.5545 -37.3647 -37.3647 -37.3300 -37.3300 -36.2203 -36.2203 -36.1574 -36.1574 -36.0883 -36.0883 -36.0762 -36.0762 0.3083 0.3083 0.4558 0.4558 5.5573 5.5573 6.7854 6.7854 6.8739 6.8739 7.9748 7.9748 8.0067 8.0067 8.5254 8.5254 9.9134 9.9134 10.6750 10.6750 10.7778 10.7778 10.8234 10.8234 10.9177 10.9177 11.0571 11.0571 11.5956 11.5956 12.4832 12.4832 k = 0.3621 0.5276-0.0000 ( 5534 PWs) bands (ev): -67.5597 -67.5597 -67.5542 -67.5542 -37.3647 -37.3647 -37.3300 -37.3300 -36.2203 -36.2203 -36.1574 -36.1574 -36.0884 -36.0884 -36.0762 -36.0762 0.3246 0.3246 0.4538 0.4538 5.5653 5.5653 6.7597 6.7597 6.8415 6.8415 7.9794 7.9794 8.0171 8.0171 8.5399 8.5399 9.9237 9.9237 10.6735 10.6735 10.7730 10.7730 10.8303 10.8303 10.9127 10.9127 11.0481 11.0481 11.6585 11.6585 12.4003 12.4003 k = 0.3563 0.5375-0.0000 ( 5538 PWs) bands (ev): -67.5604 -67.5604 -67.5542 -67.5542 -37.3647 -37.3647 -37.3300 -37.3300 -36.2203 -36.2203 -36.1574 -36.1574 -36.0884 -36.0884 -36.0762 -36.0762 0.3410 0.3410 0.4496 0.4496 5.5708 5.5708 6.7357 6.7357 6.8173 6.8173 7.9850 7.9850 8.0247 8.0247 8.5515 8.5515 9.9303 9.9303 10.6704 10.6704 10.7678 10.7678 10.8376 10.8376 10.9020 10.9020 11.0381 11.0381 11.7241 11.7241 12.3177 12.3177 k = 0.3506 0.5475-0.0000 ( 5530 PWs) bands (ev): -67.5604 -67.5604 -67.5528 -67.5528 -37.3647 -37.3647 -37.3300 -37.3300 -36.2203 -36.2203 -36.1574 -36.1574 -36.0884 -36.0884 -36.0762 -36.0762 0.3576 0.3576 0.4431 0.4431 5.5741 5.5741 6.7174 6.7174 6.8006 6.8006 7.9928 7.9928 8.0297 8.0297 8.5605 8.5605 9.9357 9.9357 10.6691 10.6691 10.7642 10.7642 10.8466 10.8466 10.8984 10.8984 11.0298 11.0298 11.7977 11.7977 12.2397 12.2397 k = 0.3448 0.5574-0.0000 ( 5536 PWs) bands (ev): -67.5615 -67.5615 -67.5528 -67.5528 -37.3647 -37.3647 -37.3301 -37.3301 -36.2203 -36.2203 -36.1575 -36.1575 -36.0885 -36.0885 -36.0762 -36.0762 0.3740 0.3740 0.4340 0.4340 5.5751 5.5751 6.7046 6.7046 6.7880 6.7880 8.0003 8.0003 8.0303 8.0303 8.5667 8.5667 9.9372 9.9372 10.6616 10.6616 10.7567 10.7567 10.8524 10.8524 10.8943 10.8943 11.0220 11.0220 11.8653 11.8653 12.1611 12.1611 k = 0.3391 0.5674-0.0000 ( 5532 PWs) bands (ev): -67.5608 -67.5608 -67.5528 -67.5528 -37.3647 -37.3647 -37.3300 -37.3300 -36.2203 -36.2203 -36.1574 -36.1574 -36.0885 -36.0885 -36.0762 -36.0762 0.3904 0.3904 0.4223 0.4223 5.5754 5.5754 6.6983 6.6983 6.7810 6.7810 8.0088 8.0088 8.0258 8.0258 8.5703 8.5703 9.9453 9.9453 10.6613 10.6613 10.7547 10.7547 10.8582 10.8582 10.8953 10.8953 11.0151 11.0151 11.9334 11.9334 12.0817 12.0817 k = 0.3333 0.5774-0.0000 ( 5532 PWs) bands (ev): -67.5601 -67.5601 -67.5535 -67.5535 -37.3647 -37.3647 -37.3300 -37.3300 -36.2203 -36.2203 -36.1574 -36.1574 -36.0885 -36.0885 -36.0762 -36.0762 0.4036 0.4036 0.4106 0.4106 5.5754 5.5754 6.6964 6.6964 6.7781 6.7781 8.0154 8.0154 8.0198 8.0198 8.5715 8.5715 9.9462 9.9462 10.6633 10.6633 10.7561 10.7561 10.8620 10.8620 10.8981 10.8981 11.0113 11.0113 11.9779 11.9779 12.0281 12.0281 k = 0.3333 0.5774-0.0000 ( 5532 PWs) bands (ev): -67.5601 -67.5601 -67.5535 -67.5535 -37.3647 -37.3647 -37.3300 -37.3300 -36.2203 -36.2203 -36.1574 -36.1574 -36.0885 -36.0885 -36.0762 -36.0762 0.4036 0.4036 0.4106 0.4106 5.5754 5.5754 6.6964 6.6964 6.7781 6.7781 8.0154 8.0154 8.0198 8.0198 8.5715 8.5715 9.9462 9.9462 10.6633 10.6633 10.7561 10.7561 10.8620 10.8620 10.8981 10.8981 11.0113 11.0113 11.9779 11.9779 12.0281 12.0281 k = 0.3275 0.5672-0.0000 ( 5536 PWs) bands (ev): -67.5615 -67.5615 -67.5528 -67.5528 -37.3647 -37.3647 -37.3301 -37.3301 -36.2203 -36.2203 -36.1575 -36.1575 -36.0885 -36.0885 -36.0762 -36.0762 0.3886 0.3886 0.4239 0.4239 5.5756 5.5756 6.6977 6.6977 6.7815 6.7815 8.0050 8.0050 8.0293 8.0293 8.5703 8.5703 9.9452 9.9452 10.6592 10.6592 10.7527 10.7527 10.8552 10.8552 10.8918 10.8918 11.0159 11.0159 11.9303 11.9303 12.0841 12.0841 k = 0.3216 0.5571-0.0000 ( 5540 PWs) bands (ev): -67.5615 -67.5615 -67.5535 -67.5535 -37.3647 -37.3647 -37.3301 -37.3301 -36.2203 -36.2203 -36.1575 -36.1575 -36.0885 -36.0885 -36.0762 -36.0762 0.3673 0.3673 0.4400 0.4400 5.5778 5.5778 6.6995 6.6995 6.7916 6.7916 7.9869 7.9869 8.0410 8.0410 8.5670 8.5670 9.9377 9.9377 10.6636 10.6636 10.7586 10.7586 10.8510 10.8510 10.8898 10.8898 11.0217 11.0217 11.8642 11.8642 12.1559 12.1559 k = 0.3158 0.5470-0.0000 ( 5538 PWs) bands (ev): -67.5612 -67.5612 -67.5535 -67.5535 -37.3647 -37.3647 -37.3300 -37.3300 -36.2203 -36.2203 -36.1575 -36.1575 -36.0884 -36.0884 -36.0762 -36.0762 0.3427 0.3427 0.4558 0.4558 5.5823 5.5823 6.7027 6.7027 6.8101 6.8101 7.9633 7.9633 8.0542 8.0542 8.5619 8.5619 9.9338 9.9338 10.6667 10.6667 10.7654 10.7654 10.8470 10.8470 10.8880 10.8880 11.0312 11.0312 11.8012 11.8012 12.2313 12.2313 k = 0.3099 0.5368-0.0000 ( 5546 PWs) bands (ev): -67.5612 -67.5612 -67.5549 -67.5549 -37.3647 -37.3647 -37.3300 -37.3300 -36.2203 -36.2203 -36.1575 -36.1575 -36.0884 -36.0884 -36.0762 -36.0762 0.3146 0.3146 0.4713 0.4713 5.5899 5.5899 6.7050 6.7050 6.8347 6.8347 7.9339 7.9339 8.0670 8.0670 8.5550 8.5550 9.9271 9.9271 10.6679 10.6679 10.7725 10.7725 10.8419 10.8419 10.8851 10.8851 11.0418 11.0418 11.7411 11.7411 12.3016 12.3016 k = 0.3041 0.5267-0.0000 ( 5546 PWs) bands (ev): -67.5612 -67.5612 -67.5549 -67.5549 -37.3647 -37.3647 -37.3300 -37.3300 -36.2203 -36.2203 -36.1574 -36.1574 -36.0884 -36.0884 -36.0762 -36.0762 0.2831 0.2831 0.4863 0.4863 5.6012 5.6012 6.7089 6.7089 6.8655 6.8655 7.8995 7.8995 8.0830 8.0830 8.5469 8.5469 9.9182 9.9182 10.6640 10.6640 10.7817 10.7817 10.8402 10.8402 10.8845 10.8845 11.0569 11.0569 11.6880 11.6880 12.3798 12.3798 k = 0.2982 0.5166-0.0000 ( 5542 PWs) bands (ev): -67.5612 -67.5612 -67.5543 -67.5543 -37.3647 -37.3647 -37.3300 -37.3300 -36.2203 -36.2203 -36.1574 -36.1574 -36.0884 -36.0884 -36.0762 -36.0762 0.2484 0.2484 0.5009 0.5009 5.6173 5.6173 6.7148 6.7148 6.9008 6.9008 7.8600 7.8600 8.1006 8.1006 8.5380 8.5380 9.9079 9.9079 10.6654 10.6654 10.7931 10.7931 10.8358 10.8358 10.8817 10.8817 11.0740 11.0740 11.6425 11.6425 12.4599 12.4599 k = 0.2924 0.5064-0.0000 ( 5542 PWs) bands (ev): -67.5618 -67.5618 -67.5536 -67.5536 -37.3647 -37.3647 -37.3300 -37.3300 -36.2202 -36.2202 -36.1574 -36.1574 -36.0884 -36.0884 -36.0761 -36.0761 0.2105 0.2105 0.5148 0.5148 5.6380 5.6380 6.7220 6.7220 6.9399 6.9399 7.8150 7.8150 8.1192 8.1192 8.5285 8.5285 9.8942 9.8942 10.6661 10.6661 10.7998 10.7998 10.8314 10.8314 10.8792 10.8792 11.0916 11.0916 11.6024 11.6024 12.5392 12.5392 k = 0.2865 0.4963-0.0000 ( 5538 PWs) bands (ev): -67.5611 -67.5611 -67.5536 -67.5536 -37.3646 -37.3646 -37.3300 -37.3300 -36.2202 -36.2202 -36.1574 -36.1574 -36.0883 -36.0883 -36.0761 -36.0761 0.1694 0.1694 0.5281 0.5281 5.6646 5.6646 6.7304 6.7304 6.9814 6.9814 7.7649 7.7649 8.1391 8.1391 8.5186 8.5186 9.8816 9.8816 10.6718 10.6718 10.8185 10.8185 10.8278 10.8278 10.8787 10.8787 11.1049 11.1049 11.5689 11.5689 12.6182 12.6182 k = 0.2807 0.4862-0.0000 ( 5544 PWs) bands (ev): -67.5618 -67.5618 -67.5539 -67.5539 -37.3646 -37.3646 -37.3299 -37.3299 -36.2202 -36.2202 -36.1574 -36.1574 -36.0882 -36.0882 -36.0760 -36.0760 0.1254 0.1254 0.5406 0.5406 5.6961 5.6961 6.7400 6.7400 7.0247 7.0247 7.7099 7.7099 8.1599 8.1599 8.5084 8.5084 9.8658 9.8658 10.6740 10.6740 10.8216 10.8216 10.8281 10.8281 10.8774 10.8774 11.1148 11.1148 11.5435 11.5435 12.6928 12.6928 k = 0.2749 0.4761-0.0000 ( 5542 PWs) bands (ev): -67.5615 -67.5615 -67.5539 -67.5539 -37.3646 -37.3646 -37.3299 -37.3299 -36.2202 -36.2202 -36.1574 -36.1574 -36.0882 -36.0882 -36.0760 -36.0760 0.0786 0.0786 0.5525 0.5525 5.7336 5.7336 6.7522 6.7522 7.0695 7.0695 7.6509 7.6509 8.1825 8.1825 8.4989 8.4989 9.8506 9.8506 10.6756 10.6756 10.8184 10.8184 10.8419 10.8419 10.8851 10.8851 11.1200 11.1200 11.5282 11.5282 12.7034 12.7034 k = 0.2690 0.4659-0.0000 ( 5550 PWs) bands (ev): -67.5615 -67.5615 -67.5554 -67.5554 -37.3646 -37.3646 -37.3299 -37.3299 -36.2203 -36.2203 -36.1574 -36.1574 -36.0881 -36.0881 -36.0759 -36.0759 0.0293 0.0293 0.5634 0.5634 5.7765 5.7765 6.7645 6.7645 7.1141 7.1141 7.5875 7.5875 8.2074 8.2074 8.4886 8.4886 9.8323 9.8323 10.6805 10.6805 10.8154 10.8154 10.8468 10.8468 10.8971 10.8971 11.1177 11.1177 11.5189 11.5189 12.7090 12.7090 k = 0.2632 0.4558-0.0000 ( 5554 PWs) bands (ev): -67.5614 -67.5614 -67.5561 -67.5561 -37.3646 -37.3646 -37.3298 -37.3298 -36.2203 -36.2203 -36.1573 -36.1573 -36.0880 -36.0880 -36.0759 -36.0759 -0.0225 -0.0225 0.5736 0.5736 5.8252 5.8252 6.7805 6.7805 7.1601 7.1601 7.5214 7.5214 8.2319 8.2319 8.4804 8.4804 9.8128 9.8128 10.6861 10.6861 10.8115 10.8115 10.8475 10.8475 10.9144 10.9144 11.1050 11.1050 11.5231 11.5231 12.7206 12.7206 k = 0.2573 0.4457-0.0000 ( 5554 PWs) bands (ev): -67.5614 -67.5614 -67.5561 -67.5561 -37.3646 -37.3646 -37.3298 -37.3298 -36.2202 -36.2202 -36.1573 -36.1573 -36.0879 -36.0879 -36.0758 -36.0758 -0.0764 -0.0764 0.5829 0.5829 5.8794 5.8794 6.7984 6.7984 7.2054 7.2054 7.4536 7.4536 8.2584 8.2584 8.4735 8.4735 9.7922 9.7922 10.6925 10.6925 10.8078 10.8078 10.8466 10.8466 10.9350 10.9350 11.0956 11.0956 11.5357 11.5357 12.7339 12.7339 k = 0.2515 0.4355-0.0000 ( 5552 PWs) bands (ev): -67.5618 -67.5618 -67.5554 -67.5554 -37.3645 -37.3645 -37.3297 -37.3297 -36.2202 -36.2202 -36.1573 -36.1573 -36.0878 -36.0878 -36.0757 -36.0757 -0.1322 -0.1322 0.5913 0.5913 5.9389 5.9389 6.8180 6.8180 7.2468 7.2468 7.3872 7.3872 8.2880 8.2880 8.4683 8.4683 9.7709 9.7709 10.6980 10.6980 10.8040 10.8040 10.8451 10.8451 10.9551 10.9551 11.0861 11.0861 11.5558 11.5558 12.7489 12.7489 k = 0.2456 0.4254-0.0000 ( 5552 PWs) bands (ev): -67.5618 -67.5618 -67.5554 -67.5554 -37.3645 -37.3645 -37.3297 -37.3297 -36.2202 -36.2202 -36.1573 -36.1573 -36.0877 -36.0877 -36.0756 -36.0756 -0.1896 -0.1896 0.5989 0.5989 6.0038 6.0038 6.8393 6.8393 7.2627 7.2627 7.3439 7.3439 8.3167 8.3167 8.4651 8.4651 9.7487 9.7487 10.7052 10.7052 10.7986 10.7986 10.8429 10.8429 10.9789 10.9789 11.0730 11.0730 11.5804 11.5804 12.7661 12.7661 k = 0.2398 0.4153-0.0000 ( 5556 PWs) bands (ev): -67.5639 -67.5639 -67.5541 -67.5541 -37.3644 -37.3644 -37.3297 -37.3297 -36.2201 -36.2201 -36.1573 -36.1573 -36.0877 -36.0877 -36.0754 -36.0754 -0.2485 -0.2485 0.6054 0.6054 6.0738 6.0738 6.8618 6.8618 7.2125 7.2125 7.3652 7.3652 8.3477 8.3477 8.4649 8.4649 9.7239 9.7239 10.7105 10.7105 10.7861 10.7861 10.8323 10.8323 10.9979 10.9979 11.0639 11.0639 11.6113 11.6113 12.7861 12.7861 k = 0.2339 0.4052-0.0000 ( 5554 PWs) bands (ev): -67.5642 -67.5642 -67.5534 -67.5534 -37.3644 -37.3644 -37.3296 -37.3296 -36.2201 -36.2201 -36.1573 -36.1573 -36.0876 -36.0876 -36.0753 -36.0753 -0.3086 -0.3086 0.6111 0.6111 6.1488 6.1488 6.8851 6.8851 7.1417 7.1417 7.4056 7.4056 8.3781 8.3781 8.4686 8.4686 9.7012 9.7012 10.7132 10.7132 10.7783 10.7783 10.8293 10.8293 11.0230 11.0230 11.0562 11.0562 11.6426 11.6426 12.8080 12.8080 k = 0.2281 0.3950-0.0000 ( 5558 PWs) bands (ev): -67.5650 -67.5650 -67.5534 -67.5534 -37.3643 -37.3643 -37.3296 -37.3296 -36.2201 -36.2201 -36.1573 -36.1573 -36.0875 -36.0875 -36.0752 -36.0752 -0.3697 -0.3697 0.6158 0.6158 6.2282 6.2282 6.9061 6.9061 7.0701 7.0701 7.4479 7.4479 8.4057 8.4057 8.4770 8.4770 9.6779 9.6779 10.7148 10.7148 10.7674 10.7674 10.8271 10.8271 11.0311 11.0311 11.0618 11.0618 11.6750 11.6750 12.8322 12.8322 k = 0.2222 0.3849-0.0000 ( 5554 PWs) bands (ev): -67.5650 -67.5650 -67.5527 -67.5527 -37.3643 -37.3643 -37.3295 -37.3295 -36.2200 -36.2200 -36.1572 -36.1572 -36.0873 -36.0873 -36.0751 -36.0751 -0.4314 -0.4314 0.6196 0.6196 6.3125 6.3125 6.9130 6.9130 7.0125 7.0125 7.4905 7.4905 8.4303 8.4303 8.4946 8.4946 9.6587 9.6587 10.7215 10.7215 10.7535 10.7535 10.8262 10.8262 11.0256 11.0256 11.0849 11.0849 11.7094 11.7094 12.8616 12.8616 k = 0.2164 0.3748-0.0000 ( 5544 PWs) bands (ev): -67.5640 -67.5640 -67.5521 -67.5521 -37.3642 -37.3642 -37.3294 -37.3294 -36.2200 -36.2200 -36.1572 -36.1572 -36.0871 -36.0871 -36.0749 -36.0749 -0.4936 -0.4936 0.6224 0.6224 6.4011 6.4011 6.8730 6.8730 7.0026 7.0026 7.5325 7.5325 8.4490 8.4490 8.5222 8.5222 9.6362 9.6362 10.7336 10.7336 10.7419 10.7419 10.8331 10.8331 11.0205 11.0205 11.1136 11.1136 11.7455 11.7455 12.8935 12.8935 k = 0.2105 0.3646-0.0000 ( 5550 PWs) bands (ev): -67.5644 -67.5644 -67.5528 -67.5528 -37.3642 -37.3642 -37.3294 -37.3294 -36.2200 -36.2200 -36.1571 -36.1571 -36.0870 -36.0870 -36.0748 -36.0748 -0.5562 -0.5562 0.6243 0.6243 6.4928 6.4928 6.8028 6.8028 7.0240 7.0240 7.5700 7.5700 8.4642 8.4642 8.5547 8.5547 9.6141 9.6141 10.7164 10.7164 10.7422 10.7422 10.8297 10.8297 11.0146 11.0146 11.1462 11.1462 11.7782 11.7782 12.9220 12.9220 k = 0.2047 0.3545-0.0000 ( 5550 PWs) bands (ev): -67.5644 -67.5644 -67.5528 -67.5528 -37.3642 -37.3642 -37.3293 -37.3293 -36.2200 -36.2200 -36.1571 -36.1571 -36.0869 -36.0869 -36.0747 -36.0747 -0.6188 -0.6188 0.6253 0.6253 6.5880 6.5880 6.7265 6.7265 7.0529 7.0529 7.6083 7.6083 8.4801 8.4801 8.5930 8.5930 9.5919 9.5919 10.6923 10.6923 10.7497 10.7497 10.8327 10.8327 11.0092 11.0092 11.1768 11.1768 11.8104 11.8104 12.9602 12.9602 k = 0.1988 0.3444-0.0000 ( 5550 PWs) bands (ev): -67.5645 -67.5645 -67.5528 -67.5528 -37.3641 -37.3641 -37.3292 -37.3292 -36.2199 -36.2199 -36.1571 -36.1571 -36.0867 -36.0867 -36.0745 -36.0745 -0.6812 -0.6812 0.6255 0.6255 6.6417 6.6417 6.6939 6.6939 7.0846 7.0846 7.6449 7.6449 8.4979 8.4979 8.6311 8.6311 9.5704 9.5704 10.6702 10.6702 10.7575 10.7575 10.8356 10.8356 11.0073 11.0073 11.2081 11.2081 11.8421 11.8421 13.0028 13.0028 k = 0.1930 0.3343-0.0000 ( 5550 PWs) bands (ev): -67.5645 -67.5645 -67.5529 -67.5529 -37.3641 -37.3641 -37.3291 -37.3291 -36.2199 -36.2199 -36.1570 -36.1570 -36.0865 -36.0865 -36.0744 -36.0744 -0.7434 -0.7434 0.6248 0.6248 6.5665 6.5665 6.7927 6.7927 7.1178 7.1178 7.6788 7.6788 8.5175 8.5175 8.6726 8.6726 9.5496 9.5496 10.6470 10.6470 10.7650 10.7650 10.8396 10.8396 11.0065 11.0065 11.2400 11.2400 11.8734 11.8734 13.0472 13.0472 k = 0.1871 0.3241-0.0000 ( 5554 PWs) bands (ev): -67.5645 -67.5645 -67.5536 -67.5536 -37.3640 -37.3640 -37.3290 -37.3290 -36.2199 -36.2199 -36.1570 -36.1570 -36.0864 -36.0864 -36.0743 -36.0743 -0.8052 -0.8052 0.6234 0.6234 6.4882 6.4882 6.8975 6.8975 7.1520 7.1520 7.7106 7.7106 8.5390 8.5390 8.7155 8.7155 9.5289 9.5289 10.6216 10.6216 10.7758 10.7758 10.8442 10.8442 11.0019 11.0019 11.2727 11.2727 11.8995 11.8995 13.0943 13.0943 k = 0.1813 0.3140-0.0000 ( 5544 PWs) bands (ev): -67.5634 -67.5634 -67.5529 -67.5529 -37.3639 -37.3639 -37.3289 -37.3289 -36.2198 -36.2198 -36.1569 -36.1569 -36.0861 -36.0861 -36.0741 -36.0741 -0.8662 -0.8662 0.6212 0.6212 6.4115 6.4115 7.0053 7.0053 7.1874 7.1874 7.7409 7.7409 8.5646 8.5646 8.7606 8.7606 9.5105 9.5105 10.5981 10.5981 10.7863 10.7863 10.8523 10.8523 11.0043 11.0043 11.3097 11.3097 11.9394 11.9394 13.1471 13.1471 k = 0.1754 0.3039-0.0000 ( 5552 PWs) bands (ev): -67.5649 -67.5649 -67.5529 -67.5529 -37.3639 -37.3639 -37.3289 -37.3289 -36.2198 -36.2198 -36.1569 -36.1569 -36.0860 -36.0860 -36.0740 -36.0740 -0.9266 -0.9266 0.6183 0.6183 6.3350 6.3350 7.1149 7.1149 7.2220 7.2220 7.7690 7.7690 8.5941 8.5941 8.8067 8.8067 9.4907 9.4907 10.5682 10.5682 10.7906 10.7906 10.8527 10.8527 11.0010 11.0010 11.3391 11.3391 11.9650 11.9650 13.2037 13.2037 k = 0.1696 0.2937-0.0000 ( 5552 PWs) bands (ev): -67.5649 -67.5649 -67.5529 -67.5529 -37.3638 -37.3638 -37.3288 -37.3288 -36.2197 -36.2197 -36.1568 -36.1568 -36.0858 -36.0858 -36.0738 -36.0738 -0.9860 -0.9860 0.6147 0.6147 6.2598 6.2598 7.2256 7.2256 7.2574 7.2574 7.7943 7.7943 8.6256 8.6256 8.8543 8.8543 9.4745 9.4745 10.5437 10.5437 10.7979 10.7979 10.8588 10.8588 11.0024 11.0024 11.3720 11.3720 11.9916 11.9916 13.2625 13.2625 k = 0.1637 0.2836-0.0000 ( 5548 PWs) bands (ev): -67.5649 -67.5649 -67.5522 -67.5522 -37.3638 -37.3638 -37.3287 -37.3287 -36.2197 -36.2197 -36.1568 -36.1568 -36.0857 -36.0857 -36.0737 -36.0737 -1.0444 -1.0444 0.6106 0.6106 6.1861 6.1861 7.2915 7.2915 7.3390 7.3390 7.8186 7.8186 8.6607 8.6607 8.9043 8.9043 9.4601 9.4601 10.5211 10.5211 10.8061 10.8061 10.8660 10.8660 11.0045 11.0045 11.4049 11.4049 12.0174 12.0174 13.3262 13.3262 k = 0.1579 