Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 17:23:16 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: ./Zr3Co.save/ Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 77 77 21 2601 2601 385 Max 78 78 22 2604 2604 388 Sum 2803 2803 769 93669 93669 13899 bravais-lattice index = 14 lattice parameter (alat) = 11.2741 a.u. unit-cell volume = 969.3476 (a.u.)^3 number of atoms/cell = 8 number of atomic types = 2 number of electrons = 58.00 number of Kohn-Sham states= 70 kinetic-energy cutoff = 80.0000 Ry charge density cutoff = 320.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 11.274105 celldm(2)= 1.000000 celldm(3)= 0.781093 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 0.781093 ) 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 1.280258 ) PseudoPot. # 1 for Zr read from file: /users/gautes/Pseudo/Zr.rel-pbe-n-nc.UPF MD5 check sum: 453101d5cee66cf3691e2371f73c5d7d Pseudo is Norm-conserving + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1225 points, 4 beta functions with: l(1) = 1 l(2) = 1 l(3) = 2 l(4) = 2 PseudoPot. # 2 for Co read from file: /users/gautes/Pseudo/Co.rel-pbe-oncvpsp.UPF MD5 check sum: 638ceb3e57836b9ea4bada7149e48805 Pseudo is Norm-conserving, Zval = 17.0 Generated using ONCVPSP code by D. R. Hamann Using radial grid of 1388 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 atomic species valence mass pseudopotential Zr 4.00 91.22400 Zr( 1.00) Co 17.00 58.93320 Co( 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 ) ( -0.3905464 ) 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 ) ( 0.3905464 ) 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 ) ( -0.3905464 ) 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 ) ( -0.3905464 ) 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 ) ( 0.3905464 ) 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 ) ( 0.3905464 ) 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 ) ( 0.3905464 ) 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 ) ( -0.3905464 ) 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 ) ( 0.3905464 ) 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 ) ( 0.3905464 ) 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 ) ( -0.3905464 ) 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 ) ( -0.3905464 ) 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= 281 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035587 k( 2) = ( 0.0161290 0.0093121 -0.0000000), wk = 0.0035587 k( 3) = ( 0.0322581 0.0186242 -0.0000000), wk = 0.0035587 k( 4) = ( 0.0483871 0.0279363 -0.0000000), wk = 0.0035587 k( 5) = ( 0.0645161 0.0372484 -0.0000000), wk = 0.0035587 k( 6) = ( 0.0806452 0.0465605 -0.0000000), wk = 0.0035587 k( 7) = ( 0.0967742 0.0558726 -0.0000000), wk = 0.0035587 k( 8) = ( 0.1129032 0.0651847 -0.0000000), wk = 0.0035587 k( 9) = ( 0.1290323 0.0744968 -0.0000000), wk = 0.0035587 k( 10) = ( 0.1451613 0.0838089 -0.0000000), wk = 0.0035587 k( 11) = ( 0.1612903 0.0931210 -0.0000000), wk = 0.0035587 k( 12) = ( 0.1774194 0.1024331 -0.0000000), wk = 0.0035587 k( 13) = ( 0.1935484 0.1117452 -0.0000000), wk = 0.0035587 k( 14) = ( 0.2096774 0.1210573 -0.0000000), wk = 0.0035587 k( 15) = ( 0.2258064 0.1303694 -0.0000000), wk = 0.0035587 k( 16) = ( 0.2419355 0.1396815 -0.0000000), wk = 0.0035587 k( 17) = ( 0.2580645 0.1489936 -0.0000000), wk = 0.0035587 k( 18) = ( 0.2741936 0.1583057 -0.0000000), wk = 0.0035587 k( 19) = ( 0.2903226 0.1676178 -0.0000000), wk = 0.0035587 k( 20) = ( 0.3064516 0.1769299 -0.0000000), wk = 0.0035587 k( 21) = ( 0.3225807 0.1862420 -0.0000000), wk = 0.0035587 k( 22) = ( 0.3387097 0.1955541 -0.0000000), wk = 0.0035587 k( 23) = ( 0.3548387 0.2048662 -0.0000000), wk = 0.0035587 k( 24) = ( 0.3709677 0.2141783 -0.0000000), wk = 0.0035587 k( 25) = ( 0.3870968 0.2234904 -0.0000000), wk = 0.0035587 k( 26) = ( 0.4032258 0.2328025 -0.0000000), wk = 0.0035587 k( 27) = ( 0.4193548 0.2421146 -0.0000000), wk = 0.0035587 k( 28) = ( 0.4354839 0.2514267 -0.0000000), wk = 0.0035587 k( 29) = ( 0.4516129 0.2607388 -0.0000000), wk = 0.0035587 k( 30) = ( 0.4677419 0.2700509 -0.0000000), wk = 0.0035587 k( 31) = ( 0.4838710 0.2793630 -0.0000000), wk = 0.0035587 k( 32) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0035587 k( 33) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0035587 k( 34) = ( 0.4907407 0.3047126 -0.0000000), wk = 0.0035587 k( 35) = ( 0.4814815 0.3207502 -0.0000000), wk = 0.0035587 k( 36) = ( 0.4722222 0.3367877 -0.0000000), wk = 0.0035587 k( 37) = ( 0.4629630 0.3528252 -0.0000000), wk = 0.0035587 k( 38) = ( 0.4537037 0.3688627 -0.0000000), wk = 0.0035587 k( 39) = ( 0.4444444 0.3849002 -0.0000000), wk = 0.0035587 k( 40) = ( 0.4351852 0.4009377 -0.0000000), wk = 0.0035587 k( 41) = ( 0.4259259 0.4169752 -0.0000000), wk = 0.0035587 k( 42) = ( 0.4166667 0.4330127 -0.0000000), wk = 0.0035587 k( 43) = ( 0.4074074 0.4490502 -0.0000000), wk = 0.0035587 k( 44) = ( 0.3981481 0.4650877 -0.0000000), wk = 0.0035587 k( 45) = ( 0.3888889 0.4811252 -0.0000000), wk = 0.0035587 k( 46) = ( 0.3796296 0.4971627 -0.0000000), wk = 0.0035587 k( 47) = ( 0.3703704 0.5132002 -0.0000000), wk = 0.0035587 k( 48) = ( 0.3611111 0.5292377 -0.0000000), wk = 0.0035587 k( 49) = ( 0.3518519 0.5452753 -0.0000000), wk = 0.0035587 k( 50) = ( 0.3425926 0.5613128 -0.0000000), wk = 0.0035587 k( 51) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0035587 k( 52) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0035587 k( 53) = ( 0.3240741 0.5613128 -0.0000000), wk = 0.0035587 k( 54) = ( 0.3148148 0.5452752 -0.0000000), wk = 0.0035587 k( 55) = ( 0.3055556 0.5292378 -0.0000000), wk = 0.0035587 k( 56) = ( 0.2962963 0.5132002 -0.0000000), wk = 0.0035587 k( 57) = ( 0.2870370 0.4971627 -0.0000000), wk = 0.0035587 k( 58) = ( 0.2777778 0.4811252 -0.0000000), wk = 0.0035587 k( 59) = ( 0.2685185 0.4650877 -0.0000000), wk = 0.0035587 k( 60) = ( 0.2592593 0.4490502 -0.0000000), wk = 0.0035587 k( 61) = ( 0.2500000 0.4330127 -0.0000000), wk = 0.0035587 k( 62) = ( 0.2407407 0.4169752 -0.0000000), wk = 0.0035587 k( 63) = ( 0.2314815 0.4009377 -0.0000000), wk = 0.0035587 k( 64) = ( 0.2222222 0.3849002 -0.0000000), wk = 0.0035587 k( 65) = ( 0.2129630 0.3688627 -0.0000000), wk = 0.0035587 k( 66) = ( 0.2037037 0.3528252 -0.0000000), wk = 0.0035587 k( 67) = ( 0.1944444 0.3367876 -0.0000000), wk = 0.0035587 k( 68) = ( 0.1851852 0.3207502 -0.0000000), wk = 0.0035587 k( 69) = ( 0.1759259 0.3047126 -0.0000000), wk = 0.0035587 k( 70) = ( 0.1666667 0.2886751 -0.0000000), wk = 0.0035587 k( 71) = ( 0.1574074 0.2726376 -0.0000000), wk = 0.0035587 k( 72) = ( 0.1481482 0.2566001 -0.0000000), wk = 0.0035587 k( 73) = ( 0.1388889 0.2405626 -0.0000000), wk = 0.0035587 k( 74) = ( 0.1296296 0.2245251 -0.0000000), wk = 0.0035587 k( 75) = ( 0.1203704 0.2084876 -0.0000000), wk = 0.0035587 k( 76) = ( 0.1111111 0.1924501 -0.0000000), wk = 0.0035587 k( 77) = ( 0.1018518 0.1764126 -0.0000000), wk = 0.0035587 k( 78) = ( 0.0925926 0.1603751 -0.0000000), wk = 0.0035587 k( 79) = ( 0.0833333 0.1443376 -0.0000000), wk = 0.0035587 k( 80) = ( 0.0740741 0.1283001 -0.0000000), wk = 0.0035587 k( 81) = ( 0.0648148 0.1122625 -0.0000000), wk = 0.0035587 k( 82) = ( 0.0555556 0.0962251 -0.0000000), wk = 0.0035587 k( 83) = ( 0.0462963 0.0801875 -0.0000000), wk = 0.0035587 k( 84) = ( 0.0370370 0.0641500 -0.0000000), wk = 0.0035587 k( 85) = ( 0.0277778 0.0481125 -0.0000000), wk = 0.0035587 k( 86) = ( 0.0185185 0.0320750 -0.0000000), wk = 0.0035587 k( 87) = ( 0.0092593 0.0160375 -0.0000000), wk = 0.0035587 k( 88) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035587 k( 89) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035587 k( 90) = ( 0.0000000 0.0000000 0.0188273), wk = 0.0035587 k( 91) = ( 0.0000000 0.0000000 0.0376546), wk = 0.0035587 k( 92) = ( 0.0000000 0.0000000 0.0564820), wk = 0.0035587 k( 93) = ( 0.0000000 0.0000000 0.0753093), wk = 0.0035587 k( 94) = ( 0.0000000 0.0000000 0.0941366), wk = 0.0035587 k( 95) = ( 0.0000000 0.0000000 0.1129639), wk = 0.0035587 k( 96) = ( 0.0000000 0.0000000 0.1317912), wk = 0.0035587 k( 97) = ( 0.0000000 0.0000000 0.1506185), wk = 0.0035587 k( 98) = ( 0.0000000 0.0000000 0.1694458), wk = 0.0035587 k( 99) = ( 0.0000000 0.0000000 0.1882732), wk = 0.0035587 k( 100) = ( 0.0000000 0.0000000 0.2071005), wk = 0.0035587 k( 101) = ( 0.0000000 0.0000000 0.2259278), wk = 0.0035587 k( 102) = ( 0.0000000 0.0000000 0.2447551), wk = 0.0035587 k( 103) = ( 0.0000000 0.0000000 0.2635824), wk = 0.0035587 k( 104) = ( 0.0000000 0.0000000 0.2824098), wk = 0.0035587 k( 105) = ( 0.0000000 0.0000000 0.3012371), wk = 0.0035587 k( 106) = ( 0.0000000 0.0000000 0.3200644), wk = 0.0035587 k( 107) = ( 0.0000000 0.0000000 0.3388917), wk = 0.0035587 k( 108) = ( 0.0000000 0.0000000 0.3577190), wk = 0.0035587 k( 109) = ( 0.0000000 0.0000000 0.3765463), wk = 0.0035587 k( 110) = ( 0.0000000 0.0000000 0.3953736), wk = 0.0035587 k( 111) = ( 0.0000000 0.0000000 0.4142010), wk = 0.0035587 k( 112) = ( 0.0000000 0.0000000 0.4330283), wk = 0.0035587 k( 113) = ( 0.0000000 0.0000000 0.4518556), wk = 0.0035587 k( 114) = ( 0.0000000 0.0000000 0.4706829), wk = 0.0035587 k( 115) = ( 0.0000000 0.0000000 0.4895102), wk = 0.0035587 k( 116) = ( 0.0000000 0.0000000 0.5083375), wk = 0.0035587 k( 117) = ( 0.0000000 0.0000000 0.5271649), wk = 0.0035587 k( 118) = ( 0.0000000 0.0000000 0.5459922), wk = 0.0035587 k( 119) = ( 0.0000000 0.0000000 0.5648195), wk = 0.0035587 k( 120) = ( 0.0000000 0.0000000 0.5836468), wk = 0.0035587 k( 121) = ( 0.0000000 0.0000000 0.6024741), wk = 0.0035587 k( 122) = ( 0.0000000 0.0000000 0.6213014), wk = 0.0035587 k( 123) = ( 0.0000000 0.0000000 0.6401288), wk = 0.0035587 k( 124) = ( 0.0000000 0.0000000 0.6401288), wk = 0.0035587 k( 125) = ( 0.0161290 0.0093121 0.6401288), wk = 0.0035587 k( 126) = ( 0.0322581 0.0186242 0.6401288), wk = 0.0035587 k( 127) = ( 0.0483871 0.0279363 0.6401288), wk = 0.0035587 k( 128) = ( 0.0645161 0.0372484 0.6401288), wk = 0.0035587 k( 129) = ( 0.0806452 0.0465605 0.6401288), wk = 0.0035587 k( 130) = ( 0.0967742 0.0558726 0.6401288), wk = 0.0035587 k( 131) = ( 0.1129032 0.0651847 0.6401288), wk = 0.0035587 k( 132) = ( 0.1290323 0.0744968 0.6401288), wk = 0.0035587 k( 133) = ( 0.1451613 0.0838089 0.6401288), wk = 0.0035587 k( 134) = ( 0.1612903 0.0931210 0.6401288), wk = 0.0035587 k( 135) = ( 0.1774194 0.1024331 0.6401288), wk = 0.0035587 k( 136) = ( 0.1935484 0.1117452 0.6401288), wk = 0.0035587 k( 137) = ( 0.2096774 0.1210573 0.6401288), wk = 0.0035587 k( 138) = ( 0.2258064 0.1303694 0.6401288), wk = 0.0035587 k( 139) = ( 0.2419355 0.1396815 0.6401288), wk = 0.0035587 k( 140) = ( 0.2580645 0.1489936 0.6401288), wk = 0.0035587 k( 141) = ( 0.2741936 0.1583057 0.6401288), wk = 0.0035587 k( 142) = ( 0.2903226 0.1676178 0.6401288), wk = 0.0035587 k( 143) = ( 0.3064516 0.1769299 0.6401288), wk = 0.0035587 k( 144) = ( 0.3225807 0.1862420 0.6401288), wk = 0.0035587 k( 145) = ( 0.3387097 0.1955541 0.6401288), wk = 0.0035587 k( 146) = ( 0.3548387 0.2048662 0.6401288), wk = 0.0035587 k( 147) = ( 0.3709677 0.2141783 0.6401288), wk = 0.0035587 k( 148) = ( 0.3870968 0.2234904 0.6401288), wk = 0.0035587 k( 149) = ( 0.4032258 0.2328025 0.6401288), wk = 0.0035587 k( 150) = ( 0.4193548 0.2421146 0.6401288), wk = 0.0035587 k( 151) = ( 0.4354839 0.2514267 0.6401288), wk = 0.0035587 k( 152) = ( 0.4516129 0.2607388 0.6401288), wk = 0.0035587 k( 153) = ( 0.4677419 0.2700509 0.6401288), wk = 0.0035587 k( 154) = ( 0.4838710 0.2793630 0.6401288), wk = 0.0035587 k( 155) = ( 0.5000000 0.2886751 0.6401288), wk = 0.0035587 k( 156) = ( 0.5000000 0.2886751 0.6401288), wk = 0.0035587 k( 157) = ( 0.4907407 0.3047126 0.6401288), wk = 0.0035587 k( 158) = ( 0.4814815 0.3207502 0.6401288), wk = 0.0035587 k( 159) = ( 0.4722222 0.3367877 0.6401288), wk = 0.0035587 k( 160) = ( 0.4629630 0.3528252 0.6401288), wk = 0.0035587 k( 161) = ( 0.4537037 0.3688627 0.6401288), wk = 0.0035587 k( 162) = ( 0.4444444 0.3849002 0.6401288), wk = 0.0035587 k( 163) = ( 0.4351852 0.4009377 0.6401288), wk = 0.0035587 k( 164) = ( 0.4259259 0.4169752 0.6401288), wk = 0.0035587 k( 165) = ( 0.4166667 0.4330127 0.6401288), wk = 0.0035587 k( 166) = ( 0.4074074 0.4490502 0.6401288), wk = 0.0035587 k( 167) = ( 0.3981481 0.4650877 0.6401288), wk = 0.0035587 k( 168) = ( 0.3888889 0.4811252 0.6401288), wk = 0.0035587 k( 169) = ( 0.3796296 0.4971627 0.6401288), wk = 0.0035587 k( 170) = ( 0.3703704 0.5132002 0.6401288), wk = 0.0035587 k( 171) = ( 0.3611111 0.5292377 0.6401288), wk = 0.0035587 k( 172) = ( 0.3518519 0.5452753 0.6401288), wk = 0.0035587 k( 173) = ( 0.3425926 0.5613128 0.6401288), wk = 0.0035587 k( 174) = ( 0.3333333 0.5773503 0.6401288), wk = 0.0035587 k( 175) = ( 0.3333333 0.5773503 0.6401288), wk = 0.0035587 k( 176) = ( 0.3240741 0.5613128 0.6401288), wk = 0.0035587 k( 177) = ( 0.3148148 0.5452752 0.6401288), wk = 0.0035587 k( 178) = ( 0.3055556 0.5292378 0.6401288), wk = 0.0035587 k( 179) = ( 0.2962963 0.5132002 0.6401288), wk = 0.0035587 k( 180) = ( 0.2870370 0.4971627 0.6401288), wk = 0.0035587 k( 181) = ( 0.2777778 0.4811252 0.6401288), wk = 0.0035587 k( 182) = ( 0.2685185 0.4650877 0.6401288), wk = 0.0035587 k( 183) = ( 0.2592593 0.4490502 0.6401288), wk = 0.0035587 k( 184) = ( 0.2500000 0.4330127 0.6401288), wk = 0.0035587 k( 185) = ( 0.2407407 0.4169752 0.6401288), wk = 0.0035587 k( 186) = ( 0.2314815 0.4009377 0.6401288), wk = 0.0035587 k( 187) = ( 0.2222222 0.3849002 0.6401288), wk = 0.0035587 k( 188) = ( 0.2129630 0.3688627 0.6401288), wk = 0.0035587 k( 189) = ( 0.2037037 0.3528252 0.6401288), wk = 0.0035587 k( 190) = ( 0.1944444 0.3367876 0.6401288), wk = 0.0035587 k( 191) = ( 0.1851852 0.3207502 0.6401288), wk = 0.0035587 k( 192) = ( 0.1759259 0.3047126 0.6401288), wk = 0.0035587 k( 193) = ( 0.1666667 0.2886751 0.6401288), wk = 0.0035587 k( 194) = ( 0.1574074 0.2726376 0.6401288), wk = 0.0035587 k( 195) = ( 0.1481482 0.2566001 0.6401288), wk = 0.0035587 k( 196) = ( 0.1388889 0.2405626 0.6401288), wk = 0.0035587 k( 197) = ( 0.1296296 0.2245251 0.6401288), wk = 0.0035587 k( 198) = ( 0.1203704 0.2084876 0.6401288), wk = 0.0035587 k( 199) = ( 0.1111111 0.1924501 0.6401288), wk = 0.0035587 k( 200) = ( 0.1018518 0.1764126 0.6401288), wk = 0.0035587 k( 201) = ( 0.0925926 0.1603751 0.6401288), wk = 0.0035587 k( 202) = ( 0.0833333 0.1443376 0.6401288), wk = 0.0035587 k( 203) = ( 0.0740741 0.1283001 0.6401288), wk = 0.0035587 k( 204) = ( 0.0648148 0.1122625 0.6401288), wk = 0.0035587 k( 205) = ( 0.0555556 0.0962251 0.6401288), wk = 0.0035587 k( 206) = ( 0.0462963 0.0801875 0.6401288), wk = 0.0035587 k( 207) = ( 0.0370370 0.0641500 0.6401288), wk = 0.0035587 k( 208) = ( 0.0277778 0.0481125 0.6401288), wk = 0.0035587 k( 209) = ( 0.0185185 0.0320750 0.6401288), wk = 0.0035587 k( 210) = ( 0.0092593 0.0160375 0.6401288), wk = 0.0035587 k( 211) = ( 0.0000000 0.0000000 0.6401288), wk = 0.0035587 k( 212) = ( 0.5000000 0.2886751 0.6401288), wk = 0.0035587 k( 213) = ( 0.5000000 0.2886751 0.6213014), wk = 0.0035587 k( 214) = ( 0.5000000 0.2886751 0.6024741), wk = 0.0035587 k( 215) = ( 0.5000000 0.2886751 0.5836468), wk = 0.0035587 k( 216) = ( 0.5000000 0.2886751 0.5648195), wk = 0.0035587 