Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 16:53:21 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: ./Cd.save/ file Cd.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4D 4D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 38 9 3 2188 241 43 Max 39 10 4 2199 262 49 Sum 1393 337 109 78985 9077 1667 bravais-lattice index = 14 lattice parameter (alat) = 5.6183 a.u. unit-cell volume = 289.6470 (a.u.)^3 number of atoms/cell = 2 number of atomic types = 1 number of electrons = 24.00 number of Kohn-Sham states= 32 kinetic-energy cutoff = 38.0000 Ry charge density cutoff = 639.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 5.618344 celldm(2)= 1.000000 celldm(3)= 1.885877 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 1.885877 ) 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 0.530257 ) PseudoPot. # 1 for Cd read from file: /users/gautes/Pseudo/Cd.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 1d41bce1441572f114805845d9d822b0 Pseudo is Ultrasoft + core correction, Zval = 12.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1239 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Cd 12.00 112.41100 Cd( 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 ) ( 0.9429383 ) 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 ) ( 0.9429383 ) 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 ) ( 0.9429383 ) 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 ) ( 0.9429383 ) 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 ) ( 0.9429383 ) 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 ) ( 0.9429383 ) 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 ) ( 0.9429383 ) 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 ) ( 0.9429383 ) 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 ) ( 0.9429383 ) 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 ) ( 0.9429383 ) 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 ) ( 0.9429383 ) 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 ) ( 0.9429383 ) 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= 434 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023041 k( 2) = ( 0.0080645 0.0046561 -0.0000000), wk = 0.0023041 k( 3) = ( 0.0161290 0.0093121 -0.0000000), wk = 0.0023041 k( 4) = ( 0.0241936 0.0139682 -0.0000000), wk = 0.0023041 k( 5) = ( 0.0322581 0.0186242 -0.0000000), wk = 0.0023041 k( 6) = ( 0.0403226 0.0232803 -0.0000000), wk = 0.0023041 k( 7) = ( 0.0483871 0.0279363 -0.0000000), wk = 0.0023041 k( 8) = ( 0.0564516 0.0325924 -0.0000000), wk = 0.0023041 k( 9) = ( 0.0645161 0.0372484 -0.0000000), wk = 0.0023041 k( 10) = ( 0.0725806 0.0419045 -0.0000000), wk = 0.0023041 k( 11) = ( 0.0806452 0.0465605 -0.0000000), wk = 0.0023041 k( 12) = ( 0.0887097 0.0512166 -0.0000000), wk = 0.0023041 k( 13) = ( 0.0967742 0.0558726 -0.0000000), wk = 0.0023041 k( 14) = ( 0.1048387 0.0605287 -0.0000000), wk = 0.0023041 k( 15) = ( 0.1129032 0.0651847 -0.0000000), wk = 0.0023041 k( 16) = ( 0.1209677 0.0698408 -0.0000000), wk = 0.0023041 k( 17) = ( 0.1290323 0.0744968 -0.0000000), wk = 0.0023041 k( 18) = ( 0.1370968 0.0791529 -0.0000000), wk = 0.0023041 k( 19) = ( 0.1451613 0.0838089 -0.0000000), wk = 0.0023041 k( 20) = ( 0.1532258 0.0884650 -0.0000000), wk = 0.0023041 k( 21) = ( 0.1612903 0.0931210 -0.0000000), wk = 0.0023041 k( 22) = ( 0.1693548 0.0977771 -0.0000000), wk = 0.0023041 k( 23) = ( 0.1774194 0.1024331 -0.0000000), wk = 0.0023041 k( 24) = ( 0.1854839 0.1070892 -0.0000000), wk = 0.0023041 k( 25) = ( 0.1935484 0.1117452 -0.0000000), wk = 0.0023041 k( 26) = ( 0.2016129 0.1164013 -0.0000000), wk = 0.0023041 k( 27) = ( 0.2096774 0.1210573 -0.0000000), wk = 0.0023041 k( 28) = ( 0.2177419 0.1257134 -0.0000000), wk = 0.0023041 k( 29) = ( 0.2258064 0.1303694 -0.0000000), wk = 0.0023041 k( 30) = ( 0.2338710 0.1350255 -0.0000000), wk = 0.0023041 k( 31) = ( 0.2419355 0.1396815 -0.0000000), wk = 0.0023041 k( 32) = ( 0.2500000 0.1443376 -0.0000000), wk = 0.0023041 k( 33) = ( 0.2580645 0.1489936 -0.0000000), wk = 0.0023041 k( 34) = ( 0.2661290 0.1536497 -0.0000000), wk = 0.0023041 k( 35) = ( 0.2741936 0.1583057 -0.0000000), wk = 0.0023041 k( 36) = ( 0.2822581 0.1629618 -0.0000000), wk = 0.0023041 k( 37) = ( 0.2903226 0.1676178 -0.0000000), wk = 0.0023041 k( 38) = ( 0.2983871 0.1722739 -0.0000000), wk = 0.0023041 k( 39) = ( 0.3064516 0.1769299 -0.0000000), wk = 0.0023041 k( 40) = ( 0.3145161 0.1815860 -0.0000000), wk = 0.0023041 k( 41) = ( 0.3225807 0.1862420 -0.0000000), wk = 0.0023041 k( 42) = ( 0.3306452 0.1908981 -0.0000000), wk = 0.0023041 k( 43) = ( 0.3387097 0.1955541 -0.0000000), wk = 0.0023041 k( 44) = ( 0.3467742 0.2002102 -0.0000000), wk = 0.0023041 k( 45) = ( 0.3548387 0.2048662 -0.0000000), wk = 0.0023041 k( 46) = ( 0.3629032 0.2095223 -0.0000000), wk = 0.0023041 k( 47) = ( 0.3709677 0.2141783 -0.0000000), wk = 0.0023041 k( 48) = ( 0.3790323 0.2188344 -0.0000000), wk = 0.0023041 k( 49) = ( 0.3870968 0.2234904 -0.0000000), wk = 0.0023041 k( 50) = ( 0.3951613 0.2281465 -0.0000000), wk = 0.0023041 k( 51) = ( 0.4032258 0.2328025 -0.0000000), wk = 0.0023041 k( 52) = ( 0.4112903 0.2374586 -0.0000000), wk = 0.0023041 k( 53) = ( 0.4193548 0.2421146 -0.0000000), wk = 0.0023041 k( 54) = ( 0.4274193 0.2467707 -0.0000000), wk = 0.0023041 k( 55) = ( 0.4354839 0.2514267 -0.0000000), wk = 0.0023041 k( 56) = ( 0.4435484 0.2560828 -0.0000000), wk = 0.0023041 k( 57) = ( 0.4516129 0.2607388 -0.0000000), wk = 0.0023041 k( 58) = ( 0.4596774 0.2653949 -0.0000000), wk = 0.0023041 k( 59) = ( 0.4677419 0.2700509 -0.0000000), wk = 0.0023041 k( 60) = ( 0.4758064 0.2747070 -0.0000000), wk = 0.0023041 k( 61) = ( 0.4838710 0.2793630 -0.0000000), wk = 0.0023041 k( 62) = ( 0.4919355 0.2840191 -0.0000000), wk = 0.0023041 k( 63) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0023041 k( 64) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0023041 k( 65) = ( 0.4953704 0.2966939 -0.0000000), wk = 0.0023041 k( 66) = ( 0.4907407 0.3047126 -0.0000000), wk = 0.0023041 k( 67) = ( 0.4861111 0.3127314 -0.0000000), wk = 0.0023041 k( 68) = ( 0.4814815 0.3207502 -0.0000000), wk = 0.0023041 k( 69) = ( 0.4768519 0.3287689 -0.0000000), wk = 0.0023041 k( 70) = ( 0.4722222 0.3367877 -0.0000000), wk = 0.0023041 k( 71) = ( 0.4675926 0.3448064 -0.0000000), wk = 0.0023041 k( 72) = ( 0.4629630 0.3528252 -0.0000000), wk = 0.0023041 k( 73) = ( 0.4583333 0.3608439 -0.0000000), wk = 0.0023041 k( 74) = ( 0.4537037 0.3688627 -0.0000000), wk = 0.0023041 k( 75) = ( 0.4490741 0.3768814 -0.0000000), wk = 0.0023041 k( 76) = ( 0.4444444 0.3849002 -0.0000000), wk = 0.0023041 k( 77) = ( 0.4398148 0.3929189 -0.0000000), wk = 0.0023041 k( 78) = ( 0.4351852 0.4009377 -0.0000000), wk = 0.0023041 k( 79) = ( 0.4305556 0.4089564 -0.0000000), wk = 0.0023041 k( 80) = ( 0.4259259 0.4169752 -0.0000000), wk = 0.0023041 k( 81) = ( 0.4212963 0.4249940 -0.0000000), wk = 0.0023041 k( 82) = ( 0.4166667 0.4330127 -0.0000000), wk = 0.0023041 k( 83) = ( 0.4120370 0.4410315 -0.0000000), wk = 0.0023041 k( 84) = ( 0.4074074 0.4490502 -0.0000000), wk = 0.0023041 k( 85) = ( 0.4027778 0.4570690 -0.0000000), wk = 0.0023041 k( 86) = ( 0.3981481 0.4650877 -0.0000000), wk = 0.0023041 k( 87) = ( 0.3935185 0.4731065 -0.0000000), wk = 0.0023041 k( 88) = ( 0.3888889 0.4811252 -0.0000000), wk = 0.0023041 k( 89) = ( 0.3842593 0.4891440 -0.0000000), wk = 0.0023041 k( 90) = ( 0.3796296 0.4971627 -0.0000000), wk = 0.0023041 k( 91) = ( 0.3750000 0.5051815 -0.0000000), wk = 0.0023041 k( 92) = ( 0.3703704 0.5132002 -0.0000000), wk = 0.0023041 k( 93) = ( 0.3657407 0.5212190 -0.0000000), wk = 0.0023041 k( 94) = ( 0.3611111 0.5292377 -0.0000000), wk = 0.0023041 k( 95) = ( 0.3564815 0.5372565 -0.0000000), wk = 0.0023041 k( 96) = ( 0.3518519 0.5452753 -0.0000000), wk = 0.0023041 k( 97) = ( 0.3472222 0.5532940 -0.0000000), wk = 0.0023041 k( 98) = ( 0.3425926 0.5613128 -0.0000000), wk = 0.0023041 k( 99) = ( 0.3379630 0.5693315 -0.0000000), wk = 0.0023041 k( 100) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0023041 k( 101) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0023041 k( 102) = ( 0.3286385 0.5692186 -0.0000000), wk = 0.0023041 k( 103) = ( 0.3239437 0.5610869 -0.0000000), wk = 0.0023041 k( 104) = ( 0.3192488 0.5529552 -0.0000000), wk = 0.0023041 k( 105) = ( 0.3145540 0.5448235 -0.0000000), wk = 0.0023041 k( 106) = ( 0.3098592 0.5366918 -0.0000000), wk = 0.0023041 k( 107) = ( 0.3051643 0.5285601 -0.0000000), wk = 0.0023041 k( 108) = ( 0.3004695 0.5204284 -0.0000000), wk = 0.0023041 k( 109) = ( 0.2957746 0.5122967 -0.0000000), wk = 0.0023041 k( 110) = ( 0.2910798 0.5041650 -0.0000000), wk = 0.0023041 k( 111) = ( 0.2863850 0.4960333 -0.0000000), wk = 0.0023041 k( 112) = ( 0.2816901 0.4879016 -0.0000000), wk = 0.0023041 k( 113) = ( 0.2769953 0.4797700 -0.0000000), wk = 0.0023041 k( 114) = ( 0.2723005 0.4716382 -0.0000000), wk = 0.0023041 k( 115) = ( 0.2676056 0.4635065 -0.0000000), wk = 0.0023041 k( 116) = ( 0.2629108 0.4553749 -0.0000000), wk = 0.0023041 k( 117) = ( 0.2582160 0.4472432 -0.0000000), wk = 0.0023041 k( 118) = ( 0.2535211 0.4391115 -0.0000000), wk = 0.0023041 k( 119) = ( 0.2488263 0.4309798 -0.0000000), wk = 0.0023041 k( 120) = ( 0.2441315 0.4228481 -0.0000000), wk = 0.0023041 k( 121) = ( 0.2394366 0.4147164 -0.0000000), wk = 0.0023041 k( 122) = ( 0.2347418 0.4065847 -0.0000000), wk = 0.0023041 k( 123) = ( 0.2300470 0.3984530 -0.0000000), wk = 0.0023041 k( 124) = ( 0.2253521 0.3903213 -0.0000000), wk = 0.0023041 k( 125) = ( 0.2206573 0.3821896 -0.0000000), wk = 0.0023041 k( 126) = ( 0.2159624 0.3740579 -0.0000000), wk = 0.0023041 k( 127) = ( 0.2112676 0.3659262 -0.0000000), wk = 0.0023041 k( 128) = ( 0.2065728 0.3577945 -0.0000000), wk = 0.0023041 k( 129) = ( 0.2018779 0.3496628 -0.0000000), wk = 0.0023041 k( 130) = ( 0.1971831 0.3415311 -0.0000000), wk = 0.0023041 k( 131) = ( 0.1924883 0.3333994 -0.0000000), wk = 0.0023041 k( 132) = ( 0.1877934 0.3252678 -0.0000000), wk = 0.0023041 k( 133) = ( 0.1830986 0.3171361 -0.0000000), wk = 0.0023041 k( 134) = ( 0.1784038 0.3090044 -0.0000000), wk = 0.0023041 k( 135) = ( 0.1737089 0.3008727 -0.0000000), wk = 0.0023041 k( 136) = ( 0.1690141 0.2927410 -0.0000000), wk = 0.0023041 k( 137) = ( 0.1643193 0.2846093 -0.0000000), wk = 0.0023041 k( 138) = ( 0.1596244 0.2764776 -0.0000000), wk = 0.0023041 k( 139) = ( 0.1549296 0.2683459 -0.0000000), wk = 0.0023041 k( 140) = ( 0.1502347 0.2602142 -0.0000000), wk = 0.0023041 k( 141) = ( 0.1455399 0.2520825 -0.0000000), wk = 0.0023041 k( 142) = ( 0.1408451 0.2439508 -0.0000000), wk = 0.0023041 k( 143) = ( 0.1361502 0.2358191 -0.0000000), wk = 0.0023041 k( 144) = ( 0.1314554 0.2276874 -0.0000000), wk = 0.0023041 k( 145) = ( 0.1267606 0.2195557 -0.0000000), wk = 0.0023041 k( 146) = ( 0.1220657 0.2114240 -0.0000000), wk = 0.0023041 k( 147) = ( 0.1173709 0.2032923 -0.0000000), wk = 0.0023041 k( 148) = ( 0.1126761 0.1951607 -0.0000000), wk = 0.0023041 k( 149) = ( 0.1079812 0.1870290 -0.0000000), wk = 0.0023041 k( 150) = ( 0.1032864 0.1788973 -0.0000000), wk = 0.0023041 k( 151) = ( 0.0985916 0.1707656 -0.0000000), wk = 0.0023041 k( 152) = ( 0.0938967 0.1626339 -0.0000000), wk = 0.0023041 k( 153) = ( 0.0892019 0.1545022 -0.0000000), wk = 0.0023041 k( 154) = ( 0.0845070 0.1463705 -0.0000000), wk = 0.0023041 k( 155) = ( 0.0798122 0.1382388 -0.0000000), wk = 0.0023041 k( 156) = ( 0.0751174 0.1301071 -0.0000000), wk = 0.0023041 k( 157) = ( 0.0704225 0.1219754 -0.0000000), wk = 0.0023041 k( 158) = ( 0.0657277 0.1138437 -0.0000000), wk = 0.0023041 k( 159) = ( 0.0610329 0.1057120 -0.0000000), wk = 0.0023041 k( 160) = ( 0.0563380 0.0975803 -0.0000000), wk = 0.0023041 k( 161) = ( 0.0516432 0.0894486 -0.0000000), wk = 0.0023041 k( 162) = ( 0.0469484 0.0813169 -0.0000000), wk = 0.0023041 k( 163) = ( 0.0422535 0.0731852 -0.0000000), wk = 0.0023041 k( 164) = ( 0.0375587 0.0650536 -0.0000000), wk = 0.0023041 k( 165) = ( 0.0328639 0.0569219 -0.0000000), wk = 0.0023041 k( 166) = ( 0.0281690 0.0487902 -0.0000000), wk = 0.0023041 k( 167) = ( 0.0234742 0.0406585 -0.0000000), wk = 0.0023041 k( 168) = ( 0.0187793 0.0325268 -0.0000000), wk = 0.0023041 k( 169) = ( 0.0140845 0.0243951 -0.0000000), wk = 0.0023041 k( 170) = ( 0.0093897 0.0162634 -0.0000000), wk = 0.0023041 k( 171) = ( 0.0046948 0.0081317 -0.0000000), wk = 0.0023041 k( 172) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023041 k( 173) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023041 k( 174) = ( 0.0000000 0.0000000 0.0091424), wk = 0.0023041 k( 175) = ( 0.0000000 0.0000000 0.0182847), wk = 0.0023041 k( 176) = ( 0.0000000 0.0000000 0.0274271), wk = 0.0023041 k( 177) = ( 0.0000000 0.0000000 0.0365695), wk = 0.0023041 k( 178) = ( 0.0000000 0.0000000 0.0457118), wk = 0.0023041 k( 179) = ( 0.0000000 0.0000000 0.0548542), wk = 0.0023041 k( 180) = ( 0.0000000 0.0000000 0.0639966), wk = 0.0023041 k( 181) = ( 0.0000000 0.0000000 0.0731389), wk = 0.0023041 k( 182) = ( 0.0000000 0.0000000 0.0822813), wk = 0.0023041 k( 183) = ( 0.0000000 0.0000000 0.0914237), wk = 0.0023041 k( 184) = ( 0.0000000 0.0000000 0.1005661), wk = 0.0023041 k( 185) = ( 0.0000000 0.0000000 0.1097084), wk = 0.0023041 k( 186) = ( 0.0000000 0.0000000 0.1188508), wk = 0.0023041 k( 187) = ( 0.0000000 0.0000000 0.1279932), wk = 0.0023041 k( 188) = ( 0.0000000 0.0000000 0.1371355), wk = 0.0023041 k( 189) = ( 0.0000000 0.0000000 0.1462779), wk = 0.0023041 k( 190) = ( 0.0000000 0.0000000 0.1554203), wk = 0.0023041 k( 191) = ( 0.0000000 0.0000000 0.1645626), wk = 0.0023041 k( 192) = ( 0.0000000 0.0000000 0.1737050), wk = 0.0023041 k( 193) = ( 0.0000000 0.0000000 0.1828474), wk = 0.0023041 k( 194) = ( 0.0000000 0.0000000 0.1919897), wk = 0.0023041 k( 195) = ( 0.0000000 0.0000000 0.2011321), wk = 0.0023041 k( 196) = ( 0.0000000 0.0000000 0.2102745), wk = 0.0023041 k( 197) = ( 0.0000000 0.0000000 0.2194168), wk = 0.0023041 k( 198) = ( 0.0000000 0.0000000 0.2285592), wk = 0.0023041 k( 199) = ( 0.0000000 0.0000000 0.2377016), wk = 0.0023041 k( 200) = ( 0.0000000 0.0000000 0.2468439), wk = 0.0023041 k( 201) = ( 0.0000000 0.0000000 0.2559863), wk = 0.0023041 k( 202) = ( 0.0000000 0.0000000 0.2651287), wk = 0.0023041 k( 203) = ( 0.0000000 0.0000000 0.2651287), wk = 0.0023041 k( 204) = ( 0.0080645 0.0046561 0.2651287), wk = 0.0023041 k( 205) = ( 0.0161290 0.0093121 0.2651287), wk = 0.0023041 k( 206) = ( 0.0241936 0.0139682 0.2651287), wk = 0.0023041 k( 207) = ( 0.0322581 0.0186242 0.2651287), wk = 0.0023041 k( 208) = ( 0.0403226 0.0232803 0.2651287), wk = 0.0023041 k( 209) = ( 0.0483871 0.0279363 0.2651287), wk = 0.0023041 k( 210) = ( 0.0564516 0.0325924 0.2651287), wk = 0.0023041 k( 211) = ( 0.0645161 0.0372484 0.2651287), wk = 0.0023041 k( 212) = ( 0.0725806 0.0419045 0.2651287), wk = 0.0023041 k( 213) = ( 0.0806452 0.0465605 0.2651287), wk = 0.0023041 k( 214) = ( 0.0887097 0.0512166 0.2651287), wk = 0.0023041 k( 215) = ( 0.0967742 0.0558726 0.2651287), wk = 0.0023041 k( 216) = ( 0.1048387 0.0605287 0.2651287), wk = 0.0023041 k( 217) = ( 0.1129032 0.0651847 0.2651287), wk = 0.0023041 k( 218) = ( 0.1209677 0.0698408 0.2651287), wk = 0.0023041 k( 219) = ( 0.1290323 0.0744968 0.2651287), wk = 0.0023041 k( 220) = ( 0.1370968 0.0791529 0.2651287), wk = 0.0023041 k( 221) = ( 0.1451613 0.0838089 0.2651287), wk = 0.0023041 k( 222) = ( 0.1532258 0.0884650 0.2651287), wk = 0.0023041 k( 223) = ( 0.1612903 0.0931210 0.2651287), wk = 0.0023041 k( 224) = ( 0.1693548 0.0977771 0.2651287), wk = 0.0023041 k( 225) = ( 0.1774194 0.1024331 0.2651287), wk = 0.0023041 k( 226) = ( 0.1854839 0.1070892 0.2651287), wk = 0.0023041 k( 227) = ( 0.1935484 0.1117452 0.2651287), wk = 0.0023041 k( 228) = ( 0.2016129 0.1164013 0.2651287), wk = 0.0023041 k( 229) = ( 0.2096774 0.1210573 0.2651287), wk = 0.0023041 k( 230) = ( 0.2177419 0.1257134 0.2651287), wk = 0.0023041 k( 231) = ( 0.2258064 0.1303694 0.2651287), wk = 0.0023041 k( 232) = ( 0.2338710 0.1350255 0.2651287), wk = 0.0023041 k( 233) = ( 0.2419355 0.1396815 0.2651287), wk = 0.0023041 k( 234) = ( 0.2500000 0.1443376 0.2651287), wk = 0.0023041 k( 235) = ( 0.2580645 0.1489936 0.2651287), wk = 0.0023041 k( 236) = ( 0.2661290 0.1536497 0.2651287), wk = 0.0023041 k( 237) = ( 0.2741936 0.1583057 0.2651287), wk = 0.0023041 k( 238) = ( 0.2822581 0.1629618 0.2651287), wk = 0.0023041 k( 239) = ( 0.2903226 0.1676178 0.2651287), wk = 0.0023041 k( 240) = ( 0.2983871 0.1722739 0.2651287), wk = 0.0023041 k( 241) = ( 0.3064516 0.1769299 0.2651287), wk = 0.0023041 k( 242) = ( 0.3145161 0.1815860 0.2651287), wk = 0.0023041 k( 243) = ( 0.3225807 0.1862420 0.2651287), wk = 0.0023041 k( 244) = ( 0.3306452 0.1908981 0.2651287), wk = 0.0023041 k( 245) = ( 0.3387097 0.1955541 0.2651287), wk = 0.0023041 k( 246) = ( 0.3467742 0.2002102 0.2651287), wk = 0.0023041 k( 247) = ( 0.3548387 0.2048662 0.2651287), wk = 0.0023041 k( 248) = ( 0.3629032 0.2095223 0.2651287), wk = 0.0023041 k( 249) = ( 0.3709677 0.2141783 0.2651287), wk = 0.0023041 k( 250) = ( 0.3790323 0.2188344 0.2651287), wk = 0.0023041 k( 251) = ( 0.3870968 0.2234904 0.2651287), wk = 0.0023041 k( 252) = ( 0.3951613 0.2281465 0.2651287), wk = 0.0023041 k( 253) = ( 0.4032258 0.2328025 0.2651287), wk = 0.0023041 k( 254) = ( 0.4112903 0.2374586 0.2651287), wk = 0.0023041 k( 255) = ( 0.4193548 0.2421146 0.2651287), wk = 0.0023041 k( 256) = ( 0.4274193 0.2467707 0.2651287), wk = 0.0023041 k( 257) = ( 0.4354839 0.2514267 0.2651287), wk = 0.0023041 k( 258) = ( 0.4435484 0.2560828 0.2651287), wk = 0.0023041 k( 259) = ( 0.4516129 0.2607388 0.2651287), wk = 0.0023041 k( 260) = ( 0.4596774 0.2653949 0.2651287), wk = 0.0023041 k( 261) = ( 0.4677419 0.2700509 0.2651287), wk = 0.0023041 k( 262) = ( 0.4758064 0.2747070 0.2651287), wk = 0.0023041 k( 263) = ( 0.4838710 0.2793630 0.2651287), wk = 0.0023041 k( 264) = ( 0.4919355 0.2840191 0.2651287), wk = 0.0023041 k( 265) = ( 0.5000000 0.2886751 0.2651287), wk = 0.0023041 k( 266) = ( 0.5000000 0.2886751 0.2651287), wk = 0.0023041 k( 267) = ( 0.4953704 0.2966939 0.2651287), wk = 0.0023041 k( 268) = ( 0.4907407 0.3047126 0.2651287), wk = 0.0023041 k( 269) = ( 0.4861111 0.3127314 0.2651287), wk = 0.0023041 k( 270) = ( 0.4814815 0.3207502 0.2651287), wk = 0.0023041 k( 271) = ( 0.4768519 0.3287689 0.2651287), wk = 0.0023041 k( 272) = ( 0.4722222 0.3367877 0.2651287), wk = 0.0023041 k( 273) = ( 0.4675926 0.3448064 0.2651287), wk = 0.0023041 k( 274) = ( 0.4629630 0.3528252 0.2651287), wk = 0.0023041 k( 275) = ( 0.4583333 0.3608439 0.2651287), wk = 0.0023041 k( 276) = ( 0.4537037 0.3688627 0.2651287), wk = 0.0023041 k( 277) = ( 0.4490741 0.3768814 0.2651287), wk = 0.0023041 k( 278) = ( 0.4444444 0.3849002 0.2651287), wk = 0.0023041 k( 279) = ( 0.4398148 0.3929189 0.2651287), wk = 0.0023041 k( 280) = ( 0.4351852 0.4009377 0.2651287), wk = 0.0023041 k( 281) = ( 0.4305556 0.4089564 0.2651287), wk = 0.0023041 k( 282) = ( 0.4259259 0.4169752 0.2651287), wk = 0.0023041 k( 283) = ( 0.4212963 0.4249940 0.2651287), wk = 0.0023041 k( 284) = ( 0.4166667 0.4330127 0.2651287), wk = 0.0023041 k( 285) = ( 0.4120370 0.4410315 0.2651287), wk = 0.0023041 k( 286) = ( 0.4074074 0.4490502 0.2651287), wk = 0.0023041 k( 287) = ( 0.4027778 0.4570690 0.2651287), wk = 0.0023041 k( 288) = ( 0.3981481 0.4650877 0.2651287), wk = 0.0023041 k( 289) = ( 0.3935185 0.4731065 0.2651287), wk = 0.0023041 k( 290) = ( 0.3888889 0.4811252 0.2651287), wk = 0.0023041 k( 291) = ( 0.3842593 0.4891440 0.2651287), wk = 0.0023041 k( 292) = ( 0.3796296 0.4971627 0.2651287), wk = 0.0023041 k( 293) = ( 0.3750000 0.5051815 0.2651287), wk = 0.0023041 k( 294) = ( 0.3703704 0.5132002 0.2651287), wk = 0.0023041 k( 295) = ( 0.3657407 0.5212190 0.2651287), wk = 0.0023041 k( 296) = ( 0.3611111 0.5292377 0.2651287), wk = 0.0023041 k( 297) = ( 0.3564815 0.5372565 0.2651287), wk = 0.0023041 k( 298) = ( 0.3518519 0.5452753 0.2651287), wk = 0.0023041 k( 299) = ( 0.3472222 0.5532940 0.2651287), wk = 0.0023041 k( 300) = ( 0.3425926 0.5613128 0.2651287), wk = 0.0023041 k( 301) = ( 0.3379630 0.5693315 0.2651287), wk = 0.0023041 k( 302) = ( 0.3333333 0.5773503 0.2651287), wk = 0.0023041 k( 303) = ( 0.3333333 0.5773503 0.2651287), wk = 0.0023041 k( 304) = ( 0.3286385 0.5692186 0.2651287), wk = 0.0023041 k( 305) = ( 0.3239437 0.5610869 0.2651287), wk = 0.0023041 k( 306) = ( 0.3192488 0.5529552 0.2651287), wk = 0.0023041 k( 307) = ( 0.3145540 0.5448235 0.2651287), wk = 0.0023041 k( 308) = ( 0.3098592 0.5366918 0.2651287), wk = 0.0023041 k( 309) = ( 0.3051643 0.5285601 0.2651287), wk = 0.0023041 k( 310) = ( 0.3004695 0.5204284 0.2651287), wk = 0.0023041 k( 311) = ( 0.2957746 0.5122967 0.2651287), wk = 0.0023041 k( 312) = ( 0.2910798 0.5041650 0.2651287), wk = 0.0023041 k( 313) = ( 0.2863850 0.4960333 0.2651287), wk = 0.0023041 k( 314) = ( 0.2816901 0.4879016 0.2651287), wk = 0.0023041 k( 315) = ( 0.2769953 0.4797700 0.2651287), wk = 0.0023041 k( 316) = ( 0.2723005 0.4716382 0.2651287), wk = 0.0023041 k( 317) = ( 0.2676056 0.4635065 0.2651287), wk = 0.0023041 k( 318) = ( 0.2629108 0.4553749 0.2651287), wk = 0.0023041 k( 319) = ( 0.2582160 0.4472432 0.2651287), wk = 0.0023041 k( 320) = ( 0.2535211 0.4391115 0.2651287), wk = 0.0023041 k( 321) = ( 0.2488263 0.4309798 0.2651287), wk = 0.0023041 k( 322) = ( 0.2441315 0.4228481 0.2651287), wk = 0.0023041 k( 323) = ( 0.2394366 0.4147164 0.2651287), wk = 0.0023041 k( 324) = ( 0.2347418 0.4065847 0.2651287), wk = 0.0023041 k( 325) = ( 0.2300470 0.3984530 0.2651287), wk = 0.0023041 k( 326) = ( 0.2253521 0.3903213 0.2651287), wk = 0.0023041 k( 327) = ( 0.2206573 0.3821896 0.2651287), wk = 0.0023041 k( 328) = ( 0.2159624 0.3740579 0.2651287), wk = 0.0023041 k( 329) = ( 0.2112676 0.3659262 0.2651287), wk = 0.0023041 k( 330) = ( 0.2065728 0.3577945 0.2651287), wk = 0.0023041 k( 331) = ( 0.2018779 0.3496628 0.2651287), wk = 0.0023041 k( 332) = ( 0.1971831 0.3415311 0.2651287), wk = 0.0023041 k( 333) = ( 0.1924883 0.3333994 0.2651287), wk = 0.0023041 k( 334) = ( 0.1877934 0.3252678 0.2651287), wk = 0.0023041 k( 335) = ( 0.1830986 0.3171361 0.2651287), wk = 0.0023041 k( 336) = ( 0.1784038 0.3090044 0.2651287), wk = 0.0023041 k( 337) = ( 0.1737089 0.3008727 0.2651287), wk = 0.0023041 k( 338) = ( 0.1690141 0.2927410 0.2651287), wk = 0.0023041 k( 339) = ( 0.1643193 0.2846093 0.2651287), wk = 0.0023041 k( 340) = ( 0.1596244 0.2764776 0.2651287), wk = 0.0023041 k( 341) = ( 0.1549296 0.2683459 0.2651287), wk = 0.0023041 k( 342) = ( 0.1502347 0.2602142 0.2651287), wk = 0.0023041 k( 343) = ( 0.1455399 0.2520825 0.2651287), wk = 0.0023041 k( 344) = ( 0.1408451 0.2439508 0.2651287), wk = 0.0023041 k( 345) = ( 0.1361502 0.2358191 0.2651287), wk = 0.0023041 k( 346) = ( 0.1314554 0.2276874 0.2651287), wk = 0.0023041 k( 347) = ( 0.1267606 0.2195557 0.2651287), wk = 0.0023041 k( 348) = ( 0.1220657 0.2114240 0.2651287), wk = 0.0023041 k( 349) = ( 0.1173709 0.2032923 0.2651287), wk = 0.0023041 k( 350) = ( 0.1126761 0.1951607 0.2651287), wk = 0.0023041 k( 351) = ( 0.1079812 0.1870290 0.2651287), wk = 0.0023041 k( 352) = ( 0.1032864 0.1788973 0.2651287), wk = 0.0023041 k( 353) = ( 0.0985916 0.1707656 0.2651287), wk = 0.0023041 k( 354) = ( 0.0938967 0.1626339 0.2651287), wk = 0.0023041 k( 355) = ( 0.0892019 0.1545022 0.2651287), wk = 0.0023041 k( 356) = ( 0.0845070 0.1463705 0.2651287), wk = 0.0023041 k( 357) = ( 0.0798122 0.1382388 0.2651287), wk = 0.0023041 k( 358) = ( 0.0751174 0.1301071 0.2651287), wk = 0.0023041 k( 359) = ( 0.0704225 0.1219754 0.2651287), wk = 0.0023041 k( 360) = ( 0.0657277 0.1138437 0.2651287), wk = 0.0023041 k( 361) = ( 0.0610329 0.1057120 0.2651287), wk = 0.0023041 k( 362) = ( 0.0563380 0.0975803 0.2651287), wk = 0.0023041 k( 363) = ( 0.0516432 0.0894486 0.2651287), wk = 0.0023041 k( 364) = ( 0.0469484 0.0813169 0.2651287), wk = 0.0023041 k( 365) = ( 0.0422535 0.0731852 0.2651287), wk = 0.0023041 k( 366) = ( 0.0375587 0.0650536 0.2651287), wk = 0.0023041 k( 367) = ( 0.0328639 0.0569219 0.2651287), wk = 0.0023041 k( 368) = ( 0.0281690 0.0487902 0.2651287), wk = 0.0023041 k( 369) = ( 0.0234742 0.0406585 0.2651287), wk = 0.0023041 k( 370) = ( 0.0187793 0.0325268 0.2651287), wk = 0.0023041 k( 371) = ( 0.0140845 0.0243951 0.2651287), wk = 0.0023041 k( 372) = ( 0.0093897 0.0162634 0.2651287), wk = 0.0023041 k( 373) = ( 0.0046948 0.0081317 0.2651287), wk = 0.0023041 k( 374) = ( 0.0000000 0.0000000 0.2651287), wk = 0.0023041 k( 375) = ( 0.5000000 0.2886751 0.2651287), wk = 0.0023041 k( 376) = ( 0.5000000 0.2886751 0.2559863), wk = 0.0023041 k( 377) = ( 0.5000000 0.2886751 0.2468439), wk = 0.0023041 k( 378) = ( 0.5000000 0.2886751 0.2377016), wk = 0.0023041 k( 379) = ( 0.5000000 0.2886751 0.2285592), wk = 0.0023041 k( 380) = ( 0.5000000 0.2886751 0.2194168), wk = 0.0023041 k( 381) = ( 0.5000000 0.2886751 0.2102745), wk = 0.0023041 k( 382) = ( 0.5000000 0.2886751 0.2011321), wk = 0.0023041 k( 383) = ( 0.5000000 0.2886751 0.1919897), wk = 0.0023041 k( 384) = ( 0.5000000 0.2886751 0.1828474), wk = 0.0023041 k( 385) = ( 0.5000000 0.2886751 0.1737050), wk = 0.0023041 k( 386) = ( 0.5000000 0.2886751 0.1645626), wk = 0.0023041 k( 387) = ( 0.5000000 0.2886751 0.1554203), wk = 0.0023041 k( 388) = ( 0.5000000 0.2886751 0.1462779), wk = 0.0023041 k( 389) = ( 0.5000000 0.2886751 0.1371355), wk = 0.0023041 k( 390) = ( 0.5000000 0.2886751 0.1279932), wk = 0.0023041 k( 391) = ( 0.5000000 0.2886751 0.1188508), wk = 0.0023041 k( 392) = ( 0.5000000 0.2886751 0.1097084), wk = 0.0023041 k( 393) = ( 0.5000000 0.2886751 0.1005661), wk = 0.0023041 k( 394) = ( 0.5000000 0.2886751 0.0914237), wk = 0.0023041 k( 395) = ( 0.5000000 0.2886751 0.0822813), wk = 0.0023041 k( 396) = ( 0.5000000 0.2886751 0.0731389), wk = 0.0023041 k( 397) = ( 0.5000000 0.2886751 0.0639966), wk = 0.0023041 k( 398) = ( 0.5000000 0.2886751 0.0548542), wk = 0.0023041 k( 399) = ( 0.5000000 0.2886751 0.0457118), wk = 0.0023041 k( 400) = ( 0.5000000 0.2886751 0.0365695), wk = 0.0023041 k( 401) = ( 0.5000000 