0.2735-0.0000 ( 5548 PWs) bands (ev): -67.5649 -67.5649 -67.5522 -67.5522 -37.3637 -37.3637 -37.3286 -37.3286 -36.2197 -36.2197 -36.1567 -36.1567 -36.0855 -36.0855 -36.0735 -36.0735 -1.1016 -1.1016 0.6059 0.6059 6.1140 6.1140 7.3263 7.3263 7.4510 7.4510 7.8404 7.8404 8.6985 8.6985 8.9543 8.9543 9.4472 9.4472 10.4970 10.4970 10.8140 10.8140 10.8731 10.8731 11.0063 11.0063 11.4376 11.4376 12.0414 12.0414 13.3895 13.3895 k = 0.1520 0.2634-0.0000 ( 5544 PWs) bands (ev): -67.5649 -67.5649 -67.5515 -67.5515 -37.3636 -37.3636 -37.3285 -37.3285 -36.2196 -36.2196 -36.1567 -36.1567 -36.0853 -36.0853 -36.0733 -36.0733 -1.1576 -1.1576 0.6007 0.6007 6.0437 6.0437 7.3606 7.3606 7.5621 7.5621 7.8614 7.8614 8.7393 8.7393 9.0061 9.0061 9.4361 9.4361 10.4792 10.4792 10.8224 10.8224 10.8810 10.8810 11.0092 11.0092 11.4700 11.4700 12.0673 12.0673 13.4406 13.4406 k = 0.1462 0.2532-0.0000 ( 5532 PWs) bands (ev): -67.5635 -67.5635 -67.5508 -67.5508 -37.3636 -37.3636 -37.3284 -37.3284 -36.2196 -36.2196 -36.1566 -36.1566 -36.0851 -36.0851 -36.0731 -36.0731 -1.2121 -1.2121 0.5952 0.5952 5.9752 5.9752 7.3957 7.3957 7.6702 7.6702 7.8838 7.8838 8.7854 8.7854 9.0590 9.0590 9.4304 9.4304 10.4601 10.4601 10.8335 10.8335 10.8919 10.8919 11.0154 11.0154 11.5070 11.5070 12.0893 12.0893 13.4688 13.4688 k = 0.1404 0.2431-0.0000 ( 5522 PWs) bands (ev): -67.5624 -67.5624 -67.5500 -67.5500 -37.3635 -37.3635 -37.3283 -37.3283 -36.2195 -36.2195 -36.1565 -36.1565 -36.0849 -36.0849 -36.0730 -36.0730 -1.2651 -1.2651 0.5893 0.5893 5.9088 5.9088 7.4294 7.4294 7.7664 7.7664 7.9174 7.9174 8.8323 8.8323 9.1125 9.1125 9.4230 9.4230 10.4433 10.4433 10.8473 10.8473 10.9058 10.9058 11.0166 11.0166 11.5401 11.5401 12.1122 12.1122 13.4893 13.4893 k = 0.1345 0.2330-0.0000 ( 5518 PWs) bands (ev): -67.5624 -67.5624 -67.5493 -67.5493 -37.3634 -37.3634 -37.3282 -37.3282 -36.2194 -36.2194 -36.1565 -36.1565 -36.0847 -36.0847 -36.0728 -36.0728 -1.3165 -1.3165 0.5830 0.5830 5.8447 5.8447 7.4616 7.4616 7.8337 7.8337 7.9739 7.9739 8.8833 8.8833 9.1679 9.1679 9.4185 9.4185 10.4200 10.4200 10.8572 10.8572 10.9163 10.9163 11.0187 11.0187 11.5699 11.5699 12.1337 12.1337 13.5073 13.5073 k = 0.1287 0.2228-0.0000 ( 5506 PWs) bands (ev): -67.5617 -67.5617 -67.5480 -67.5480 -37.3633 -37.3633 -37.3281 -37.3281 -36.2194 -36.2194 -36.1564 -36.1564 -36.0845 -36.0845 -36.0726 -36.0726 -1.3663 -1.3663 0.5766 0.5766 5.7825 5.7825 7.4939 7.4939 7.8682 7.8682 8.0605 8.0605 8.9383 8.9383 9.2252 9.2252 9.4173 9.4173 10.4010 10.4010 10.8705 10.8705 10.9304 10.9304 11.0236 11.0236 11.6008 11.6008 12.1520 12.1520 13.5234 13.5234 k = 0.1228 0.2127-0.0000 ( 5510 PWs) bands (ev): -67.5625 -67.5625 -67.5480 -67.5480 -37.3633 -37.3633 -37.3281 -37.3281 -36.2193 -36.2193 -36.1564 -36.1564 -36.0843 -36.0843 -36.0724 -36.0724 -1.4144 -1.4144 0.5699 0.5699 5.7226 5.7226 7.5242 7.5242 7.8842 7.8842 8.1590 8.1590 8.9909 8.9909 9.2803 9.2803 9.4156 9.4156 10.3787 10.3787 10.8829 10.8829 10.9445 10.9445 11.0166 11.0166 11.6270 11.6270 12.1686 12.1686 13.5258 13.5258 k = 0.1170 0.2026-0.0000 ( 5518 PWs) bands (ev): -67.5632 -67.5632 -67.5487 -67.5487 -37.3633 -37.3633 -37.3280 -37.3280 -36.2193 -36.2193 -36.1563 -36.1563 -36.0842 -36.0842 -36.0723 -36.0723 -1.4607 -1.4607 0.5630 0.5630 5.6647 5.6647 7.5519 7.5519 7.8942 7.8942 8.2571 8.2571 9.0416 9.0416 9.3349 9.3349 9.4206 9.4206 10.3575 10.3575 10.8928 10.8928 10.9594 10.9594 11.0173 11.0173 11.6483 11.6483 12.1800 12.1800 13.5082 13.5082 k = 0.1111 0.1925-0.0000 ( 5516 PWs) bands (ev): -67.5622 -67.5622 -67.5494 -67.5494 -37.3632 -37.3632 -37.3279 -37.3279 -36.2193 -36.2193 -36.1563 -36.1563 -36.0840 -36.0840 -36.0722 -36.0722 -1.5050 -1.5050 0.5561 0.5561 5.6096 5.6096 7.5808 7.5808 7.9013 7.9013 8.3533 8.3533 9.0959 9.0959 9.3862 9.3862 9.4332 9.4332 10.3362 10.3362 10.9067 10.9067 10.9795 10.9795 11.0202 11.0202 11.6734 11.6734 12.1928 12.1928 13.4739 13.4739 k = 0.1053 0.1823-0.0000 ( 5510 PWs) bands (ev): -67.5615 -67.5615 -67.5490 -67.5490 -37.3632 -37.3632 -37.3278 -37.3278 -36.2193 -36.2193 -36.1562 -36.1562 -36.0838 -36.0838 -36.0720 -36.0720 -1.5474 -1.5474 0.5492 0.5492 5.5570 5.5570 7.6090 7.6090 7.9060 7.9060 8.4446 8.4446 9.1526 9.1526 9.4295 9.4295 9.4604 9.4604 10.3204 10.3204 10.9174 10.9174 11.0014 11.0014 11.0227 11.0227 11.6968 11.6968 12.2075 12.2075 13.4287 13.4287 k = 0.0994 0.1722-0.0000 ( 5510 PWs) bands (ev): -67.5615 -67.5615 -67.5490 -67.5490 -37.3631 -37.3631 -37.3277 -37.3277 -36.2192 -36.2192 -36.1562 -36.1562 -36.0836 -36.0836 -36.0719 -36.0719 -1.5878 -1.5878 0.5424 0.5424 5.5069 5.5069 7.6349 7.6349 7.9087 7.9087 8.5285 8.5285 9.2091 9.2091 9.4536 9.4536 9.5086 9.5086 10.3021 10.3021 10.9276 10.9276 11.0237 11.0237 11.0281 11.0281 11.7157 11.7157 12.2200 12.2200 13.3770 13.3770 k = 0.0936 0.1621-0.0000 ( 5520 PWs) bands (ev): -67.5633 -67.5633 -67.5490 -67.5490 -37.3630 -37.3630 -37.3277 -37.3277 -36.2192 -36.2192 -36.1562 -36.1562 -36.0835 -36.0835 -36.0718 -36.0718 -1.6262 -1.6262 0.5356 0.5356 5.4596 5.4596 7.6585 7.6585 7.9096 7.9096 8.6027 8.6027 9.2642 9.2642 9.4762 9.4762 9.5596 9.5596 10.2850 10.2850 10.9267 10.9267 11.0251 11.0251 11.0549 11.0549 11.7312 11.7312 12.2318 12.2318 13.3195 13.3195 k = 0.0877 0.1519-0.0000 ( 5512 PWs) bands (ev): -67.5626 -67.5626 -67.5482 -67.5482 -37.3630 -37.3630 -37.3276 -37.3276 -36.2192 -36.2192 -36.1561 -36.1561 -36.0834 -36.0834 -36.0716 -36.0716 -1.6625 -1.6625 0.5290 0.5290 5.4148 5.4148 7.6818 7.6818 7.9099 7.9099 8.6724 8.6724 9.3203 9.3203 9.5035 9.5035 9.6187 9.6187 10.2694 10.2694 10.9388 10.9388 11.0293 11.0293 11.0908 11.0908 11.7460 11.7460 12.2457 12.2457 13.2635 13.2635 k = 0.0819 0.1418-0.0000 ( 5512 PWs) bands (ev): -67.5619 -67.5619 -67.5489 -67.5489 -37.3630 -37.3630 -37.3275 -37.3275 -36.2192 -36.2192 -36.1560 -36.1560 -36.0832 -36.0832 -36.0715 -36.0715 -1.6966 -1.6966 0.5226 0.5226 5.3727 5.3727 7.7034 7.7034 7.9110 7.9110 8.7327 8.7327 9.3733 9.3733 9.5327 9.5327 9.6714 9.6714 10.2518 10.2518 10.9478 10.9478 11.0308 11.0308 11.1322 11.1322 11.7585 11.7585 12.2549 12.2549 13.2039 13.2039 k = 0.0760 0.1317-0.0000 ( 5516 PWs) bands (ev): -67.5626 -67.5626 -67.5489 -67.5489 -37.3629 -37.3629 -37.3275 -37.3275 -36.2191 -36.2191 -36.1560 -36.1560 -36.0831 -36.0831 -36.0714 -36.0714 -1.7285 -1.7285 0.5164 0.5164 5.3333 5.3333 7.7237 7.7237 7.9089 7.9089 8.7811 8.7811 9.4273 9.4273 9.5641 9.5641 9.7244 9.7244 10.2373 10.2373 10.9525 10.9525 11.0322 11.0322 11.1736 11.1736 11.7691 11.7691 12.2638 12.2638 13.1439 13.1439 k = 0.0702 0.1215-0.0000 ( 5512 PWs) bands (ev): -67.5626 -67.5626 -67.5481 -67.5481 -37.3629 -37.3629 -37.3274 -37.3274 -36.2191 -36.2191 -36.1560 -36.1560 -36.0830 -36.0830 -36.0713 -36.0713 -1.7582 -1.7582 0.5105 0.5105 5.2969 5.2969 7.7433 7.7433 7.9079 7.9079 8.8218 8.8218 9.4830 9.4830 9.5982 9.5982 9.7760 9.7760 10.2279 10.2279 10.9607 10.9607 11.0341 11.0341 11.2201 11.2201 11.7784 11.7784 12.2734 12.2734 13.0844 13.0844 k = 0.0643 0.1114-0.0000 ( 5512 PWs) bands (ev): -67.5626 -67.5626 -67.5481 -67.5481 -37.3628 -37.3628 -37.3273 -37.3273 -36.2191 -36.2191 -36.1559 -36.1559 -36.0829 -36.0829 -36.0712 -36.0712 -1.7857 -1.7857 0.5050 0.5050 5.2631 5.2631 7.7603 7.7603 7.9067 7.9067 8.8577 8.8577 9.5332 9.5332 9.6328 9.6328 9.8265 9.8265 10.2154 10.2154 10.9692 10.9692 11.0318 11.0318 11.2699 11.2699 11.7860 11.7860 12.2808 12.2808 13.0262 13.0262 k = 0.0585 0.1013-0.0000 ( 5510 PWs) bands (ev): -67.5623 -67.5623 -67.5481 -67.5481 -37.3628 -37.3628 -37.3273 -37.3273 -36.2190 -36.2190 -36.1559 -36.1559 -36.0828 -36.0828 -36.0711 -36.0711 -1.8108 -1.8108 0.4997 0.4997 5.2322 5.2322 7.7754 7.7754 7.9057 7.9057 8.8836 8.8836 9.5806 9.5806 9.6661 9.6661 9.8750 9.8750 10.2048 10.2048 10.9777 10.9777 11.0413 11.0413 11.3215 11.3215 11.7929 11.7929 12.2875 12.2875 12.9697 12.9697 k = 0.0526 0.0912-0.0000 ( 5504 PWs) bands (ev): -67.5620 -67.5620 -67.5473 -67.5473 -37.3627 -37.3627 -37.3272 -37.3272 -36.2190 -36.2190 -36.1558 -36.1558 -36.0827 -36.0827 -36.0710 -36.0710 -1.8336 -1.8336 0.4949 0.4949 5.2045 5.2045 7.7894 7.7894 7.9068 7.9068 8.9064 8.9064 9.6256 9.6256 9.7012 9.7012 9.9161 9.9161 10.2011 10.2011 10.9851 10.9851 11.0433 11.0433 11.3741 11.3741 11.8001 11.8001 12.2976 12.2976 12.9149 12.9149 k = 0.0468 0.0810-0.0000 ( 5504 PWs) bands (ev): -67.5620 -67.5620 -67.5473 -67.5473 -37.3627 -37.3627 -37.3272 -37.3272 -36.2190 -36.2190 -36.1558 -36.1558 -36.0826 -36.0826 -36.0709 -36.0709 -1.8541 -1.8541 0.4905 0.4905 5.1793 5.1793 7.8014 7.8014 7.9065 7.9065 8.9235 8.9235 9.6674 9.6674 9.7304 9.7304 9.9604 9.9604 10.1900 10.1900 10.9926 10.9926 11.0449 11.0449 11.4240 11.4240 11.8081 11.8081 12.3021 12.3021 12.8643 12.8643 k = 0.0409 0.0709-0.0000 ( 5490 PWs) bands (ev): -67.5623 -67.5623 -67.5445 -67.5445 -37.3626 -37.3626 -37.3272 -37.3272 -36.2189 -36.2189 -36.1558 -36.1558 -36.0825 -36.0825 -36.0707 -36.0707 -1.8723 -1.8723 0.4866 0.4866 5.1573 5.1573 7.8128 7.8128 7.9081 7.9081 8.9370 8.9370 9.7102 9.7102 9.7586 9.7586 10.0073 10.0073 10.1934 10.1934 10.9938 10.9938 11.0463 11.0463 11.4705 11.4705 11.8180 11.8180 12.3154 12.3154 12.8177 12.8177 k = 0.0351 0.0608-0.0000 ( 5496 PWs) bands (ev): -67.5630 -67.5630 -67.5448 -67.5448 -37.3626 -37.3626 -37.3271 -37.3271 -36.2189 -36.2189 -36.1558 -36.1558 -36.0824 -36.0824 -36.0707 -36.0707 -1.8880 -1.8880 0.4831 0.4831 5.1379 5.1379 7.8203 7.8203 7.9086 7.9086 8.9431 8.9431 9.7416 9.7416 9.7812 9.7812 10.0416 10.0416 10.1862 10.1862 10.9983 10.9983 11.0448 11.0448 11.5105 11.5105 11.8298 11.8298 12.3192 12.3192 12.7753 12.7753 k = 0.0292 0.0506-0.0000 ( 5492 PWs) bands (ev): -67.5623 -67.5623 -67.5448 -67.5448 -37.3626 -37.3626 -37.3271 -37.3271 -36.2189 -36.2189 -36.1558 -36.1558 -36.0823 -36.0823 -36.0706 -36.0706 -1.9014 -1.9014 0.4802 0.4802 5.1215 5.1215 7.8272 7.8272 7.9105 7.9105 8.9519 8.9519 9.7716 9.7716 9.8008 9.8008 10.0709 10.0709 10.1826 10.1826 11.0064 11.0064 11.0485 11.0485 11.5434 11.5434 11.8445 11.8445 12.3224 12.3224 12.7383 12.7383 k = 0.0234 0.0405-0.0000 ( 5496 PWs) bands (ev): -67.5630 -67.5630 -67.5448 -67.5448 -37.3626 -37.3626 -37.3271 -37.3271 -36.2189 -36.2189 -36.1558 -36.1558 -36.0823 -36.0823 -36.0706 -36.0706 -1.9123 -1.9123 0.4777 0.4777 5.1081 5.1081 7.8310 7.8310 7.9113 7.9113 8.9574 8.9574 9.7951 9.7951 9.8153 9.8153 10.0937 10.0937 10.1812 10.1812 11.0091 11.0091 11.0476 11.0476 11.5682 11.5682 11.8607 11.8607 12.3251 12.3251 12.7071 12.7071 k = 0.0175 0.0304-0.0000 ( 5498 PWs) bands (ev): -67.5637 -67.5637 -67.5444 -67.5444 -37.3626 -37.3626 -37.3271 -37.3271 -36.2189 -36.2189 -36.1558 -36.1558 -36.0823 -36.0823 -36.0705 -36.0705 -1.9209 -1.9209 0.4758 0.4758 5.0977 5.0977 7.8335 7.8335 7.9124 7.9124 8.9588 8.9588 9.8132 9.8132 9.8275 9.8275 10.1106 10.1106 10.1850 10.1850 11.0106 11.0106 11.0489 11.0489 11.5855 11.5855 11.8767 11.8767 12.3289 12.3289 12.6823 12.6823 k = 0.0117 0.0203-0.0000 ( 5494 PWs) bands (ev): -67.5651 -67.5651 -67.5422 -67.5422 -37.3625 -37.3625 -37.3271 -37.3271 -36.2188 -36.2188 -36.1558 -36.1558 -36.0823 -36.0823 -36.0704 -36.0704 -1.9270 -1.9270 0.4744 0.4744 5.0907 5.0907 7.8353 7.8353 7.9136 7.9136 8.9590 8.9590 9.8279 9.8279 9.8409 9.8409 10.1259 10.1259 10.1912 10.1912 11.0107 11.0107 11.0483 11.0483 11.5966 11.5966 11.8904 11.8904 12.3363 12.3363 12.6644 12.6644 k = 0.0058 0.0101-0.0000 ( 5481 PWs) bands (ev): -67.5642 -67.5642 -67.5408 -67.5408 -37.3625 -37.3625 -37.3271 -37.3271 -36.2187 -36.2187 -36.1558 -36.1558 -36.0823 -36.0823 -36.0704 -36.0704 -1.9307 -1.9307 0.4736 0.4736 5.0864 5.0864 7.8375 7.8375 7.9154 7.9154 8.9609 8.9609 9.8400 9.8400 9.8476 9.8476 10.1345 10.1345 10.1984 10.1984 11.0187 11.0187 11.0558 11.0558 11.6027 11.6027 11.8996 11.8996 12.3421 12.3421 12.6535 12.6535 k = 0.0000 0.0000 0.0000 ( 5467 PWs) bands (ev): -67.5642 -67.5642 -67.5384 -67.5384 -37.3624 -37.3624 -37.3271 -37.3271 -36.2186 -36.2186 -36.1558 -36.1558 -36.0823 -36.0823 -36.0703 -36.0703 -1.9319 -1.9319 0.4733 0.4733 5.0862 5.0862 7.8393 7.8393 7.9171 7.9171 8.9614 8.9614 9.8495 9.8495 9.8520 9.8520 10.1388 10.1388 10.2025 10.2025 11.0192 11.0192 11.0564 11.0564 11.6046 11.6046 11.9029 11.9029 12.3586 12.3586 12.6499 12.6499 k = 0.0000 0.0000 0.0000 ( 5467 PWs) bands (ev): -67.5642 -67.5642 -67.5384 -67.5384 -37.3624 -37.3624 -37.3271 -37.3271 -36.2186 -36.2186 -36.1558 -36.1558 -36.0823 -36.0823 -36.0703 -36.0703 -1.9319 -1.9319 0.4733 0.4733 5.0862 5.0862 7.8393 7.8393 7.9171 7.9171 8.9614 8.9614 9.8495 9.8495 9.8520 9.8520 10.1388 10.1388 10.2025 10.2025 11.0192 11.0192 11.0564 11.0564 11.6046 11.6046 11.9029 11.9029 12.3586 12.3586 12.6499 12.6499 k = 0.0000 0.0000 0.0116 ( 5473 PWs) bands (ev): -67.5642 -67.5642 -67.5394 -67.5394 -37.3624 -37.3624 -37.3271 -37.3271 -36.2187 -36.2187 -36.1558 -36.1558 -36.0823 -36.0823 -36.0704 -36.0704 -1.9307 -1.9307 0.4698 0.4698 5.0904 5.0904 7.8402 7.8402 7.9179 7.9179 8.9617 8.9617 9.8496 9.8496 9.8522 9.8522 10.1350 10.1350 10.1975 10.1975 11.0148 11.0148 11.0526 11.0526 11.6135 11.6135 11.9103 11.9103 12.3388 12.3388 12.6420 12.6420 k = 0.0000 0.0000 0.0233 ( 5503 PWs) bands (ev): -67.5652 -67.5652 -67.5438 -67.5438 -37.3624 -37.3624 -37.3272 -37.3272 -36.2187 -36.2187 -36.1560 -36.1560 -36.0823 -36.0823 -36.0705 -36.0705 -1.9270 -1.9270 0.4593 0.4593 5.1054 5.1054 7.8387 7.8387 7.9164 7.9164 8.9691 8.9691 9.8387 9.8387 9.8414 9.8414 10.1170 10.1170 10.1760 10.1760 10.9927 10.9927 11.0319 11.0319 11.6387 11.6387 11.9319 11.9319 12.3177 12.3177 12.6186 12.6186 k = 0.0000 0.0000 0.0349 ( 5503 PWs) bands (ev): -67.5652 -67.5652 -67.5439 -67.5439 -37.3623 -37.3623 -37.3273 -37.3273 -36.2184 -36.2184 -36.1563 -36.1563 -36.0822 -36.0822 -36.0705 -36.0705 -1.9208 -1.9208 0.4420 0.4420 5.1319 5.1319 7.8439 7.8439 7.9216 7.9216 8.9703 8.9703 9.8415 9.8415 9.8446 9.8446 10.0985 10.0985 10.1519 10.1519 10.9742 10.9742 11.0147 11.0147 11.6780 11.6780 11.9666 11.9666 12.3011 12.3011 12.5807 12.5807 k = 0.0000 0.0000 0.0466 ( 5491 PWs) bands (ev): -67.5630 -67.5630 -67.5440 -67.5440 -37.3621 -37.3621 -37.3274 -37.3274 -36.2181 -36.2181 -36.1566 -36.1566 -36.0821 -36.0821 -36.0706 -36.0706 -1.9121 -1.9121 0.4182 0.4182 5.1688 5.1688 7.8534 7.8534 7.9311 7.9311 8.9738 8.9738 9.8480 9.8480 9.8516 9.8516 10.0739 10.0739 10.1197 10.1197 10.9583 10.9583 10.9997 10.9997 11.7284 11.7284 12.0127 12.0127 12.2786 12.2786 12.5300 12.5300 k = 0.0000 0.0000 0.0582 ( 5515 PWs) bands (ev): -67.5652 -67.5652 -67.5463 -67.5463 -37.3618 -37.3618 -37.3277 -37.3277 -36.2177 -36.2177 -36.1572 -36.1572 -36.0820 -36.0820 -36.0707 -36.0707 -1.9011 -1.9011 0.3881 0.3881 5.2155 5.2155 7.8619 7.8619 7.9396 7.9396 8.9622 8.9622 9.8501 9.8501 9.8549 9.8549 10.0347 10.0347 10.0715 10.0715 10.9260 10.9260 10.9669 10.9669 11.7843 11.7843 12.0669 12.0669 12.2451 12.2451 12.4686 12.4686 k = 0.0000 0.0000 0.0698 ( 5509 PWs) bands (ev): -67.5630 -67.5630 -67.5475 -67.5475 -37.3615 -37.3615 -37.3280 -37.3280 -36.2172 -36.2172 -36.1577 -36.1577 -36.0819 -36.0819 -36.0708 -36.0708 -1.8875 -1.8875 0.3523 0.3523 5.2705 5.2705 7.8737 7.8737 7.9512 7.9512 8.9679 8.9679 9.8554 9.8554 9.8620 9.8620 9.9995 9.9995 10.0260 10.0260 10.9108 10.9108 10.9508 10.9508 11.8460 11.8460 12.1305 12.1305 12.1963 12.1963 12.4002 12.4002 k = 0.0000 0.0000 0.0815 ( 5521 PWs) bands (ev): -67.5629 -67.5629 -67.5498 -67.5498 -37.3612 -37.3612 -37.3283 -37.3283 -36.2167 -36.2167 -36.1583 -36.1583 -36.0818 -36.0818 -36.0710 -36.0710 -1.8715 -1.8715 0.3112 0.3112 5.3351 5.3351 7.8850 7.8850 7.9624 7.9624 8.9688 8.9688 9.8532 9.8532 9.8635 9.8635 9.9578 9.9578 9.9718 9.9718 10.8842 10.8842 10.9218 10.9218 11.9032 11.9032 12.1558 12.1558 12.1990 12.1990 12.3307 12.3307 k = 0.0000 0.0000 0.0931 ( 5521 PWs) bands (ev): -67.5629 -67.5629 -67.5500 -67.5500 -37.3608 -37.3608 -37.3287 -37.3287 -36.2160 -36.2160 -36.1591 -36.1591 -36.0816 -36.0816 -36.0711 -36.0711 -1.8532 -1.8532 0.2653 0.2653 5.4086 5.4086 7.9008 7.9008 7.9779 7.9779 8.9689 8.9689 9.8518 9.8518 9.8734 9.8734 