k( 217) = ( 0.5000000 0.2886751 0.5459922), wk = 0.0035587 k( 218) = ( 0.5000000 0.2886751 0.5271649), wk = 0.0035587 k( 219) = ( 0.5000000 0.2886751 0.5083375), wk = 0.0035587 k( 220) = ( 0.5000000 0.2886751 0.4895102), wk = 0.0035587 k( 221) = ( 0.5000000 0.2886751 0.4706829), wk = 0.0035587 k( 222) = ( 0.5000000 0.2886751 0.4518556), wk = 0.0035587 k( 223) = ( 0.5000000 0.2886751 0.4330283), wk = 0.0035587 k( 224) = ( 0.5000000 0.2886751 0.4142010), wk = 0.0035587 k( 225) = ( 0.5000000 0.2886751 0.3953736), wk = 0.0035587 k( 226) = ( 0.5000000 0.2886751 0.3765463), wk = 0.0035587 k( 227) = ( 0.5000000 0.2886751 0.3577190), wk = 0.0035587 k( 228) = ( 0.5000000 0.2886751 0.3388917), wk = 0.0035587 k( 229) = ( 0.5000000 0.2886751 0.3200644), wk = 0.0035587 k( 230) = ( 0.5000000 0.2886751 0.3012371), wk = 0.0035587 k( 231) = ( 0.5000000 0.2886751 0.2824098), wk = 0.0035587 k( 232) = ( 0.5000000 0.2886751 0.2635824), wk = 0.0035587 k( 233) = ( 0.5000000 0.2886751 0.2447551), wk = 0.0035587 k( 234) = ( 0.5000000 0.2886751 0.2259278), wk = 0.0035587 k( 235) = ( 0.5000000 0.2886751 0.2071005), wk = 0.0035587 k( 236) = ( 0.5000000 0.2886751 0.1882732), wk = 0.0035587 k( 237) = ( 0.5000000 0.2886751 0.1694458), wk = 0.0035587 k( 238) = ( 0.5000000 0.2886751 0.1506185), wk = 0.0035587 k( 239) = ( 0.5000000 0.2886751 0.1317912), wk = 0.0035587 k( 240) = ( 0.5000000 0.2886751 0.1129639), wk = 0.0035587 k( 241) = ( 0.5000000 0.2886751 0.0941366), wk = 0.0035587 k( 242) = ( 0.5000000 0.2886751 0.0753093), wk = 0.0035587 k( 243) = ( 0.5000000 0.2886751 0.0564820), wk = 0.0035587 k( 244) = ( 0.5000000 0.2886751 0.0376546), wk = 0.0035587 k( 245) = ( 0.5000000 0.2886751 0.0188273), wk = 0.0035587 k( 246) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0035587 k( 247) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0035587 k( 248) = ( 0.3333333 0.5773503 0.0188273), wk = 0.0035587 k( 249) = ( 0.3333333 0.5773503 0.0376546), wk = 0.0035587 k( 250) = ( 0.3333333 0.5773503 0.0564820), wk = 0.0035587 k( 251) = ( 0.3333333 0.5773503 0.0753093), wk = 0.0035587 k( 252) = ( 0.3333333 0.5773503 0.0941366), wk = 0.0035587 k( 253) = ( 0.3333333 0.5773503 0.1129639), wk = 0.0035587 k( 254) = ( 0.3333333 0.5773503 0.1317912), wk = 0.0035587 k( 255) = ( 0.3333333 0.5773503 0.1506185), wk = 0.0035587 k( 256) = ( 0.3333333 0.5773503 0.1694458), wk = 0.0035587 k( 257) = ( 0.3333333 0.5773503 0.1882732), wk = 0.0035587 k( 258) = ( 0.3333333 0.5773503 0.2071005), wk = 0.0035587 k( 259) = ( 0.3333333 0.5773503 0.2259278), wk = 0.0035587 k( 260) = ( 0.3333333 0.5773503 0.2447551), wk = 0.0035587 k( 261) = ( 0.3333333 0.5773503 0.2635824), wk = 0.0035587 k( 262) = ( 0.3333333 0.5773503 0.2824098), wk = 0.0035587 k( 263) = ( 0.3333333 0.5773503 0.3012371), wk = 0.0035587 k( 264) = ( 0.3333333 0.5773503 0.3200644), wk = 0.0035587 k( 265) = ( 0.3333333 0.5773503 0.3388917), wk = 0.0035587 k( 266) = ( 0.3333333 0.5773503 0.3577190), wk = 0.0035587 k( 267) = ( 0.3333333 0.5773503 0.3765463), wk = 0.0035587 k( 268) = ( 0.3333333 0.5773503 0.3953736), wk = 0.0035587 k( 269) = ( 0.3333333 0.5773503 0.4142010), wk = 0.0035587 k( 270) = ( 0.3333333 0.5773503 0.4330283), wk = 0.0035587 k( 271) = ( 0.3333333 0.5773503 0.4518556), wk = 0.0035587 k( 272) = ( 0.3333333 0.5773503 0.4706829), wk = 0.0035587 k( 273) = ( 0.3333333 0.5773503 0.4895102), wk = 0.0035587 k( 274) = ( 0.3333333 0.5773503 0.5083375), wk = 0.0035587 k( 275) = ( 0.3333333 0.5773503 0.5271649), wk = 0.0035587 k( 276) = ( 0.3333333 0.5773503 0.5459922), wk = 0.0035587 k( 277) = ( 0.3333333 0.5773503 0.5648195), wk = 0.0035587 k( 278) = ( 0.3333333 0.5773503 0.5836468), wk = 0.0035587 k( 279) = ( 0.3333333 0.5773503 0.6024741), wk = 0.0035587 k( 280) = ( 0.3333333 0.5773503 0.6213014), wk = 0.0035587 k( 281) = ( 0.3333333 0.5773503 0.6401288), wk = 0.0035587 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035587 k( 2) = ( 0.0161290 -0.0000000 0.0000000), wk = 0.0035587 k( 3) = ( 0.0322581 -0.0000000 0.0000000), wk = 0.0035587 k( 4) = ( 0.0483871 -0.0000000 0.0000000), wk = 0.0035587 k( 5) = ( 0.0645161 -0.0000000 0.0000000), wk = 0.0035587 k( 6) = ( 0.0806452 0.0000000 0.0000000), wk = 0.0035587 k( 7) = ( 0.0967742 -0.0000000 -0.0000000), wk = 0.0035587 k( 8) = ( 0.1129032 0.0000000 0.0000000), wk = 0.0035587 k( 9) = ( 0.1290323 -0.0000000 0.0000000), wk = 0.0035587 k( 10) = ( 0.1451613 0.0000000 0.0000000), wk = 0.0035587 k( 11) = ( 0.1612903 0.0000000 0.0000000), wk = 0.0035587 k( 12) = ( 0.1774194 -0.0000000 0.0000000), wk = 0.0035587 k( 13) = ( 0.1935484 -0.0000000 0.0000000), wk = 0.0035587 k( 14) = ( 0.2096774 -0.0000000 0.0000000), wk = 0.0035587 k( 15) = ( 0.2258064 -0.0000000 0.0000000), wk = 0.0035587 k( 16) = ( 0.2419355 0.0000000 0.0000000), wk = 0.0035587 k( 17) = ( 0.2580645 -0.0000000 0.0000000), wk = 0.0035587 k( 18) = ( 0.2741936 -0.0000000 0.0000000), wk = 0.0035587 k( 19) = ( 0.2903226 0.0000000 0.0000000), wk = 0.0035587 k( 20) = ( 0.3064516 0.0000000 0.0000000), wk = 0.0035587 k( 21) = ( 0.3225807 0.0000000 0.0000000), wk = 0.0035587 k( 22) = ( 0.3387097 -0.0000000 0.0000000), wk = 0.0035587 k( 23) = ( 0.3548387 0.0000000 0.0000000), wk = 0.0035587 k( 24) = ( 0.3709677 0.0000000 0.0000000), wk = 0.0035587 k( 25) = ( 0.3870968 0.0000000 0.0000000), wk = 0.0035587 k( 26) = ( 0.4032258 0.0000000 0.0000000), wk = 0.0035587 k( 27) = ( 0.4193548 -0.0000000 0.0000000), wk = 0.0035587 k( 28) = ( 0.4354839 -0.0000000 0.0000000), wk = 0.0035587 k( 29) = ( 0.4516129 -0.0000000 0.0000000), wk = 0.0035587 k( 30) = ( 0.4677419 0.0000000 0.0000000), wk = 0.0035587 k( 31) = ( 0.4838710 0.0000000 0.0000000), wk = 0.0035587 k( 32) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0035587 k( 33) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0035587 k( 34) = ( 0.4907407 0.0185185 0.0000000), wk = 0.0035587 k( 35) = ( 0.4814815 0.0370370 0.0000000), wk = 0.0035587 k( 36) = ( 0.4722222 0.0555556 0.0000000), wk = 0.0035587 k( 37) = ( 0.4629630 0.0740741 -0.0000000), wk = 0.0035587 k( 38) = ( 0.4537037 0.0925926 0.0000000), wk = 0.0035587 k( 39) = ( 0.4444444 0.1111111 0.0000000), wk = 0.0035587 k( 40) = ( 0.4351852 0.1296296 -0.0000000), wk = 0.0035587 k( 41) = ( 0.4259259 0.1481482 0.0000000), wk = 0.0035587 k( 42) = ( 0.4166667 0.1666667 -0.0000000), wk = 0.0035587 k( 43) = ( 0.4074074 0.1851852 0.0000000), wk = 0.0035587 k( 44) = ( 0.3981481 0.2037037 0.0000000), wk = 0.0035587 k( 45) = ( 0.3888889 0.2222222 -0.0000000), wk = 0.0035587 k( 46) = ( 0.3796296 0.2407407 0.0000000), wk = 0.0035587 k( 47) = ( 0.3703704 0.2592593 -0.0000000), wk = 0.0035587 k( 48) = ( 0.3611111 0.2777778 0.0000000), wk = 0.0035587 k( 49) = ( 0.3518519 0.2962963 0.0000000), wk = 0.0035587 k( 50) = ( 0.3425926 0.3148148 0.0000000), wk = 0.0035587 k( 51) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0035587 k( 52) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0035587 k( 53) = ( 0.3240741 0.3240741 -0.0000000), wk = 0.0035587 k( 54) = ( 0.3148148 0.3148148 0.0000000), wk = 0.0035587 k( 55) = ( 0.3055556 0.3055556 0.0000000), wk = 0.0035587 k( 56) = ( 0.2962963 0.2962963 0.0000000), wk = 0.0035587 k( 57) = ( 0.2870370 0.2870370 0.0000000), wk = 0.0035587 k( 58) = ( 0.2777778 0.2777778 -0.0000000), wk = 0.0035587 k( 59) = ( 0.2685185 0.2685185 0.0000000), wk = 0.0035587 k( 60) = ( 0.2592593 0.2592593 -0.0000000), wk = 0.0035587 k( 61) = ( 0.2500000 0.2500000 -0.0000000), wk = 0.0035587 k( 62) = ( 0.2407407 0.2407407 0.0000000), wk = 0.0035587 k( 63) = ( 0.2314815 0.2314815 0.0000000), wk = 0.0035587 k( 64) = ( 0.2222222 0.2222222 0.0000000), wk = 0.0035587 k( 65) = ( 0.2129630 0.2129630 0.0000000), wk = 0.0035587 k( 66) = ( 0.2037037 0.2037037 -0.0000000), wk = 0.0035587 k( 67) = ( 0.1944444 0.1944444 0.0000000), wk = 0.0035587 k( 68) = ( 0.1851852 0.1851852 -0.0000000), wk = 0.0035587 k( 69) = ( 0.1759259 0.1759259 0.0000000), wk = 0.0035587 k( 70) = ( 0.1666667 0.1666667 0.0000000), wk = 0.0035587 k( 71) = ( 0.1574074 0.1574074 -0.0000000), wk = 0.0035587 k( 72) = ( 0.1481482 0.1481482 0.0000000), wk = 0.0035587 k( 73) = ( 0.1388889 0.1388889 -0.0000000), wk = 0.0035587 k( 74) = ( 0.1296296 0.1296296 -0.0000000), wk = 0.0035587 k( 75) = ( 0.1203704 0.1203704 0.0000000), wk = 0.0035587 k( 76) = ( 0.1111111 0.1111111 0.0000000), wk = 0.0035587 k( 77) = ( 0.1018518 0.1018518 -0.0000000), wk = 0.0035587 k( 78) = ( 0.0925926 0.0925926 0.0000000), wk = 0.0035587 k( 79) = ( 0.0833333 0.0833333 -0.0000000), wk = 0.0035587 k( 80) = ( 0.0740741 0.0740741 0.0000000), wk = 0.0035587 k( 81) = ( 0.0648148 0.0648148 -0.0000000), wk = 0.0035587 k( 82) = ( 0.0555556 0.0555556 0.0000000), wk = 0.0035587 k( 83) = ( 0.0462963 0.0462963 0.0000000), wk = 0.0035587 k( 84) = ( 0.0370370 0.0370370 0.0000000), wk = 0.0035587 k( 85) = ( 0.0277778 0.0277778 0.0000000), wk = 0.0035587 k( 86) = ( 0.0185185 0.0185185 0.0000000), wk = 0.0035587 k( 87) = ( 0.0092593 0.0092593 0.0000000), wk = 0.0035587 k( 88) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035587 k( 89) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035587 k( 90) = ( 0.0000000 0.0000000 0.0147059), wk = 0.0035587 k( 91) = ( 0.0000000 0.0000000 0.0294118), wk = 0.0035587 k( 92) = ( 0.0000000 0.0000000 0.0441177), wk = 0.0035587 k( 93) = ( 0.0000000 0.0000000 0.0588235), wk = 0.0035587 k( 94) = ( 0.0000000 0.0000000 0.0735294), wk = 0.0035587 k( 95) = ( 0.0000000 0.0000000 0.0882353), wk = 0.0035587 k( 96) = ( 0.0000000 0.0000000 0.1029412), wk = 0.0035587 k( 97) = ( 0.0000000 0.0000000 0.1176471), wk = 0.0035587 k( 98) = ( 0.0000000 0.0000000 0.1323529), wk = 0.0035587 k( 99) = ( 0.0000000 0.0000000 0.1470588), wk = 0.0035587 k( 100) = ( 0.0000000 0.0000000 0.1617647), wk = 0.0035587 k( 101) = ( 0.0000000 0.0000000 0.1764706), wk = 0.0035587 k( 102) = ( 0.0000000 0.0000000 0.1911765), wk = 0.0035587 k( 103) = ( 0.0000000 0.0000000 0.2058823), wk = 0.0035587 k( 104) = ( 0.0000000 0.0000000 0.2205882), wk = 0.0035587 k( 105) = ( 0.0000000 0.0000000 0.2352941), wk = 0.0035587 k( 106) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0035587 k( 107) = ( 0.0000000 0.0000000 0.2647059), wk = 0.0035587 k( 108) = ( 0.0000000 0.0000000 0.2794118), wk = 0.0035587 k( 109) = ( 0.0000000 0.0000000 0.2941177), wk = 0.0035587 k( 110) = ( 0.0000000 0.0000000 0.3088235), wk = 0.0035587 k( 111) = ( 0.0000000 0.0000000 0.3235294), wk = 0.0035587 k( 112) = ( 0.0000000 0.0000000 0.3382353), wk = 0.0035587 k( 113) = ( 0.0000000 0.0000000 0.3529412), wk = 0.0035587 k( 114) = ( 0.0000000 0.0000000 0.3676471), wk = 0.0035587 k( 115) = ( 0.0000000 0.0000000 0.3823529), wk = 0.0035587 k( 116) = ( 0.0000000 0.0000000 0.3970588), wk = 0.0035587 k( 117) = ( 0.0000000 0.0000000 0.4117647), wk = 0.0035587 k( 118) = ( 0.0000000 0.0000000 0.4264706), wk = 0.0035587 k( 119) = ( 0.0000000 0.0000000 0.4411765), wk = 0.0035587 k( 120) = ( 0.0000000 0.0000000 0.4558824), wk = 0.0035587 k( 121) = ( 0.0000000 0.0000000 0.4705882), wk = 0.0035587 k( 122) = ( 0.0000000 0.0000000 0.4852941), wk = 0.0035587 k( 123) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0035587 k( 124) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0035587 k( 125) = ( 0.0161290 -0.0000000 0.5000000), wk = 0.0035587 k( 126) = ( 0.0322581 -0.0000000 0.5000000), wk = 0.0035587 k( 127) = ( 0.0483871 -0.0000000 0.5000000), wk = 0.0035587 k( 128) = ( 0.0645161 -0.0000000 0.5000000), wk = 0.0035587 k( 129) = ( 0.0806452 0.0000000 0.5000000), wk = 0.0035587 k( 130) = ( 0.0967742 -0.0000000 0.5000000), wk = 0.0035587 k( 131) = ( 0.1129032 0.0000000 0.5000000), wk = 0.0035587 k( 132) = ( 0.1290323 -0.0000000 0.5000000), wk = 0.0035587 k( 133) = ( 0.1451613 0.0000000 0.5000000), wk = 0.0035587 k( 134) = ( 0.1612903 0.0000000 0.5000000), wk = 0.0035587 k( 135) = ( 0.1774194 -0.0000000 0.5000000), wk = 0.0035587 k( 136) = ( 0.1935484 -0.0000000 0.5000000), wk = 0.0035587 k( 137) = ( 0.2096774 -0.0000000 0.5000000), wk = 0.0035587 k( 138) = ( 0.2258064 -0.0000000 0.5000000), wk = 0.0035587 k( 139) = ( 0.2419355 0.0000000 0.5000000), wk = 0.0035587 k( 140) = ( 0.2580645 -0.0000000 0.5000000), wk = 0.0035587 k( 141) = ( 0.2741936 -0.0000000 0.5000000), wk = 0.0035587 k( 142) = ( 0.2903226 0.0000000 0.5000000), wk = 0.0035587 k( 143) = ( 0.3064516 0.0000000 0.5000000), wk = 0.0035587 k( 144) = ( 0.3225807 0.0000000 0.5000000), wk = 0.0035587 k( 145) = ( 0.3387097 -0.0000000 0.5000000), wk = 0.0035587 k( 146) = ( 0.3548387 0.0000000 0.5000000), wk = 0.0035587 k( 147) = ( 0.3709677 0.0000000 0.5000000), wk = 0.0035587 k( 148) = ( 0.3870968 0.0000000 0.5000000), wk = 0.0035587 k( 149) = ( 0.4032258 0.0000000 0.5000000), wk = 0.0035587 k( 150) = ( 0.4193548 -0.0000000 0.5000000), wk = 0.0035587 k( 151) = ( 0.4354839 -0.0000000 0.5000000), wk = 0.0035587 k( 152) = ( 0.4516129 -0.0000000 0.5000000), wk = 0.0035587 k( 153) = ( 0.4677419 0.0000000 0.5000000), wk = 0.0035587 k( 154) = ( 0.4838710 0.0000000 0.5000000), wk = 0.0035587 k( 155) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0035587 k( 156) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0035587 k( 157) = ( 0.4907407 0.0185185 0.5000000), wk = 0.0035587 k( 158) = ( 0.4814815 0.0370370 0.5000000), wk = 0.0035587 k( 159) = ( 0.4722222 0.0555556 0.5000000), wk = 0.0035587 k( 160) = ( 0.4629630 0.0740741 0.5000000), wk = 0.0035587 k( 161) = ( 0.4537037 0.0925926 0.5000000), wk = 0.0035587 k( 162) = ( 0.4444444 0.1111111 0.5000000), wk = 0.0035587 k( 163) = ( 0.4351852 0.1296296 0.5000000), wk = 0.0035587 k( 164) = ( 0.4259259 0.1481482 0.5000000), wk = 0.0035587 k( 165) = ( 0.4166667 0.1666667 0.5000000), wk = 0.0035587 k( 166) = ( 0.4074074 0.1851852 0.5000000), wk = 0.0035587 k( 167) = ( 0.3981481 0.2037037 0.5000000), wk = 0.0035587 k( 168) = ( 0.3888889 0.2222222 0.5000000), wk = 0.0035587 k( 169) = ( 0.3796296 0.2407407 0.5000000), wk = 0.0035587 k( 170) = ( 0.3703704 0.2592593 0.5000000), wk = 0.0035587 k( 171) = ( 0.3611111 0.2777778 0.5000000), wk = 0.0035587 k( 172) = ( 0.3518519 0.2962963 0.5000000), wk = 0.0035587 k( 173) = ( 0.3425926 0.3148148 0.5000000), wk = 0.0035587 k( 174) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0035587 k( 175) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0035587 k( 176) = ( 0.3240741 0.3240741 0.5000000), wk = 0.0035587 k( 177) = ( 0.3148148 0.3148148 0.5000000), wk = 0.0035587 k( 178) = ( 0.3055556 0.3055556 0.5000000), wk = 0.0035587 k( 179) = ( 0.2962963 0.2962963 0.5000000), wk = 0.0035587 k( 180) = ( 0.2870370 0.2870370 0.5000000), wk = 0.0035587 k( 181) = ( 0.2777778 0.2777778 0.5000000), wk = 0.0035587 k( 182) = ( 0.2685185 0.2685185 0.5000000), wk = 0.0035587 k( 183) = ( 0.2592593 0.2592593 0.5000000), wk = 0.0035587 k( 184) = ( 0.2500000 0.2500000 0.5000000), wk = 0.0035587 k( 185) = ( 0.2407407 0.2407407 0.5000000), wk = 0.0035587 k( 186) = ( 0.2314815 0.2314815 0.5000000), wk = 0.0035587 k( 187) = ( 0.2222222 0.2222222 0.5000000), wk = 0.0035587 k( 188) = ( 0.2129630 0.2129630 0.5000000), wk = 0.0035587 k( 189) = ( 0.2037037 0.2037037 0.5000000), wk = 0.0035587 k( 190) = ( 0.1944444 0.1944444 0.5000000), wk = 0.0035587 