0.2886751 0.0274271), wk = 0.0023041 k( 402) = ( 0.5000000 0.2886751 0.0182847), wk = 0.0023041 k( 403) = ( 0.5000000 0.2886751 0.0091424), wk = 0.0023041 k( 404) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0023041 k( 405) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0023041 k( 406) = ( 0.3333333 0.5773503 0.0091424), wk = 0.0023041 k( 407) = ( 0.3333333 0.5773503 0.0182847), wk = 0.0023041 k( 408) = ( 0.3333333 0.5773503 0.0274271), wk = 0.0023041 k( 409) = ( 0.3333333 0.5773503 0.0365695), wk = 0.0023041 k( 410) = ( 0.3333333 0.5773503 0.0457118), wk = 0.0023041 k( 411) = ( 0.3333333 0.5773503 0.0548542), wk = 0.0023041 k( 412) = ( 0.3333333 0.5773503 0.0639966), wk = 0.0023041 k( 413) = ( 0.3333333 0.5773503 0.0731389), wk = 0.0023041 k( 414) = ( 0.3333333 0.5773503 0.0822813), wk = 0.0023041 k( 415) = ( 0.3333333 0.5773503 0.0914237), wk = 0.0023041 k( 416) = ( 0.3333333 0.5773503 0.1005661), wk = 0.0023041 k( 417) = ( 0.3333333 0.5773503 0.1097084), wk = 0.0023041 k( 418) = ( 0.3333333 0.5773503 0.1188508), wk = 0.0023041 k( 419) = ( 0.3333333 0.5773503 0.1279932), wk = 0.0023041 k( 420) = ( 0.3333333 0.5773503 0.1371355), wk = 0.0023041 k( 421) = ( 0.3333333 0.5773503 0.1462779), wk = 0.0023041 k( 422) = ( 0.3333333 0.5773503 0.1554203), wk = 0.0023041 k( 423) = ( 0.3333333 0.5773503 0.1645626), wk = 0.0023041 k( 424) = ( 0.3333333 0.5773503 0.1737050), wk = 0.0023041 k( 425) = ( 0.3333333 0.5773503 0.1828474), wk = 0.0023041 k( 426) = ( 0.3333333 0.5773503 0.1919897), wk = 0.0023041 k( 427) = ( 0.3333333 0.5773503 0.2011321), wk = 0.0023041 k( 428) = ( 0.3333333 0.5773503 0.2102745), wk = 0.0023041 k( 429) = ( 0.3333333 0.5773503 0.2194168), wk = 0.0023041 k( 430) = ( 0.3333333 0.5773503 0.2285592), wk = 0.0023041 k( 431) = ( 0.3333333 0.5773503 0.2377016), wk = 0.0023041 k( 432) = ( 0.3333333 0.5773503 0.2468439), wk = 0.0023041 k( 433) = ( 0.3333333 0.5773503 0.2559863), wk = 0.0023041 k( 434) = ( 0.3333333 0.5773503 0.2651287), wk = 0.0023041 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023041 k( 2) = ( 0.0080645 -0.0000000 -0.0000000), wk = 0.0023041 k( 3) = ( 0.0161290 -0.0000000 0.0000000), wk = 0.0023041 k( 4) = ( 0.0241936 -0.0000000 -0.0000000), wk = 0.0023041 k( 5) = ( 0.0322581 -0.0000000 0.0000000), wk = 0.0023041 k( 6) = ( 0.0403226 -0.0000000 -0.0000000), wk = 0.0023041 k( 7) = ( 0.0483871 -0.0000000 -0.0000000), wk = 0.0023041 k( 8) = ( 0.0564516 -0.0000000 -0.0000000), wk = 0.0023041 k( 9) = ( 0.0645161 -0.0000000 -0.0000000), wk = 0.0023041 k( 10) = ( 0.0725806 -0.0000000 0.0000000), wk = 0.0023041 k( 11) = ( 0.0806452 -0.0000000 -0.0000000), wk = 0.0023041 k( 12) = ( 0.0887097 -0.0000000 -0.0000000), wk = 0.0023041 k( 13) = ( 0.0967742 -0.0000000 -0.0000000), wk = 0.0023041 k( 14) = ( 0.1048387 -0.0000000 0.0000000), wk = 0.0023041 k( 15) = ( 0.1129032 -0.0000000 -0.0000000), wk = 0.0023041 k( 16) = ( 0.1209677 -0.0000000 -0.0000000), wk = 0.0023041 k( 17) = ( 0.1290323 -0.0000000 -0.0000000), wk = 0.0023041 k( 18) = ( 0.1370968 -0.0000000 -0.0000000), wk = 0.0023041 k( 19) = ( 0.1451613 -0.0000000 -0.0000000), wk = 0.0023041 k( 20) = ( 0.1532258 -0.0000000 -0.0000000), wk = 0.0023041 k( 21) = ( 0.1612903 -0.0000000 -0.0000000), wk = 0.0023041 k( 22) = ( 0.1693548 -0.0000000 -0.0000000), wk = 0.0023041 k( 23) = ( 0.1774194 -0.0000000 -0.0000000), wk = 0.0023041 k( 24) = ( 0.1854839 -0.0000000 0.0000000), wk = 0.0023041 k( 25) = ( 0.1935484 -0.0000000 -0.0000000), wk = 0.0023041 k( 26) = ( 0.2016129 -0.0000000 -0.0000000), wk = 0.0023041 k( 27) = ( 0.2096774 -0.0000000 0.0000000), wk = 0.0023041 k( 28) = ( 0.2177419 -0.0000000 0.0000000), wk = 0.0023041 k( 29) = ( 0.2258064 -0.0000000 -0.0000000), wk = 0.0023041 k( 30) = ( 0.2338710 -0.0000000 0.0000000), wk = 0.0023041 k( 31) = ( 0.2419355 -0.0000000 -0.0000000), wk = 0.0023041 k( 32) = ( 0.2500000 -0.0000000 -0.0000000), wk = 0.0023041 k( 33) = ( 0.2580645 -0.0000000 -0.0000000), wk = 0.0023041 k( 34) = ( 0.2661290 -0.0000000 0.0000000), wk = 0.0023041 k( 35) = ( 0.2741936 -0.0000000 -0.0000000), wk = 0.0023041 k( 36) = ( 0.2822581 -0.0000000 -0.0000000), wk = 0.0023041 k( 37) = ( 0.2903226 -0.0000000 -0.0000000), wk = 0.0023041 k( 38) = ( 0.2983871 -0.0000000 -0.0000000), wk = 0.0023041 k( 39) = ( 0.3064516 -0.0000000 -0.0000000), wk = 0.0023041 k( 40) = ( 0.3145161 -0.0000000 -0.0000000), wk = 0.0023041 k( 41) = ( 0.3225807 -0.0000000 -0.0000000), wk = 0.0023041 k( 42) = ( 0.3306452 -0.0000000 -0.0000000), wk = 0.0023041 k( 43) = ( 0.3387097 -0.0000000 -0.0000000), wk = 0.0023041 k( 44) = ( 0.3467742 -0.0000000 0.0000000), wk = 0.0023041 k( 45) = ( 0.3548387 0.0000000 0.0000000), wk = 0.0023041 k( 46) = ( 0.3629032 -0.0000000 -0.0000000), wk = 0.0023041 k( 47) = ( 0.3709677 -0.0000000 0.0000000), wk = 0.0023041 k( 48) = ( 0.3790323 -0.0000000 -0.0000000), wk = 0.0023041 k( 49) = ( 0.3870968 -0.0000000 -0.0000000), wk = 0.0023041 k( 50) = ( 0.3951613 -0.0000000 -0.0000000), wk = 0.0023041 k( 51) = ( 0.4032258 -0.0000000 -0.0000000), wk = 0.0023041 k( 52) = ( 0.4112903 -0.0000000 -0.0000000), wk = 0.0023041 k( 53) = ( 0.4193548 -0.0000000 0.0000000), wk = 0.0023041 k( 54) = ( 0.4274193 -0.0000000 -0.0000000), wk = 0.0023041 k( 55) = ( 0.4354839 -0.0000000 -0.0000000), wk = 0.0023041 k( 56) = ( 0.4435484 -0.0000000 -0.0000000), wk = 0.0023041 k( 57) = ( 0.4516129 -0.0000000 -0.0000000), wk = 0.0023041 k( 58) = ( 0.4596774 -0.0000000 -0.0000000), wk = 0.0023041 k( 59) = ( 0.4677419 -0.0000000 0.0000000), wk = 0.0023041 k( 60) = ( 0.4758064 -0.0000000 -0.0000000), wk = 0.0023041 k( 61) = ( 0.4838710 -0.0000000 -0.0000000), wk = 0.0023041 k( 62) = ( 0.4919355 -0.0000000 0.0000000), wk = 0.0023041 k( 63) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0023041 k( 64) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0023041 k( 65) = ( 0.4953704 0.0092593 0.0000000), wk = 0.0023041 k( 66) = ( 0.4907407 0.0185185 -0.0000000), wk = 0.0023041 k( 67) = ( 0.4861111 0.0277778 -0.0000000), wk = 0.0023041 k( 68) = ( 0.4814815 0.0370370 -0.0000000), wk = 0.0023041 k( 69) = ( 0.4768519 0.0462963 0.0000000), wk = 0.0023041 k( 70) = ( 0.4722222 0.0555556 0.0000000), wk = 0.0023041 k( 71) = ( 0.4675926 0.0648148 -0.0000000), wk = 0.0023041 k( 72) = ( 0.4629630 0.0740741 -0.0000000), wk = 0.0023041 k( 73) = ( 0.4583333 0.0833333 -0.0000000), wk = 0.0023041 k( 74) = ( 0.4537037 0.0925926 -0.0000000), wk = 0.0023041 k( 75) = ( 0.4490741 0.1018518 0.0000000), wk = 0.0023041 k( 76) = ( 0.4444444 0.1111111 -0.0000000), wk = 0.0023041 k( 77) = ( 0.4398148 0.1203704 -0.0000000), wk = 0.0023041 k( 78) = ( 0.4351852 0.1296296 -0.0000000), wk = 0.0023041 k( 79) = ( 0.4305556 0.1388889 0.0000000), wk = 0.0023041 k( 80) = ( 0.4259259 0.1481481 -0.0000000), wk = 0.0023041 k( 81) = ( 0.4212963 0.1574074 -0.0000000), wk = 0.0023041 k( 82) = ( 0.4166667 0.1666667 -0.0000000), wk = 0.0023041 k( 83) = ( 0.4120370 0.1759259 0.0000000), wk = 0.0023041 k( 84) = ( 0.4074074 0.1851852 0.0000000), wk = 0.0023041 k( 85) = ( 0.4027778 0.1944444 0.0000000), wk = 0.0023041 k( 86) = ( 0.3981481 0.2037037 0.0000000), wk = 0.0023041 k( 87) = ( 0.3935185 0.2129630 0.0000000), wk = 0.0023041 k( 88) = ( 0.3888889 0.2222222 -0.0000000), wk = 0.0023041 k( 89) = ( 0.3842593 0.2314815 0.0000000), wk = 0.0023041 k( 90) = ( 0.3796296 0.2407407 0.0000000), wk = 0.0023041 k( 91) = ( 0.3750000 0.2500000 -0.0000000), wk = 0.0023041 k( 92) = ( 0.3703704 0.2592593 -0.0000000), wk = 0.0023041 k( 93) = ( 0.3657407 0.2685185 0.0000000), wk = 0.0023041 k( 94) = ( 0.3611111 0.2777778 -0.0000000), wk = 0.0023041 k( 95) = ( 0.3564815 0.2870370 -0.0000000), wk = 0.0023041 k( 96) = ( 0.3518519 0.2962963 -0.0000000), wk = 0.0023041 k( 97) = ( 0.3472222 0.3055556 0.0000000), wk = 0.0023041 k( 98) = ( 0.3425926 0.3148148 0.0000000), wk = 0.0023041 k( 99) = ( 0.3379630 0.3240741 -0.0000000), wk = 0.0023041 k( 100) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0023041 k( 101) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0023041 k( 102) = ( 0.3286385 0.3286385 0.0000000), wk = 0.0023041 k( 103) = ( 0.3239437 0.3239437 -0.0000000), wk = 0.0023041 k( 104) = ( 0.3192488 0.3192488 -0.0000000), wk = 0.0023041 k( 105) = ( 0.3145540 0.3145540 0.0000000), wk = 0.0023041 k( 106) = ( 0.3098592 0.3098592 0.0000000), wk = 0.0023041 k( 107) = ( 0.3051643 0.3051643 -0.0000000), wk = 0.0023041 k( 108) = ( 0.3004695 0.3004695 -0.0000000), wk = 0.0023041 k( 109) = ( 0.2957746 0.2957746 -0.0000000), wk = 0.0023041 k( 110) = ( 0.2910798 0.2910798 -0.0000000), wk = 0.0023041 k( 111) = ( 0.2863850 0.2863850 0.0000000), wk = 0.0023041 k( 112) = ( 0.2816901 0.2816901 0.0000000), wk = 0.0023041 k( 113) = ( 0.2769953 0.2769953 -0.0000000), wk = 0.0023041 k( 114) = ( 0.2723005 0.2723005 0.0000000), wk = 0.0023041 k( 115) = ( 0.2676056 0.2676056 0.0000000), wk = 0.0023041 k( 116) = ( 0.2629108 0.2629108 -0.0000000), wk = 0.0023041 k( 117) = ( 0.2582160 0.2582160 0.0000000), wk = 0.0023041 k( 118) = ( 0.2535211 0.2535211 -0.0000000), wk = 0.0023041 k( 119) = ( 0.2488263 0.2488263 0.0000000), wk = 0.0023041 k( 120) = ( 0.2441315 0.2441315 -0.0000000), wk = 0.0023041 k( 121) = ( 0.2394366 0.2394366 0.0000000), wk = 0.0023041 k( 122) = ( 0.2347418 0.2347418 0.0000000), wk = 0.0023041 k( 123) = ( 0.2300470 0.2300470 -0.0000000), wk = 0.0023041 k( 124) = ( 0.2253521 0.2253521 -0.0000000), wk = 0.0023041 k( 125) = ( 0.2206573 0.2206573 0.0000000), wk = 0.0023041 k( 126) = ( 0.2159624 0.2159624 0.0000000), wk = 0.0023041 k( 127) = ( 0.2112676 0.2112676 0.0000000), wk = 0.0023041 k( 128) = ( 0.2065728 0.2065728 0.0000000), wk = 0.0023041 k( 129) = ( 0.2018779 0.2018779 -0.0000000), wk = 0.0023041 k( 130) = ( 0.1971831 0.1971831 0.0000000), wk = 0.0023041 k( 131) = ( 0.1924883 0.1924883 -0.0000000), wk = 0.0023041 k( 132) = ( 0.1877934 0.1877934 0.0000000), wk = 0.0023041 k( 133) = ( 0.1830986 0.1830986 0.0000000), wk = 0.0023041 k( 134) = ( 0.1784038 0.1784038 0.0000000), wk = 0.0023041 k( 135) = ( 0.1737089 0.1737089 0.0000000), wk = 0.0023041 k( 136) = ( 0.1690141 0.1690141 0.0000000), wk = 0.0023041 k( 137) = ( 0.1643193 0.1643192 0.0000000), wk = 0.0023041 k( 138) = ( 0.1596244 0.1596244 0.0000000), wk = 0.0023041 k( 139) = ( 0.1549296 0.1549296 -0.0000000), wk = 0.0023041 k( 140) = ( 0.1502347 0.1502347 -0.0000000), wk = 0.0023041 k( 141) = ( 0.1455399 0.1455399 -0.0000000), wk = 0.0023041 k( 142) = ( 0.1408451 0.1408451 0.0000000), wk = 0.0023041 k( 143) = ( 0.1361502 0.1361502 -0.0000000), wk = 0.0023041 k( 144) = ( 0.1314554 0.1314554 -0.0000000), wk = 0.0023041 k( 145) = ( 0.1267606 0.1267606 -0.0000000), wk = 0.0023041 k( 146) = ( 0.1220657 0.1220657 -0.0000000), wk = 0.0023041 k( 147) = ( 0.1173709 0.1173709 0.0000000), wk = 0.0023041 k( 148) = ( 0.1126761 0.1126761 0.0000000), wk = 0.0023041 k( 149) = ( 0.1079812 0.1079812 0.0000000), wk = 0.0023041 k( 150) = ( 0.1032864 0.1032864 -0.0000000), wk = 0.0023041 k( 151) = ( 0.0985916 0.0985915 0.0000000), wk = 0.0023041 k( 152) = ( 0.0938967 0.0938967 0.0000000), wk = 0.0023041 k( 153) = ( 0.0892019 0.0892019 0.0000000), wk = 0.0023041 k( 154) = ( 0.0845070 0.0845070 0.0000000), wk = 0.0023041 k( 155) = ( 0.0798122 0.0798122 -0.0000000), wk = 0.0023041 k( 156) = ( 0.0751174 0.0751174 -0.0000000), wk = 0.0023041 k( 157) = ( 0.0704225 0.0704225 -0.0000000), wk = 0.0023041 k( 158) = ( 0.0657277 0.0657277 -0.0000000), wk = 0.0023041 k( 159) = ( 0.0610329 0.0610329 0.0000000), wk = 0.0023041 k( 160) = ( 0.0563380 0.0563380 0.0000000), wk = 0.0023041 k( 161) = ( 0.0516432 0.0516432 -0.0000000), wk = 0.0023041 k( 162) = ( 0.0469484 0.0469484 -0.0000000), wk = 0.0023041 k( 163) = ( 0.0422535 0.0422535 0.0000000), wk = 0.0023041 k( 164) = ( 0.0375587 0.0375587 0.0000000), wk = 0.0023041 k( 165) = ( 0.0328639 0.0328639 -0.0000000), wk = 0.0023041 k( 166) = ( 0.0281690 0.0281690 0.0000000), wk = 0.0023041 k( 167) = ( 0.0234742 0.0234742 -0.0000000), wk = 0.0023041 k( 168) = ( 0.0187793 0.0187793 -0.0000000), wk = 0.0023041 k( 169) = ( 0.0140845 0.0140845 0.0000000), wk = 0.0023041 k( 170) = ( 0.0093897 0.0093897 -0.0000000), wk = 0.0023041 k( 171) = ( 0.0046948 0.0046948 -0.0000000), wk = 0.0023041 k( 172) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023041 k( 173) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023041 k( 174) = ( 0.0000000 0.0000000 0.0172414), wk = 0.0023041 k( 175) = ( 0.0000000 0.0000000 0.0344828), wk = 0.0023041 k( 176) = ( 0.0000000 0.0000000 0.0517241), wk = 0.0023041 k( 177) = ( 0.0000000 0.0000000 0.0689655), wk = 0.0023041 k( 178) = ( 0.0000000 0.0000000 0.0862069), wk = 0.0023041 k( 179) = ( 0.0000000 0.0000000 0.1034483), wk = 0.0023041 k( 180) = ( 0.0000000 0.0000000 0.1206897), wk = 0.0023041 k( 181) = ( 0.0000000 0.0000000 0.1379310), wk = 0.0023041 k( 182) = ( 0.0000000 0.0000000 0.1551724), wk = 0.0023041 k( 183) = ( 0.0000000 0.0000000 0.1724138), wk = 0.0023041 k( 184) = ( 0.0000000 0.0000000 0.1896552), wk = 0.0023041 k( 185) = ( 0.0000000 0.0000000 0.2068965), wk = 0.0023041 k( 186) = ( 0.0000000 0.0000000 0.2241379), wk = 0.0023041 k( 187) = ( 0.0000000 0.0000000 0.2413793), wk = 0.0023041 k( 188) = ( 0.0000000 0.0000000 0.2586207), wk = 0.0023041 k( 189) = ( 0.0000000 0.0000000 0.2758621), wk = 0.0023041 k( 190) = ( 0.0000000 0.0000000 0.2931034), wk = 0.0023041 k( 191) = ( 0.0000000 0.0000000 0.3103448), wk = 0.0023041 k( 192) = ( 0.0000000 0.0000000 0.3275862), wk = 0.0023041 k( 193) = ( 0.0000000 0.0000000 0.3448276), wk = 0.0023041 k( 194) = ( 0.0000000 0.0000000 0.3620690), wk = 0.0023041 k( 195) = ( 0.0000000 0.0000000 0.3793103), wk = 0.0023041 k( 196) = ( 0.0000000 0.0000000 0.3965517), wk = 0.0023041 k( 197) = ( 0.0000000 0.0000000 0.4137931), wk = 0.0023041 k( 198) = ( 0.0000000 0.0000000 0.4310345), wk = 0.0023041 k( 199) = ( 0.0000000 0.0000000 0.4482759), wk = 0.0023041 k( 200) = ( 0.0000000 0.0000000 0.4655172), wk = 0.0023041 k( 201) = ( 0.0000000 0.0000000 0.4827586), wk = 0.0023041 k( 202) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0023041 k( 203) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0023041 k( 204) = ( 0.0080645 -0.0000000 0.5000000), wk = 0.0023041 k( 205) = ( 0.0161290 -0.0000000 0.5000000), wk = 0.0023041 k( 206) = ( 0.0241936 -0.0000000 0.5000000), wk = 0.0023041 k( 207) = ( 0.0322581 -0.0000000 0.5000000), wk = 0.0023041 k( 208) = ( 0.0403226 -0.0000000 0.5000000), wk = 0.0023041 k( 209) = ( 0.0483871 -0.0000000 0.5000000), wk = 0.0023041 k( 210) = ( 0.0564516 -0.0000000 0.5000000), wk = 0.0023041 k( 211) = ( 0.0645161 -0.0000000 0.5000000), wk = 0.0023041 k( 212) = ( 0.0725806 -0.0000000 0.5000000), wk = 0.0023041 k( 213) = ( 0.0806452 -0.0000000 0.5000000), wk = 0.0023041 k( 214) = ( 0.0887097 -0.0000000 0.5000000), wk = 0.0023041 k( 215) = ( 0.0967742 -0.0000000 0.5000000), wk = 0.0023041 k( 216) = ( 0.1048387 -0.0000000 0.5000000), wk = 0.0023041 k( 217) = ( 0.1129032 -0.0000000 0.5000000), wk = 0.0023041 k( 218) = ( 0.1209677 -0.0000000 0.5000000), wk = 0.0023041 k( 219) = ( 0.1290323 -0.0000000 0.5000000), wk = 0.0023041 k( 220) = ( 0.1370968 -0.0000000 0.5000000), wk = 0.0023041 k( 221) = ( 0.1451613 -0.0000000 0.5000000), wk = 0.0023041 k( 222) = ( 0.1532258 -0.0000000 0.5000000), wk = 0.0023041 k( 223) = ( 0.1612903 -0.0000000 0.5000000), wk = 0.0023041 k( 224) = ( 0.1693548 -0.0000000 0.5000000), wk = 0.0023041 k( 225) = ( 0.1774194 -0.0000000 0.5000000), wk = 0.0023041 k( 226) = ( 0.1854839 -0.0000000 0.5000000), wk = 0.0023041 k( 227) = ( 0.1935484 -0.0000000 0.5000000), wk = 0.0023041 k( 228) = ( 0.2016129 -0.0000000 0.5000000), wk = 0.0023041 k( 229) = ( 0.2096774 -0.0000000 0.5000000), wk = 0.0023041 k( 230) = ( 0.2177419 -0.0000000 0.5000000), wk = 0.0023041 k( 231) = ( 0.2258064 -0.0000000 0.5000000), wk = 0.0023041 k( 232) = ( 0.2338710 -0.0000000 0.5000000), wk = 0.0023041 k( 233) = ( 0.2419355 -0.0000000 0.5000000), wk = 0.0023041 k( 234) = ( 0.2500000 -0.0000000 0.5000000), wk = 0.0023041 k( 235) = ( 0.2580645 -0.0000000 0.5000000), wk = 0.0023041 k( 236) = ( 0.2661290 -0.0000000 0.5000000), wk = 0.0023041 k( 237) = ( 0.2741936 -0.0000000 0.5000000), wk = 0.0023041 k( 238) = ( 0.2822581 -0.0000000 0.5000000), wk = 0.0023041 k( 239) = ( 0.2903226 -0.0000000 0.5000000), wk = 0.0023041 k( 240) = ( 0.2983871 -0.0000000 0.5000000), wk = 0.0023041 k( 241) = ( 0.3064516 -0.0000000 0.5000000), wk = 0.0023041 k( 242) = ( 0.3145161 -0.0000000 0.5000000), wk = 0.0023041 k( 243) = ( 0.3225807 -0.0000000 0.5000000), wk = 0.0023041 k( 244) = ( 0.3306452 -0.0000000 0.5000000), wk = 0.0023041 k( 245) = ( 0.3387097 -0.0000000 0.5000000), wk = 0.0023041 k( 246) = ( 0.3467742 -0.0000000 0.5000000), wk = 0.0023041 k( 247) = ( 0.3548387 0.0000000 0.5000000), wk = 0.0023041 k( 248) = ( 0.3629032 -0.0000000 0.5000000), wk = 0.0023041 k( 249) = ( 0.3709677 -0.0000000 0.5000000), wk = 0.0023041 k( 250) = ( 0.3790323 -0.0000000 0.5000000), wk = 0.0023041 k( 251) = ( 0.3870968 -0.0000000 0.5000000), wk = 0.0023041 k( 252) = ( 0.3951613 -0.0000000 0.5000000), wk = 0.0023041 k( 253) = ( 0.4032258 -0.0000000 0.5000000), wk = 0.0023041 k( 254) = ( 0.4112903 -0.0000000 0.5000000), wk = 0.0023041 k( 255) = ( 0.4193548 -0.0000000 0.5000000), wk = 0.0023041 k( 256) = ( 0.4274193 -0.0000000 0.5000000), wk = 0.0023041 k( 257) = ( 0.4354839 -0.0000000 0.5000000), wk = 0.0023041 k( 258) = ( 0.4435484 -0.0000000 0.5000000), wk = 0.0023041 k( 259) = ( 0.4516129 -0.0000000 0.5000000), wk = 0.0023041 k( 260) = ( 0.4596774 -0.0000000 0.5000000), wk = 0.0023041 k( 261) = ( 0.4677419 -0.0000000 0.5000000), wk = 0.0023041 k( 262) = ( 0.4758064 -0.0000000 0.5000000), wk = 0.0023041 k( 263) = ( 0.4838710 -0.0000000 0.5000000), wk = 0.0023041 k( 264) = ( 0.4919355 -0.0000000 0.5000000), wk = 0.0023041 k( 265) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0023041 k( 266) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0023041 k( 267) = ( 0.4953704 0.0092593 0.5000000), wk = 0.0023041 k( 268) = ( 0.4907407 0.0185185 0.5000000), wk = 0.0023041 k( 269) = ( 0.4861111 0.0277778 0.5000000), wk = 0.0023041 k( 270) = ( 0.4814815 0.0370370 0.5000000), wk = 0.0023041 k( 271) = ( 0.4768519 0.0462963 0.5000000), wk = 0.0023041 k( 272) = ( 0.4722222 0.0555556 0.5000000), wk = 0.0023041 k( 273) = ( 0.4675926 0.0648148 0.5000000), wk = 0.0023041 k( 274) = ( 0.4629630 0.0740741 0.5000000), wk = 0.0023041 k( 275) = ( 0.4583333 0.0833333 0.5000000), wk = 0.0023041 k( 276) = ( 0.4537037 0.0925926 0.5000000), wk = 0.0023041 k( 277) = ( 0.4490741 0.1018518 0.5000000), wk = 0.0023041 k( 278) = ( 0.4444444 0.1111111 0.5000000), wk = 0.0023041 k( 279) = ( 0.4398148 0.1203704 0.5000000), wk = 0.0023041 k( 280) = ( 0.4351852 0.1296296 0.5000000), wk = 0.0023041 k( 281) = ( 0.4305556 0.1388889 0.5000000), wk = 0.0023041 k( 282) = ( 0.4259259 0.1481481 0.5000000), wk = 0.0023041 k( 283) = ( 0.4212963 0.1574074 0.5000000), wk = 0.0023041 k( 284) = ( 0.4166667 0.1666667 0.5000000), wk = 0.0023041 k( 285) = ( 0.4120370 0.1759259 0.5000000), wk = 0.0023041 k( 286) = ( 0.4074074 0.1851852 0.5000000), wk = 0.0023041 k( 287) = ( 0.4027778 0.1944444 0.5000000), wk = 0.0023041 k( 288) = ( 0.3981481 0.2037037 0.5000000), wk = 0.0023041 k( 289) = ( 0.3935185 0.2129630 0.5000000), wk = 0.0023041 k( 290) = ( 0.3888889 0.2222222 0.5000000), wk = 0.0023041 k( 291) = ( 0.3842593 0.2314815 0.5000000), wk = 0.0023041 k( 292) = ( 0.3796296 0.2407407 0.5000000), wk = 0.0023041 k( 293) = ( 0.3750000 0.2500000 0.5000000), wk = 0.0023041 k( 294) = ( 0.3703704 0.2592593 0.5000000), wk = 0.0023041 k( 295) = ( 0.3657407 0.2685185 0.5000000), wk = 0.0023041 k( 296) = ( 0.3611111 0.2777778 0.5000000), wk = 0.0023041 k( 297) = ( 0.3564815 0.2870370 0.5000000), wk = 0.0023041 k( 298) = ( 0.3518519 0.2962963 0.5000000), wk = 0.0023041 k( 299) = ( 0.3472222 0.3055556 0.5000000), wk = 0.0023041 k( 300) = ( 0.3425926 0.3148148 0.5000000), wk = 0.0023041 k( 301) = ( 0.3379630 0.3240741 0.5000000), wk = 0.0023041 k( 302) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0023041 k( 303) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0023041 k( 304) = ( 0.3286385 0.3286385 0.5000000), wk = 0.0023041 k( 305) = ( 0.3239437 0.3239437 0.5000000), wk = 0.0023041 k( 306) = ( 0.3192488 0.3192488 0.5000000), wk = 0.0023041 k( 307) = ( 0.3145540 0.3145540 0.5000000), wk = 0.0023041 k( 308) = ( 0.3098592 0.3098592 0.5000000), wk = 0.0023041 k( 309) = ( 0.3051643 0.3051643 0.5000000), wk = 0.0023041 k( 310) = ( 0.3004695 0.3004695 0.5000000), wk = 0.0023041 k( 311) = ( 0.2957746 0.2957746 0.5000000), wk = 0.0023041 k( 312) = ( 0.2910798 0.2910798 0.5000000), wk = 0.0023041 k( 313) = ( 0.2863850 0.2863850 0.5000000), wk = 0.0023041 k( 314) = ( 0.2816901 0.2816901 0.5000000), wk = 0.0023041 k( 315) = ( 0.2769953 0.2769953 0.5000000), wk = 0.0023041 k( 316) = ( 0.2723005 0.2723005 0.5000000), wk = 0.0023041 k( 317) = ( 0.2676056 0.2676056 0.5000000), wk = 0.0023041 k( 318) = ( 0.2629108 0.2629108 0.5000000), wk = 0.0023041 k( 319) = ( 0.2582160 0.2582160 0.5000000), wk = 0.0023041 k( 320) = ( 0.2535211 0.2535211 0.5000000), wk = 0.0023041 k( 321) = ( 0.2488263 0.2488263 0.5000000), wk = 0.0023041 k( 322) = ( 0.2441315 0.2441315 0.5000000), wk = 0.0023041 k( 323) = ( 0.2394366 0.2394366 0.5000000), wk = 0.0023041 k( 324) = ( 0.2347418 0.2347418 0.5000000), wk = 0.0023041 k( 325) = ( 0.2300470 0.2300470 0.5000000), wk = 0.0023041 k( 326) = ( 0.2253521 0.2253521 0.5000000), wk = 0.0023041 k( 327) = ( 0.2206573 0.2206573 0.5000000), wk = 0.0023041 k( 328) = ( 0.2159624 0.2159624 0.5000000), wk = 0.0023041 k( 329) = ( 0.2112676 0.2112676 0.5000000), wk = 0.0023041 k( 330) = ( 0.2065728 0.2065728 0.5000000), wk = 0.0023041 k( 331) = ( 0.2018779 0.2018779 0.5000000), wk = 0.0023041 k( 332) = ( 0.1971831 0.1971831 0.5000000), wk = 0.0023041 k( 333) = ( 0.1924883 0.1924883 0.5000000), wk = 0.0023041 k( 334) = ( 0.1877934 0.1877934 0.5000000), wk = 0.0023041 k( 335) = ( 0.1830986 0.1830986 0.5000000), wk = 0.0023041 k( 336) = ( 0.1784038 0.1784038 0.5000000), wk = 0.0023041 k( 337) = ( 0.1737089 0.1737089 0.5000000), wk = 0.0023041 k( 338) = ( 0.1690141 0.1690141 0.5000000), wk = 0.0023041 k( 339) = ( 0.1643193 0.1643192 0.5000000), wk = 0.0023041 k( 340) = ( 0.1596244 0.1596244 0.5000000), wk = 0.0023041 k( 341) = ( 0.1549296 0.1549296 0.5000000), wk = 0.0023041 k( 342) = ( 0.1502347 0.1502347 0.5000000), wk = 0.0023041 k( 343) = ( 0.1455399 0.1455399 0.5000000), wk = 0.0023041 k( 344) = ( 0.1408451 0.1408451 0.5000000), wk = 0.0023041 k( 345) = ( 0.1361502 0.1361502 0.5000000), wk = 0.0023041 k( 346) = ( 0.1314554 0.1314554 0.5000000), wk = 0.0023041 k( 347) = ( 0.1267606 0.1267606 0.5000000), wk = 0.0023041 k( 348) = ( 0.1220657 0.1220657 0.5000000), wk = 0.0023041 k( 349) = ( 0.1173709 0.1173709 0.5000000), wk = 0.0023041 k( 350) = ( 0.1126761 0.1126761 0.5000000), wk = 0.0023041 k( 351) = ( 0.1079812 0.1079812 0.5000000), wk = 0.0023041 k( 352) = ( 0.1032864 0.1032864 0.5000000), wk = 0.0023041 k( 353) = ( 0.0985916 0.0985915 0.5000000), wk = 0.0023041 k( 354) = ( 0.0938967 0.0938967 0.5000000), wk = 0.0023041 k( 355) = ( 0.0892019 0.0892019 0.5000000), wk = 0.0023041 k( 356) = ( 0.0845070 0.0845070 0.5000000), wk = 0.0023041 k( 357) = ( 0.0798122 0.0798122 0.5000000), wk = 0.0023041 k( 358) = ( 0.0751174 0.0751174 0.5000000), wk = 0.0023041 k( 359) = ( 0.0704225 0.0704225 0.5000000), wk = 0.0023041 k( 360) = ( 0.0657277 0.0657277 0.5000000), wk = 0.0023041 k( 361) = ( 0.0610329 0.0610329 0.5000000), wk = 0.0023041 k( 362) = ( 0.0563380 0.0563380 0.5000000), wk = 0.0023041 k( 363) = ( 0.0516432 0.0516432 0.5000000), wk = 0.0023041 k( 364) = ( 0.0469484 0.0469484 0.5000000), wk = 0.0023041 k( 365) = ( 0.0422535 0.0422535 0.5000000), wk = 0.0023041 k( 366) = ( 0.0375587 0.0375587 0.5000000), wk = 0.0023041 k( 367) = ( 0.0328639 0.0328639 0.5000000), wk = 0.0023041 k( 368) = ( 0.0281690 0.0281690 0.5000000), wk = 0.0023041 k( 369) = ( 0.0234742 0.0234742 0.5000000), wk = 0.0023041 k( 370) = ( 0.0187793 0.0187793 0.5000000), wk = 0.0023041 k( 371) = ( 0.0140845 0.0140845 0.5000000), wk = 0.0023041 k( 372) = ( 0.0093897 0.0093897 0.5000000), wk = 0.0023041 k( 373) = ( 0.0046948 0.0046948 0.5000000), wk = 0.0023041 k( 374) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0023041 k( 375) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0023041 k( 376) = ( 0.5000000 -0.0000000 0.4827586), wk = 0.0023041 k( 377) = ( 0.5000000 -0.0000000 0.4655172), wk = 0.0023041 k( 378) = ( 0.5000000 -0.0000000 0.4482759), wk = 0.0023041 k( 379) = ( 0.5000000 -0.0000000 0.4310345), wk = 0.0023041 k( 380) = ( 0.5000000 -0.0000000 0.4137931), wk = 0.0023041 k( 381) = ( 0.5000000 -0.0000000 0.3965517), wk = 0.0023041 k( 382) = ( 0.5000000 -0.0000000 0.3793103), wk = 0.0023041 k( 383) = ( 0.5000000 -0.0000000 0.3620690), wk = 0.0023041 k( 384) = ( 0.5000000 -0.0000000 0.3448276), wk = 0.0023041 k( 385) = ( 0.5000000 -0.0000000 0.3275862), wk = 0.0023041 k( 386) = ( 0.5000000 -0.0000000 0.3103448), wk = 0.0023041 k( 387) = ( 0.5000000 -0.0000000 0.2931034), wk = 0.0023041 k( 388) = ( 0.5000000 -0.0000000 0.2758621), wk = 0.0023041 k( 389) = ( 0.5000000 -0.0000000 0.2586207), wk = 0.0023041 k( 390) = ( 0.5000000 -0.0000000 0.2413793), wk = 0.0023041 k( 391) = ( 0.5000000 -0.0000000 0.2241379), wk = 0.0023041 k( 392) = ( 0.5000000 -0.0000000 0.2068965), wk = 0.0023041 k( 393) = ( 0.5000000 -0.0000000 0.1896552), wk = 0.0023041 k( 394) = ( 0.5000000 -0.0000000 0.1724138), wk = 0.0023041 k( 395) = ( 0.5000000 -0.0000000 0.1551724), wk = 0.0023041 k( 396) = ( 0.5000000 -0.0000000 0.1379310), wk = 0.0023041 k( 397) = ( 0.5000000 -0.0000000 0.1206897), wk = 0.0023041 k( 398) = ( 0.5000000 -0.0000000 0.1034483), wk = 0.0023041 k( 399) = ( 0.5000000 -0.0000000 0.0862069), wk = 0.0023041 