9.9152 9.9152 9.9215 9.9215 10.8581 10.8581 10.8927 10.8927 11.9450 11.9450 12.1132 12.1132 12.2724 12.2724 12.2737 12.2737 k = 0.0000 0.0000 0.1048 ( 5515 PWs) bands (ev): -67.5628 -67.5628 -67.5492 -67.5492 -37.3602 -37.3602 -37.3291 -37.3291 -36.2152 -36.2152 -36.1599 -36.1599 -36.0815 -36.0815 -36.0713 -36.0713 -1.8324 -1.8324 0.2150 0.2150 5.4899 5.4899 7.9196 7.9196 7.9965 7.9965 8.9678 8.9678 9.8306 9.8306 9.8564 9.8564 9.8878 9.8878 9.9072 9.9072 10.8327 10.8327 10.8639 10.8639 11.9469 11.9469 12.0668 12.0668 12.2546 12.2546 12.3498 12.3498 k = 0.0000 0.0000 0.1164 ( 5515 PWs) bands (ev): -67.5627 -67.5627 -67.5494 -67.5494 -37.3597 -37.3597 -37.3296 -37.3296 -36.2144 -36.2144 -36.1609 -36.1609 -36.0813 -36.0813 -36.0714 -36.0714 -1.8092 -1.8092 0.1610 0.1610 5.5785 5.5785 7.9395 7.9395 8.0161 8.0161 8.9650 8.9650 9.7848 9.7848 9.7932 9.7932 9.9002 9.9002 9.9105 9.9105 10.8068 10.8068 10.8346 10.8346 11.8971 11.8971 12.0171 12.0171 12.2859 12.2859 12.4300 12.4300 k = 0.0000 0.0000 0.1281 ( 5515 PWs) bands (ev): -67.5626 -67.5626 -67.5496 -67.5496 -37.3591 -37.3591 -37.3301 -37.3301 -36.2134 -36.2134 -36.1619 -36.1619 -36.0812 -36.0812 -36.0716 -36.0716 -1.7836 -1.7836 0.1036 0.1036 5.6738 5.6738 7.9615 7.9615 8.0378 8.0378 8.9598 8.9598 9.7280 9.7280 9.7306 9.7306 9.9140 9.9140 9.9208 9.9208 10.7808 10.7808 10.8055 10.8055 11.8166 11.8166 11.9646 11.9646 12.3480 12.3480 12.5127 12.5127 k = 0.0000 0.0000 0.1397 ( 5515 PWs) bands (ev): -67.5635 -67.5635 -67.5488 -67.5488 -37.3584 -37.3584 -37.3307 -37.3307 -36.2123 -36.2123 -36.1630 -36.1630 -36.0810 -36.0810 -36.0718 -36.0718 -1.7557 -1.7557 0.0435 0.0435 5.7767 5.7767 7.9845 7.9845 8.0603 8.0603 8.9504 8.9504 9.6608 9.6608 9.6722 9.6722 9.9278 9.9278 9.9331 9.9331 10.7524 10.7524 10.7740 10.7740 11.7235 11.7235 11.9249 11.9249 12.4231 12.4231 12.5966 12.5966 k = 0.0000 0.0000 0.1513 ( 5503 PWs) bands (ev): -67.5633 -67.5633 -67.5469 -67.5469 -37.3577 -37.3577 -37.3313 -37.3313 -36.2112 -36.2112 -36.1642 -36.1642 -36.0808 -36.0808 -36.0720 -36.0720 -1.7255 -1.7255 -0.0190 -0.0190 5.8853 5.8853 8.0123 8.0123 8.0876 8.0876 8.9380 8.9380 9.5935 9.5935 9.6123 9.6123 9.9493 9.9493 9.9535 9.9535 10.7263 10.7263 10.7451 10.7451 11.6269 11.6269 11.8790 11.8790 12.5054 12.5054 12.6827 12.6827 k = 0.0000 0.0000 0.1630 ( 5497 PWs) bands (ev): -67.5621 -67.5621 -67.5472 -67.5472 -37.3570 -37.3570 -37.3319 -37.3319 -36.2100 -36.2100 -36.1654 -36.1654 -36.0805 -36.0805 -36.0722 -36.0722 -1.6928 -1.6928 -0.0834 -0.0834 5.9975 5.9975 8.0406 8.0406 8.1155 8.1155 8.9228 8.9228 9.5261 9.5261 9.5512 9.5512 9.9668 9.9668 9.9704 9.9704 10.7035 10.7035 10.7201 10.7201 11.5311 11.5311 11.8198 11.8198 12.5922 12.5922 12.7709 12.7709 k = 0.0000 0.0000 0.1746 ( 5497 PWs) bands (ev): -67.5619 -67.5619 -67.5475 -67.5475 -37.3562 -37.3562 -37.3326 -37.3326 -36.2087 -36.2087 -36.1668 -36.1668 -36.0803 -36.0803 -36.0724 -36.0724 -1.6580 -1.6580 -0.1494 -0.1494 6.1143 6.1143 8.0707 8.0707 8.1451 8.1451 8.8994 8.8994 9.4578 9.4578 9.4883 9.4883 9.9852 9.9852 9.9884 9.9884 10.6763 10.6763 10.6907 10.6907 11.4385 11.4385 11.7597 11.7597 12.6798 12.6798 12.8586 12.8586 k = 0.0000 0.0000 0.1863 ( 5497 PWs) bands (ev): -67.5616 -67.5616 -67.5478 -67.5478 -37.3554 -37.3554 -37.3333 -37.3333 -36.2074 -36.2074 -36.1682 -36.1682 -36.0801 -36.0801 -36.0727 -36.0727 -1.6209 -1.6209 -0.2165 -0.2165 6.2352 6.2352 8.1029 8.1029 8.1767 8.1767 8.8690 8.8690 9.3896 9.3896 9.4249 9.4249 10.0047 10.0047 10.0076 10.0076 10.6487 10.6487 10.6613 10.6613 11.3515 11.3515 11.6991 11.6991 12.7686 12.7686 12.9467 12.9467 k = 0.0000 0.0000 0.1979 ( 5509 PWs) bands (ev): -67.5636 -67.5636 -67.5481 -67.5481 -37.3546 -37.3546 -37.3341 -37.3341 -36.2061 -36.2061 -36.1697 -36.1697 -36.0798 -36.0798 -36.0729 -36.0729 -1.5816 -1.5816 -0.2845 -0.2845 6.3597 6.3597 8.1365 8.1365 8.2096 8.2096 8.8275 8.8275 9.3198 9.3198 9.3594 9.3594 10.0247 10.0247 10.0273 10.0273 10.6123 10.6123 10.6230 10.6230 11.2712 11.2712 11.6383 11.6383 12.8551 12.8551 13.0322 13.0322 k = 0.0000 0.0000 0.2095 ( 5496 PWs) bands (ev): -67.5613 -67.5613 -67.5482 -67.5482 -37.3537 -37.3537 -37.3349 -37.3349 -36.2046 -36.2046 -36.1712 -36.1712 -36.0795 -36.0795 -36.0732 -36.0732 -1.5401 -1.5401 -0.3529 -0.3529 6.4877 6.4877 8.1757 8.1757 8.2486 8.2486 8.7840 8.7840 9.2528 9.2528 9.2959 9.2959 10.0497 10.0497 10.0522 10.0522 10.5848 10.5848 10.5940 10.5940 11.2031 11.2031 11.5800 11.5800 12.9447 12.9447 13.1205 13.1205 k = 0.0000 0.0000 0.2212 ( 5496 PWs) bands (ev): -67.5610 -67.5610 -67.5484 -67.5484 -37.3528 -37.3528 -37.3357 -37.3357 -36.2031 -36.2031 -36.1728 -36.1728 -36.0792 -36.0792 -36.0735 -36.0735 -1.4964 -1.4964 -0.4217 -0.4217 6.6181 6.6181 8.2138 8.2138 8.2860 8.2860 8.7268 8.7268 9.1865 9.1865 9.2325 9.2325 10.0723 10.0723 10.0746 10.0746 10.5561 10.5561 10.5642 10.5642 11.1425 11.1425 11.5201 11.5201 13.0339 13.0339 13.2081 13.2081 k = 0.0000 0.0000 0.2328 ( 5496 PWs) bands (ev): -67.5608 -67.5608 -67.5487 -67.5487 -37.3519 -37.3519 -37.3366 -37.3366 -36.2016 -36.2016 -36.1744 -36.1744 -36.0789 -36.0789 -36.0738 -36.0738 -1.4507 -1.4507 -0.4904 -0.4904 6.7507 6.7507 8.2538 8.2538 8.3252 8.3252 8.6597 8.6597 9.1210 9.1210 9.1696 9.1696 10.0958 10.0958 10.0980 10.0980 10.5272 10.5272 10.5343 10.5343 11.0927 11.0927 11.4612 11.4612 13.1226 13.1226 13.2952 13.2952 k = 0.0000 0.0000 0.2445 ( 5490 PWs) bands (ev): -67.5594 -67.5594 -67.5489 -67.5489 -37.3510 -37.3510 -37.3374 -37.3374 -36.2000 -36.2000 -36.1760 -36.1760 -36.0786 -36.0786 -36.0741 -36.0741 -1.4029 -1.4029 -0.5588 -0.5588 6.8850 6.8850 8.2958 8.2958 8.3663 8.3663 8.5877 8.5877 9.0570 9.0570 9.1077 9.1077 10.1202 10.1202 10.1224 10.1224 10.4998 10.4998 10.5061 10.5061 11.0576 11.0576 11.4039 11.4039 13.2112 13.2112 13.3821 13.3821 k = 0.0000 0.0000 0.2561 ( 5490 PWs) bands (ev): -67.5591 -67.5591 -67.5492 -67.5492 -37.3500 -37.3500 -37.3384 -37.3384 -36.1984 -36.1984 -36.1777 -36.1777 -36.0783 -36.0783 -36.0744 -36.0744 -1.3531 -1.3531 -0.6268 -0.6268 7.0205 7.0205 8.3396 8.3396 8.4092 8.4092 8.5008 8.5008 8.9935 8.9935 9.0463 9.0463 10.1454 10.1454 10.1476 10.1476 10.4706 10.4706 10.4761 10.4761 11.0304 11.0304 11.3485 11.3485 13.2983 13.2983 13.4673 13.4673 k = 0.0000 0.0000 0.2677 ( 5490 PWs) bands (ev): -67.5588 -67.5588 -67.5494 -67.5494 -37.3490 -37.3490 -37.3393 -37.3393 -36.1967 -36.1967 -36.1794 -36.1794 -36.0780 -36.0780 -36.0747 -36.0747 -1.3014 -1.3014 -0.6942 -0.6942 7.1568 7.1568 8.3852 8.3852 8.4050 8.4050 8.4538 8.4538 8.9311 8.9311 8.9858 8.9858 10.1713 10.1713 10.1736 10.1736 10.4413 10.4413 10.4462 10.4462 11.0141 11.0141 11.2955 11.2955 13.3842 13.3842 13.5514 13.5514 k = 0.0000 0.0000 0.2794 ( 5514 PWs) bands (ev): -67.5585 -67.5585 -67.5540 -67.5540 -37.3481 -37.3481 -37.3402 -37.3402 -36.1952 -36.1952 -36.1812 -36.1812 -36.0777 -36.0777 -36.0751 -36.0751 -1.2478 -1.2478 -0.7609 -0.7609 7.2887 7.2887 8.3010 8.3010 8.4296 8.4296 8.4973 8.4973 8.8687 8.8687 8.9251 8.9251 10.1879 10.1879 10.1901 10.1901 10.4109 10.4109 10.4153 10.4153 11.0080 11.0080 11.2275 11.2275 13.4678 13.4678 13.6331 13.6331 k = 0.0000 0.0000 0.2910 ( 5520 PWs) bands (ev): -67.5572 -67.5572 -67.5564 -67.5564 -37.3472 -37.3472 -37.3412 -37.3412 -36.1935 -36.1935 -36.1829 -36.1829 -36.0773 -36.0773 -36.0754 -36.0754 -1.1923 -1.1923 -0.8265 -0.8265 7.4242 7.4242 8.1871 8.1871 8.4790 8.4790 8.5458 8.5458 8.8071 8.8071 8.8648 8.8648 10.2121 10.2121 10.2143 10.2143 10.3832 10.3832 10.3872 10.3872 11.0080 11.0080 11.1792 11.1792 13.5495 13.5495 13.7129 13.7129 k = 0.0000 0.0000 0.3027 ( 5508 PWs) bands (ev): -67.5569 -67.5569 -67.5546 -67.5546 -37.3461 -37.3461 -37.3422 -37.3422 -36.1917 -36.1917 -36.1847 -36.1847 -36.0770 -36.0770 -36.0757 -36.0757 -1.1352 -1.1352 -0.8909 -0.8909 7.5588 7.5588 8.0699 8.0699 8.5315 8.5315 8.5970 8.5970 8.7506 8.7506 8.8104 8.8104 10.2451 10.2451 10.2475 10.2475 10.3562 10.3562 10.3597 10.3597 11.0196 11.0196 11.1376 11.1376 13.6331 13.6331 13.7944 13.7944 k = 0.0000 0.0000 0.3143 ( 5508 PWs) bands (ev): -67.5566 -67.5566 -67.5549 -67.5549 -37.3451 -37.3451 -37.3432 -37.3432 -36.1900 -36.1900 -36.1865 -36.1865 -36.0767 -36.0767 -36.0760 -36.0760 -1.0764 -1.0764 -0.9541 -0.9541 7.6916 7.6916 7.9475 7.9475 8.5841 8.5841 8.6483 8.6483 8.6933 8.6933 8.7547 8.7547 10.2731 10.2731 10.2758 10.2758 10.3272 10.3272 10.3303 10.3303 11.0389 11.0389 11.0998 11.0998 13.7125 13.7125 13.8662 13.8662 k = 0.0000 0.0000 0.3260 ( 5502 PWs) bands (ev): -67.5552 -67.5552 -67.5552 -67.5552 -37.3441 -37.3441 -37.3441 -37.3441 -36.1882 -36.1882 -36.1882 -36.1882 -36.0763 -36.0763 -36.0763 -36.0763 -1.0159 -1.0159 -1.0159 -1.0159 7.8218 7.8218 7.8218 7.8218 8.6385 8.6385 8.6385 8.6385 8.7013 8.7013 8.7013 8.7013 10.3018 10.3018 10.3018 10.3018 10.3047 10.3047 10.3047 10.3047 11.0674 11.0674 11.0674 11.0674 13.7912 13.7912 13.7912 13.7912 k = 0.0000 0.0000 0.3260 ( 5502 PWs) bands (ev): -67.5552 -67.5552 -67.5552 -67.5552 -37.3441 -37.3441 -37.3441 -37.3441 -36.1882 -36.1882 -36.1882 -36.1882 -36.0763 -36.0763 -36.0763 -36.0763 -1.0159 -1.0159 -1.0159 -1.0159 7.8218 7.8218 7.8218 7.8218 8.6385 8.6385 8.6385 8.6385 8.7013 8.7013 8.7013 8.7013 10.3018 10.3018 10.3018 10.3018 10.3047 10.3047 10.3047 10.3047 11.0674 11.0674 11.0674 11.0674 13.7912 13.7912 13.7912 13.7912 k = 0.0102 0.0059 0.3260 ( 5504 PWs) bands (ev): -67.5554 -67.5554 -67.5554 -67.5554 -37.3441 -37.3441 -37.3441 -37.3441 -36.1882 -36.1882 -36.1882 -36.1882 -36.0764 -36.0764 -36.0764 -36.0764 -1.0149 -1.0149 -1.0149 -1.0149 7.8198 7.8198 7.8198 7.8198 8.6379 8.6379 8.6379 8.6379 8.7007 8.7007 8.7007 8.7007 10.3003 10.3003 10.3003 10.3003 10.3047 10.3047 10.3047 10.3047 11.0692 11.0692 11.0692 11.0692 13.7869 13.7869 13.7869 13.7869 k = 0.0204 0.0118 0.3260 ( 5508 PWs) bands (ev): -67.5558 -67.5558 -67.5558 -67.5558 -37.3441 -37.3441 -37.3441 -37.3441 -36.1882 -36.1882 -36.1882 -36.1882 -36.0764 -36.0764 -36.0764 -36.0764 -1.0119 -1.0119 -1.0119 -1.0119 7.8139 7.8139 7.8139 7.8139 8.6359 8.6359 8.6359 8.6359 8.6990 8.6990 8.6990 8.6990 10.2969 10.2969 10.2969 10.2969 10.3057 10.3057 10.3057 10.3057 11.0747 11.0747 11.0747 11.0747 13.7735 13.7735 13.7735 13.7735 k = 0.0306 0.0177 0.3260 ( 5524 PWs) bands (ev): -67.5572 -67.5572 -67.5572 -67.5572 -37.3442 -37.3442 -37.3442 -37.3442 -36.1883 -36.1883 -36.1883 -36.1883 -36.0765 -36.0765 -36.0765 -36.0765 -1.0070 -1.0070 -1.0070 -1.0070 7.8045 7.8045 7.8045 7.8045 8.6308 8.6308 8.6308 8.6308 8.6941 8.6941 8.6941 8.6941 10.2901 10.2901 10.2901 10.2901 10.3028 10.3028 10.3028 10.3028 11.0834 11.0834 11.0834 11.0834 13.7480 13.7480 13.7480 13.7480 k = 0.0408 0.0236 0.3260 ( 5532 PWs) bands (ev): -67.5579 -67.5579 -67.5579 -67.5579 -37.3442 -37.3442 -37.3442 -37.3442 -36.1883 -36.1883 -36.1883 -36.1883 -36.0765 -36.0765 -36.0765 -36.0765 -1.0000 -1.0000 -1.0000 -1.0000 7.7916 7.7916 7.7916 7.7916 8.6263 8.6263 8.6263 8.6263 8.6900 8.6900 8.6900 8.6900 10.2844 10.2844 10.2844 10.2844 10.3009 10.3009 10.3009 10.3009 11.0984 11.0984 11.0984 11.0984 13.7131 13.7131 13.7131 13.7131 k = 0.0510 0.0295 0.3260 ( 5532 PWs) bands (ev): -67.5579 -67.5579 -67.5579 -67.5579 -37.3442 -37.3442 -37.3442 -37.3442 -36.1883 -36.1883 -36.1883 -36.1883 -36.0766 -36.0766 -36.0766 -36.0766 -0.9910 -0.9910 -0.9910 -0.9910 7.7748 7.7748 7.7748 7.7748 8.6220 8.6220 8.6220 8.6220 8.6865 8.6865 8.6865 8.6865 10.2816 10.2816 10.2816 10.2816 10.3026 10.3026 10.3026 10.3026 11.1168 11.1168 11.1168 11.1168 13.6679 13.6679 13.6679 13.6679 k = 0.0612 0.0353 0.3260 ( 5528 PWs) bands (ev): -67.5575 -67.5575 -67.5575 -67.5575 -37.3442 -37.3442 -37.3442 -37.3442 -36.1883 -36.1883 -36.1883 -36.1883 -36.0766 -36.0766 -36.0766 -36.0766 -0.9800 -0.9800 -0.9800 -0.9800 7.7545 7.7545 7.7545 7.7545 8.6180 8.6180 8.6180 8.6180 8.6836 8.6836 8.6836 8.6836 10.2769 10.2769 10.2769 10.2769 10.3048 10.3048 10.3048 10.3048 11.1409 11.1409 11.1409 11.1409 13.6131 13.6131 13.6131 13.6131 k = 0.0714 0.0412 0.3260 ( 5526 PWs) bands (ev): -67.5573 -67.5573 -67.5573 -67.5573 -37.3443 -37.3443 -37.3443 -37.3443 -36.1883 -36.1883 -36.1883 -36.1883 -36.0767 -36.0767 -36.0767 -36.0767 -0.9671 -0.9671 -0.9671 -0.9671 7.7298 7.7298 7.7298 7.7298 8.6132 8.6132 8.6132 8.6132 8.6800 8.6800 8.6800 8.6800 10.2718 10.2718 10.2718 10.2718 10.3082 10.3082 10.3082 10.3082 11.1665 11.1665 11.1665 11.1665 13.5487 13.5487 13.5487 13.5487 k = 0.0816 0.0471 0.3260 ( 5520 PWs) bands (ev): -67.5568 -67.5568 -67.5568 -67.5568 -37.3443 -37.3443 -37.3443 -37.3443 -36.1883 -36.1883 -36.1883 -36.1883 -36.0767 -36.0767 -36.0767 -36.0767 -0.9522 -0.9522 -0.9522 -0.9522 7.7019 7.7019 7.7019 7.7019 8.6082 8.6082 8.6082 8.6082 8.6765 8.6765 8.6765 8.6765 10.2665 10.2665 10.2665 10.2665 10.3116 10.3116 10.3116 10.3116 11.1985 11.1985 11.1985 11.1985 13.4763 13.4763 13.4763 13.4763 k = 0.0918 0.0530 0.3260 ( 5528 PWs) bands (ev): -67.5575 -67.5575 -67.5575 -67.5575 -37.3443 -37.3443 -37.3443 -37.3443 -36.1883 -36.1883 -36.1883 -36.1883 -36.0768 -36.0768 -36.0768 -36.0768 -0.9355 -0.9355 -0.9355 -0.9355 7.6689 7.6689 7.6689 7.6689 8.6015 8.6015 8.6015 8.6015 8.6711 8.6711 8.6711 8.6711 10.2563 10.2563 10.2563 10.2563 10.3127 10.3127 10.3127 10.3127 11.2300 11.2300 11.2300 11.2300 13.3961 13.3961 13.3961 13.3961 k = 0.1020 0.0589 0.3260 ( 5524 PWs) bands (ev): -67.5571 -67.5571 -67.5571 -67.5571 -37.3444 -37.3444 -37.3444 -37.3444 -36.1884 -36.1884 -36.1884 -36.1884 -36.0769 -36.0769 -36.0769 -36.0769 -0.9169 -0.9169 -0.9169 -0.9169 7.6324 7.6324 7.6324 7.6324 8.5969 8.5969 8.5969 8.5969 8.6676 8.6676 8.6676 8.6676 10.2477 10.2477 10.2477 10.2477 10.3168 10.3168 10.3168 10.3168 11.2666 11.2666 11.2666 11.2666 13.3145 13.3145 13.3145 13.3145 k = 0.1122 0.0648 0.3260 ( 5524 PWs) bands (ev): -67.5571 -67.5571 -67.5571 -67.5571 -37.3444 -37.3444 -37.3444 -37.3444 -36.1884 -36.1884 -36.1884 -36.1884 -36.0770 -36.0770 -36.0770 -36.0770 -0.8965 -0.8965 -0.8965 -0.8965 7.5915 7.5915 7.5915 7.5915 8.5920 8.5920 8.5920 8.5920 8.6637 8.6637 8.6637 8.6637 10.2367 10.2367 10.2367 10.2367 10.3216 10.3216 10.3216 10.3216 11.3039 11.3039 11.3039 11.3039 13.2291 13.2291 13.2291 13.2291 k = 0.1224 0.0707 0.3260 ( 5528 PWs) bands (ev): -67.5574 -67.5574 -67.5574 -67.5574 -37.3445 -37.3445 -37.3445 -37.3445 -36.1884 -36.1884 -36.1884 -36.1884 -36.0772 -36.0772 -36.0772 -36.0772 -0.8743 -0.8743 -0.8743 -0.8743 7.5462 7.5462 7.5462 7.5462 8.5869 8.5869 8.5869 8.5869 8.6597 8.6597 8.6597 8.6597 10.2218 10.2218 10.2218 10.2218 10.3286 10.3286 10.3286 10.3286 11.3421 11.3421 11.3421 11.3421 13.1404 13.1404 13.1404 13.1404 k = 0.1327 0.0766 0.3260 ( 5532 PWs) bands (ev): -67.5577 -67.5577 -67.5577 -67.5577 -37.3445 -37.3445 -37.3445 -37.3445 -36.1885 -36.1885 -36.1885 -36.1885 -36.0773 -36.0773 -36.0773 -36.0773 -0.8503 -0.8503 -0.8503 -0.8503 7.4970 7.4970 7.4970 7.4970 8.5828 8.5828 8.5828 8.5828 8.6561 8.6561 8.6561 8.6561 10.2073 10.2073 10.2073 10.2073 10.3345 10.3345 10.3345 10.3345 11.3789 11.3789 11.3789 11.3789 13.0531 13.0531 13.0531 13.0531 k = 0.1429 0.0825 0.3260 ( 5516 PWs) bands (ev): -67.5563 -67.5563 -67.5563 -67.5563 -37.3446 -37.3446 -37.3446 -37.3446 -36.1885 -36.1885 -36.1885 -36.1885 -36.0774 -36.0774 -36.0774 -36.0774 -0.8246 -0.8246 -0.8246 -0.8246 7.4462 7.4462 7.4462 7.4462 8.5816 8.5816 8.5816 8.5816 8.6544 8.6544 8.6544 8.6544 10.1982 10.1982 10.1982 10.1982 10.3428 10.3428 10.3428 10.3428 11.4224 11.4224 11.4224 11.4224 12.9734 12.9734 12.9734 12.9734 k = 0.1531 0.0884 0.3260 ( 5520 PWs) bands (ev): -67.5566 -67.5566 -67.5566 -67.5566 -37.3446 -37.3446 -37.3446 -37.3446 -36.1885 -36.1885 -36.1885 -36.1885 -36.0775 -36.0775 -36.0775 -36.0775 -0.7973 -0.7973 -0.7973 -0.7973 7.3909 7.3909 7.3909 7.3909 8.5776 8.5776 8.5776 8.5776 8.6499 8.6499 8.6499 8.6499 10.1834 10.1834 10.1834 10.1834 10.3486 10.3486 10.3486 10.3486 11.4629 11.4629 11.4629 11.4629 12.8902 12.8902 12.8902 12.8902 k = 0.1633 0.0943 0.3260 ( 5520 PWs) bands (ev): -67.5566 -67.5566 -67.5566 -67.5566 -37.3447 -37.3447 -37.3447 -37.3447 -36.1885 -36.1885 -36.1885 -36.1885 -36.0777 -36.0777 -36.0777 -36.0777 -0.7685 -0.7685 -0.7685 -0.7685 7.3322 7.3322 7.3322 7.3322 8.5742 8.5742 8.5742 8.5742 8.6467 8.6467 8.6467 8.6467 10.1686 10.1686 10.1686 10.1686 10.3577 10.3577 10.3577 10.3577 11.5018 11.5018 11.5018 11.5018 12.8106 12.8106 12.8106 12.8106 k = 0.1735 0.1002 0.3260 ( 5512 PWs) bands (ev): -67.5559 -67.5559 -67.5559 -67.5559 -37.3447 -37.3447 -37.3447 -37.3447 -36.1885 -36.1885 -36.1885 -36.1885 -36.0778 -36.0778 -36.0778 -36.0778 -0.7380 -0.7380 -0.7380 -0.7380 7.2709 7.2709 7.2709 7.2709 8.5724 8.5724 8.5724 8.5724 8.6455 8.6455 8.6455 8.6455 10.1545 10.1545 10.1545 10.1545 10.3684 10.3684 10.3684 10.3684 11.5401 11.5401 11.5401 11.5401 12.7386 12.7386 12.7386 12.7386 k = 0.1837 0.1060 0.3260 ( 5518 PWs) bands (ev): -67.5564 -67.5564 -67.5564 -67.5564 -37.3448 -37.3448 -37.3448 -37.3448 -36.1886 -36.1886 -36.1886 -36.1886 -36.0780 -36.0780 -36.0780 -36.0780 -0.7062 -0.7062 -0.7062 -0.7062 7.2066 7.2066 7.2066 7.2066 8.5686 8.5686 8.5686 8.5686 8.6430 8.6430 8.6430 8.6430 10.1362 10.1362 10.1362 10.1362 10.3764 10.3764 10.3765 10.3765 11.5730 11.5730 11.5730 11.5730 12.6692 12.6692 12.6692 12.6692 k = 0.1939 0.1119 0.3260 ( 5516 PWs) bands (ev): -67.5562 -67.5562 -67.5562 -67.5562 -37.3449 -37.3449 -37.3449 -37.3449 -36.1886 -36.1886 -36.1886 -36.1886 -36.0781 -36.0781 -36.0781 -36.0781 -0.6729 -0.6729 -0.6729 -0.6729 7.1404 7.1404 7.1404 7.1404 8.5645 8.5645 8.5645 8.5645 8.6411 8.6411 8.6411 8.6411 10.1222 10.1222 10.1222 10.1222 10.3874 10.3874 10.3874 10.3874 11.6027 11.6027 11.6027 11.6027 12.6097 12.6097 12.6097 12.6097 k = 0.2041 0.1178 0.3260 ( 5508 PWs) bands (ev): -67.5555 -67.5555 -67.5555 -67.5555 -37.3449 -37.3449 -37.3449 -37.3449 -36.1886 -36.1886 -36.1886 -36.1886 -36.0783 -36.0783 -36.0783 -36.0783 -0.6384 -0.6384 -0.6384 -0.6384 7.0725 7.0725 7.0725 7.0725 8.5603 8.5603 8.5603 8.5603 8.6401 8.6401 8.6401 8.6401 10.1100 10.1100 10.1100 10.1100 10.4018 10.4018 10.4018 10.4018 11.6268 11.6268 11.6268 11.6268 12.5613 12.5613 12.5613 12.5613 k = 0.2143 0.1237 0.3260 ( 5512 PWs) bands (ev): -67.5558 -67.5558 -67.5558 -67.5558 -37.3450 -37.3450 -37.3450 -37.3450 -36.1887 -36.1887 -36.1887 -36.1887 -36.0784 -36.0784 -36.0784 -36.0784 -0.6027 -0.6027 -0.6027 -0.6027 7.0023 7.0023 7.0023 7.0023 8.5545 8.5545 8.5545 8.5545 8.6385 8.6385 8.6385 8.6385 10.0943 10.0943 10.0943 10.0943 10.4137 10.4137 10.4137 10.4137 11.6399 11.6399 11.6399 11.6399 12.5225 12.5225 12.5225 12.5225 k = 0.2245 0.1296 0.3260 ( 5506 PWs) bands (ev): -67.5552 -67.5552 -67.5552 -67.5552 -37.3451 -37.3451 -37.3451 -37.3451 -36.1887 -36.1887 -36.1887 -36.1887 -36.0786 -36.0786 -36.0786 -36.0786 -0.5659 -0.5659 -0.5659 -0.5659 6.9317 6.9317 6.9317 6.9317 8.5495 8.5495 8.5495 8.5495 8.6383 8.6383 8.6383 8.6383 10.0792 10.0792 10.0792 10.0792 10.4280 10.4280 10.4280 10.4280 11.6461 11.6461 11.6461 11.6461 12.5003 12.5003 12.5003 12.5003 k = 0.2347 0.1355 0.3260 ( 5500 PWs) bands (ev): -67.5547 -67.5547 -67.5547 -67.5547 -37.3451 -37.3451 -37.3451 -37.3451 -36.1888 -36.1888 -36.1888 -36.1888 -36.0787 -36.0787 -36.0787 -36.0787 -0.5280 -0.5280 -0.5280 -0.5280 6.8595 6.8595 6.8595 6.8595 8.5433 8.5433 8.5433 8.5433 8.6377 8.6377 8.6377 8.6377 10.0671 10.0671 10.0671 10.0671 10.4425 10.4425 10.4425 10.4425 11.6436 11.6436 11.6436 11.6436 12.4911 12.4911 12.4911 12.4911 k = 0.2449 0.1414 0.3260 ( 5504 PWs) bands (ev): -67.5550 -67.5550 -67.5550 -67.5550 -37.3452 -37.3452 -37.3452 -37.3452 -36.1888 -36.1888 -36.1888 -36.1888 -36.0789 -36.0789 -36.0789 -36.0789 -0.4893 -0.4893 -0.4893 -0.4893 6.7857 6.7857 6.7857 6.7857 8.5353 8.5353 8.5353 8.5353 8.6360 8.6360 8.6360 8.6360 10.0511 10.0511 10.0511 10.0511 10.4595 10.4595 10.4595 10.4595 11.6281 11.6281 11.6281 11.6281 12.4925 12.4925 12.4925 12.4925 k = 0.2551 0.1473 0.3260 ( 5500 PWs) bands (ev): -67.5546 -67.5546 -67.5546 -67.5546 -37.3453 -37.3453 -37.3453 -37.3453 -36.1888 -36.1888 -36.1888 -36.1888 -36.0791 -36.0791 -36.0791 -36.0791 -0.4498 -0.4498 -0.4498 -0.4498 6.7116 6.7116 6.7116 6.7116 8.5280 8.5280 8.5280 8.5280 8.6350 8.6350 8.6350 8.6350 10.0394 10.0394 10.0394 10.0394 10.4774 10.4774 10.4774 10.4774 11.6051 11.6051 11.6051 11.6051 12.5083 12.5083 12.5083 12.5083 k = 0.2653 0.1532 0.3260 ( 5502 PWs) bands (ev): -67.5548 -67.5548 -67.5548 -67.5548 -37.3454 -37.3454 -37.3454 -37.3454 -36.1889 -36.1889 -36.1889 -36.1889 -36.0792 -36.0792 -36.0792 -36.0792 -0.4097 -0.4097 -0.4097 -0.4097 6.6368 6.6368 6.6368 6.6368 8.5199 8.5199 8.5199 8.5199 8.6332 8.6332 8.6332 8.6332 10.0278 10.0278 10.0278 10.0278 10.4936 10.4936 10.4936 10.4936 11.5729 11.5729 11.5729 11.5729 12.5336 12.5336 12.5336 12.5336 k = 0.2755 0.1591 0.3260 ( 5506 PWs) bands (ev): -67.5551 -67.5551 -67.5551 -67.5551 -37.3454 -37.3454 -37.3454 -37.3454 -36.1889 -36.1889 -36.1889 -36.1889 -36.0794 -36.0794 -36.0794 -36.0794 -0.3691 -0.3691 -0.3691 -0.3691 6.5615 6.5615 6.5615 6.5615 8.5117 8.5117 8.5117 8.5117 8.6308 8.6308 8.6308 8.6308 10.0155 10.0155 10.0155 10.0155 10.5113 10.5113 10.5113 10.5113 11.5369 11.5369 11.5369 11.5369 12.5646 12.5646 12.5646 12.5646 k = 0.2857 0.1650 0.3260 ( 5506 PWs) bands (ev): -67.5551 -67.5551 -67.5551 -67.5551 -37.3455 -37.3455 -37.3455 -37.3455 -36.1890 -36.1890 -36.1890 -36.1890 -36.0796 -36.0796 -36.0796 -36.0796 -0.3281 -0.3281 -0.3281 -0.3281 6.4868 6.4868 6.4868 6.4868 8.5035 8.5035 8.5035 8.5035 8.6280 8.6280 8.6280 8.6280 10.0078 10.0078 10.0078 10.0078 10.5281 10.5281 10.5281 10.5281 11.4967 11.4967 11.4967 11.4967 12.6051 12.6051 12.6051 12.6051 k = 0.2959 0.1708 0.3260 ( 5510 PWs) bands (ev): -67.5554 -67.5554 -67.5554 -67.5554 -37.3456 -37.3456 -37.3456 -37.3456 -36.1890 -36.1890 -36.1890 -36.1890 -36.0797 -36.0797 -36.0797 -36.0797 -0.2870 -0.2870 -0.2870 -0.2870 6.4128 6.4128 6.4128 6.4128 8.4947 8.4947 8.4947 8.4947 8.6243 8.6243 8.6243 8.6243 9.9985 9.9985 9.9985 9.9985 10.5446 10.5446 10.5446 10.5446 11.4560 11.4560 11.4560 11.4560 12.6488 12.6488 12.6488 12.6488 k = 0.3061 0.1767 0.3260 ( 5506 PWs) bands (ev): -67.5550 -67.5550 -67.5550 -67.5550 -37.3456 -37.3456 -37.3456 -37.3456 -36.1891 -36.1891 -36.1891 -36.1891 -36.0799 -36.0799 -36.0799 -36.0799 -0.2458 -0.2458 -0.2458 -0.2458 6.3396 6.3396 6.3396 6.3396 8.4868 8.4868 8.4868 8.4868 8.6202 8.6202 8.6202 8.6202 9.9928 9.9928 9.9928 9.9928 10.5662 10.5662 10.5662 10.5662 11.4138 11.4138 11.4138 11.4138 12.6981 12.6981 12.6981 12.6981 k = 0.3163 0.1826 0.3260 ( 5514 PWs) bands (ev): -67.5557 -67.5557 -67.5557 -67.5557 -37.3457 -37.3457 -37.3457 -37.3457 -36.1891 -36.1891 -36.1891 -36.1891 -36.0801 -36.0801 -36.0801 -36.0801 -0.2049 -0.2049 -0.2049 -0.2049 6.2674 6.2674 6.2674 6.2674 8.4778 8.4778 8.4778 8.4778 8.6143 8.6143 8.6143 8.6143 9.9845 9.9845 9.9845 9.9845 10.5837 10.5837 10.5837 10.5837 11.3709 11.3709 11.3709 11.3709 12.7459 12.7459 12.7459 12.7459 k = 0.3265 0.1885 0.3260 ( 5518 PWs) bands (ev): -67.5560 -67.5560 -67.5560 -67.5560 -37.3458 -37.3458 -37.3458 -37.3458 -36.1892 -36.1892 -36.1892 -36.1892 -36.0802 -36.0802 -36.0802 -36.0802 -0.1643 -0.1643 -0.1643 -0.1643 6.1963 6.1963 6.1963 6.1963 8.4690 8.4690 8.4690 8.4690 8.6079 8.6079 8.6079 8.6079 9.9794 9.9794 9.9794 9.9794 10.6039 10.6039 10.6039 10.6039 11.3305 11.3305 11.3305 11.3305 12.7929 12.7929 12.7929 12.7929 k = 0.3367 0.1944 0.3260 ( 5522 PWs) bands (ev): -67.5563 -67.5563 -67.5563 -67.5563 -37.3459 -37.3459 -37.3459 -37.3459 -36.1892 -36.1892 -36.1892 -36.1892 -36.0804 -36.0804 -36.0804 -36.0804 -0.1243 -0.1243 -0.1243 -0.1243 6.1275 6.1275 6.1275 6.1275 8.4607 8.4607 8.4607 8.4607 8.6009 8.6009 8.6009 8.6009 9.9753 9.9753 9.9753 9.9753 10.6198 10.6198 10.6198 10.6198 11.2928 11.2928 11.2928 11.2928 12.8309 12.8309 12.8309 12.8309 k = 0.3469 0.2003 0.3260 ( 5522 PWs) bands (ev): -67.5563 -67.5563 -67.5563 -67.5563 -37.3459 -37.3459 -37.3459 -37.3459 -36.1893 -36.1893 -36.1893 -36.1893 -36.0805 -36.0805 -36.0805 -36.0805 -0.0850 -0.0850 -0.0850 -0.0850 6.0603 6.0603 6.0603 6.0603 8.4522 8.4522 8.4522 8.4522 8.5939 8.5939 8.5939 8.5939 9.9760 9.9760 9.9760 9.9760 10.6383 10.6383 10.6383 10.6383 11.2556 11.2556 11.2556 11.2556 12.8260 12.8260 12.8260 12.8260 k = 0.3571 0.2062 0.3260 ( 5510 PWs) bands (ev): -67.5553 -67.5553 -67.5553 -67.5553 -37.3460 -37.3460 -37.3460 -37.3460 -36.1893 -36.1893 -36.1893 -36.1893 -36.0806 -36.0806 -36.0806 -36.0806 -0.0466 -0.0466 -0.0466 -0.0466 5.9957 5.9957 5.9957 5.9957 8.4463 8.4463 8.4463 8.4463 8.5874 8.5874 8.5874 8.5874 9.9796 9.9796 9.9796 9.9796 10.6601 10.6601 10.6601 10.6601 11.2224 11.2224 11.2224 11.2224 12.8016 12.8016 12.8016 12.8016 k = 0.3673 0.2121 0.3260 ( 5520 PWs) bands (ev): -67.5561 -67.5561 -67.5561 -67.5561 -37.3460 -37.3460 -37.3460 -37.3460 -36.1893 -36.1893 -36.1893 -36.1893 -36.0808 -36.0808 -36.0808 -36.0808 -0.0096 -0.0096 -0.0096 -0.0096 5.9328 5.9328 5.9328 5.9328 8.4377 8.4377 8.4377 8.4377 8.5787 8.5787 8.5787 8.5787 9.9793 9.9793 9.9793 9.9793 10.6816 10.6816 10.6816 10.6816 11.1818 11.1818 11.1818 11.1818 12.7670 12.7670 12.7670 12.7670 k = 0.3776 0.2180 0.3260 ( 5524 PWs) bands (ev): -67.5565 -67.5565 -67.5565 -67.5565 -37.3461 -37.3461 -37.3461 -37.3461 -36.1894 -36.1894 -36.1894 -36.1894 -36.0809 -36.0809 -36.0809 -36.0809 0.0261 0.0261 0.0261 0.0261 5.8730 5.8730 5.8730 5.8730 8.4301 8.4301 8.4301 8.4301 8.5706 8.5706 8.5706 8.5706 9.9824 9.9824 9.9824 9.9824 10.7009 10.7009 10.7009 10.7009 11.1461 11.1461 11.1461 11.1461 12.7347 12.7347 12.7347 12.7347 k = 0.3878 0.2239 0.3260 ( 5532 PWs) bands (ev): -67.5572 -67.5572 -67.5572 -67.5572 -37.3462 -37.3462 -37.3462 -37.3462 -36.1894 -36.1894 -36.1894 -36.1894 -36.0810 -36.0810 -36.0810 -36.0810 0.0600 0.0600 0.0600 0.0600 5.8167 5.8167 5.8167 5.8167 8.4227 8.4227 8.4227 8.4227 8.5624 8.5624 8.5624 8.5624 9.9862 9.9862 9.9862 9.9862 10.7152 10.7152 10.7152 10.7152 11.1114 11.1114 11.1114 11.1114 12.7034 12.7034 12.7034 12.7034 k = 0.3980 0.2298 0.3260 ( 5536 PWs) bands (ev): -67.5575 -67.5575 -67.5575 -67.5575 -37.3462 -37.3462 -37.3462 -37.3462 -36.1895 -36.1895 -36.1895 -36.1895 -36.0811 -36.0811 -36.0811 -36.0811 0.0921 0.0921 0.0921 0.0921 5.7642 5.7642 5.7642 5.7642 8.4159 8.4159 8.4159 8.4159 8.5543 8.5543 8.5543 8.5543 9.9909 9.9909 9.9909 9.9909 10.7294 10.7294 10.7294 10.7294 11.0826 11.0826 11.0826 11.0826 12.6739 12.6739 12.6739 12.6739 k = 0.4082 0.2357 0.3260 ( 5538 PWs) bands (ev): -67.5577 -67.5577 -67.5577 -67.5577 -37.3462 -37.3462 -37.3462 -37.3462 -36.1895 -36.1895 -36.1895 -36.1895 -36.0812 -36.0812 -36.0812 -36.0812 0.1219 0.1219 0.1219 0.1219 5.7155 5.7155 5.7155 5.7155 8.4097 8.4097 8.4097 8.4097 8.5466 8.5466 8.5466 8.5466 9.9963 9.9963 9.9963 9.9963 10.7466 10.7466 10.7466 10.7466 11.0547 11.0547 11.0547 11.0547 12.6465 12.6465 12.6465 12.6465 k = 0.4184 0.2415 0.3260 ( 5536 PWs) bands (ev): -67.5575 -67.5575 -67.5575 -67.5575 -37.3463 -37.3463 -37.3463 -37.3463 -36.1895 -36.1895 -36.1895 -36.1895 -36.0813 -36.0813 -36.0813 -36.0813 0.1495 0.1495 0.1495 0.1495 5.6712 5.6712 5.6712 5.6712 8.4035 8.4035 8.4035 8.4035 8.5396 8.5396 8.5396 8.5396 10.0029 10.0029 10.0029 10.0029 10.7624 10.7624 10.7624 10.7624 11.0339 11.0339 11.0339 11.0339 12.6199 12.6199 12.6199 12.6199 k = 0.4286 0.2474 0.3260 ( 5540 PWs) bands (ev): -67.5578 -67.5578 -67.5578 -67.5578 -37.3463 -37.3463 -37.3463 -37.3463 -36.1895 -36.1895 -36.1895 -36.1895 -36.0814 -36.0814 -36.0814 -36.0814 0.1743 0.1743 0.1743 0.1743 5.6314 5.6314 5.6314 5.6314 8.3978 8.3978 8.3978 8.3978 8.5316 8.5316 8.5316 8.5316 10.0056 10.0056 10.0056 10.0056 10.7779 10.7779 10.7779 10.7779 11.0157 11.0157 11.0157 11.0157 12.5960 12.5960 12.5960 12.5960 k = 0.4388 0.2533 0.3260 ( 5536 PWs) bands (ev): -67.5574 -67.5574 -67.5574 -67.5574 -37.3463 -37.3463 -37.3463 -37.3463 -36.1895 -36.1895 -36.1895 -36.1895 -36.0815 -36.0815 -36.0815 -36.0815 0.1964 0.1964 0.1964 0.1964 5.5964 5.5964 5.5964 5.5964 8.3935 8.3935 8.3935 8.3935 8.5262 8.5262 8.5262 8.5262 10.0134 10.0134 10.0134 10.0134 10.7911 10.7911 10.7911 10.7911 10.9974 10.9974 10.9974 10.9974 12.5759 12.5759 12.5759 12.5759 k = 0.4490 0.2592 0.3260 ( 5536 PWs) bands (ev): -67.5574 -67.5574 -67.5574 -67.5574 -37.3464 -37.3464 -37.3464 -37.3464 -36.1896 -36.1896 -36.1896 -36.1896 -36.0815 -36.0815 -36.0815 -36.0815 0.2154 0.2154 0.2154 0.2154 5.5661 5.5661 5.5661 5.5661 8.3899 8.3899 8.3899 8.3899 8.5206 8.5206 8.5206 8.5206 10.0173 10.0173 10.0173 10.0173 10.8051 10.8051 10.8051 10.8051 10.9815 10.9815 10.9815 10.9815 12.5587 12.5587 12.5587 12.5587 k = 0.4592 0.2651 0.3260 ( 5536 PWs) bands (ev): -67.5574 -67.5574 -67.5574 -67.5574 -37.3464 -37.3464 -37.3464 -37.3464 -36.1896 -36.1896 -36.1896 -36.1896 -36.0816 -36.0816 -36.0816 -36.0816 0.2312 0.2312 0.2312 0.2312 5.5410 5.5410 5.5410 5.5410 8.3863 8.3863 8.3863 8.3863 8.5161 8.5161 8.5161 8.5161 10.0221 10.0221 10.0221 10.0221 10.8156 10.8156 10.8156 10.8156 10.9686 10.9686 10.9686 10.9686 12.5433 12.5433 12.5433 12.5433 k = 0.4694 0.2710 0.3260 ( 5542 PWs) bands (ev): -67.5579 -67.5579 -67.5579 -67.5579 -37.3464 -37.3464 -37.3464 -37.3464 -36.1896 -36.1896 -36.1896 -36.1896 -36.0816 -36.0816 -36.0816 -36.0816 0.2437 0.2437 0.2437 0.2437 5.5214 5.5214 5.5214 5.5214 8.3826 8.3826 8.3826 8.3826 8.5121 8.5121 8.5121 8.5121 10.0247 10.0247 10.0247 10.0247 10.8188 10.8188 10.8188 10.8188 10.9615 10.9615 10.9615 10.9615 12.5293 12.5293 12.5293 12.5293 k = 0.4796 0.2769 0.3260 ( 5544 PWs) bands (ev): -67.5581 -67.5581 -67.5581 -67.5581 -37.3464 -37.3464 -37.3464 -37.3464 -36.1896 -36.1896 -36.1896 -36.1896 -36.0816 -36.0816 -36.0816 -36.0816 0.2526 0.2526 0.2526 0.2526 5.5071 5.5071 5.5071 5.5071 8.3808 8.3808 8.3808 8.3808 8.5094 8.5094 8.5094 8.5094 10.0275 10.0275 10.0275 10.0275 10.8240 10.8240 10.8240 10.8240 10.9524 10.9524 10.9524 10.9524 12.5208 12.5208 12.5208 12.5208 k = 0.4898 0.2828 0.3260 ( 5544 PWs) bands (ev): -67.5581 -67.5581 -67.5581 -67.5581 -37.3464 -37.3464 -37.3464 -37.3464 -36.1896 -36.1896 -36.1896 -36.1896 -36.0817 -36.0817 -36.0817 -36.0817 0.2581 0.2581 0.2581 0.2581 5.4984 5.4984 5.4984 5.4984 8.3797 8.3797 8.3797 8.3797 8.5082 8.5082 8.5082 8.5082 10.0306 10.0306 10.0306 10.0306 10.8270 10.8270 10.8270 10.8270 10.9467 10.9467 10.9467 10.9467 12.5156 12.5156 12.5156 12.5156 k = 0.5000 0.2887 0.3260 ( 5536 PWs) bands (ev): -67.5574 -67.5574 -67.5574 -67.5574 -37.3464 -37.3464 -37.3464 -37.3464 -36.1896 -36.1896 -36.1896 -36.1896 -36.0816 -36.0816 -36.0816 -36.0816 0.2599 0.2599 0.2599 0.2599 5.4956 5.4956 5.4956 5.4956 8.3800 8.3800 8.3800 8.3800 8.5084 8.5084 8.5084 8.5084 10.0325 10.0325 10.0325 10.0325 10.8354 10.8354 10.8354 10.8354 10.9453 10.9453 10.9453 10.9453 12.5148 12.5148 12.5148 12.5148 k = 0.5000 0.2887 0.3260 ( 5536 PWs) bands (ev): -67.5574 -67.5574 -67.5574 -67.5574 -37.3464 -37.3464 -37.3464 -37.3464 -36.1896 -36.1896 -36.1896 -36.1896 -36.0816 -36.0816 -36.0816 -36.0816 0.2599 0.2599 0.2599 0.2599 5.4956 5.4956 5.4956 5.4956 8.3800 8.3800 8.3800 8.3800 8.5084 8.5084 8.5084 8.5084 10.0325 10.0325 10.0325 10.0325 10.8354 10.8354 10.8354 10.8354 10.9453 10.9453 10.9453 10.9453 12.5148 12.5148 12.5148 12.5148 k = 0.4943 0.2986 0.3260 ( 5544 PWs) bands (ev): -67.5581 -67.5581 -67.5581 -67.5581 -37.3464 -37.3464 -37.3464 -37.3464 -36.1896 -36.1896 -36.1896 -36.1896 -36.0817 -36.0817 -36.0817 -36.0817 0.2601 0.2601 0.2605 0.2605 5.4967 5.4967 5.4968 5.4968 8.3673 8.3673 8.3809 8.3809 8.5031 8.5031 8.5147 8.5147 10.0318 10.0318 10.0328 10.0328 10.8264 10.8264 10.8308 10.8308 10.9429 10.9429 10.9461 10.9461 12.5030 12.5030 12.5057 12.5057 k = 0.4885 0.3086 0.3260 ( 5544 PWs) bands (ev): -67.5581 -67.5581 -67.5581 -67.5581 -37.3464 -37.3464 -37.3464 -37.3464 -36.1896 -36.1896 -36.1896 -36.1896 -36.0817 -36.0817 -36.0817 -36.0817 0.2612 0.2612 0.2619 0.2619 5.5004 5.5004 5.5005 5.5005 8.3479 8.3479 8.3719 8.3719 8.5017 8.5017 8.5216 8.5216 10.0334 10.0334 10.0356 10.0356 10.8262 10.8262 10.8343 10.8343 10.9377 10.9377 