k( 191) = ( 0.1851852 0.1851852 0.5000000), wk = 0.0035587 k( 192) = ( 0.1759259 0.1759259 0.5000000), wk = 0.0035587 k( 193) = ( 0.1666667 0.1666667 0.5000000), wk = 0.0035587 k( 194) = ( 0.1574074 0.1574074 0.5000000), wk = 0.0035587 k( 195) = ( 0.1481482 0.1481482 0.5000000), wk = 0.0035587 k( 196) = ( 0.1388889 0.1388889 0.5000000), wk = 0.0035587 k( 197) = ( 0.1296296 0.1296296 0.5000000), wk = 0.0035587 k( 198) = ( 0.1203704 0.1203704 0.5000000), wk = 0.0035587 k( 199) = ( 0.1111111 0.1111111 0.5000000), wk = 0.0035587 k( 200) = ( 0.1018518 0.1018518 0.5000000), wk = 0.0035587 k( 201) = ( 0.0925926 0.0925926 0.5000000), wk = 0.0035587 k( 202) = ( 0.0833333 0.0833333 0.5000000), wk = 0.0035587 k( 203) = ( 0.0740741 0.0740741 0.5000000), wk = 0.0035587 k( 204) = ( 0.0648148 0.0648148 0.5000000), wk = 0.0035587 k( 205) = ( 0.0555556 0.0555556 0.5000000), wk = 0.0035587 k( 206) = ( 0.0462963 0.0462963 0.5000000), wk = 0.0035587 k( 207) = ( 0.0370370 0.0370370 0.5000000), wk = 0.0035587 k( 208) = ( 0.0277778 0.0277778 0.5000000), wk = 0.0035587 k( 209) = ( 0.0185185 0.0185185 0.5000000), wk = 0.0035587 k( 210) = ( 0.0092593 0.0092593 0.5000000), wk = 0.0035587 k( 211) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0035587 k( 212) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0035587 k( 213) = ( 0.5000000 0.0000000 0.4852941), wk = 0.0035587 k( 214) = ( 0.5000000 0.0000000 0.4705882), wk = 0.0035587 k( 215) = ( 0.5000000 0.0000000 0.4558823), wk = 0.0035587 k( 216) = ( 0.5000000 0.0000000 0.4411765), wk = 0.0035587 k( 217) = ( 0.5000000 0.0000000 0.4264706), wk = 0.0035587 k( 218) = ( 0.5000000 0.0000000 0.4117647), wk = 0.0035587 k( 219) = ( 0.5000000 0.0000000 0.3970588), wk = 0.0035587 k( 220) = ( 0.5000000 0.0000000 0.3823529), wk = 0.0035587 k( 221) = ( 0.5000000 0.0000000 0.3676471), wk = 0.0035587 k( 222) = ( 0.5000000 0.0000000 0.3529412), wk = 0.0035587 k( 223) = ( 0.5000000 0.0000000 0.3382353), wk = 0.0035587 k( 224) = ( 0.5000000 0.0000000 0.3235294), wk = 0.0035587 k( 225) = ( 0.5000000 0.0000000 0.3088235), wk = 0.0035587 k( 226) = ( 0.5000000 0.0000000 0.2941177), wk = 0.0035587 k( 227) = ( 0.5000000 0.0000000 0.2794118), wk = 0.0035587 k( 228) = ( 0.5000000 0.0000000 0.2647059), wk = 0.0035587 k( 229) = ( 0.5000000 0.0000000 0.2500000), wk = 0.0035587 k( 230) = ( 0.5000000 0.0000000 0.2352941), wk = 0.0035587 k( 231) = ( 0.5000000 0.0000000 0.2205882), wk = 0.0035587 k( 232) = ( 0.5000000 0.0000000 0.2058823), wk = 0.0035587 k( 233) = ( 0.5000000 0.0000000 0.1911765), wk = 0.0035587 k( 234) = ( 0.5000000 0.0000000 0.1764706), wk = 0.0035587 k( 235) = ( 0.5000000 0.0000000 0.1617647), wk = 0.0035587 k( 236) = ( 0.5000000 0.0000000 0.1470588), wk = 0.0035587 k( 237) = ( 0.5000000 0.0000000 0.1323529), wk = 0.0035587 k( 238) = ( 0.5000000 0.0000000 0.1176471), wk = 0.0035587 k( 239) = ( 0.5000000 0.0000000 0.1029412), wk = 0.0035587 k( 240) = ( 0.5000000 0.0000000 0.0882353), wk = 0.0035587 k( 241) = ( 0.5000000 0.0000000 0.0735294), wk = 0.0035587 k( 242) = ( 0.5000000 0.0000000 0.0588235), wk = 0.0035587 k( 243) = ( 0.5000000 0.0000000 0.0441177), wk = 0.0035587 k( 244) = ( 0.5000000 0.0000000 0.0294118), wk = 0.0035587 k( 245) = ( 0.5000000 0.0000000 0.0147059), wk = 0.0035587 k( 246) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0035587 k( 247) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0035587 k( 248) = ( 0.3333333 0.3333333 0.0147059), wk = 0.0035587 k( 249) = ( 0.3333333 0.3333333 0.0294118), wk = 0.0035587 k( 250) = ( 0.3333333 0.3333333 0.0441177), wk = 0.0035587 k( 251) = ( 0.3333333 0.3333333 0.0588235), wk = 0.0035587 k( 252) = ( 0.3333333 0.3333333 0.0735294), wk = 0.0035587 k( 253) = ( 0.3333333 0.3333333 0.0882353), wk = 0.0035587 k( 254) = ( 0.3333333 0.3333333 0.1029412), wk = 0.0035587 k( 255) = ( 0.3333333 0.3333333 0.1176471), wk = 0.0035587 k( 256) = ( 0.3333333 0.3333333 0.1323529), wk = 0.0035587 k( 257) = ( 0.3333333 0.3333333 0.1470588), wk = 0.0035587 k( 258) = ( 0.3333333 0.3333333 0.1617647), wk = 0.0035587 k( 259) = ( 0.3333333 0.3333333 0.1764706), wk = 0.0035587 k( 260) = ( 0.3333333 0.3333333 0.1911765), wk = 0.0035587 k( 261) = ( 0.3333333 0.3333333 0.2058823), wk = 0.0035587 k( 262) = ( 0.3333333 0.3333333 0.2205882), wk = 0.0035587 k( 263) = ( 0.3333333 0.3333333 0.2352941), wk = 0.0035587 k( 264) = ( 0.3333333 0.3333333 0.2500000), wk = 0.0035587 k( 265) = ( 0.3333333 0.3333333 0.2647059), wk = 0.0035587 k( 266) = ( 0.3333333 0.3333333 0.2794118), wk = 0.0035587 k( 267) = ( 0.3333333 0.3333333 0.2941177), wk = 0.0035587 k( 268) = ( 0.3333333 0.3333333 0.3088235), wk = 0.0035587 k( 269) = ( 0.3333333 0.3333333 0.3235294), wk = 0.0035587 k( 270) = ( 0.3333333 0.3333333 0.3382353), wk = 0.0035587 k( 271) = ( 0.3333333 0.3333333 0.3529412), wk = 0.0035587 k( 272) = ( 0.3333333 0.3333333 0.3676471), wk = 0.0035587 k( 273) = ( 0.3333333 0.3333333 0.3823529), wk = 0.0035587 k( 274) = ( 0.3333333 0.3333333 0.3970588), wk = 0.0035587 k( 275) = ( 0.3333333 0.3333333 0.4117647), wk = 0.0035587 k( 276) = ( 0.3333333 0.3333333 0.4264706), wk = 0.0035587 k( 277) = ( 0.3333333 0.3333333 0.4411765), wk = 0.0035587 k( 278) = ( 0.3333333 0.3333333 0.4558823), wk = 0.0035587 k( 279) = ( 0.3333333 0.3333333 0.4705882), wk = 0.0035587 k( 280) = ( 0.3333333 0.3333333 0.4852941), wk = 0.0035587 k( 281) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0035587 Dense grid: 93669 G-vectors FFT dimensions: ( 72, 72, 54) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.70 Mb ( 656, 70) NL pseudopotentials 0.82 Mb ( 328, 164) Each V/rho on FFT grid 0.16 Mb ( 10368) Each G-vector array 0.02 Mb ( 2602) G-vector shells 0.01 Mb ( 1173) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 2.80 Mb ( 656, 280) Each subspace H/S matrix 0.07 Mb ( 70, 70) Each matrix 0.35 Mb ( 164, 2, 70) The potential is recalculated from file : ./Zr3Co.save/charge-density.dat Starting wfc are 148 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.8 secs Computing kpt #: 2 total cpu time spent up to now is 5.8 secs Computing kpt #: 3 total cpu time spent up to now is 8.3 secs Computing kpt #: 4 total cpu time spent up to now is 10.8 secs Computing kpt #: 5 total cpu time spent up to now is 13.2 secs Computing kpt #: 6 total cpu time spent up to now is 15.5 secs Computing kpt #: 7 total cpu time spent up to now is 18.0 secs Computing kpt #: 8 total cpu time spent up to now is 20.4 secs Computing kpt #: 9 total cpu time spent up to now is 22.9 secs Computing kpt #: 10 total cpu time spent up to now is 25.2 secs Computing kpt #: 11 total cpu time spent up to now is 27.8 secs Computing kpt #: 12 total cpu time spent up to now is 30.2 secs Computing kpt #: 13 total cpu time spent up to now is 32.6 secs Computing kpt #: 14 total cpu time spent up to now is 34.9 secs Computing kpt #: 15 total cpu time spent up to now is 37.3 secs Computing kpt #: 16 total cpu time spent up to now is 39.7 secs Computing kpt #: 17 total cpu time spent up to now is 42.3 secs Computing kpt #: 18 total cpu time spent up to now is 44.8 secs Computing kpt #: 19 total cpu time spent up to now is 47.7 secs Computing kpt #: 20 total cpu time spent up to now is 50.1 secs Computing kpt #: 21 total cpu time spent up to now is 53.0 secs Computing kpt #: 22 total cpu time spent up to now is 56.1 secs Computing kpt #: 23 total cpu time spent up to now is 59.2 secs Computing kpt #: 24 total cpu time spent up to now is 61.8 secs Computing kpt #: 25 total cpu time spent up to now is 64.9 secs Computing kpt #: 26 total cpu time spent up to now is 68.1 secs Computing kpt #: 27 total cpu time spent up to now is 71.6 secs Computing kpt #: 28 total cpu time spent up to now is 75.2 secs Computing kpt #: 29 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 78.9 secs Computing kpt #: 30 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 82.6 secs Computing kpt #: 31 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 86.4 secs Computing kpt #: 32 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 90.2 secs Computing kpt #: 33 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 93.9 secs Computing kpt #: 34 total cpu time spent up to now is 97.0 secs Computing kpt #: 35 total cpu time spent up to now is 99.2 secs Computing kpt #: 36 total cpu time spent up to now is 101.5 secs Computing kpt #: 37 total cpu time spent up to now is 103.9 secs Computing kpt #: 38 total cpu time spent up to now is 105.8 secs Computing kpt #: 39 total cpu time spent up to now is 107.8 secs Computing kpt #: 40 total cpu time spent up to now is 109.7 secs Computing kpt #: 41 total cpu time spent up to now is 111.6 secs Computing kpt #: 42 total cpu time spent up to now is 113.4 secs Computing kpt #: 43 total cpu time spent up to now is 115.2 secs Computing kpt #: 44 total cpu time spent up to now is 117.0 secs Computing kpt #: 45 total cpu time spent up to now is 118.5 secs Computing kpt #: 46 total cpu time spent up to now is 120.3 secs Computing kpt #: 47 total cpu time spent up to now is 122.1 secs Computing kpt #: 48 total cpu time spent up to now is 124.0 secs Computing kpt #: 49 total cpu time spent up to now is 125.9 secs Computing kpt #: 50 total cpu time spent up to now is 127.4 secs Computing kpt #: 51 total cpu time spent up to now is 128.9 secs Computing kpt #: 52 total cpu time spent up to now is 130.4 secs Computing kpt #: 53 total cpu time spent up to now is 132.2 secs Computing kpt #: 54 total cpu time spent up to now is 134.1 secs Computing kpt #: 55 total cpu time spent up to now is 136.0 secs Computing kpt #: 56 total cpu time spent up to now is 137.9 secs Computing kpt #: 57 total cpu time spent up to now is 139.8 secs Computing kpt #: 58 total cpu time spent up to now is 141.6 secs Computing kpt #: 59 total cpu time spent up to now is 143.5 secs Computing kpt #: 60 total cpu time spent up to now is 145.4 secs Computing kpt #: 61 total cpu time spent up to now is 147.2 secs Computing kpt #: 62 total cpu time spent up to now is 149.0 secs Computing kpt #: 63 total cpu time spent up to now is 150.9 secs Computing kpt #: 64 total cpu time spent up to now is 152.8 secs Computing kpt #: 65 total cpu time spent up to now is 154.8 secs Computing kpt #: 66 total cpu time spent up to now is 156.6 secs Computing kpt #: 67 total cpu time spent up to now is 158.4 secs Computing kpt #: 68 total cpu time spent up to now is 160.4 secs Computing kpt #: 69 total cpu time spent up to now is 162.4 secs Computing kpt #: 70 total cpu time spent up to now is 164.4 secs Computing kpt #: 71 total cpu time spent up to now is 166.3 secs Computing kpt #: 72 total cpu time spent up to now is 168.5 secs Computing kpt #: 73 total cpu time spent up to now is 170.5 secs Computing kpt #: 74 total cpu time spent up to now is 172.8 secs Computing kpt #: 75 total cpu time spent up to now is 175.0 secs Computing kpt #: 76 total cpu time spent up to now is 177.3 secs Computing kpt #: 77 total cpu time spent up to now is 179.7 secs Computing kpt #: 78 total cpu time spent up to now is 182.0 secs Computing kpt #: 79 total cpu time spent up to now is 184.4 secs Computing kpt #: 80 total cpu time spent up to now is 186.7 secs Computing kpt #: 81 total cpu time spent up to now is 189.0 secs Computing kpt #: 82 total cpu time spent up to now is 191.4 secs Computing kpt #: 83 total cpu time spent up to now is 193.8 secs Computing kpt #: 84 total cpu time spent up to now is 196.1 secs Computing kpt #: 85 total cpu time spent up to now is 198.6 secs Computing kpt #: 86 total cpu time spent up to now is 201.2 secs Computing kpt #: 87 total cpu time spent up to now is 203.9 secs Computing kpt #: 88 total cpu time spent up to now is 205.9 secs Computing kpt #: 89 total cpu time spent up to now is 207.8 secs Computing kpt #: 90 total cpu time spent up to now is 209.8 secs Computing kpt #: 91 total cpu time spent up to now is 211.8 secs Computing kpt #: 92 total cpu time spent up to now is 213.8 secs Computing kpt #: 93 total cpu time spent up to now is 215.5 secs Computing kpt #: 94 total cpu time spent up to now is 217.0 secs Computing kpt #: 95 total cpu time spent up to now is 218.5 secs Computing kpt #: 96 total cpu time spent up to now is 220.1 secs Computing kpt #: 97 total cpu time spent up to now is 221.9 secs Computing kpt #: 98 total cpu time spent up to now is 224.1 secs Computing kpt #: 99 total cpu time spent up to now is 226.4 secs Computing kpt #: 100 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 230.2 secs Computing kpt #: 101 total cpu time spent up to now is 232.9 secs Computing kpt #: 102 total cpu time spent up to now is 236.2 secs Computing kpt #: 103 total cpu time spent up to now is 238.9 secs Computing kpt #: 104 total cpu time spent up to now is 241.7 secs Computing kpt #: 105 total cpu time spent up to now is 244.4 secs Computing kpt #: 106 total cpu time spent up to now is 247.5 secs Computing kpt #: 107 total cpu time spent up to now is 250.6 secs Computing kpt #: 108 total cpu time spent up to now is 253.3 secs Computing kpt #: 109 total cpu time spent up to now is 256.0 secs Computing kpt #: 110 total cpu time spent up to now is 258.4 secs Computing kpt #: 111 total cpu time spent up to now is 261.2 secs Computing kpt #: 112 total cpu time spent up to now is 264.0 secs Computing kpt #: 113 total cpu time spent up to now is 266.7 secs Computing kpt #: 114 total cpu time spent up to now is 269.0 secs Computing kpt #: 115 total cpu time spent up to now is 271.3 secs Computing kpt #: 116 total cpu time spent up to now is 273.7 secs Computing kpt #: 117 total cpu time spent up to now is 276.1 secs Computing kpt #: 118 total cpu time spent up to now is 278.9 secs Computing kpt #: 119 total cpu time spent up to now is 281.9 secs Computing kpt #: 120 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 285.7 secs Computing kpt #: 121 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 289.4 secs Computing kpt #: 122 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 293.2 secs Computing kpt #: 123 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 297.0 secs Computing kpt #: 124 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 300.7 secs Computing kpt #: 125 total cpu time spent up to now is 304.4 secs Computing kpt #: 126 total cpu time spent up to now is 308.0 secs Computing kpt #: 127 total cpu time spent up to now is 311.2 secs Computing kpt #: 128 total cpu time spent up to now is 314.0 secs Computing kpt #: 129 total cpu time spent up to now is 316.5 secs Computing kpt #: 130 total cpu time spent up to now is 318.8 secs Computing kpt #: 131 total cpu time spent up to now is 321.0 secs Computing kpt #: 132 total cpu time spent up to now is 323.1 secs Computing kpt #: 133 total cpu time spent up to now is 325.2 secs Computing kpt #: 134 total cpu time spent up to now is 327.3 secs Computing kpt #: 135 total cpu time spent up to now is 329.5 secs Computing kpt #: 136 total cpu time spent up to now is 331.6 secs Computing kpt #: 137 total cpu time spent up to now is 333.8 secs Computing kpt #: 138 total cpu time spent up to now is 335.9 secs