k( 400) = ( 0.5000000 -0.0000000 0.0689655), wk = 0.0023041 k( 401) = ( 0.5000000 -0.0000000 0.0517241), wk = 0.0023041 k( 402) = ( 0.5000000 -0.0000000 0.0344828), wk = 0.0023041 k( 403) = ( 0.5000000 -0.0000000 0.0172414), wk = 0.0023041 k( 404) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0023041 k( 405) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0023041 k( 406) = ( 0.3333333 0.3333333 0.0172414), wk = 0.0023041 k( 407) = ( 0.3333333 0.3333333 0.0344828), wk = 0.0023041 k( 408) = ( 0.3333333 0.3333333 0.0517241), wk = 0.0023041 k( 409) = ( 0.3333333 0.3333333 0.0689655), wk = 0.0023041 k( 410) = ( 0.3333333 0.3333333 0.0862069), wk = 0.0023041 k( 411) = ( 0.3333333 0.3333333 0.1034483), wk = 0.0023041 k( 412) = ( 0.3333333 0.3333333 0.1206897), wk = 0.0023041 k( 413) = ( 0.3333333 0.3333333 0.1379310), wk = 0.0023041 k( 414) = ( 0.3333333 0.3333333 0.1551724), wk = 0.0023041 k( 415) = ( 0.3333333 0.3333333 0.1724138), wk = 0.0023041 k( 416) = ( 0.3333333 0.3333333 0.1896552), wk = 0.0023041 k( 417) = ( 0.3333333 0.3333333 0.2068965), wk = 0.0023041 k( 418) = ( 0.3333333 0.3333333 0.2241379), wk = 0.0023041 k( 419) = ( 0.3333333 0.3333333 0.2413793), wk = 0.0023041 k( 420) = ( 0.3333333 0.3333333 0.2586207), wk = 0.0023041 k( 421) = ( 0.3333333 0.3333333 0.2758621), wk = 0.0023041 k( 422) = ( 0.3333333 0.3333333 0.2931034), wk = 0.0023041 k( 423) = ( 0.3333333 0.3333333 0.3103448), wk = 0.0023041 k( 424) = ( 0.3333333 0.3333333 0.3275862), wk = 0.0023041 k( 425) = ( 0.3333333 0.3333333 0.3448276), wk = 0.0023041 k( 426) = ( 0.3333333 0.3333333 0.3620690), wk = 0.0023041 k( 427) = ( 0.3333333 0.3333333 0.3793103), wk = 0.0023041 k( 428) = ( 0.3333333 0.3333333 0.3965517), wk = 0.0023041 k( 429) = ( 0.3333333 0.3333333 0.4137931), wk = 0.0023041 k( 430) = ( 0.3333333 0.3333333 0.4310345), wk = 0.0023041 k( 431) = ( 0.3333333 0.3333333 0.4482759), wk = 0.0023041 k( 432) = ( 0.3333333 0.3333333 0.4655172), wk = 0.0023041 k( 433) = ( 0.3333333 0.3333333 0.4827586), wk = 0.0023041 k( 434) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0023041 Dense grid: 78985 G-vectors FFT dimensions: ( 45, 45, 90) Smooth grid: 9077 G-vectors FFT dimensions: ( 24, 24, 45) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.04 Mb ( 72, 32) NL pseudopotentials 0.04 Mb ( 36, 68) Each V/rho on FFT grid 0.09 Mb ( 6075) Each G-vector array 0.02 Mb ( 2197) G-vector shells 0.01 Mb ( 1039) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.14 Mb ( 72, 128) Each subspace H/S matrix 0.02 Mb ( 32, 32) Each matrix 0.07 Mb ( 68, 2, 32) The potential is recalculated from file : ./Cd.save/charge-density.dat Starting wfc are 36 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.4 secs Computing kpt #: 2 total cpu time spent up to now is 2.7 secs Computing kpt #: 3 total cpu time spent up to now is 3.0 secs Computing kpt #: 4 total cpu time spent up to now is 3.2 secs Computing kpt #: 5 total cpu time spent up to now is 3.5 secs Computing kpt #: 6 total cpu time spent up to now is 3.8 secs Computing kpt #: 7 total cpu time spent up to now is 4.1 secs Computing kpt #: 8 total cpu time spent up to now is 4.3 secs Computing kpt #: 9 total cpu time spent up to now is 4.5 secs Computing kpt #: 10 total cpu time spent up to now is 4.7 secs Computing kpt #: 11 total cpu time spent up to now is 4.9 secs Computing kpt #: 12 total cpu time spent up to now is 5.1 secs Computing kpt #: 13 total cpu time spent up to now is 5.3 secs Computing kpt #: 14 total cpu time spent up to now is 5.5 secs Computing kpt #: 15 total cpu time spent up to now is 5.6 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 6.0 secs Computing kpt #: 18 total cpu time spent up to now is 6.1 secs Computing kpt #: 19 total cpu time spent up to now is 6.3 secs Computing kpt #: 20 total cpu time spent up to now is 6.5 secs Computing kpt #: 21 total cpu time spent up to now is 6.6 secs Computing kpt #: 22 total cpu time spent up to now is 6.8 secs Computing kpt #: 23 total cpu time spent up to now is 7.0 secs Computing kpt #: 24 total cpu time spent up to now is 7.2 secs Computing kpt #: 25 total cpu time spent up to now is 7.3 secs Computing kpt #: 26 total cpu time spent up to now is 7.5 secs Computing kpt #: 27 total cpu time spent up to now is 7.7 secs Computing kpt #: 28 total cpu time spent up to now is 7.9 secs Computing kpt #: 29 total cpu time spent up to now is 8.1 secs Computing kpt #: 30 total cpu time spent up to now is 8.3 secs Computing kpt #: 31 total cpu time spent up to now is 8.5 secs Computing kpt #: 32 total cpu time spent up to now is 8.7 secs Computing kpt #: 33 total cpu time spent up to now is 8.9 secs Computing kpt #: 34 total cpu time spent up to now is 9.3 secs Computing kpt #: 35 total cpu time spent up to now is 9.5 secs Computing kpt #: 36 total cpu time spent up to now is 9.7 secs Computing kpt #: 37 total cpu time spent up to now is 9.9 secs Computing kpt #: 38 total cpu time spent up to now is 10.1 secs Computing kpt #: 39 total cpu time spent up to now is 10.3 secs Computing kpt #: 40 total cpu time spent up to now is 10.5 secs Computing kpt #: 41 total cpu time spent up to now is 10.7 secs Computing kpt #: 42 total cpu time spent up to now is 10.9 secs Computing kpt #: 43 total cpu time spent up to now is 11.1 secs Computing kpt #: 44 total cpu time spent up to now is 11.3 secs Computing kpt #: 45 total cpu time spent up to now is 11.5 secs Computing kpt #: 46 total cpu time spent up to now is 11.6 secs Computing kpt #: 47 total cpu time spent up to now is 11.8 secs Computing kpt #: 48 total cpu time spent up to now is 12.0 secs Computing kpt #: 49 total cpu time spent up to now is 12.2 secs Computing kpt #: 50 total cpu time spent up to now is 12.3 secs Computing kpt #: 51 total cpu time spent up to now is 12.5 secs Computing kpt #: 52 total cpu time spent up to now is 12.6 secs Computing kpt #: 53 total cpu time spent up to now is 12.8 secs Computing kpt #: 54 total cpu time spent up to now is 12.9 secs Computing kpt #: 55 total cpu time spent up to now is 13.1 secs Computing kpt #: 56 total cpu time spent up to now is 13.2 secs Computing kpt #: 57 total cpu time spent up to now is 13.4 secs Computing kpt #: 58 total cpu time spent up to now is 13.5 secs Computing kpt #: 59 total cpu time spent up to now is 13.6 secs Computing kpt #: 60 total cpu time spent up to now is 13.8 secs Computing kpt #: 61 total cpu time spent up to now is 13.9 secs Computing kpt #: 62 total cpu time spent up to now is 14.0 secs Computing kpt #: 63 total cpu time spent up to now is 14.2 secs Computing kpt #: 64 total cpu time spent up to now is 14.3 secs Computing kpt #: 65 total cpu time spent up to now is 14.5 secs Computing kpt #: 66 total cpu time spent up to now is 14.6 secs Computing kpt #: 67 total cpu time spent up to now is 14.7 secs Computing kpt #: 68 total cpu time spent up to now is 14.9 secs Computing kpt #: 69 total cpu time spent up to now is 15.0 secs Computing kpt #: 70 total cpu time spent up to now is 15.2 secs Computing kpt #: 71 total cpu time spent up to now is 15.3 secs Computing kpt #: 72 total cpu time spent up to now is 15.5 secs Computing kpt #: 73 total cpu time spent up to now is 15.6 secs Computing kpt #: 74 total cpu time spent up to now is 15.8 secs Computing kpt #: 75 total cpu time spent up to now is 15.9 secs Computing kpt #: 76 total cpu time spent up to now is 16.1 secs Computing kpt #: 77 total cpu time spent up to now is 16.3 secs Computing kpt #: 78 total cpu time spent up to now is 16.5 secs Computing kpt #: 79 total cpu time spent up to now is 16.7 secs Computing kpt #: 80 total cpu time spent up to now is 16.9 secs Computing kpt #: 81 total cpu time spent up to now is 17.0 secs Computing kpt #: 82 total cpu time spent up to now is 17.2 secs Computing kpt #: 83 total cpu time spent up to now is 17.3 secs Computing kpt #: 84 total cpu time spent up to now is 17.4 secs Computing kpt #: 85 total cpu time spent up to now is 17.6 secs Computing kpt #: 86 total cpu time spent up to now is 17.7 secs Computing kpt #: 87 total cpu time spent up to now is 17.9 secs Computing kpt #: 88 total cpu time spent up to now is 18.0 secs Computing kpt #: 89 total cpu time spent up to now is 18.1 secs Computing kpt #: 90 total cpu time spent up to now is 18.3 secs Computing kpt #: 91 total cpu time spent up to now is 18.4 secs Computing kpt #: 92 total cpu time spent up to now is 18.6 secs Computing kpt #: 93 total cpu time spent up to now is 18.7 secs Computing kpt #: 94 total cpu time spent up to now is 18.9 secs Computing kpt #: 95 total cpu time spent up to now is 19.0 secs Computing kpt #: 96 total cpu time spent up to now is 19.2 secs Computing kpt #: 97 total cpu time spent up to now is 19.3 secs Computing kpt #: 98 total cpu time spent up to now is 19.5 secs Computing kpt #: 99 total cpu time spent up to now is 19.7 secs Computing kpt #: 100 total cpu time spent up to now is 19.8 secs Computing kpt #: 101 total cpu time spent up to now is 20.0 secs Computing kpt #: 102 total cpu time spent up to now is 20.1 secs Computing kpt #: 103 total cpu time spent up to now is 20.3 secs Computing kpt #: 104 total cpu time spent up to now is 20.5 secs Computing kpt #: 105 total cpu time spent up to now is 20.6 secs Computing kpt #: 106 total cpu time spent up to now is 20.8 secs Computing kpt #: 107 total cpu time spent up to now is 21.0 secs Computing kpt #: 108 total cpu time spent up to now is 21.1 secs Computing kpt #: 109 total cpu time spent up to now is 21.3 secs Computing kpt #: 110 total cpu time spent up to now is 21.5 secs Computing kpt #: 111 total cpu time spent up to now is 21.7 secs Computing kpt #: 112 total cpu time spent up to now is 21.8 secs Computing kpt #: 113 total cpu time spent up to now is 22.0 secs Computing kpt #: 114 total cpu time spent up to now is 22.2 secs Computing kpt #: 115 total cpu time spent up to now is 22.4 secs Computing kpt #: 116 total cpu time spent up to now is 22.5 secs Computing kpt #: 117 total cpu time spent up to now is 22.7 secs Computing kpt #: 118 total cpu time spent up to now is 22.9 secs Computing kpt #: 119 total cpu time spent up to now is 23.1 secs Computing kpt #: 120 total cpu time spent up to now is 23.2 secs Computing kpt #: 121 total cpu time spent up to now is 23.4 secs Computing kpt #: 122 total cpu time spent up to now is 23.6 secs Computing kpt #: 123 total cpu time spent up to now is 23.8 secs Computing kpt #: 124 total cpu time spent up to now is 24.0 secs Computing kpt #: 125 total cpu time spent up to now is 24.2 secs Computing kpt #: 126 total cpu time spent up to now is 24.4 secs Computing kpt #: 127 total cpu time spent up to now is 24.5 secs Computing kpt #: 128 total cpu time spent up to now is 24.7 secs Computing kpt #: 129 total cpu time spent up to now is 24.9 secs Computing kpt #: 130 total cpu time spent up to now is 25.1 secs Computing kpt #: 131 total cpu time spent up to now is 25.3 secs Computing kpt #: 132 total cpu time spent up to now is 25.5 secs Computing kpt #: 133 total cpu time spent up to now is 25.7 secs Computing kpt #: 134 total cpu time spent up to now is 25.9 secs Computing kpt #: 135 total cpu time spent up to now is 26.1 secs Computing kpt #: 136 total cpu time spent up to now is 26.3 secs Computing kpt #: 137 total cpu time spent up to now is 26.5 secs Computing kpt #: 138 total cpu time spent up to now is 26.7 secs Computing kpt #: 139 total cpu time spent up to now is 26.9 secs Computing kpt #: 140 total cpu time spent up to now is 27.2 secs Computing kpt #: 141 total cpu time spent up to now is 27.4 secs Computing kpt #: 142 total cpu time spent up to now is 27.6 secs Computing kpt #: 143 total cpu time spent up to now is 27.8 secs Computing kpt #: 144 total cpu time spent up to now is 27.9 secs Computing kpt #: 145 total cpu time spent up to now is 28.1 secs Computing kpt #: 146 total cpu time spent up to now is 28.3 secs Computing kpt #: 147 total cpu time spent up to now is 28.4 secs Computing kpt #: 148 total cpu time spent up to now is 28.6 secs Computing kpt #: 149 total cpu time spent up to now is 28.8 secs Computing kpt #: 150 total cpu time spent up to now is 28.9 secs Computing kpt #: 151 total cpu time spent up to now is 29.1 secs Computing kpt #: 152 total cpu time spent up to now is 29.3 secs Computing kpt #: 153 total cpu time spent up to now is 29.4 secs Computing kpt #: 154 total cpu time spent up to now is 29.6 secs Computing kpt #: 155 total cpu time spent up to now is 29.7 secs Computing kpt #: 156 total cpu time spent up to now is 29.9 secs Computing kpt #: 157 total cpu time spent up to now is 30.0 secs Computing kpt #: 158 total cpu time spent up to now is 30.2 secs Computing kpt #: 159 total cpu time spent up to now is 30.4 secs Computing kpt #: 160 total cpu time spent up to now is 30.5 secs Computing kpt #: 161 total cpu time spent up to now is 30.7 secs Computing kpt #: 162 total cpu time spent up to now is 30.9 secs Computing kpt #: 163 total cpu time spent up to now is 31.1 secs Computing kpt #: 164 total cpu time spent up to now is 31.3 secs Computing kpt #: 165 total cpu time spent up to now is 31.5 secs Computing kpt #: 166 total cpu time spent up to now is 31.7 secs Computing kpt #: 167 total cpu time spent up to now is 31.9 secs Computing kpt #: 168 total cpu time spent up to now is 32.1 secs Computing kpt #: 169 total cpu time spent up to now is 32.4 secs Computing kpt #: 170 total cpu time spent up to now is 32.7 secs Computing kpt #: 171 total cpu time spent up to now is 33.0 secs Computing kpt #: 172 total cpu time spent up to now is 33.3 secs Computing kpt #: 173 total cpu time spent up to now is 33.7 secs Computing kpt #: 174 total cpu time spent up to now is 34.0 secs Computing kpt #: 175 total cpu time spent up to now is 34.3 secs Computing kpt #: 176 total cpu time spent up to now is 34.6 secs Computing kpt #: 177 total cpu time spent up to now is 34.9 secs Computing kpt #: 178 total cpu time spent up to now is 35.2 secs Computing kpt #: 179 total cpu time spent up to now is 35.5 secs Computing kpt #: 180 total cpu time spent up to now is 35.8 secs Computing kpt #: 181 total cpu time spent up to now is 36.1 secs Computing kpt #: 182 total cpu time spent up to now is 36.4 secs Computing kpt #: 183 total cpu time spent up to now is 36.7 secs Computing kpt #: 184 total cpu time spent up to now is 36.9 secs Computing kpt #: 185 total cpu time spent up to now is 37.2 secs Computing kpt #: 186 total cpu time spent up to now is 37.5 secs Computing kpt #: 187 total cpu time spent up to now is 37.8 secs Computing kpt #: 188 total cpu time spent up to now is 38.0 secs Computing kpt #: 189 total cpu time spent up to now is 38.2 secs Computing kpt #: 190 total cpu time spent up to now is 38.5 secs Computing kpt #: 191 total cpu time spent up to now is 38.8 secs Computing kpt #: 192 total cpu time spent up to now is 39.0 secs Computing kpt #: 193 total cpu time spent up to now is 39.3 secs Computing kpt #: 194 total cpu time spent up to now is 39.6 secs Computing kpt #: 195 total cpu time spent up to now is 39.9 secs Computing kpt #: 196 total cpu time spent up to now is 40.1 secs Computing kpt #: 197 total cpu time spent up to now is 40.4 secs Computing kpt #: 198 total cpu time spent up to now is 40.6 secs Computing kpt #: 199 total cpu time spent up to now is 40.9 secs Computing kpt #: 200 total cpu time spent up to now is 41.2 secs Computing kpt #: 201 total cpu time spent up to now is 41.4 secs Computing kpt #: 202 total cpu time spent up to now is 41.7 secs Computing kpt #: 203 total cpu time spent up to now is 41.9 secs Computing kpt #: 204 total cpu time spent up to now is 42.2 secs Computing kpt #: 205 total cpu time spent up to now is 42.4 secs Computing kpt #: 206 total cpu time spent up to now is 42.7 secs Computing kpt #: 207 total cpu time spent up to now is 42.9 secs Computing kpt #: 208 total cpu time spent up to now is 43.2 secs Computing kpt #: 209 total cpu time spent up to now is 43.4 secs Computing kpt #: 210 total cpu time spent up to now is 43.7 secs Computing kpt #: 211 total cpu time spent up to now is 43.9 secs Computing kpt #: 212 total cpu time spent up to now is 44.1 secs Computing kpt #: 213 total cpu time spent up to now is 44.3 secs Computing kpt #: 214 total cpu time spent up to now is 44.5 secs Computing kpt #: 215 total cpu time spent up to now is 44.7 secs Computing kpt #: 216 total cpu time spent up to now is 44.9 secs Computing kpt #: 217 total cpu time spent up to now is 45.1 secs Computing kpt #: 218 total cpu time spent up to now is 45.2 secs Computing kpt #: 219 total cpu time spent up to now is 45.4 secs Computing kpt #: 220 total cpu time spent up to now is 45.6 secs Computing kpt #: 221 total cpu time spent up to now is 45.7 secs Computing kpt #: 222 total cpu time spent up to now is 45.9 secs Computing kpt #: 223 total cpu time spent up to now is 46.1 secs Computing kpt #: 224 total cpu time spent up to now is 46.2 secs Computing kpt #: 225 total cpu time spent up to now is 46.4 secs Computing kpt #: 226 total cpu time spent up to now is 46.5 secs Computing kpt #: 227 total cpu time spent up to now is 46.7 secs Computing kpt #: 228 total cpu time spent up to now is 46.8 secs Computing kpt #: 229 total cpu time spent up to now is 46.9 secs Computing kpt #: 230 total cpu time spent up to now is 47.1 secs Computing kpt #: 231 total cpu time spent up to now is 47.2 secs Computing kpt #: 232 total cpu time spent up to now is 47.4 secs Computing kpt #: 233 total cpu time spent up to now is 47.5 secs Computing kpt #: 234 total cpu time spent up to now is 47.6 secs Computing kpt #: 235 total cpu time spent up to now is 47.8 secs Computing kpt #: 236 total cpu time spent up to now is 47.9 secs Computing kpt #: 237 total cpu time spent up to now is 48.1 secs Computing kpt #: 238 total cpu time spent up to now is 48.2 secs Computing kpt #: 239 total cpu time spent up to now is 48.3 secs Computing kpt #: 240 total cpu time spent up to now is 48.5 secs Computing kpt #: 241 total cpu time spent up to now is 48.6 secs Computing kpt #: 242 total cpu time spent up to now is 48.7 secs Computing kpt #: 243 total cpu time spent up to now is 48.9 secs Computing kpt #: 244 total cpu time spent up to now is 49.0 secs Computing kpt #: 245 total cpu time spent up to now is 49.1 secs Computing kpt #: 246 total cpu time spent up to now is 49.3 secs Computing kpt #: 247 total cpu time spent up to now is 49.4 secs Computing kpt #: 248 total cpu time spent up to now is 49.6 secs Computing kpt #: 249 total cpu time spent up to now is 49.7 secs Computing kpt #: 250 total cpu time spent up to now is 49.8 secs Computing kpt #: 251 total cpu time spent up to now is 50.0 secs Computing kpt #: 252 total cpu time spent up to now is 50.1 secs Computing kpt #: 253 total cpu time spent up to now is 50.3 secs Computing kpt #: 254 total cpu time spent up to now is 50.4 secs Computing kpt #: 255 total cpu time spent up to now is 50.6 secs Computing kpt #: 256 total cpu time spent up to now is 50.7 secs Computing kpt #: 257 total cpu time spent up to now is 50.9 secs Computing kpt #: 258 total cpu time spent up to now is 51.0 secs Computing kpt #: 259 total cpu time spent up to now is 51.2 secs Computing kpt #: 260 total cpu time spent up to now is 51.3 secs Computing kpt #: 261 total cpu time spent up to now is 51.5 secs Computing kpt #: 262 total cpu time spent up to now is 51.6 secs Computing kpt #: 263 total cpu time spent up to now is 51.8 secs Computing kpt #: 264 total cpu time spent up to now is 51.9 secs Computing kpt #: 265 total cpu time spent up to now is 52.1 secs Computing kpt #: 266 total cpu time spent up to now is 52.2 secs Computing kpt #: 267 total cpu time spent up to now is 52.4 secs Computing kpt #: 268 total cpu time spent up to now is 52.5 secs Computing kpt #: 269 total cpu time spent up to now is 52.7 secs Computing kpt #: 270 total cpu time spent up to now is 52.9 secs Computing kpt #: 271 total cpu time spent up to now is 53.0 secs Computing kpt #: 272 total cpu time spent up to now is 53.2 secs Computing kpt #: 273 total cpu time spent up to now is 53.4 secs Computing kpt #: 274 total cpu time spent up to now is 53.5 secs Computing kpt #: 275 total cpu time spent up to now is 53.7 secs Computing kpt #: 276 total cpu time spent up to now is 53.9 secs Computing kpt #: 277 total cpu time spent up to now is 54.1 secs Computing kpt #: 278 total cpu time spent up to now is 54.2 secs Computing kpt #: 279 total cpu time spent up to now is 54.8 secs Computing kpt #: 280 total cpu time spent up to now is 55.0 secs Computing kpt #: 281 total cpu time spent up to now is 55.2 secs Computing kpt #: 282 total cpu time spent up to now is 55.3 secs Computing kpt #: 283 total cpu time spent up to now is 55.5 secs Computing kpt #: 284 total cpu time spent up to now is 55.6 secs Computing kpt #: 285 total cpu time spent up to now is 55.7 secs Computing kpt #: 286 total cpu time spent up to now is 55.9 secs Computing kpt #: 287 total cpu time spent up to now is 56.0 secs Computing kpt #: 288 total cpu time spent up to now is 56.2 secs Computing kpt #: 289 total cpu time spent up to now is 56.3 secs Computing kpt #: 290 total cpu time spent up to now is 56.4 secs Computing kpt #: 291 total cpu time spent up to now is 56.6 secs Computing kpt #: 292 total cpu time spent up to now is 56.7 secs Computing kpt #: 293 total cpu time spent up to now is 56.8 secs Computing kpt #: 294 total cpu time spent up to now is 56.9 secs Computing kpt #: 295 total cpu time spent up to now is 57.1 secs Computing kpt #: 296 total cpu time spent up to now is 57.2 secs Computing kpt #: 297 total cpu time spent up to now is 57.3 secs Computing kpt #: 298 total cpu time spent up to now is 57.4 secs Computing kpt #: 299 total cpu time spent up to now is 57.6 secs Computing kpt #: 300 total cpu time spent up to now is 57.7 secs Computing kpt #: 301 total cpu time spent up to now is 57.8 secs Computing kpt #: 302 total cpu time spent up to now is 57.9 secs Computing kpt #: 303 total cpu time spent up to now is 58.0 secs Computing kpt #: 304 total cpu time spent up to now is 58.2 secs Computing kpt #: 305 total cpu time spent up to now is 58.3 secs Computing kpt #: 306 total cpu time spent up to now is 58.4 secs Computing kpt #: 307 total cpu time spent up to now is 58.5 secs Computing kpt #: 308 total cpu time spent up to now is 58.6 secs Computing kpt #: 309 total cpu time spent up to now is 58.8 secs Computing kpt #: 310 total cpu time spent up to now is 58.9 secs Computing kpt #: 311 total cpu time spent up to now is 59.0 secs Computing kpt #: 312 total cpu time spent up to now is 59.1 secs Computing kpt #: 313 total cpu time spent up to now is 59.3 secs Computing kpt #: 314 total cpu time spent up to now is 59.4 secs Computing kpt #: 315 total cpu time spent up to now is 59.5 secs Computing kpt #: 316 total cpu time spent up to now is 59.6 secs Computing kpt #: 317 total cpu time spent up to now is 59.8 secs Computing kpt #: 318 total cpu time spent up to now is 59.9 secs Computing kpt #: 319 total cpu time spent up to now is 60.1 secs Computing kpt #: 320 total cpu time spent up to now is 60.2 secs Computing kpt #: 321 total cpu time spent up to now is 60.3 secs Computing kpt #: 322 total cpu time spent up to now is 60.5 secs Computing kpt #: 323 total cpu time spent up to now is 60.6 secs Computing kpt #: 324 total cpu time spent up to now is 60.8 secs Computing kpt #: 325 total cpu time spent up to now is 60.9 secs Computing kpt #: 326 total cpu time spent up to now is 61.1 secs Computing kpt #: 327 total cpu time spent up to now is 61.2 secs Computing kpt #: 328 total cpu time spent up to now is 61.4 secs Computing kpt #: 329 total cpu time spent up to now is 61.6 secs Computing kpt #: 330 total cpu time spent up to now is 61.7 secs Computing kpt #: 331 total cpu time spent up to now is 61.9 secs Computing kpt #: 332 total cpu time spent up to now is 62.0 secs Computing kpt #: 333 total cpu time spent up to now is 62.2 secs Computing kpt #: 334 total cpu time spent up to now is 62.3 secs Computing kpt #: 335 total cpu time spent up to now is 62.5 secs Computing kpt #: 336 total cpu time spent up to now is 62.7 secs Computing kpt #: 337 total cpu time spent up to now is 62.8 secs Computing kpt #: 338 total cpu time spent up to now is 63.0 secs Computing kpt #: 339 total cpu time spent up to now is 63.1 secs Computing kpt #: 340 total cpu time spent up to now is 63.3 secs Computing kpt #: 341 total cpu time spent up to now is 63.5 secs Computing kpt #: 342 total cpu time spent up to now is 63.6 secs Computing kpt #: 343 total cpu time spent up to now is 63.8 secs Computing kpt #: 344 total cpu time spent up to now is 64.0 secs Computing kpt #: 345 total cpu time spent up to now is 64.1 secs Computing kpt #: 346 total cpu time spent up to now is 64.3 secs Computing kpt #: 347 total cpu time spent up to now is 64.5 secs Computing kpt #: 348 total cpu time spent up to now is 64.6 secs Computing kpt #: 349 total cpu time spent up to now is 64.8 secs Computing kpt #: 350 total cpu time spent up to now is 65.0 secs Computing kpt #: 351 total cpu time spent up to now is 65.1 secs Computing kpt #: 352 total cpu time spent up to now is 65.3 secs Computing kpt #: 353 total cpu time spent up to now is 65.5 secs Computing kpt #: 354 total cpu time spent up to now is 65.7 secs Computing kpt #: 355 total cpu time spent up to now is 65.9 secs Computing kpt #: 356 total cpu time spent up to now is 66.0 secs Computing kpt #: 357 total cpu time spent up to now is 66.2 secs Computing kpt #: 358 total cpu time spent up to now is 66.4 secs Computing kpt #: 359 total cpu time spent up to now is 66.6 secs Computing kpt #: 360 