10.9433 10.9433 12.4770 12.4770 12.4817 12.4817 k = 0.4828 0.3185 0.3260 ( 5540 PWs) bands (ev): -67.5577 -67.5577 -67.5577 -67.5577 -37.3464 -37.3464 -37.3464 -37.3464 -36.1896 -36.1896 -36.1896 -36.1896 -36.0817 -36.0817 -36.0817 -36.0817 0.2632 0.2632 0.2642 0.2642 5.5065 5.5065 5.5066 5.5066 8.3217 8.3217 8.3527 8.3527 8.5035 8.5035 8.5285 8.5285 10.0385 10.0385 10.0418 10.0418 10.8261 10.8261 10.8386 10.8386 10.9326 10.9326 10.9414 10.9414 12.4381 12.4381 12.4438 12.4438 k = 0.4770 0.3285 0.3260 ( 5542 PWs) bands (ev): -67.5579 -67.5579 -67.5579 -67.5579 -37.3465 -37.3465 -37.3464 -37.3464 -36.1896 -36.1896 -36.1896 -36.1896 -36.0817 -36.0817 -36.0817 -36.0817 0.2659 0.2659 0.2673 0.2673 5.5151 5.5151 5.5152 5.5152 8.2870 8.2870 8.3231 8.3231 8.5056 8.5056 8.5340 8.5340 10.0443 10.0443 10.0485 10.0485 10.8269 10.8269 10.8437 10.8437 10.9261 10.9261 10.9382 10.9382 12.3862 12.3862 12.3923 12.3923 k = 0.4713 0.3384 0.3260 ( 5546 PWs) bands (ev): -67.5582 -67.5582 -67.5582 -67.5582 -37.3465 -37.3465 -37.3465 -37.3465 -36.1896 -36.1896 -36.1896 -36.1896 -36.0817 -36.0817 -36.0817 -36.0817 0.2695 0.2695 0.2712 0.2712 5.5260 5.5260 5.5261 5.5261 8.2468 8.2468 8.2859 8.2859 8.5088 8.5088 8.5383 8.5383 10.0530 10.0530 10.0581 10.0581 10.8229 10.8229 10.8442 10.8442 10.9177 10.9177 10.9330 10.9330 12.3281 12.3281 12.3337 12.3337 k = 0.4655 0.3484 0.3260 ( 5542 PWs) bands (ev): -67.5579 -67.5579 -67.5579 -67.5579 -37.3465 -37.3465 -37.3465 -37.3465 -36.1896 -36.1896 -36.1896 -36.1896 -36.0817 -36.0817 -36.0817 -36.0817 0.2738 0.2738 0.2759 0.2759 5.5395 5.5395 5.5396 5.5396 8.2019 8.2019 8.2430 8.2430 8.5112 8.5112 8.5409 8.5409 10.0633 10.0633 10.0691 10.0691 10.8248 10.8248 10.8535 10.8535 10.9085 10.9085 10.9301 10.9301 12.2693 12.2693 12.2739 12.2739 k = 0.4598 0.3584 0.3260 ( 5542 PWs) bands (ev): -67.5579 -67.5579 -67.5579 -67.5579 -37.3465 -37.3465 -37.3465 -37.3465 -36.1896 -36.1896 -36.1896 -36.1896 -36.0818 -36.0818 -36.0817 -36.0817 0.2789 0.2789 0.2813 0.2813 5.5553 5.5553 5.5554 5.5554 8.1519 8.1519 8.1943 8.1943 8.5128 8.5128 8.5422 8.5422 10.0749 10.0749 10.0813 10.0813 10.8234 10.8234 10.8612 10.8612 10.8952 10.8952 10.9249 10.9249 12.2093 12.2093 12.2126 12.2126 k = 0.4540 0.3683 0.3260 ( 5542 PWs) bands (ev): -67.5579 -67.5579 -67.5579 -67.5579 -37.3465 -37.3465 -37.3465 -37.3465 -36.1896 -36.1896 -36.1896 -36.1896 -36.0818 -36.0818 -36.0818 -36.0818 0.2847 0.2847 0.2875 0.2875 5.5735 5.5735 5.5735 5.5735 8.0967 8.0967 8.1404 8.1404 8.5130 8.5130 8.5422 8.5422 10.0864 10.0864 10.0932 10.0932 10.8215 10.8215 10.8707 10.8707 10.8825 10.8825 10.9226 10.9226 12.1497 12.1497 12.1514 12.1514 k = 0.4483 0.3783 0.3260 ( 5550 PWs) bands (ev): -67.5586 -67.5586 -67.5586 -67.5586 -37.3465 -37.3465 -37.3465 -37.3465 -36.1897 -36.1897 -36.1897 -36.1897 -36.0818 -36.0818 -36.0818 -36.0818 0.2911 0.2911 0.2942 0.2942 5.5938 5.5938 5.5940 5.5940 8.0362 8.0362 8.0808 8.0808 8.5120 8.5120 8.5406 8.5406 10.0969 10.0969 10.1040 10.1040 10.8147 10.8147 10.8645 10.8645 10.8805 10.8805 10.9203 10.9203 12.0893 12.0893 12.0894 12.0894 k = 0.4425 0.3882 0.3260 ( 5558 PWs) bands (ev): -67.5593 -67.5593 -67.5593 -67.5593 -37.3465 -37.3465 -37.3465 -37.3465 -36.1897 -36.1897 -36.1897 -36.1897 -36.0819 -36.0819 -36.0819 -36.0819 0.2981 0.2981 0.3016 0.3016 5.6165 5.6165 5.6169 5.6169 7.9710 7.9710 8.0165 8.0165 8.5102 8.5102 8.5383 8.5383 10.1096 10.1096 10.1167 10.1167 10.8049 10.8049 10.8486 10.8486 10.8876 10.8876 10.9207 10.9207 12.0275 12.0275 12.0291 12.0291 k = 0.4368 0.3982 0.3260 ( 5550 PWs) bands (ev): -67.5586 -67.5586 -67.5586 -67.5586 -37.3465 -37.3465 -37.3465 -37.3465 -36.1897 -36.1897 -36.1897 -36.1897 -36.0819 -36.0819 -36.0819 -36.0819 0.3057 0.3057 0.3095 0.3095 5.6414 5.6414 5.6421 5.6421 7.9037 7.9037 7.9501 7.9501 8.5099 8.5099 8.5375 8.5375 10.1250 10.1250 10.1321 10.1321 10.7973 10.7973 10.8333 10.8333 10.9039 10.9039 10.9283 10.9283 11.9730 11.9730 11.9764 11.9764 k = 0.4310 0.4081 0.3260 ( 5550 PWs) bands (ev): -67.5585 -67.5585 -67.5585 -67.5585 -37.3466 -37.3466 -37.3465 -37.3465 -36.1897 -36.1897 -36.1897 -36.1897 -36.0819 -36.0819 -36.0819 -36.0819 0.3138 0.3138 0.3179 0.3179 5.6685 5.6685 5.6696 5.6696 7.8327 7.8327 7.8799 7.8799 8.5077 8.5077 8.5348 8.5348 10.1393 10.1393 10.1463 10.1463 10.7838 10.7838 10.8147 10.8147 10.9174 10.9174 10.9360 10.9360 11.9209 11.9209 11.9260 11.9260 k = 0.4253 0.4181 0.3260 ( 5554 PWs) bands (ev): -67.5589 -67.5589 -67.5589 -67.5589 -37.3466 -37.3466 -37.3465 -37.3465 -36.1897 -36.1897 -36.1897 -36.1897 -36.0820 -36.0820 -36.0819 -36.0819 0.3223 0.3223 0.3267 0.3267 5.6977 5.6977 5.6992 5.6992 7.7586 7.7586 7.8066 7.8066 8.5048 8.5048 8.5313 8.5313 10.1533 10.1533 10.1601 10.1601 10.7676 10.7676 10.7946 10.7946 10.9299 10.9299 10.9438 10.9438 11.8707 11.8707 11.8777 11.8777 k = 0.4195 0.4280 0.3260 ( 5558 PWs) bands (ev): -67.5592 -67.5592 -67.5592 -67.5592 -37.3466 -37.3466 -37.3466 -37.3466 -36.1897 -36.1897 -36.1897 -36.1897 -36.0820 -36.0820 -36.0820 -36.0820 0.3312 0.3312 0.3358 0.3358 5.7289 5.7289 5.7310 5.7310 7.6820 7.6820 7.7309 7.7309 8.5013 8.5013 8.5274 8.5274 10.1670 10.1670 10.1734 10.1734 10.7498 10.7498 10.7739 10.7739 10.9438 10.9438 10.9544 10.9544 11.8237 11.8237 11.8325 11.8325 k = 0.4138 0.4380 0.3260 ( 5554 PWs) bands (ev): -67.5588 -67.5588 -67.5588 -67.5588 -37.3466 -37.3466 -37.3466 -37.3466 -36.1897 -36.1897 -36.1897 -36.1897 -36.0821 -36.0821 -36.0820 -36.0820 0.3403 0.3403 0.3452 0.3452 5.7621 5.7621 5.7649 5.7649 7.6035 7.6035 7.6535 7.6535 8.4990 8.4990 8.5248 8.5248 10.1819 10.1819 10.1879 10.1879 10.7347 10.7347 10.7562 10.7562 10.9643 10.9643 10.9715 10.9715 11.7776 11.7776 11.7881 11.7881 k = 0.4080 0.4479 0.3260 ( 5550 PWs) bands (ev): -67.5584 -67.5584 -67.5584 -67.5584 -37.3466 -37.3466 -37.3466 -37.3466 -36.1897 -36.1897 -36.1897 -36.1897 -36.0821 -36.0821 -36.0820 -36.0820 0.3496 0.3496 0.3547 0.3547 5.7972 5.7972 5.8009 5.8009 7.5234 7.5234 7.5746 7.5746 8.4962 8.4962 8.5217 8.5217 10.1981 10.1981 10.2036 10.2036 10.7160 10.7160 10.7354 10.7354 10.9869 10.9869 10.9913 10.9913 11.7344 11.7344 11.7468 11.7468 k = 0.4023 0.4579 0.3260 ( 5550 PWs) bands (ev): -67.5584 -67.5584 -67.5584 -67.5584 -37.3466 -37.3466 -37.3466 -37.3466 -36.1897 -36.1897 -36.1897 -36.1897 -36.0822 -36.0822 -36.0821 -36.0821 0.3589 0.3589 0.3644 0.3644 5.8341 5.8341 5.8389 5.8389 7.4427 7.4427 7.4952 7.4952 8.4928 8.4928 8.5180 8.5180 10.2145 10.2145 10.2194 10.2194 10.6959 10.6959 10.7140 10.7140 11.0030 11.0030 11.0054 11.0054 11.6971 11.6971 11.7112 11.7112 k = 0.3966 0.4679 0.3260 ( 5548 PWs) bands (ev): -67.5582 -67.5582 -67.5582 -67.5582 -37.3466 -37.3466 -37.3466 -37.3466 -36.1897 -36.1897 -36.1897 -36.1897 -36.0822 -36.0822 -36.0821 -36.0821 0.3682 0.3682 0.3739 0.3739 5.8723 5.8723 5.8785 5.8785 7.3617 7.3617 7.4159 7.4159 8.4892 8.4892 8.5141 8.5141 10.2293 10.2293 10.2337 10.2337 10.6766 10.6766 10.6936 10.6936 11.0246 11.0246 11.0251 11.0251 11.6610 11.6610 11.6769 11.6769 k = 0.3908 0.4778 0.3260 ( 5540 PWs) bands (ev): -67.5575 -67.5575 -67.5574 -67.5574 -37.3467 -37.3467 -37.3466 -37.3466 -36.1897 -36.1897 -36.1897 -36.1897 -36.0822 -36.0822 -36.0821 -36.0821 0.3774 0.3774 0.3833 0.3833 5.9120 5.9120 5.9199 5.9199 7.2811 7.2811 7.3371 7.3371 8.4873 8.4873 8.5120 8.5120 10.2467 10.2467 10.2507 10.2507 10.6560 10.6560 10.6721 10.6721 11.0470 11.0470 11.0484 11.0484 11.6285 11.6285 11.6462 11.6462 k = 0.3851 0.4878 0.3260 ( 5544 PWs) bands (ev): -67.5578 -67.5578 -67.5578 -67.5578 -37.3467 -37.3467 -37.3466 -37.3466 -36.1897 -36.1897 -36.1897 -36.1897 -36.0823 -36.0823 -36.0822 -36.0822 0.3863 0.3863 0.3924 0.3924 5.9526 5.9526 5.9626 5.9626 7.2007 7.2007 7.2591 7.2591 8.4838 8.4838 8.5084 8.5084 10.2609 10.2609 10.2644 10.2644 10.6326 10.6326 10.6480 10.6480 11.0680 11.0680 11.0713 11.0713 11.5922 11.5922 11.6119 11.6119 k = 0.3793 0.4977 0.3260 ( 5544 PWs) bands (ev): -67.5578 -67.5578 -67.5578 -67.5578 -37.3467 -37.3467 -37.3466 -37.3466 -36.1897 -36.1897 -36.1897 -36.1897 -36.0823 -36.0823 -36.0822 -36.0822 0.3948 0.3948 0.4011 0.4011 5.9940 5.9940 6.0067 6.0067 7.1219 7.1219 7.1830 7.1830 8.4804 8.4804 8.5049 8.5049 10.2756 10.2756 10.2787 10.2787 10.6109 10.6109 10.6258 10.6258 11.0906 11.0906 11.0958 11.0958 11.5606 11.5606 11.5825 11.5825 k = 0.3736 0.5077 0.3260 ( 5544 PWs) bands (ev): -67.5578 -67.5578 -67.5578 -67.5578 -37.3467 -37.3467 -37.3467 -37.3467 -36.1897 -36.1897 -36.1897 -36.1897 -36.0823 -36.0823 -36.0822 -36.0822 0.4029 0.4029 0.4093 0.4093 6.0356 6.0356 6.0516 6.0516 7.0455 7.0455 7.1101 7.1101 8.4770 8.4770 8.5012 8.5012 10.2895 10.2895 10.2925 10.2925 10.5890 10.5890 10.6036 10.6036 11.1118 11.1118 11.1192 11.1192 11.5343 11.5343 11.5585 11.5585 k = 0.3678 0.5176 0.3260 ( 5538 PWs) bands (ev): -67.5572 -67.5572 -67.5572 -67.5572 -37.3467 -37.3467 -37.3467 -37.3467 -36.1897 -36.1897 -36.1897 -36.1897 -36.0823 -36.0823 -36.0822 -36.0822 0.4102 0.4102 0.4169 0.4169 6.0768 6.0768 6.0970 6.0970 6.9714 6.9714 7.0403 7.0403 8.4767 8.4767 8.5009 8.5009 10.3082 10.3082 10.3112 10.3112 10.5696 10.5696 10.5840 10.5840 11.1354 11.1354 11.1457 11.1457 11.5014 11.5014 11.5285 11.5285 k = 0.3621 0.5276 0.3260 ( 5546 PWs) bands (ev): -67.5579 -67.5579 -67.5579 -67.5579 -37.3467 -37.3467 -37.3467 -37.3467 -36.1897 -36.1897 -36.1897 -36.1897 -36.0824 -36.0824 -36.0823 -36.0823 0.4168 0.4168 0.4236 0.4236 6.1165 6.1165 6.1419 6.1419 6.9014 6.9014 6.9756 6.9756 8.4733 8.4733 8.4974 8.4974 10.3203 10.3203 10.3235 10.3235 10.5484 10.5484 10.5630 10.5630 11.1545 11.1545 11.1680 11.1680 11.4705 11.4705 11.5010 11.5010 k = 0.3563 0.5375 0.3260 ( 5538 PWs) bands (ev): -67.5572 -67.5572 -67.5572 -67.5572 -37.3467 -37.3467 -37.3467 -37.3467 -36.1897 -36.1897 -36.1897 -36.1897 -36.0824 -36.0824 -36.0823 -36.0823 0.4226 0.4226 0.4294 0.4294 6.1538 6.1538 6.1855 6.1855 6.8371 6.8371 6.9177 6.9177 8.4737 8.4737 8.4978 8.4978 10.3384 10.3384 10.3421 10.3421 10.5291 10.5291 10.5443 10.5443 11.1759 11.1759 11.1935 11.1935 11.4441 11.4441 11.4788 11.4788 k = 0.3506 0.5475 0.3260 ( 5544 PWs) bands (ev): -67.5577 -67.5577 -67.5577 -67.5577 -37.3467 -37.3467 -37.3467 -37.3467 -36.1897 -36.1897 -36.1897 -36.1897 -36.0824 -36.0824 -36.0823 -36.0823 0.4273 0.4273 0.4342 0.4342 6.1865 6.1865 6.2256 6.2256 6.7802 6.7802 6.8683 6.8683 8.4710 8.4710 8.4950 8.4950 10.3507 10.3507 10.3554 10.3554 10.5083 10.5083 10.5245 10.5245 11.1931 11.1931 11.2158 11.2158 11.4185 11.4185 11.4585 11.4585 k = 0.3448 0.5574 0.3260 ( 5558 PWs) bands (ev): -67.5589 -67.5589 -67.5589 -67.5589 -37.3468 -37.3468 -37.3467 -37.3467 -36.1898 -36.1898 -36.1897 -36.1897 -36.0825 -36.0825 -36.0824 -36.0824 0.4307 0.4307 0.4377 0.4377 6.2122 6.2122 6.2592 6.2592 6.7339 6.7339 6.8299 6.8299 8.4678 8.4678 8.4919 8.4919 10.3587 10.3587 10.3643 10.3643 10.4897 10.4897 10.5069 10.5069 11.2043 11.2043 11.2331 11.2331 11.3918 11.3918 11.4380 11.4380 k = 0.3391 0.5674 0.3260 ( 5556 PWs) bands (ev): -67.5588 -67.5588 -67.5588 -67.5588 -37.3468 -37.3468 -37.3467 -37.3467 -36.1898 -36.1898 -36.1897 -36.1897 -36.0825 -36.0825 -36.0824 -36.0824 0.4329 0.4329 0.4400 0.4400 6.2291 6.2291 6.2825 6.2825 6.7033 6.7033 6.8058 6.8058 8.4670 8.4670 8.4911 8.4911 10.3674 10.3674 10.3743 10.3743 10.4778 10.4778 10.4965 10.4965 11.2160 11.2160 11.2508 11.2508 11.3765 11.3765 11.4289 11.4289 k = 0.3333 0.5774 0.3260 ( 5556 PWs) bands (ev): -67.5588 -67.5588 -67.5588 -67.5588 -37.3468 -37.3468 -37.3467 -37.3467 -36.1898 -36.1898 -36.1897 -36.1897 -36.0825 -36.0825 -36.0824 -36.0824 0.4337 0.4337 0.4407 0.4407 6.2349 6.2349 6.2908 6.2908 6.6925 6.6925 6.7975 6.7975 8.4667 8.4667 8.4908 8.4908 10.3706 10.3706 10.3783 10.3783 10.4731 10.4731 10.4925 10.4925 11.2200 11.2200 11.2578 11.2578 11.3694 11.3694 11.4249 11.4249 k = 0.3333 0.5774 0.3260 ( 5556 PWs) bands (ev): -67.5588 -67.5588 -67.5588 -67.5588 -37.3468 -37.3468 -37.3467 -37.3467 -36.1898 -36.1898 -36.1897 -36.1897 -36.0825 -36.0825 -36.0824 -36.0824 0.4337 0.4337 0.4407 0.4407 6.2349 6.2349 6.2908 6.2908 6.6925 6.6925 6.7975 6.7975 8.4667 8.4667 8.4908 8.4908 10.3706 10.3706 10.3783 10.3783 10.4731 10.4731 10.4925 10.4925 11.2200 11.2200 11.2578 11.2578 11.3694 11.3694 11.4249 11.4249 k = 0.3275 0.5672 0.3260 ( 5556 PWs) bands (ev): -67.5588 -67.5588 -67.5588 -67.5588 -37.3468 -37.3468 -37.3467 -37.3467 -36.1898 -36.1898 -36.1897 -36.1897 -36.0825 -36.0825 -36.0824 -36.0824 0.4329 0.4329 0.4399 0.4399 6.2292 6.2292 6.2827 6.2827 6.7033 6.7033 6.8058 6.8058 8.4670 8.4670 8.4911 8.4911 10.3672 10.3672 10.3741 10.3741 10.4781 10.4781 10.4967 10.4967 11.2158 11.2158 11.2505 11.2505 11.3767 11.3767 11.4290 11.4290 k = 0.3216 0.5571 0.3260 ( 5552 PWs) bands (ev): -67.5584 -67.5584 -67.5584 -67.5584 -37.3468 -37.3468 -37.3467 -37.3467 -36.1898 -36.1898 -36.1897 -36.1897 -36.0824 -36.0824 -36.0823 -36.0823 0.4303 0.4303 0.4373 0.4373 6.2141 6.2141 6.2614 6.2614 6.7328 6.7328 6.8292 6.8292 8.4679 8.4679 8.4920 8.4920 10.3579 10.3579 10.3630 10.3630 10.4931 10.4931 10.5100 10.5100 11.2075 11.2075 11.2362 11.2362 11.3949 11.3949 11.4411 11.4411 k = 0.3158 0.5470 0.3260 ( 5556 PWs) bands (ev): -67.5587 -67.5587 -67.5587 -67.5587 -37.3468 -37.3468 -37.3467 -37.3467 -36.1898 -36.1898 -36.1897 -36.1897 -36.0824 -36.0824 -36.0823 -36.0823 0.4259 0.4259 0.4328 0.4328 6.1921 6.1921 6.2323 6.2323 6.7754 6.7754 6.8645 6.8645 8.4684 8.4684 8.4924 8.4924 10.3426 10.3426 10.3464 10.3464 10.5114 10.5114 10.5268 10.5268 11.1902 11.1902 11.2127 11.2127 11.4170 11.4170 11.4568 11.4568 k = 0.3099 0.5368 0.3260 ( 5552 PWs) bands (ev): -67.5584 -67.5584 -67.5584 -67.5584 -37.3467 -37.3467 -37.3467 -37.3467 -36.1897 -36.1897 -36.1897 -36.1897 -36.0824 -36.0824 -36.0823 -36.0823 0.4195 0.4195 0.4263 0.4263 6.1669 6.1669 6.2004 6.2004 6.8266 6.8266 6.9090 6.9090 8.4706 8.4706 8.4946 8.4946 10.3282 10.3282 10.3309 10.3309 10.5357 10.5357 10.5502 10.5502 11.1709 11.1709 11.1881 11.1881 11.4422 11.4422 11.4768 11.4768 k = 0.3041 0.5267 0.3260 ( 5544 PWs) bands (ev): -67.5577 -67.5577 -67.5577 -67.5577 -37.3467 -37.3467 -37.3467 -37.3467 -36.1897 -36.1897 -36.1897 -36.1897 -36.0824 -36.0824 -36.0823 -36.0823 0.4110 0.4110 0.4177 0.4177 6.1407 6.1407 6.1686 6.1686 6.8835 6.8835 6.9601 6.9601 8.4748 8.4748 8.4987 8.4987 10.3151 10.3151 10.3175 10.3175 10.5604 10.5604 10.5743 10.5743 11.1493 11.1493 11.1626 11.1626 11.4704 11.4704 11.5007 11.5007 k = 0.2982 0.5166 0.3260 ( 5544 PWs) bands (ev): -67.5577 -67.5577 -67.5577 -67.5577 -37.3467 -37.3467 -37.3467 -37.3467 -36.1897 -36.1897 -36.1897 -36.1897 -36.0823 -36.0823 -36.0822 -36.0822 0.4004 0.4004 0.4070 0.4070 6.1153 6.1153 6.1387 6.1387 6.9439 6.9439 7.0157 7.0157 8.4790 8.4790 8.5028 8.5028 10.3001 10.3001 10.3023 10.3023 10.5844 10.5844 10.5979 10.5979 11.1221 11.1221 11.1324 11.1324 11.4974 11.4974 11.5245 11.5245 k = 0.2924 0.5064 0.3260 ( 5534 PWs) bands (ev): -67.5569 -67.5569 -67.5569 -67.5569 -37.3467 -37.3467 -37.3466 -37.3466 -36.1897 -36.1897 -36.1897 -36.1897 -36.0822 -36.0822 -36.0822 -36.0822 0.3876 0.3876 0.3940 0.3940 6.0923 6.0923 6.1120 6.1120 7.0072 7.0072 7.0751 7.0751 8.4843 8.4843 8.5079 8.5079 10.2860 10.2860 10.2885 10.2885 10.6154 10.6154 10.6289 10.6289 11.0971 11.0971 11.1052 11.1052 11.5275 11.5275 11.5520 11.5520 k = 0.2865 0.4963 0.3260 ( 5534 PWs) bands (ev): -67.5569 -67.5569 -67.5569 -67.5569 -37.3466 -37.3466 -37.3466 -37.3466 -36.1897 -36.1897 -36.1897 -36.1897 -36.0822 -36.0822 -36.0821 -36.0821 0.3726 0.3726 0.3788 0.3788 6.0723 6.0723 6.0890 6.0890 7.0720 7.0720 7.1366 7.1366 8.4892 8.4892 8.5125 8.5125 10.2698 10.2698 10.2724 10.2724 10.6445 10.6445 10.6581 10.6581 11.0684 11.0684 11.0746 11.0746 11.5547 11.5547 11.5771 11.5771 k = 0.2807 0.4862 0.3260 ( 5534 PWs) bands (ev): -67.5569 -67.5569 -67.5569 -67.5569 -37.3466 -37.3466 -37.3466 -37.3466 -36.1897 -36.1897 -36.1897 -36.1897 -36.0821 -36.0821 -36.0820 -36.0820 0.3553 0.3553 0.3614 0.3614 6.0562 6.0562 6.0706 6.0706 7.1382 7.1382 7.2000 7.2000 