Computing kpt #: 139 total cpu time spent up to now is 337.9 secs Computing kpt #: 140 total cpu time spent up to now is 340.1 secs Computing kpt #: 141 total cpu time spent up to now is 342.2 secs Computing kpt #: 142 total cpu time spent up to now is 344.4 secs Computing kpt #: 143 total cpu time spent up to now is 346.7 secs Computing kpt #: 144 total cpu time spent up to now is 348.9 secs Computing kpt #: 145 total cpu time spent up to now is 351.1 secs Computing kpt #: 146 total cpu time spent up to now is 353.3 secs Computing kpt #: 147 total cpu time spent up to now is 355.4 secs Computing kpt #: 148 total cpu time spent up to now is 357.4 secs Computing kpt #: 149 total cpu time spent up to now is 359.5 secs Computing kpt #: 150 total cpu time spent up to now is 361.5 secs Computing kpt #: 151 total cpu time spent up to now is 363.6 secs Computing kpt #: 152 total cpu time spent up to now is 365.7 secs Computing kpt #: 153 total cpu time spent up to now is 368.0 secs Computing kpt #: 154 total cpu time spent up to now is 370.3 secs Computing kpt #: 155 total cpu time spent up to now is 372.6 secs Computing kpt #: 156 total cpu time spent up to now is 375.0 secs Computing kpt #: 157 total cpu time spent up to now is 377.4 secs Computing kpt #: 158 total cpu time spent up to now is 380.1 secs Computing kpt #: 159 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 383.9 secs Computing kpt #: 160 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 387.7 secs Computing kpt #: 161 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 391.5 secs Computing kpt #: 162 total cpu time spent up to now is 395.1 secs Computing kpt #: 163 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 398.9 secs Computing kpt #: 164 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 403.0 secs Computing kpt #: 165 total cpu time spent up to now is 406.7 secs Computing kpt #: 166 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 410.5 secs Computing kpt #: 167 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 414.2 secs Computing kpt #: 168 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 418.0 secs Computing kpt #: 169 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 421.7 secs Computing kpt #: 170 total cpu time spent up to now is 425.3 secs Computing kpt #: 171 total cpu time spent up to now is 428.6 secs Computing kpt #: 172 total cpu time spent up to now is 431.2 secs Computing kpt #: 173 total cpu time spent up to now is 434.4 secs Computing kpt #: 174 total cpu time spent up to now is 437.1 secs Computing kpt #: 175 total cpu time spent up to now is 439.7 secs Computing kpt #: 176 total cpu time spent up to now is 442.4 secs Computing kpt #: 177 total cpu time spent up to now is 445.7 secs Computing kpt #: 178 total cpu time spent up to now is 448.9 secs Computing kpt #: 179 total cpu time spent up to now is 452.6 secs Computing kpt #: 180 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 456.3 secs Computing kpt #: 181 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 460.1 secs Computing kpt #: 182 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 463.9 secs Computing kpt #: 183 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 467.6 secs Computing kpt #: 184 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 471.3 secs Computing kpt #: 185 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 475.1 secs Computing kpt #: 186 total cpu time spent up to now is 478.0 secs Computing kpt #: 187 total cpu time spent up to now is 481.1 secs Computing kpt #: 188 total cpu time spent up to now is 483.8 secs Computing kpt #: 189 total cpu time spent up to now is 486.3 secs Computing kpt #: 190 total cpu time spent up to now is 488.9 secs Computing kpt #: 191 total cpu time spent up to now is 491.5 secs Computing kpt #: 192 total cpu time spent up to now is 494.1 secs Computing kpt #: 193 total cpu time spent up to now is 496.9 secs Computing kpt #: 194 total cpu time spent up to now is 499.6 secs Computing kpt #: 195 total cpu time spent up to now is 502.2 secs Computing kpt #: 196 total cpu time spent up to now is 504.8 secs Computing kpt #: 197 total cpu time spent up to now is 507.3 secs Computing kpt #: 198 total cpu time spent up to now is 509.9 secs Computing kpt #: 199 total cpu time spent up to now is 512.4 secs Computing kpt #: 200 total cpu time spent up to now is 514.9 secs Computing kpt #: 201 total cpu time spent up to now is 517.4 secs Computing kpt #: 202 total cpu time spent up to now is 520.0 secs Computing kpt #: 203 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 523.8 secs Computing kpt #: 204 total cpu time spent up to now is 527.4 secs Computing kpt #: 205 total cpu time spent up to now is 529.7 secs Computing kpt #: 206 total cpu time spent up to now is 532.5 secs Computing kpt #: 207 total cpu time spent up to now is 535.2 secs Computing kpt #: 208 total cpu time spent up to now is 538.4 secs Computing kpt #: 209 total cpu time spent up to now is 541.9 secs Computing kpt #: 210 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 545.7 secs Computing kpt #: 211 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 549.5 secs Computing kpt #: 212 total cpu time spent up to now is 551.8 secs Computing kpt #: 213 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 555.6 secs Computing kpt #: 214 total cpu time spent up to now is 558.7 secs Computing kpt #: 215 total cpu time spent up to now is 561.1 secs Computing kpt #: 216 total cpu time spent up to now is 563.4 secs Computing kpt #: 217 total cpu time spent up to now is 565.4 secs Computing kpt #: 218 total cpu time spent up to now is 567.6 secs Computing kpt #: 219 total cpu time spent up to now is 569.4 secs Computing kpt #: 220 total cpu time spent up to now is 571.1 secs Computing kpt #: 221 total cpu time spent up to now is 572.7 secs Computing kpt #: 222 total cpu time spent up to now is 574.2 secs Computing kpt #: 223 total cpu time spent up to now is 575.8 secs Computing kpt #: 224 total cpu time spent up to now is 577.4 secs Computing kpt #: 225 total cpu time spent up to now is 578.9 secs Computing kpt #: 226 total cpu time spent up to now is 580.7 secs Computing kpt #: 227 total cpu time spent up to now is 582.2 secs Computing kpt #: 228 total cpu time spent up to now is 583.8 secs Computing kpt #: 229 total cpu time spent up to now is 585.3 secs Computing kpt #: 230 total cpu time spent up to now is 586.8 secs Computing kpt #: 231 total cpu time spent up to now is 588.4 secs Computing kpt #: 232 total cpu time spent up to now is 590.1 secs Computing kpt #: 233 total cpu time spent up to now is 592.3 secs Computing kpt #: 234 total cpu time spent up to now is 594.8 secs Computing kpt #: 235 total cpu time spent up to now is 597.2 secs Computing kpt #: 236 total cpu time spent up to now is 599.3 secs Computing kpt #: 237 total cpu time spent up to now is 601.4 secs Computing kpt #: 238 total cpu time spent up to now is 603.6 secs Computing kpt #: 239 total cpu time spent up to now is 605.9 secs Computing kpt #: 240 total cpu time spent up to now is 608.4 secs Computing kpt #: 241 total cpu time spent up to now is 611.1 secs Computing kpt #: 242 total cpu time spent up to now is 613.9 secs Computing kpt #: 243 total cpu time spent up to now is 617.5 secs Computing kpt #: 244 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 621.2 secs Computing kpt #: 245 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 624.9 secs Computing kpt #: 246 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 628.6 secs Computing kpt #: 247 total cpu time spent up to now is 630.1 secs Computing kpt #: 248 total cpu time spent up to now is 631.7 secs Computing kpt #: 249 total cpu time spent up to now is 633.2 secs Computing kpt #: 250 total cpu time spent up to now is 635.0 secs Computing kpt #: 251 total cpu time spent up to now is 636.6 secs Computing kpt #: 252 total cpu time spent up to now is 638.5 secs Computing kpt #: 253 total cpu time spent up to now is 640.5 secs Computing kpt #: 254 total cpu time spent up to now is 642.7 secs Computing kpt #: 255 total cpu time spent up to now is 645.2 secs Computing kpt #: 256 total cpu time spent up to now is 648.0 secs Computing kpt #: 257 total cpu time spent up to now is 650.7 secs Computing kpt #: 258 total cpu time spent up to now is 653.4 secs Computing kpt #: 259 total cpu time spent up to now is 655.9 secs Computing kpt #: 260 total cpu time spent up to now is 658.2 secs Computing kpt #: 261 total cpu time spent up to now is 660.6 secs Computing kpt #: 262 total cpu time spent up to now is 662.9 secs Computing kpt #: 263 total cpu time spent up to now is 665.1 secs Computing kpt #: 264 total cpu time spent up to now is 667.2 secs Computing kpt #: 265 total cpu time spent up to now is 669.3 secs Computing kpt #: 266 total cpu time spent up to now is 671.6 secs Computing kpt #: 267 total cpu time spent up to now is 673.9 secs Computing kpt #: 268 total cpu time spent up to now is 676.2 secs Computing kpt #: 269 total cpu time spent up to now is 678.6 secs Computing kpt #: 270 total cpu time spent up to now is 681.1 secs Computing kpt #: 271 total cpu time spent up to now is 683.5 secs Computing kpt #: 272 total cpu time spent up to now is 685.6 secs Computing kpt #: 273 total cpu time spent up to now is 687.6 secs Computing kpt #: 274 total cpu time spent up to now is 689.5 secs Computing kpt #: 275 total cpu time spent up to now is 691.5 secs Computing kpt #: 276 total cpu time spent up to now is 693.5 secs Computing kpt #: 277 total cpu time spent up to now is 695.5 secs Computing kpt #: 278 total cpu time spent up to now is 697.7 secs Computing kpt #: 279 total cpu time spent up to now is 699.9 secs Computing kpt #: 280 total cpu time spent up to now is 702.4 secs Computing kpt #: 281 total cpu time spent up to now is 705.7 secs ethr = 1.72E-08, avg # of iterations = 56.7 total cpu time spent up to now is 705.7 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 11719 PWs) bands (ev): -80.4423 -80.4423 -80.4416 -80.4416 -46.1131 -46.1131 -46.1128 -46.1128 -44.3812 -44.3812 -44.3808 -44.3808 -44.3710 -44.3710 -44.3707 -44.3707 4.8084 4.8084 7.2555 7.2555 7.8371 7.8371 8.0225 8.0225 8.1244 8.1244 8.1505 8.1505 8.1816 8.1816 8.4670 8.4670 8.5063 8.5063 8.6908 8.6908 8.7137 8.7137 9.9031 9.9031 9.9667 9.9667 10.2092 10.2092 10.5437 10.5437 10.6550 10.6550 10.7553 10.7553 10.8418 10.8418 10.8458 10.8458 11.1117 11.1117 11.2257 11.2257 11.6324 11.6324 11.6402 11.6402 11.6875 11.6875 11.7340 11.7340 12.0207 12.0207 12.0759 12.0759 k = 0.0161 0.0093-0.0000 ( 11743 PWs) bands (ev): -80.4424 -80.4424 -80.4419 -80.4419 -46.1131 -46.1131 -46.1129 -46.1129 -44.3812 -44.3812 -44.3809 -44.3809 -44.3711 -44.3711 -44.3708 -44.3708 4.8104 4.8104 7.2569 7.2569 7.8386 7.8386 8.0237 8.0237 8.1251 8.1251 8.1510 8.1510 8.1831 8.1831 8.4674 8.4674 8.5067 8.5067 8.6909 8.6909 8.7138 8.7138 9.9028 9.9028 9.9664 9.9664 10.2084 10.2084 10.5408 10.5408 10.6483 10.6483 10.7579 10.7579 10.8361 10.8361 10.8525 10.8525 11.1120 11.1120 11.2257 11.2257 11.6129 11.6129 11.6496 11.6496 11.6815 11.6815 11.7473 11.7473 12.0191 12.0191 12.0758 12.0758 k = 0.0323 0.0186-0.0000 ( 11749 PWs) bands (ev): -80.4424 -80.4424 -80.4421 -80.4421 -46.1131 -46.1131 -46.1129 -46.1129 -44.3812 -44.3812 -44.3809 -44.3809 -44.3711 -44.3711 -44.3708 -44.3708 4.8167 4.8167 7.2609 7.2609 7.8431 7.8431 8.0274 8.0274 8.1273 8.1273 8.1528 8.1528 8.1875 8.1875 8.4690 8.4690 8.5081 8.5081 8.6924 8.6924 8.7154 8.7154 9.9031 9.9031 9.9666 9.9666 10.2058 10.2058 10.5326 10.5326 10.6309 10.6309 10.7639 10.7639 10.8304 10.8304 10.8614 10.8614 11.1135 11.1135 11.2265 11.2265 11.5880 11.5880 11.6341 11.6341 11.6930 11.6930 11.7719 11.7719 12.0144 12.0144 12.0750 12.0750 k = 0.0484 0.0279-0.0000 ( 11745 PWs) bands (ev): -80.4423 -80.4423 -80.4422 -80.4422 -46.1131 -46.1131 -46.1130 -46.1130 -44.3811 -44.3811 -44.3809 -44.3809 -44.3710 -44.3710 -44.3709 -44.3709 4.8272 4.8272 7.2676 7.2676 7.8506 7.8506 8.0336 8.0336 8.1307 8.1307 8.1564 8.1564 8.1946 8.1946 8.4714 8.4714 8.5109 8.5109 8.6949 8.6949 8.7183 8.7183 9.9044 9.9044 9.9678 9.9678 10.2013 10.2013 10.5190 10.5190 10.6063 10.6063 10.7697 10.7697 10.8267 10.8267 10.8705 10.8705 11.1160 11.1160 11.2282 11.2282 11.5617 11.5617 11.6070 11.6070 11.7128 11.7128 11.7986 11.7986 12.0066 12.0066 12.0726 12.0726 k = 0.0645 0.0372-0.0000 ( 11743 PWs) bands (ev): -80.4423 -80.4423 -80.4421 -80.4421 -46.1131 -46.1131 -46.1129 -46.1129 -44.3811 -44.3811 -44.3809 -44.3809 -44.3711 -44.3711 -44.3709 -44.3709 4.8419 4.8419 7.2769 7.2769 7.8609 7.8609 8.0423 8.0423 8.1349 8.1349 8.1625 8.1625 8.2042 8.2042 8.4744 8.4744 8.5152 8.5152 8.6983 8.6983 8.7227 8.7227 9.9050 9.9050 9.9682 9.9682 10.1954 10.1954 10.5000 10.5000 10.5771 10.5771 10.7723 10.7723 10.8258 10.8258 10.8791 10.8791 11.1199 11.1199 11.2318 11.2318 11.5339 11.5339 11.5781 11.5781 11.7333 11.7333 11.8254 11.8254 11.9960 11.9960 12.0674 12.0674 k = 0.0806 0.0466-0.0000 ( 11751 PWs) bands (ev): -80.4424 -80.4424 -80.4421 -80.4421 -46.1131 -46.1131 -46.1129 -46.1129 -44.3811 -44.3811 -44.3809 -44.3809 -44.3711 -44.3711 -44.3709 -44.3709 4.8607 4.8607 7.2886 7.2886 7.8737 7.8737 8.0532 8.0532 8.1392 8.1392 8.1712 8.1712 8.2160 8.2160 8.4777 8.4777 8.5215 8.5215 8.7021 8.7021 8.7288 8.7288 9.9057 9.9057 9.9686 9.9686 10.1874 10.1874 10.4757 10.4757 10.5448 10.5448 10.7705 10.7705 10.8277 10.8277 10.8871 10.8871 11.1238 11.1238 11.2368 11.2368 11.5046 11.5046 11.5492 11.5492 11.7530 11.7530 11.8515 11.8515 11.9826 11.9826 12.0583 12.0583 k = 0.0968 0.0559-0.0000 ( 11749 PWs) bands (ev): -80.4424 -80.4424 -80.4421 -80.4421 -46.1131 -46.1131 -46.1129 -46.1129 -44.3811 -44.3811 -44.3809 -44.3809 -44.3711 -44.3711 -44.3709 -44.3709 4.8837 4.8837 7.3026 7.3026 7.8888 7.8888 8.0665 8.0665 8.1434 8.1434 8.1828 8.1828 8.2298 8.2298 8.4816 8.4816 8.5302 8.5302 8.7064 8.7064 8.7367 8.7367 9.9066 9.9066 9.9691 9.9691 10.1773 10.1773 10.4467 10.4467 10.5109 10.5109 10.7648 10.7648 10.8317 10.8317 10.8947 10.8947 11.1274 11.1274 11.2442 11.2442 11.4736 11.4736 11.5212 11.5212 11.7718 11.7718 11.8764 11.8764 11.9668 11.9668 12.0446 12.0446 k = 0.1129 0.0652-0.0000 ( 11744 PWs) bands (ev): -80.4424 -80.4424 -80.4420 -80.4420 -46.1131 -46.1131 -46.1129 -46.1129 -44.3811 -44.3811 -44.3809 -44.3809 -44.3711 -44.3711 -44.3709 -44.3709 4.9107 4.9107 7.3189 7.3189 7.9058 7.9058 8.0820 8.0820 8.1477 8.1477 8.1972 8.1972 8.2455 8.2455 8.4863 8.4863 8.5412 8.5412 8.7109 8.7109 8.7467 8.7467 9.9076 9.9076 9.9698 9.9698 10.1654 10.1654 10.4137 10.4137 10.4751 10.4751 10.7553 10.7553 10.8365 10.8365 10.9023 10.9023 11.1302 11.1302 11.2546 11.2546 11.4409 11.4409 11.4942 11.4942 11.7895 11.7895 11.8992 11.8992 11.9489 11.9489 12.0263 12.0263 k = 0.1290 0.0745-0.0000 ( 11736 PWs) bands (ev): -80.4424 -80.4424 -80.4419 -80.4419 -46.1131 -46.1131 -46.1129 -46.1129 -44.3811 -44.3811 -44.3809 -44.3809 -44.3711 -44.3711 -44.3708 -44.3708 4.9417 4.9417 7.3370 7.3370 7.9236 7.9236 8.0995 8.0995 8.1523 8.1523 8.2144 8.2144 8.2628 8.2628 8.4923 8.4923 8.5543 8.5543 8.7158 8.7158 