total cpu time spent up to now is 66.8 secs Computing kpt #: 361 total cpu time spent up to now is 67.0 secs Computing kpt #: 362 total cpu time spent up to now is 67.2 secs Computing kpt #: 363 total cpu time spent up to now is 67.5 secs Computing kpt #: 364 total cpu time spent up to now is 67.7 secs Computing kpt #: 365 total cpu time spent up to now is 67.9 secs Computing kpt #: 366 total cpu time spent up to now is 68.1 secs Computing kpt #: 367 total cpu time spent up to now is 68.4 secs Computing kpt #: 368 total cpu time spent up to now is 68.7 secs Computing kpt #: 369 total cpu time spent up to now is 68.9 secs Computing kpt #: 370 total cpu time spent up to now is 69.2 secs Computing kpt #: 371 total cpu time spent up to now is 69.4 secs Computing kpt #: 372 total cpu time spent up to now is 69.7 secs Computing kpt #: 373 total cpu time spent up to now is 70.0 secs Computing kpt #: 374 total cpu time spent up to now is 70.2 secs Computing kpt #: 375 total cpu time spent up to now is 70.4 secs Computing kpt #: 376 total cpu time spent up to now is 70.5 secs Computing kpt #: 377 total cpu time spent up to now is 70.7 secs Computing kpt #: 378 total cpu time spent up to now is 70.8 secs Computing kpt #: 379 total cpu time spent up to now is 71.0 secs Computing kpt #: 380 total cpu time spent up to now is 71.1 secs Computing kpt #: 381 total cpu time spent up to now is 71.3 secs Computing kpt #: 382 total cpu time spent up to now is 71.5 secs Computing kpt #: 383 total cpu time spent up to now is 71.6 secs Computing kpt #: 384 total cpu time spent up to now is 71.8 secs Computing kpt #: 385 total cpu time spent up to now is 71.9 secs Computing kpt #: 386 total cpu time spent up to now is 72.1 secs Computing kpt #: 387 total cpu time spent up to now is 72.2 secs Computing kpt #: 388 total cpu time spent up to now is 72.4 secs Computing kpt #: 389 total cpu time spent up to now is 72.6 secs Computing kpt #: 390 total cpu time spent up to now is 72.7 secs Computing kpt #: 391 total cpu time spent up to now is 72.9 secs Computing kpt #: 392 total cpu time spent up to now is 73.0 secs Computing kpt #: 393 total cpu time spent up to now is 73.1 secs Computing kpt #: 394 total cpu time spent up to now is 73.3 secs Computing kpt #: 395 total cpu time spent up to now is 73.4 secs Computing kpt #: 396 total cpu time spent up to now is 73.6 secs Computing kpt #: 397 total cpu time spent up to now is 73.7 secs Computing kpt #: 398 total cpu time spent up to now is 73.9 secs Computing kpt #: 399 total cpu time spent up to now is 74.0 secs Computing kpt #: 400 total cpu time spent up to now is 74.1 secs Computing kpt #: 401 total cpu time spent up to now is 74.3 secs Computing kpt #: 402 total cpu time spent up to now is 74.4 secs Computing kpt #: 403 total cpu time spent up to now is 74.6 secs Computing kpt #: 404 total cpu time spent up to now is 74.7 secs Computing kpt #: 405 total cpu time spent up to now is 74.8 secs Computing kpt #: 406 total cpu time spent up to now is 75.0 secs Computing kpt #: 407 total cpu time spent up to now is 75.2 secs Computing kpt #: 408 total cpu time spent up to now is 75.3 secs Computing kpt #: 409 total cpu time spent up to now is 75.5 secs Computing kpt #: 410 total cpu time spent up to now is 75.6 secs Computing kpt #: 411 total cpu time spent up to now is 75.8 secs Computing kpt #: 412 total cpu time spent up to now is 75.9 secs Computing kpt #: 413 total cpu time spent up to now is 76.1 secs Computing kpt #: 414 total cpu time spent up to now is 76.2 secs Computing kpt #: 415 total cpu time spent up to now is 76.4 secs Computing kpt #: 416 total cpu time spent up to now is 76.5 secs Computing kpt #: 417 total cpu time spent up to now is 76.6 secs Computing kpt #: 418 total cpu time spent up to now is 76.8 secs Computing kpt #: 419 total cpu time spent up to now is 76.9 secs Computing kpt #: 420 total cpu time spent up to now is 77.0 secs Computing kpt #: 421 total cpu time spent up to now is 77.2 secs Computing kpt #: 422 total cpu time spent up to now is 77.3 secs Computing kpt #: 423 total cpu time spent up to now is 77.4 secs Computing kpt #: 424 total cpu time spent up to now is 77.6 secs Computing kpt #: 425 total cpu time spent up to now is 77.7 secs Computing kpt #: 426 total cpu time spent up to now is 77.8 secs Computing kpt #: 427 total cpu time spent up to now is 77.9 secs Computing kpt #: 428 total cpu time spent up to now is 78.1 secs Computing kpt #: 429 total cpu time spent up to now is 78.2 secs Computing kpt #: 430 total cpu time spent up to now is 78.3 secs Computing kpt #: 431 total cpu time spent up to now is 78.4 secs Computing kpt #: 432 total cpu time spent up to now is 78.5 secs Computing kpt #: 433 total cpu time spent up to now is 78.7 secs Computing kpt #: 434 total cpu time spent up to now is 78.8 secs ethr = 4.17E-08, avg # of iterations = 20.1 total cpu time spent up to now is 78.8 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 1161 PWs) bands (ev): 1.7841 1.7841 2.0108 2.0108 2.1651 2.1651 2.1975 2.1975 2.7734 2.7734 2.7925 2.7925 2.8274 2.8274 3.0540 3.0540 3.2046 3.2046 3.2530 3.2530 3.4955 3.4955 8.6683 8.6683 8.7433 8.7433 22.3047 22.3047 26.1900 26.1900 26.3922 26.3922 k = 0.0081 0.0047-0.0000 ( 1161 PWs) bands (ev): 1.7847 1.7847 2.0114 2.0114 2.1653 2.1653 2.1976 2.1976 2.7735 2.7735 2.7938 2.7938 2.8276 2.8276 3.0539 3.0539 3.2037 3.2037 3.2533 3.2533 3.4949 3.4949 8.6710 8.6710 8.7443 8.7443 22.3068 22.3068 26.1768 26.1768 26.3639 26.3639 k = 0.0161 0.0093-0.0000 ( 1165 PWs) bands (ev): 1.7867 1.7867 2.0130 2.0130 2.1657 2.1657 2.1980 2.1980 2.7738 2.7738 2.7975 2.7975 2.8282 2.8282 3.0539 3.0539 3.2009 3.2009 3.2539 3.2539 3.4934 3.4934 8.6789 8.6789 8.7470 8.7470 22.3133 22.3133 26.1246 26.1246 26.2942 26.2942 k = 0.0242 0.0140-0.0000 ( 1169 PWs) bands (ev): 1.7899 1.7899 2.0157 2.0157 2.1664 2.1664 2.1987 2.1987 2.7745 2.7745 2.8035 2.8035 2.8294 2.8294 3.0537 3.0537 3.1964 3.1964 3.2548 3.2548 3.4908 3.4908 8.6921 8.6921 8.7516 8.7516 22.3239 22.3239 25.9993 25.9993 26.2256 26.2256 k = 0.0323 0.0186-0.0000 ( 1169 PWs) bands (ev): 1.7943 1.7943 2.0193 2.0193 2.1674 2.1674 2.1997 2.1997 2.7755 2.7755 2.8110 2.8110 2.8318 2.8318 3.0537 3.0537 3.1905 3.1905 3.2558 3.2558 3.4874 3.4874 8.7106 8.7106 8.7581 8.7581 22.3389 22.3389 25.8031 25.8031 26.1684 26.1684 k = 0.0403 0.0233-0.0000 ( 1173 PWs) bands (ev): 1.8000 1.8000 2.0239 2.0239 2.1687 2.1687 2.2008 2.2008 2.7770 2.7770 2.8182 2.8182 2.8373 2.8373 3.0537 3.0537 3.1834 3.1834 3.2565 3.2565 3.4830 3.4830 8.7342 8.7342 8.7664 8.7664 22.3580 22.3580 25.5649 25.5649 26.1035 26.1035 k = 0.0484 0.0279-0.0000 ( 1171 PWs) bands (ev): 1.8068 1.8068 2.0292 2.0292 2.1702 2.1702 2.2023 2.2023 2.7789 2.7789 2.8230 2.8230 2.8478 2.8478 3.0540 3.0540 3.1752 3.1752 3.2569 3.2569 3.4780 3.4780 8.7628 8.7628 8.7767 8.7767 22.3813 22.3813 25.3020 25.3020 26.0142 26.0142 k = 0.0565 0.0326-0.0000 ( 1167 PWs) bands (ev): 1.8147 1.8147 2.0352 2.0352 2.1720 2.1720 2.2039 2.2039 2.7814 2.7814 2.8261 2.8261 2.8627 2.8627 3.0549 3.0549 3.1659 3.1659 3.2570 3.2570 3.4723 3.4723 8.7885 8.7885 8.7969 8.7969 22.4087 22.4087 25.0238 25.0238 25.8937 25.8937 k = 0.0645 0.0372-0.0000 ( 1163 PWs) bands (ev): 1.8235 1.8235 2.0417 2.0417 2.1739 2.1739 2.2058 2.2058 2.7844 2.7844 2.8285 2.8285 2.8804 2.8804 3.0567 3.0567 3.1558 3.1558 3.2565 3.2565 3.4662 3.4662 8.8027 8.8027 8.8355 8.8355 22.4401 22.4401 24.7355 24.7355 25.7513 25.7513 k = 0.0726 0.0419-0.0000 ( 1163 PWs) bands (ev): 1.8333 1.8333 2.0486 2.0486 2.1760 2.1760 2.2079 2.2079 2.7879 2.7879 2.8309 2.8309 2.8999 2.8999 3.0602 3.0602 3.1449 3.1449 3.2554 3.2554 3.4598 3.4598 8.8188 8.8188 8.8790 8.8790 22.4755 22.4755 24.4403 24.4403 25.5976 25.5977 k = 0.0806 0.0466-0.0000 ( 1163 PWs) bands (ev): 1.8438 1.8438 2.0556 2.0556 2.1783 2.1783 2.2102 2.2102 2.7921 2.7921 2.8336 2.8336 2.9198 2.9198 3.0662 3.0662 3.1334 3.1334 3.2539 3.2539 3.4533 3.4533 8.8369 8.8369 8.9273 8.9273 22.5146 22.5146 24.1403 24.1403 25.4386 25.4386 k = 0.0887 0.0512-0.0000 ( 1163 PWs) bands (ev): 1.8549 1.8549 2.0628 2.0628 2.1805 2.1805 2.2129 2.2129 2.7969 2.7969 2.8367 2.8367 2.9384 2.9384 3.0761 3.0761 3.1218 3.1218 3.2517 3.2517 3.4467 3.4467 8.8570 8.8570 8.9802 8.9802 22.5572 22.5572 23.8373 23.8373 25.2768 25.2768 k = 0.0968 0.0559-0.0000 ( 1159 PWs) bands (ev): 1.8665 1.8665 2.0699 2.0699 2.1826 2.1826 2.2160 2.2160 2.8024 2.8024 2.8402 2.8402 2.9538 2.9538 3.0888 3.0888 3.1134 3.1134 3.2491 3.2491 3.4403 3.4403 8.8793 8.8793 9.0376 9.0376 22.6029 22.6029 23.5325 23.5325 25.1137 25.1137 k = 0.1048 0.0605-0.0000 ( 1157 PWs) bands (ev): 1.8783 1.8783 2.0769 2.0769 2.1845 2.1845 2.2196 2.2196 2.8086 2.8086 2.8444 2.8444 2.9646 2.9646 3.0878 3.0878 3.1259 3.1259 3.2461 3.2461 3.4341 3.4341 8.9037 8.9037 9.0994 9.0994 22.6501 22.6501 23.2281 23.2281 24.9503 24.9503 k = 0.1129 0.0652-0.0000 ( 1161 PWs) bands (ev): 1.8900 1.8900 2.0837 2.0837 2.1861 2.1861 2.2238 2.2238 2.8156 2.8156 2.8491 2.8491 2.9708 2.9708 3.0759 3.0759 3.1562 3.1562 3.2432 3.2432 3.4283 3.4283 8.9303 8.9303 9.1654 9.1654 22.6894 22.6894 22.9338 22.9338 24.7872 24.7872 k = 0.1210 0.0698-0.0000 ( 1161 PWs) bands (ev): 1.9015 1.9015 2.0903 2.0903 2.1872 2.1872 2.2286 2.2286 2.8233 2.8233 2.8545 2.8545 2.9734 2.9734 3.0625 3.0625 3.1924 3.1924 3.2425 3.2425 3.4230 3.4230 8.9592 8.9592 9.2356 9.2356 22.5730 22.5730 22.7976 22.7976 24.6249 24.6249 k = 0.1290 0.0745-0.0000 ( 1161 PWs) bands (ev): 1.9123 1.9123 2.0968 2.0968 2.1878 2.1878 2.2340 2.2340 2.8317 2.8317 2.8607 2.8607 2.9730 2.9730 3.0490 3.0490 3.2177 3.2177 3.2587 3.2587 3.4182 3.4182 8.9905 8.9905 9.3098 9.3098 22.2803 22.2803 22.8401 22.8401 24.4638 24.4638 k = 0.1371 0.0792-0.0000 ( 1161 PWs) bands (ev): 1.9223 1.9223 2.1031 2.1031 2.1880 2.1880 2.2400 2.2400 2.8409 2.8409 2.8676 2.8676 2.9704 2.9704 3.0361 3.0361 3.2195 3.2195 3.3036 3.3036 3.4139 3.4139 9.0241 9.0241 9.3879 9.3879 21.9742 21.9742 22.8982 22.8982 24.3042 24.3042 k = 0.1452 0.0838-0.0000 ( 1161 PWs) bands (ev): 1.9309 1.9309 2.1094 2.1094 2.1879 2.1879 2.2463 2.2463 2.8506 2.8506 2.8752 2.8752 2.9657 2.9657 3.0243 3.0243 3.2157 3.2157 3.3588 3.3588 3.4105 3.4105 9.0603 9.0603 9.4697 9.4697 21.6663 21.6663 22.9599 22.9599 24.1466 24.1466 k = 0.1532 0.0885-0.0000 ( 1161 PWs) bands (ev): 1.9381 1.9381 2.1153 2.1153 2.1878 2.1878 2.2528 2.2528 2.8607 2.8607 2.8837 2.8837 2.9590 2.9590 3.0141 3.0141 3.2107 3.2107 3.4052 3.4052 3.4220 3.4220 9.0989 9.0989 9.5552 9.5552 21.3582 21.3582 23.0225 23.0225 23.9916 23.9916 k = 0.1613 0.0931-0.0000 ( 1157 PWs) bands (ev): 1.9434 1.9434 2.1206 2.1206 2.1882 2.1882 2.2593 2.2593 2.8711 2.8711 2.8931 2.8931 2.9506 2.9506 3.0059 3.0059 3.2055 3.2055 3.4039 3.4039 3.4868 3.4868 9.1402 9.1402 9.6443 9.6443 21.0504 21.0504 23.0837 23.0837 23.8403 23.8403 k = 0.1694 0.0978-0.0000 ( 1157 PWs) bands (ev): 1.9468 1.9468 2.1248 2.1248 2.1897 2.1897 2.2657 2.2657 2.8813 2.8813 2.9030 2.9030 2.9416 2.9416 2.9995 2.9995 3.2004 3.2004 3.4020 3.4020 3.5572 3.5572 9.1842 9.1842 9.7368 9.7368 20.7433 20.7433 23.1392 23.1392 23.6953 23.6953 k = 0.1774 0.1024-0.0000 ( 1153 PWs) bands (ev): 1.9484 1.9484 2.1271 2.1271 2.1930 2.1930 2.2717 2.2717 2.8910 2.8910 2.9124 2.9124 2.9339 2.9339 2.9945 2.9945 3.1958 3.1958 3.4006 3.4006 3.6320 3.6320 9.2309 9.2309 9.8325 9.8325 20.4372 20.4372 23.1800 23.1800 23.5633 23.5634 k = 0.1855 0.1071-0.0000 ( 1155 PWs) bands (ev): 1.9480 1.9480 2.1272 2.1272 2.1983 2.1983 2.2771 2.2771 2.8991 2.8991 2.9156 2.9156 2.9345 2.9345 2.9909 2.9909 3.1920 3.1920 3.3997 3.3997 3.7111 3.7111 9.2805 9.2805 9.9315 9.9315 20.1321 20.1321 23.1822 23.1822 23.4644 23.4644 k = 0.1935 0.1117-0.0000 ( 1159 PWs) bands (ev): 1.9459 1.9459 2.1248 2.1248 2.2055 2.2055 2.2816 2.2816 2.9010 2.9010 2.9163 2.9163 2.9444 2.9444 2.9886 2.9886 3.1891 3.1891 3.3993 3.3993 3.7944 3.7944 9.3330 9.3330 10.0336 10.0336 19.8282 19.8282 23.1155 23.1155 23.4227 23.4227 k = 0.2016 0.1164-0.0000 ( 1157 PWs) bands (ev): 1.9422 1.9422 2.1205 2.1205 2.2141 2.2141 2.2851 2.2851 2.8961 2.8961 2.9223 2.9223 2.9554 2.9554 2.9885 2.9885 3.1876 3.1876 3.3994 3.3994 3.8817 3.8817 9.3886 9.3886 10.1387 10.1387 19.5257 19.5257 22.9992 22.9992 23.4087 23.4087 k = 0.2097 0.1211-0.0000 ( 1157 PWs) bands (ev): 1.9371 1.9371 2.1146 2.1146 2.2235 2.2235 2.2874 2.2874 2.8907 2.8907 2.9291 2.9291 2.9634 2.9634 2.9931 2.9931 3.1877 3.1877 3.4001 3.4001 3.9731 3.9731 9.4472 9.4472 10.2468 10.2468 19.2247 19.2247 22.8648 22.8648 23.3764 23.3764 k = 0.2177 0.1257-0.0000 ( 1161 PWs) bands (ev): 1.9308 1.9308 2.1074 2.1074 2.2332 2.2332 2.2882 2.2882 2.8868 2.8868 2.9353 2.9353 2.9663 2.9663 3.0036 3.0036 3.1897 3.1897 3.4014 3.4014 4.0685 4.0685 9.5089 9.5089 10.3576 10.3576 18.9251 18.9251 22.7233 22.7233 23.2971 23.2971 k = 0.2258 0.1304-0.0000 ( 1165 PWs) bands (ev): 1.9234 1.9234 2.0993 2.0993 2.2429 2.2429 2.2874 2.2874 2.8848 2.8848 2.9405 2.9405 2.9661 2.9661 3.0177 3.0177 3.1937 3.1937 3.4033 3.4033 4.1679 4.1679 9.5739 9.5739 10.4712 10.4712 18.6273 18.6273 22.5774 22.5774 23.1576 23.1576 k = 0.2339 0.1350-0.0000 ( 1162 PWs) bands (ev): 1.9151 1.9151 2.0904 2.0904 2.2522 2.2522 2.2850 2.2850 2.8850 2.8850 2.9446 2.9446 2.9647 2.9647 3.0335 3.0335 3.1998 3.1998 3.4059 3.4059 4.2711 4.2711 9.6422 9.6422 10.5874 10.5874 18.3311 18.3311 22.4262 22.4262 22.9653 22.9653 k = 0.2419 0.1397-0.0000 ( 1162 PWs) bands (ev): 1.9061 1.9061 2.0808 2.0808 2.2609 2.2609 2.2809 2.2809 2.8875 2.8875 2.9474 2.9474 2.9631 2.9631 3.0499 3.0499 3.2082 3.2082 3.4092 3.4092 4.3782 4.3782 9.7139 9.7139 10.7063 10.7063 18.0368 18.0368 22.2658 22.2658 22.7455 22.7455 k = 0.2500 0.1443-0.0000 ( 1164 PWs) bands (ev): 1.8963 1.8963 2.0707 2.0707 2.2688 2.2688 2.2753 2.2753 2.8922 2.8922 2.9482 2.9482 2.9622 2.9622 3.0664 3.0664 3.2185 3.2185 3.4133 3.4133 4.4891 4.4891 9.7890 9.7890 10.8276 10.8276 17.7443 17.7443 22.0893 22.0893 22.5244 22.5244 k = 0.2581 0.1490-0.0000 ( 1160 PWs) bands (ev): 1.8861 1.8861 2.0602 2.0602 2.2672 2.2672 2.2770 2.2770 2.8989 2.8989 2.9467 2.9467 2.9629 2.9629 3.0829 3.0829 3.2307 3.2307 3.4182 3.4182 4.6038 4.6038 9.8675 9.8675 10.9513 10.9513 17.4538 17.4538 21.8884 21.8884 22.3200 22.3200 k = 0.2661 0.1536-0.0000 ( 1156 PWs) bands (ev): 1.8753 1.8753 2.0494 2.0494 2.2584 2.2584 2.2835 2.2835 2.9073 2.9073 2.9432 2.9432 2.9650 2.9650 3.0991 3.0991 3.2446 3.2446 3.4240 3.4240 4.7223 4.7223 9.9497 9.9497 11.0774 11.0774 17.1653 17.1653 21.6607 21.6607 22.1387 22.1387 k = 0.2742 0.1583-0.0000 ( 1160 PWs) bands (ev): 1.8643 1.8643 2.0383 2.0383 2.2482 2.2482 2.2893 2.2893 2.9169 2.9169 2.9387 2.9387 2.9680 2.9680 3.1147 3.1147 3.2599 3.2599 3.4308 3.4308 4.8444 4.8444 10.0354 10.0354 11.2057 11.2057 16.8790 16.8790 21.4119 21.4119 21.9734 21.9734 k = 0.2823 0.1630-0.0000 ( 1164 PWs) bands (ev): 1.8530 1.8530 2.0270 2.0270 2.2368 2.2368 2.2944 2.2944 2.9261 2.9261 2.9349 2.9349 2.9721 2.9721 3.1298 3.1298 3.2763 3.2763 3.4386 3.4386 4.9703 4.9703 10.1247 10.1247 11.3362 11.3362 16.5949 16.5949 21.1501 21.1501 21.8045 21.8045 k = 0.2903 0.1676-0.0000 ( 1158 PWs) bands (ev): 1.8415 1.8415 2.0156 2.0156 2.2245 2.2245 2.2988 2.2988 2.9254 2.9254 2.9405 2.9405 2.9775 2.9775 3.1442 3.1442 3.2936 3.2936 3.4474 3.4474 5.0998 5.0998 10.2176 10.2176 11.4688 11.4688 16.3131 16.3131 20.8812 20.8812 21.6081 21.6081 k = 0.2984 0.1723-0.0000 ( 1158 PWs) bands (ev): 1.8299 1.8299 2.0041 2.0041 2.2115 2.2115 2.3024 2.3024 2.9196 2.9196 2.9501 2.9501 2.9848 2.9848 3.1577 3.1577 3.3116 3.3116 3.4572 3.4572 5.2329 5.2329 10.3142 10.3142 11.6035 11.6035 16.0336 16.0336 20.6088 20.6088 21.3913 21.3913 k = 0.3065 0.1769-0.0000 ( 1152 PWs) bands (ev): 1.8182 1.8182 1.9927 1.9927 2.1979 2.1979 2.3054 2.3054 2.9132 2.9132 2.9588 2.9588 2.9944 2.9944 3.1704 3.1704 3.3301 3.3301 3.4680 3.4680 5.3696 5.3696 10.4144 10.4144 11.7401 11.7401 15.7568 15.7568 20.3350 20.3350 21.1680 21.1680 k = 0.3145 0.1816-0.0000 ( 1152 PWs) bands (ev): 1.8066 1.8066 1.9813 1.9813 2.1840 2.1840 2.3077 2.3077 2.9066 2.9066 2.9659 2.9659 3.0062 3.0062 3.1824 3.1824 3.3490 3.3490 3.4797 3.4797 5.5098 5.5098 10.5181 10.5181 11.8785 11.8785 15.4825 15.4825 20.0611 20.0611 20.9435 20.9435 k = 0.3226 0.1862-0.0000 ( 1150 PWs) bands (ev): 1.7950 1.7950 1.9700 1.9700 2.1699 2.1699 2.3094 2.3094 2.8999 2.8999 2.9721 2.9721 3.0193 3.0193 3.1936 3.1936 3.3681 3.3681 3.4923 3.4923 5.6535 5.6535 10.6252 10.6252 12.0187 12.0187 15.2111 15.2111 19.7880 19.7880 20.7194 20.7194 k = 0.3306 0.1909-0.0000 ( 1154 PWs) bands (ev): 1.7836 1.7836 1.9589 1.9589 2.1558 2.1558 2.3105 2.3105 2.8933 2.8933 2.9776 2.9776 3.0332 3.0332 3.2041 3.2041 3.3871 3.3871 3.5055 3.5055 5.8007 5.8007 10.7357 10.7357 12.1606 12.1606 14.9428 14.9428 19.5161 19.5161 20.4966 20.4966 k = 0.3387 0.1956-0.0000 ( 1154 PWs) bands (ev): 1.7724 1.7724 1.9480 1.9480 2.1417 2.1417 2.3112 2.3112 2.8867 2.8867 2.9828 2.9828 3.0471 3.0471 3.2140 3.2140 3.4061 3.4061 3.5193 3.5193 5.9514 5.9514 10.8492 10.8492 12.3040 12.3040 14.6778 14.6778 19.2460 19.2460 20.2757 20.2757 k = 0.3468 0.2002-0.0000 ( 1154 PWs) bands (ev): 1.7615 1.7615 1.9373 1.9373 2.1278 2.1278 2.3114 2.3114 2.8802 2.8802 2.9880 2.9880 3.0607 3.0607 3.2235 3.2235 3.4249 3.4249 3.5336 3.5336 6.1054 6.1054 10.9654 10.9654 12.4489 12.4489 14.4165 14.4165 18.9781 18.9781 20.0567 20.0567 k = 0.3548 0.2049-0.0000 ( 1146 PWs) bands (ev): 1.7508 1.7508 1.9270 1.9270 2.1142 2.1142 2.3112 2.3112 2.8739 2.8739 2.9930 2.9930 3.0738 3.0738 3.2327 3.2327 3.4434 3.4434 3.5480 3.5480 6.2628 6.2628 11.0839 11.0839 12.5950 12.5950 14.1595 14.1595 18.7125 18.7125 19.8402 19.8402 k = 0.3629 0.2095-0.0000 ( 1150 PWs) bands (ev): 1.7405 1.7405 1.9170 1.9170 2.1009 2.1009 2.3107 2.3107 2.8678 2.8678 2.9980 2.9980 3.0861 3.0861 3.2416 3.2416 3.4614 3.4614 3.5626 3.5626 6.4236 6.4236 11.2038 11.2038 12.7422 12.7422 13.9076 13.9076 18.4496 18.4496 19.6262 19.6262 k = 0.3710 0.2142-0.0000 ( 1150 PWs) bands (ev): 1.7305 1.7305 1.9073 1.9073 2.0881 2.0881 2.3099 2.3099 2.8620 2.8620 3.0030 3.0030 3.0974 3.0974 3.2503 3.2503 3.4789 3.4789 3.5772 3.5772 6.5876 6.5876 11.3237 11.3237 12.8902 12.8902 13.6624 13.6624 18.1896 18.1896 19.4149 19.4149 k = 0.3790 0.2188-0.0000 ( 1150 PWs) bands (ev): 1.7210 1.7210 1.8981 1.8981 2.0759 2.0759 2.3089 2.3089 2.8564 2.8564 3.0079 3.0079 3.1077 3.1077 3.2589 3.2589 3.4958 3.4958 3.5915 3.5915 6.7548 6.7548 11.4414 11.4414 13.0381 13.0381 13.4267 13.4267 17.9327 17.9327 19.2068 19.2068 k = 0.3871 0.2235-0.0000 ( 1150 PWs) bands (ev): 1.7119 1.7119 1.8893 1.8893 2.0642 2.0642 2.3077 2.3077 2.8511 2.8511 3.0127 3.0127 3.1169 3.1169 3.2675 3.2675 3.5120 3.5120 3.6055 3.6055 6.9252 6.9252 11.5528 11.5528 13.1642 13.1642 13.2261 13.2261 17.6792 17.6792 19.0019 19.0019 k = 0.3952 0.2281-0.0000 ( 1148 PWs) bands (ev): 1.7033 1.7033 1.8810 1.8810 2.0531 2.0531 2.3063 2.3063 2.8461 2.8461 3.0174 3.0174 3.1251 3.1251 3.2759 3.2759 3.5274 3.5274 3.6190 3.6190 7.0988 7.0988 11.6501 11.6501 12.9937 12.9937 13.3426 13.3426 17.4293 17.4293 18.8007 18.8007 k = 0.4032 0.2328-0.0000 ( 1144 PWs) bands (ev): 1.6952 1.6952 1.8732 1.8732 2.0427 2.0427 2.3049 2.3049 2.8414 2.8414 3.0219 3.0219 3.1323 3.1323 3.2841 3.2841 3.5419 3.5419 3.6320 3.6320 7.2754 7.2754 11.7182 11.7182 12.8267 12.8267 13.4909 13.4909 17.1832 17.1832 18.6036 18.6036 k = 0.4113 0.2375-0.0000 ( 1142 PWs) bands (ev): 1.6877 1.6877 1.8659 1.8659 2.0330 2.0330 2.3034 2.3034 2.8370 2.8370 3.0263 3.0263 3.1384 3.1384 3.2921 3.2921 3.5556 3.5556 3.6443 3.6443 7.4549 7.4549 11.7327 11.7327 12.7185 12.7185 13.6392 13.6392 16.9413 16.9413 18.4110 18.4110 k = 0.4194 0.2421-0.0000 ( 1142 PWs) bands (ev): 1.6807 1.6807 1.8592 1.8592 2.0241 2.0241 2.3020 2.3020 2.8330 2.8330 3.0304 3.0304 3.1437 3.1437 3.2997 3.2997 3.5682 3.5682 3.6559 3.6559 7.6374 7.6374 11.6724 11.6724 12.6909 12.6909 13.7865 13.7865 16.7040 16.7040 18.2237 18.2237 k = 0.4274 0.2468-0.0000 ( 1134 PWs) bands (ev): 1.6743 1.6743 1.8530 1.8530 2.0159 2.0159 2.3005 2.3005 2.8293 2.8293 3.0342 3.0342 3.1482 3.1482 3.3070 3.3070 3.5799 3.5799 3.6665 3.6665 7.8226 7.8226 11.5434 11.5434 12.7375 12.7375 13.9315 13.9315 16.4717 16.4717 18.0424 18.0424 k = 0.4355 0.2514-0.0000 ( 1136 PWs) bands (ev): 1.6685 1.6685 1.8475 1.8475 2.0085 2.0085 2.2991 2.2991 2.8260 2.8260 3.0377 3.0377 3.1520 3.1520 3.3137 3.3137 3.5904 3.5904 3.6763 3.6763 8.0104 8.0104 11.3712 11.3712 12.8323 12.8323 14.0733 14.0733 16.2452 16.2452 17.8684 17.8684 k = 0.4435 0.2561-0.0000 ( 1136 PWs) bands (ev): 1.6634 1.6634 1.8425 1.8425 2.0019 2.0019 2.2979 2.2979 2.8231 2.8231 3.0409 3.0409 3.1551 3.1551 3.3198 3.3198 3.5998 3.5998 3.6851 3.6851 8.2006 8.2006 11.1768 11.1768 12.9538 12.9538 14.2104 14.2104 16.0253 16.0253 17.7029 17.7029 k = 0.4516 0.2607-0.0000 ( 1134 PWs) bands (ev): 1.6589 1.6589 1.8382 1.8382 1.9962 1.9962 2.2967 2.2967 2.8206 2.8206 3.0437 3.0437 3.1577 3.1577 3.3252 3.3252 3.6081 3.6081 3.6928 3.6928 8.3927 8.3927 10.9718 10.9718 13.0894 13.0894 14.3408 14.3408 15.8134 15.8134 17.5480 17.5480 k = 0.4597 0.2654-0.0000 ( 1130 PWs) bands (ev): 1.6551 1.6551 1.8345 1.8345 1.9914 1.9914 2.2957 2.2957 2.8184 2.8184 3.0461 3.0461 3.1598 3.1598 3.3299 3.3299 3.6151 3.6151 3.6994 3.6994 8.5863 8.5863 10.7629 10.7629 13.2309 13.2309 14.4622 14.4622 15.6116 15.6116 17.4061 17.4061 k = 0.4677 0.2701-0.0000 ( 1130 PWs) bands (ev): 1.6519 1.6519 1.8315 1.8315 1.9874 1.9874 2.2948 2.2948 2.8166 2.8166 3.0481 3.0481 3.1614 3.1614 3.3338 3.3338 3.6209 3.6209 3.7048 3.7048 8.7801 8.7801 10.5541 10.5541 13.3720 13.3720 14.5712 14.5712 15.4232 15.4232 17.2806 17.2806 k = 0.4758 0.2747-0.0000 ( 1128 PWs) bands (ev): 1.6495 1.6495 1.8291 1.8291 1.9842 1.9842 2.2941 2.2941 2.8152 2.8152 3.0497 3.0497 3.1626 3.1626 3.3369 3.3369 3.6255 3.6255 3.7091 3.7091 8.9720 8.9720 10.3494 10.3494 13.5052 13.5052 14.6642 14.6642 15.2537 15.2537 17.1754 17.1754 k = 0.4839 0.2794-0.0000 ( 1124 PWs) bands (ev): 1.6477 1.6477 1.8274 1.8274 1.9820 1.9820 2.2936 2.2936 2.8142 2.8142 3.0509 3.0509 3.1635 3.1635 3.3391 3.3391 3.6287 3.6287 3.7122 3.7122 9.1561 9.1561 10.1557 10.1557 13.6198 13.6198 14.7370 14.7370 15.1123 15.1123 17.0953 17.0953 k = 0.4919 0.2840-0.0000 ( 1130 PWs) bands (ev): 1.6467 1.6467 1.8264 1.8264 1.9807 1.9807 2.2933 2.2933 2.8136 2.8136 3.0516 3.0516 3.1640 3.1640 3.3405 3.3405 3.6307 3.6307 3.7141 3.7141 9.3144 9.3144 9.9914 9.9914 13.7007 13.7007 14.7856 14.7856 15.0131 15.0131 17.0448 17.0448 k = 0.5000 0.2887-0.0000 ( 1128 PWs) bands (ev): 1.6463 1.6463 1.8261 1.8261 1.9802 1.9802 2.2932 2.2932 2.8135 2.8135 3.0518 3.0518 3.1642 3.1642 3.3409 3.3409 3.6313 3.6313 3.7147 3.7147 9.3884 9.3884 9.9153 9.9153 13.7305 13.7305 14.8039 14.8039 14.9756 14.9756 17.0275 17.0275 k = 0.5000 0.2887-0.0000 ( 1128 PWs) bands (ev): 1.6463 1.6463 1.8261 1.8261 1.9802 1.9802 2.2932 2.2932 2.8135 2.8135 3.0518 3.0518 3.1642 3.1642 3.3409 3.3409 3.6313 3.6313 3.7147 3.7147 9.3884 9.3884 9.9153 9.9153 13.7305 13.7305 14.8039 14.8039 14.9756 14.9756 17.0275 17.0275 k = 0.4954 0.2967-0.0000 ( 1124 PWs) bands (ev): 1.6472 1.6472 1.8269 1.8269 1.9804 1.9804 2.2932 2.2932 2.8133 2.8133 3.0516 3.0516 3.1640 3.1640 3.3405 3.3405 3.6304 3.6304 3.7140 3.7140 9.3908 9.3908 9.9169 9.9169 13.7325 13.7325 14.8059 14.8059 14.9767 14.9767 17.0286 17.0286 k = 0.4907 0.3047-0.0000 ( 1124 PWs) bands (ev): 1.6497 1.6497 1.8294 1.8294 1.9810 1.9810 2.2932 2.2932 2.8128 2.8128 3.0510 3.0510 3.1633 3.1633 3.3393 3.3393 3.6276 3.6276 3.7119 3.7119 9.3982 9.3982 9.9216 9.9216 13.7386 13.7386 14.8119 14.8119 14.9799 14.9799 17.0319 17.0319 k = 0.4861 0.3127-0.0000 ( 1128 PWs) bands (ev): 1.6539 1.6539 1.8336 1.8336 1.9820 1.9820 2.2933 2.2933 2.8119 2.8119 3.0499 3.0499 3.1623 3.1623 3.3373 3.3373 3.6230 3.6230 3.7084 3.7084 9.4105 9.4105 9.9295 9.9295 13.7487 13.7487 14.8219 14.8219 14.9854 14.9854 17.0374 17.0374 k = 0.4815 0.3208-0.0000 ( 1128 PWs) bands (ev): 1.6597 1.6597 1.8394 1.8394 1.9833 1.9833 2.2933 2.2933 2.8107 2.8107 3.0484 3.0484 3.1609 3.1609 3.3346 3.3346 3.6166 3.6166 3.7035 3.7035 9.4276 9.4276 9.9405 9.9405 13.7628 13.7628 14.8359 14.8359 14.9931 14.9931 17.0451 17.0451 k = 0.4769 0.3288-0.0000 ( 1136 PWs) bands (ev): 1.6672 1.6672 1.8468 1.8468 1.9851 1.9851 2.2934 2.2934 2.8092 2.8092 3.0465 3.0465 3.1591 3.1591 3.3310 3.3310 3.6085 3.6085 3.6974 3.6974 9.4496 9.4496 9.9546 9.9546 13.7810 13.7810 14.8539 14.8539 15.0029 15.0029 17.0549 17.0549 k = 0.4722 0.3368-0.0000 ( 1136 PWs) bands (ev): 1.6763 1.6763 1.8557 1.8557 1.9872 1.9872 2.2935 2.2935 2.8074 2.8074 3.0441 3.0441 3.1569 3.1569 3.3267 3.3267 3.5987 3.5987 3.6900 3.6900 9.4763 9.4763 9.9717 9.9717 13.8032 13.8032 14.8758 14.8758 15.0150 15.0150 17.0669 17.0669 k = 0.4676 0.3448-0.0000 ( 1136 PWs) bands (ev): 1.6869 1.6869 1.8661 1.8661 1.9897 1.9897 2.2935 2.2935 2.8053 2.8053 3.0412 3.0412 3.1543 3.1543 3.3216 3.3216 3.5874 3.5874 3.6814 3.6814 9.5077 9.5077 9.9919 9.9919 13.8295 13.8295 14.9016 14.9016 15.0293 15.0293 17.0809 17.0809 k = 0.4630 0.3528-0.0000 ( 1136 PWs) bands (ev): 1.6991 1.6991 1.8779 1.8779 1.9927 1.9927 2.2935 2.2935 2.8029 2.8029 3.0379 3.0379 3.1514 3.1514 3.3159 3.3159 3.5747 3.5747 3.6716 3.6716 9.5437 9.5437 10.0151 10.0151 13.8598 13.8598 14.9313 14.9313 15.0459 15.0459 17.0970 17.0970 k = 0.4583 0.3608-0.0000 ( 1136 PWs) bands (ev): 1.7128 1.7128 1.8910 1.8910 1.9960 1.9960 2.2936 2.2936 2.8004 2.8004 3.0340 3.0340 3.1481 3.1481 3.3095 3.3095 3.5607 3.5607 3.6609 3.6609 9.5842 9.5842 10.0413 10.0413 13.8940 13.8940 14.9647 14.9647 15.0647 15.0647 17.1151 17.1151 k = 0.4537 0.3689-0.0000 ( 1134 PWs) bands (ev): 1.7279 1.7279 1.9053 1.9053 1.9999 1.9999 2.2935 2.2935 2.7976 2.7976 3.0297 3.0297 3.1444 3.1444 3.3024 3.3024 3.5455 3.5455 3.6492 3.6492 9.6290 9.6290 10.0704 10.0704 13.9324 13.9324 15.0017 15.0017 15.0859 15.0859 17.1351 17.1351 k = 0.4491 0.3769-0.0000 ( 1134 