8.4929 8.4929 8.5159 8.5159 10.2499 10.2499 10.2528 10.2528 10.6757 10.6757 10.6894 10.6894 11.0427 11.0427 11.0475 11.0475 11.5859 11.5859 11.6065 11.6065 k = 0.2749 0.4761 0.3260 ( 5538 PWs) bands (ev): -67.5572 -67.5572 -67.5572 -67.5572 -37.3466 -37.3466 -37.3466 -37.3466 -36.1897 -36.1897 -36.1896 -36.1896 -36.0821 -36.0821 -36.0820 -36.0820 0.3358 0.3358 0.3416 0.3416 6.0440 6.0440 6.0565 6.0565 7.2047 7.2047 7.2642 7.2642 8.4981 8.4981 8.5208 8.5208 10.2340 10.2340 10.2371 10.2371 10.7050 10.7050 10.7195 10.7195 11.0119 11.0119 11.0151 11.0151 11.6132 11.6132 11.6324 11.6324 k = 0.2690 0.4659 0.3260 ( 5550 PWs) bands (ev): -67.5583 -67.5583 -67.5583 -67.5583 -37.3466 -37.3466 -37.3465 -37.3465 -36.1897 -36.1897 -36.1896 -36.1896 -36.0821 -36.0821 -36.0820 -36.0820 0.3140 0.3140 0.3196 0.3196 6.0359 6.0359 6.0469 6.0469 7.2714 7.2714 7.3287 7.3287 8.5034 8.5034 8.5257 8.5257 10.2166 10.2166 10.2202 10.2202 10.7336 10.7336 10.7493 10.7493 10.9790 10.9790 10.9806 10.9806 11.6362 11.6362 11.6543 11.6543 k = 0.2632 0.4558 0.3260 ( 5538 PWs) bands (ev): -67.5572 -67.5572 -67.5572 -67.5572 -37.3465 -37.3465 -37.3465 -37.3465 -36.1896 -36.1896 -36.1896 -36.1896 -36.0819 -36.0819 -36.0819 -36.0819 0.2901 0.2901 0.2955 0.2955 6.0331 6.0331 6.0429 6.0429 7.3392 7.3392 7.3947 7.3947 8.5120 8.5120 8.5337 8.5337 10.2039 10.2039 10.2082 10.2082 10.7724 10.7724 10.7893 10.7893 10.9511 10.9511 10.9511 10.9511 11.6676 11.6676 11.6844 11.6844 k = 0.2573 0.4457 0.3260 ( 5554 PWs) bands (ev): -67.5587 -67.5587 -67.5587 -67.5587 -37.3465 -37.3465 -37.3465 -37.3465 -36.1896 -36.1896 -36.1896 -36.1896 -36.0819 -36.0819 -36.0818 -36.0818 0.2641 0.2641 0.2692 0.2692 6.0341 6.0341 6.0429 6.0429 7.4058 7.4058 7.4595 7.4595 8.5180 8.5180 8.5392 8.5392 10.1864 10.1864 10.1912 10.1912 10.8030 10.8030 10.8238 10.8238 10.9143 10.9143 10.9180 10.9180 11.6864 11.6864 11.7023 11.7023 k = 0.2515 0.4355 0.3260 ( 5558 PWs) bands (ev): -67.5591 -67.5591 -67.5591 -67.5591 -37.3465 -37.3465 -37.3464 -37.3464 -36.1896 -36.1896 -36.1896 -36.1896 -36.0818 -36.0818 -36.0818 -36.0818 0.2360 0.2360 0.2409 0.2409 6.0401 6.0401 6.0481 6.0481 7.4718 7.4718 7.5238 7.5238 8.5265 8.5265 8.5470 8.5470 10.1743 10.1743 10.1798 10.1798 10.8268 10.8268 10.8546 10.8546 10.8875 10.8875 10.8978 10.8978 11.7087 11.7087 11.7239 11.7239 k = 0.2456 0.4254 0.3260 ( 5558 PWs) bands (ev): -67.5591 -67.5591 -67.5591 -67.5591 -37.3464 -37.3464 -37.3464 -37.3464 -36.1896 -36.1896 -36.1896 -36.1896 -36.0817 -36.0817 -36.0817 -36.0817 0.2060 0.2060 0.2106 0.2106 6.0510 6.0510 6.0584 6.0584 7.5372 7.5372 7.5875 7.5875 8.5360 8.5360 8.5555 8.5555 10.1635 10.1635 10.1701 10.1701 10.8231 10.8231 10.8401 10.8401 10.9067 10.9067 10.9078 10.9078 11.7351 11.7351 11.7494 11.7494 k = 0.2398 0.4153 0.3260 ( 5558 PWs) bands (ev): -67.5592 -67.5592 -67.5592 -67.5592 -37.3464 -37.3464 -37.3464 -37.3464 -36.1896 -36.1896 -36.1896 -36.1896 -36.0816 -36.0816 -36.0815 -36.0815 0.1742 0.1742 0.1786 0.1786 6.0665 6.0665 6.0734 6.0734 7.6018 7.6018 7.6502 7.6502 8.5444 8.5444 8.5627 8.5627 10.1514 10.1514 10.1591 10.1591 10.7996 10.7996 10.8105 10.8105 10.9429 10.9429 10.9509 10.9509 11.7607 11.7607 11.7743 11.7743 k = 0.2339 0.4052 0.3260 ( 5554 PWs) bands (ev): -67.5588 -67.5588 -67.5588 -67.5588 -37.3463 -37.3463 -37.3463 -37.3463 -36.1895 -36.1895 -36.1895 -36.1895 -36.0815 -36.0815 -36.0814 -36.0814 0.1408 0.1408 0.1449 0.1449 6.0864 6.0864 6.0929 6.0929 7.6653 7.6653 7.7119 7.7119 8.5542 8.5542 8.5712 8.5712 10.1418 10.1418 10.1504 10.1504 10.7743 10.7743 10.7832 10.7832 10.9852 10.9852 10.9963 10.9963 11.7839 11.7839 11.7968 11.7968 k = 0.2281 0.3950 0.3260 ( 5548 PWs) bands (ev): -67.5583 -67.5583 -67.5583 -67.5583 -37.3463 -37.3463 -37.3463 -37.3463 -36.1895 -36.1895 -36.1895 -36.1895 -36.0813 -36.0813 -36.0813 -36.0813 0.1059 0.1059 0.1097 0.1097 6.1109 6.1109 6.1170 6.1170 7.7283 7.7283 7.7730 7.7730 8.5644 8.5644 8.5801 8.5801 10.1329 10.1329 10.1429 10.1429 10.7445 10.7445 10.7526 10.7526 11.0335 11.0335 11.0467 11.0467 11.8077 11.8077 11.8201 11.8201 k = 0.2222 0.3849 0.3260 ( 5548 PWs) bands (ev): -67.5584 -67.5584 -67.5584 -67.5584 -37.3462 -37.3462 -37.3462 -37.3462 -36.1895 -36.1895 -36.1894 -36.1894 -36.0812 -36.0812 -36.0812 -36.0812 0.0695 0.0695 0.0731 0.0731 6.1393 6.1393 6.1452 6.1452 7.7888 7.7888 7.8315 7.8315 8.5742 8.5742 8.5884 8.5884 10.1246 10.1246 10.1358 10.1358 10.7140 10.7140 10.7219 10.7219 11.0818 11.0818 11.0967 11.0967 11.8288 11.8288 11.8407 11.8407 k = 0.2164 0.3748 0.3260 ( 5540 PWs) bands (ev): -67.5577 -67.5577 -67.5577 -67.5577 -37.3462 -37.3462 -37.3461 -37.3461 -36.1894 -36.1894 -36.1894 -36.1894 -36.0811 -36.0811 -36.0810 -36.0810 0.0320 0.0320 0.0353 0.0353 6.1720 6.1720 6.1776 6.1776 7.8487 7.8487 7.8892 7.8892 8.5842 8.5842 8.5966 8.5966 10.1176 10.1176 10.1303 10.1303 10.6870 10.6870 10.6950 10.6950 11.1358 11.1358 11.1525 11.1525 11.8500 11.8500 11.8616 11.8616 k = 0.2105 0.3646 0.3260 ( 5528 PWs) bands (ev): -67.5566 -67.5566 -67.5566 -67.5566 -37.3461 -37.3461 -37.3461 -37.3461 -36.1894 -36.1894 -36.1893 -36.1893 -36.0809 -36.0809 -36.0808 -36.0808 -0.0067 -0.0067 -0.0036 -0.0036 6.2086 6.2086 6.2140 6.2140 7.9067 7.9067 7.9448 7.9448 8.5950 8.5950 8.6054 8.6054 10.1150 10.1150 10.1293 10.1293 10.6589 10.6589 10.6673 10.6673 11.1925 11.1925 11.2110 11.2110 11.8716 11.8716 11.8829 11.8829 k = 0.2047 0.3545 0.3260 ( 5532 PWs) bands (ev): -67.5570 -67.5570 -67.5570 -67.5570 -37.3460 -37.3460 -37.3460 -37.3460 -36.1893 -36.1893 -36.1893 -36.1893 -36.0808 -36.0808 -36.0807 -36.0807 -0.0463 -0.0463 -0.0434 -0.0434 6.2485 6.2485 6.2537 6.2537 7.9616 7.9616 7.9971 7.9971 8.6043 8.6043 8.6125 8.6125 10.1088 10.1088 10.1249 10.1249 10.6274 10.6274 10.6366 10.6366 11.2458 11.2458 11.2664 11.2664 11.8875 11.8875 11.8989 11.8989 k = 0.1988 0.3444 0.3260 ( 5532 PWs) bands (ev): -67.5570 -67.5570 -67.5570 -67.5570 -37.3460 -37.3460 -37.3459 -37.3459 -36.1893 -36.1893 -36.1893 -36.1893 -36.0806 -36.0806 -36.0806 -36.0806 -0.0866 -0.0866 -0.0840 -0.0840 6.2921 6.2921 6.2972 6.2972 8.0145 8.0145 8.0471 8.0471 8.6131 8.6131 8.6188 8.6188 10.1030 10.1030 10.1208 10.1208 10.5991 10.5991 10.6089 10.6089 11.3022 11.3022 11.3250 11.3250 11.9054 11.9054 11.9170 11.9170 k = 0.1930 0.3343 0.3260 ( 5532 PWs) bands (ev): -67.5570 -67.5570 -67.5570 -67.5570 -37.3459 -37.3459 -37.3459 -37.3459 -36.1892 -36.1892 -36.1892 -36.1892 -36.0805 -36.0805 -36.0804 -36.0804 -0.1274 -0.1274 -0.1250 -0.1250 6.3387 6.3387 6.3436 6.3436 8.0650 8.0650 8.0945 8.0945 8.6218 8.6218 8.6249 8.6249 10.0993 10.0993 10.1186 10.1186 10.5726 10.5726 10.5832 10.5832 11.3598 11.3598 11.3854 11.3854 11.9189 11.9189 11.9312 11.9312 k = 0.1871 0.3241 0.3260 ( 5544 PWs) bands (ev): -67.5581 -67.5581 -67.5581 -67.5581 -37.3458 -37.3458 -37.3458 -37.3458 -36.1892 -36.1892 -36.1892 -36.1892 -36.0803 -36.0803 -36.0803 -36.0803 -0.1688 -0.1688 -0.1666 -0.1666 6.3883 6.3883 6.3930 6.3930 8.1126 8.1126 8.1386 8.1386 8.6287 8.6287 8.6290 8.6290 10.0935 10.0935 10.1148 10.1148 10.5402 10.5402 10.5519 10.5519 11.4148 11.4148 11.4435 11.4435 11.9307 11.9307 11.9442 11.9442 k = 0.1813 0.3140 0.3260 ( 5544 PWs) bands (ev): -67.5582 -67.5582 -67.5582 -67.5582 -37.3458 -37.3458 -37.3458 -37.3458 -36.1892 -36.1892 -36.1892 -36.1892 -36.0802 -36.0802 -36.0801 -36.0801 -0.2103 -0.2103 -0.2084 -0.2084 6.4403 6.4403 6.4449 6.4449 8.1583 8.1583 8.1808 8.1808 8.6337 8.6337 8.6363 8.6363 10.0925 10.0925 10.1156 10.1156 10.5154 10.5154 10.5282 10.5282 11.4748 11.4748 11.5072 11.5072 11.9385 11.9385 11.9537 11.9537 k = 0.1754 0.3039 0.3260 ( 5528 PWs) bands (ev): -67.5568 -67.5568 -67.5568 -67.5568 -37.3457 -37.3457 -37.3457 -37.3457 -36.1891 -36.1891 -36.1891 -36.1891 -36.0800 -36.0800 -36.0799 -36.0799 -0.2519 -0.2519 -0.2501 -0.2501 6.4949 6.4949 6.4993 6.4993 8.2034 8.2034 8.2225 8.2225 8.6394 8.6394 8.6447 8.6447 10.0977 10.0977 10.1225 10.1225 10.4974 10.4974 10.5113 10.5113 11.5375 11.5375 11.5740 11.5740 11.9453 11.9453 11.9628 11.9628 k = 0.1696 0.2937 0.3260 ( 5536 PWs) bands (ev): -67.5575 -67.5575 -67.5575 -67.5575 -37.3456 -37.3456 -37.3456 -37.3456 -36.1891 -36.1891 -36.1891 -36.1891 -36.0798 -36.0798 -36.0798 -36.0798 -0.2936 -0.2936 -0.2920 -0.2920 6.5512 6.5512 6.5555 6.5555 8.2443 8.2443 8.2594 8.2594 8.6418 8.6418 8.6504 8.6504 10.0932 10.0932 10.1197 10.1197 10.4738 10.4738 10.4889 10.4889 11.5965 11.5965 11.6382 11.6382 11.9479 11.9479 11.9690 11.9690 k = 0.1637 0.2836 0.3260 ( 5528 PWs) bands (ev): -67.5569 -67.5569 -67.5569 -67.5569 -37.3455 -37.3455 -37.3455 -37.3455 -36.1890 -36.1890 -36.1890 -36.1890 -36.0797 -36.0797 -36.0796 -36.0796 -0.3349 -0.3349 -0.3335 -0.3335 6.6098 6.6098 6.6139 6.6139 8.2842 8.2842 8.2951 8.2951 8.6447 8.6447 8.6566 8.6566 10.0962 10.0962 10.1242 10.1242 10.4548 10.4548 10.4709 10.4709 11.6527 11.6527 11.7003 11.7003 11.9560 11.9560 11.9814 11.9814 k = 0.1579 0.2735 0.3260 ( 5528 PWs) bands (ev): -67.5569 -67.5569 -67.5569 -67.5569 -37.3455 -37.3455 -37.3454 -37.3454 -36.1890 -36.1890 -36.1890 -36.1890 -36.0795 -36.0795 -36.0795 -36.0795 -0.3760 -0.3760 -0.3747 -0.3747 6.6694 6.6694 6.6733 6.6733 8.3197 8.3197 8.3264 8.3264 8.6458 8.6458 8.6611 8.6611 10.0998 10.0998 10.1289 10.1289 10.4388 10.4388 10.4556 10.4556 11.6978 11.6978 11.7499 11.7499 11.9683 11.9683 11.9968 11.9968 k = 0.1520 0.2634 0.3260 ( 5520 PWs) bands (ev): -67.5563 -67.5563 -67.5563 -67.5563 -37.3454 -37.3454 -37.3454 -37.3454 -36.1889 -36.1889 -36.1889 -36.1889 -36.0793 -36.0793 -36.0793 -36.0793 -0.4165 -0.4165 -0.4154 -0.4154 6.7311 6.7311 6.7348 6.7348 8.3538 8.3538 8.3563 8.3563 8.6479 8.6479 8.6664 8.6664 10.1052 10.1052 10.1356 10.1356 10.4225 10.4225 10.4403 10.4403 11.7315 11.7315 11.7836 11.7836 11.9999 11.9999 12.0270 12.0270 k = 0.1462 0.2532 0.3260 ( 5518 PWs) bands (ev): -67.5561 -67.5561 -67.5561 -67.5561 -37.3453 -37.3453 -37.3453 -37.3453 -36.1889 -36.1889 -36.1889 -36.1889 -36.0791 -36.0791 -36.0791 -36.0791 -0.4565 -0.4565 -0.4555 -0.4555 6.7933 6.7933 6.7969 6.7969 8.3829 8.3829 8.3850 8.3850 8.6476 8.6476 8.6696 8.6696 10.1117 10.1117 10.1432 10.1432 10.4069 10.4069 10.4257 10.4257 11.7474 11.7474 11.7938 11.7938 12.0491 12.0491 12.0695 12.0695 k = 0.1404 0.2431 0.3260 ( 5516 PWs) bands (ev): -67.5560 -67.5560 -67.5560 -67.5560 -37.3452 -37.3452 -37.3452 -37.3452 -36.1888 -36.1888 -36.1888 -36.1888 -36.0789 -36.0789 -36.0789 -36.0789 -0.4958 -0.4958 -0.4949 -0.4949 6.8563 6.8563 6.8596 6.8596 8.4078 8.4078 8.4144 8.4144 8.6465 8.6465 8.6719 8.6719 10.1178 10.1178 10.1501 10.1501 10.3935 10.3935 10.4131 10.4131 11.7474 11.7474 11.7862 11.7862 12.1135 12.1135 12.1256 12.1256 k = 0.1345 0.2330 0.3260 ( 5524 PWs) bands (ev): -67.5567 -67.5567 -67.5567 -67.5567 -37.3452 -37.3452 -37.3452 -37.3452 -36.1888 -36.1888 -36.1888 -36.1888 -36.0788 -36.0788 -36.0788 -36.0788 -0.5342 -0.5342 -0.5334 -0.5334 6.9191 6.9191 6.9222 6.9222 8.4287 8.4287 8.4397 8.4397 8.6442 8.6442 8.6727 8.6727 10.1231 10.1231 10.1562 10.1562 10.3796 10.3796 10.4000 10.4000 11.7331 11.7331 11.7652 11.7652 12.1840 12.1840 12.1887 12.1887 k = 0.1287 0.2228 0.3260 ( 5520 PWs) bands (ev): -67.5564 -67.5564 -67.5564 -67.5564 -37.3451 -37.3451 -37.3451 -37.3451 -36.1887 -36.1887 -36.1887 -36.1887 -36.0786 -36.0786 -36.0786 -36.0786 -0.5717 -0.5717 -0.5710 -0.5710 6.9826 6.9826 6.9855 6.9855 8.4492 8.4492 8.4647 8.4647 8.6418 8.6418 8.6736 8.6736 10.1320 10.1320 10.1652 10.1652 10.3705 10.3705 10.3911 10.3911 11.7118 11.7118 11.7387 11.7387 12.2629 12.2629 12.2638 12.2638 k = 0.1228 0.2127 0.3260 ( 5524 PWs) bands (ev): -67.5568 -67.5568 -67.5568 -67.5568 -37.3450 -37.3450 -37.3450 -37.3450 -36.1887 -36.1887 -36.1887 -36.1887 -36.0785 -36.0785 -36.0785 -36.0785 -0.6082 -0.6082 -0.6076 -0.6076 7.0457 7.0457 7.0484 7.0484 8.4675 8.4675 8.4877 8.4877 8.6389 8.6389 8.6740 8.6740 10.1377 10.1377 10.1712 10.1712 10.3583 10.3583 10.3798 10.3798 11.6835 11.6835 11.7061 11.7061 12.3407 12.3407 12.3460 12.3460 k = 0.1170 0.2026 0.3260 ( 5522 PWs) bands (ev): -67.5567 -67.5567 -67.5567 -67.5567 -37.3449 -37.3449 -37.3449 -37.3449 -36.1887 -36.1887 -36.1887 -36.1887 -36.0783 -36.0783 -36.0783 -36.0783 -0.6436 -0.6436 -0.6430 -0.6430 7.1089 7.1089 7.1113 7.1113 8.4852 8.4852 8.5095 8.5095 8.6362 8.6362 8.6742 8.6742 10.1457 10.1457 10.1796 10.1796 10.3482 10.3482 10.3707 10.3707 11.6525 11.6525 11.6718 11.6718 12.4226 12.4226 12.4311 12.4311 k = 0.1111 0.1925 0.3260 ( 5518 PWs) bands (ev): -67.5563 -67.5563 -67.5563 -67.5563 -37.3449 -37.3449 -37.3449 -37.3449 -36.1886 -36.1886 -36.1886 -36.1886 -36.0781 -36.0781 -36.0781 -36.0781 -0.6777 -0.6777 -0.6772 -0.6772 7.1711 7.1711 7.1732 7.1732 8.5005 8.5005 8.5293 8.5293 8.6334 8.6334 8.6746 8.6746 10.1561 10.1561 10.1900 10.1900 10.3400 10.3400 10.3630 10.3630 11.6180 11.6180 11.6345 11.6345 12.5083 12.5083 12.5191 12.5191 k = 0.1053 0.1823 0.3260 ( 5518 PWs) bands (ev): -67.5564 -67.5564 -67.5564 -67.5564 -37.3448 -37.3448 -37.3448 -37.3448 -36.1886 -36.1886 -36.1886 -36.1886 -36.0780 -36.0780 -36.0780 -36.0780 -0.7106 -0.7106 -0.7102 -0.7102 7.2318 7.2318 7.2337 7.2337 8.5148 8.5148 8.5483 8.5483 8.6301 8.6301 8.6746 8.6746 10.1632 10.1632 10.1970 10.1970 10.3333 10.3333 10.3570 10.3570 11.5794 11.5794 11.5936 11.5936 12.5949 12.5949 12.6073 12.6073 k = 0.0994 0.1722 0.3260 ( 5518 PWs) bands (ev): -67.5564 -67.5564 -67.5564 -67.5564 -37.3447 -37.3447 -37.3447 -37.3447 -36.1886 -36.1886 -36.1886 -36.1886 -36.0778 -36.0778 -36.0778 -36.0778 -0.7420 -0.7420 -0.7417 -0.7417 7.2911 7.2911 7.2927 7.2927 8.5264 8.5264 8.5637 8.5637 8.6280 8.6280 8.6750 8.6750 10.1726 10.1726 10.2054 10.2054 10.3275 10.3275 10.3511 10.3511 11.5395 11.5395 11.5516 11.5516 12.6842 12.6842 12.6981 12.6981 k = 0.0936 0.1621 0.3260 ( 5514 PWs) bands (ev): -67.5561 -67.5561 -67.5561 -67.5561 -37.3447 -37.3447 -37.3447 -37.3447 -36.1885 -36.1885 -36.1885 -36.1885 -36.0777 -36.0777 -36.0776 -36.0776 -0.7720 -0.7720 -0.7717 -0.7717 7.3488 7.3488 7.3502 7.3502 8.5370 8.5370 8.5773 8.5773 8.6267 8.6267 8.6756 8.6756 10.1846 10.1846 10.2167 10.2167 10.3229 10.3229 10.3464 10.3464 11.5001 11.5001 11.5105 11.5105 12.7746 12.7746 12.7895 12.7895 k = 0.0877 0.1519 0.3260 ( 5514 PWs) bands (ev): -67.5561 -67.5561 -67.5561 -67.5561 -37.3446 -37.3446 -37.3446 -37.3446 -36.1885 -36.1885 -36.1885 -36.1885 -36.0775 -36.0775 -36.0775 -36.0775 -0.8005 -0.8005 -0.8003 -0.8003 7.4044 7.4044 7.4056 7.4056 8.5461 8.5461 8.5879 8.5879 8.6267 8.6267 8.6759 8.6759 10.1956 10.1956 10.2262 10.2262 10.3171 10.3171 10.3400 10.3400 11.4605 11.4605 11.4694 11.4694 12.8655 12.8655 12.8811 12.8811 k = 0.0819 0.1418 0.3260 ( 5508 PWs) bands (ev): -67.5556 -67.5556 -67.5556 -67.5556 -37.3446 -37.3446 -37.3445 -37.3445 -36.1884 -36.1884 -36.1884 -36.1884 -36.0774 -36.0774 -36.0773 -36.0773 -0.8274 -0.8274 -0.8272 -0.8272 7.4569 7.4569 7.4579 7.4579 8.5554 8.5554 8.5972 8.5972 8.6293 8.6293 8.6774 8.6774 10.2073 10.2073 10.2365 10.2365 10.3172 10.3172 10.3394 10.3394 11.4203 11.4203 11.4278 11.4278 12.9569 12.9569 12.9729 12.9729 k = 0.0760 0.1317 0.3260 ( 5502 PWs) bands (ev): -67.5551 -67.5551 -67.5551 -67.5551 -37.3445 -37.3445 -37.3445 -37.3445 -36.1884 -36.1884 -36.1884 -36.1884 -36.0772 -36.0772 -36.0772 -36.0772 -0.8527 -0.8527 -0.8525 -0.8525 7.5072 7.5072 7.5080 7.5080 8.5644 8.5644 8.6039 8.6039 8.6349 8.6349 8.6795 8.6795 10.2186 10.2186 10.2461 10.2461 10.3147 10.3147 10.3362 10.3362 11.3813 11.3813 11.3875 11.3875 13.0495 13.0495 13.0655 13.0655 k = 0.0702 0.1215 0.3260 ( 5506 PWs) bands (ev): -67.5555 -67.5555 -67.5555 -67.5555 -37.3444 -37.3444 -37.3444 -37.3444 -36.1884 -36.1884 -36.1884 -36.1884 -36.0771 -36.0771 -36.0771 -36.0771 -0.8763 -0.8763 -0.8762 -0.8762 7.5540 7.5540 7.5546 7.5546 8.5718 8.5718 8.6057 8.6057 8.6405 8.6405 8.6786 8.6786 10.2288 10.2288 10.2545 10.2545 10.3124 10.3124 10.3328 10.3328 11.3413 11.3413 11.3466 11.3466 13.1373 13.1373 13.1536 13.1536 k = 0.0643 0.1114 0.3260 ( 5498 PWs) bands (ev): -67.5548 -67.5548 -67.5548 -67.5548 -37.3444 -37.3444 -37.3444 -37.3444 -36.1883 -36.1883 -36.1883 -36.1883 -36.0769 -36.0769 -36.0769 -36.0769 -0.8982 -0.8982 -0.8981 -0.8981 7.5975 7.5975 7.5979 7.5979 8.5803 8.5803 8.6100 8.6100 8.6492 8.6492 8.6825 8.6825 10.2397 10.2397 10.2635 10.2635 10.3121 10.3121 10.3315 10.3315 11.3041 11.3041 11.3083 11.3083 13.2278 13.2278 13.2428 13.2428 k = 0.0585 0.1013 0.3260 ( 5506 PWs) bands (ev): -67.5555 -67.5555 -67.5555 -67.5555 -37.3444 -37.3444 -37.3444 -37.3444 -36.1883 -36.1883 -36.1883 -36.1883 -36.0769 -36.0769 -36.0769 -36.0769 -0.9183 -0.9183 -0.9183 -0.9183 7.6367 7.6367 7.6370 7.6370 8.5876 8.5876 8.6115 8.6115 8.6563 8.6563 8.6828 8.6828 10.2466 10.2466 10.2683 10.2683 10.3088 10.3088 10.3270 10.3270 11.2649 11.2649 11.2682 11.2682 13.3129 13.3129 13.3272 13.3272 k = 0.0526 0.0912 0.3260 ( 5502 PWs) bands (ev): -67.5552 -67.5552 -67.5552 -67.5552 -37.3443 -37.3443 -37.3443 -37.3443 -36.1883 -36.1883 -36.1883 -36.1883 -36.0768 -36.0768 -36.0768 -36.0768 -0.9366 -0.9366 -0.9366 -0.9366 7.6727 7.6727 7.6729 7.6729 8.5962 8.5962 8.6144 8.6144 8.6647 8.6647 8.6848 8.6848 10.2559 10.2559 10.2755 10.2755 10.3094 10.3094 10.3262 10.3262 11.2305 11.2305 11.2330 11.2330 13.3968 13.3968 13.4104 13.4104 k = 0.0468 0.0810 0.3260 ( 5506 PWs) bands (ev): -67.5556 -67.5556 -67.5556 -67.5556 -37.3443 -37.3443 -37.3443 -37.3443 -36.1883 -36.1883 -36.1883 -36.1883 -36.0767 -36.0767 -36.0767 -36.0767 -0.9531 -0.9531 -0.9531 -0.9531 7.7039 7.7039 7.7040 7.7040 8.6036 8.6036 8.6177 8.6177 8.6712 8.6712 8.6867 8.6867 10.2632 10.2632 10.2806 10.2806 10.3075 10.3075 10.3229 10.3229 11.1966 11.1966 11.1984 11.1984 13.4759 13.4759 13.4880 13.4880 k = 0.0409 0.0709 0.3260 ( 5510 PWs) bands (ev): -67.5559 -67.5559 -67.5559 -67.5559 -37.3442 -37.3442 -37.3442 -37.3442 -36.1883 -36.1883 -36.1883 -36.1883 -36.0766 -36.0766 -36.0766 -36.0766 -0.9678 -0.9678 -0.9677 -0.9677 7.7317 7.7317 7.7318 7.7318 8.6100 8.6100 8.6208 8.6208 8.6769 8.6769 8.6888 8.6888 10.2686 10.2686 10.2837 10.2837 10.3061 10.3061 10.3197 10.3197 11.1671 11.1671 11.1684 11.1684 13.5482 13.5482 13.5580 13.5580 k = 0.0351 0.0608 0.3260 ( 5522 PWs) bands (ev): -67.5570 -67.5570 -67.5570 -67.5570 -37.3442 -37.3442 -37.3442 -37.3442 -36.1883 -36.1883 -36.1883 -36.1883 -36.0766 -36.0766 -36.0766 -36.0766 -0.9805 -0.9805 -0.9805 -0.9805 7.7555 7.7555 7.7555 7.7555 8.6154 8.6154 8.6218 8.6218 8.6814 8.6814 8.6884 8.6884 10.2721 10.2721 10.2850 10.2850 10.3030 10.3030 10.3149 10.3149 11.1390 11.1390 11.1398 11.1398 13.6108 13.6108 13.6190 13.6190 k = 0.0292 0.0506 0.3260 ( 5520 PWs) bands (ev): -67.5568 -67.5568 -67.5568 -67.5568 -37.3442 -37.3442 -37.3442 -37.3442 -36.1883 -36.1883 -36.1883 -36.1883 -36.0765 -36.0765 -36.0765 -36.0765 -0.9913 -0.9913 -0.9913 -0.9913 7.7758 7.7758 7.7758 7.7758 8.6215 8.6215 8.6256 8.6256 8.6865 8.6865 8.6910 8.6910 10.2786 10.2786 10.2891 10.2891 10.3028 10.3028 10.3128 10.3128 11.1170 11.1170 11.1175 11.1175 13.6678 13.6678 13.6735 13.6735 k = 0.0234 0.0405 0.3260 ( 5520 PWs) bands (ev): -67.5568 -67.5568 -67.5568 -67.5568 -37.3442 -37.3442 -37.3442 -37.3442 -36.1883 -36.1883 -36.1883 -36.1883 -36.0765 -36.0765 -36.0765 -36.0765 -1.0002 -1.0002 -1.0002 -1.0002 7.7924 7.7924 7.7924 7.7924 8.6267 8.6267 8.6290 8.6290 8.6908 8.6908 8.6934 8.6934 10.2824 10.2824 10.2904 10.2904 10.3022 10.3022 10.3099 10.3099 11.0992 11.0992 11.0995 11.0995 13.7141 13.7141 13.7171 13.7171 k = 0.0175 0.0304 0.3260 ( 5520 PWs) bands (ev): -67.5568 -67.5568 -67.5568 -67.5568 -37.3442 -37.3442 -37.3442 -37.3442 -36.1882 -36.1882 -36.1882 -36.1882 -36.0764 -36.0764 -36.0764 -36.0764 -1.0071 -1.0071 -1.0071 -1.0071 7.8050 7.8050 7.8050 7.8050 8.6312 8.6312 8.6316 8.6316 8.6945 8.6945 8.6950 8.6950 10.2876 10.2876 10.2938 10.2938 10.3010 10.3010 10.3071 10.3071 11.0840 11.0840 11.0841 11.0841 13.7476 13.7476 13.7507 13.7507 k = 0.0117 0.0203 0.3260 ( 5514 PWs) bands (ev): -67.5563 -67.5563 -67.5563 -67.5563 -37.3442 -37.3442 -37.3442 -37.3442 -36.1882 -36.1882 -36.1882 -36.1882 -36.0764 -36.0764 -36.0764 -36.0764 -1.0120 -1.0120 -1.0120 -1.0120 7.8142 7.8142 7.8142 7.8142 8.6344 8.6344 8.6356 8.6356 8.6974 8.6974 8.6986 8.6986 10.2931 10.2931 10.2973 10.2973 10.3012 10.3012 10.3054 10.3054 11.0743 11.0743 11.0744 11.0744 13.7716 13.7716 13.7737 13.7737 k = 0.0058 0.0101 0.3260 ( 5502 PWs) bands (ev): -67.5552 -67.5552 -67.5552 -67.5552 -37.3441 -37.3441 -37.3441 -37.3441 -36.1882 -36.1882 -36.1882 -36.1882 -36.0764 -36.0764 -36.0764 -36.0764 -1.0150 -1.0150 -1.0150 -1.0150 7.8201 7.8201 7.8201 7.8201 8.6380 8.6380 8.6381 8.6381 8.7009 8.7009 8.7009 8.7009 10.3009 10.3009 10.3012 10.3012 10.3049 10.3049 10.3053 10.3053 11.0696 11.0696 11.0696 11.0696 13.7872 13.7872 13.7872 13.7872 k = 0.0000 0.0000 0.3260 ( 5502 PWs) bands (ev): -67.5552 -67.5552 -67.5552 -67.5552 -37.3441 -37.3441 -37.3441 -37.3441 -36.1882 -36.1882 -36.1882 -36.1882 -36.0763 -36.0763 -36.0763 -36.0763 -1.0159 -1.0159 -1.0159 -1.0159 7.8218 7.8218 7.8218 7.8218 8.6385 8.6385 8.6385 8.6385 8.7013 8.7013 8.7013 8.7013 10.3018 10.3018 10.3018 10.3018 10.3047 10.3047 10.3047 10.3047 11.0674 11.0674 11.0674 11.0674 13.7912 13.7912 13.7912 13.7912 k = 0.5000 0.2887 0.3260 ( 5536 PWs) bands (ev): -67.5574 -67.5574 -67.5574 -67.5574 -37.3464 -37.3464 -37.3464 -37.3464 -36.1896 -36.1896 -36.1896 -36.1896 -36.0816 -36.0816 -36.0816 -36.0816 0.2599 0.2599 0.2599 0.2599 5.4956 5.4956 5.4956 5.4956 8.3800 8.3800 8.3800 8.3800 8.5084 8.5084 8.5084 8.5084 10.0325 10.0325 10.0325 10.0325 10.8354 10.8354 10.8354 10.8354 10.9453 10.9453 10.9453 10.9453 12.5148 12.5148 12.5148 12.5148 k = 0.5000 0.2887 0.3143 ( 5552 PWs) bands (ev): -67.5597 -67.5597 -67.5578 -67.5578 -37.3474 -37.3474 -37.3455 -37.3455 -36.1914 -36.1914 -36.1879 -36.1879 -36.0820 -36.0820 -36.0813 -36.0813 0.2524 0.2524 0.2670 0.2670 5.4588 5.4588 5.5350 5.5350 8.3523 8.3523 8.4015 8.4015 8.4930 8.4930 8.5235 8.5235 9.9778 9.9778 10.0771 10.0771 10.8185 10.8185 10.8419 10.8419 10.9245 10.9245 10.9558 10.9558 12.4181 12.4181 12.6096 12.6096 k = 0.5000 0.2887 0.3027 ( 5548 PWs) bands (ev): -67.5593 -67.5593 -67.5575 -67.5575 -37.3484 -37.3484 -37.3445 -37.3445 -36.1931 -36.1931 -36.1861 -36.1861 -36.0824 -36.0824 -36.0810 -36.0810 0.2446 0.2446 0.2739 0.2739 5.4256 5.4256 5.5777 5.5777 8.3239 8.3239 8.4134 8.4134 8.4911 8.4911 8.5405 8.5405 9.9271 9.9271 10.1250 10.1250 10.8085 10.8085 10.8492 10.8492 10.9179 10.9179 10.9682 10.9682 12.3305 12.3305 12.7063 12.7063 k = 0.5000 0.2887 0.2910 ( 5540 PWs) bands (ev): -67.5589 -67.5589 -67.5566 -67.5566 -37.3494 -37.3494 -37.3436 -37.3436 -36.1948 -36.1948 -36.1843 -36.1843 -36.0827 -36.0827 -36.0806 -36.0806 0.2366 0.2366 0.2805 0.2805 5.3953 5.3953 5.6234 5.6234 8.2975 8.2975 8.4064 8.4064 8.5060 8.5060 8.5576 8.5576 9.8778 9.8778 10.1729 10.1729 10.8030 10.8030 10.8578 10.8578 10.9071 10.9071 10.9820 10.9820 12.2428 12.2428 12.8082 12.8082 k = 0.5000 0.2887 0.2794 ( 5540 PWs) bands (ev): -67.5592 -67.5592 -67.5563 -67.5563 -37.3503 -37.3503 -37.3426 -37.3426 -36.1965 -36.1965 -36.1826 -36.1826 -36.0830 -36.0830 -36.0803 -36.0803 0.2284 0.2284 0.2866 0.2866 5.3679 5.3679 5.6721 5.6721 8.2696 8.2696 8.3880 8.3880 8.5271 8.5271 8.5750 8.5750 9.8264 9.8264 10.2167 10.2167 10.7957 10.7957 10.8639 10.8639 10.8961 10.8961 10.9945 10.9945 12.1549 12.1549 12.9078 12.9078 k = 0.5000 0.2887 0.2677 ( 5528 PWs) bands (ev): -67.5580 -67.5580 -67.5553 -67.5553 -37.3513 -37.3513 -37.3417 -37.3417 -36.1982 -36.1982 -36.1808 -36.1808 -36.0833 -36.0833 -36.0799 -36.0799 0.2201 0.2201 0.2925 0.2925 5.3438 5.3438 5.7239 5.7239 8.2437 8.2437 8.3672 8.3672 8.5466 8.5466 8.5972 8.5972 9.7772 9.7772 10.2619 10.2619 10.7908 10.7908 10.8703 10.8703 10.8917 10.8917 11.0092 11.0092 12.0718 12.0718 13.0072 13.0072 k = 0.5000 0.2887 0.2561 ( 5538 PWs) bands (ev): -67.5583 -67.5583 -67.5568 -67.5568 -37.3523 -37.3523 -37.3408 -37.3408 -36.1999 -36.1999 -36.1791 -36.1791 -36.0836 -36.0836 -36.0797 -36.0797 0.2117 0.2117 0.2977 0.2977 5.3220 5.3220 5.7784 5.7784 8.2140 8.2140 8.3415 8.3415 8.5573 8.5573 8.6244 8.6244 9.7213 9.7213 10.3002 10.3002 10.7835 10.7835 10.8684 10.8684 10.8836 10.8836 11.0220 11.0220 11.9896 11.9896 12.9531 12.9531 k = 0.5000 0.2887 0.2445 ( 5526 PWs) bands (ev): -67.5568 -67.5568 -67.5562 -67.5562 -37.3532 -37.3532 -37.3398 -37.3398 -36.2015 -36.2015 -36.1774 -36.1774 -36.0839 -36.0839 -36.0793 -36.0793 0.2032 0.2032 0.3027 0.3027 5.3034 5.3034 5.8361 5.8361 8.1893 8.1893 8.3167 8.3167 8.5642 8.5642 8.6566 8.6566 9.6702 9.6702 10.3481 10.3481 10.7784 10.7784 10.8666 10.8666 10.8823 10.8823 11.0365 11.0365 11.9099 11.9099 12.8789 12.8789 k = 0.5000 0.2887 0.2328 ( 5534 PWs) bands (ev): -67.5585 -67.5585 -67.5559 -67.5559 -37.3541 -37.3541 -37.3390 -37.3390 -36.2031 -36.2031 -36.1758 -36.1758 -36.0843 -36.0843 -36.0790 -36.0790 0.1947 0.1947 0.3072 0.3072 5.2871 5.2871 5.8965 5.8965 8.1643 8.1643 8.2895 8.2895 8.5629 8.5629 8.6881 8.6881 9.6161 9.6161 10.3832 10.3832 10.7662 10.7662 10.8565 10.8565 10.8848 10.8848 11.0492 11.0492 11.8253 11.8253 12.8033 12.8033 k = 0.5000 0.2887 0.2212 ( 5528 PWs) bands (ev): -67.5580 -67.5580 -67.5553 -67.5553 -37.3550 -37.3550 -37.3382 -37.3382 -36.2046 -36.2046 -36.1741 -36.1741 -36.0846 -36.0846 -36.0787 -36.0787 0.1863 0.1863 0.3114 0.3114 5.2735 5.2735 5.9596 5.9596 8.1405 8.1405 8.2643 8.2643 8.5578 8.5578 8.7233 8.7233 9.5664 9.5664 10.4208 10.4208 10.7599 10.7599 10.8488 10.8488 10.8888 10.8888 11.0646 11.0646 11.7494 11.7494 12.7334 12.7334 k = 0.5000 0.2887 0.2095 ( 5528 PWs) bands (ev): -67.5590 -67.5590 -67.5543 -67.5543 -37.3559 -37.3559 -37.3374 -37.3374 -36.2061 -36.2061 -36.1726 -36.1726 -36.0849 -36.0849 -36.0784 -36.0784 0.1779 0.1779 0.3151 0.3151 5.2623 5.2623 6.0256 6.0256 8.1181 8.1181 8.2381 8.2381 8.5466 8.5466 8.7588 8.7588 9.5125 9.5125 10.4507 10.4507 10.7531 10.7531 10.8367 10.8367 10.8978 10.8978 11.0798 11.0798 11.6745 11.6745 12.6661 12.6661 k = 0.5000 0.2887 0.1979 ( 5536 PWs) bands (ev): -67.5599 -67.5599 -67.5548 -67.5548 -37.3567 -37.3567 -37.3366 -37.3366 -36.2075 -36.2075 -36.1711 -36.1711 -36.0852 -36.0852 -36.0781 -36.0781 0.1696 0.1696 0.3184 0.3184 5.2532 5.2532 6.0939 6.0939 8.0948 8.0948 8.2127 8.2127 8.5304 8.5304 8.7930 8.7930 9.4608 9.4608 10.4782 10.4782 10.7457 10.7457 10.8257 10.8257 10.9000 10.9000 11.0892 11.0892 11.5974 11.5974 12.5996 12.5996 k = 0.5000 0.2887 0.1863 ( 5532 PWs) bands (ev): -67.5602 -67.5602 -67.5538 -67.5538 -37.3575 -37.3575 -37.3359 -37.3359 -36.2088 -36.2088 -36.1697 -36.1697 -36.0855 -36.0855 -36.0778 -36.0778 0.1616 0.1616 0.3214 0.3214 5.2466 5.2466 6.1648 6.1648 8.0746 8.0746 8.1884 8.1884 8.5105 8.5105 8.8284 8.8284 9.4117 9.4117 10.5076 10.5076 10.7387 10.7387 10.8182 10.8182 10.9023 10.9023 11.1031 11.1031 11.5258 11.5258 12.5426 12.5426 k = 0.5000 0.2887 0.1746 ( 5542 PWs) bands (ev): -67.5611 -67.5611 -67.5547 -67.5547 -37.3583 -37.3583 -37.3352 -37.3352 -36.2102 -36.2102 -36.1683 -36.1683 -36.0857 -36.0857 -36.0776 -36.0776 0.1537 0.1537 0.3240 0.3240 5.2415 5.2415 6.2378 6.2378 8.0534 8.0534 8.1639 8.1639 8.4838 8.4838 8.8645 8.8645 9.3588 9.3588 10.5279 10.5279 10.7324 10.7324 10.8074 10.8074 10.8996 10.8996 11.1117 11.1117 11.4606 11.4606 12.4815 12.4815 k = 0.5000 0.2887 0.1630 ( 5538 PWs) bands (ev): -67.5613 -67.5613 -67.5538 -67.5538 -37.3590 -37.3590 -37.3345 -37.3345 -36.2114 -36.2114 -36.1670 -36.1670 -36.0860 -36.0860 -36.0773 -36.0773 0.1462 0.1462 0.3263 0.3263 5.2382 5.2382 6.3130 6.3130 8.0367 8.0367 8.1413 8.1413 8.4535 8.4535 8.9005 8.9005 9.3110 9.3110 10.5493 10.5493 10.7275 10.7275 10.7997 10.7997 10.9023 10.9023 11.1239 11.1239 11.3997 11.3997 12.4275 12.4275 k = 0.5000 0.2887 0.1513 ( 5522 PWs) bands (ev): -67.5615 -67.5615 -67.5507 -67.5507 -37.3597 -37.3597 -37.3339 -37.3339 -36.2124 -36.2124 -36.1657 -36.1657 -36.0862 -36.0862 -36.0770 -36.0770 0.1390 0.1390 0.3283 0.3283 5.2367 5.2367 6.3903 6.3903 8.0280 8.0280 8.1200 8.1200 8.4188 8.4188 8.9360 8.9360 9.2660 9.2660 10.5692 10.5692 10.7242 10.7242 10.7930 10.7930 10.9018 10.9018 11.1449 11.1449 11.3432 11.3432 12.3821 12.3821 k = 0.5000 0.2887 0.1397 ( 5516 PWs) bands (ev): -67.5610 -67.5610 -67.5502 -67.5502 -37.3604 -37.3604 -37.3333 -37.3333 -36.2135 -36.2135 -36.1645 -36.1645 -36.0864 -36.0864 -36.0768 -36.0768 0.1321 0.1321 0.3299 0.3299 5.2363 5.2363 6.4695 6.4695 8.0119 8.0119 8.0998 8.0998 8.3782 8.3782 8.9711 8.9711 9.2234 9.2234 10.5858 10.5858 10.7206 10.7206 10.7893 10.7893 10.8967 10.8967 11.1598 11.1598 11.2957 11.2957 12.3352 12.3352 k = 0.5000 0.2887 0.1281 ( 5520 PWs) bands (ev): -67.5619 -67.5619 -67.5501 -67.5501 -37.3610 -37.3610 -37.3327 -37.3327 -36.2145 -36.2145 -36.1635 -36.1635 -36.0866 -36.0866 -36.0766 -36.0766 0.1256 0.1256 0.3313 0.3313 5.2369 5.2369 6.5500 6.5500 7.9971 7.9971 8.0806 8.0806 8.3325 8.3325 9.0029 9.0029 9.1815 9.1815 10.5989 10.5989 10.7163 10.7163 10.7805 10.7805 10.8888 10.8888 11.1702 11.1702 11.2431 11.2431 12.2915 12.2915 k = 0.5000 0.2887 0.1164 ( 5518 PWs) bands (ev): -67.5617 -67.5617 -67.5500 -67.5500 -37.3616 -37.3616 -37.3322 -37.3322 -36.2155 -36.2155 -36.1624 -36.1624 -36.0868 -36.0868 -36.0764 -36.0764 0.1196 0.1196 0.3325 0.3325 5.2384 5.2384 6.6320 6.6320 7.9817 7.9817 8.0626 8.0626 8.2830 8.2830 9.0331 9.0331 9.1443 9.1443 10.6137 10.6137 10.7132 10.7132 10.7749 10.7749 10.8759 10.8759 11.1842 11.1842 11.2046 11.2046 12.2502 12.2502 k = 0.5000 0.2887 0.1048 ( 5522 PWs) bands (ev): -67.5625 -67.5625 -67.5498 -67.5498 -37.3621 -37.3621 -37.3318 -37.3318 -36.2163 -36.2163 -36.1615 -36.1615 -36.0870 -36.0870 -36.0762 -36.0762 0.1140 0.1140 0.3334 0.3334 5.2405 5.2405 6.7149 6.7149 7.9691 7.9691 8.0457 8.0457 8.2287 8.2287 9.0541 9.0541 9.1145 9.1145 10.6211 10.6211 10.7100 10.7100 10.7673 10.7673 10.8613 10.8613 11.1665 11.1665 11.1964 11.1964 12.2139 12.2139 k = 0.5000 0.2887 0.0931 ( 5514 PWs) bands (ev): -67.5619 -67.5619 -67.5490 -67.5490 -37.3625 -37.3625 -37.3313 -37.3313 -36.2171 -36.2171 -36.1606 -36.1606 -36.0872 -36.0872 -36.0760 -36.0760 0.1089 0.1089 0.3343 0.3343 5.2436 5.2436 6.7990 6.7990 7.9576 7.9576 8.0302 8.0302 8.1722 8.1722 9.0489 9.0489 9.1160 9.1160 10.6312 10.6312 10.7105 10.7105 10.7640 10.7640 10.8446 10.8446 11.1440 11.1440 11.2055 11.2055 12.1876 12.1876 k = 0.5000 0.2887 0.0815 ( 5530 PWs) bands (ev): -67.5635 -67.5635 -67.5503 -67.5503 -37.3630 -37.3630 -37.3310 -37.3310 -36.2178 -36.2178 -36.1599 -36.1599 -36.0873 -36.0873 -36.0759 -36.0759 0.1044 0.1044 0.3349 0.3349 5.2463 5.2463 6.8829 6.8829 7.9438 7.9438 8.0148 8.0148 8.1124 8.1124 9.0233 9.0233 9.1362 9.1362 10.6314 10.6314 10.7019 10.7019 10.7562 10.7562 10.8239 10.8239 11.1189 11.1189 11.2009 11.2009 12.1585 12.1585 k = 0.5000 0.2887 0.0698 ( 5534 PWs) bands (ev): -67.5636 -67.5636 -67.5509 -67.5509 -37.3634 -37.3634 -37.3307 -37.3307 -36.2184 -36.2184 -36.1593 -36.1593 -36.0875 -36.0875 -36.0758 -36.0758 0.1004 0.1004 0.3353 0.3353 5.2493 5.2493 6.9667 6.9667 7.9296 7.9296 7.9962 7.9962 8.0563 8.0563 8.9977 8.9977 9.1591 9.1591 10.6346 10.6346 10.7000 10.7000 10.7531 10.7531 10.8038 10.8038 11.1042 11.1042 11.2059 11.2059 12.1338 12.1338 k = 0.5000 0.2887 0.0582 ( 5540 PWs) bands (ev): -67.5647 -67.5647 -67.5509 -67.5509 -37.3637 -37.3637 -37.3304 -37.3304 -36.2189 -36.2189 -36.1587 -36.1587 -36.0876 -36.0876 -36.0757 -36.0757 0.0970 0.0970 0.3356 0.3356 5.2520 5.2520 7.0496 7.0496 7.9131 7.9131 7.9652 7.9652 8.0188 8.0188 8.9740 8.9740 9.1801 9.1801 10.6312 10.6312 10.6950 10.6950 10.7493 10.7493 10.7838 10.7838 11.0921 11.0921 11.2112 11.2112 12.1124 12.1124 k = 0.5000 0.2887 0.0466 ( 5532 PWs) bands (ev): -67.5640 -67.5640 -67.5501 -67.5501 -37.3640 -37.3640 -37.3302 -37.3302 -36.2193 -36.2193 -36.1583 -36.1583 -36.0876 -36.0876 -36.0756 -36.0756 0.0942 0.0942 0.3360 0.3360 5.2551 5.2551 7.1307 7.1307 7.8756 7.8756 7.9394 7.9394 8.0025 8.0025 8.9552 8.9552 9.1985 9.1985 10.6358 10.6358 10.6964 10.6964 10.7487 10.7487 10.7684 10.7684 11.0863 