8.7584 8.7584 9.9089 9.9089 9.9708 9.9708 10.1512 10.1512 10.3776 10.3776 10.4379 10.4379 10.7425 10.7425 10.8415 10.8415 10.9097 10.9097 11.1313 11.1313 11.2686 11.2686 11.4067 11.4067 11.4685 11.4685 11.8060 11.8060 11.9155 11.9155 11.9309 11.9309 12.0054 12.0054 k = 0.1452 0.0838-0.0000 ( 11734 PWs) bands (ev): -80.4424 -80.4424 -80.4419 -80.4419 -46.1131 -46.1131 -46.1129 -46.1129 -44.3811 -44.3811 -44.3808 -44.3808 -44.3711 -44.3711 -44.3708 -44.3708 4.9768 4.9768 7.3568 7.3568 7.9413 7.9413 8.1189 8.1189 8.1579 8.1579 8.2337 8.2337 8.2813 8.2813 8.5001 8.5001 8.5695 8.5695 8.7208 8.7208 8.7724 8.7724 9.9102 9.9102 9.9717 9.9717 10.1344 10.1344 10.3394 10.3394 10.3989 10.3989 10.7262 10.7262 10.8457 10.8457 10.9176 10.9176 11.1306 11.1306 11.2857 11.2857 11.3718 11.3718 11.4438 11.4438 11.8209 11.8209 11.9046 11.9046 11.9231 11.9231 11.9917 11.9917 k = 0.1613 0.0931-0.0000 ( 11722 PWs) bands (ev): -80.4422 -80.4422 -80.4418 -80.4418 -46.1131 -46.1131 -46.1129 -46.1129 -44.3811 -44.3811 -44.3808 -44.3808 -44.3711 -44.3711 -44.3709 -44.3709 5.0157 5.0157 7.3779 7.3779 7.9572 7.9572 8.1401 8.1401 8.1657 8.1657 8.2553 8.2553 8.3010 8.3010 8.5106 8.5106 8.5866 8.5866 8.7263 8.7263 8.7885 8.7885 9.9119 9.9119 9.9728 9.9728 10.1153 10.1153 10.3004 10.3004 10.3582 10.3582 10.7067 10.7067 10.8492 10.8492 10.9261 10.9261 11.1280 11.1280 11.3048 11.3048 11.3375 11.3375 11.4206 11.4206 11.8335 11.8335 11.8830 11.8830 11.8961 11.8961 11.9983 11.9983 k = 0.1774 0.1024-0.0000 ( 11716 PWs) bands (ev): -80.4422 -80.4422 -80.4417 -80.4417 -46.1131 -46.1131 -46.1129 -46.1129 -44.3811 -44.3811 -44.3808 -44.3808 -44.3711 -44.3711 -44.3709 -44.3709 5.0585 5.0585 7.3995 7.3995 7.9692 7.9692 8.1629 8.1629 8.1776 8.1776 8.2790 8.2790 8.3218 8.3218 8.5238 8.5238 8.6053 8.6053 8.7317 8.7317 8.8066 8.8066 9.9130 9.9130 9.9730 9.9730 10.0940 10.0940 10.2615 10.2615 10.3157 10.3157 10.6839 10.6839 10.8517 10.8517 10.9353 10.9353 11.1237 11.1237 11.2957 11.2957 11.3332 11.3332 11.3990 11.3990 11.8357 11.8357 11.8517 11.8517 11.8664 11.8664 12.0158 12.0158 k = 0.1935 0.1117-0.0000 ( 11716 PWs) bands (ev): -80.4421 -80.4421 -80.4418 -80.4418 -46.1131 -46.1131 -46.1129 -46.1129 -44.3811 -44.3811 -44.3808 -44.3808 -44.3711 -44.3711 -44.3709 -44.3709 5.1050 5.1050 7.4211 7.4211 7.9754 7.9754 8.1870 8.1870 8.1952 8.1952 8.3045 8.3045 8.3435 8.3435 8.5401 8.5401 8.6253 8.6253 8.7375 8.7375 8.8266 8.8266 9.9146 9.9146 9.9728 9.9728 10.0708 10.0708 10.2230 10.2230 10.2710 10.2710 10.6581 10.6581 10.8527 10.8527 10.9450 10.9450 11.1179 11.1179 11.2597 11.2597 11.3519 11.3519 11.3848 11.3848 11.7874 11.7874 11.8242 11.8242 11.8689 11.8689 12.0358 12.0358 k = 0.2097 0.1211-0.0000 ( 11706 PWs) bands (ev): -80.4420 -80.4420 -80.4417 -80.4417 -46.1130 -46.1130 -46.1128 -46.1128 -44.3810 -44.3810 -44.3808 -44.3808 -44.3711 -44.3711 -44.3709 -44.3709 5.1552 5.1552 7.4415 7.4415 7.9753 7.9753 8.2124 8.2124 8.2191 8.2191 8.3318 8.3318 8.3662 8.3662 8.5593 8.5593 8.6466 8.6466 8.7436 8.7436 8.8492 8.8492 9.9159 9.9159 9.9708 9.9708 10.0474 10.0474 10.1851 10.1851 10.2249 10.2249 10.6294 10.6294 10.8527 10.8527 10.9549 10.9549 11.1110 11.1110 11.2228 11.2228 11.3460 11.3460 11.4007 11.4007 11.7195 11.7195 11.7984 11.7984 11.8785 11.8785 12.0565 12.0565 k = 0.2258 0.1304-0.0000 ( 11698 PWs) bands (ev): -80.4420 -80.4420 -80.4416 -80.4416 -46.1130 -46.1130 -46.1128 -46.1128 -44.3810 -44.3810 -44.3808 -44.3808 -44.3711 -44.3711 -44.3709 -44.3709 5.2090 5.2090 7.4593 7.4593 7.9700 7.9700 8.2387 8.2387 8.2493 8.2493 8.3605 8.3605 8.3903 8.3903 8.5815 8.5815 8.6692 8.6692 8.7497 8.7497 8.8741 8.8741 9.9168 9.9168 9.9639 9.9639 10.0269 10.0269 10.1478 10.1478 10.1778 10.1778 10.5980 10.5980 10.8513 10.8513 10.9645 10.9645 11.1036 11.1036 11.1857 11.1857 11.3280 11.3280 11.4323 11.4323 11.6437 11.6437 11.7712 11.7712 11.8886 11.8886 12.0770 12.0770 k = 0.2419 0.1397-0.0000 ( 11692 PWs) bands (ev): -80.4419 -80.4419 -80.4415 -80.4415 -46.1130 -46.1130 -46.1128 -46.1128 -44.3810 -44.3810 -44.3808 -44.3808 -44.3711 -44.3711 -44.3708 -44.3708 5.2663 5.2663 7.4725 7.4725 7.9619 7.9619 8.2653 8.2653 8.2847 8.2847 8.3902 8.3902 8.4160 8.4160 8.6060 8.6060 8.6929 8.6929 8.7561 8.7561 8.9014 8.9014 9.9171 9.9171 9.9485 9.9485 10.0133 10.0133 10.1100 10.1100 10.1307 10.1307 10.5642 10.5642 10.8485 10.8485 10.9728 10.9728 11.0962 11.0962 11.1491 11.1491 11.3093 11.3093 11.4683 11.4683 11.5621 11.5621 11.7435 11.7435 11.8984 11.8984 12.0971 12.0971 k = 0.2581 0.1490-0.0000 ( 11706 PWs) bands (ev): -80.4420 -80.4420 -80.4417 -80.4417 -46.1130 -46.1130 -46.1129 -46.1129 -44.3810 -44.3810 -44.3808 -44.3808 -44.3711 -44.3711 -44.3709 -44.3709 5.3270 5.3270 7.4786 7.4786 7.9542 7.9542 8.2921 8.2921 8.3235 8.3235 8.4205 8.4205 8.4441 8.4441 8.6325 8.6325 8.7175 8.7175 8.7624 8.7624 8.9311 8.9311 9.9150 9.9150 9.9259 9.9259 10.0063 10.0063 10.0687 10.0687 10.0870 10.0870 10.5281 10.5281 10.8441 10.8441 10.9781 10.9781 11.0885 11.0885 11.1146 11.1146 11.2909 11.2909 11.4753 11.4753 11.5075 11.5075 11.7160 11.7160 11.9076 11.9076 12.1166 12.1166 k = 0.2742 0.1583-0.0000 ( 11702 PWs) bands (ev): -80.4419 -80.4419 -80.4417 -80.4417 -46.1130 -46.1130 -46.1129 -46.1129 -44.3810 -44.3810 -44.3808 -44.3808 -44.3711 -44.3711 -44.3709 -44.3709 5.3909 5.3909 7.4751 7.4751 7.9502 7.9502 8.3188 8.3188 8.3639 8.3639 8.4518 8.4518 8.4751 8.4751 8.6605 8.6605 8.7429 8.7429 8.7690 8.7690 8.9635 8.9635 9.8936 9.8936 9.9175 9.9175 10.0007 10.0007 10.0243 10.0243 10.0501 10.0501 10.4905 10.4905 10.8386 10.8386 10.9793 10.9793 11.0678 11.0678 11.0971 11.0971 11.2735 11.2735 11.3873 11.3873 11.5472 11.5472 11.6894 11.6894 11.9162 11.9162 12.1355 12.1355 k = 0.2903 0.1676-0.0000 ( 11692 PWs) bands (ev): -80.4419 -80.4419 -80.4416 -80.4416 -46.1130 -46.1130 -46.1128 -46.1128 -44.3810 -44.3810 -44.3808 -44.3808 -44.3711 -44.3711 -44.3709 -44.3709 5.4579 5.4579 7.4597 7.4597 7.9525 7.9525 8.3450 8.3450 8.4033 8.4033 8.4857 8.4857 8.5088 8.5088 8.6895 8.6895 8.7688 8.7688 8.7758 8.7758 8.9990 8.9990 9.8630 9.8630 9.9125 9.9125 9.9710 9.9710 9.9983 9.9983 10.0234 10.0234 10.4515 10.4515 10.8319 10.8319 10.9751 10.9751 11.0336 11.0336 11.0980 11.0980 11.2571 11.2571 11.2978 11.2978 11.5886 11.5886 11.6642 11.6642 11.9243 11.9243 12.1538 12.1538 k = 0.3065 0.1769-0.0000 ( 11716 PWs) bands (ev): -80.4421 -80.4421 -80.4418 -80.4418 -46.1131 -46.1131 -46.1129 -46.1129 -44.3811 -44.3811 -44.3808 -44.3808 -44.3711 -44.3711 -44.3710 -44.3710 5.5278 5.5278 7.4316 7.4316 7.9622 7.9622 8.3704 8.3704 8.4389 8.4389 8.5235 8.5235 8.5447 8.5447 8.7190 8.7190 8.7813 8.7813 8.7961 8.7961 9.0371 9.0371 9.8297 9.8297 9.8923 9.8923 9.9389 9.9389 9.9702 9.9702 10.0157 10.0157 10.4110 10.4110 10.8237 10.8237 10.9651 10.9651 10.9975 10.9975 11.1040 11.1040 11.2088 11.2088 11.2417 11.2417 11.6284 11.6284 11.6427 11.6427 11.9318 11.9318 12.1713 12.1713 k = 0.3226 0.1862-0.0000 ( 11704 PWs) bands (ev): -80.4420 -80.4420 -80.4417 -80.4417 -46.1130 -46.1130 -46.1129 -46.1129 -44.3810 -44.3810 -44.3808 -44.3808 -44.3711 -44.3711 -44.3710 -44.3710 5.6006 5.6006 7.3913 7.3913 7.9791 7.9791 8.3947 8.3947 8.4696 8.4696 8.5650 8.5650 8.5842 8.5842 8.7492 8.7492 8.7877 8.7877 8.8238 8.8238 9.0784 9.0784 9.7951 9.7951 9.8485 9.8485 9.9293 9.9293 9.9381 9.9381 10.0153 10.0153 10.3702 10.3702 10.8151 10.8151 10.9486 10.9486 10.9636 10.9636 11.1126 11.1126 11.1235 11.1235 11.2275 11.2275 11.6186 11.6186 11.6741 11.6741 11.9387 11.9387 12.1881 12.1881 k = 0.3387 0.1956-0.0000 ( 11708 PWs) bands (ev): -80.4419 -80.4419 -80.4418 -80.4418 -46.1130 -46.1130 -46.1129 -46.1129 -44.3810 -44.3810 -44.3808 -44.3808 -44.3711 -44.3711 -44.3710 -44.3710 5.6761 5.6761 7.3403 7.3403 8.0019 8.0019 8.4176 8.4176 8.4958 8.4958 8.6053 8.6053 8.6292 8.6292 8.7795 8.7795 8.7936 8.7936 8.8524 8.8524 9.1220 9.1220 9.7583 9.7583 9.7975 9.7975 9.9069 9.9069 9.9264 9.9264 10.0154 10.0154 10.3293 10.3293 10.8053 10.8053 10.9126 10.9126 10.9421 10.9421 11.0444 11.0444 11.1229 11.1229 11.2142 11.2142 11.6007 11.6007 11.7161 11.7161 11.9451 11.9451 12.2041 12.2041 k = 0.3548 0.2049-0.0000 ( 11698 PWs) bands (ev): -80.4419 -80.4419 -80.4416 -80.4416 -46.1130 -46.1130 -46.1129 -46.1129 -44.3810 -44.3810 -44.3808 -44.3808 -44.3711 -44.3711 -44.3710 -44.3710 5.7540 5.7540 7.2804 7.2804 8.0288 8.0288 8.4390 8.4390 8.5187 8.5187 8.6425 8.6425 8.6792 8.6792 8.7992 8.7992 8.8104 8.8104 8.8824 8.8824 9.1687 9.1687 9.7175 9.7175 9.7454 9.7454 9.8781 9.8781 9.9250 9.9250 10.0154 10.0154 10.2885 10.2885 10.7939 10.7939 10.8635 10.8635 10.9252 10.9252 10.9794 10.9794 11.1321 11.1321 11.2022 11.2022 11.5860 11.5860 11.7577 11.7577 11.9509 11.9509 12.2192 12.2192 k = 0.3710 0.2142-0.0000 ( 11718 PWs) bands (ev): -80.4422 -80.4422 -80.4418 -80.4418 -46.1131 -46.1131 -46.1129 -46.1129 -44.3811 -44.3811 -44.3809 -44.3809 -44.3711 -44.3711 -44.3710 -44.3710 5.8341 5.8341 7.2132 7.2132 8.0580 8.0580 8.4584 8.4584 8.5386 8.5386 8.6770 8.6770 8.7300 8.7300 8.8045 8.8045 8.8426 8.8426 8.9135 8.9135 9.2173 9.2173 9.6718 9.6718 9.6945 9.6945 9.8521 9.8521 9.9237 9.9237 10.0137 10.0137 10.2485 10.2485 10.7728 10.7728 10.8109 10.8109 10.9078 10.9078 10.9315 10.9315 11.1399 11.1399 11.1914 11.1914 11.5747 11.5747 11.7971 11.7971 11.9562 11.9562 12.2334 12.2334 k = 0.3871 0.2235-0.0000 ( 11704 PWs) bands (ev): -80.4421 -80.4421 -80.4416 -80.4416 -46.1131 -46.1131 -46.1129 -46.1129 -44.3811 -44.3811 -44.3808 -44.3808 -44.3711 -44.3711 -44.3709 -44.3709 5.9163 5.9163 7.1403 7.1403 8.0882 8.0882 8.4759 8.4759 8.5560 8.5560 8.7090 8.7090 8.7774 8.7774 8.8100 8.8100 8.8788 8.8788 8.9466 8.9466 9.2680 9.2680 9.6216 9.6216 9.6457 9.6457 9.8296 9.8296 9.9230 9.9230 10.0109 10.0109 10.2104 10.2104 10.7188 10.7188 10.7858 10.7858 10.8887 10.8887 10.8993 10.8993 11.1461 11.1461 11.1822 11.1822 11.5668 11.5668 11.8345 11.8345 11.9609 11.9609 12.2467 12.2467 k = 0.4032 0.2328-0.0000 ( 11716 PWs) bands (ev): -80.4423 -80.4423 -80.4416 -80.4416 -46.1131 -46.1131 -46.1129 -46.1129 -44.3811 -44.3811 -44.3809 -44.3809 -44.3712 -44.3712 -44.3710 -44.3710 6.0003 6.0003 7.0628 7.0628 8.1178 8.1178 8.4913 8.4913 8.5709 8.5709 8.7378 8.7378 8.8106 8.8106 8.8212 8.8212 8.9214 8.9214 8.9816 8.9816 9.3197 9.3197 9.5681 9.5681 9.5966 9.5966 9.8102 9.8102 9.9218 9.9218 10.0053 10.0053 10.1743 10.1743 10.6527 10.6527 10.7735 10.7735 10.8653 10.8653 10.8803 10.8803 11.1503 11.1503 11.1739 11.1739 11.5620 11.5620 11.8684 11.8684 11.9650 11.9650 12.2590 12.2590 k = 0.4194 0.2421-0.0000 ( 11720 PWs) bands (ev): -80.4425 -80.4425 -80.4415 -80.4415 -46.1132 -46.1132 -46.1129 -46.1129 -44.3811 -44.3811 -44.3808 -44.3808 -44.3712 -44.3712 -44.3709 -44.3709 6.0857 6.0857 6.9819 6.9819 8.1456 8.1456 8.5044 8.5044 8.5834 8.5834 8.7629 8.7629 8.8165 8.8165 8.8499 8.8499 8.9718 8.9718 9.0193 9.0193 9.3712 9.3712 9.5138 9.5138 9.5467 9.5467 9.7943 9.7943 9.9201 9.9201 9.9969 9.9969 10.1415 10.1415 10.5899 10.5899 10.7640 10.7640 10.8441 10.8441 10.8659 10.8659 11.1526 11.1526 11.1673 11.1673 11.5598 11.5598 11.8987 11.8987 11.9685 11.9685 12.2703 12.2704 k = 0.4355 0.2514-0.0000 ( 11724 PWs) bands (ev): -80.4426 -80.4426 -80.4415 -80.4415 -46.1132 -46.1132 -46.1129 -46.1129 -44.3812 -44.3812 -44.3809 -44.3809 -44.3712 -44.3712 -44.3709 -44.3709 6.1722 6.1722 6.8983 6.8983 8.1703 8.1703 8.5153 8.5153 8.5935 8.5935 8.7839 8.7839 8.8198 8.8198 8.8722 8.8722 9.0275 9.0275 9.0596 9.0596 9.4195 9.4195 9.4599 9.4599 9.4967 9.4967 9.7816 9.7816 9.9183 9.9183 9.9856 9.9856 10.1125 10.1125 10.5349 10.5349 10.7559 10.7559 10.8270 10.8270 10.8537 10.8537 11.1528 11.1528 11.1624 11.1624 11.5595 11.5595 11.9246 11.9246 11.9714 11.9714 12.2807 12.2807 k = 0.4516 0.2607-0.0000 ( 11734 PWs) bands (ev): -80.4427 -80.4427 -80.4416 -80.4416 -46.1132 -46.1132 -46.1129 -46.1129 -44.3812 -44.3812 -44.3809 -44.3809 -44.3713 -44.3713 -44.3710 -44.3710 6.2591 6.2591 6.8133 6.8133 8.1910 8.1910 8.5238 8.5238 8.6011 8.6011 8.8002 8.8002 8.8223 8.8223 8.8887 8.8887 9.0859 9.0859 9.1023 9.1023 9.4060 9.4060 9.4314 9.4314 9.4776 9.4776 9.7718 9.7718 9.9158 9.9158 9.9723 9.9723 10.0882 10.0882 10.4902 10.4902 10.7492 10.7492 10.8138 10.8138 10.8437 10.8437 11.1513 11.1513 11.1597 11.1597 11.5600 11.5600 11.9452 11.9452 11.9736 11.9736 12.2899 12.2899 k = 0.4677 0.2701-0.0000 ( 11728 PWs) bands (ev): -80.4426 -80.4426 -80.4416 -80.4416 -46.1132 -46.1132 -46.1129 -46.1129 -44.3812 -44.3812 -44.3809 -44.3809 -44.3712 -44.3712 -44.3710 -44.3710 6.3451 6.3451 6.7285 6.7285 8.2067 8.2067 8.5299 8.5299 8.6064 8.6064 8.8118 8.8118 8.8243 8.8243 8.9002 8.9002 9.1440 9.1440 9.1483 9.1483 9.3539 9.3539 9.3810 9.3810 9.5120 9.5120 9.7653 9.7653 9.9122 9.9122 9.9596 9.9596 10.0700 10.0700 10.4577 10.4577 10.7444 10.7444 10.8047 10.8047 10.8364 10.8364 11.1493 11.1493 11.1585 11.1585 11.5609 11.5609 11.9605 11.9605 11.9752 11.9752 12.2977 12.2978 k = 0.4839 0.2794-0.0000 ( 11734 PWs) bands (ev): -80.4427 -80.4427 -80.4416 -80.4416 -46.1133 -46.1133 -46.1129 -46.1129 -44.3812 -44.3812 -44.3809 -44.3809 -44.3713 -44.3713 -44.3710 -44.3710 6.4255 6.4255 6.6486 6.6486 8.2164 8.2164 8.5335 8.5335 8.6095 8.6095 8.8186 8.8186 8.8259 8.8259 8.9069 8.9069 9.1908 9.1908 9.2053 9.2053 9.3047 9.3047 9.3251 9.3251 9.5387 9.5387 9.7609 9.7609 9.9076 9.9076 9.9507 9.9507 10.0585 10.0585 10.4380 10.4380 10.7411 10.7411 10.7991 10.7991 10.8318 10.8318 11.1480 11.1480 11.1579 11.1579 11.5617 11.5617 11.9698 11.9698 11.9762 11.9762 12.3036 12.3036 k = 0.5000 0.2887-0.0000 ( 11728 PWs) bands (ev): -80.4427 -80.4427 -80.4415 -80.4415 -46.1133 -46.1133 -46.1129 -46.1129 -44.3812 -44.3812 -44.3808 -44.3808 -44.3713 -44.3713 -44.3710 -44.3710 6.4717 6.4717 6.6026 6.6026 8.2197 8.2197 8.5347 8.5347 8.6106 8.6106 8.8207 8.8207 8.8266 8.8266 8.9091 8.9091 9.2207 9.2207 9.2538 9.2538 9.2729 9.2729 9.2784 9.2784 9.5487 9.5487 9.7595 9.7595 9.9054 9.9054 9.9478 9.9478 10.0548 10.0548 10.4315 10.4315 10.7400 10.7400 10.7973 10.7973 10.8305 10.8305 11.1475 11.1475 11.1577 11.1577 11.5621 11.5621 11.9730 11.9730 11.9765 11.9765 12.3059 12.3062 k = 0.5000 0.2887-0.0000 ( 11728 PWs) bands (ev): -80.4427 -80.4427 -80.4415 -80.4415 -46.1133 -46.1133 -46.1129 -46.1129 -44.3812 -44.3812 -44.3808 -44.3808 -44.3713 -44.3713 -44.3710 -44.3710 6.4717 6.4717 6.6026 6.6026 8.2197 8.2197 8.5347 8.5347 8.6106 8.6106 8.8207 8.8207 8.8266 8.8266 8.9091 8.9091 9.2207 9.2207 9.2538 9.2538 9.2729 9.2729 9.2784 9.2784 9.5487 9.5487 9.7595 9.7595 9.9054 9.9054 9.9478 9.9478 10.0548 10.0548 10.4315 10.4315 10.7400 10.7400 10.7973 10.7973 10.8305 10.8305 11.1475 11.1475 11.1577 11.1577 11.5621 11.5621 11.9730 11.9730 11.9765 11.9765 12.3059 12.3062 k = 0.4907 0.3047-0.0000 ( 11736 PWs) bands (ev): -80.4428 -80.4428 -80.4415 -80.4415 -46.1133 -46.1133 -46.1129 -46.1129 -44.3812 -44.3812 -44.3808 -44.3808 -44.3713 -44.3713 -44.3710 -44.3710 6.4734 6.4734 6.6045 6.6045 8.2179 8.2179 8.5337 8.5337 8.6120 8.6120 8.8085 8.8085 8.8288 8.8288 8.9178 8.9178 9.2199 9.2199 9.2490 9.2490 9.2785 9.2785 9.2829 9.2829 9.5483 9.5483 9.7584 9.7584 9.9050 9.9050 9.9472 9.9472 10.0514 10.0514 10.4319 10.4319 10.7354 10.7354 10.7939 10.7939 10.8395 10.8395 11.1474 11.1474 11.1568 11.1568 