PWs) bands (ev): 1.7443 1.7443 1.9206 1.9206 2.0042 2.0042 2.2934 2.2934 2.7947 2.7947 3.0249 3.0249 3.1403 3.1403 3.2949 3.2949 3.5292 3.5292 3.6368 3.6368 9.6782 9.6782 10.1024 10.1024 13.9746 13.9746 15.0422 15.0422 15.1096 15.1096 17.1571 17.1571 k = 0.4444 0.3849-0.0000 ( 1138 PWs) bands (ev): 1.7621 1.7621 1.9366 1.9366 2.0092 2.0092 2.2933 2.2933 2.7917 2.7917 3.0195 3.0195 3.1356 3.1356 3.2869 3.2869 3.5120 3.5120 3.6236 3.6236 9.7316 9.7316 10.1372 10.1372 14.0209 14.0209 15.0856 15.0856 15.1361 15.1361 17.1808 17.1808 k = 0.4398 0.3929-0.0000 ( 1138 PWs) bands (ev): 1.7811 1.7811 1.9530 1.9530 2.0150 2.0150 2.2931 2.2931 2.7887 2.7887 3.0137 3.0137 3.1305 3.1305 3.2786 3.2786 3.4940 3.4940 3.6098 3.6098 9.7891 9.7891 10.1749 10.1749 14.0712 14.0712 15.1304 15.1304 15.1669 15.1669 17.2062 17.2062 k = 0.4352 0.4009-0.0000 ( 1146 PWs) bands (ev): 1.8012 1.8012 1.9693 1.9693 2.0221 2.0221 2.2928 2.2928 2.7857 2.7857 3.0075 3.0075 3.1246 3.1246 3.2702 3.2702 3.4753 3.4753 3.5956 3.5956 9.8505 9.8505 10.2153 10.2153 14.1253 14.1253 15.1727 15.1727 15.2056 15.2056 17.2331 17.2331 k = 0.4306 0.4090-0.0000 ( 1146 PWs) bands (ev): 1.8224 1.8224 1.9846 1.9846 2.0312 2.0312 2.2924 2.2924 2.7827 2.7827 3.0008 3.0008 3.1179 3.1179 3.2618 3.2618 3.4561 3.4561 3.5811 3.5811 9.9158 9.9158 10.2585 10.2585 14.1833 14.1833 15.2095 15.2095 15.2549 15.2549 17.2605 17.2605 k = 0.4259 0.4170-0.0000 ( 1142 PWs) bands (ev): 1.8445 1.8445 1.9978 1.9978 2.0431 2.0431 2.2918 2.2918 2.7799 2.7799 2.9939 2.9939 3.1103 3.1103 3.2537 3.2537 3.4364 3.4364 3.5663 3.5663 9.9848 9.9848 10.3044 10.3044 14.2452 14.2452 15.2435 15.2435 15.3113 15.3113 17.0611 17.0611 k = 0.4213 0.4250-0.0000 ( 1134 PWs) bands (ev): 1.8675 1.8675 2.0085 2.0085 2.0580 2.0580 2.2912 2.2912 2.7774 2.7774 2.9867 2.9867 3.1015 3.1015 3.2461 3.2461 3.4164 3.4164 3.5514 3.5514 10.0575 10.0575 10.3530 10.3530 14.3108 14.3108 15.2765 15.2765 15.3721 15.3721 16.8099 16.8099 k = 0.4167 0.4330-0.0000 ( 1136 PWs) bands (ev): 1.8912 1.8912 2.0172 2.0172 2.0753 2.0753 2.2904 2.2904 2.7751 2.7751 2.9795 2.9795 3.0914 3.0914 3.2391 3.2391 3.3963 3.3963 3.5365 3.5365 10.1336 10.1336 10.4042 10.4042 14.3801 14.3801 15.3076 15.3076 15.4361 15.4361 16.5635 16.5635 k = 0.4120 0.4410-0.0000 ( 1138 PWs) bands (ev): 1.9154 1.9154 2.0247 2.0247 2.0939 2.0939 2.2895 2.2895 2.7731 2.7731 2.9723 2.9723 3.0801 3.0801 3.2330 3.2330 3.3760 3.3760 3.5217 3.5217 10.2132 10.2132 10.4581 10.4581 14.4528 14.4528 15.3334 15.3334 15.5022 15.5022 16.3272 16.3272 k = 0.4074 0.4491-0.0000 ( 1142 PWs) bands (ev): 1.9400 1.9400 2.0314 2.0314 2.1132 2.1132 2.2884 2.2884 2.7716 2.7716 2.9653 2.9653 3.0674 3.0674 3.2277 3.2277 3.3557 3.3557 3.5070 3.5070 10.2960 10.2960 10.5147 10.5147 14.5287 14.5287 15.3454 15.3454 15.5684 15.5684 16.1120 16.1120 k = 0.4028 0.4571-0.0000 ( 1138 PWs) bands (ev): 1.9648 1.9648 2.0378 2.0378 2.1326 2.1326 2.2872 2.2872 2.7705 2.7705 2.9588 2.9588 3.0535 3.0535 3.2233 3.2233 3.3356 3.3356 3.4926 3.4926 10.3821 10.3821 10.5740 10.5740 14.6068 14.6068 15.3222 15.3222 15.6298 15.6298 15.9450 15.9450 k = 0.3981 0.4651-0.0000 ( 1138 PWs) bands (ev): 1.9893 1.9893 2.0441 2.0441 2.1515 2.1515 2.2859 2.2859 2.7699 2.7699 2.9529 2.9529 3.0386 3.0386 3.2197 3.2197 3.3157 3.3157 3.4784 3.4784 10.4712 10.4712 10.6360 10.6360 14.6852 14.6852 15.2319 15.2319 15.6760 15.6760 15.8712 15.8712 k = 0.3935 0.4731-0.0000 ( 1138 PWs) bands (ev): 2.0130 2.0130 2.0511 2.0511 2.1696 2.1696 2.2845 2.2845 2.7697 2.7697 2.9479 2.9479 3.0228 3.0228 3.2166 3.2166 3.2965 3.2965 3.4646 3.4646 10.5632 10.5632 10.7008 10.7008 14.7537 14.7537 15.0808 15.0808 15.7083 15.7083 15.8929 15.8929 k = 0.3889 0.4811-0.0000 ( 1138 PWs) bands (ev): 2.0338 2.0338 2.0606 2.0606 2.1866 2.1866 2.2830 2.2830 2.7699 2.7699 2.9441 2.9441 3.0065 3.0065 3.2136 3.2136 3.2782 3.2782 3.4510 3.4510 10.6580 10.6580 10.7683 10.7683 14.7415 14.7415 14.9720 14.9720 15.7462 15.7462 15.9584 15.9584 k = 0.3843 0.4891-0.0000 ( 1138 PWs) bands (ev): 2.0478 2.0478 2.0761 2.0761 2.2023 2.2023 2.2814 2.2814 2.7704 2.7704 2.9418 2.9418 2.9898 2.9898 3.2098 3.2098 3.2618 3.2618 3.4378 3.4378 10.7554 10.7554 10.8389 10.8389 14.5640 14.5640 15.0139 15.0139 15.7944 15.7944 16.0394 16.0394 k = 0.3796 0.4972-0.0000 ( 1142 PWs) bands (ev): 2.0558 2.0558 2.0966 2.0966 2.2162 2.2162 2.2799 2.2799 2.7712 2.7712 2.9410 2.9410 2.9734 2.9734 3.2036 3.2036 3.2489 3.2489 3.4250 3.4250 10.8548 10.8548 10.9130 10.9130 14.3373 14.3373 15.1005 15.1005 15.8506 15.8506 16.1281 16.1281 k = 0.3750 0.5052-0.0000 ( 1144 PWs) bands (ev): 2.0613 2.0613 2.1185 2.1185 2.2284 2.2284 2.2785 2.2785 2.7722 2.7722 2.9410 2.9410 2.9583 2.9583 3.1935 3.1935 3.2410 3.2410 3.4126 3.4126 10.9546 10.9546 10.9920 10.9920 14.0998 14.0998 15.1981 15.1981 15.9127 15.9127 16.2218 16.2218 k = 0.3704 0.5132-0.0000 ( 1150 PWs) bands (ev): 2.0658 2.0658 2.1400 2.1400 2.2384 2.2384 2.2773 2.2773 2.7733 2.7733 2.9349 2.9349 2.9519 2.9519 3.1798 3.1798 3.2377 3.2377 3.4006 3.4006 11.0496 11.0496 11.0812 11.0812 13.8589 13.8589 15.3013 15.3013 15.9798 15.9798 16.3196 16.3196 k = 0.3657 0.5212-0.0000 ( 1150 PWs) bands (ev): 2.0695 2.0695 2.1603 2.1603 2.2461 2.2461 2.2765 2.2765 2.7747 2.7747 2.9209 2.9209 2.9559 2.9559 3.1643 3.1643 3.2374 3.2374 3.3890 3.3890 11.1371 11.1371 11.1832 11.1832 13.6172 13.6172 15.4085 15.4085 16.0512 16.0512 16.4209 16.4209 k = 0.3611 0.5292-0.0000 ( 1148 PWs) bands (ev): 2.0727 2.0727 2.1792 2.1792 2.2514 2.2514 2.2763 2.2763 2.7763 2.7763 2.9063 2.9063 2.9636 2.9636 3.1482 3.1482 3.2388 3.2388 3.3780 3.3780 11.2233 11.2233 11.2916 11.2916 13.3760 13.3760 15.5188 15.5188 16.1264 16.1264 16.5256 16.5256 k = 0.3565 0.5373-0.0000 ( 1144 PWs) bands (ev): 2.0754 2.0754 2.1961 2.1961 2.2545 2.2545 2.2765 2.2765 2.7783 2.7783 2.8923 2.8923 2.9732 2.9732 3.1322 3.1322 3.2413 3.2413 3.3676 3.3676 11.3111 11.3111 11.4031 11.4031 13.1364 13.1364 15.6316 15.6316 16.2050 16.2050 16.6333 16.6333 k = 0.3519 0.5453-0.0000 ( 1148 PWs) bands (ev): 2.0775 2.0775 2.2108 2.2108 2.2559 2.2559 2.2770 2.2770 2.7807 2.7807 2.8796 2.8796 2.9842 2.9842 3.1168 3.1168 3.2445 3.2445 3.3581 3.3581 11.4014 11.4014 11.5163 11.5163 12.8995 12.8995 15.7459 15.7459 16.2865 16.2865 16.7439 16.7439 k = 0.3472 0.5533-0.0000 ( 1148 PWs) bands (ev): 2.0791 2.0791 2.2229 2.2229 2.2562 2.2562 2.2773 2.2773 2.7835 2.7835 2.8685 2.8685 2.9956 2.9956 3.1025 3.1025 3.2479 3.2479 3.3496 3.3496 11.4943 11.4943 11.6295 11.6295 12.6670 12.6670 15.8599 15.8599 16.3698 16.3698 16.8570 16.8570 k = 0.3426 0.5613-0.0000 ( 1156 PWs) bands (ev): 2.0802 2.0802 2.2318 2.2318 2.2563 2.2563 2.2772 2.2772 2.7863 2.7863 2.8595 2.8595 3.0066 3.0066 3.0900 3.0900 3.2511 3.2511 3.3428 3.3428 11.5897 11.5897 11.7384 11.7384 12.4437 12.4437 15.9699 15.9699 16.4519 16.4519 16.9661 16.9661 k = 0.3380 0.5693-0.0000 ( 1156 PWs) bands (ev): 2.0809 2.0809 2.2371 2.2371 2.2565 2.2565 2.2769 2.2769 2.7886 2.7886 2.8536 2.8536 3.0150 3.0150 3.0809 3.0809 3.2535 3.2535 3.3382 3.3382 11.6859 11.6859 11.8265 11.8265 12.2477 12.2477 16.0649 16.0649 16.5218 16.5218 16.8424 16.8424 k = 0.3333 0.5774-0.0000 ( 1152 PWs) bands (ev): 2.0811 2.0811 2.2387 2.2387 2.2568 2.2568 2.2768 2.2768 2.7895 2.7895 2.8515 2.8515 3.0184 3.0184 3.0774 3.0774 3.2544 3.2544 3.3365 3.3365 11.7582 11.7582 11.8406 11.8406 12.1574 12.1574 16.1112 16.1112 16.5463 16.5463 16.7700 16.7700 k = 0.3333 0.5774-0.0000 ( 1152 PWs) bands (ev): 2.0811 2.0811 2.2387 2.2387 2.2568 2.2568 2.2768 2.2768 2.7895 2.7895 2.8515 2.8515 3.0184 3.0184 3.0774 3.0774 3.2544 3.2544 3.3365 3.3365 11.7582 11.7582 11.8406 11.8406 12.1574 12.1574 16.1112 16.1112 16.5463 16.5463 16.7700 16.7700 k = 0.3286 0.5692-0.0000 ( 1152 PWs) bands (ev): 2.0809 2.0809 2.2374 2.2374 2.2563 2.2563 2.2769 2.2769 2.7885 2.7885 2.8537 2.8537 3.0152 3.0152 3.0807 3.0807 3.2534 3.2534 3.3383 3.3383 11.6296 11.6296 11.9118 11.9118 12.2189 12.2189 16.0463 16.0463 16.5672 16.5672 16.8138 16.8138 k = 0.3239 0.5611-0.0000 ( 1156 PWs) bands (ev): 2.0803 2.0803 2.2341 2.2341 2.2547 2.2547 2.2772 2.2772 2.7859 2.7859 2.8597 2.8597 3.0075 3.0075 3.0882 3.0882 3.2504 3.2504 3.3437 3.3437 11.4208 11.4208 12.0191 12.0191 12.3326 12.3326 15.8842 15.8842 16.6516 16.6516 16.8558 16.8558 k = 0.3192 0.5530-0.0000 ( 1152 PWs) bands (ev): 2.0795 2.0795 2.2294 2.2294 2.2521 2.2521 2.2771 2.2771 2.7823 2.7823 2.8687 2.8687 2.9980 2.9980 3.0971 3.0971 3.2460 3.2460 3.3522 3.3522 11.1995 11.1995 12.1325 12.1325 12.4610 12.4610 15.6845 15.6845 16.7446 16.7446 16.7781 16.7781 k = 0.3146 0.5448-0.0000 ( 1144 PWs) bands (ev): 2.0784 2.0784 2.2234 2.2234 2.2490 2.2490 2.2767 2.2767 2.7785 2.7785 2.8794 2.8794 2.9883 2.9883 3.1057 3.1057 3.2409 3.2409 3.3631 3.3631 10.9756 10.9756 12.2500 12.2500 12.5962 12.5962 15.4725 15.4725 16.5986 16.5986 16.9033 16.9033 k = 0.3099 0.5367-0.0000 ( 1148 PWs) bands (ev): 2.0771 2.0771 2.2166 2.2166 2.2452 2.2452 2.2760 2.2760 2.7749 2.7749 2.8910 2.8910 2.9791 2.9791 3.1131 3.1131 3.2358 3.2358 3.3758 3.3758 10.7518 10.7518 12.3714 12.3714 12.7359 12.7359 15.2569 15.2569 16.4354 16.4354 17.0424 17.0424 k = 0.3052 0.5286-0.0000 ( 1148 PWs) bands (ev): 2.0756 2.0756 2.2091 2.2091 2.2407 2.2407 2.2750 2.2750 2.7715 2.7715 2.9022 2.9022 2.9714 2.9714 3.1187 3.1187 3.2313 3.2313 3.3895 3.3895 10.5292 10.5292 12.4964 12.4964 12.8792 12.8792 15.0411 15.0411 16.2666 16.2666 17.1863 17.1863 k = 0.3005 0.5204-0.0000 ( 1146 PWs) bands (ev): 2.0742 2.0742 2.2013 2.2013 2.2356 2.2356 2.2741 2.2741 2.7686 2.7686 2.9117 2.9117 2.9664 2.9664 3.1223 3.1223 3.2280 3.2280 3.4040 3.4040 10.3083 10.3083 12.6250 12.6250 13.0257 13.0257 14.8268 14.8268 16.0945 16.0945 17.3333 17.3333 k = 0.2958 0.5123-0.0000 ( 1150 PWs) bands (ev): 2.0727 2.0727 2.1932 2.1932 2.2299 2.2299 2.2732 2.2732 2.7660 2.7660 2.9170 2.9170 2.9664 2.9664 3.1236 3.1236 3.2261 3.2261 3.4188 3.4188 10.0894 10.0894 12.7570 12.7570 13.1749 13.1749 14.6152 14.6152 15.9202 15.9202 17.4826 17.4826 k = 0.2911 0.5042-0.0000 ( 1148 PWs) bands (ev): 2.0712 2.0712 2.1851 2.1851 2.2237 2.2237 2.2725 2.2725 2.7637 2.7637 2.9170 2.9170 2.9722 2.9722 3.1226 3.1226 3.2259 3.2259 3.4335 3.4335 9.8727 9.8727 12.8922 12.8922 13.3266 13.3266 14.4073 14.4073 15.7446 15.7446 17.6339 17.6339 k = 0.2864 0.4960-0.0000 ( 1140 PWs) bands (ev): 2.0698 2.0698 2.1771 2.1771 2.2171 2.2171 2.2720 2.2720 2.7615 2.7615 2.9134 2.9134 2.9820 2.9820 3.1195 3.1195 3.2271 3.2271 3.4479 3.4479 9.6583 9.6583 13.0299 13.0299 13.4800 13.4800 14.2047 14.2047 15.5684 15.5684 17.7868 17.7868 k = 0.2817 0.4879-0.0000 ( 1140 PWs) bands (ev): 2.0685 2.0685 2.1695 2.1695 2.2103 2.2103 2.2716 2.2716 2.7595 2.7595 2.9083 2.9083 2.9935 2.9935 3.1149 3.1149 3.2295 3.2295 3.4616 3.4616 9.4463 9.4463 13.1684 13.1684 13.6319 13.6319 14.0126 14.0126 15.3922 15.3922 17.9414 17.9414 k = 0.2770 0.4798-0.0000 ( 1140 PWs) bands (ev): 2.0673 2.0673 2.1622 2.1622 2.2033 2.2033 2.2714 2.2714 2.7574 2.7574 2.9029 2.9029 3.0056 3.0056 3.1092 3.1092 3.2328 3.2328 3.4745 3.4745 9.2368 9.2368 13.3017 13.3017 13.7403 13.7403 13.8790 13.8790 15.2165 15.2165 18.0979 18.0979 k = 0.2723 0.4716-0.0000 ( 1144 PWs) bands (ev): 2.0661 2.0661 2.1555 2.1555 2.1963 2.1963 2.2714 2.2714 2.7551 2.7551 2.8977 2.8977 3.0176 3.0176 3.1026 3.1026 3.2367 3.2367 3.4863 3.4863 9.0299 9.0299 13.3932 13.3932 13.6618 13.6618 13.9837 13.9837 15.0419 15.0419 18.2564 18.2564 k = 0.2676 0.4635-0.0000 ( 1140 PWs) bands (ev): 2.0651 2.0651 2.1494 2.1494 2.1895 2.1895 2.2714 2.2714 2.7526 2.7526 2.8929 2.8929 3.0291 3.0291 3.0957 3.0957 3.2409 3.2409 3.4969 3.4969 8.8256 8.8256 13.3235 13.3235 13.6999 13.6999 14.1419 14.1419 14.8695 14.8695 18.4174 18.4174 k = 0.2629 0.4554-0.0000 ( 1144 PWs) bands (ev): 2.0640 2.0640 2.1441 2.1441 2.1829 2.1829 2.2716 2.2716 2.7497 2.7497 2.8887 2.8887 3.0400 3.0400 3.0887 3.0887 3.2453 3.2453 3.5061 3.5061 8.6240 8.6240 13.1612 13.1612 13.8333 13.8333 14.3032 14.3032 14.7027 14.7027 18.5809 18.5809 k = 0.2582 0.4472-0.0000 ( 1144 PWs) bands (ev): 2.0630 2.0630 2.1396 2.1396 2.1767 2.1767 2.2719 2.2719 2.7464 2.7464 2.8850 2.8850 3.0500 3.0500 3.0818 3.0818 3.2498 3.2498 3.5138 3.5138 8.4251 8.4251 12.9846 12.9846 13.9853 13.9853 14.4293 14.4293 14.5783 14.5783 18.7473 18.7473 k = 0.2535 0.4391-0.0000 ( 1142 PWs) bands (ev): 2.0619 2.0619 2.1360 2.1360 2.1709 2.1709 2.2723 2.2723 2.7427 2.7427 2.8819 2.8819 3.0588 3.0588 3.0758 3.0758 3.2544 3.2544 3.5199 3.5199 8.2290 8.2290 12.8070 12.8070 14.1335 14.1335 14.3461 14.3461 14.6801 14.6801 18.9166 18.9166 k = 0.2488 0.4310-0.0000 ( 1152 PWs) bands (ev): 2.0607 2.0607 2.1332 2.1332 2.1658 2.1658 2.2728 2.2728 2.7385 2.7385 2.8793 2.8793 3.0633 3.0633 3.0734 3.0734 3.2588 3.2588 3.5243 3.5243 8.0357 8.0357 12.6315 12.6315 14.1322 14.1322 14.3543 14.3543 14.8498 14.8498 19.0891 19.0891 k = 0.2441 0.4228-0.0000 ( 1142 PWs) bands (ev): 2.0595 2.0595 2.1311 2.1311 2.1614 2.1614 2.2734 2.2734 2.7339 2.7339 2.8771 2.8771 3.0600 3.0600 3.0785 3.0785 3.2632 3.2632 3.5270 3.5270 7.8452 7.8452 12.4591 12.4591 13.9806 13.9806 14.5136 14.5136 15.0279 15.0279 19.2646 19.2646 k = 0.2394 0.4147-0.0000 ( 1141 PWs) bands (ev): 2.0583 2.0583 2.1295 2.1295 2.1581 2.1581 2.2740 2.2740 2.7290 2.7290 2.8751 2.8751 3.0552 3.0552 3.0849 3.0849 3.2675 3.2675 3.5279 3.5279 7.6577 7.6577 12.2903 12.2903 13.8174 13.8174 14.6890 14.6890 15.2102 15.2102 19.4434 19.4434 k = 0.2347 0.4066-0.0000 ( 1141 PWs) bands (ev): 2.0570 2.0570 2.1282 2.1282 2.1559 2.1559 2.2747 2.2747 2.7238 2.7238 2.8732 2.8732 3.0507 3.0507 3.0907 3.0907 3.2716 3.2716 3.5270 3.5270 7.4732 7.4732 12.1254 12.1254 13.6531 13.6531 14.8705 14.8705 15.3958 15.3958 19.6254 19.6254 k = 0.2300 0.3985-0.0000 ( 1141 PWs) bands (ev): 2.0559 2.0559 2.1269 2.1269 2.1553 2.1553 2.2754 2.2754 2.7184 2.7184 2.8714 2.8714 3.0469 3.0469 3.0958 3.0958 3.2757 3.2757 3.5242 3.5242 7.2916 7.2916 11.9647 11.9647 13.4895 13.4895 15.0568 15.0568 15.5844 15.5844 19.8105 19.8105 k = 0.2254 0.3903-0.0000 ( 1149 PWs) bands (ev): 2.0548 2.0548 2.1254 2.1254 2.1561 2.1561 2.2761 2.2761 2.7130 2.7130 2.8695 2.8695 3.0438 3.0438 3.1000 3.1000 3.2796 3.2796 3.5196 3.5196 7.1131 7.1131 11.8082 11.8082 13.3271 13.3271 15.2471 15.2471 15.7758 15.7758 19.9988 19.9988 k = 0.2207 0.3822-0.0000 ( 1149 PWs) bands (ev): 2.0539 2.0539 2.1237 2.1237 2.1584 2.1584 2.2768 2.2768 2.7076 2.7076 2.8675 2.8675 3.0415 3.0415 3.1034 3.1034 3.2835 3.2835 3.5131 3.5131 6.9376 6.9376 11.6560 11.6560 13.1663 13.1663 15.4414 15.4414 15.9700 15.9700 20.1901 20.1901 k = 0.2160 0.3741-0.0000 ( 1149 PWs) bands (ev): 2.0532 2.0532 2.1220 2.1220 2.1618 2.1618 2.2774 2.2774 2.7024 2.7024 2.8654 2.8654 3.0401 3.0401 3.1059 3.1059 3.2873 3.2873 3.5048 3.5048 6.7653 6.7653 11.5082 11.5082 13.0071 13.0071 15.6395 15.6395 16.1669 16.1669 20.3844 20.3844 k = 0.2113 0.3659-0.0000 ( 1145 PWs) bands (ev): 2.0528 2.0528 2.1204 2.1204 2.1661 2.1661 2.2780 2.2780 2.6974 2.6974 2.8631 2.8631 3.0394 3.0394 3.1077 3.1077 3.2910 3.2910 3.4948 3.4948 6.5961 6.5961 11.3648 11.3648 12.8497 12.8497 15.8412 15.8412 16.3664 16.3664 20.5815 20.5815 k = 0.2066 0.3578-0.0000 ( 1145 PWs) bands (ev): 2.0526 2.0526 2.1189 2.1189 2.1710 2.1710 2.2785 2.2785 2.6928 2.6928 2.8607 2.8607 3.0393 3.0393 3.1087 3.1087 3.2947 3.2947 3.4830 3.4830 6.4301 6.4301 11.2260 11.2260 12.6942 12.6942 16.0465 16.0465 16.5684 16.5684 20.7813 20.7813 k = 0.2019 0.3497-0.0000 ( 1145 PWs) bands (ev): 2.0527 2.0527 2.1177 2.1177 2.1764 2.1764 2.2788 2.2788 2.6888 2.6888 2.8582 2.8582 3.0398 3.0398 3.1090 3.1090 3.2984 3.2984 3.4696 3.4696 6.2674 6.2674 11.0915 11.0915 12.5405 12.5405 16.2552 16.2552 16.7730 16.7730 20.9837 20.9837 k = 0.1972 0.3415-0.0000 ( 1145 PWs) bands (ev): 2.0531 2.0531 2.1168 2.1168 2.1821 2.1821 2.2790 2.2790 2.6853 2.6853 2.8557 2.8557 3.0406 3.0406 3.1088 3.1088 3.3020 3.3020 3.4546 3.4546 6.1079 6.1079 10.9616 10.9616 12.3889 12.3889 16.4674 16.4674 16.9801 16.9801 21.1884 21.1884 k = 0.1925 0.3334-0.0000 ( 1153 PWs) bands (ev): 2.0537 2.0537 2.1161 2.1161 2.1879 2.1879 2.2790 2.2790 2.6827 2.6827 2.8533 2.8533 3.0417 3.0417 3.1081 3.1081 3.3056 3.3056 3.4382 3.4382 5.9518 5.9518 10.8362 10.8362 12.2393 12.2393 16.6828 16.6828 17.1896 17.1896 21.3952 21.3952 k = 0.1878 0.3253-0.0000 ( 1157 PWs) bands (ev): 2.0545 2.0545 2.1157 2.1157 2.1936 2.1936 2.2788 2.2788 2.6809 2.6809 2.8511 2.8511 3.0427 3.0427 3.1072 3.1072 3.3091 3.3091 3.4205 3.4205 5.7991 5.7991 10.7152 10.7153 12.0918 12.0918 16.9015 16.9015 17.4016 17.4016 21.6037 21.6037 k = 0.1831 0.3171-0.0000 ( 1157 PWs) bands (ev): 2.0554 2.0554 2.1155 2.1155 2.1990 2.1990 2.2785 2.2785 2.6802 2.6802 2.8491 2.8491 3.0435 3.0435 3.1063 3.1063 3.3124 3.3124 3.4017 3.4017 5.6497 5.6497 10.5988 10.5988 11.9464 11.9464 17.1233 17.1233 17.6159 17.6159 21.8135 21.8135 k = 0.1784 0.3090-0.0000 ( 1157 PWs) bands (ev): 2.0564 2.0564 2.1155 2.1155 2.2041 2.2041 2.2779 2.2779 2.6806 2.6806 2.8473 2.8473 3.0438 3.0438 3.1056 3.1056 3.3154 3.3154 3.3822 3.3822 5.5039 5.5039 10.4867 10.4867 11.8032 11.8032 17.3482 17.3482 17.8325 17.8325 22.0241 22.0241 k = 0.1737 0.3009-0.0000 ( 1157 PWs) bands (ev): 2.0575 2.0575 2.1158 2.1158 2.2087 2.2087 2.2771 2.2771 2.6824 2.6824 2.8459 2.8459 3.0433 3.0433 3.1053 3.1053 3.3173 3.3173 3.3628 3.3628 5.3615 5.3615 10.3790 10.3790 11.6622 11.6622 17.5761 17.5761 18.0513 18.0513 22.2346 22.2346 k = 0.1690 0.2927-0.0000 ( 1157 PWs) bands (ev): 2.0584 2.0584 2.1161 2.1161 2.2126 2.2126 2.2761 2.2761 2.6854 2.6854 2.8449 2.8449 3.0419 3.0419 3.1055 3.1055 3.3156 3.3156 3.3462 3.3462 5.2226 5.2226 10.2757 10.2757 11.5235 11.5235 17.8069 17.8069 18.2724 18.2724 22.4439 22.4439 k = 0.1643 0.2846-0.0000 ( 1153 PWs) bands (ev): 2.0592 2.0592 2.1166 2.1166 2.2158 2.2158 2.2750 2.2750 2.6900 2.6900 2.8443 2.8443 3.0395 3.0395 3.1064 3.1064 3.3044 3.3044 3.3387 3.3387 5.0874 5.0874 10.1766 10.1766 11.3871 11.3871 18.0405 18.0405 18.4957 18.4957 22.6504 22.6504 k = 0.1596 0.2765-0.0000 ( 1153 PWs) bands (ev): 2.0596 2.0596 2.1172 2.1172 2.2183 2.2183 2.2736 2.2736 2.6960 2.6960 2.8440 2.8440 3.0362 3.0362 3.1077 3.1077 3.2853 3.2853 3.3387 3.3387 4.9558 4.9558 10.0818 10.0818 11.2531 11.2531 18.2769 18.2769 18.7211 18.7211 22.8516 22.8516 k = 0.1549 0.2683-0.0000 ( 1153 PWs) bands (ev): 2.0596 2.0596 2.1179 2.1179 2.2199 2.2199 2.2721 2.2721 2.7035 2.7035 2.8441 2.8441 3.0321 3.0321 3.1091 3.1091 3.2640 3.2640 3.3411 3.3411 4.8279 4.8279 9.9911 9.9911 11.1215 11.1215 18.5159 18.5159 18.9486 18.9486 23.0434 23.0434 k = 0.1502 0.2602-0.0000 ( 1147 PWs) bands (ev): 2.0590 2.0590 2.1186 2.1186 2.2209 2.2209 2.2704 2.2704 2.7124 2.7124 2.8446 2.8446 3.0274 3.0274 3.1104 3.1104 3.2427 3.2427 3.3443 3.3443 4.7037 4.7037 9.9044 9.9044 10.9924 10.9924 18.7574 18.7574 19.1781 19.1781 23.2195 23.2195 k = 0.1455 0.2521-0.0000 ( 1147 PWs) bands (ev): 2.0577 2.0577 2.1193 2.1193 2.2212 2.2212 2.2684 2.2684 2.7228 2.7228 2.8454 2.8454 3.0223 3.0223 3.1106 3.1106 3.2224 3.2224 3.3478 3.3478 4.5832 4.5832 9.8218 9.8218 10.8658 10.8658 19.0014 19.0014 19.4096 19.4096 23.3707 23.3707 k = 0.1408 0.2440-0.0000 ( 1149 PWs) bands (ev): 2.0555 2.0555 2.1200 2.1200 2.2210 2.2210 2.2662 2.2662 2.7344 2.7344 2.8464 2.8464 3.0169 3.0169 3.1089 3.1089 3.2046 3.2046 3.3514 3.3514 4.4666 4.4666 9.7430 9.7430 10.7418 10.7418 19.2478 19.2478 19.6430 19.6430 23.4859 23.4859 k = 0.1362 0.2358-0.0000 ( 1145 PWs) bands (ev): 2.0523 2.0523 2.1207 2.1207 2.2203 2.2203 2.2638 2.2638 2.7472 2.7472 2.8475 2.8475 3.0114 3.0114 3.1038 3.1038 3.1909 3.1909 3.3551 3.3551 4.3539 4.3539 9.6681 9.6681 10.6205 10.6205 19.4964 19.4964 19.8783 19.8783 23.5569 23.5569 k = 0.1315 0.2277-0.0000 ( 1145 PWs) bands (ev): 2.0481 2.0481 2.1213 2.1213 2.2194 2.2194 2.2611 2.2611 2.7609 2.7609 2.8487 2.8487 3.0060 3.0060 3.0944 3.0944 3.1823 3.1823 3.3589 3.3589 4.2451 4.2451 9.5968 9.5968 10.5018 10.5018 19.7472 19.7472 20.1154 20.1154 23.5835 23.5835 k = 0.1268 0.2196-0.0000 ( 1149 PWs) bands (ev): 2.0426 2.0426 2.1217 2.1217 2.2183 2.2183 2.2581 2.2581 2.7752 2.7752 2.8499 2.8499 3.0008 3.0008 3.0812 3.0812 3.1788 3.1788 3.3628 3.3628 4.1404 4.1404 9.5292 9.5292 10.3860 10.3860 20.0001 20.0001 20.3543 20.3543 23.5736 23.5736 k = 0.1221 0.2114-0.0000 ( 1157 PWs) bands (ev): 2.0360 2.0360 2.1219 2.1219 2.2170 2.2170 2.2550 2.2550 2.7898 2.7898 2.8510 2.8510 2.9958 2.9958 3.0661 3.0661 3.1787 3.1787 3.3667 3.3667 4.0396 4.0396 9.4651 9.4651 10.2731 10.2731 20.2549 20.2549 20.5948 20.5948 23.5378 23.5378 k = 0.1174 0.2033-0.0000 ( 1157 PWs) bands (ev): 2.0283 2.0283 2.1218 2.1218 2.2157 2.2157 2.2516 2.2516 2.8044 2.8044 2.8518 2.8518 2.9911 2.9911 3.0509 3.0509 3.1808 3.1808 3.3707 3.3707 3.9430 3.9430 9.4043 9.4043 10.1630 10.1630 20.5115 20.5115 20.8370 20.8370 23.4852 23.4852 k = 0.1127 0.1952-0.0000 ( 1159 PWs) bands (ev): 2.0195 2.0195 2.1214 2.1214 2.2142 2.2142 2.2482 2.2482 2.8182 2.8182 2.8524 2.8524 2.9867 2.9867 3.0370 3.0370 3.1842 3.1842 3.3748 3.3748 3.8506 3.8506 9.3469 9.3469 10.0560 10.0560 20.7699 20.7699 21.0807 21.0807 23.4223 23.4223 k = 0.1080 0.1870-0.0000 ( 1155 PWs) bands (ev): 2.0096 2.0096 2.1205 2.1205 2.2126 2.2126 2.2447 2.2447 2.8305 2.8305 2.8527 2.8527 2.9825 2.9825 3.0257 3.0257 3.1884 3.1884 3.3789 3.3789 3.7625 3.7625 9.2927 9.2927 9.9521 9.9521 21.0298 21.0298 21.3258 21.3258 23.3535 23.3535 k = 0.1033 0.1789-0.0000 ( 1155 PWs) bands (ev): 1.9989 1.9989 2.1191 2.1191 2.2108 2.2108 2.2413 2.2413 2.8400 2.8400 2.8528 2.8528 2.9790 2.9790 3.0179 3.0179 3.1930 3.1930 3.3832 3.3832 3.6787 3.6787 9.2416 9.2416 9.8515 9.8515 21.2911 21.2911 21.5722 21.5722 23.2820 23.2820 k = 0.0986 0.1708-0.0000 ( 1155 PWs) bands (ev): 1.9873 1.9873 2.1171 2.1171 2.2088 2.2088 2.2379 2.2379 2.8456 2.8456 2.8531 2.8531 2.9769 2.9769 3.0139 3.0139 3.1977 3.1977 3.3877 3.3877 3.5994 3.5994 9.1936 9.1936 9.7541 9.7541 21.5537 21.5537 21.8195 21.8195 23.2100 23.2100 k = 0.0939 0.1626-0.0000 ( 1155 PWs) bands (ev): 1.9751 1.9751 2.1145 2.1145 2.2066 2.2066 2.2347 2.2347 2.8469 2.8469 2.8530 2.8530 2.9766 2.9766 3.0138 3.0138 3.2023 3.2023 3.3922 3.3922 3.5249 3.5249 9.1484 9.1484 9.6601 9.6601 21.8173 21.8173 22.0671 22.0671 23.1392 23.1392 k = 0.0892 0.1545-0.0000 ( 1155 PWs) bands (ev): 1.9623 1.9623 2.1112 2.1112 2.2042 2.2042 2.2317 2.2317 2.8459 2.8459 2.8510 2.8510 2.9780 2.9780 3.0175 3.0175 3.2066 3.2066 3.3968 3.3968 3.4555 3.4555 9.1061 9.1061 9.5696 9.5696 22.0817 22.0817 22.3137 22.3137 23.0721 23.0721 k = 0.0845 0.1464-0.0000 ( 1155 PWs) bands (ev): 1.9491 1.9491 2.1073 2.1073 2.2015 2.2015 2.2288 2.2288 2.8431 2.8431 2.8476 2.8476 2.9798 2.9798 3.0248 3.0248 3.2099 3.2099 3.3890 3.3890 3.4043 3.4043 9.0665 9.0665 9.4827 9.4827 22.3466 22.3466 22.5542 22.5542 23.0145 23.0145 k = 0.0798 0.1382-0.0000 ( 1155 PWs) bands (ev): 1.9357 1.9357 2.1026 2.1026 2.1987 2.1987 2.2261 2.2261 2.8376 2.8376 2.8447 2.8447 2.9811 2.9811 3.0353 3.0353 3.2111 3.2111 3.3333 3.3333 3.4081 3.4081 9.0295 9.0295 9.3995 9.3995 22.6107 22.6107 22.7576 22.7576 22.9986 22.9986 k = 0.0751 0.1301-0.0000 ( 1159 PWs) bands (ev): 1.9221 1.9221 2.0974 2.0974 2.1958 2.1958 2.2236 2.2236 2.8306 2.8306 2.8424 2.8424 2.9814 2.9814 3.0478 3.0478 3.2066 3.2066 3.2869 3.2869 3.4136 3.4136 8.9951 8.9951 9.3202 9.3202 22.7959 22.7959 22.8865 22.8865 23.1401 23.1401 k = 0.0704 0.1220-0.0000 ( 1163 PWs) bands (ev): 1.9085 1.9085 2.0915 2.0915 2.1929 2.1929 2.2211 2.2211 2.8232 2.8232 2.8402 2.8402 2.9803 2.9803 3.0615 3.0615 3.1879 3.1879 3.2598 3.2598 3.4194 3.4194 8.9632 8.9632 9.2448 9.2448 22.7616 22.7616 23.1469 23.1469 23.3736 23.3736 k = 0.0657 0.1138-0.0000 ( 1163 PWs) bands (ev): 1.8950 1.8950 2.0851 2.0851 2.1899 2.1899 2.2187 2.2187 2.8160 2.8160 2.8380 2.8380 2.9769 2.9769 3.0756 3.0756 3.1566 3.1566 3.2515 3.2515 3.4256 3.4256 8.9337 8.9337 9.1735 9.1735 22.7107 22.7107 23.4114 23.4114 23.6231 23.6231 k = 0.0610 0.1057-0.0000 ( 1163 PWs) bands (ev): 1.8818 1.8818 2.0783 2.0783 2.1869 2.1869 2.2164 2.2164 2.8092 2.8092 2.8360 2.8360 2.9702 2.9702 3.0894 3.0894 3.1252 3.1252 3.2505 3.2505 3.4321 3.4321 8.9066 8.9066 9.1064 9.1064 22.6588 22.6588 23.6753 23.6753 23.8771 23.8771 k = 0.0563 0.0976-0.0000 ( 1163 PWs) bands (ev): 1.8690 1.8690 2.0712 2.0712 2.1841 2.1841 2.2141 2.2141 2.8030 2.8030 2.8340 2.8340 2.9592 2.9592 3.0947 3.0947 3.1079 3.1079 3.2516 3.2516 3.4387 3.4388 8.8817 8.8817 9.0436 9.0436 22.6088 22.6088 23.9379 23.9379 24.1330 24.1330 k = 0.0516 0.0894-0.0000 ( 1163 PWs) bands (ev): 1.8568 1.8568 2.0639 2.0639 2.1814 2.1814 2.2119 2.2119 2.7974 2.7974 2.8322 2.8322 2.9434 2.9434 3.0788 3.0788 3.1189 3.1189 3.2531 3.2531 3.4456 3.4456 8.8590 8.8590 8.9853 8.9853 22.5618 22.5618 24.1986 24.1986 24.3893 24.3893 k = 0.0469 0.0813-0.0000 ( 1163 PWs) bands (ev): 1.8451 1.8451 2.0565 2.0565 2.1788 2.1788 2.2097 2.2097 2.7925 2.7925 2.8304 2.8304 2.9241 2.9241 3.0674 3.0674 3.1315 3.1315 3.2547 3.2547 3.4524 3.4524 8.8385 8.8385 8.9315 8.9315 22.5183 22.5183 24.4564 24.4564 24.6451 24.6451 k = 0.0423 0.0732-0.0000 ( 1163 PWs) bands (ev): 1.8343 1.8343 2.0492 2.0492 2.1763 2.1763 2.2077 2.2077 2.7883 2.7883 2.8287 2.8287 2.9034 2.9034 3.0607 3.0607 3.1436 3.1436 3.2559 3.2559 3.4592 3.4592 8.8201 8.8201 8.8825 8.8825 22.4784 22.4784 24.7106 24.7106 24.8993 24.8993 k = 0.0376 0.0651-0.0000 ( 1159 PWs) bands (ev): 1.8243 1.8243 2.0422 2.0422 2.1741 2.1741 2.2057 2.2057 2.7846 2.7846 2.8270 2.8270 2.8831 2.8831 3.0570 3.0570 3.1549 3.1549 3.2567 3.2567 3.4657 3.4657 8.8037 8.8037 8.8382 8.8382 22.4424 22.4424 24.9597 24.9597 25.1503 25.1503 k = 0.0329 0.0569-0.0000 ( 1161 PWs) bands (ev): 1.8152 1.8152 2.0356 2.0356 2.1721 2.1721 2.2039 2.2039 2.7816 2.7816 2.8252 2.8252 2.8646 2.8646 3.0550 3.0550 3.1653 3.1653 3.2571 3.2571 3.4720 3.4720 8.7893 8.7893 8.7990 8.7990 22.4104 22.4104 25.2022 25.2022 25.3956 25.3956 k = 0.0282 0.0488-0.0000 ( 1165 PWs) bands (ev): 1.8072 1.8072 2.0295 2.0295 2.1703 2.1703 2.2023 2.2023 2.7791 