11.0863 11.2138 11.2138 12.1018 12.1018 k = 0.5000 0.2887 0.0349 ( 5526 PWs) bands (ev): -67.5626 -67.5626 -67.5504 -67.5504 -37.3642 -37.3642 -37.3300 -37.3300 -36.2197 -36.2197 -36.1579 -36.1579 -36.0877 -36.0877 -36.0755 -36.0755 0.0920 0.0920 0.3362 0.3362 5.2571 5.2571 7.2074 7.2074 7.8171 7.8171 7.9287 7.9287 7.9936 7.9936 8.9427 8.9427 9.2135 9.2135 10.6384 10.6384 10.6968 10.6968 10.7498 10.7498 10.7593 10.7593 11.0872 11.0872 11.2167 11.2167 12.0869 12.0869 k = 0.5000 0.2887 0.0233 ( 5522 PWs) bands (ev): -67.5627 -67.5627 -67.5497 -67.5497 -37.3643 -37.3643 -37.3299 -37.3299 -36.2199 -36.2199 -36.1576 -36.1576 -36.0877 -36.0877 -36.0754 -36.0754 0.0904 0.0904 0.3364 0.3364 5.2590 5.2590 7.2762 7.2762 7.7591 7.7591 7.9235 7.9235 7.9881 7.9881 8.9319 8.9319 9.2243 9.2243 10.6391 10.6391 10.6941 10.6941 10.7480 10.7480 10.7520 10.7520 11.0842 11.0842 11.2219 11.2219 12.0818 12.0818 k = 0.5000 0.2887 0.0116 ( 5518 PWs) bands (ev): -67.5627 -67.5627 -67.5490 -67.5490 -37.3644 -37.3644 -37.3298 -37.3298 -36.2200 -36.2200 -36.1575 -36.1575 -36.0877 -36.0877 -36.0754 -36.0754 0.0894 0.0894 0.3365 0.3365 5.2600 5.2600 7.3282 7.3282 7.7129 7.7129 7.9213 7.9213 7.9849 7.9849 8.9252 8.9252 9.2309 9.2309 10.6400 10.6400 10.6922 10.6922 10.7452 10.7452 10.7497 10.7497 11.0824 11.0824 11.2310 11.2310 12.0762 12.0762 k = 0.5000 0.2887-0.0000 ( 5524 PWs) bands (ev): -67.5637 -67.5637 -67.5490 -67.5490 -37.3644 -37.3644 -37.3298 -37.3298 -36.2200 -36.2200 -36.1574 -36.1574 -36.0878 -36.0878 -36.0754 -36.0754 0.0891 0.0891 0.3364 0.3364 5.2603 5.2603 7.3488 7.3488 7.6936 7.6936 7.9202 7.9202 7.9839 7.9839 8.9254 8.9254 9.2331 9.2331 10.6346 10.6346 10.6862 10.6862 10.7406 10.7406 10.7495 10.7495 11.0793 11.0793 11.2312 11.2312 12.0733 12.0733 k = 0.3333 0.5774-0.0000 ( 5532 PWs) bands (ev): -67.5601 -67.5601 -67.5535 -67.5535 -37.3647 -37.3647 -37.3300 -37.3300 -36.2203 -36.2203 -36.1574 -36.1574 -36.0885 -36.0885 -36.0762 -36.0762 0.4036 0.4036 0.4106 0.4106 5.5754 5.5754 6.6964 6.6964 6.7781 6.7781 8.0154 8.0154 8.0198 8.0198 8.5715 8.5715 9.9462 9.9462 10.6633 10.6633 10.7561 10.7561 10.8620 10.8620 10.8981 10.8981 11.0113 11.0113 11.9779 11.9779 12.0281 12.0281 k = 0.3333 0.5774 0.0116 ( 5544 PWs) bands (ev): -67.5622 -67.5622 -67.5535 -67.5535 -37.3647 -37.3647 -37.3301 -37.3301 -36.2202 -36.2202 -36.1576 -36.1576 -36.0885 -36.0885 -36.0763 -36.0763 0.4037 0.4037 0.4107 0.4107 5.5767 5.5767 6.6945 6.6945 6.7760 6.7760 8.0170 8.0170 8.0214 8.0214 8.5673 8.5673 9.9382 9.9382 10.6590 10.6590 10.7507 10.7507 10.8558 10.8558 10.8909 10.8909 11.0107 11.0107 11.9734 11.9734 12.0235 12.0235 k = 0.3333 0.5774 0.0233 ( 5550 PWs) bands (ev): -67.5622 -67.5622 -67.5545 -67.5545 -37.3646 -37.3646 -37.3302 -37.3302 -36.2201 -36.2201 -36.1577 -36.1577 -36.0885 -36.0885 -36.0763 -36.0763 0.4039 0.4039 0.4109 0.4109 5.5815 5.5815 6.6877 6.6877 6.7686 6.7686 8.0226 8.0226 8.0266 8.0266 8.5550 8.5550 9.9405 9.9405 10.6560 10.6560 10.7431 10.7431 10.8625 10.8625 10.8930 10.8930 11.0074 11.0074 11.9608 11.9608 12.0102 12.0102 k = 0.3333 0.5774 0.0349 ( 5550 PWs) bands (ev): -67.5622 -67.5622 -67.5546 -67.5546 -37.3645 -37.3645 -37.3303 -37.3303 -36.2199 -36.2199 -36.1580 -36.1580 -36.0884 -36.0884 -36.0764 -36.0764 0.4044 0.4044 0.4114 0.4114 5.5894 5.5894 6.6783 6.6783 6.7586 6.7586 8.0320 8.0320 8.0355 8.0355 8.5347 8.5347 9.9444 9.9444 10.6510 10.6510 10.7317 10.7317 10.8730 10.8730 10.8973 10.8973 11.0044 11.0044 11.9429 11.9429 11.9916 11.9916 k = 0.3333 0.5774 0.0466 ( 5541 PWs) bands (ev): -67.5621 -67.5621 -67.5530 -67.5530 -37.3642 -37.3642 -37.3305 -37.3305 -36.2195 -36.2195 -36.1583 -36.1583 -36.0884 -36.0884 -36.0764 -36.0764 0.4051 0.4051 0.4121 0.4121 5.6006 5.6006 6.6662 6.6662 6.7455 6.7455 8.0448 8.0448 8.0477 8.0477 8.5068 8.5068 9.9498 9.9498 10.6440 10.6440 10.7177 10.7177 10.8858 10.8858 10.9034 10.9034 11.0188 11.0188 11.9210 11.9210 11.9690 11.9690 k = 0.3333 0.5774 0.0582 ( 5535 PWs) bands (ev): -67.5610 -67.5610 -67.5531 -67.5531 -37.3640 -37.3640 -37.3307 -37.3307 -36.2191 -36.2191 -36.1588 -36.1588 -36.0882 -36.0882 -36.0765 -36.0765 0.4058 0.4058 0.4129 0.4129 5.6149 5.6149 6.6496 6.6496 6.7277 6.7277 8.0610 8.0610 8.0632 8.0632 8.4716 8.4716 9.9573 9.9573 10.6373 10.6373 10.7046 10.7046 10.9051 10.9051 10.9166 10.9166 11.0159 11.0159 11.8986 11.8986 11.9459 11.9459 k = 0.3333 0.5774 0.0698 ( 5529 PWs) bands (ev): -67.5598 -67.5598 -67.5532 -67.5532 -37.3637 -37.3637 -37.3309 -37.3309 -36.2186 -36.2186 -36.1593 -36.1593 -36.0881 -36.0881 -36.0766 -36.0766 0.4068 0.4068 0.4139 0.4139 5.6327 5.6327 6.6312 6.6312 6.7080 6.7080 8.0792 8.0792 8.0809 8.0809 8.4298 8.4298 9.9680 9.9680 10.6329 10.6329 10.6936 10.6936 10.9209 10.9209 10.9262 10.9262 11.0086 11.0086 11.8708 11.8708 11.9178 11.9178 k = 0.3333 0.5774 0.0815 ( 5523 PWs) bands (ev): -67.5597 -67.5597 -67.5523 -67.5523 -37.3633 -37.3633 -37.3313 -37.3313 -36.2180 -36.2180 -36.1600 -36.1600 -36.0880 -36.0880 -36.0767 -36.0767 0.4080 0.4080 0.4150 0.4150 5.6533 5.6533 6.6112 6.6112 6.6866 6.6866 8.0992 8.0992 8.1009 8.1009 8.3821 8.3821 9.9781 9.9781 10.6213 10.6213 10.6760 10.6760 10.9365 10.9365 10.9367 10.9367 11.0012 11.0012 11.8484 11.8484 11.8953 11.8953 k = 0.3333 0.5774 0.0931 ( 5529 PWs) bands (ev): -67.5595 -67.5595 -67.5534 -67.5534 -37.3629 -37.3629 -37.3316 -37.3316 -36.2173 -36.2173 -36.1607 -36.1607 -36.0878 -36.0878 -36.0768 -36.0768 0.4092 0.4092 0.4163 0.4163 5.6770 5.6770 6.5885 6.5885 6.6625 6.6625 8.1195 8.1195 8.1221 8.1221 8.3297 8.3297 9.9898 9.9898 10.6084 10.6084 10.6577 10.6577 10.9478 10.9478 10.9525 10.9525 10.9772 10.9772 11.8191 11.8191 11.8660 11.8660 k = 0.3333 0.5774 0.1048 ( 5529 PWs) bands (ev): -67.5594 -67.5594 -67.5536 -67.5536 -37.3624 -37.3624 -37.3320 -37.3320 -36.2166 -36.2166 -36.1616 -36.1616 -36.0877 -36.0877 -36.0770 -36.0770 0.4106 0.4106 0.4176 0.4176 5.7037 5.7037 6.5647 6.5647 6.6373 6.6373 8.1378 8.1378 8.1448 8.1448 8.2753 8.2753 10.0030 10.0030 10.5947 10.5947 10.6390 10.6390 10.9602 10.9602 10.9615 10.9615 10.9728 10.9728 11.7899 11.7899 11.8370 11.8370 k = 0.3333 0.5774 0.1164 ( 5526 PWs) bands (ev): -67.5592 -67.5592 -67.5532 -67.5532 -37.3619 -37.3619 -37.3325 -37.3325 -36.2157 -36.2157 -36.1625 -36.1625 -36.0875 -36.0875 -36.0771 -36.0771 0.4121 0.4121 0.4191 0.4191 5.7335 5.7335 6.5396 6.5396 6.6108 6.6108 8.1433 8.1433 8.1686 8.1686 8.2302 8.2302 10.0177 10.0177 10.5802 10.5802 10.6201 10.6201 10.9563 10.9563 10.9736 10.9736 10.9884 10.9884 11.7629 11.7629 11.8102 11.8102 k = 0.3333 0.5774 0.1281 ( 5532 PWs) bands (ev): -67.5589 -67.5589 -67.5544 -67.5544 -37.3613 -37.3613 -37.3330 -37.3330 -36.2148 -36.2148 -36.1635 -36.1635 -36.0873 -36.0873 -36.0774 -36.0774 0.4136 0.4136 0.4206 0.4206 5.7664 5.7664 6.5136 6.5136 6.5835 6.5835 8.1077 8.1077 8.1920 8.1920 8.2215 8.2215 10.0338 10.0338 10.5647 10.5647 10.6005 10.6005 10.9355 10.9355 10.9876 10.9876 11.0056 11.0056 11.7340 11.7340 11.7817 11.7817 k = 0.3333 0.5774 0.1397 ( 5538 PWs) bands (ev): -67.5597 -67.5597 -67.5546 -67.5546 -37.3607 -37.3607 -37.3336 -37.3336 -36.2138 -36.2138 -36.1647 -36.1647 -36.0871 -36.0871 -36.0776 -36.0776 0.4152 0.4152 0.4222 0.4222 5.8023 5.8023 6.4879 6.4879 6.5565 6.5565 8.0444 8.0444 8.2160 8.2160 8.2377 8.2377 10.0560 10.0560 10.5464 10.5464 10.5779 10.5779 10.9184 10.9184 10.9951 10.9951 11.0169 11.0169 11.7062 11.7062 11.7543 11.7543 k = 0.3333 0.5774 0.1513 ( 5532 PWs) bands (ev): -67.5585 -67.5585 -67.5548 -67.5548 -37.3600 -37.3600 -37.3341 -37.3341 -36.2127 -36.2127 -36.1658 -36.1658 -36.0869 -36.0869 -36.0778 -36.0778 0.4169 0.4169 0.4239 0.4239 5.8411 5.8411 6.4623 6.4623 6.5297 6.5297 7.9722 7.9722 8.2411 8.2411 8.2606 8.2606 10.0752 10.0752 10.5358 10.5358 10.5646 10.5646 10.8997 10.8997 11.0118 11.0118 11.0360 11.0360 11.6792 11.6792 11.7277 11.7277 k = 0.3333 0.5774 0.1630 ( 5553 PWs) bands (ev): -67.5614 -67.5614 -67.5556 -67.5556 -37.3593 -37.3593 -37.3348 -37.3348 -36.2116 -36.2116 -36.1672 -36.1672 -36.0867 -36.0867 -36.0780 -36.0780 0.4186 0.4186 0.4256 0.4256 5.8826 5.8826 6.4370 6.4370 6.5033 6.5033 7.8958 7.8958 8.2641 8.2641 8.2830 8.2830 10.0864 10.0864 10.5118 10.5118 10.5366 10.5366 10.8726 10.8726 11.0178 11.0178 11.0455 11.0455 11.6525 11.6525 11.7015 11.7015 k = 0.3333 0.5774 0.1746 ( 5553 PWs) bands (ev): -67.5612 -67.5612 -67.5558 -67.5558 -37.3586 -37.3586 -37.3355 -37.3355 -36.2103 -36.2103 -36.1685 -36.1685 -36.0865 -36.0865 -36.0783 -36.0783 0.4202 0.4202 0.4273 0.4273 5.9271 5.9271 6.4121 6.4121 6.4774 6.4774 7.8166 7.8166 8.2888 8.2888 8.3078 8.3078 10.1074 10.1074 10.4965 10.4965 10.5188 10.5188 10.8527 10.8527 11.0347 11.0347 11.0644 11.0644 11.6222 11.6222 11.6716 11.6716 k = 0.3333 0.5774 0.1863 ( 5568 PWs) bands (ev): -67.5610 -67.5610 -67.5587 -67.5587 -37.3578 -37.3578 -37.3362 -37.3362 -36.2091 -36.2091 -36.1699 -36.1699 -36.0862 -36.0862 -36.0787 -36.0787 0.4218 0.4218 0.4289 0.4289 5.9744 5.9744 6.3874 6.3874 6.4518 6.4518 7.7350 7.7350 8.3098 8.3098 8.3294 8.3294 10.1296 10.1296 10.4797 10.4797 10.5000 10.5000 10.8314 10.8314 11.0518 11.0518 11.0834 11.0834 11.5799 11.5799 11.6297 11.6297 k = 0.3333 0.5774 0.1979 ( 5580 PWs) bands (ev): -67.5628 -67.5628 -67.5589 -67.5589 -37.3570 -37.3570 -37.3370 -37.3370 -36.2077 -36.2077 -36.1714 -36.1714 -36.0860 -36.0860 -36.0790 -36.0790 0.4234 0.4234 0.4305 0.4305 6.0238 6.0238 6.3648 6.3648 6.4285 6.4285 7.6524 7.6524 8.3308 8.3308 8.3509 8.3509 10.1494 10.1494 10.4579 10.4579 10.4768 10.4768 10.8068 10.8068 11.0634 11.0634 11.0962 11.0962 11.5554 11.5554 11.6057 11.6057 k = 0.3333 0.5774 0.2095 ( 5568 PWs) bands (ev): -67.5605 -67.5605 -67.5592 -67.5592 -37.3562 -37.3562 -37.3377 -37.3377 -36.2063 -36.2063 -36.1728 -36.1728 -36.0857 -36.0857 -36.0792 -36.0792 0.4250 0.4250 0.4321 0.4321 6.0765 6.0765 6.3437 6.3437 6.4068 6.4068 7.5689 7.5689 8.3520 8.3520 8.3727 8.3727 10.1877 10.1877 10.4463 10.4463 10.4642 10.4642 10.7811 10.7811 11.0863 11.0863 11.1200 11.1200 11.5317 11.5317 11.5824 11.5824 k = 0.3333 0.5774 0.2212 ( 5568 PWs) bands (ev): -67.5602 -67.5602 -67.5594 -67.5594 -37.3553 -37.3553 -37.3385 -37.3385 -36.2048 -36.2048 -36.1743 -36.1743 -36.0854 -36.0854 -36.0795 -36.0795 0.4265 0.4265 0.4336 0.4336 6.1315 6.1315 6.3240 6.3240 6.3868 6.3868 7.4848 7.4848 8.3712 8.3712 8.3925 8.3925 10.2126 10.2126 10.4327 10.4327 10.4493 10.4493 10.7544 10.7544 11.1040 11.1040 11.1390 11.1390 11.5087 11.5087 11.5598 11.5598 k = 0.3333 0.5774 0.2328 ( 5574 PWs) bands (ev): -67.5607 -67.5607 -67.5600 -67.5600 -37.3544 -37.3544 -37.3393 -37.3393 -36.2033 -36.2033 -36.1760 -36.1760 -36.0851 -36.0851 -36.0799 -36.0799 0.4279 0.4279 0.4350 0.4350 6.1888 6.1888 6.3059 6.3059 6.3688 6.3688 7.4005 7.4005 8.3886 8.3886 8.4104 8.4104 10.2383 10.2383 10.4198 10.4198 10.4354 10.4354 10.7138 10.7138 11.1217 11.1217 11.1578 11.1578 11.4858 11.4858 11.5374 11.5374 k = 0.3333 0.5774 0.2445 ( 5574 PWs) bands (ev): -67.5610 -67.5610 -67.5597 -67.5597 -37.3535 -37.3535 -37.3402 -37.3402 -36.2018 -36.2018 -36.1776 -36.1776 -36.0848 -36.0848 -36.0802 -36.0802 0.4292 0.4292 0.4362 0.4362 6.2473 6.2473 6.2897 6.2897 6.3541 6.3541 7.3163 7.3163 8.4046 8.4046 8.4269 8.4269 10.2645 10.2645 10.4083 10.4083 10.4234 10.4234 10.6853 10.6853 11.1394 11.1394 11.1763 11.1763 11.4644 11.4644 11.5164 11.5164 k = 0.3333 0.5774 0.2561 ( 5556 PWs) bands (ev): -67.5597 -67.5597 -67.5578 -67.5578 -37.3526 -37.3526 -37.3411 -37.3411 -36.2001 -36.2001 -36.1792 -36.1792 -36.0844 -36.0844 -36.0804 -36.0804 0.4304 0.4304 0.4374 0.4374 6.2756 6.2756 6.3006 6.3006 6.3492 6.3492 7.2327 7.2327 8.4240 8.4240 8.4468 8.4468 10.2919 10.2919 10.4088 10.4088 10.4237 10.4237 10.6576 10.6576 11.1572 11.1572 11.1946 11.1946 11.4445 11.4445 11.4970 11.4970 k = 0.3333 0.5774 0.2677 ( 5565 PWs) bands (ev): -67.5599 -67.5599 -67.5591 -67.5591 -37.3516 -37.3516 -37.3420 -37.3420 -36.1984 -36.1984 -36.1810 -36.1810 -36.0841 -36.0841 -36.0808 -36.0808 0.4314 0.4314 0.4384 0.4384 6.2633 6.2633 6.3143 6.3143 6.3875 6.3875 7.1497 7.1497 8.4348 8.4348 8.4580 8.4580 10.3173 10.3173 10.3945 10.3945 10.4114 10.4114 10.6280 10.6280 11.1706 11.1706 11.2085 11.2085 11.4250 11.4250 11.4780 11.4780 k = 0.3333 0.5774 0.2794 ( 5550 PWs) bands (ev): -67.5588 -67.5588 -67.5576 -67.5576 -37.3506 -37.3506 -37.3429 -37.3429 -36.1967 -36.1967 -36.1827 -36.1827 -36.0838 -36.0838 -36.0810 -36.0810 0.4322 0.4322 0.4393 0.4393 6.2536 6.2536 6.3081 6.3081 6.4506 6.4506 7.0681 7.0681 8.4474 8.4474 8.4709 8.4709 10.3416 10.3416 10.3902 10.3902 10.4111 10.4111 10.6073 10.6073 11.1874 11.1874 11.2257 11.2257 11.4139 11.4139 11.4673 11.4673 k = 0.3333 0.5774 0.2910 ( 5541 PWs) bands (ev): -67.5579 -67.5579 -67.5570 -67.5570 -37.3497 -37.3497 -37.3438 -37.3438 -36.1950 -36.1950 -36.1844 -36.1844 -36.0834 -36.0834 -36.0814 -36.0814 0.4329 0.4329 0.4399 0.4399 6.2455 6.2455 6.3010 6.3010 6.5180 6.5180 6.9879 6.9879 8.4578 8.4578 8.4817 8.4817 10.3667 10.3667 10.3893 10.3893 10.4235 10.4235 10.5729 10.5729 11.2032 11.2032 11.2411 11.2411 11.3956 11.3956 11.4497 11.4497 k = 0.3333 0.5774 0.3027 ( 5541 PWs) bands (ev): -67.5582 -67.5582 -67.5567 -67.5567 -37.3487 -37.3487 -37.3448 -37.3448 -36.1933 -36.1933 -36.1861 -36.1861 -36.0831 -36.0831 -36.0817 -36.0817 0.4334 0.4334 0.4404 0.4404 6.2398 6.2398 6.2956 6.2956 6.5868 6.5868 6.9103 6.9103 8.4636 8.4636 8.4876 8.4876 10.3734 10.3734 10.3850 10.3850 10.4414 10.4414 10.5430 10.5430 11.2148 11.2148 11.2525 11.2525 11.3829 11.3829 11.4377 11.4377 k = 0.3333 0.5774 0.3143 ( 5556 PWs) bands (ev): -67.5590 -67.5590 -67.5585 -67.5585 -37.3477 -37.3477 -37.3458 -37.3458 -36.1915 -36.1915 -36.1880 -36.1880 -36.0828 -36.0828 -36.0821 -36.0821 0.4336 0.4336 0.4406 0.4406 6.2360 6.2360 6.2920 6.2920 6.6530 6.6530 6.8387 6.8387 8.4656 8.4656 8.4896 8.4896 10.3701 10.3701 10.3792 10.3792 10.4535 10.4535 10.5136 10.5136 11.2170 11.2170 11.2550 11.2550 11.3726 11.3726 11.4278 11.4278 k = 0.3333 0.5774 0.3260 ( 5556 PWs) bands (ev): -67.5588 -67.5588 -67.5588 -67.5588 -37.3468 -37.3468 -37.3467 -37.3467 -36.1898 -36.1898 -36.1897 -36.1897 -36.0825 -36.0825 -36.0824 -36.0824 0.4337 0.4337 0.4407 0.4407 6.2349 6.2349 6.2908 6.2908 6.6925 6.6925 6.7975 6.7975 8.4667 8.4667 8.4908 8.4908 10.3706 10.3706 10.3783 10.3783 10.4731 10.4731 10.4925 10.4925 11.2200 11.2200 11.2578 11.2578 11.3694 11.3694 11.4249 11.4249 Writing output data file MnAs.save init_run : 0.10s CPU 0.21s WALL ( 1 calls) electrons : 119.25s CPU 121.46s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.01s CPU 0.04s WALL ( 1 calls) Called by electrons: c_bands : 119.25s CPU 121.45s 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 : 0.02s CPU 0.02s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.05s CPU 0.05s WALL ( 363 calls) cegterg : 108.08s CPU 109.65s WALL ( 378 calls) Called by sum_band: Called by *egterg: h_psi : 65.99s CPU 67.20s WALL ( 5707 calls) s_psi : 1.71s CPU 1.71s WALL ( 5707 calls) g_psi : 0.26s CPU 0.26s WALL ( 4966 calls) cdiaghg : 33.50s CPU 34.16s WALL ( 5329 calls) cegterg:over : 5.58s CPU 5.54s WALL ( 4966 calls) cegterg:upda : 4.63s CPU 4.69s WALL ( 4966 calls) cegterg:last : 2.96s CPU 2.97s WALL ( 1109 calls) cdiaghg:chol : 1.94s CPU 1.95s WALL ( 5329 calls) cdiaghg:inve : 1.14s CPU 1.27s WALL ( 5329 calls) cdiaghg:para : 1.92s CPU 1.97s WALL ( 10658 calls) Called by h_psi: h_psi:vloc : 58.58s CPU 59.77s WALL ( 5707 calls) h_psi:vnl : 7.16s CPU 7.17s WALL ( 5707 calls) add_vuspsi : 3.34s CPU 3.49s WALL ( 5707 calls) General routines calbec : 3.82s CPU 3.66s WALL ( 5707 calls) fft : 0.00s CPU 0.00s WALL ( 15 calls) fftw : 55.56s CPU 56.69s WALL ( 686932 calls) davcio : 0.22s CPU 0.33s WALL ( 726 calls) Parallel routines fft_scatter : 21.23s CPU 21.45s WALL ( 686947 calls) PWSCF : 2m17.60s CPU 2m31.82s WALL This run was terminated on: 13:18:57 3Jan2017 =------------------------------------------------------------------------------= JOB DONE. 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