11.5632 11.5632 11.9713 11.9713 11.9742 11.9742 12.2843 12.2843 k = 0.4815 0.3208-0.0000 ( 11726 PWs) bands (ev): -80.4427 -80.4427 -80.4415 -80.4415 -46.1133 -46.1133 -46.1129 -46.1129 -44.3812 -44.3812 -44.3808 -44.3808 -44.3713 -44.3713 -44.3710 -44.3710 6.4783 6.4783 6.6102 6.6102 8.2122 8.2122 8.5306 8.5306 8.6163 8.6163 8.7796 8.7796 8.8377 8.8377 8.9361 8.9361 9.2178 9.2178 9.2442 9.2442 9.2795 9.2795 9.3028 9.3028 9.5473 9.5473 9.7556 9.7556 9.9043 9.9043 9.9460 9.9460 10.0415 10.0415 10.4330 10.4330 10.7246 10.7246 10.7889 10.7889 10.8593 10.8593 11.1471 11.1471 11.1551 11.1551 11.5666 11.5666 11.9574 11.9574 11.9775 11.9775 12.2432 12.2432 k = 0.4722 0.3368-0.0000 ( 11734 PWs) bands (ev): -80.4427 -80.4427 -80.4416 -80.4416 -46.1133 -46.1133 -46.1129 -46.1129 -44.3812 -44.3812 -44.3809 -44.3809 -44.3713 -44.3713 -44.3710 -44.3710 6.4866 6.4866 6.6197 6.6197 8.2014 8.2014 8.5261 8.5261 8.6233 8.6233 8.7456 8.7456 8.8521 8.8521 8.9555 8.9555 9.2143 9.2143 9.2424 9.2424 9.2808 9.2808 9.3272 9.3272 9.5454 9.5454 9.7506 9.7506 9.9024 9.9024 9.9436 9.9436 10.0251 10.0251 10.4349 10.4349 10.7113 10.7113 10.7839 10.7839 10.8827 10.8827 11.1464 11.1464 11.1521 11.1521 11.5726 11.5726 11.9367 11.9367 11.9828 11.9828 12.1966 12.1966 k = 0.4630 0.3528-0.0000 ( 11730 PWs) bands (ev): -80.4427 -80.4427 -80.4415 -80.4415 -46.1133 -46.1133 -46.1129 -46.1129 -44.3812 -44.3812 -44.3809 -44.3809 -44.3713 -44.3713 -44.3710 -44.3710 6.4981 6.4981 6.6328 6.6328 8.1836 8.1836 8.5204 8.5204 8.6328 8.6328 8.7128 8.7128 8.8715 8.8715 8.9747 8.9747 9.2098 9.2098 9.2441 9.2441 9.2826 9.2826 9.3541 9.3541 9.5428 9.5428 9.7436 9.7436 9.8990 9.8990 9.9404 9.9404 10.0035 10.0035 10.4376 10.4376 10.6990 10.6990 10.7784 10.7784 10.9074 10.9074 11.1450 11.1450 11.1483 11.1483 11.5817 11.5817 11.9119 11.9119 11.9904 11.9904 12.1485 12.1485 k = 0.4537 0.3689-0.0000 ( 11726 PWs) bands (ev): -80.4426 -80.4426 -80.4415 -80.4415 -46.1132 -46.1132 -46.1129 -46.1129 -44.3811 -44.3811 -44.3809 -44.3809 -44.3713 -44.3713 -44.3710 -44.3710 6.5128 6.5128 6.6496 6.6496 8.1565 8.1565 8.5143 8.5143 8.6439 8.6439 8.6861 8.6861 8.8955 8.8955 8.9936 8.9936 9.2036 9.2036 9.2485 9.2485 9.2844 9.2844 9.3815 9.3815 9.5396 9.5396 9.7349 9.7349 9.8942 9.8942 9.9362 9.9362 9.9780 9.9780 10.4411 10.4411 10.6878 10.6878 10.7722 10.7722 10.9311 10.9311 11.1419 11.1419 11.1451 11.1451 11.5942 11.5942 11.8852 11.8852 11.9997 11.9997 12.1005 12.1005 k = 0.4444 0.3849-0.0000 ( 11722 PWs) bands (ev): -80.4424 -80.4424 -80.4416 -80.4416 -46.1132 -46.1132 -46.1129 -46.1129 -44.3811 -44.3811 -44.3809 -44.3809 -44.3712 -44.3712 -44.3710 -44.3710 6.5307 6.5307 6.6699 6.6699 8.1185 8.1185 8.5081 8.5081 8.6526 8.6526 8.6725 8.6725 8.9233 8.9233 9.0127 9.0127 9.1964 9.1964 9.2554 9.2554 9.2862 9.2862 9.4080 9.4080 9.5356 9.5356 9.7240 9.7240 9.8871 9.8871 9.9255 9.9255 9.9549 9.9549 10.4454 10.4454 10.6789 10.6789 10.7647 10.7647 10.9532 10.9532 11.1360 11.1360 11.1432 11.1432 11.6106 11.6106 11.8580 11.8580 12.0096 12.0096 12.0549 12.0549 k = 0.4352 0.4009-0.0000 ( 11716 PWs) bands (ev): -80.4423 -80.4423 -80.4416 -80.4416 -46.1131 -46.1131 -46.1129 -46.1129 -44.3811 -44.3811 -44.3809 -44.3809 -44.3712 -44.3712 -44.3710 -44.3710 6.5517 6.5517 6.6935 6.6935 8.0689 8.0689 8.5021 8.5021 8.6513 8.6513 8.6811 8.6811 8.9547 8.9547 9.0326 9.0326 9.1876 9.1876 9.2645 9.2645 9.2879 9.2879 9.4323 9.4323 9.5307 9.5307 9.7111 9.7111 9.8777 9.8777 9.8982 9.8982 9.9460 9.9460 10.4504 10.4504 10.6720 10.6720 10.7561 10.7561 10.9724 10.9724 11.1287 11.1287 11.1416 11.1416 11.6314 11.6314 11.8315 11.8315 12.0002 12.0002 12.0318 12.0318 k = 0.4259 0.4170-0.0000 ( 11722 PWs) bands (ev): -80.4423 -80.4423 -80.4418 -80.4418 -46.1131 -46.1131 -46.1130 -46.1130 -44.3811 -44.3811 -44.3809 -44.3809 -44.3712 -44.3712 -44.3710 -44.3710 6.5757 6.5757 6.7203 6.7203 8.0085 8.0085 8.4965 8.4965 8.6537 8.6537 8.6982 8.6982 8.9890 8.9890 9.0535 9.0535 9.1773 9.1773 9.2753 9.2753 9.2896 9.2896 9.4536 9.4536 9.5248 9.5248 9.6965 9.6965 9.8614 9.8614 9.8657 9.8657 9.9436 9.9436 10.4561 10.4561 10.6665 10.6665 10.7461 10.7461 10.9883 10.9883 11.1205 11.1205 11.1394 11.1394 11.6574 11.6574 11.8066 11.8066 11.9600 11.9600 12.0431 12.0431 k = 0.4167 0.4330-0.0000 ( 11706 PWs) bands (ev): -80.4421 -80.4421 -80.4417 -80.4417 -46.1131 -46.1131 -46.1129 -46.1129 -44.3810 -44.3810 -44.3809 -44.3809 -44.3712 -44.3712 -44.3710 -44.3710 6.6027 6.6027 6.7500 6.7500 7.9390 7.9390 8.4915 8.4915 8.6643 8.6643 8.7179 8.7179 9.0261 9.0261 9.0758 9.0758 9.1656 9.1656 9.2858 9.2858 9.2928 9.2928 9.4717 9.4717 9.5180 9.5180 9.6802 9.6802 9.8217 9.8217 9.8513 9.8513 9.9437 9.9437 10.4627 10.4627 10.6625 10.6625 10.7350 10.7350 11.0010 11.0010 11.1116 11.1116 11.1375 11.1375 11.6888 11.6888 11.7837 11.7837 11.9197 11.9197 12.0583 12.0583 k = 0.4074 0.4491-0.0000 ( 11718 PWs) bands (ev): -80.4422 -80.4422 -80.4418 -80.4418 -46.1131 -46.1131 -46.1130 -46.1130 -44.3810 -44.3810 -44.3809 -44.3809 -44.3712 -44.3712 -44.3711 -44.3711 6.6324 6.6324 6.7824 6.7824 7.8623 7.8623 8.4872 8.4872 8.6823 8.6823 8.7386 8.7386 9.0651 9.0651 9.0997 9.0997 9.1520 9.1520 9.2892 9.2892 9.3043 9.3043 9.4854 9.4854 9.5101 9.5101 9.6619 9.6619 9.7800 9.7800 9.8347 9.8347 9.9439 9.9439 10.4698 10.4698 10.6586 10.6586 10.7231 10.7231 11.0100 11.0100 11.1020 11.1020 11.1353 11.1353 11.7250 11.7250 11.7640 11.7640 11.8823 11.8823 12.0744 12.0744 k = 0.3981 0.4651-0.0000 ( 11716 PWs) bands (ev): -80.4422 -80.4422 -80.4417 -80.4417 -46.1131 -46.1131 -46.1130 -46.1130 -44.3810 -44.3810 -44.3809 -44.3809 -44.3712 -44.3712 -44.3710 -44.3710 6.6649 6.6649 6.8170 6.8170 7.7804 7.7804 8.4836 8.4836 8.7065 8.7065 8.7605 8.7605 9.1038 9.1038 9.1265 9.1265 9.1372 9.1372 9.2896 9.2896 9.3201 9.3201 9.4949 9.4949 9.5012 9.5012 9.6424 9.6424 9.7381 9.7381 9.8161 9.8161 9.9442 9.9442 10.4778 10.4778 10.6548 10.6548 10.7113 10.7113 11.0161 11.0161 11.0922 11.0922 11.1332 11.1332 11.7434 11.7434 11.7699 11.7699 11.8488 11.8488 12.0908 12.0908 k = 0.3889 0.4811-0.0000 ( 11724 PWs) bands (ev): -80.4422 -80.4422 -80.4419 -80.4419 -46.1131 -46.1131 -46.1130 -46.1130 -44.3810 -44.3810 -44.3809 -44.3809 -44.3712 -44.3712 -44.3711 -44.3711 6.6999 6.6999 6.8533 6.8533 7.6950 7.6950 8.4806 8.4806 8.7358 8.7358 8.7822 8.7822 9.1165 9.1165 9.1413 9.1413 9.1606 9.1606 9.2891 9.2891 9.3371 9.3371 9.4910 9.4910 9.5006 9.5006 9.6219 9.6219 9.6966 9.6966 9.7958 9.7958 9.9450 9.9450 10.4866 10.4866 10.6486 10.6486 10.7007 10.7007 11.0196 11.0196 11.0823 11.0823 11.1308 11.1308 11.7302 11.7302 11.8054 11.8054 11.8295 11.8295 12.1062 12.1062 k = 0.3796 0.4972-0.0000 ( 11724 PWs) bands (ev): -80.4421 -80.4421 -80.4420 -80.4420 -46.1131 -46.1131 -46.1131 -46.1131 -44.3810 -44.3810 -44.3810 -44.3810 -44.3712 -44.3712 -44.3711 -44.3711 6.7374 6.7374 6.8903 6.8903 7.6081 7.6081 8.4783 8.4783 8.7689 8.7689 8.8036 8.8036 9.0973 9.0973 9.1688 9.1688 9.2023 9.2023 9.2883 9.2883 9.3558 9.3558 9.4798 9.4798 9.5017 9.5017 9.6009 9.6009 9.6567 9.6567 9.7740 9.7740 9.9461 9.9461 10.4961 10.4961 10.6392 10.6392 10.6930 10.6930 11.0213 11.0213 11.0727 11.0727 11.1285 11.1285 11.7191 11.7191 11.7878 11.7878 11.8730 11.8730 12.1200 12.1200 k = 0.3704 0.5132-0.0000 ( 11732 PWs) bands (ev): -80.4422 -80.4422 -80.4420 -80.4420 -46.1131 -46.1131 -46.1131 -46.1131 -44.3810 -44.3810 -44.3810 -44.3810 -44.3712 -44.3712 -44.3711 -44.3711 6.7770 6.7770 6.9266 6.9266 7.5216 7.5216 8.4766 8.4766 8.8047 8.8047 8.8241 8.8241 9.0744 9.0744 9.1945 9.1945 9.2461 9.2461 9.2877 9.2877 9.3755 9.3755 9.4675 9.4675 9.4981 9.4981 9.5804 9.5804 9.6193 9.6193 9.7513 9.7513 9.9466 9.9466 10.5064 10.5064 10.6262 10.6262 10.6884 10.6884 11.0219 11.0219 11.0635 11.0635 11.1267 11.1267 11.7113 11.7113 11.7659 11.7659 11.9288 11.9288 12.1309 12.1309 k = 0.3611 0.5292-0.0000 ( 11728 PWs) bands (ev): -80.4422 -80.4422 -80.4420 -80.4420 -46.1131 -46.1131 -46.1131 -46.1131 -44.3810 -44.3810 -44.3810 -44.3810 -44.3712 -44.3712 -44.3711 -44.3711 6.8188 6.8188 6.9592 6.9592 7.4390 7.4390 8.4756 8.4756 8.8382 8.8382 8.8466 8.8466 9.0486 9.0486 9.2181 9.2181 9.2796 9.2796 9.2974 9.2974 9.3959 9.3959 9.4546 9.4546 9.4904 9.4904 9.5616 9.5616 9.5859 9.5859 9.7288 9.7288 9.9474 9.9474 10.5177 10.5177 10.6107 10.6107 10.6861 10.6861 11.0222 11.0222 11.0553 11.0553 11.1252 11.1252 11.7068 11.7068 11.7473 11.7473 11.9876 11.9876 12.1379 12.1379 k = 0.3519 0.5453-0.0000 ( 11728 PWs) bands (ev): -80.4421 -80.4421 -80.4420 -80.4420 -46.1131 -46.1131 -46.1131 -46.1131 -44.3810 -44.3810 -44.3810 -44.3810 -44.3712 -44.3712 -44.3712 -44.3712 6.8623 6.8623 6.9823 6.9823 7.3667 7.3667 8.4749 8.4749 8.8555 8.8555 8.8829 8.8829 9.0199 9.0199 9.2377 9.2377 9.2832 9.2832 9.3349 9.3349 9.4143 9.4143 9.4425 9.4425 9.4800 9.4800 9.5447 9.5447 9.5587 9.5587 9.7079 9.7079 9.9478 9.9478 10.5294 10.5294 10.5944 10.5944 10.6849 10.6849 11.0225 11.0225 11.0485 11.0485 11.1238 11.1238 11.7056 11.7056 11.7324 11.7324 12.0458 12.0458 12.1397 12.1397 k = 0.3426 0.5613-0.0000 ( 11726 PWs) bands (ev): -80.4421 -80.4421 -80.4420 -80.4420 -46.1131 -46.1131 -46.1131 -46.1131 -44.3810 -44.3810 -44.3810 -44.3810 -44.3712 -44.3712 -44.3712 -44.3712 6.9073 6.9073 6.9848 6.9848 7.3158 7.3158 8.4746 8.4746 8.8662 8.8662 8.9205 8.9205 8.9885 8.9885 9.2501 9.2501 9.2852 9.2852 9.3685 9.3685 9.4180 9.4180 9.4435 9.4435 9.4693 9.4693 9.5283 9.5283 9.5430 9.5430 9.6918 9.6918 9.9479 9.9479 10.5409 10.5409 10.5794 10.5794 10.6844 10.6844 11.0229 11.0229 11.0439 11.0439 11.1230 11.1230 11.7075 11.7075 11.7210 11.7210 12.0958 12.0958 12.1365 12.1365 k = 0.3333 0.5774-0.0000 ( 11730 PWs) bands (ev): -80.4421 -80.4421 -80.4421 -80.4421 -46.1131 -46.1131 -46.1131 -46.1131 -44.3810 -44.3810 -44.3810 -44.3810 -44.3712 -44.3712 -44.3712 -44.3712 6.9482 6.9482 6.9603 6.9603 7.2983 7.2983 8.4745 8.4745 8.8705 8.8705 8.9546 8.9546 8.9564 8.9564 9.2538 9.2538 9.2870 9.2870 9.3835 9.3835 9.4122 9.4122 9.4510 9.4510 9.4638 9.4638 9.5198 9.5198 9.5384 9.5384 9.6852 9.6852 9.9477 9.9477 10.5475 10.5475 10.5713 10.5713 10.6845 10.6845 11.0230 11.0230 11.0424 11.0424 11.1225 11.1225 11.7112 11.7112 11.7143 11.7143 12.1194 12.1194 12.1320 12.1320 k = 0.3333 0.5774-0.0000 ( 11730 PWs) bands (ev): -80.4421 -80.4421 -80.4421 -80.4421 -46.1131 -46.1131 -46.1131 -46.1131 -44.3810 -44.3810 -44.3810 -44.3810 -44.3712 -44.3712 -44.3712 -44.3712 6.9482 6.9482 6.9603 6.9603 7.2983 7.2983 8.4745 8.4745 8.8705 8.8705 8.9546 8.9546 8.9564 8.9564 9.2538 9.2538 9.2870 9.2870 9.3835 9.3835 9.4122 9.4122 9.4510 9.4510 9.4638 9.4638 9.5198 9.5198 9.5384 9.5384 9.6852 9.6852 9.9477 9.9477 10.5475 10.5475 10.5713 10.5713 10.6845 10.6845 11.0230 11.0230 11.0424 11.0424 11.1225 11.1225 11.7112 11.7112 11.7143 11.7143 12.1194 12.1194 12.1320 12.1320 k = 0.3241 0.5613-0.0000 ( 11714 PWs) bands (ev): -80.4420 -80.4420 -80.4419 -80.4419 -46.1130 -46.1130 -46.1130 -46.1130 -44.3810 -44.3810 -44.3809 -44.3809 -44.3712 -44.3712 -44.3711 -44.3711 6.8935 6.8935 7.0022 7.0022 7.3122 7.3122 8.4746 8.4746 8.8644 8.8644 8.9244 8.9244 8.9855 8.9855 9.2510 9.2510 9.2841 9.2841 9.3733 9.3733 9.4135 9.4135 9.4470 9.4470 9.4647 9.4647 9.5296 9.5296 9.5431 9.5431 9.6932 9.6932 9.9481 9.9481 10.5416 10.5416 10.5792 10.5792 10.6846 10.6846 11.0231 11.0231 11.0441 11.0441 11.1231 11.1231 11.7076 11.7076 11.7208 11.7208 12.1080 12.1080 12.1225 12.1225 k = 0.3148 0.5453-0.0000 ( 11718 PWs) bands (ev): -80.4421 -80.4421 -80.4419 -80.4419 -46.1131 -46.1131 -46.1130 -46.1130 -44.3810 -44.3810 -44.3810 -44.3810 -44.3712 -44.3712 -44.3711 -44.3711 6.8153 6.8153 7.0503 7.0503 7.3450 7.3450 8.4746 8.4746 8.8420 8.8420 8.9014 8.9014 9.0075 9.0075 9.2419 9.2419 9.2752 9.2752 9.3544 9.3544 9.4044 9.4044 9.4427 9.4427 9.4650 9.4650 9.5530 9.5530 9.5575 9.5575 9.7165 9.7165 9.9481 9.9481 10.5330 10.5330 10.5934 10.5934 10.6854 10.6854 11.0236 11.0236 11.0484 11.0484 11.1241 11.1241 11.7054 11.7054 11.7312 11.7312 12.0811 12.0811 12.0937 12.0937 k = 0.3056 0.5292-0.0000 ( 11726 PWs) bands (ev): -80.4421 -80.4421 -80.4421 -80.4421 -46.1131 -46.1131 -46.1131 -46.1131 -44.3810 -44.3810 -44.3810 -44.3810 -44.3712 -44.3712 -44.3712 -44.3712 6.7282 6.7282 7.0990 7.0990 7.3875 7.3875 8.4744 8.4744 8.8052 8.8052 8.8849 8.8849 9.0192 9.0192 9.2256 9.2256 9.2634 9.2634 9.3328 9.3328 9.3830 9.3830 9.4412 9.4412 9.4707 9.4707 9.5785 9.5785 9.5850 9.5850 9.7508 9.7508 9.9480 9.9480 10.5276 10.5276 10.6092 10.6092 10.6873 10.6873 11.0256 11.0256 11.0545 11.0545 11.1258 11.1258 11.7056 11.7056 11.7439 11.7439 12.0310 12.0310 12.0700 12.0700 k = 0.2963 0.5132-0.0000 ( 11726 PWs) bands (ev): -80.4421 -80.4421 -80.4421 -80.4421 -46.1131 -46.1131 -46.1131 -46.1131 -44.3810 -44.3810 -44.3810 -44.3810 -44.3712 -44.3712 -44.3712 -44.3712 6.6371 6.6371 7.1476 7.1476 7.4350 7.4350 8.4740 8.4740 8.7615 8.7615 8.8685 8.8685 9.0189 9.0189 9.2024 9.2024 9.2498 9.2498 9.3094 9.3094 9.3530 9.3530 9.4442 9.4442 9.4842 9.4842 9.6059 9.6059 9.6218 9.6218 9.7907 9.7907 9.9482 9.9482 10.5276 10.5276 10.6253 10.6253 10.6914 10.6914 11.0296 11.0296 11.0617 11.0617 11.1284 11.1284 11.7080 11.7080 11.7586 11.7586 11.9732 11.9732 12.0462 12.0462 k = 0.2870 0.4972-0.0000 ( 11726 PWs) bands (ev): -80.4421 -80.4421 -80.4420 -80.4420 -46.1131 -46.1131 -46.1130 -46.1130 -44.3810 -44.3810 -44.3809 -44.3809 -44.3712 -44.3712 -44.3711 -44.3711 6.5442 6.5442 7.1959 7.1959 7.4851 7.4851 8.4731 8.4731 8.7147 8.7147 8.8497 8.8497 9.0067 9.0067 9.1740 9.1740 9.2342 9.2342 9.2839 9.2839 9.3180 9.3180 9.4526 9.4526 9.5049 9.5049 9.6367 9.6367 9.6639 9.6639 9.8312 9.8312 9.9488 9.9488 10.5343 10.5343 10.6404 10.6404 10.6987 10.6987 11.0361 11.0361 11.0695 11.0695 11.1318 11.1318 11.7124 11.7124 11.7746 11.7746 11.9136 11.9136 12.0216 12.0216 k = 0.2778 0.4811-0.0000 ( 11718 PWs) bands (ev): -80.4420 -80.4420 -80.4420 -80.4420 -46.1130 -46.1130 -46.1130 -46.1130 -44.3810 -44.3810 -44.3809 -44.3809 -44.3711 -44.3711 -44.3711 -44.3711 6.4509 6.4509 7.2433 7.2433 7.5363 7.5363 8.4715 8.4715 8.6664 8.6664 8.8283 8.8283 8.9843 8.9843 9.1417 9.1417 9.2161 9.2161 9.2553 9.2553 9.2816 9.2816 9.4666 9.4666 9.5307 9.5307 9.6697 9.6697 9.7110 9.7110 9.8687 9.8687 9.9504 9.9504 10.5494 10.5494 10.6535 10.6535 10.7108 10.7108 11.0451 11.0451 11.0772 11.0772 11.1362 11.1362 11.7183 11.7183 11.7903 11.7903 11.8561 11.8561 11.9967 11.9967 k = 0.2685 0.4651-0.0000 ( 11714 PWs) bands (ev): -80.4420 -80.4420 -80.4419 -80.4419 -46.1130 -46.1130 -46.1130 -46.1130 -44.3810 -44.3810 -44.3809 -44.3809 -44.3711 -44.3711 -44.3711 -44.3711 6.3580 6.3580 7.2893 7.2893 7.5878 7.5878 8.4691 8.4691 8.6174 8.6174 8.8043 8.8043 8.9540 8.9540 9.1067 9.1067 9.1952 9.1952 9.2213 9.2213 9.2476 9.2476 9.4853 9.4853 9.5594 9.5594 9.7042 9.7042 9.7621 9.7621 9.9000 9.9000 9.9540 9.9540 10.5739 10.5739 10.6641 10.6641 10.7277 10.7277 11.0564 11.0564 11.0845 11.0845 11.1417 11.1417 11.7256 11.7256 11.7848 11.7848 11.8224 11.8224 11.9718 11.9718 k = 0.2593 0.4491-0.0000 ( 11720 PWs) bands (ev): -80.4421 -80.4421 -80.4419 -80.4419 -46.1131 -46.1131 -46.1130 -46.1130 -44.3810 -44.3810 -44.3810 -44.3810 -44.3711 -44.3711 -44.3711 -44.3711 6.2659 6.2659 7.3334 7.3334 7.6388 7.6388 8.4656 8.4656 8.5686 