2.7791 2.8226 2.8226 2.8491 2.8491 3.0541 3.0541 3.1747 3.1747 3.2570 3.2570 3.4777 3.4777 8.7644 8.7644 8.7772 8.7772 22.3826 22.3826 25.4353 25.4353 25.6314 25.6314 k = 0.0235 0.0407-0.0000 ( 1169 PWs) bands (ev): 1.8002 1.8002 2.0241 2.0241 2.1688 2.1688 2.2009 2.2009 2.7771 2.7771 2.8182 2.8182 2.8379 2.8379 3.0537 3.0537 3.1831 3.1831 3.2566 3.2566 3.4828 3.4828 8.7353 8.7353 8.7668 8.7668 22.3589 22.3589 25.6548 25.6548 25.8502 25.8502 k = 0.0188 0.0325-0.0000 ( 1169 PWs) bands (ev): 1.7945 1.7945 2.0195 2.0195 2.1675 2.1675 2.1997 2.1997 2.7755 2.7755 2.8112 2.8112 2.8320 2.8320 3.0537 3.0537 3.1903 3.1903 3.2558 3.2558 3.4872 3.4872 8.7113 8.7113 8.7583 8.7583 22.3394 22.3394 25.8534 25.8534 26.0390 26.0390 k = 0.0141 0.0244-0.0000 ( 1169 PWs) bands (ev): 1.7900 1.7900 2.0158 2.0158 2.1665 2.1665 2.1987 2.1987 2.7745 2.7745 2.8037 2.8037 2.8294 2.8294 3.0537 3.0537 3.1963 3.1963 3.2549 3.2549 3.4908 3.4908 8.6925 8.6925 8.7517 8.7517 22.3243 22.3243 26.0175 26.0175 26.1829 26.1829 k = 0.0094 0.0163-0.0000 ( 1169 PWs) bands (ev): 1.7867 1.7867 2.0131 2.0131 2.1657 2.1657 2.1980 2.1980 2.7738 2.7738 2.7976 2.7976 2.8282 2.8282 3.0539 3.0539 3.2008 3.2008 3.2539 3.2539 3.4933 3.4933 8.6791 8.6791 8.7471 8.7471 22.3134 22.3134 26.1263 26.1263 26.2878 26.2878 k = 0.0047 0.0081-0.0000 ( 1161 PWs) bands (ev): 1.7847 1.7847 2.0114 2.0114 2.1653 2.1653 2.1976 2.1976 2.7735 2.7735 2.7938 2.7938 2.8276 2.8276 3.0539 3.0539 3.2036 3.2036 3.2533 3.2533 3.4949 3.4949 8.6710 8.6710 8.7443 8.7443 22.3069 22.3069 26.1766 26.1766 26.3634 26.3634 k = 0.0000 0.0000 0.0000 ( 1161 PWs) bands (ev): 1.7841 1.7841 2.0108 2.0108 2.1651 2.1651 2.1975 2.1975 2.7734 2.7734 2.7925 2.7925 2.8274 2.8274 3.0540 3.0540 3.2046 3.2046 3.2530 3.2530 3.4955 3.4955 8.6683 8.6683 8.7433 8.7433 22.3047 22.3047 26.1900 26.1900 26.3922 26.3922 k = 0.0000 0.0000 0.0000 ( 1161 PWs) bands (ev): 1.7841 1.7841 2.0108 2.0108 2.1651 2.1651 2.1975 2.1975 2.7734 2.7734 2.7925 2.7925 2.8274 2.8274 3.0540 3.0540 3.2046 3.2046 3.2530 3.2530 3.4955 3.4955 8.6683 8.6683 8.7433 8.7433 22.3047 22.3047 26.1900 26.1900 26.3922 26.3922 k = 0.0000 0.0000 0.0091 ( 1161 PWs) bands (ev): 1.7842 1.7842 2.0107 2.0107 2.1651 2.1651 2.1974 2.1974 2.7731 2.7731 2.7942 2.7942 2.8273 2.8273 3.0546 3.0546 3.2045 3.2045 3.2532 3.2532 3.4953 3.4953 8.5083 8.5083 8.9063 8.9063 22.2816 22.2816 26.1907 26.1907 26.3934 26.3934 k = 0.0000 0.0000 0.0183 ( 1161 PWs) bands (ev): 1.7848 1.7848 2.0102 2.0102 2.1651 2.1651 2.1973 2.1973 2.7723 2.7723 2.7991 2.7991 2.8269 2.8269 3.0563 3.0563 3.2043 3.2043 3.2538 3.2538 3.4948 3.4948 8.3190 8.3190 9.1044 9.1044 22.2136 22.2136 26.1923 26.1923 26.3971 26.3971 k = 0.0000 0.0000 0.0274 ( 1161 PWs) bands (ev): 1.7856 1.7856 2.0094 2.0094 2.1651 2.1651 2.1971 2.1971 2.7714 2.7714 2.8068 2.8068 2.8263 2.8263 3.0593 3.0593 3.2039 3.2039 3.2548 3.2548 3.4941 3.4941 8.1316 8.1316 9.3064 9.3064 22.1048 22.1048 26.1943 26.1943 26.4033 26.4033 k = 0.0000 0.0000 0.0366 ( 1161 PWs) bands (ev): 1.7868 1.7868 2.0084 2.0084 2.1651 2.1651 2.1968 2.1968 2.7705 2.7705 2.8172 2.8172 2.8254 2.8254 3.0637 3.0637 3.2033 3.2033 3.2562 3.2562 3.4930 3.4930 7.9468 7.9468 9.5117 9.5117 21.9607 21.9607 26.1965 26.1965 26.4120 26.4120 k = 0.0000 0.0000 0.0457 ( 1155 PWs) bands (ev): 1.7884 1.7884 2.0070 2.0070 2.1651 2.1651 2.1965 2.1965 2.7696 2.7696 2.8243 2.8243 2.8301 2.8301 3.0695 3.0695 3.2026 3.2026 3.2580 3.2580 3.4916 3.4916 7.7650 7.7650 9.7199 9.7199 21.7872 21.7872 26.1986 26.1986 26.4231 26.4231 k = 0.0000 0.0000 0.0549 ( 1167 PWs) bands (ev): 1.7902 1.7902 2.0053 2.0053 2.1651 2.1651 2.1960 2.1960 2.7686 2.7686 2.8230 2.8230 2.8453 2.8453 3.0770 3.0770 3.2017 3.2017 3.2602 3.2602 3.4899 3.4899 7.5861 7.5861 9.9309 9.9309 21.5901 21.5901 26.2008 26.2008 26.4366 26.4366 k = 0.0000 0.0000 0.0640 ( 1167 PWs) bands (ev): 1.7924 1.7924 2.0033 2.0033 2.1651 2.1651 2.1955 2.1955 2.7677 2.7677 2.8215 2.8215 2.8624 2.8624 3.0865 3.0865 3.2006 3.2006 3.2627 3.2627 3.4879 3.4879 7.4103 7.4103 10.1448 10.1448 21.3741 21.3741 26.2031 26.2031 26.4525 26.4525 k = 0.0000 0.0000 0.0731 ( 1167 PWs) bands (ev): 1.7949 1.7949 2.0010 2.0010 2.1651 2.1651 2.1949 2.1949 2.7667 2.7667 2.8198 2.8198 2.8810 2.8810 3.0983 3.0983 3.1993 3.1993 3.2656 3.2656 3.4856 3.4856 7.2375 7.2375 10.3614 10.3614 21.1434 21.1434 26.2057 26.2058 26.4708 26.4708 k = 0.0000 0.0000 0.0823 ( 1161 PWs) bands (ev): 1.7978 1.7978 1.9984 1.9984 2.1651 2.1651 2.1943 2.1943 2.7657 2.7657 2.8179 2.8179 2.9006 2.9006 3.1132 3.1132 3.1978 3.1978 3.2689 3.2689 3.4830 3.4830 7.0678 7.0678 10.5808 10.5808 20.9010 20.9010 26.2088 26.2088 26.4914 26.4914 k = 0.0000 0.0000 0.0914 ( 1155 PWs) bands (ev): 1.8009 1.8009 1.9956 1.9956 2.1651 2.1651 2.1936 2.1936 2.7647 2.7647 2.8158 2.8158 2.9205 2.9205 3.1316 3.1316 3.1962 3.1962 3.2725 3.2725 3.4801 3.4801 6.9013 6.9013 10.8028 10.8028 20.6496 20.6496 26.2124 26.2124 26.5143 26.5143 k = 0.0000 0.0000 0.1006 ( 1167 PWs) bands (ev): 1.8043 1.8043 1.9924 1.9924 2.1652 2.1652 2.1928 2.1928 2.7638 2.7638 2.8136 2.8136 2.9400 2.9400 3.1544 3.1544 3.1943 3.1943 3.2764 3.2764 3.4770 3.4770 6.7379 6.7379 11.0275 11.0275 20.3913 20.3913 26.2166 26.2166 26.5394 26.5394 k = 0.0000 0.0000 0.1097 ( 1167 PWs) bands (ev): 1.8080 1.8080 1.9890 1.9890 2.1653 2.1653 2.1920 2.1920 2.7629 2.7629 2.8112 2.8112 2.9584 2.9584 3.1820 3.1820 3.1923 3.1923 3.2807 3.2807 3.4735 3.4735 6.5776 6.5776 11.2549 11.2549 20.1275 20.1275 26.2216 26.2216 26.5667 26.5667 k = 0.0000 0.0000 0.1189 ( 1167 PWs) bands (ev): 1.8120 1.8120 1.9853 1.9853 2.1654 2.1654 2.1911 2.1911 2.7621 2.7621 2.8087 2.8087 2.9753 2.9753 3.1900 3.1900 3.2149 3.2149 3.2852 3.2852 3.4698 3.4698 6.4205 6.4205 11.4848 11.4848 19.8596 19.8596 26.2275 26.2275 26.5959 26.5959 k = 0.0000 0.0000 0.1280 ( 1155 PWs) bands (ev): 1.8162 1.8162 1.9814 1.9814 2.1655 2.1655 2.1901 2.1901 2.7614 2.7614 2.8062 2.8062 2.9906 2.9906 3.1875 3.1875 3.2533 3.2533 3.2900 3.2900 3.4659 3.4659 6.2667 6.2667 11.7173 11.7173 19.5886 19.5886 26.2344 26.2344 26.6270 26.6270 k = 0.0000 0.0000 0.1371 ( 1155 PWs) bands (ev): 1.8207 1.8207 1.9772 1.9772 2.1657 2.1657 2.1891 2.1891 2.7608 2.7608 2.8035 2.8035 3.0043 3.0043 3.1848 3.1848 3.2951 3.2951 3.2969 3.2969 3.4616 3.4616 6.1160 6.1160 11.9523 11.9523 19.3153 19.3153 26.2423 26.2423 26.6597 26.6597 k = 0.0000 0.0000 0.1463 ( 1155 PWs) bands (ev): 1.8254 1.8254 1.9728 1.9728 2.1659 2.1659 2.1881 2.1881 2.7602 2.7602 2.8008 2.8008 3.0167 3.0167 3.1819 3.1819 3.3004 3.3004 3.3456 3.3456 3.4572 3.4572 5.9686 5.9686 12.1898 12.1898 19.0404 19.0404 26.2515 26.2515 26.6935 26.6935 k = 0.0000 0.0000 0.1554 ( 1155 PWs) bands (ev): 1.8303 1.8303 1.9681 1.9681 2.1662 2.1662 2.1870 2.1870 2.7599 2.7599 2.7980 2.7980 3.0279 3.0279 3.1787 3.1787 3.3059 3.3059 3.3991 3.3991 3.4525 3.4525 5.8245 5.8245 12.4297 12.4297 18.7645 18.7645 26.2618 26.2618 26.7276 26.7276 k = 0.0000 0.0000 0.1646 ( 1155 PWs) bands (ev): 1.8354 1.8354 1.9633 1.9633 2.1666 2.1666 2.1860 2.1860 2.7596 2.7596 2.7953 2.7953 3.0382 3.0382 3.1753 3.1753 3.3117 3.3117 3.4475 3.4475 3.4572 3.4572 5.6836 5.6836 12.6720 12.6720 18.4879 18.4879 26.2735 26.2735 26.7596 26.7596 k = 0.0000 0.0000 0.1737 ( 1167 PWs) bands (ev): 1.8407 1.8407 1.9582 1.9582 2.1670 2.1670 2.1848 2.1848 2.7596 2.7596 2.7925 2.7925 3.0478 3.0478 3.1717 3.1717 3.3176 3.3176 3.4424 3.4424 3.5196 3.5196 5.5461 5.5461 12.9167 12.9167 18.2111 18.2111 26.2867 26.2867 26.7839 26.7839 k = 0.0000 0.0000 0.1828 ( 1167 PWs) bands (ev): 1.8462 1.8462 1.9530 1.9530 2.1674 2.1674 2.1837 2.1837 2.7596 2.7596 2.7897 2.7897 3.0568 3.0568 3.1678 3.1678 3.3237 3.3237 3.4370 3.4370 3.5861 3.5861 5.4118 5.4118 13.1637 13.1637 17.9343 17.9343 26.3013 26.3013 26.7884 26.7884 k = 0.0000 0.0000 0.1920 ( 1179 PWs) bands (ev): 1.8519 1.8519 1.9476 1.9476 2.1679 2.1679 2.1826 2.1826 2.7599 2.7599 2.7870 2.7870 3.0653 3.0653 3.1637 3.1637 3.3299 3.3299 3.4315 3.4315 3.6566 3.6566 5.2809 5.2809 13.4130 13.4130 17.6579 17.6579 26.3174 26.3174 26.7699 26.7699 k = 0.0000 0.0000 0.2011 ( 1179 PWs) bands (ev): 1.8576 1.8576 1.9420 1.9420 2.1685 2.1685 2.1815 2.1815 2.7604 2.7604 2.7843 2.7843 3.0734 3.0734 3.1594 3.1594 3.3362 3.3362 3.4258 3.4258 3.7310 3.7310 5.1533 5.1533 13.6645 13.6645 17.3821 17.3821 26.3351 26.3351 26.7397 26.7397 k = 0.0000 0.0000 0.2103 ( 1178 PWs) bands (ev): 1.8635 1.8635 1.9363 1.9363 2.1691 2.1691 2.1803 2.1803 2.7610 2.7610 2.7817 2.7817 3.0812 3.0812 3.1548 3.1548 3.3426 3.3426 3.4199 3.4199 3.8093 3.8093 5.0291 5.0291 13.9182 13.9182 17.1071 17.1071 26.3544 26.3544 26.7055 26.7055 k = 0.0000 0.0000 0.2194 ( 1178 PWs) bands (ev): 1.8695 1.8695 1.9305 1.9305 2.1698 2.1698 2.1792 2.1792 2.7618 2.7618 2.7792 2.7792 3.0887 3.0887 3.1500 3.1500 3.3492 3.3492 3.4139 3.4139 3.8913 3.8913 4.9083 4.9083 14.1740 14.1740 16.8331 16.8331 26.3754 26.3754 26.6702 26.6702 k = 0.0000 0.0000 0.2286 ( 1178 PWs) bands (ev): 1.8755 1.8755 1.9246 1.9246 2.1705 2.1705 2.1781 2.1781 2.7628 2.7628 2.7768 2.7768 3.0959 3.0959 3.1449 3.1449 3.3557 3.3557 3.4077 3.4077 3.9770 3.9770 4.7909 4.7909 14.4318 14.4318 16.5602 16.5602 26.3980 26.3980 26.6351 26.6351 k = 0.0000 0.0000 0.2377 ( 1172 PWs) bands (ev): 1.8817 1.8817 1.9186 1.9186 2.1713 2.1713 2.1770 2.1770 2.7639 2.7639 2.7746 2.7746 3.1029 3.1029 3.1396 3.1396 3.3623 3.3623 3.4014 3.4014 4.0663 4.0663 4.6770 4.6770 14.6917 14.6917 16.2886 16.2886 26.4222 26.4222 26.6007 26.6007 k = 0.0000 0.0000 0.2468 ( 1172 PWs) bands (ev): 1.8878 1.8878 1.9125 1.9125 2.1721 2.1721 2.1760 2.1760 2.7653 2.7653 2.7724 2.7724 3.1096 3.1096 3.1341 3.1341 3.3689 3.3689 3.3951 3.3951 4.1593 4.1593 4.5664 4.5664 14.9535 14.9535 16.0184 16.0184 26.4481 26.4481 26.5674 26.5674 k = 0.0000 0.0000 0.2560 ( 1172 PWs) bands (ev): 1.8940 1.8940 1.9064 1.9064 2.1730 2.1730 2.1749 2.1749 2.7668 2.7668 2.7704 2.7704 3.1160 3.1160 3.1283 3.1283 3.3755 3.3755 3.3886 3.3886 4.2558 4.2558 4.4594 4.4594 15.2171 15.2171 15.7496 15.7496 26.4757 26.4757 26.5354 26.5354 k = 0.0000 0.0000 0.2651 ( 1172 PWs) bands (ev): 1.9002 1.9002 1.9002 1.9002 2.1740 2.1740 2.1740 2.1740 2.7685 2.7685 2.7685 2.7685 3.1223 3.1223 3.1223 3.1223 3.3821 3.3821 3.3821 3.3821 4.3558 4.3558 4.3558 4.3558 15.4825 15.4825 15.4825 15.4825 26.5048 26.5048 26.5048 26.5048 k = 0.0000 0.0000 0.2651 ( 1172 PWs) bands (ev): 1.9002 1.9002 1.9002 1.9002 2.1740 2.1740 2.1740 2.1740 2.7685 2.7685 2.7685 2.7685 3.1223 3.1223 3.1223 3.1223 3.3821 3.3821 3.3821 3.3821 4.3558 4.3558 4.3558 4.3558 15.4825 15.4825 15.4825 15.4825 26.5048 26.5048 26.5048 26.5048 k = 0.0081 0.0047 0.2651 ( 1172 PWs) bands (ev): 1.9008 1.9008 1.9008 1.9008 2.1741 2.1741 2.1741 2.1741 2.7686 2.7686 2.7686 2.7686 3.1218 3.1218 3.1218 3.1218 3.3814 3.3814 3.3814 3.3814 4.3579 4.3579 4.3579 4.3579 15.4841 15.4841 15.4841 15.4841 26.4971 26.4971 26.4971 26.4971 k = 0.0161 0.0093 0.2651 ( 1172 PWs) bands (ev): 1.9027 1.9027 1.9027 1.9027 2.1745 2.1745 2.1745 2.1745 2.7690 2.7690 2.7690 2.7690 3.1205 3.1205 3.1205 3.1205 3.3794 3.3794 3.3794 3.3794 4.3641 4.3641 4.3641 4.3641 15.4889 15.4889 15.4889 15.4889 26.4731 26.4731 26.4731 26.4731 k = 0.0242 0.0140 0.2651 ( 1172 PWs) bands (ev): 1.9058 1.9058 1.9058 1.9058 2.1751 2.1751 2.1751 2.1751 2.7697 2.7697 2.7697 2.7697 3.1184 3.1184 3.1184 3.1184 3.3761 3.3761 3.3761 3.3761 4.3743 4.3743 4.3743 4.3743 15.4969 15.4969 15.4969 15.4969 26.4295 26.4295 26.4295 26.4295 k = 0.0323 0.0186 0.2651 ( 1172 PWs) bands (ev): 1.9101 1.9101 1.9101 1.9101 2.1759 2.1759 2.1759 2.1759 2.7706 2.7706 2.7706 2.7706 3.1153 3.1153 3.1153 3.1153 3.3717 3.3717 3.3717 3.3717 4.3886 4.3886 4.3886 4.3886 15.5081 15.5081 15.5081 15.5081 26.3603 26.3603 26.3603 26.3603 k = 0.0403 0.0233 0.2651 ( 1172 PWs) bands (ev): 1.9156 1.9156 1.9156 1.9156 2.1769 2.1769 2.1769 2.1769 2.7718 2.7718 2.7718 2.7718 3.1114 3.1114 3.1114 3.1114 3.3663 3.3663 3.3663 3.3663 4.4067 4.4067 4.4067 4.4067 15.5225 15.5225 15.5225 15.5225 26.2576 26.2576 26.2576 26.2576 k = 0.0484 0.0279 0.2651 ( 1172 PWs) bands (ev): 1.9221 1.9221 1.9221 1.9221 2.1782 2.1782 2.1782 2.1782 2.7733 2.7733 2.7733 2.7733 3.1067 3.1067 3.1067 3.1067 3.3602 3.3602 3.3602 3.3602 4.4285 4.4285 4.4285 4.4285 15.5401 15.5401 15.5401 15.5401 26.1154 26.1154 26.1154 26.1154 k = 0.0565 0.0326 0.2651 ( 1166 PWs) bands (ev): 1.9296 1.9296 1.9296 1.9296 2.1796 2.1796 2.1796 2.1796 2.7751 2.7751 2.7751 2.7751 3.1011 3.1011 3.1011 3.1011 3.3534 3.3534 3.3534 3.3534 4.4538 4.4538 4.4538 4.4538 15.5608 15.5608 15.5608 15.5608 25.9338 25.9338 25.9338 25.9338 k = 0.0645 0.0372 0.2651 ( 1172 PWs) bands (ev): 1.9380 1.9380 1.9380 1.9380 2.1812 2.1812 2.1812 2.1812 2.7774 2.7774 2.7774 2.7774 3.0948 3.0948 3.0948 3.0948 3.3463 3.3463 3.3463 3.3463 4.4827 4.4827 4.4827 4.4827 15.5846 15.5846 15.5846 15.5846 25.7190 25.7190 25.7190 25.7190 k = 0.0726 0.0419 0.2651 ( 1176 PWs) bands (ev): 1.9471 1.9471 1.9471 1.9471 2.1829 2.1829 2.1829 2.1829 2.7800 2.7800 2.7800 2.7800 3.0879 3.0879 3.0879 3.0879 3.3390 3.3390 3.3390 3.3390 4.5148 4.5148 4.5148 4.5148 15.6116 15.6116 15.6116 15.6116 25.4792 25.4792 25.4792 25.4792 k = 0.0806 0.0466 0.2651 ( 1172 PWs) bands (ev): 1.9568 1.9568 1.9568 1.9568 2.1847 2.1847 2.1847 2.1847 2.7830 2.7830 2.7830 2.7830 3.0803 3.0803 3.0803 3.0803 3.3317 3.3317 3.3317 3.3317 4.5501 4.5501 4.5501 4.5501 15.6417 15.6417 15.6417 15.6417 25.2216 25.2216 25.2216 25.2216 k = 0.0887 0.0512 0.2651 ( 1172 PWs) bands (ev): 1.9670 1.9670 1.9670 1.9670 2.1867 2.1867 2.1867 2.1867 2.7864 2.7864 2.7864 2.7864 3.0722 3.0722 3.0722 3.0722 3.3245 3.3245 3.3245 3.3245 4.5885 4.5885 4.5885 4.5885 15.6748 15.6748 15.6748 15.6748 24.9513 24.9513 24.9513 24.9513 k = 0.0968 0.0559 0.2651 ( 1176 PWs) bands (ev): 1.9773 1.9773 1.9773 1.9773 2.1889 2.1889 2.1889 2.1889 2.7903 2.7903 2.7903 2.7903 3.0638 3.0638 3.0638 3.0638 3.3175 3.3175 3.3175 3.3175 4.6300 4.6300 4.6300 4.6300 15.7111 15.7111 15.7111 15.7111 24.6720 24.6720 24.6720 24.6720 k = 0.1048 0.0605 0.2651 ( 1172 PWs) bands (ev): 1.9877 1.9877 1.9877 1.9877 2.1912 2.1912 2.1912 2.1912 2.7946 2.7946 2.7946 2.7946 3.0553 3.0553 3.0553 3.0553 3.3108 3.3108 3.3108 3.3108 4.6744 4.6744 4.6744 4.6744 15.7503 15.7503 15.7503 15.7503 24.3862 24.3862 24.3862 24.3862 k = 0.1129 0.0652 0.2651 ( 1168 PWs) bands (ev): 1.9978 1.9978 1.9978 1.9978 2.1937 2.1937 2.1937 2.1937 2.7995 2.7995 2.7995 2.7995 3.0467 3.0467 3.0467 3.0467 3.3046 3.3046 3.3046 3.3046 4.7217 4.7217 4.7217 4.7217 15.7925 15.7925 15.7925 15.7925 24.0959 24.0959 24.0959 24.0959 k = 0.1210 0.0698 0.2651 ( 1168 PWs) bands (ev): 2.0074 2.0074 2.0074 2.0074 2.1964 2.1964 2.1964 2.1964 2.8048 2.8048 2.8048 2.8048 3.0383 3.0383 3.0383 3.0383 3.2988 3.2988 3.2988 3.2988 4.7719 4.7719 4.7719 4.7719 15.8377 15.8377 15.8377 15.8377 23.8022 23.8022 23.8022 23.8022 k = 0.1290 0.0745 0.2651 ( 1164 PWs) bands (ev): 2.0162 2.0162 2.0162 2.0162 2.1994 2.1994 2.1994 2.1994 2.8105 2.8105 2.8105 2.8105 3.0303 3.0303 3.0303 3.0303 3.2935 3.2935 3.2935 3.2935 4.8250 4.8250 4.8250 4.8250 15.8857 15.8857 15.8857 15.8857 23.5063 23.5063 23.5063 23.5063 k = 0.1371 0.0792 0.2651 ( 1168 PWs) bands (ev): 2.0240 2.0240 2.0240 2.0240 2.2028 2.2028 2.2028 2.2028 2.8166 2.8166 2.8166 2.8166 3.0230 3.0230 3.0230 3.0230 3.2888 3.2888 3.2888 3.2888 4.8810 4.8810 4.8810 4.8810 15.9367 15.9367 15.9367 15.9367 23.2089 23.2089 23.2089 23.2089 k = 0.1452 0.0838 0.2651 ( 1164 PWs) bands (ev): 2.0305 2.0305 2.0305 2.0305 2.2064 2.2064 2.2064 2.2064 2.8232 2.8232 2.8232 2.8232 3.0165 3.0165 3.0165 3.0165 3.2847 3.2847 3.2847 3.2847 4.9399 4.9399 4.9399 4.9399 15.9904 15.9904 15.9904 15.9904 22.9107 22.9107 22.9107 22.9107 k = 0.1532 0.0885 0.2651 ( 1156 PWs) bands (ev): 2.0356 2.0356 2.0356 2.0356 2.2102 2.2102 2.2102 2.2102 2.8302 2.8302 2.8302 2.8302 3.0109 3.0109 3.0109 3.0109 3.2813 3.2813 3.2813 3.2813 5.0017 5.0017 5.0017 5.0017 16.0469 16.0469 16.0469 16.0469 22.6122 22.6122 22.6122 22.6122 k = 0.1613 0.0931 0.2651 ( 1156 PWs) bands (ev): 2.0391 2.0391 2.0391 2.0391 2.2142 2.2142 2.2142 2.2142 2.8375 2.8375 2.8375 2.8375 3.0066 3.0066 3.0066 3.0066 3.2785 3.2785 3.2785 3.2785 5.0665 5.0665 5.0665 5.0665 16.1060 16.1060 16.1060 16.1060 22.3137 22.3137 22.3137 22.3137 k = 0.1694 0.0978 0.2651 ( 1152 PWs) bands (ev): 2.0411 2.0411 2.0411 2.0411 2.2182 2.2182 2.2182 2.2182 2.8452 2.8452 2.8452 2.8452 3.0035 3.0035 3.0035 3.0035 3.2765 3.2765 3.2765 3.2765 5.1344 5.1344 5.1344 5.1344 16.1678 16.1678 16.1678 16.1678 22.0156 22.0156 22.0156 22.0156 k = 0.1774 0.1024 0.2651 ( 1148 PWs) bands (ev): 2.0414 2.0414 2.0414 2.0414 2.2221 2.2221 2.2221 2.2221 2.8532 2.8532 2.8532 2.8532 3.0017 3.0017 3.0017 3.0017 3.2753 3.2753 3.2753 3.2753 5.2053 5.2053 5.2053 5.2053 16.2321 16.2321 16.2321 16.2321 21.7183 21.7183 21.7183 21.7183 k = 0.1855 0.1071 0.2651 ( 1152 PWs) bands (ev): 2.0401 2.0401 2.0401 2.0401 2.2254 2.2254 2.2254 2.2254 2.8618 2.8618 2.8618 2.8618 3.0013 3.0013 3.0013 3.0013 3.2750 3.2750 3.2750 3.2750 5.2793 5.2793 5.2793 5.2793 16.2987 16.2987 16.2987 16.2987 21.4221 21.4221 21.4221 21.4221 k = 0.1935 0.1117 0.2651 ( 1148 PWs) bands (ev): 2.0375 2.0375 2.0375 2.0375 2.2282 2.2282 2.2282 2.2282 2.8708 2.8708 2.8708 2.8708 3.0020 3.0020 3.0020 3.0020 3.2757 3.2757 3.2757 3.2757 5.3565 5.3565 5.3565 5.3565 16.3676 16.3676 16.3676 16.3676 21.1271 21.1271 21.1271 21.1271 k = 0.2016 0.1164 0.2651 ( 1148 PWs) bands (ev): 2.0335 2.0335 2.0335 2.0335 2.2301 2.2301 2.2301 2.2301 2.8804 2.8804 2.8804 2.8804 3.0039 3.0039 3.0039 3.0039 3.2774 3.2774 3.2774 3.2774 5.4369 5.4369 5.4369 5.4369 16.4386 16.4386 16.4386 16.4386 20.8338 20.8338 20.8338 20.8338 k = 0.2097 0.1211 0.2651 ( 1148 PWs) bands (ev): 2.0284 2.0284 2.0284 2.0284 2.2309 2.2309 2.2309 2.2309 2.8906 2.8906 2.8906 2.8906 3.0066 3.0066 3.0066 3.0066 3.2802 3.2802 3.2802 3.2802 5.5206 5.5206 5.5206 5.5206 16.5115 16.5115 16.5115 16.5115 20.5424 20.5424 20.5424 20.5424 k = 0.2177 0.1257 0.2651 ( 1144 PWs) bands (ev): 2.0222 2.0222 2.0222 2.0222 2.2307 2.2307 2.2307 2.2307 2.9015 2.9015 2.9015 2.9015 3.0101 3.0101 3.0101 3.0101 3.2843 3.2843 3.2843 3.2843 5.6077 5.6077 5.6077 5.6077 16.5860 16.5860 16.5860 16.5860 20.2533 20.2533 20.2533 20.2533 k = 0.2258 0.1304 0.2651 ( 1144 PWs) bands (ev): 2.0151 2.0151 2.0151 2.0151 2.2293 2.2293 2.2293 2.2293 2.9131 2.9131 2.9131 2.9131 3.0140 3.0140 3.0140 3.0140 3.2896 3.2896 3.2896 3.2896 5.6981 5.6981 5.6981 5.6981 16.6617 16.6617 16.6617 16.6617 19.9669 19.9669 19.9669 19.9669 k = 0.2339 0.1350 0.2651 ( 1142 PWs) bands (ev): 2.0072 2.0072 2.0072 2.0072 2.2267 2.2267 2.2267 2.2267 2.9253 2.9253 2.9253 2.9253 3.0183 3.0183 3.0183 3.0183 3.2963 3.2963 3.2963 3.2963 5.7920 5.7920 5.7920 5.7920 16.7380 16.7380 16.7380 16.7380 19.6839 19.6839 19.6839 19.6839 k = 0.2419 0.1397 0.2651 ( 1142 PWs) bands (ev): 1.9985 1.9985 1.9985 1.9985 2.2230 2.2230 2.2230 2.2230 2.9379 2.9379 2.9379 2.9379 3.0228 3.0228 3.0228 3.0228 3.3043 3.3043 3.3043 3.3043 5.8893 5.8893 5.8893 5.8893 16.8142 16.8142 16.8142 16.8142 19.4051 19.4051 19.4051 19.4051 k = 0.2500 0.1443 0.2651 ( 1142 PWs) bands (ev): 1.9893 1.9893 1.9893 1.9893 2.2182 2.2182 2.2182 2.2182 2.9508 2.9508 2.9508 2.9508 3.0278 3.0278 3.0278 3.0278 3.3136 3.3136 3.3136 3.3136 5.9901 5.9901 5.9901 5.9901 16.8889 16.8889 16.8889 16.8889 19.1318 19.1318 19.1318 19.1318 k = 0.2581 0.1490 0.2651 ( 1144 PWs) bands (ev): 1.9796 1.9796 1.9796 1.9796 2.2124 2.2124 2.2124 2.2124 2.9635 2.9635 2.9635 2.9635 3.0332 3.0332 3.0332 3.0332 3.3242 3.3242 3.3242 3.3242 6.0945 6.0945 6.0945 6.0945 16.9598 16.9598 16.9598 16.9598 18.8663 18.8663 18.8663 18.8663 k = 0.2661 0.1536 0.2651 ( 1144 PWs) bands (ev): 1.9694 1.9694 1.9694 1.9694 2.2058 2.2058 2.2058 2.2058 2.9754 2.9754 2.9754 2.9754 3.0396 3.0396 3.0396 3.0396 3.3360 3.3360 3.3360 3.3360 6.2024 6.2024 6.2024 6.2024 17.0232 17.0232 17.0232 17.0232 18.6125 18.6125 18.6125 18.6125 k = 0.2742 0.1583 0.2651 ( 1144 PWs) bands (ev): 1.9588 1.9588 1.9588 1.9588 2.1984 2.1984 2.1984 2.1984 2.9859 2.9859 2.9859 2.9859 3.0474 3.0474 3.0474 3.0474 3.3488 3.3488 3.3488 3.3488 6.3139 6.3139 6.3139 6.3139 17.0718 17.0718 17.0718 17.0718 18.3776 18.3776 18.3776 18.3776 k = 0.2823 0.1630 0.2651 ( 1144 PWs) bands (ev): 1.9480 1.9480 1.9480 1.9480 2.1903 2.1903 2.1903 2.1903 2.9943 2.9943 2.9943 2.9943 3.0573 3.0573 3.0573 3.0573 3.3627 3.3627 3.3627 3.3627 6.4289 6.4289 6.4289 6.4289 17.0919 17.0919 17.0919 17.0919 18.1751 18.1751 18.1751 18.1751 k = 0.2903 0.1676 0.2651 ( 1148 PWs) bands (ev): 1.9370 1.9370 1.9370 1.9370 2.1818 2.1818 2.1818 2.1818 3.0004 3.0004 3.0004 3.0004 3.0692 3.0692 3.0692 3.0692 3.3773 3.3773 3.3773 3.3773 6.5475 6.5475 6.5475 6.5475 17.0619 17.0619 17.0619 17.0619 18.0268 18.0268 18.0268 18.0268 k = 0.2984 0.1723 0.2651 ( 1144 PWs) bands (ev): 1.9259 1.9259 1.9259 1.9259 2.1729 2.1729 2.1729 2.1729 3.0045 3.0045 3.0045 3.0045 3.0828 3.0828 3.0828 3.0828 3.3927 3.3927 3.3927 3.3927 6.6697 6.6697 6.6697 6.6697 16.9629 16.9629 16.9629 16.9629 17.9516 17.9516 17.9516 17.9516 k = 0.3065 0.1769 0.2651 ( 1140 PWs) bands (ev): 1.9147 1.9147 1.9147 1.9147 2.1637 2.1637 2.1637 2.1637 3.0070 3.0070 3.0070 3.0070 3.0977 3.0977 3.0977 3.0977 3.4086 3.4086 3.4086 3.4086 6.7955 6.7955 6.7955 6.7955 16.7995 16.7995 16.7995 16.7995 17.9448 17.9448 17.9448 17.9448 k = 0.3145 0.1816 0.2651 ( 1144 PWs) bands (ev): 1.9035 1.9035 1.9035 1.9035 2.1543 2.1543 2.1543 2.1543 3.0083 3.0083 3.0083 3.0083 3.1132 3.1132 3.1132 3.1132 3.4249 3.4249 3.4249 3.4249 6.9247 6.9247 6.9247 6.9247 16.5939 16.5939 16.5939 16.5939 17.9840 17.9840 17.9840 17.9840 k = 0.3226 0.1862 0.2651 ( 1144 PWs) bands (ev): 1.8923 1.8923 1.8923 1.8923 2.1448 2.1448 2.1448 2.1448 3.0088 3.0088 3.0088 3.0088 3.1291 3.1291 3.1291 3.1291 3.4415 3.4415 3.4415 3.4415 7.0575 7.0575 7.0575 7.0575 16.3655 16.3655 16.3655 16.3655 18.0499 18.0499 18.0499 18.0499 k = 0.3306 0.1909 0.2651 ( 1144 PWs) bands (ev): 1.8813 1.8813 1.8813 1.8813 2.1353 2.1353 2.1353 2.1353 3.0087 3.0087 3.0087 3.0087 3.1451 3.1451 3.1451 3.1451 3.4582 3.4582 3.4582 3.4582 7.1937 7.1937 7.1937 7.1937 16.1254 16.1254 16.1254 16.1254 18.1312 18.1312 18.1312 18.1312 k = 0.3387 0.1956 0.2651 ( 1144 PWs) bands (ev): 1.8704 1.8704 1.8704 1.8704 2.1259 2.1259 2.1259 2.1259 3.0082 3.0082 3.0082 3.0082 3.1610 3.1610 3.1610 3.1610 3.4749 3.4749 3.4749 3.4749 7.3333 7.3333 7.3333 7.3333 15.8796 15.8796 15.8796 15.8796 18.2219 18.2219 18.2219 18.2219 k = 0.3468 0.2002 0.2651 ( 1144 PWs) bands (ev): 1.8598 1.8598 1.8598 1.8598 2.1166 2.1166 2.1166 2.1166 3.0073 3.0073 3.0073 3.0073 3.1765 3.1765 3.1765 3.1765 3.4916 3.4916 3.4916 3.4916 7.4762 7.4762 7.4762 7.4762 15.6313 15.6313 15.6313 15.6313 18.3188 18.3188 18.3188 18.3188 k = 0.3548 0.2049 0.2651 ( 1144 PWs) bands (ev): 1.8494 1.8494 1.8494 1.8494 2.1075 2.1075 2.1075 2.1075 3.0062 3.0062 3.0062 3.0062 3.1917 3.1917 3.1917 3.1917 3.5081 3.5081 3.5081 3.5081 7.6223 7.6223 7.6223 7.6223 15.3824 15.3824 15.3824 15.3824 18.4196 18.4196 18.4196 18.4196 k = 0.3629 0.2095 0.2651 ( 1144 PWs) bands (ev): 1.8393 1.8393 1.8393 1.8393 2.0986 2.0986 2.0986 2.0986 3.0049 3.0049 3.0049 3.0049 3.2064 3.2064 3.2064 3.2064 3.5243 3.5243 3.5243 3.5243 7.7716 7.7716 7.7716 7.7716 15.1340 15.1340 15.1340 15.1340 18.5232 18.5232 18.5232 18.5232 k = 0.3710 0.2142 0.2651 ( 1142 PWs) bands (ev): 1.8295 1.8295 1.8295 1.8295 2.0901 2.0901 2.0901 2.0901 3.0035 3.0035 3.0035 3.0035 3.2204 3.2204 3.2204 3.2204 3.5401 3.5401 3.5401 3.5401 7.9239 7.9239 7.9239 7.9239 14.8869 14.8869 14.8869 14.8869 18.6286 18.6286 18.6286 18.6286 k = 0.3790 0.2188 0.2651 ( 1142 PWs) bands (ev): 1.8201 1.8201 1.8201 1.8201 2.0819 2.0819 2.0819 2.0819 3.0021 3.0021 3.0021 3.0021 3.2339 3.2339 3.2339 3.2339 3.5554 3.5554 3.5554 3.5554 8.0791 8.0791 8.0791 8.0791 14.6419 14.6419 14.6419 14.6419 18.7348 18.7348 18.7348 18.7348 k = 0.3871 0.2235 0.2651 ( 1142 PWs) bands (ev): 1.8112 1.8112 1.8112 1.8112 2.0741 2.0741 2.0741 2.0741 3.0006 3.0006 3.0006 3.0006 3.2466 3.2466 3.2466 3.2466 3.5702 3.5702 3.5702 3.5702 8.2371 8.2371 8.2371 8.2371 14.3993 14.3993 14.3993 14.3993 18.8413 18.8413 18.8413 18.8413 k = 0.3952 0.2281 0.2651 ( 1138 PWs) bands (ev): 1.8027 1.8027 1.8027 1.8027 2.0666 2.0666 2.0666 2.0666 2.9991 2.9991 2.9991 2.9991 3.2586 3.2586 3.2586 3.2586 3.5843 3.5843 3.5843 3.5843 8.3974 8.3974 8.3974 8.3974 14.1595 14.1595 14.1595 14.1595 18.9473 18.9473 18.9473 18.9473 k = 0.4032 0.2328 0.2651 ( 1134 PWs) bands (ev): 1.7948 1.7948 1.7948 1.7948 2.0597 2.0597 2.0597 2.0597 2.9976 2.9976 2.9976 2.9976 3.2698 3.2698 3.2698 3.2698 3.5976 3.5976 3.5976 3.5976 8.5600 8.5600 8.5600 8.5600 13.9231 13.9231 13.9231 13.9231 19.0521 19.0521 19.0521 19.0521 k = 0.4113 0.2375 0.2651 ( 1134 PWs) bands (ev): 1.7873 1.7873 1.7873 1.7873 2.0532 2.0532 2.0532 2.0532 2.9962 2.9962 2.9962 2.9962 3.2802 3.2802 3.2802 3.2802 3.6102 3.6102 3.6102 3.6102 8.7245 8.7245 8.7245 8.7245 13.6905 13.6905 13.6905 13.6905 19.1549 19.1549 19.1549 19.1549 k = 0.4194 0.2421 0.2651 ( 1134 PWs) bands (ev): 1.7804 1.7804 1.7804 1.7804 2.0472 2.0472 2.0472 2.0472 2.9948 2.9948 2.9948 2.9948 3.2898 3.2898 3.2898 3.2898 3.6219 3.6219 3.6219 3.6219 8.8903 8.8903 8.8903 8.8903 13.4623 13.4623 13.4623 13.4623 19.2548 19.2548 19.2548 19.2548 k = 0.4274 0.2468 0.2651 ( 1134 PWs) bands (ev): 1.7741 1.7741 1.7741 1.7741 2.0417 2.0417 2.0417 2.0417 2.9935 2.9935 2.9935 2.9935 3.2985 3.2985 3.2985 3.2985 3.6327 3.6327 3.6327 3.6327 9.0568 9.0568 9.0568 9.0568 13.2391 13.2391 13.2391 13.2391 19.3509 19.3509 19.3509 19.3509 k = 0.4355 0.2514 0.2651 ( 1134 PWs) bands (ev): 1.7684 1.7684 1.7684 1.7684 2.0367 2.0367 2.0367 2.0367 2.9924 2.9924 2.9924 2.9924 3.3063 3.3063 3.3063 3.3063 3.6425 3.6425 3.6425 3.6425 9.2232 9.2232 9.2232 9.2232 13.0220 13.0220 13.0220 13.0220 19.4422 19.4422 19.4422 19.4422 k = 0.4435 0.2561 0.2651 ( 1130 PWs) bands (ev): 1.7633 1.7633 1.7633 1.7633 2.0323 2.0323 