8.5686 8.7784 8.7784 8.9178 8.9178 9.0689 9.0689 9.1718 9.1718 9.1823 9.1823 9.2169 9.2169 9.5077 9.5077 9.5896 9.5896 9.7396 9.7396 9.8165 9.8165 9.9209 9.9209 9.9626 9.9626 10.6085 10.6085 10.6730 10.6730 10.7484 10.7484 11.0695 11.0695 11.0913 11.0913 11.1482 11.1482 11.7300 11.7300 11.7387 11.7387 11.8358 11.8358 11.9472 11.9472 k = 0.2500 0.4330-0.0000 ( 11734 PWs) bands (ev): -80.4422 -80.4422 -80.4421 -80.4421 -46.1131 -46.1131 -46.1131 -46.1131 -44.3810 -44.3810 -44.3810 -44.3810 -44.3712 -44.3712 -44.3711 -44.3711 6.1750 6.1750 7.3749 7.3749 7.6887 7.6887 8.4607 8.4607 8.5208 8.5208 8.7509 8.7509 8.8775 8.8775 9.0294 9.0294 9.1396 9.1396 9.1474 9.1474 9.1880 9.1880 9.5335 9.5335 9.6200 9.6200 9.7756 9.7756 9.8725 9.8725 9.9311 9.9311 9.9761 9.9761 10.6530 10.6530 10.6816 10.6816 10.7722 10.7722 11.0821 11.0821 11.0992 11.0992 11.1558 11.1558 11.6813 11.6813 11.7442 11.7442 11.8545 11.8545 11.9234 11.9234 k = 0.2407 0.4170-0.0000 ( 11744 PWs) bands (ev): -80.4424 -80.4424 -80.4421 -80.4421 -46.1132 -46.1132 -46.1130 -46.1130 -44.3811 -44.3811 -44.3810 -44.3810 -44.3712 -44.3712 -44.3711 -44.3711 6.0858 6.0858 7.4131 7.4131 7.7370 7.7370 8.4534 8.4534 8.4752 8.4752 8.7226 8.7226 8.8345 8.8345 8.9883 8.9883 9.0982 9.0982 9.1191 9.1191 9.1596 9.1596 9.5619 9.5619 9.6506 9.6506 9.8118 9.8118 9.9196 9.9196 9.9453 9.9453 9.9913 9.9913 10.6902 10.6902 10.7078 10.7078 10.7981 10.7981 11.0884 11.0884 11.1130 11.1130 11.1648 11.1648 11.6307 11.6307 11.7542 11.7542 11.8726 11.8726 11.9017 11.9017 k = 0.2315 0.4009-0.0000 ( 11746 PWs) bands (ev): -80.4423 -80.4423 -80.4422 -80.4422 -46.1131 -46.1131 -46.1131 -46.1131 -44.3811 -44.3811 -44.3810 -44.3810 -44.3712 -44.3712 -44.3711 -44.3711 5.9983 5.9983 7.4476 7.4476 7.7834 7.7834 8.4273 8.4273 8.4491 8.4491 8.6932 8.6932 8.7898 8.7898 8.9460 8.9460 9.0573 9.0573 9.0898 9.0898 9.1314 9.1314 9.5932 9.5932 9.6814 9.6814 9.8477 9.8477 9.9305 9.9305 9.9831 9.9831 10.0167 10.0167 10.6995 10.6995 10.7698 10.7698 10.8257 10.8257 11.0893 11.0893 11.1319 11.1319 11.1754 11.1754 11.5831 11.5831 11.7647 11.7647 11.8731 11.8731 11.8986 11.8986 k = 0.2222 0.3849-0.0000 ( 11738 PWs) bands (ev): -80.4424 -80.4424 -80.4419 -80.4419 -46.1132 -46.1132 -46.1130 -46.1130 -44.3811 -44.3811 -44.3809 -44.3809 -44.3712 -44.3712 -44.3710 -44.3710 5.9129 5.9129 7.4775 7.4775 7.8273 7.8273 8.3865 8.3865 8.4385 8.4385 8.6637 8.6637 8.7439 8.7439 8.9036 8.9036 9.0177 9.0177 9.0584 9.0584 9.1038 9.1038 9.6269 9.6269 9.7118 9.7118 9.8827 9.8827 9.9331 9.9331 9.9990 9.9990 10.0699 10.0699 10.7100 10.7100 10.8385 10.8385 10.8554 10.8554 11.0860 11.0860 11.1530 11.1530 11.1883 11.1883 11.5386 11.5386 11.7755 11.7755 11.8540 11.8540 11.9157 11.9157 k = 0.2130 0.3689-0.0000 ( 11738 PWs) bands (ev): -80.4424 -80.4424 -80.4419 -80.4419 -46.1132 -46.1132 -46.1130 -46.1130 -44.3811 -44.3811 -44.3809 -44.3809 -44.3712 -44.3712 -44.3710 -44.3710 5.8296 5.8296 7.5022 7.5022 7.8683 7.8683 8.3482 8.3482 8.4266 8.4266 8.6339 8.6339 8.6975 8.6975 8.8608 8.8608 8.9803 8.9803 9.0256 9.0256 9.0762 9.0762 9.6628 9.6628 9.7421 9.7421 9.9141 9.9141 9.9375 9.9375 10.0054 10.0054 10.1307 10.1307 10.7209 10.7209 10.8849 10.8849 10.9135 10.9135 11.0799 11.0799 11.1744 11.1744 11.2038 11.2038 11.4972 11.4972 11.7859 11.7859 11.8350 11.8350 11.9336 11.9336 k = 0.2037 0.3528-0.0000 ( 11740 PWs) bands (ev): -80.4425 -80.4425 -80.4418 -80.4418 -46.1132 -46.1132 -46.1130 -46.1130 -44.3811 -44.3811 -44.3809 -44.3809 -44.3712 -44.3712 -44.3710 -44.3710 5.7488 5.7488 7.5211 7.5211 7.9058 7.9058 8.3137 8.3137 8.4126 8.4126 8.6043 8.6043 8.6513 8.6513 8.8183 8.8183 8.9453 8.9453 8.9915 8.9915 9.0490 9.0490 9.7007 9.7007 9.7727 9.7727 9.9274 9.9274 9.9583 9.9583 10.0090 10.0090 10.1924 10.1924 10.7326 10.7326 10.9165 10.9165 10.9905 10.9905 11.0710 11.0710 11.1952 11.1952 11.2227 11.2227 11.4588 11.4588 11.7947 11.7947 11.8190 11.8190 11.9505 11.9505 k = 0.1944 0.3368-0.0000 ( 11728 PWs) bands (ev): -80.4424 -80.4424 -80.4417 -80.4417 -46.1132 -46.1132 -46.1129 -46.1129 -44.3811 -44.3811 -44.3808 -44.3808 -44.3712 -44.3712 -44.3710 -44.3710 5.6705 5.6705 7.5338 7.5338 7.9396 7.9396 8.2836 8.2836 8.3965 8.3965 8.5749 8.5749 8.6058 8.6058 8.7765 8.7765 8.9131 8.9131 8.9565 8.9565 9.0223 9.0223 9.7404 9.7404 9.8041 9.8041 9.9295 9.9295 9.9877 9.9877 10.0135 10.0135 10.2536 10.2536 10.7445 10.7445 10.9490 10.9490 11.0588 11.0588 11.0697 11.0697 11.2163 11.2163 11.2446 11.2446 11.4233 11.4233 11.7940 11.7940 11.8146 11.8146 11.9661 11.9661 k = 0.1852 0.3208-0.0000 ( 11712 PWs) bands (ev): -80.4421 -80.4421 -80.4417 -80.4417 -46.1131 -46.1131 -46.1129 -46.1129 -44.3810 -44.3810 -44.3808 -44.3808 -44.3711 -44.3711 -44.3710 -44.3710 5.5949 5.5949 7.5401 7.5401 7.9691 7.9691 8.2579 8.2579 8.3781 8.3781 8.5461 8.5461 8.5613 8.5613 8.7360 8.7360 8.8839 8.8839 8.9207 8.9207 8.9959 8.9959 9.7818 9.7818 9.8367 9.8367 9.9307 9.9307 10.0044 10.0044 10.0302 10.0302 10.3136 10.3136 10.7568 10.7568 10.9821 10.9821 11.0470 11.0470 11.1408 11.1408 11.2406 11.2406 11.2702 11.2702 11.3910 11.3910 11.7841 11.7841 11.8215 11.8215 11.9799 11.9799 k = 0.1759 0.3047-0.0000 ( 11710 PWs) bands (ev): -80.4421 -80.4421 -80.4417 -80.4417 -46.1131 -46.1131 -46.1129 -46.1129 -44.3810 -44.3810 -44.3808 -44.3808 -44.3711 -44.3711 -44.3709 -44.3709 5.5221 5.5221 7.5401 7.5401 7.9937 7.9937 8.2367 8.2367 8.3577 8.3577 8.5177 8.5177 8.5187 8.5187 8.6972 8.6972 8.8578 8.8578 8.8846 8.8846 8.9700 8.9700 9.8226 9.8226 9.8690 9.8690 9.9327 9.9327 10.0072 10.0072 10.0597 10.0597 10.3717 10.3717 10.7690 10.7690 11.0155 11.0155 11.0331 11.0331 11.1955 11.1955 11.2678 11.2678 11.3089 11.3089 11.3621 11.3621 11.7756 11.7756 11.8299 11.8299 11.9915 11.9915 k = 0.1667 0.2887-0.0000 ( 11702 PWs) bands (ev): -80.4420 -80.4420 -80.4416 -80.4416 -46.1131 -46.1131 -46.1129 -46.1129 -44.3810 -44.3810 -44.3808 -44.3808 -44.3711 -44.3711 -44.3709 -44.3709 5.4523 5.4523 7.5342 7.5342 8.0130 8.0130 8.2197 8.2197 8.3354 8.3354 8.4778 8.4778 8.4903 8.4903 8.6607 8.6607 8.8344 8.8344 8.8485 8.8485 8.9453 8.9453 9.8620 9.8620 9.8983 9.8983 9.9401 9.9401 10.0088 10.0088 10.0906 10.0906 10.4274 10.4274 10.7806 10.7806 11.0177 11.0177 11.0506 11.0506 11.2279 11.2279 11.2878 11.2878 11.3323 11.3323 11.3783 11.3783 11.7710 11.7710 11.8375 11.8375 12.0010 12.0010 k = 0.1574 0.2726-0.0000 ( 11692 PWs) bands (ev): -80.4421 -80.4421 -80.4413 -80.4413 -46.1131 -46.1131 -46.1128 -46.1128 -44.3811 -44.3811 -44.3808 -44.3808 -44.3711 -44.3711 -44.3708 -44.3708 5.3856 5.3856 7.5231 7.5231 8.0264 8.0264 8.2064 8.2064 8.3116 8.3116 8.4399 8.4399 8.4636 8.4636 8.6269 8.6269 8.8107 8.8107 8.8161 8.8161 8.9213 8.9213 9.8978 9.8978 9.9134 9.9134 9.9633 9.9633 10.0124 10.0124 10.1216 10.1216 10.4805 10.4805 10.7918 10.7918 11.0028 11.0028 11.0855 11.0855 11.2474 11.2474 11.2956 11.2956 11.3182 11.3182 11.4552 11.4552 11.7712 11.7712 11.8440 11.8440 12.0079 12.0079 k = 0.1481 0.2566-0.0000 ( 11704 PWs) bands (ev): -80.4422 -80.4422 -80.4415 -80.4415 -46.1131 -46.1131 -46.1128 -46.1128 -44.3811 -44.3811 -44.3808 -44.3808 -44.3711 -44.3711 -44.3708 -44.3708 5.3221 5.3221 7.5077 7.5077 8.0335 8.0335 8.1960 8.1960 8.2868 8.2868 8.4046 8.4046 8.4376 8.4376 8.5961 8.5961 8.7765 8.7765 8.7972 8.7972 8.8980 8.8980 9.9165 9.9165 9.9289 9.9289 9.9920 9.9920 10.0273 10.0273 10.1521 10.1521 10.5301 10.5301 10.8008 10.8008 10.9882 10.9882 11.1205 11.1205 11.2523 11.2523 11.2935 11.2935 11.3202 11.3202 11.5363 11.5363 11.7763 11.7763 11.8490 11.8490 12.0118 12.0118 k = 0.1389 0.2406-0.0000 ( 11696 PWs) bands (ev): -80.4421 -80.4421 -80.4414 -80.4414 -46.1131 -46.1131 -46.1128 -46.1128 -44.3811 -44.3811 -44.3808 -44.3808 -44.3711 -44.3711 -44.3708 -44.3708 5.2618 5.2618 7.4890 7.4890 8.0342 8.0342 8.1878 8.1878 8.2614 8.2614 8.3725 8.3725 8.4126 8.4126 8.5693 8.5693 8.7424 8.7424 8.7818 8.7818 8.8761 8.8761 9.9173 9.9173 9.9523 9.9523 10.0091 10.0091 10.0654 10.0654 10.1825 10.1825 10.5764 10.5764 10.8084 10.8084 10.9746 10.9746 11.1557 11.1557 11.2401 11.2401 11.3011 11.3011 11.3269 11.3269 11.6164 11.6164 11.7861 11.7861 11.8523 11.8523 12.0127 12.0127 k = 0.1296 0.2245-0.0000 ( 11706 PWs) bands (ev): -80.4421 -80.4421 -80.4416 -80.4416 -46.1131 -46.1131 -46.1128 -46.1128 -44.3811 -44.3811 -44.3808 -44.3808 -44.3711 -44.3711 -44.3709 -44.3709 5.2050 5.2050 7.4681 7.4681 8.0288 8.0288 8.1811 8.1811 8.2358 8.2358 8.3433 8.3433 8.3884 8.3884 8.5465 8.5465 8.7096 8.7096 8.7683 8.7683 8.8549 8.8549 9.9169 9.9169 9.9658 9.9658 10.0273 10.0273 10.1129 10.1129 10.2130 10.2130 10.6189 10.6189 10.8135 10.8135 10.9621 10.9621 11.1883 11.1883 11.2250 11.2250 11.3067 11.3067 11.3379 11.3379 11.6929 11.6929 11.7998 11.7998 11.8538 11.8538 12.0102 12.0102 k = 0.1204 0.2085-0.0000 ( 11710 PWs) bands (ev): -80.4421 -80.4421 -80.4417 -80.4417 -46.1131 -46.1131 -46.1129 -46.1129 -44.3811 -44.3811 -44.3808 -44.3808 -44.3711 -44.3711 -44.3709 -44.3709 5.1516 5.1516 7.4457 7.4457 8.0179 8.0179 8.1754 8.1754 8.2105 8.2105 8.3166 8.3166 8.3651 8.3651 8.5281 8.5281 8.6785 8.6785 8.7568 8.7568 8.8351 8.8351 9.9160 9.9160 9.9713 9.9713 10.0497 10.0497 10.1629 10.1629 10.2441 10.2441 10.6573 10.6573 10.8161 10.8161 10.9513 10.9513 11.1972 11.1972 11.2342 11.2342 11.3051 11.3051 11.3551 11.3551 11.7637 11.7637 11.8157 11.8157 11.8546 11.8546 12.0043 12.0043 k = 0.1111 0.1925-0.0000 ( 11720 PWs) bands (ev): -80.4421 -80.4421 -80.4418 -80.4418 -46.1131 -46.1131 -46.1129 -46.1129 -44.3811 -44.3811 -44.3808 -44.3808 -44.3711 -44.3711 -44.3709 -44.3709 5.1019 5.1019 7.4227 7.4227 8.0028 8.0028 8.1699 8.1699 8.1862 8.1862 8.2921 8.2921 8.3425 8.3425 8.5138 8.5138 8.6495 8.6495 8.7466 8.7466 8.8165 8.8165 9.9148 9.9148 9.9731 9.9731 10.0731 10.0731 10.2132 10.2132 10.2760 10.2760 10.6915 10.6915 10.8161 10.8161 10.9421 10.9421 11.1840 11.1840 11.2659 11.2659 11.3001 11.3001 11.3754 11.3754 11.8241 11.8241 11.8318 11.8318 11.8584 11.8584 11.9947 11.9947 k = 0.1019 0.1764-0.0000 ( 11720 PWs) bands (ev): -80.4421 -80.4421 -80.4418 -80.4418 -46.1131 -46.1131 -46.1129 -46.1129 -44.3811 -44.3811 -44.3808 -44.3808 -44.3711 -44.3711 -44.3709 -44.3709 5.0558 5.0558 7.3998 7.3998 7.9848 7.9848 8.1597 8.1597 8.1680 8.1680 8.2694 8.2694 8.3209 8.3209 8.5031 8.5031 8.6229 8.6229 8.7378 8.7378 8.7993 8.7993 9.9137 9.9137 9.9736 9.9736 10.0959 10.0959 10.2625 10.2625 10.3092 10.3092 10.7213 10.7213 10.8141 10.8141 10.9343 10.9343 11.1709 11.1709 11.2847 11.2847 11.3079 11.3079 11.3973 11.3973 11.8307 11.8307 11.8673 11.8673 11.8873 11.8873 11.9818 11.9818 k = 0.0926 0.1604-0.0000 ( 11714 PWs) bands (ev): -80.4421 -80.4421 -80.4417 -80.4417 -46.1131 -46.1131 -46.1128 -46.1128 -44.3811 -44.3811 -44.3808 -44.3808 -44.3711 -44.3711 -44.3708 -44.3708 5.0134 5.0134 7.3775 7.3775 7.9650 7.9650 8.1385 8.1385 8.1622 8.1622 8.2483 8.2483 8.3002 8.3002 8.4955 8.4955 8.5990 8.5990 8.7301 8.7301 8.7836 8.7836 9.9122 9.9122 9.9728 9.9728 10.1168 10.1168 10.3093 10.3093 10.3450 10.3450 10.7467 10.7467 10.8105 10.8105 10.9275 10.9275 11.1596 11.1596 11.2778 11.2778 11.3406 11.3406 11.4205 11.4205 11.8248 11.8248 11.8878 11.8878 11.9326 11.9326 11.9662 11.9662 k = 0.0833 0.1443-0.0000 ( 11724 PWs) bands (ev): -80.4421 -80.4421 -80.4419 -80.4419 -46.1131 -46.1131 -46.1129 -46.1129 -44.3811 -44.3811 -44.3808 -44.3808 -44.3711 -44.3711 -44.3709 -44.3709 4.9749 4.9749 7.3562 7.3562 7.9447 7.9447 8.1178 8.1178 8.1573 8.1573 8.2289 8.2289 8.2805 8.2805 8.4901 8.4901 8.5777 8.5777 8.7231 8.7231 8.7692 8.7692 9.9108 9.9108 9.9721 9.9721 10.1355 10.1355 10.3514 10.3514 10.3835 10.3835 10.7670 10.7670 10.8061 10.8061 10.9204 10.9204 11.1499 11.1499 11.2681 11.2681 11.3751 11.3751 11.4443 11.4443 11.8147 11.8147 11.9083 11.9083 11.9456 11.9456 11.9733 11.9733 k = 0.0741 0.1283-0.0000 ( 11730 PWs) bands (ev): -80.4422 -80.4422 -80.4420 -80.4420 -46.1131 -46.1131 -46.1129 -46.1129 -44.3811 -44.3811 -44.3809 -44.3809 -44.3711 -44.3711 -44.3709 -44.3709 4.9403 4.9403 7.3364 7.3364 7.9247 7.9247 8.0986 8.0986 8.1527 8.1527 8.2112 8.2112 8.2619 8.2619 8.4860 8.4860 8.5593 8.5593 8.7170 8.7170 8.7564 8.7564 9.9096 9.9096 9.9713 9.9713 10.1518 10.1518 10.3883 10.3883 10.4246 10.4246 10.7812 10.7812 10.8033 10.8033 10.9131 10.9131 11.1421 11.1421 11.2586 11.2586 11.4092 11.4092 11.4692 11.4692 11.8019 11.8019 11.9200 11.9200 11.9339 11.9339 12.0035 12.0035 k = 0.0648 0.1123-0.0000 ( 11736 PWs) bands (ev): -80.4423 -80.4423 -80.4420 -80.4420 -46.1131 -46.1131 -46.1129 -46.1129 -44.3811 -44.3811 -44.3809 -44.3809 -44.3711 -44.3711 -44.3708 -44.3708 4.9096 4.9096 7.3183 7.3183 7.9058 7.9058 8.0813 8.0813 8.1482 8.1482 8.1954 8.1954 8.2448 8.2448 8.4828 8.4828 8.5438 8.5438 8.7116 8.7116 8.7455 8.7455 9.9082 9.9082 9.9703 9.9703 10.1659 10.1659 10.4213 10.4213 10.4659 10.4659 10.7859 10.7859 10.8061 10.8061 10.9052 10.9052 11.1355 11.1355 11.2499 11.2499 11.4428 11.4428 11.4952 11.4952 11.7870 11.7870 11.9003 11.9003 11.9501 11.9501 12.0276 12.0276 k = 0.0556 0.0962-0.0000 ( 11734 PWs) bands (ev): -80.4423 -80.4423 -80.4420 -80.4420 -46.1131 -46.1131 -46.1129 -46.1129 -44.3811 -44.3811 -44.3809 -44.3809 -44.3711 -44.3711 -44.3708 -44.3708 4.8828 4.8828 7.3021 7.3021 7.8886 7.8886 8.0660 8.0660 8.1437 8.1437 8.1819 8.1819 8.2293 8.2293 8.4799 8.4799 8.5314 8.5314 8.7067 8.7067 8.7361 8.7361 9.9071 9.9071 9.9696 9.9696 10.1778 10.1778 10.4514 10.4514 10.5058 10.5058 10.7838 10.7838 10.8126 10.8126 10.8971 10.8971 11.1297 11.1297 11.2424 11.2424 11.4749 11.4749 11.5222 11.5222 11.7703 11.7703 11.8763 11.8763 11.9675 11.9675 12.0458 12.0458 k = 0.0463 0.0802-0.0000 ( 11740 PWs) bands (ev): -80.4423 -80.4423 -80.4421 -80.4421 -46.1131 -46.1131 -46.1129 -46.1129 -44.3811 -44.3811 -44.3809 -44.3809 -44.3711 -44.3711 -44.3709 -44.3709 4.8601 4.8601 7.2882 7.2882 7.8734 7.8734 8.0529 8.0529 8.1392 8.1392 8.1707 8.1707 8.2156 8.2156 8.4771 8.4771 8.5220 8.5220 8.7022 8.7022 8.7284 8.7284 9.9059 9.9059 9.9688 9.9688 10.1877 10.1877 10.4783 10.4783 10.5429 10.5429 10.7802 10.7802 10.8181 10.8181 10.8885 10.8885 11.1245 11.1245 11.2362 11.2362 11.5055 11.5055 11.5501 11.5501 11.7521 11.7521 11.8510 11.8510 11.9831 11.9831 12.0590 12.0590 k = 0.0370 0.0642-0.0000 ( 11746 PWs) bands (ev): -80.4424 -80.4424 -80.4421 -80.4421 -46.1131 -46.1131 -46.1129 -46.1129 -44.3811 -44.3811 -44.3809 -44.3809 -44.3711 -44.3711 -44.3708 -44.3708 4.8415 4.8415 7.2766 7.2766 7.8606 7.8606 8.0420 8.0420 8.1349 8.1349 8.1623 8.1623 8.2039 8.2039 8.4741 8.4741 8.5152 8.5152 8.6982 8.6982 8.7225 8.7225 9.9048 9.9048 9.9680 9.9680 10.1955 10.1955 10.5010 10.5010 10.5766 10.5766 10.7757 10.7757 10.8221 10.8221 10.8796 10.8796 11.1201 11.1201 11.2316 11.2316 11.5346 11.5346 11.5788 11.5788 11.7326 11.7326 11.8248 11.8248 11.9963 11.9963 12.0678 12.0678 k = 0.0278 0.0481-0.0000 ( 11754 PWs) bands (ev): -80.4425 -80.4425 -80.4421 -80.4421 -46.1131 -46.1131 -46.1129 -46.1129 -44.3812 -44.3812 -44.3809 -44.3809 -44.3711 -44.3711 -44.3709 -44.3709 4.8270 4.8270 7.2674 7.2674 7.8504 7.8504 8.0335 8.0335 8.1306 8.1306 8.1564 8.1564 8.1944 8.1944 8.4712 8.4712 8.5108 8.5108 8.6949 8.6949 8.7182 8.7182 9.9039 9.9039 9.9672 9.9672 10.2015 10.2015 10.5191 10.5191 10.6062 10.6062 10.7703 