2.0323 2.0323 2.9913 2.9913 2.9913 2.9913 3.3132 3.3132 3.3132 3.3132 3.6513 3.6513 3.6513 3.6513 9.3882 9.3882 9.3882 9.3882 12.8121 12.8121 12.8121 12.8121 19.5274 19.5274 19.5274 19.5274 k = 0.4516 0.2607 0.2651 ( 1130 PWs) bands (ev): 1.7589 1.7589 1.7589 1.7589 2.0284 2.0284 2.0284 2.0284 2.9904 2.9904 2.9904 2.9904 3.3193 3.3193 3.3193 3.3193 3.6590 3.6590 3.6590 3.6590 9.5501 9.5501 9.5501 9.5501 12.6113 12.6113 12.6113 12.6113 19.6053 19.6053 19.6053 19.6053 k = 0.4597 0.2654 0.2651 ( 1130 PWs) bands (ev): 1.7551 1.7551 1.7551 1.7551 2.0252 2.0252 2.0252 2.0252 2.9895 2.9895 2.9895 2.9895 3.3244 3.3244 3.3244 3.3244 3.6656 3.6656 3.6656 3.6656 9.7062 9.7062 9.7062 9.7062 12.4222 12.4222 12.4222 12.4222 19.6746 19.6746 19.6746 19.6746 k = 0.4677 0.2701 0.2651 ( 1130 PWs) bands (ev): 1.7520 1.7520 1.7520 1.7520 2.0225 2.0225 2.0225 2.0225 2.9889 2.9889 2.9889 2.9889 3.3286 3.3286 3.3286 3.3286 3.6710 3.6710 3.6710 3.6710 9.8524 9.8524 9.8524 9.8524 12.2489 12.2489 12.2489 12.2489 19.7337 19.7337 19.7337 19.7337 k = 0.4758 0.2747 0.2651 ( 1130 PWs) bands (ev): 1.7496 1.7496 1.7496 1.7496 2.0203 2.0203 2.0203 2.0203 2.9883 2.9883 2.9883 2.9883 3.3318 3.3318 3.3318 3.3318 3.6752 3.6752 3.6752 3.6752 9.9829 9.9829 9.9829 9.9829 12.0974 12.0974 12.0974 12.0974 19.7815 19.7815 19.7815 19.7815 k = 0.4839 0.2794 0.2651 ( 1130 PWs) bands (ev): 1.7478 1.7478 1.7478 1.7478 2.0188 2.0188 2.0188 2.0188 2.9880 2.9880 2.9880 2.9880 3.3342 3.3342 3.3342 3.3342 3.6783 3.6783 3.6783 3.6783 10.0891 10.0891 10.0891 10.0891 11.9763 11.9763 11.9763 11.9763 19.8166 19.8166 19.8166 19.8166 k = 0.4919 0.2840 0.2651 ( 1130 PWs) bands (ev): 1.7468 1.7468 1.7468 1.7468 2.0179 2.0179 2.0179 2.0179 2.9877 2.9877 2.9877 2.9877 3.3356 3.3356 3.3356 3.3356 3.6801 3.6801 3.6801 3.6801 10.1599 10.1599 10.1599 10.1599 11.8964 11.8964 11.8964 11.8964 19.8381 19.8381 19.8381 19.8381 k = 0.5000 0.2887 0.2651 ( 1120 PWs) bands (ev): 1.7464 1.7464 1.7464 1.7464 2.0176 2.0176 2.0176 2.0176 2.9877 2.9877 2.9877 2.9877 3.3361 3.3361 3.3361 3.3361 3.6808 3.6808 3.6808 3.6808 10.1850 10.1850 10.1850 10.1850 11.8683 11.8683 11.8683 11.8683 19.8453 19.8453 19.8453 19.8453 k = 0.5000 0.2887 0.2651 ( 1120 PWs) bands (ev): 1.7464 1.7464 1.7464 1.7464 2.0176 2.0176 2.0176 2.0176 2.9877 2.9877 2.9877 2.9877 3.3361 3.3361 3.3361 3.3361 3.6808 3.6808 3.6808 3.6808 10.1850 10.1850 10.1850 10.1850 11.8683 11.8683 11.8683 11.8683 19.8453 19.8453 19.8453 19.8453 k = 0.4954 0.2967 0.2651 ( 1128 PWs) bands (ev): 1.7472 1.7472 1.7474 1.7474 2.0169 2.0169 2.0188 2.0188 2.9842 2.9842 2.9901 2.9901 3.3333 3.3333 3.3386 3.3386 3.6791 3.6791 3.6805 3.6805 10.1874 10.1874 10.1880 10.1880 11.8688 11.8688 11.8699 11.8699 19.8450 19.8450 19.8483 19.8483 k = 0.4907 0.3047 0.2651 ( 1128 PWs) bands (ev): 1.7496 1.7496 1.7500 1.7500 2.0166 2.0166 2.0204 2.0204 2.9798 2.9798 2.9915 2.9915 3.3305 3.3305 3.3411 3.3411 3.6756 3.6756 3.6784 3.6784 10.1952 10.1952 10.1964 10.1964 11.8713 11.8713 11.8735 11.8735 19.8471 19.8471 19.8541 19.8541 k = 0.4861 0.3127 0.2651 ( 1128 PWs) bands (ev): 1.7538 1.7538 1.7544 1.7544 2.0167 2.0167 2.0224 2.0224 2.9744 2.9744 2.9918 2.9918 3.3276 3.3276 3.3433 3.3433 3.6703 3.6703 3.6744 3.6744 10.2083 10.2083 10.2101 10.2101 11.8760 11.8760 11.8792 11.8792 19.8512 19.8512 19.8626 19.8626 k = 0.4815 0.3208 0.2651 ( 1130 PWs) bands (ev): 1.7596 1.7596 1.7604 1.7604 2.0172 2.0172 2.0249 2.0249 2.9682 2.9682 2.9910 2.9910 3.3247 3.3247 3.3452 3.3452 3.6632 3.6632 3.6686 3.6686 10.2268 10.2268 10.2292 10.2292 11.8826 11.8826 11.8869 11.8869 19.8565 19.8565 19.8735 19.8735 k = 0.4769 0.3288 0.2651 ( 1126 PWs) bands (ev): 1.7670 1.7670 1.7681 1.7681 2.0181 2.0181 2.0278 2.0278 2.9611 2.9611 2.9892 2.9892 3.3217 3.3217 3.3467 3.3467 3.6544 3.6544 3.6611 3.6611 10.2505 10.2505 10.2535 10.2535 11.8914 11.8914 11.8968 11.8968 19.8615 19.8615 19.8862 19.8862 k = 0.4722 0.3368 0.2651 ( 1126 PWs) bands (ev): 1.7761 1.7761 1.7774 1.7774 2.0194 2.0194 2.0311 2.0311 2.9532 2.9532 2.9863 2.9863 3.3187 3.3187 3.3479 3.3479 3.6441 3.6441 3.6519 3.6519 10.2794 10.2794 10.2831 10.2831 11.9022 11.9022 11.9088 11.9088 19.8636 19.8636 19.8996 19.8996 k = 0.4676 0.3448 0.2651 ( 1130 PWs) bands (ev): 1.7867 1.7867 1.7883 1.7883 2.0211 2.0211 2.0349 2.0349 2.9446 2.9446 2.9824 2.9824 3.3156 3.3156 3.3485 3.3485 3.6323 3.6323 3.6411 3.6411 10.3133 10.3133 10.3179 10.3179 11.9152 11.9152 11.9229 11.9229 19.8578 19.8578 19.9107 19.9107 k = 0.4630 0.3528 0.2651 ( 1130 PWs) bands (ev): 1.7988 1.7988 1.8008 1.8008 2.0232 2.0232 2.0391 2.0391 2.9353 2.9353 2.9775 2.9775 3.3125 3.3125 3.3486 3.3486 3.6192 3.6192 3.6289 3.6289 10.3523 10.3523 10.3577 10.3577 11.9303 11.9303 11.9391 11.9391 19.8339 19.8339 19.9126 19.9126 k = 0.4583 0.3608 0.2651 ( 1130 PWs) bands (ev): 1.8123 1.8123 1.8147 1.8147 2.0256 2.0256 2.0437 2.0437 2.9254 2.9254 2.9717 2.9717 3.3092 3.3092 3.3480 3.3480 3.6050 3.6050 3.6153 3.6153 10.3962 10.3962 10.4025 10.4025 11.9475 11.9475 11.9576 11.9576 19.7743 19.7743 19.8850 19.8850 k = 0.4537 0.3689 0.2651 ( 1130 PWs) bands (ev): 1.8272 1.8272 1.8300 1.8300 2.0284 2.0284 2.0488 2.0488 2.9151 2.9151 2.9650 2.9650 3.3057 3.3057 3.3465 3.3465 3.5899 3.5899 3.6005 3.6005 10.4449 10.4449 10.4522 10.4522 11.9668 11.9668 11.9782 11.9782 19.6591 19.6591 19.7862 19.7862 k = 0.4491 0.3769 0.2651 ( 1134 PWs) bands (ev): 1.8434 1.8434 1.8467 1.8467 2.0315 2.0315 2.0542 2.0542 2.9042 2.9042 2.9575 2.9575 3.3020 3.3020 3.3440 3.3440 3.5742 3.5742 3.5847 3.5847 10.4983 10.4983 10.5066 10.5066 11.9884 11.9884 12.0011 12.0011 19.4870 19.4870 19.6025 19.6025 k = 0.4444 0.3849 0.2651 ( 1134 PWs) bands (ev): 1.8607 1.8607 1.8646 1.8646 2.0349 2.0349 2.0601 2.0601 2.8930 2.8930 2.9492 2.9492 3.2980 3.2980 3.3403 3.3403 3.5581 3.5581 3.5681 3.5681 10.5562 10.5562 10.5656 10.5656 12.0122 12.0122 12.0263 12.0263 19.2756 19.2756 19.3734 19.3734 k = 0.4398 0.3929 0.2651 ( 1134 PWs) bands (ev): 1.8790 1.8790 1.8837 1.8837 2.0385 2.0385 2.0664 2.0664 2.8816 2.8816 2.9403 2.9403 3.2936 3.2936 3.3352 3.3352 3.5421 3.5421 3.5509 3.5509 10.6185 10.6185 10.6292 10.6292 12.0383 12.0383 12.0539 12.0539 19.0419 19.0419 19.1257 19.1257 k = 0.4352 0.4009 0.2651 ( 1134 PWs) bands (ev): 1.8983 1.8983 1.9038 1.9038 2.0425 2.0425 2.0731 2.0731 2.8699 2.8699 2.9309 2.9309 3.2887 3.2887 3.3284 3.3284 3.5265 3.5265 3.5332 3.5332 10.6850 10.6850 10.6972 10.6972 12.0667 12.0667 12.0838 12.0838 18.7959 18.7959 18.8696 18.8696 k = 0.4306 0.4090 0.2651 ( 1134 PWs) bands (ev): 1.9184 1.9184 1.9249 1.9249 2.0467 2.0467 2.0803 2.0803 2.8581 2.8581 2.9210 2.9210 3.2832 3.2832 3.3197 3.3197 3.5117 3.5117 3.5154 3.5154 10.7557 10.7557 10.7695 10.7695 12.0974 12.0974 12.1161 12.1161 18.5430 18.5430 18.6095 18.6095 k = 0.4259 0.4170 0.2651 ( 1130 PWs) bands (ev): 1.9390 1.9390 1.9467 1.9467 2.0511 2.0511 2.0878 2.0878 2.8464 2.8464 2.9108 2.9108 3.2770 3.2770 3.3088 3.3088 3.4976 3.4976 3.4979 3.4979 10.8304 10.8304 10.8459 10.8459 12.1305 12.1305 12.1510 12.1510 18.2861 18.2861 18.3473 18.3473 k = 0.4213 0.4250 0.2651 ( 1130 PWs) bands (ev): 1.9601 1.9601 1.9692 1.9692 2.0558 2.0558 2.0958 2.0958 2.8348 2.8348 2.9003 2.9003 3.2699 3.2699 3.2958 3.2958 3.4801 3.4801 3.4855 3.4855 10.9089 10.9089 10.9263 10.9263 12.1661 12.1661 12.1884 12.1884 18.0269 18.0269 18.0842 18.0842 k = 0.4167 0.4330 0.2651 ( 1126 PWs) bands (ev): 1.9813 1.9813 1.9921 1.9921 2.0607 2.0607 2.1043 2.1043 2.8235 2.8235 2.8897 2.8897 3.2619 3.2619 3.2805 3.2805 3.4632 3.4632 3.4746 3.4746 10.9910 10.9910 11.0105 11.0105 12.2042 12.2042 12.2284 12.2284 17.7665 17.7665 17.8210 17.8210 k = 0.4120 0.4410 0.2651 ( 1132 PWs) bands (ev): 2.0024 2.0024 2.0152 2.0152 2.0659 2.0659 2.1133 2.1133 2.8127 2.8127 2.8791 2.8791 3.2527 3.2527 3.2632 3.2632 3.4472 3.4472 3.4651 3.4651 11.0766 11.0766 11.0985 11.0985 12.2449 12.2449 12.2711 12.2711 17.5057 17.5057 17.5581 17.5581 k = 0.4074 0.4491 0.2651 ( 1136 PWs) bands (ev): 2.0232 2.0232 2.0379 2.0379 2.0718 2.0718 2.1229 2.1229 2.8024 2.8024 2.8686 2.8686 3.2425 3.2425 3.2441 3.2441 3.4322 3.4322 3.4569 3.4569 11.1656 11.1656 11.1901 11.1901 12.2881 12.2881 12.3166 12.3166 17.2450 17.2450 17.2959 17.2959 k = 0.4028 0.4571 0.2651 ( 1134 PWs) bands (ev): 2.0432 2.0432 2.0586 2.0586 2.0796 2.0796 2.1330 2.1330 2.7928 2.7928 2.8584 2.8584 3.2235 3.2235 3.2311 3.2311 3.4183 3.4183 3.4499 3.4499 11.2577 11.2577 11.2851 11.2851 12.3341 12.3341 12.3649 12.3649 16.9849 16.9849 17.0347 17.0347 k = 0.3981 0.4651 0.2651 ( 1134 PWs) bands (ev): 2.0623 2.0623 2.0728 2.0728 2.0937 2.0937 2.1438 2.1438 2.7842 2.7842 2.8486 2.8486 3.2019 3.2019 3.2187 3.2187 3.4058 3.4058 3.4438 3.4438 11.3528 11.3528 11.3834 11.3834 12.3829 12.3829 12.4162 12.4162 16.7256 16.7256 16.7748 16.7748 k = 0.3935 0.4731 0.2651 ( 1134 PWs) bands (ev): 2.0800 2.0800 2.0805 2.0805 2.1137 2.1137 2.1551 2.1551 2.7768 2.7768 2.8394 2.8394 3.1795 3.1795 3.2054 3.2054 3.3945 3.3945 3.4385 3.4385 11.4507 11.4507 11.4849 11.4849 12.4345 12.4345 12.4705 12.4705 16.4674 16.4674 16.5165 16.5165 k = 0.3889 0.4811 0.2651 ( 1134 PWs) bands (ev): 2.0862 2.0862 2.0962 2.0962 2.1350 2.1350 2.1669 2.1669 2.7707 2.7707 2.8308 2.8308 3.1567 3.1567 3.1914 3.1914 3.3845 3.3845 3.4337 3.4337 11.5511 11.5511 11.5893 11.5893 12.4891 12.4891 12.5280 12.5280 16.2105 16.2105 16.2598 16.2598 k = 0.3843 0.4891 0.2651 ( 1134 PWs) bands (ev): 2.0913 2.0913 2.1109 2.1109 2.1558 2.1558 2.1788 2.1788 2.7661 2.7661 2.8230 2.8230 3.1337 3.1337 3.1772 3.1772 3.3755 3.3755 3.4295 3.4295 11.6539 11.6539 11.6966 11.6966 12.5466 12.5466 12.5886 12.5886 15.9552 15.9552 16.0052 16.0052 k = 0.3796 0.4972 0.2651 ( 1134 PWs) bands (ev): 2.0959 2.0959 2.1242 2.1242 2.1755 2.1755 2.1904 2.1904 2.7632 2.7632 2.8162 2.8162 3.1109 3.1109 3.1629 3.1629 3.3676 3.3676 3.4257 3.4257 11.7587 11.7587 11.8065 11.8065 12.6074 12.6074 12.6526 12.6526 15.7015 15.7015 15.7528 15.7528 k = 0.3750 0.5052 0.2651 ( 1134 PWs) bands (ev): 2.1003 2.1003 2.1361 2.1361 2.1939 2.1939 2.2013 2.2013 2.7622 2.7622 2.8104 2.8104 3.0884 3.0884 3.1489 3.1489 3.3605 3.3605 3.4221 3.4221 11.8654 11.8654 11.9188 11.9188 12.6713 12.6713 12.7200 12.7200 15.4498 15.4498 15.5029 15.5029 k = 0.3704 0.5132 0.2651 ( 1134 PWs) bands (ev): 2.1043 2.1043 2.1469 2.1469 2.2106 2.2106 2.2110 2.2110 2.7630 2.7630 2.8057 2.8057 3.0667 3.0667 3.1356 3.1356 3.3542 3.3542 3.4189 3.4189 11.9734 11.9734 12.0333 12.0333 12.7386 12.7386 12.7907 12.7908 15.2003 15.2003 15.2558 15.2558 k = 0.3657 0.5212 0.2651 ( 1138 PWs) bands (ev): 2.1079 2.1079 2.1567 2.1567 2.2192 2.2192 2.2254 2.2254 2.7656 2.7656 2.8020 2.8020 3.0459 3.0459 3.1231 3.1231 3.3487 3.3487 3.4160 3.4160 12.0824 12.0824 12.1496 12.1496 12.8093 12.8093 12.8650 12.8650 14.9533 14.9533 15.0122 15.0122 k = 0.3611 0.5292 0.2651 ( 1138 PWs) bands (ev): 2.1112 2.1112 2.1656 2.1656 2.2256 2.2256 2.2382 2.2382 2.7698 2.7698 2.7995 2.7995 3.0264 3.0264 3.1120 3.1120 3.3437 3.3437 3.4133 3.4133 12.1917 12.1917 12.2672 12.2672 12.8836 12.8836 12.9425 12.9425 14.7091 14.7091 14.7729 14.7729 k = 0.3565 0.5373 0.2651 ( 1138 PWs) bands (ev): 2.1140 2.1140 2.1736 2.1736 2.2303 2.2303 2.2488 2.2488 2.7752 2.7752 2.7978 2.7978 3.0086 3.0086 3.1023 3.1023 3.3395 3.3395 3.4110 3.4110 12.3004 12.3004 12.3856 12.3856 12.9614 12.9614 13.0231 13.0231 14.4685 14.4685 14.5390 14.5390 k = 0.3519 0.5453 0.2651 ( 1138 PWs) bands (ev): 2.1164 2.1164 2.1807 2.1807 2.2332 2.2332 2.2572 2.2572 2.7812 2.7812 2.7970 2.7970 2.9928 2.9928 3.0942 3.0942 3.3358 3.3358 3.4089 3.4089 12.4071 12.4071 12.5038 12.5038 13.0428 13.0428 13.1059 13.1059 14.2326 14.2326 14.3129 14.3129 k = 0.3472 0.5533 0.2651 ( 1142 PWs) bands (ev): 2.1183 2.1183 2.1868 2.1868 2.2346 2.2346 2.2635 2.2635 2.7873 2.7873 2.7967 2.7967 2.9797 2.9797 3.0880 3.0880 3.3329 3.3329 3.4073 3.4073 12.5093 12.5093 12.6197 12.6197 13.1272 13.1272 13.1890 13.1890 14.0037 14.0037 14.0990 14.0990 k = 0.3426 0.5613 0.2651 ( 1138 PWs) bands (ev): 2.1197 2.1197 2.1915 2.1915 2.2349 2.2349 2.2678 2.2678 2.7925 2.7925 2.7967 2.7967 2.9699 2.9699 3.0837 3.0837 3.3307 3.3307 3.4060 3.4060 12.6021 12.6021 12.7293 12.7293 13.2132 13.2132 13.2673 13.2673 13.7878 13.7878 13.9075 13.9075 k = 0.3380 0.5693 0.2651 ( 1144 PWs) bands (ev): 2.1205 2.1205 2.1947 2.1947 2.2347 2.2347 2.2702 2.2702 2.7960 2.7960 2.7968 2.7968 2.9638 2.9638 3.0813 3.0813 3.3293 3.3293 3.4052 3.4052 12.6749 12.6749 12.8218 12.8218 13.2931 13.2931 13.3270 13.3270 13.6030 13.6030 13.7625 13.7625 k = 0.3333 0.5774 0.2651 ( 1140 PWs) bands (ev): 2.1208 2.1208 2.1958 2.1958 2.2345 2.2345 2.2710 2.2710 2.7968 2.7968 2.7972 2.7972 2.9618 2.9618 3.0805 3.0805 3.3288 3.3288 3.4049 3.4049 12.7062 12.7062 12.8659 12.8659 13.3304 13.3304 13.3460 13.3460 13.5176 13.5176 13.7081 13.7081 k = 0.3333 0.5774 0.2651 ( 1140 PWs) bands (ev): 2.1208 2.1208 2.1958 2.1958 2.2345 2.2345 2.2710 2.2710 2.7968 2.7968 2.7972 2.7972 2.9618 2.9618 3.0805 3.0805 3.3288 3.3288 3.4049 3.4049 12.7062 12.7062 12.8659 12.8659 13.3304 13.3304 13.3460 13.3460 13.5176 13.5176 13.7081 13.7081 k = 0.3286 0.5692 0.2651 ( 1148 PWs) bands (ev): 2.1205 2.1205 2.1946 2.1946 2.2347 2.2347 2.2703 2.2703 2.7960 2.7960 2.7968 2.7968 2.9637 2.9637 3.0812 3.0812 3.3293 3.3293 3.4052 3.4052 12.6650 12.6650 12.8040 12.8040 13.3391 13.3391 13.3497 13.3497 13.5750 13.5750 13.7499 13.7499 k = 0.3239 0.5611 0.2651 ( 1146 PWs) bands (ev): 2.1197 2.1197 2.1913 2.1913 2.2356 2.2356 2.2683 2.2683 2.7928 2.7928 2.7965 2.7965 2.9688 2.9688 3.0830 3.0830 3.3310 3.3310 3.4062 3.4062 12.5456 12.5456 12.6453 12.6453 13.3918 13.3918 13.4074 13.4074 13.6782 13.6782 13.8401 13.8401 k = 0.3192 0.5530 0.2651 ( 1142 PWs) bands (ev): 2.1183 2.1183 2.1862 2.1862 2.2367 2.2367 2.2654 2.2654 2.7881 2.7881 2.7960 2.7960 2.9763 2.9763 3.0855 3.0855 3.3340 3.3340 3.4079 3.4079 12.3766 12.3766 12.4466 12.4466 13.4715 13.4715 13.5103 13.5103 13.7953 13.7953 13.9508 13.9508 k = 0.3146 0.5448 0.2651 ( 1142 PWs) bands (ev): 2.1163 2.1163 2.1799 2.1799 2.2379 2.2379 2.2616 2.2616 2.7829 2.7829 2.7954 2.7954 2.9850 2.9850 3.0884 3.0884 3.3382 3.3382 3.4104 3.4104 12.1833 12.1833 12.2343 12.2343 13.5729 13.5729 13.6268 13.6268 13.9210 13.9210 14.0726 14.0726 k = 0.3099 0.5367 0.2651 ( 1142 PWs) bands (ev): 2.1139 2.1139 2.1728 2.1728 2.2388 2.2388 2.2573 2.2573 2.7775 2.7775 2.7947 2.7947 2.9943 2.9943 3.0912 3.0912 3.3438 3.3438 3.4137 3.4137 11.9789 11.9789 12.0174 12.0174 13.6866 13.6866 13.7496 13.7496 14.0536 14.0536 14.2021 14.2021 k = 0.3052 0.5286 0.2651 ( 1138 PWs) bands (ev): 2.1110 2.1110 2.1651 2.1651 2.2392 2.2392 2.2526 2.2526 2.7724 2.7724 2.7940 2.7940 3.0035 3.0035 3.0937 3.0937 3.3506 3.3506 3.4178 3.4178 11.7695 11.7695 11.7994 11.7994 13.8079 13.8079 13.8764 13.8764 14.1922 14.1922 14.3377 14.3377 k = 0.3005 0.5204 0.2651 ( 1138 PWs) bands (ev): 2.1078 2.1078 2.1573 2.1573 2.2392 2.2392 2.2476 2.2476 2.7678 2.7678 2.7933 2.7933 3.0121 3.0121 3.0957 3.0957 3.3585 3.3585 3.4227 3.4227 11.5582 11.5582 11.5819 11.5819 13.9349 13.9349 14.0062 14.0062 14.3359 14.3359 14.4783 14.4783 k = 0.2958 0.5123 0.2651 ( 1138 PWs) bands (ev): 2.1042 2.1042 2.1493 2.1493 2.2387 2.2387 2.2425 2.2425 2.7639 2.7639 2.7927 2.7927 3.0199 3.0199 3.0971 3.0971 3.3675 3.3675 3.4283 3.4283 11.3466 11.3466 11.3657 11.3657 14.0665 14.0665 14.1389 14.1389 14.4843 14.4843 14.6235 14.6235 k = 0.2911 0.5042 0.2651 ( 1138 PWs) bands (ev): 2.1004 2.1004 2.1414 2.1414 2.2374 2.2374 2.2377 2.2377 2.7608 2.7608 2.7922 2.7922 3.0267 3.0267 3.0978 3.0978 3.3771 3.3771 3.4345 3.4345 11.1358 11.1358 11.1513 11.1513 14.2021 14.2021 14.2745 14.2745 14.6366 14.6366 14.7726 14.7726 k = 0.2864 0.4960 0.2651 ( 1138 PWs) bands (ev): 2.0964 2.0964 2.1337 2.1337 2.2324 2.2324 2.2362 2.2362 2.7586 2.7586 2.7918 2.7918 3.0324 3.0324 3.0980 3.0980 3.3872 3.3872 3.4411 3.4411 10.9263 10.9263 10.9390 10.9390 14.3415 14.3415 14.4133 14.4133 14.7925 14.7925 14.9253 14.9253 k = 0.2817 0.4879 0.2651 ( 1138 PWs) bands (ev): 2.0923 2.0923 2.1262 2.1262 2.2276 2.2276 2.2344 2.2344 2.7570 2.7570 2.7914 2.7914 3.0371 3.0371 3.0978 3.0978 3.3976 3.3976 3.4481 3.4481 10.7186 10.7186 10.7291 10.7291 14.4847 14.4848 14.5553 14.5553 14.9515 14.9515 15.0814 15.0814 k = 0.2770 0.4798 0.2651 ( 1138 PWs) bands (ev): 2.0882 2.0882 2.1191 2.1191 2.2230 2.2230 2.2322 2.2322 2.7562 2.7562 2.7911 2.7911 3.0407 3.0407 3.0972 3.0972 3.4079 3.4079 3.4552 3.4552 10.5131 10.5131 10.5216 10.5216 14.6317 14.6317 14.7008 14.7008 15.1134 15.1134 15.2405 15.2405 k = 0.2723 0.4716 0.2651 ( 1140 PWs) bands (ev): 2.0841 2.0841 2.1124 2.1124 2.2187 2.2187 2.2297 2.2297 2.7560 2.7560 2.7907 2.7907 3.0434 3.0434 3.0963 3.0963 3.4179 3.4179 3.4623 3.4623 10.3098 10.3098 10.3168 10.3168 14.7823 14.7823 14.8498 14.8498 15.2777 15.2777 15.4023 15.4023 k = 0.2676 0.4635 0.2651 ( 1140 PWs) bands (ev): 2.0801 2.0801 2.1061 2.1061 2.2147 2.2147 2.2271 2.2271 2.7563 2.7563 2.7901 2.7901 3.0453 3.0453 3.0954 3.0954 3.4275 3.4275 3.4692 3.4692 10.1091 10.1091 10.1148 10.1148 14.9366 14.9366 15.0025 15.0025 15.4444 15.4444 15.5667 15.5667 k = 0.2629 0.4554 0.2651 ( 1144 PWs) bands (ev): 2.0764 2.0764 2.1004 2.1004 2.2111 2.2111 2.2243 2.2243 2.7570 2.7570 2.7894 2.7894 3.0465 3.0465 3.0945 3.0945 3.4364 3.4364 3.4756 3.4756 9.9110 9.9110 9.9156 9.9156 15.0947 15.0947 15.1589 15.1589 15.6130 15.6130 15.7334 15.7334 k = 0.2582 0.4472 0.2651 ( 1144 PWs) bands (ev): 2.0728 2.0728 2.0952 2.0952 2.2079 2.2079 2.2215 2.2215 2.7581 2.7581 2.7885 2.7885 3.0472 3.0472 3.0937 3.0937 3.4444 3.4444 3.4816 3.4816 9.7157 9.7157 9.7193 9.7193 15.2565 15.2565 15.3190 15.3190 15.7834 15.7834 15.9022 15.9022 k = 0.2535 0.4391 0.2651 ( 1144 PWs) bands (ev): 2.0696 2.0696 2.0906 2.0906 2.2052 2.2052 2.2186 2.2186 2.7594 2.7594 2.7873 2.7873 3.0474 3.0474 3.0931 3.0931 3.4515 3.4515 3.4868 3.4868 9.5232 9.5232 9.5260 9.5260 15.4220 15.4220 15.4830 15.4830 15.9552 15.9552 16.0728 16.0728 k = 0.2488 0.4310 0.2651 ( 1144 PWs) bands (ev): 2.0666 2.0666 2.0865 2.0865 2.2029 2.2029 2.2159 2.2159 2.7609 2.7609 2.7857 2.7857 3.0473 3.0473 3.0929 3.0929 3.4575 3.4575 3.4912 3.4912 9.3337 9.3337 9.3357 9.3357 15.5913 15.5913 15.6507 15.6507 16.1282 16.1282 16.2450 16.2450 k = 0.2441 0.4228 0.2651 ( 1138 PWs) bands (ev): 2.0640 2.0640 2.0831 2.0831 2.2010 2.2010 2.2132 2.2132 2.7623 2.7623 2.7837 2.7837 3.0471 3.0471 3.0931 3.0931 3.4623 3.4623 3.4946 3.4946 9.1472 9.1472 9.1486 9.1486 15.7643 15.7643 15.8222 15.8222 16.3021 16.3021 16.4183 16.4183 k = 0.2394 0.4147 0.2651 ( 1138 PWs) bands (ev): 2.0618 2.0618 2.0803 2.0803 2.1996 2.1996 2.2106 2.2106 2.7638 2.7638 2.7814 2.7814 3.0468 3.0468 3.0937 3.0937 3.4659 3.4659 3.4971 3.4971 8.9639 8.9639 8.9647 8.9647 15.9409 15.9409 15.9973 15.9973 16.4762 16.4762 16.5923 16.5923 k = 0.2347 0.4066 0.2651 ( 1146 PWs) bands (ev): 2.0601 2.0601 2.0781 2.0781 2.1987 2.1987 2.2082 2.2082 2.7651 2.7651 2.7786 2.7786 3.0465 3.0465 3.0948 3.0948 3.4681 3.4681 3.4984 3.4984 8.7838 8.7838 8.7841 8.7841 16.1210 16.1210 16.1760 16.1760 16.6500 16.6500 16.7665 16.7665 k = 0.2300 0.3985 0.2651 ( 1146 PWs) bands (ev): 2.0587 2.0587 2.0766 2.0766 2.1982 2.1982 2.2060 2.2060 2.7663 2.7663 2.7754 2.7754 3.0463 3.0463 3.0963 3.0963 3.4690 3.4690 3.4986 3.4986 8.6068 8.6068 8.6069 8.6069 16.3046 16.3046 16.3581 16.3581 16.8226 16.8226 16.9400 16.9400 k = 0.2254 0.3903 0.2651 ( 1146 PWs) bands (ev): 2.0578 2.0578 2.0756 2.0756 2.1981 2.1981 2.2040 2.2040 2.7673 2.7673 2.7719 2.7719 3.0463 3.0463 3.0984 3.0984 3.4685 3.4685 3.4975 3.4975 8.4329 8.4329 8.4334 8.4334 16.4914 16.4914 16.5433 16.5433 16.9927 16.9927 17.1114 17.1114 k = 0.2207 0.3822 0.2651 ( 1146 PWs) bands (ev): 2.0573 2.0573 2.0753 2.0753 2.1985 2.1985 2.2021 2.2021 2.7680 2.7680 2.7681 2.7681 3.0465 3.0465 3.1009 3.1009 3.4665 3.4665 3.4952 3.4952 8.2624 8.2624 8.2632 8.2632 16.6810 16.6810 16.7310 16.7310 17.1587 17.1587 17.2788 17.2788 k = 0.2160 0.3741 0.2651 ( 1142 PWs) bands (ev): 2.0573 2.0573 2.0756 2.0756 2.1992 2.1992 2.2004 2.2004 2.7639 2.7639 2.7688 2.7688 3.0470 3.0470 3.1039 3.1039 3.4631 3.4631 3.4917 3.4917 8.0954 8.0954 8.0966 8.0966 16.8729 16.8729 16.9205 16.9205 17.3180 17.3180 17.4391 17.4391 k = 0.2113 0.3659 0.2651 ( 1146 PWs) bands (ev): 2.0576 2.0576 2.0765 2.0765 2.1989 2.1989 2.2003 2.2003 2.7596 2.7596 2.7692 2.7692 3.0477 3.0477 3.1074 3.1074 3.4582 3.4582 3.4869 3.4869 7.9320 7.9320 7.9334 7.9334 17.0660 17.0660 17.1097 17.1097 17.4674 17.4674 17.5875 17.5875 k = 0.2066 0.3578 0.2651 ( 1150 PWs) bands (ev): 2.0584 2.0584 2.0779 2.0779 2.1975 2.1975 2.2017 2.2017 2.7551 2.7551 2.7694 2.7694 3.0486 3.0486 3.1112 3.1112 3.4519 3.4519 3.4809 3.4809 7.7722 7.7722 7.7739 7.7739 17.2574 17.2574 17.2937 17.2937 17.6044 17.6044 17.7172 17.7172 k = 0.2019 0.3497 0.2651 ( 1150 PWs) bands (ev): 2.0596 2.0596 2.0799 2.0799 2.1961 2.1961 2.2034 2.2034 2.7505 2.7505 2.7696 2.7696 3.0498 3.0498 3.1153 3.1153 3.4442 3.4442 3.4737 3.4737 7.6160 7.6160 7.6179 7.6179 17.4402 17.4402 17.4592 17.4592 17.7332 17.7332 17.8234 17.8234 k = 0.1972 0.3415 0.2651 ( 1154 PWs) bands (ev): 2.0611 2.0611 2.0824 2.0824 2.1949 2.1949 2.2053 2.2053 2.7461 2.7461 2.7697 2.7697 3.0511 3.0511 3.1198 3.1198 3.4352 3.4352 3.4654 3.4654 7.4636 7.4636 7.4657 7.4657 17.5772 17.5772 17.5931 17.5931 17.8749 17.8749 17.9179 17.9179 k = 0.1925 0.3334 0.2651 ( 1154 PWs) bands (ev): 2.0629 2.0629 2.0853 2.0853 2.1937 2.1937 2.2073 2.2073 2.7417 2.7417 2.7699 2.7699 3.0526 3.0526 3.1246 3.1246 3.4248 3.4248 3.4560 3.4560 7.3149 7.3149 7.3172 7.3172 17.6274 17.6274 17.6737 17.6737 18.0433 18.0433 18.0484 18.0484 k = 0.1878 0.3253 0.2651 ( 1154 PWs) bands (ev): 2.0650 2.0650 2.0887 2.0887 2.1924 2.1924 2.2095 2.2095 2.7376 2.7376 2.7702 2.7702 3.0541 3.0541 3.1295 3.1295 3.4131 3.4131 3.4455 3.4455 7.1700 7.1700 7.1724 7.1724 17.6232 17.6232 17.6747 17.6747 18.2176 18.2176 18.2453 18.2453 k = 0.1831 0.3171 0.2651 ( 1150 PWs) bands (ev): 2.0674 2.0674 2.0924 2.0924 2.1910 2.1910 2.2117 2.2117 2.7338 2.7338 2.7706 2.7706 3.0556 3.0556 3.1346 3.1346 3.4002 3.4002 3.4342 3.4342 7.0289 7.0289 7.0315 7.0315 17.5847 17.5847 17.6301 17.6301 18.4185 18.4185 18.4547 18.4547 k = 0.1784 0.3090 0.2651 ( 1142 PWs) bands (ev): 2.0700 2.0700 2.0965 2.0965 2.1896 2.1896 2.2139 2.2139 2.7304 2.7304 2.7714 2.7714 3.0569 3.0569 3.1398 3.1398 3.3863 3.3863 3.4221 3.4221 6.8917 6.8917 6.8944 6.8944 17.5254 17.5254 17.5630 17.5630 18.6319 18.6319 18.6718 18.6718 k = 0.1737 0.3009 0.2651 ( 1142 PWs) bands (ev): 2.0726 2.0726 2.1009 2.1009 2.1880 2.1880 2.2159 2.2159 2.7276 2.7276 2.7724 2.7724 3.0581 3.0581 3.1451 3.1451 3.3712 3.3712 3.4093 3.4093 6.7583 6.7583 6.7611 6.7611 17.4535 17.4535 17.4841 17.4841 18.8526 18.8526 18.8942 18.8942 k = 0.1690 0.2927 0.2651 ( 1134 PWs) bands (ev): 2.0754 2.0754 2.1055 2.1055 2.1861 2.1861 2.2178 2.2178 2.7254 2.7254 2.7739 2.7739 3.0588 3.0588 3.1504 3.1504 3.3553 3.3553 3.3961 3.3961 6.6289 6.6289 6.6318 6.6318 17.3740 17.3740 17.3989 17.3989 19.0784 19.0784 19.1210 19.1210 k = 0.1643 0.2846 0.2651 ( 1134 PWs) bands (ev): 2.0782 2.0782 2.1102 2.1102 2.1840 2.1840 2.2195 2.2195 2.7238 2.7238 2.7759 2.7759 3.0592 3.0592 3.1555 3.1555 3.3387 3.3387 3.3826 3.3826 6.5034 6.5034 6.5064 6.5064 17.2902 17.2902 17.3106 17.3106 19.3084 19.3084 19.3515 19.3515 k = 0.1596 0.2765 0.2651 ( 1134 PWs) bands (ev): 2.0809 2.0809 2.1150 2.1150 2.1817 2.1817 2.2209 2.2209 2.7231 2.7231 2.7785 2.7785 3.0589 3.0589 3.1605 3.1605 3.3215 3.3215 3.3691 3.3691 6.3818 6.3818 6.3849 6.3849 17.2042 17.2042 17.2209 17.2209 19.5420 19.5420 19.5854 19.5854 k = 0.1549 0.2683 0.2651 ( 1138 PWs) bands (ev): 2.0834 2.0834 2.1197 2.1197 2.1791 2.1791 2.2219 2.2219 2.7232 2.7232 2.7816 2.7816 3.0579 3.0579 3.1651 3.1651 3.3041 3.3041 3.3557 3.3557 6.2642 6.2642 6.2673 6.2673 17.1172 17.1172 17.1310 17.1310 19.7787 19.7787 19.8224 19.8224 k = 0.1502 0.2602 0.2651 ( 1140 PWs) bands (ev): 2.0857 2.0857 2.1242 2.1242 2.1763 2.1763 2.2225 2.2225 2.7241 2.7241 2.7853 2.7853 3.0559 3.0559 3.1691 3.1691 3.2867 3.2867 3.3428 3.3428 6.1505 6.1505 6.1536 6.1536 17.0301 17.0301 17.0417 17.0417 20.0184 20.0184 20.0622 20.0622 k = 0.1455 0.2521 0.2651 ( 1140 PWs) bands (ev): 2.0877 2.0877 2.1282 2.1282 2.1735 2.1735 2.2228 2.2228 2.7259 2.7259 2.7897 2.7897 3.0530 3.0530 3.1721 3.1721 3.2701 3.2701 3.3306 3.3306 6.0407 6.0407 6.0438 6.0438 16.9438 16.9438 16.9534 16.9534 20.2607 20.2607 20.3047 20.3047 k = 0.1408 0.2440 0.2651 ( 1140 PWs) bands (ev): 2.0893 2.0893 2.1313 2.1313 2.1709 2.1709 2.2226 2.2226 2.7286 2.7286 2.7946 2.7946 3.0490 3.0490 3.1732 3.1732 3.2551 3.2551 3.3193 3.3193 5.9349 5.9349 5.9379 5.9379 16.8585 16.8585 16.8666 16.8666 20.5054 20.5054 20.5497 20.5497 k = 0.1362 0.2358 0.2651 ( 1148 PWs) bands (ev): 2.0903 2.0903 2.1330 2.1330 2.1691 2.1691 2.2220 2.2220 2.7321 2.7321 2.8000 2.8000 3.0439 3.0439 3.1712 3.1712 3.2431 3.2431 3.3093 3.3093 5.8328 5.8328 5.8359 5.8359 16.7747 16.7747 16.7815 16.7815 20.7524 20.7524 20.7971 20.7971 k = 0.1315 0.2277 0.2651 ( 1148 PWs) bands (ev): 2.0906 2.0906 2.1328 2.1328 2.1684 2.1684 2.2211 2.2211 2.7363 2.7363 2.8058 2.8058 3.0377 3.0377 3.1648 3.1648 3.2357 3.2357 3.3006 3.3006 5.7346 5.7346 5.7376 5.7376 16.6926 16.6926 16.6983 16.6983 21.0015 21.0015 21.0465 21.0465 k = 0.1268 0.2196 0.2651 ( 1152 PWs) bands (ev): 2.0902 2.0902 2.1302 2.1302 2.1692 2.1692 2.2199 2.2199 2.7413 2.7413 2.8119 2.8119 3.0307 3.0307 3.1542 3.1542 3.2330 3.2330 3.2934 3.2934 5.6402 5.6402 5.6432 5.6432 16.6125 16.6125 16.6173 16.6173 21.2524 21.2524 21.2978 21.2978 k = 0.1221 0.2114 0.2651 ( 1152 PWs) bands (ev): 2.0890 2.0890 2.1257 2.1257 2.1711 2.1711 2.2184 2.2184 2.7468 2.7468 2.8181 2.8181 3.0230 3.0230 3.1409 3.1409 3.2337 3.2337 3.2877 3.2877 5.5495 5.5495 5.5524 5.5524 16.5345 16.5345 16.5385 16.5385 21.5048 21.5048 21.5508 21.5508 k = 0.1174 0.2033 0.2651 ( 1154 PWs) bands (ev): 2.0868 2.0868 2.1195 2.1195 2.1736 2.1736 2.2167 2.2167 2.7527 2.7527 2.8240 2.8240 3.0153 3.0153 3.1264 3.1264 3.2364 3.2364 3.2835 3.2835 5.4625 5.4625 5.4653 5.4653 16.4587 16.4587 16.4621 16.4621 21.7587 21.7587 21.8052 21.8052 k = 0.1127 0.1952 0.2651 ( 1158 PWs) bands (ev): 2.0836 2.0836 2.1121 2.1121 2.1763 2.1763 2.2149 2.2149 2.7588 2.7588 2.8294 2.8294 3.0079 3.0079 3.1118 3.1118 3.2403 3.2403 3.2807 3.2807 5.3790 5.3790 5.3818 5.3818 16.3853 16.3853 16.3881 16.3881 22.0135 22.0135 22.0606 22.0606 k = 0.1080 0.1870 0.2651 ( 1158 PWs) bands (ev): 2.0793 2.0793 2.1038 2.1038 2.1791 2.1791 2.2129 2.2129 2.7649 2.7649 2.8338 2.8338 3.0016 3.0016 3.0981 3.0981 3.2449 3.2449 3.2791 3.2791 5.2991 5.2991 5.3017 5.3017 16.3143 16.3143 16.3167 16.3167 22.2690 22.2690 22.3168 22.3168 k = 0.1033 0.1789 0.2651 ( 1162 PWs) bands (ev): 2.0740 2.0740 2.0946 2.0946 2.1816 2.1816 2.2109 2.2109 2.7707 2.7707 2.8367 2.8367 2.9969 2.9969 3.0856 3.0856 3.2501 3.2501 3.2788 3.2788 5.2227 5.2227 5.2252 5.2252 16.2459 16.2459 16.2479 16.2479 22.5249 22.5249 22.5732 22.5732 k = 0.0986 0.1708 0.2651 ( 1162 PWs) bands (ev): 2.0676 2.0676 2.0848 2.0848 2.1838 2.1838 2.2089 2.2089 2.7760 2.7760 2.8379 2.8379 2.9946 2.9946 3.0748 3.0748 3.2555 3.2555 3.2794 3.2794 5.1496 5.1496 5.1519 5.1519 16.1801 16.1801 16.1817 16.1817 22.7807 22.7807 22.8293 22.8293 k = 0.0939 0.1626 0.2651 ( 1166 PWs) bands (ev): 2.0603 2.0603 2.0743 2.0743 2.1856 2.1856 2.2069 2.2069 2.7807 2.7807 2.8370 2.8370 2.9949 2.9949 3.0660 3.0660 3.2612 3.2612 3.2809 3.2809 5.0799 5.0799 5.0820 5.0820 16.1169 16.1169 16.1183 16.1183 23.0359 23.0359 23.0846 23.0846 k = 0.0892 0.1545 0.2651 ( 1164 PWs) bands (ev): 2.0520 2.0520 2.0634 2.0634 2.1870 2.1870 2.2048 2.2048 2.7844 2.7844 2.8342 2.8342 2.9978 2.9978 3.0594 3.0594 3.2672 3.2672 3.2833 3.2833 5.0133 5.0133 5.0154 5.0154 16.0566 16.0566 16.0577 16.0577 23.2900 23.2900 23.3382 23.3382 k = 0.0845 0.1464 0.2651 ( 1172 PWs) bands (ev): 2.0429 2.0429 2.0520 2.0520 2.1880 2.1880 2.2027 2.2027 2.7870 2.7870 2.8298 2.8298 3.0030 3.0030 3.0552 3.0552 3.2734 3.2734 3.2864 3.2864 4.9500 4.9500 4.9519 4.9519 15.9990 15.9990 15.9999 15.9999 23.5425 23.5425 23.5896 23.5896 k = 0.0798 0.1382 0.2651 ( 1168 PWs) bands (ev): 2.0331 2.0331 2.0403 2.0403 2.1886 2.1886 2.2006 2.2006 2.7886 2.7886 2.8244 2.8244 3.0101 3.0101 3.0533 3.0533 3.2797 3.2797 3.2902 3.2902 4.8898 4.8898 4.8915 4.8915 15.9443 15.9443 15.9450 15.9450 23.7927 23.7927 23.8381 23.8381 k = 0.0751 0.1301 0.2651 ( 1172 PWs) bands (ev): 2.0227 2.0227 2.0284 2.0284 2.1887 2.1887 2.1985 2.1985 2.7892 2.7892 2.8184 2.8184 3.0186 3.0186 3.0536 3.0536 3.2863 3.2863 3.2946 3.2946 4.8326 4.8326 4.8341 4.8341 15.8924 15.8924 15.8930 15.8930 24.0403 24.0403 24.0832 24.0832 k = 0.0704 0.1220 0.2651 ( 1176 PWs) bands (ev): 2.0120 2.0120 2.0164 2.0164 2.1885 2.1885 2.1963 2.1963 2.7888 2.7888 2.8122 2.8122 3.0280 3.0280 3.0558 3.0558 3.2932 3.2932 3.2996 3.2996 4.7785 4.7785 4.7798 4.7798 15.8435 15.8435 15.8440 15.8440 24.2845 24.2845 24.3245 24.3245 k = 0.0657 0.1138 0.2651 ( 1172 PWs) bands (ev): 2.0010 2.0010 2.0044 2.0044 2.1880 2.1880 2.1941 2.1941 2.7878 2.7878 2.8060 2.8060 3.0379 3.0379 3.0595 3.0595 3.3002 3.3002 3.3051 3.3051 4.7273 4.7273 4.7285 4.7285 15.7976 15.7976 15.7980 15.7980 24.5247 24.5247 24.5615 24.5615 k = 0.0610 0.1057 0.2651 ( 1172 PWs) bands (ev): 1.9899 1.9899 1.9925 1.9925 2.1871 2.1871 2.1919 2.1919 2.7862 2.7862 2.8002 2.8002 3.0480 3.0480 3.0645 3.0645 3.3075 3.3075 3.3111 3.3111 4.6792 4.6792 4.6802 4.6802 15.7547 15.7547 15.7550 15.7550 24.7603 24.7603 24.7936 24.7936 k = 0.0563 0.0976 0.2651 ( 1176 PWs) bands (ev): 1.9789 1.9789 1.9808 1.9808 2.1861 2.1861 2.1897 2.1897 2.7842 2.7842 2.7948 2.7948 3.0580 3.0580 3.0704 3.0704 3.3150 3.3150 3.3176 3.3176 4.6341 4.6341 4.6349 4.6349 15.7148 15.7148 15.7150 15.7150 24.9903 24.9903 25.0202 25.0202 k = 0.0516 0.0894 0.2651 ( 1168 PWs) bands (ev): 1.9681 1.9681 1.9695 1.9695 2.1849 2.1849 2.1875 2.1875 2.7822 2.7822 2.7900 2.7900 3.0676 3.0676 3.0767 3.0767 3.3226 3.3226 3.3244 3.3244 4.5920 4.5920 4.5927 4.5927 15.6780 15.6780 15.6782 15.6782 25.2134 25.2134 25.2399 25.2399 k = 0.0469 0.0813 0.2651 ( 1168 PWs) bands (ev): 1.9577 1.9577 1.9587 1.9587 2.1835 2.1835 2.1855 2.1855 2.7800 2.7800 2.7857 2.7857 3.0768 3.0768 3.0833 3.0833 3.3303 3.3303 3.3315 3.3315 4.5530 4.5530 4.5536 4.5536 15.6443 15.6443 15.6444 15.6444 25.4280 25.4280 25.4510 25.4510 k = 0.0423 0.0732 0.2651 ( 1168 PWs) bands (ev): 1.9478 1.9478 1.9484 1.9484 2.1821 2.1821 2.1835 2.1835 2.7780 2.7780 2.7820 2.7820 3.0853 3.0853 3.0898 3.0898 3.3380 3.3380 3.3388 3.3388 4.5171 4.5171 4.5176 4.5176 15.6137 15.6137 15.6138 15.6138 25.6317 25.6317 25.6512 25.6512 k = 0.0376 0.0651 0.2651 ( 1168 PWs) bands (ev): 1.9385 1.9385 1.9390 1.9390 2.1807 2.1807 2.1816 2.1816 2.7761 2.7761 2.7788 2.7788 3.0930 3.0930 3.0960 3.0960 3.3456 3.3456 3.3460 3.3460 4.4846 4.4846 4.4849 4.4849 15.5863 15.5863 15.5864 15.5864 25.8213 25.8213 25.8374 25.8374 k = 0.0329 0.0569 0.2651 ( 1172 PWs) bands (ev): 1.9300 1.9300 1.9303 1.9303 2.1793 2.1793 2.1799 2.1799 2.7743 2.7743 2.7761 2.7761 3.0999 3.0999 3.1018 3.1018 3.3529 3.3529 3.3531 3.3531 4.4553 4.4553 4.4556 4.4556 15.5621 15.5621 15.5621 15.5621 25.9931 25.9931 26.0055 26.0055 k = 0.0282 0.0488 0.2651 ( 1172 PWs) bands (ev): 1.9224 1.9224 1.9226 1.9226 2.1780 2.1780 2.1784 2.1784 2.7728 2.7728 2.7739 2.7739 3.1058 3.1058 3.1070 3.1070 3.3598 3.3598 3.3599 3.3599 4.4296 4.4296 4.4297 4.4297 15.5410 15.5410 15.5410 15.5410 26.1425 26.1425 26.1512 26.1512 k = 0.0235 0.0407 0.2651 ( 1172 PWs) bands (ev): 1.9158 1.9158 1.9159 1.9159 2.1769 2.1769 2.1771 2.1771 2.7715 2.7715 2.7721 2.7721 3.1109 3.1109 3.1116 3.1116 3.3660 3.3660 3.3661 3.3661 4.4074 4.4074 4.4075 4.4075 15.5232 15.5232 15.5232 15.5232 26.2656 26.2656 26.2711 26.2711 k = 0.0188 0.0325 0.2651 ( 1172 PWs) bands (ev): 1.9103 1.9103 1.9103 1.9103 2.1759 2.1759 2.1760 2.1760 2.7705 2.7705 2.7708 2.7708 3.1150 3.1150 3.1154 3.1154 3.3715 3.3715 3.3715 3.3715 4.3891 4.3891 4.3891 4.3891 15.5086 15.5086 15.5086 15.5086 26.3605 26.3605 26.3634 26.3634 k = 0.0141 0.0244 0.2651 ( 1172 PWs) bands (ev): 1.9059 1.9059 1.9059 1.9059 2.1751 2.1751 2.1751 2.1751 2.7696 2.7696 2.7697 2.7697 3.1182 3.1182 3.1184 3.1184 3.3760 3.3760 3.3760 3.3760 4.3746 4.3746 4.3747 4.3747 15.4972 15.4972 15.4972 15.4972 26.4283 26.4283 26.4296 26.4296 k = 0.0094 0.0163 0.2651 ( 1172 PWs) bands (ev): 1.9027 1.9027 1.9027 1.9027 2.1745 2.1745 2.1745 2.1745 2.7690 2.7690 2.7691 2.7691 3.1205 3.1205 3.1205 3.1205 3.3793 3.3793 3.3793 3.3793 4.3642 4.3642 4.3642 4.3642 15.4890 15.4890 15.4890 15.4890 26.4725 26.4725 26.4728 26.4728 k = 0.0047 0.0081 0.2651 ( 1172 PWs) bands (ev): 1.9008 1.9008 1.9008 1.9008 2.1741 2.1741 2.1741 2.1741 2.7686 2.7686 2.7687 2.7687 3.1218 3.1218 3.1218 3.1218 3.3814 3.3814 3.3814 3.3814 4.3579 4.3579 4.3579 4.3579 15.4842 15.4842 15.4842 15.4842 26.4970 26.4970 26.4970 26.4970 k = 0.0000 0.0000 0.2651 ( 1172 PWs) bands (ev): 1.9002 1.9002 1.9002 1.9002 2.1740 2.1740 2.1740 2.1740 2.7685 2.7685 2.7685 2.7685 3.1223 3.1223 3.1223 3.1223 3.3821 3.3821 3.3821 3.3821 4.3558 4.3558 4.3558 4.3558 15.4825 15.4825 15.4825 15.4825 26.5048 26.5048 26.5048 26.5048 k = 0.5000 0.2887 0.2651 ( 1120 PWs) bands (ev): 1.7464 1.7464 1.7464 1.7464 2.0176 2.0176 2.0176 2.0176 2.9877 2.9877 2.9877 2.9877 3.3361 3.3361 3.3361 3.3361 3.6808 3.6808 3.6808 3.6808 10.1850 10.1850 10.1850 10.1850 11.8683 11.8683 11.8683 11.8683 19.8453 19.8453 19.8453 19.8453 k = 0.5000 0.2887 0.2560 ( 1120 PWs) bands (ev): 1.7424 1.7424 1.7503 1.7503 2.0094 2.0094 2.0267 2.0267 2.9753 2.9753 3.0000 3.0000 3.3269 3.3269 3.3444 3.3444 3.6774 3.6774 3.6841 3.6841 10.1640 10.1640 10.2008 10.2008 11.8689 11.8689 11.8787 11.8787 19.7887 19.7887 19.8735 19.8735 k = 0.5000 0.2887 0.2468 ( 1122 PWs) bands (ev): 1.7381 1.7381 1.7539 1.7539 2.0020 2.0020 2.0367 2.0367 2.9630 2.9630 3.0123 3.0123 3.3169 3.3169 3.3518 3.3518 3.6740 3.6740 3.6875 3.6875 10.1380 10.1380 10.2113 10.2113 11.8805 11.8805 11.8998 11.8998 19.7057 19.7057 19.8728 19.8728 k = 0.5000 0.2887 0.2377 ( 1122 PWs) bands (ev): 1.7337 1.7337 1.7574 1.7574 1.9956 1.9956 2.0474 2.0474 2.9507 2.9507 3.0244 3.0244 3.3062 3.3062 3.3582 3.3582 3.6707 3.6707 3.6908 3.6908 10.1078 10.1078 10.2164 10.2164 11.9029 11.9029 11.9313 11.9313 19.5992 19.5992 19.8442 19.8442 k = 0.5000 0.2887 0.2286 ( 1122 PWs) bands (ev): 1.7291 1.7291 1.7607 1.7607 1.9900 1.9900 2.0588 2.0588 2.9386 2.9386 3.0364 3.0364 3.2947 3.2947 3.3638 3.3638 3.6676 3.6676 3.6940 3.6940 10.0740 10.0740 10.2165 10.2165 11.9355 11.9355 11.9725 11.9725 19.4725 19.4725 19.7900 19.7900 k = 0.5000 0.2887 0.2194 ( 1130 PWs) bands (ev): 1.7245 1.7245 1.7637 1.7637 1.9853 1.9853 2.0709 2.0709 2.9266 2.9266 3.0482 3.0482 3.2827 3.2827 3.3685 3.3685 3.6645 3.6645 3.6970 3.6970 10.0372 10.0372 10.2121 10.2121 11.9778 11.9778 12.0229 12.0229 19.3290 19.3290 19.7134 19.7134 k = 0.5000 0.2887 0.2103 ( 1130 PWs) bands (ev): 1.7197 1.7197 1.7667 1.7667 1.9814 1.9814 2.0836 2.0836 2.9149 2.9149 3.0596 3.0596 3.2701 3.2701 3.3722 3.3722 3.6616 3.6616 3.6998 3.6998 9.9983 9.9983 10.2038 10.2038 12.0288 12.0288 12.0818 12.0818 19.1719 19.1719 19.6179 19.6179 k = 0.5000 0.2887 0.2011 ( 1130 PWs) bands (ev): 1.7149 1.7149 1.7695 1.7695 1.9782 1.9782 2.0967 2.0967 2.9035 2.9035 3.0708 3.0708 3.2571 3.2571 3.3751 3.3751 3.6588 3.6588 3.7024 3.7024 9.9578 9.9578 10.1922 10.1922 12.0880 12.0880 12.1485 12.1485 19.0040 19.0040 19.5070 19.5070 k = 0.5000 0.2887 0.1920 ( 1132 PWs) bands (ev): 1.7101 1.7101 1.7722 1.7722 1.9758 1.9758 2.1103 2.1103 2.8924 2.8924 3.0815 3.0815 3.2438 3.2438 3.3770 3.3770 3.6561 3.6561 3.7048 3.7048 9.9165 9.9165 10.1781 10.1781 12.1543 12.1543 12.2223 12.2223 18.8277 18.8277 19.3839 19.3839 k = 0.5000 0.2887 0.1828 ( 1132 PWs) bands (ev): 1.7052 1.7052 1.7749 1.7749 1.9740 1.9740 2.1241 2.1241 2.8818 2.8818 3.0917 3.0917 3.2303 3.2303 3.3782 3.3782 3.6537 3.6537 3.7069 3.7069 9.8749 9.8749 10.1620 10.1620 12.2271 12.2271 12.3027 12.3027 18.6448 18.6448 19.2515 19.2515 k = 0.5000 0.2887 0.1737 ( 1134 PWs) bands (ev): 1.7004 1.7004 1.7775 1.7775 1.9727 1.9727 2.1381 2.1381 2.8716 2.8716 3.1014 3.1014 3.2168 3.2168 3.3786 3.3786 3.6513 3.6513 3.7088 3.7088 9.8334 9.8334 10.1445 10.1445 12.3056 12.3056 12.3892 12.3892 18.4571 18.4571 19.1122 19.1122 k = 0.5000 0.2887 0.1646 ( 1134 PWs) bands (ev): 1.6957 1.6957 1.7803 1.7803 1.9720 1.9720 2.1522 2.1522 2.8619 2.8619 3.1104 3.1104 3.2035 3.2035 3.3782 3.3782 3.6492 3.6492 3.7104 3.7104 9.7925 9.7925 10.1261 10.1261 12.3890 12.3890 12.4813 12.4813 18.2658 18.2658 18.9679 18.9679 k = 0.5000 0.2887 0.1554 ( 1134 PWs) bands (ev): 1.6910 1.6910 1.7830 1.7830 1.9717 1.9717 2.1662 2.1662 2.8529 2.8529 3.1185 3.1185 3.1905 3.1905 3.3772 3.3772 3.6471 3.6471 3.7117 3.7117 9.7526 9.7526 10.1073 10.1073 12.4766 12.4766 12.5787 12.5787 18.0720 18.0720 18.8204 18.8204 k = 0.5000 0.2887 0.1463 ( 1132 PWs) bands (ev): 1.6865 1.6865 1.7859 1.7859 1.9717 1.9717 2.1800 2.1800 2.8446 2.8446 3.1254 3.1254 3.1783 3.1783 3.3755 3.3755 3.6453 3.6453 3.7128 3.7128 9.7139 9.7139 10.0885 10.0885 12.5677 12.5677 12.6809 12.6809 17.8766 17.8766 18.6713 18.6713 k = 0.5000 0.2887 0.1371 ( 1132 PWs) bands (ev): 1.6821 1.6821 1.7889 1.7889 1.9720 1.9720 2.1934 2.1934 2.8371 2.8371 3.1302 3.1302 3.1678 3.1678 3.3734 3.3734 3.6435 3.6435 3.7136 3.7136 9.6768 9.6768 10.0698 10.0698 12.6616 12.6616 12.7879 12.7879 17.6804 17.6804 18.5217 18.5217 k = 0.5000 0.2887 0.1280 ( 1136 PWs) bands (ev): 1.6779 1.6779 1.7919 1.7919 1.9725 1.9725 2.2063 2.2063 2.8303 2.8303 3.1312 3.1312 3.1608 3.1608 3.3707 3.3707 3.6419 3.6419 3.7143 3.7143 9.6413 9.6413 10.0516 10.0516 12.7575 12.7575 12.8994 12.8994 17.4839 17.4839 18.3728 18.3728 k = 0.5000 0.2887 0.1189 ( 1136 PWs) bands (ev): 1.6738 1.6738 1.7951 1.7951 1.9731 1.9731 2.2186 2.2186 2.8245 2.8245 3.1265 3.1265 3.1592 3.1592 3.3678 3.3678 3.6404 3.6404 3.7148 3.7148 9.6078 9.6078 10.0342 10.0342 12.8546 12.8546 13.0153 13.0153 17.2877 17.2877 18.2258 18.2258 k = 0.5000 0.2887 0.1097 ( 1134 PWs) bands (ev): 1.6700 1.6700 1.7984 1.7984 1.9739 1.9739 2.2302 2.2302 2.8196 2.8196 3.1182 3.1182 3.1608 3.1608 3.3646 3.3646 3.6390 3.6390 3.7151 3.7151 9.5763 9.5763 10.0175 10.0175 12.9521 12.9521 13.1355 13.1355 17.0921 17.0921 18.0817 18.0817 k = 0.5000 0.2887 0.1006 ( 1130 PWs) bands (ev): 1.6664 1.6664 1.8017 1.8017 1.9747 1.9747 2.2408 2.2408 2.8157 2.8157 3.1089 3.1089 3.1634 3.1634 3.3613 3.3613 3.6378 3.6378 3.7152 3.7152 9.5470 9.5470 10.0019 10.0019 13.0490 13.0490 13.2599 13.2599 16.8976 16.8976 17.9415 17.9415 k = 0.5000 0.2887 0.0914 ( 1130 PWs) bands (ev): 1.6631 1.6631 1.8050 1.8050 1.9755 1.9755 2.2506 2.2506 2.8128 2.8128 3.0997 3.0997 3.1657 3.1657 3.3580 3.3580 3.6367 3.6367 3.7153 3.7153 9.5200 9.5200 9.9873 9.9873 13.1444 13.1444 13.3884 13.3884 16.7045 16.7045 17.8064 17.8064 k = 0.5000 0.2887 0.0823 ( 1130 PWs) bands (ev): 1.6600 1.6600 1.8083 1.8083 1.9763 1.9763 2.2593 2.2593 2.8108 2.8108 3.0910 3.0910 3.1674 3.1674 3.3549 3.3549 3.6356 3.6356 3.7153 3.7153 9.4953 9.4953 9.9740 9.9740 13.2371 13.2371 13.5210 13.5210 16.5131 16.5131 17.6774 17.6774 k = 0.5000 0.2887 0.0731 ( 1128 PWs) bands (ev): 1.6572 1.6572 1.8115 1.8115 1.9771 1.9771 2.2669 2.2669 2.8096 2.8096 3.0829 3.0829 3.1684 3.1684 3.3519 3.3519 3.6347 3.6347 3.7153 3.7153 9.4731 9.4731 9.9619 9.9619 13.3261 13.3261 13.6576 13.6576 16.3235 16.3235 17.5559 17.5559 k = 0.5000 0.2887 0.0640 ( 1122 PWs) bands (ev): 1.6547 1.6547 1.8145 1.8145 1.9778 1.9778 2.2735 2.2735 2.8092 2.8092 3.0757 3.0757 3.1687 3.1687 3.3493 3.3493 3.6339 3.6339 3.7152 3.7152 9.4534 9.4534 9.9511 9.9511 13.4100 13.4100 13.7980 13.7980 16.1361 16.1361 17.4431 17.4431 k = 0.5000 0.2887 0.0549 ( 1126 PWs) bands (ev): 1.6525 1.6525 1.8173 1.8173 1.9784 1.9784 2.2790 2.2790 2.8094 2.8094 3.0694 3.0694 3.1685 3.1685 3.3470 3.3470 3.6332 3.6332 3.7151 3.7151 9.4362 9.4362 9.9417 9.9417 13.4874 13.4874 13.9422 13.9422 15.9511 15.9511 17.3406 17.3406 k = 0.5000 0.2887 0.0457 ( 1126 PWs) bands (ev): 1.6506 1.6506 1.8198 1.8198 1.9790 1.9790 2.2836 2.2836 2.8101 2.8101 3.0640 3.0640 3.1678 3.1678 3.3451 3.3451 3.6327 3.6327 3.7150 3.7150 9.4217 9.4217 9.9337 9.9337 13.5568 13.5568 14.0899 14.0899 15.7687 15.7687 17.2499 17.2499 k = 0.5000 0.2887 0.0366 ( 1132 PWs) bands (ev): 1.6491 1.6491 1.8220 1.8220 1.9794 1.9794 2.2872 2.2872 2.8109 2.8109 3.0596 3.0596 3.1668 3.1668 3.3435 3.3435 3.6322 3.6322 3.7149 3.7149 9.4097 9.4097 9.9271 9.9271 13.6165 13.6165 14.2409 14.2409 15.5892 15.5892 17.1727 17.1727 k = 0.5000 0.2887 0.0274 ( 1132 PWs) bands (ev): 1.6479 1.6479 1.8237 1.8237 1.9798 1.9798 2.2899 2.2899 2.8119 2.8119 3.0562 3.0562 3.1658 3.1658 3.3424 3.3424 3.6318 3.6318 3.7148 3.7148 9.4004 9.4004 9.9220 9.9220 13.6651 13.6651 14.3948 14.3948 15.4131 15.4131 17.1105 17.1105 k = 0.5000 0.2887 0.0183 ( 1132 PWs) bands (ev): 1.6470 1.6470 1.8250 1.8250 1.9800 1.9800 2.2917 2.2917 2.8127 2.8127 3.0538 3.0538 3.1650 3.1650 3.3416 3.3416 3.6315 3.6315 3.7147 3.7147 9.3937 9.3937 9.9183 9.9183 13.7010 13.7010 14.5505 14.5505 15.2417 15.2417 17.0649 17.0649 k = 0.5000 0.2887 0.0091 ( 1128 PWs) bands (ev): 1.6465 1.6465 1.8258 1.8258 1.9802 1.9802 2.2928 2.2928 2.8133 2.8133 3.0523 3.0523 3.1644 3.1644 3.3411 3.3411 3.6314 3.6314 3.7147 3.7147 9.3897 9.3897 9.9161 9.9161 13.7230 13.7230 14.7032 14.7032 15.0795 15.0795 17.0369 17.0369 k = 0.5000 0.2887-0.0000 ( 1128 PWs) bands (ev): 1.6463 1.6463 1.8261 1.8261 1.9802 1.9802 2.2932 2.2932 2.8135 2.8135 3.0518 3.0518 3.1642 3.1642 3.3409 3.3409 3.6313 3.6313 3.7147 3.7147 9.3884 9.3884 9.9153 9.9153 13.7305 13.7305 14.8039 14.8039 14.9756 14.9756 17.0275 17.0275 k = 0.3333 0.5774-0.0000 ( 1152 PWs) bands (ev): 2.0811 2.0811 2.2387 2.2387 2.2568 2.2568 2.2768 2.2768 2.7895 2.7895 2.8515 2.8515 3.0184 3.0184 3.0774 3.0774 3.2544 3.2544 3.3365 3.3365 11.7582 11.7582 11.8406 11.8406 12.1574 12.1574 16.1112 16.1112 16.5463 16.5463 16.7700 16.7700 k = 0.3333 0.5774 0.0091 ( 1158 PWs) bands (ev): 2.0814 2.0814 2.2385 2.2385 2.2562 2.2562 2.2769 2.2769 2.7901 2.7901 2.8508 2.8508 3.0181 3.0181 3.0777 3.0777 3.2548 3.2548 3.3364 3.3364 11.7596 11.7596 11.8420 11.8420 12.1593 12.1593 16.1032 16.1032 16.5051 16.5051 16.7149 16.7149 k = 0.3333 0.5774 0.0183 ( 1158 PWs) bands (ev): 2.0824 2.0824 2.2380 2.2380 2.2547 2.2547 2.2772 2.2772 2.7920 2.7920 2.8490 2.8490 3.0172 3.0172 3.0783 3.0783 3.2560 3.2560 3.3364 3.3364 11.7637 11.7637 11.8463 11.8463 12.1650 12.1650 16.0794 16.0794 16.4037 16.4037 16.5946 16.5946 k = 0.3333 0.5774 0.0274 ( 1152 PWs) bands (ev): 2.0840 2.0840 2.2372 2.2372 2.2522 2.2522 2.2776 2.2776 2.7950 2.7950 2.8459 2.8459 3.0156 3.0156 3.0793 3.0793 3.2580 3.2580 3.3363 3.3363 11.7706 11.7706 11.8534 11.8534 12.1744 12.1744 16.0401 16.0401 16.2735 16.2735 16.4540 16.4540 k = 0.3333 0.5774 0.0366 ( 1152 PWs) bands (ev): 2.0863 2.0863 2.2362 2.2362 2.2487 2.2487 2.2782 2.2782 2.7992 2.7992 2.8419 2.8419 3.0135 3.0135 3.0805 3.0805 3.2608 3.2608 3.3362 3.3362 11.7803 11.7803 11.8633 11.8633 12.1875 12.1875 15.9852 15.9852 16.1313 16.1313 16.3094 16.3094 k = 0.3333 0.5774 0.0457 ( 1146 PWs) bands (ev): 2.0892 2.0892 2.2349 2.2349 2.2444 2.2444 2.2790 2.2790 2.8044 2.8044 2.8370 2.8370 3.0107 3.0107 3.0818 3.0818 3.2644 3.2644 3.3360 3.3360 11.7927 11.7927 11.8761 11.8761 12.2044 12.2044 15.9143 15.9143 15.9843 15.9843 16.1678 16.1678 k = 0.3333 0.5774 0.0549 ( 1140 PWs) bands (ev): 2.0927 2.0927 2.2334 2.2334 2.2393 2.2393 2.2798 2.2798 2.8105 2.8105 2.8314 2.8314 3.0072 3.0072 3.0831 3.0831 3.2688 3.2688 3.3359 3.3359 11.8078 11.8078 11.8917 11.8917 12.2250 12.2250 15.8260 15.8260 15.8359 15.8359 16.0340 16.0340 k = 0.3333 0.5774 0.0640 ( 1140 PWs) bands (ev): 2.0967 2.0967 2.2317 2.2317 2.2336 2.2336 2.2806 2.2806 2.8174 2.8174 2.8253 2.8253 3.0030 3.0030 3.0842 3.0842 3.2741 3.2741 3.3357 3.3357 11.8257 11.8257 11.9102 11.9102 12.2492 12.2492 15.6877 15.6877 15.7194 15.7194 15.9115 15.9115 k = 0.3333 0.5774 0.0731 ( 1140 PWs) bands (ev): 2.1014 2.1014 2.2273 2.2273 2.2300 2.2300 2.2815 2.2815 2.8189 2.8189 2.8250 2.8250 2.9981 2.9981 3.0851 3.0851 3.2801 3.2801 3.3354 3.3354 11.8464 11.8464 11.9315 11.9315 12.2771 12.2771 15.5408 15.5408 15.5973 15.5973 15.7991 15.7991 k = 0.3333 0.5774 0.0823 ( 1146 PWs) bands (ev): 2.1065 2.1065 2.2206 2.2206 2.2281 2.2281 2.2823 2.2823 2.8124 2.8124 2.8332 2.8332 2.9924 2.9924 3.0857 3.0857 3.2868 3.2868 3.3351 3.3351 11.8698 11.8698 11.9557 11.9557 12.3085 12.3085 15.3957 15.3957 15.4660 15.4660 15.6925 15.6925 k = 0.3333 0.5774 0.0914 ( 1152 PWs) bands (ev): 2.1121 2.1121 2.2136 2.2136 2.2261 2.2261 2.2831 2.2831 2.8059 2.8059 2.8419 2.8419 2.9859 2.9859 3.0861 3.0861 3.2941 3.2941 3.3348 3.3348 11.8959 11.8959 11.9828 11.9828 12.3436 12.3436 15.2528 15.2528 15.3305 15.3305 15.5877 15.5877 k = 0.3333 0.5774 0.1006 ( 1152 PWs) bands (ev): 2.1182 2.1182 2.2064 2.2064 2.2241 2.2241 2.2838 2.2838 2.7995 2.7995 2.8508 2.8508 2.9788 2.9788 3.0863 3.0863 3.3018 3.3018 3.3345 3.3345 11.9249 11.9249 12.0127 12.0127 12.3821 12.3821 15.1124 15.1124 15.1940 15.1940 15.4828 15.4828 k = 0.3333 0.5774 0.1097 ( 1152 PWs) bands (ev): 2.1247 2.1247 2.1990 2.1990 2.2221 2.2221 2.2844 2.2844 2.7934 2.7934 2.8600 2.8600 2.9708 2.9708 3.0862 3.0862 3.3099 3.3099 3.3342 3.3342 11.9565 11.9565 12.0454 12.0454 12.4240 12.4240 14.9747 14.9747 15.0583 15.0583 15.3770 15.3770 k = 0.3333 0.5774 0.1189 ( 1152 PWs) bands (ev): 2.1315 2.1315 2.1917 2.1917 2.2201 2.2201 2.2850 2.2850 2.7877 2.7877 2.8693 2.8693 2.9622 2.9622 3.0860 3.0860 3.3182 3.3182 3.3338 3.3338 11.9908 11.9908 12.0811 12.0811 12.4694 12.4694 14.8398 14.8398 14.9241 14.9241 15.2702 15.2702 k = 0.3333 0.5774 0.1280 ( 1152 PWs) bands (ev): 2.1386 2.1386 2.1844 2.1844 2.2181 2.2181 2.2853 2.2853 2.7824 2.7824 2.8785 2.8785 2.9530 2.9530 3.0857 3.0857 3.3267 3.3267 3.3334 3.3334 12.0279 12.0279 12.1195 12.1195 12.5180 12.5180 14.7079 14.7079 14.7922 14.7922 15.1627 15.1627 k = 0.3333 0.5774 0.1371 ( 1152 PWs) bands (ev): 2.1459 2.1459 2.1772 2.1772 2.2161 2.2161 2.2856 2.2856 2.7776 2.7776 2.8877 2.8877 2.9432 2.9432 3.0853 3.0853 3.3330 3.3330 3.3351 3.3351 12.0676 12.0676 12.1608 12.1608 12.5699 12.5699 14.5791 14.5791 14.6627 14.6627 15.0547 15.0547 k = 0.3333 0.5774 0.1463 ( 1152 PWs) bands (ev): 2.1534 2.1534 2.1702 2.1702 2.2143 2.2143 2.2856 2.2856 2.7735 2.7735 2.8966 2.8966 2.9329 2.9329 3.0848 3.0848 3.3326 3.3326 3.3434 3.3434 12.1099 12.1099 12.2049 12.2049 12.6251 12.6251 14.4536 14.4536 14.5360 14.5360 14.9465 14.9465 k = 0.3333 0.5774 0.1554 ( 1149 PWs) bands (ev): 2.1610 2.1610 2.1635 2.1635 2.2125 2.2125 2.2854 2.2854 2.7701 2.7701 2.9052 2.9052 2.9222 2.9222 3.0843 3.0843 3.3322 3.3322 3.3514 3.3514 12.1547 12.1547 12.2517 12.2517 12.6833 12.6833 14.3314 14.3314 14.4123 14.4123 14.8383 14.8383 k = 0.3333 0.5774 0.1646 ( 1149 PWs) bands (ev): 2.1572 2.1572 2.1684 2.1684 2.2110 2.2110 2.2851 2.2851 2.7674 2.7674 2.9111 2.9111 2.9134 2.9134 3.0838 3.0838 3.3317 3.3317 3.3592 3.3592 12.2020 12.2020 12.3012 12.3012 12.7446 12.7446 14.2128 14.2128 14.2918 14.2918 14.7305 14.7305 k = 0.3333 0.5774 0.1737 ( 1152 PWs) bands (ev): 2.1512 2.1512 2.1757 2.1757 2.2098 2.2098 2.2845 2.2845 2.7655 2.7655 2.8998 2.8998 2.9212 2.9212 3.0833 3.0833 3.3313 3.3313 3.3665 3.3665 12.2516 12.2516 12.3534 12.3534 12.8088 12.8088 14.0980 14.0980 14.1746 14.1746 14.6234 14.6234 k = 0.3333 0.5774 0.1828 ( 1146 PWs) bands (ev): 2.1457 2.1457 2.1826 2.1826 2.2090 2.2090 2.2837 2.2837 2.7645 2.7645 2.8884 2.8884 2.9285 2.9285 3.0828 3.0828 3.3309 3.3309 3.3734 3.3734 12.3033 12.3033 12.4080 12.4080 12.8758 12.8758 13.9871 13.9871 14.0610 14.0610 14.5171 14.5171 k = 0.3333 0.5774 0.1920 ( 1140 PWs) bands (ev): 2.1407 2.1407 2.1885 2.1885 2.2090 2.2090 2.2826 2.2826 2.7644 2.7644 2.8770 2.8770 2.9352 2.9352 3.0823 3.0823 3.3305 3.3305 3.3797 3.3797 12.3568 12.3568 12.4649 12.4649 12.9456 12.9456 13.8805 13.8805 13.9511 13.9511 14.4119 14.4119 k = 0.3333 0.5774 0.2011 ( 1143 PWs) bands (ev): 2.1361 2.1361 2.1929 2.1929 2.2105 2.2105 2.2813 2.2813 2.7652 2.7652 2.8657 2.8657 2.9412 2.9412 3.0819 3.0819 3.3301 3.3301 3.3854 3.3854 12.4117 12.4117 12.5239 12.5239 13.0180 13.0180 13.7787 13.7787 13.8454 13.8454 14.3080 14.3080 k = 0.3333 0.5774 0.2103 ( 1143 PWs) bands (ev): 2.1322 2.1322 2.1953 2.1953 2.2138 2.2138 2.2797 2.2797 2.7669 2.7669 2.8546 2.8546 2.9465 2.9465 3.0816 3.0816 3.3298 3.3298 3.3904 3.3904 12.4673 12.4673 12.5843 12.5843 13.0927 13.0927 13.6823 13.6823 13.7444 13.7444 14.2058 14.2058 k = 0.3333 0.5774 0.2194 ( 1137 PWs) bands (ev): 2.1287 2.1287 2.1962 2.1962 2.2183 2.2183 2.2780 2.2780 2.7696 2.7696 2.8437 2.8437 2.9511 2.9511 3.0812 3.0812 3.3295 3.3295 3.3948 3.3948 12.5228 12.5228 12.6455 12.6455 13.1696 13.1696 13.5924 13.5924 13.6489 13.6489 14.1054 14.1054 k = 0.3333 0.5774 0.2286 ( 1137 PWs) bands (ev): 2.1259 2.1259 2.1963 2.1963 2.2231 2.2231 2.2761 2.2761 2.7733 2.7733 2.8332 2.8332 2.9549 2.9549 3.0810 3.0810 3.3293 3.3293 3.3984 3.3984 12.5764 12.5764 12.7062 12.7062 13.2479 13.2479 13.5105 13.5105 13.5604 13.5604 14.0075 14.0075 k = 0.3333 0.5774 0.2377 ( 1137 PWs) bands (ev): 2.1237 2.1237 2.1961 2.1961 2.2276 2.2276 2.2743 2.2743 2.7779 2.7779 2.8232 2.8232 2.9579 2.9579 3.0808 3.0808 3.3291 3.3291 3.4012 3.4012 12.6259 12.6259 12.7641 12.7641 13.3263 13.3263 13.4390 13.4390 13.4820 13.4820 13.9127 13.9127 k = 0.3333 0.5774 0.2468 ( 1137 PWs) bands (ev): 2.1221 2.1221 2.1960 2.1960 2.2312 2.2312 2.2726 2.2726 2.7834 2.7834 2.8138 2.8138 2.9601 2.9601 3.0806 3.0806 3.3289 3.3289 3.4032 3.4032 12.6674 12.6674 12.8150 12.8150 13.3817 13.3817 13.3889 13.3889 13.4315 13.4315 13.8233 13.8233 k = 0.3333 0.5774 0.2560 ( 1140 PWs) bands (ev): 2.1211 2.1211 2.1958 2.1958 2.2336 2.2336 2.2714 2.2714 2.7898 2.7898 2.8051 2.8051 2.9614 2.9614 3.0805 3.0805 3.3288 3.3288 3.4045 3.4045 12.6959 12.6959 12.8520 12.8520 13.3438 13.3438 13.3620 13.3620 13.4830 13.4830 13.7459 13.7459 k = 0.3333 0.5774 0.2651 ( 1140 PWs) bands (ev): 2.1208 2.1208 2.1958 2.1958 2.2345 2.2345 2.2710 2.2710 2.7968 2.7968 2.7972 2.7972 2.9618 2.9618 3.0805 3.0805 3.3288 3.3288 3.4049 3.4049 12.7062 12.7062 12.8659 12.8659 13.3304 13.3304 13.3460 13.3460 13.5176 13.5176 13.7081 13.7081 Writing output data file Cd.save init_run : 0.38s CPU 0.77s WALL ( 1 calls) electrons : 74.10s CPU 76.72s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.09s WALL ( 1 calls) potinit : 0.02s CPU 0.09s WALL ( 1 calls) Called by electrons: c_bands : 74.09s CPU 76.72s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.04s CPU 0.06s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.01s CPU 0.03s WALL ( 434 calls) cegterg : 69.21s CPU 70.67s WALL ( 579 calls) Called by sum_band: Called by *egterg: h_psi : 30.08s CPU 30.57s WALL ( 9732 calls) s_psi : 1.20s CPU 1.37s WALL ( 9732 calls) g_psi : 0.07s CPU 0.06s WALL ( 8719 calls) cdiaghg : 36.28s CPU 37.13s WALL ( 9153 calls) cegterg:over : 1.84s CPU 1.99s WALL ( 8719 calls) cegterg:upda : 1.41s CPU 1.30s WALL ( 8719 calls) cegterg:last : 0.66s CPU 0.66s WALL ( 1509 calls) cdiaghg:chol : 1.74s CPU 1.79s WALL ( 9153 calls) cdiaghg:inve : 1.02s CPU 1.00s WALL ( 9153 calls) cdiaghg:para : 2.08s CPU 2.06s WALL ( 18306 calls) Called by h_psi: h_psi:vloc : 26.76s CPU 27.17s WALL ( 9732 calls) h_psi:vnl : 3.26s CPU 3.36s WALL ( 9732 calls) add_vuspsi : 1.78s CPU 1.86s WALL ( 9732 calls) General routines calbec : 1.45s CPU 1.47s WALL ( 9732 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 24.27s CPU 24.52s WALL ( 646896 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.06s CPU 0.09s WALL ( 868 calls) Parallel routines fft_scatter : 12.51s CPU 12.53s WALL ( 646919 calls) PWSCF : 1m22.87s CPU 1m42.11s WALL This run was terminated on: 16:55: 3 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=