10.7703 10.8258 10.8258 10.8704 10.8704 11.1162 11.1162 11.2283 11.2283 11.5621 11.5621 11.6075 11.6075 11.7124 11.7124 11.7982 11.7982 12.0068 12.0068 12.0727 12.0727 k = 0.0185 0.0321-0.0000 ( 11743 PWs) bands (ev): -80.4423 -80.4423 -80.4420 -80.4420 -46.1131 -46.1131 -46.1129 -46.1129 -44.3811 -44.3811 -44.3809 -44.3809 -44.3711 -44.3711 -44.3708 -44.3708 4.8166 4.8166 7.2609 7.2609 7.8431 7.8431 8.0274 8.0274 8.1272 8.1272 8.1528 8.1528 8.1875 8.1875 8.4690 8.4690 8.5081 8.5081 8.6924 8.6924 8.7154 8.7154 9.9034 9.9034 9.9669 9.9669 10.2058 10.2058 10.5327 10.5327 10.6311 10.6311 10.7640 10.7640 10.8304 10.8304 10.8614 10.8614 11.1135 11.1135 11.2265 11.2265 11.5884 11.5884 11.6343 11.6343 11.6929 11.6929 11.7716 11.7716 12.0145 12.0145 12.0750 12.0750 k = 0.0093 0.0160-0.0000 ( 11739 PWs) bands (ev): -80.4424 -80.4424 -80.4419 -80.4419 -46.1131 -46.1131 -46.1129 -46.1129 -44.3812 -44.3812 -44.3809 -44.3809 -44.3711 -44.3711 -44.3708 -44.3708 4.8104 4.8104 7.2568 7.2568 7.8386 7.8386 8.0237 8.0237 8.1251 8.1251 8.1510 8.1510 8.1831 8.1831 8.4674 8.4674 8.5067 8.5067 8.6910 8.6910 8.7138 8.7138 9.9029 9.9029 9.9665 9.9665 10.2085 10.2085 10.5408 10.5408 10.6483 10.6483 10.7579 10.7579 10.8361 10.8361 10.8524 10.8524 11.1121 11.1121 11.2258 11.2258 11.6131 11.6131 11.6496 11.6496 11.6817 11.6817 11.7472 11.7472 12.0191 12.0192 12.0758 12.0758 k = 0.0000 0.0000 0.0000 ( 11719 PWs) bands (ev): -80.4423 -80.4423 -80.4416 -80.4416 -46.1131 -46.1131 -46.1128 -46.1128 -44.3812 -44.3812 -44.3808 -44.3808 -44.3710 -44.3710 -44.3707 -44.3707 4.8084 4.8084 7.2555 7.2555 7.8371 7.8371 8.0225 8.0225 8.1244 8.1244 8.1505 8.1505 8.1816 8.1816 8.4670 8.4670 8.5063 8.5063 8.6908 8.6908 8.7137 8.7137 9.9031 9.9031 9.9667 9.9667 10.2092 10.2092 10.5437 10.5437 10.6550 10.6550 10.7553 10.7553 10.8418 10.8418 10.8458 10.8458 11.1117 11.1117 11.2257 11.2257 11.6324 11.6324 11.6402 11.6402 11.6875 11.6875 11.7340 11.7340 12.0207 12.0207 12.0759 12.0759 k = 0.0000 0.0000 0.0000 ( 11719 PWs) bands (ev): -80.4423 -80.4423 -80.4416 -80.4416 -46.1131 -46.1131 -46.1128 -46.1128 -44.3812 -44.3812 -44.3808 -44.3808 -44.3710 -44.3710 -44.3707 -44.3707 4.8084 4.8084 7.2555 7.2555 7.8371 7.8371 8.0225 8.0225 8.1244 8.1244 8.1505 8.1505 8.1816 8.1816 8.4670 8.4670 8.5063 8.5063 8.6908 8.6908 8.7137 8.7137 9.9031 9.9031 9.9667 9.9667 10.2092 10.2092 10.5437 10.5437 10.6550 10.6550 10.7553 10.7553 10.8418 10.8418 10.8458 10.8458 11.1117 11.1117 11.2257 11.2257 11.6324 11.6324 11.6402 11.6402 11.6875 11.6875 11.7340 11.7340 12.0207 12.0207 12.0759 12.0759 k = 0.0000 0.0000 0.0188 ( 11737 PWs) bands (ev): -80.4423 -80.4423 -80.4419 -80.4419 -46.1131 -46.1131 -46.1129 -46.1129 -44.3811 -44.3811 -44.3809 -44.3809 -44.3710 -44.3710 -44.3708 -44.3708 4.8105 4.8105 7.2518 7.2518 7.8374 7.8374 8.0144 8.0144 8.1252 8.1252 8.1513 8.1513 8.1967 8.1967 8.4556 8.4556 8.4908 8.4908 8.7072 8.7072 8.7259 8.7259 9.9021 9.9021 9.9656 9.9656 10.2041 10.2041 10.5441 10.5441 10.6553 10.6553 10.7506 10.7506 10.8346 10.8346 10.8466 10.8466 11.1102 11.1102 11.2240 11.2240 11.6335 11.6335 11.6390 11.6390 11.6864 11.6864 11.7173 11.7173 12.0446 12.0446 12.0843 12.0843 k = 0.0000 0.0000 0.0377 ( 11731 PWs) bands (ev): -80.4422 -80.4422 -80.4419 -80.4419 -46.1131 -46.1131 -46.1129 -46.1129 -44.3811 -44.3811 -44.3809 -44.3809 -44.3710 -44.3710 -44.3708 -44.3708 4.8170 4.8170 7.2407 7.2407 7.8381 7.8381 7.9967 7.9967 8.1281 8.1281 8.1543 8.1543 8.2350 8.2350 8.4268 8.4268 8.4551 8.4551 8.7472 8.7472 8.7587 8.7587 9.9008 9.9008 9.9636 9.9636 10.1884 10.1884 10.5457 10.5457 10.6566 10.6566 10.7371 10.7371 10.8173 10.8173 10.8435 10.8435 11.1071 11.1071 11.2205 11.2205 11.6293 11.6293 11.6412 11.6412 11.6829 11.6829 11.6854 11.6854 12.1042 12.1042 12.1090 12.1090 k = 0.0000 0.0000 0.0565 ( 11731 PWs) bands (ev): -80.4422 -80.4422 -80.4419 -80.4419 -46.1131 -46.1131 -46.1129 -46.1129 -44.3811 -44.3811 -44.3809 -44.3809 -44.3710 -44.3710 -44.3708 -44.3708 4.8279 4.8279 7.2232 7.2232 7.8392 7.8392 7.9773 7.9773 8.1328 8.1328 8.1592 8.1592 8.2877 8.2877 8.3892 8.3892 8.4117 8.4117 8.7975 8.7975 8.8030 8.8030 9.8969 9.8969 9.9587 9.9587 10.1628 10.1628 10.5487 10.5487 10.6591 10.6591 10.7160 10.7160 10.7915 10.7915 10.8370 10.8370 11.1024 11.1024 11.2153 11.2153 11.6022 11.6022 11.6448 11.6448 11.6658 11.6658 11.6837 11.6837 12.1484 12.1484 12.1827 12.1827 k = 0.0000 0.0000 0.0753 ( 11731 PWs) bands (ev): -80.4422 -80.4422 -80.4419 -80.4419 -46.1131 -46.1131 -46.1129 -46.1129 -44.3811 -44.3811 -44.3808 -44.3808 -44.3711 -44.3711 -44.3708 -44.3708 4.8430 4.8430 7.2001 7.2001 7.8409 7.8409 7.9599 7.9599 8.1393 8.1393 8.1659 8.1659 8.3481 8.3481 8.3501 8.3501 8.3664 8.3664 8.8525 8.8525 8.8533 8.8533 9.8911 9.8911 9.9513 9.9513 10.1284 10.1284 10.5529 10.5529 10.6626 10.6626 10.6892 10.6892 10.7590 10.7590 10.8277 10.8277 11.0966 11.0966 11.2089 11.2089 11.5573 11.5573 11.6431 11.6431 11.6754 11.6754 11.6814 11.6814 12.2005 12.2005 12.2532 12.2532 k = 0.0000 0.0000 0.0941 ( 11719 PWs) bands (ev): -80.4420 -80.4420 -80.4419 -80.4419 -46.1130 -46.1130 -46.1128 -46.1128 -44.3810 -44.3810 -44.3808 -44.3808 -44.3710 -44.3710 -44.3708 -44.3708 4.8625 4.8625 7.1730 7.1730 7.8426 7.8426 7.9454 7.9454 8.1476 8.1476 8.1746 8.1746 8.3063 8.3063 8.3213 8.3213 8.4197 8.4197 8.9069 8.9069 8.9098 8.9098 9.8831 9.8831 9.9410 9.9410 10.0856 10.0856 10.5589 10.5589 10.6590 10.6590 10.6678 10.6678 10.7220 10.7220 10.8156 10.8156 11.0907 11.0907 11.2024 11.2024 11.5102 11.5102 11.6404 11.6404 11.6783 11.6783 11.6945 11.6945 12.2630 12.2630 12.3196 12.3196 k = 0.0000 0.0000 0.1130 ( 11719 PWs) bands (ev): -80.4420 -80.4420 -80.4418 -80.4418 -46.1130 -46.1130 -46.1128 -46.1128 -44.3810 -44.3810 -44.3808 -44.3808 -44.3710 -44.3710 -44.3708 -44.3708 4.8861 4.8861 7.1429 7.1429 7.8445 7.8445 7.9336 7.9336 8.1575 8.1575 8.1850 8.1850 8.2650 8.2650 8.2774 8.2774 8.4951 8.4951 8.9620 8.9620 8.9681 8.9681 9.8716 9.8716 9.9265 9.9265 10.0360 10.0360 10.5661 10.5661 10.6281 10.6281 10.6740 10.6740 10.6831 10.6831 10.8010 10.8010 11.0845 11.0845 11.1956 11.1956 11.4652 11.4652 11.6373 11.6373 11.6744 11.6744 11.7189 11.7189 12.3340 12.3340 12.3943 12.3943 k = 0.0000 0.0000 0.1318 ( 11731 PWs) bands (ev): -80.4422 -80.4422 -80.4419 -80.4419 -46.1130 -46.1130 -46.1129 -46.1129 -44.3811 -44.3811 -44.3808 -44.3808 -44.3710 -44.3710 -44.3708 -44.3708 4.9140 4.9140 7.1110 7.1110 7.8463 7.8463 7.9240 7.9240 8.1685 8.1685 8.1971 8.1971 8.2256 8.2256 8.2352 8.2352 8.5755 8.5755 9.0175 9.0175 9.0266 9.0266 9.8561 9.8561 9.9071 9.9071 9.9807 9.9807 10.5741 10.5741 10.5995 10.5995 10.6444 10.6444 10.6819 10.6819 10.7831 10.7831 11.0782 11.0782 11.1888 11.1888 11.4231 11.4231 11.6336 11.6336 11.6696 11.6696 11.7482 11.7482 12.4116 12.4116 12.4750 12.4750 k = 0.0000 0.0000 0.1506 ( 11707 PWs) bands (ev): -80.4421 -80.4421 -80.4415 -80.4415 -46.1130 -46.1130 -46.1127 -46.1127 -44.3811 -44.3811 -44.3807 -44.3807 -44.3710 -44.3710 -44.3708 -44.3708 4.9461 4.9461 7.0785 7.0785 7.8479 7.8479 7.9165 7.9165 8.1746 8.1746 8.1947 8.1947 8.1953 8.1953 8.2109 8.2109 8.6600 8.6600 9.0731 9.0731 9.0850 9.0850 9.8364 9.8364 9.8828 9.8828 9.9219 9.9219 10.5687 10.5687 10.5898 10.5898 10.6083 10.6083 10.6915 10.6915 10.7651 10.7651 11.0721 11.0721 11.1820 11.1820 11.3841 11.3841 11.6301 11.6301 11.6647 11.6647 11.7820 11.7820 12.4944 12.4944 12.5589 12.5589 k = 0.0000 0.0000 0.1694 ( 11689 PWs) bands (ev): -80.4420 -80.4420 -80.4413 -80.4413 -46.1130 -46.1130 -46.1127 -46.1127 -44.3810 -44.3810 -44.3807 -44.3807 -44.3710 -44.3710 -44.3707 -44.3707 4.9822 4.9822 7.0460 7.0460 7.8490 7.8490 7.9102 7.9102 8.1471 8.1471 8.1575 8.1575 8.2006 8.2006 8.2261 8.2261 8.7477 8.7477 9.1275 9.1275 9.1422 9.1422 9.8127 9.8127 9.8537 9.8537 9.8602 9.8602 10.5491 10.5491 10.5765 10.5765 10.6014 10.6014 10.7028 10.7028 10.7446 10.7446 11.0661 11.0661 11.1752 11.1752 11.3475 11.3475 11.6253 11.6253 11.6585 11.6585 11.8203 11.8203 12.5809 12.5810 12.6323 12.6323 k = 0.0000 0.0000 0.1883 ( 11701 PWs) bands (ev): -80.4423 -80.4423 -80.4412 -80.4412 -46.1131 -46.1131 -46.1127 -46.1127 -44.3811 -44.3811 -44.3806 -44.3806 -44.3711 -44.3711 -44.3707 -44.3707 5.0223 5.0223 7.0141 7.0141 7.8494 7.8494 7.9045 7.9045 8.1138 8.1138 8.1222 8.1222 8.2155 8.2155 8.2424 8.2424 8.8380 8.8380 9.1802 9.1802 9.1975 9.1975 9.7824 9.7824 9.7974 9.7974 9.8178 9.8178 10.5338 10.5338 10.5496 10.5496 10.6166 10.6166 10.7163 10.7163 10.7226 10.7226 11.0596 11.0596 11.1679 11.1679 11.3134 11.3134 11.6194 11.6194 11.6510 11.6510 11.8632 11.8632 12.6115 12.6115 12.6700 12.6700 k = 0.0000 0.0000 0.2071 ( 11713 PWs) bands (ev): -80.4423 -80.4423 -80.4415 -80.4415 -46.1131 -46.1131 -46.1127 -46.1127 -44.3811 -44.3811 -44.3807 -44.3807 -44.3711 -44.3711 -44.3708 -44.3708 5.0664 5.0664 6.9836 6.9836 7.8485 7.8485 7.8991 7.8991 8.0824 8.0824 8.0893 8.0893 8.2320 8.2320 8.2597 8.2597 8.9303 8.9303 9.2307 9.2307 9.2508 9.2508 9.7338 9.7338 9.7476 9.7476 9.7775 9.7775 10.5248 10.5248 10.5288 10.5288 10.6348 10.6348 10.7006 10.7006 10.7324 10.7324 11.0528 11.0528 11.1603 11.1603 11.2807 11.2807 11.6122 11.6122 11.6422 11.6422 11.9104 11.9104 12.5438 12.5438 12.7545 12.7545 k = 0.0000 0.0000 0.2259 ( 11731 PWs) bands (ev): -80.4424 -80.4424 -80.4418 -80.4418 -46.1131 -46.1131 -46.1128 -46.1128 -44.3811 -44.3811 -44.3808 -44.3808 -44.3711 -44.3711 -44.3708 -44.3708 5.1142 5.1142 6.9546 6.9546 7.8460 7.8460 7.8936 7.8936 8.0533 8.0533 8.0592 8.0592 8.2496 8.2496 8.2779 8.2779 9.0235 9.0235 9.2787 9.2787 9.3015 9.3015 9.6701 9.6701 9.7085 9.7085 9.7332 9.7332 10.5135 10.5135 10.5217 10.5217 10.6556 10.6556 10.6788 10.6788 10.7509 10.7509 11.0464 11.0464 11.1530 11.1530 11.2489 11.2489 11.6042 11.6042 11.6327 11.6327 11.9620 11.9620 12.4695 12.4695 12.7496 12.7496 k = 0.0000 0.0000 0.2448 ( 11731 PWs) bands (ev): -80.4424 -80.4424 -80.4418 -80.4418 -46.1131 -46.1131 -46.1128 -46.1128 -44.3811 -44.3811 -44.3808 -44.3808 -44.3711 -44.3711 -44.3708 -44.3708 5.1659 5.1659 6.9277 6.9277 7.8419 7.8419 7.8877 7.8877 8.0269 8.0269 8.0319 8.0319 8.2677 8.2677 8.2965 8.2965 9.1168 9.1168 9.3236 9.3236 9.3490 9.3490 9.6101 9.6101 9.6662 9.6662 9.6862 9.6862 10.5035 10.5035 10.5242 10.5242 10.6589 10.6589 10.6790 10.6790 10.7719 10.7719 11.0399 11.0399 11.1454 11.1454 11.2189 11.2189 11.5953 11.5953 11.6223 11.6223 12.0180 12.0180 12.3923 12.3923 12.7351 12.7351 k = 0.0000 0.0000 0.2636 ( 11725 PWs) bands (ev): -80.4421 -80.4421 -80.4419 -80.4419 -46.1130 -46.1130 -46.1129 -46.1129 -44.3810 -44.3810 -44.3809 -44.3809 -44.3710 -44.3710 -44.3708 -44.3708 5.2211 5.2211 6.9030 6.9030 7.8356 7.8356 7.8809 7.8809 8.0031 8.0031 8.0073 8.0073 8.2859 8.2859 8.3152 8.3152 9.2090 9.2090 9.3649 9.3649 9.3926 9.3926 9.5534 9.5534 9.6218 9.6218 9.6377 9.6377 10.4980 10.4980 10.5321 10.5321 10.6429 10.6429 10.7051 10.7051 10.7953 10.7953 11.0334 11.0334 11.1379 11.1379 11.1897 11.1897 11.5851 11.5851 11.6107 11.6107 12.0782 12.0782 12.3139 12.3139 12.7204 12.7204 k = 0.0000 0.0000 0.2824 ( 11725 PWs) bands (ev): -80.4421 -80.4421 -80.4419 -80.4419 -46.1130 -46.1130 -46.1129 -46.1129 -44.3810 -44.3810 -44.3809 -44.3809 -44.3710 -44.3710 -44.3708 -44.3708 5.2798 5.2798 6.8807 6.8807 7.8268 7.8268 7.8727 7.8727 7.9821 7.9821 7.9856 7.9856 8.3039 8.3039 8.3337 8.3337 9.2985 9.2985 9.4025 9.4025 9.4305 9.4305 9.5026 9.5026 9.5760 9.5760 9.5885 9.5885 10.4953 10.4953 10.5441 10.5441 10.6309 10.6309 10.7334 10.7334 10.8208 10.8208 11.0271 11.0271 11.1304 11.1304 11.1614 11.1614 11.5742 11.5742 11.5985 11.5985 12.1427 12.1427 12.2353 12.2353 12.7063 12.7063 k = 0.0000 0.0000 0.3012 ( 11713 PWs) bands (ev): -80.4419 -80.4419 -80.4419 -80.4419 -46.1130 -46.1130 -46.1129 -46.1129 -44.3810 -44.3810 -44.3809 -44.3809 -44.3710 -44.3710 -44.3708 -44.3708 5.3419 5.3419 6.8609 6.8609 7.8152 7.8152 7.8627 7.8627 7.9640 7.9640 7.9669 7.9669 8.3211 8.3211 8.3512 8.3512 9.3833 9.3833 9.4361 9.4361 9.4396 9.4396 9.4813 9.4813 9.5312 9.5312 9.5404 9.5404 10.4954 10.4954 10.5603 10.5603 10.6256 10.6256 10.7637 10.7637 10.8483 10.8483 11.0211 11.0211 11.1231 11.1231 11.1338 11.1338 11.5625 11.5625 11.5856 11.5856 12.1576 12.1576 12.2112 12.2112 12.6932 12.6932 k = 0.0000 0.0000 0.3201 ( 11707 PWs) bands (ev): -80.4421 -80.4421 -80.4416 -80.4416 -46.1130 -46.1130 -46.1128 -46.1128 -44.3810 -44.3810 -44.3808 -44.3808 -44.3710 -44.3710 -44.3707 -44.3707 5.4072 5.4072 6.8437 6.8437 7.8005 7.8005 7.8505 7.8505 7.9487 7.9487 7.9511 7.9511 8.3372 8.3372 8.3675 8.3675 9.4034 9.4034 9.4565 9.4565 9.4650 9.4650 9.4918 9.4918 9.4937 9.4937 9.5069 9.5069 10.4979 10.4979 10.5790 10.5790 10.6274 10.6274 10.7950 10.7950 10.8768 10.8768 11.0159 11.0159 11.1073 11.1073 11.1164 11.1164 11.5500 11.5500 11.5721 11.5721 12.0818 12.0818 12.2837 12.2837 12.6818 12.6818 k = 0.0000 0.0000 0.3389 ( 11701 PWs) bands (ev): -80.4420 -80.4420 -80.4416 -80.4416 -46.1130 -46.1130 -46.1128 -46.1128 -44.3810 -44.3810 -44.3808 -44.3808 -44.3710 -44.3710 -44.3707 -44.3707 5.4755 5.4755 6.8291 6.8291 7.7823 7.7823 7.8360 7.8360 7.9363 7.9363 7.9382 7.9382 8.3512 8.3512 8.3816 8.3816 9.3670 9.3670 9.4410 9.4410 9.4488 9.4488 9.4912 9.4912 9.5334 9.5334 9.5349 9.5349 10.5056 10.5056 10.6008 10.6008 10.6370 10.6370 10.8269 10.8269 10.9057 10.9057 11.0107 11.0107 11.0810 11.0810 11.1097 11.1097 11.5368 11.5368 11.5581 11.5581 12.0091 12.0091 12.3600 12.3600 12.6728 12.6728 k = 0.0000 0.0000 0.3577 ( 11677 PWs) bands (ev): -80.4418 -80.4418 -80.4414 -80.4414 -46.1129 -46.1129 -46.1127 -46.1127 -44.3809 -44.3809 -44.3808 -44.3808 -44.3710 -44.3710 -44.3707 -44.3707 5.5467 5.5467 6.8172 6.8172 7.7608 7.7608 7.8187 7.8187 7.9269 7.9269 7.9284 7.9284 8.3626 8.3626 8.3928 8.3928 9.3364 9.3364 9.4042 9.4042 9.4093 9.4093 9.5122 9.5122 9.5565 9.5565 9.5916 9.5916 10.5206 10.5206 10.6252 10.6252 10.6533 10.6533 10.8584 10.8584 10.9342 10.9342 11.0063 11.0063 11.0559 11.0559 11.1036 11.1036 11.5234 11.5234 11.5441 11.5441 11.9408 11.9408 12.4395 12.4395 12.6671 12.6671 k = 0.0000 0.0000 0.3765 ( 11683 PWs) bands (ev): -80.4419 -80.4419 -80.4414 -80.4414 -46.1129 -46.1129 -46.1127 -46.1127 -44.3810 -44.3810 -44.3808 -44.3808 -44.3710 -44.3710 -44.3707 -44.3707 5.6203 5.6203 6.8079 6.8079 7.7360 7.7360 7.7981 7.7981 7.9202 7.9202 7.9214 7.9214 8.3706 8.3706 8.4004 8.4004 9.3114 9.3114 9.3710 9.3710 9.3739 9.3739 9.5289 9.5289 9.5751 9.5751 9.6352 9.6352 10.5441 10.5441 10.6508 10.6508 10.6748 10.6748 10.8883 10.8883 10.9607 10.9607 11.0027 11.0027 11.0316 11.0316 11.0981 11.0981 11.5092 11.5092 11.5294 11.5294 11.8782 11.8782 12.5209 12.5209 12.6653 12.6653 k = 0.0000 0.0000 0.3954 ( 11671 PWs) bands (ev): -80.4417 -80.4417 -80.4414 -80.4414 -46.1129 -46.1129 -46.1127 -46.1127 -44.3809 -44.3809 -44.3808 -44.3808 -44.3709 -44.3709 -44.3707 -44.3707 5.6964 5.6964 6.8011 6.8011 7.7080 7.7080 7.7745 7.7745 7.9164 7.9164 7.9174 7.9174 8.3748 8.3748 8.4037 8.4037 9.2928 9.2928 9.3436 9.3436 9.3443 9.3443 9.5416 9.5416 9.5895 9.5895 9.6646 9.6646 10.5772 10.5772 10.6779 10.6779 10.7020 10.7020 10.9157 10.9157 10.9825 10.9825 11.0004 11.0004 11.0104 11.0104 11.0935 11.0935 11.4950 11.4950 11.5147 11.5147 11.8233 11.8233 12.5998 12.5998 12.6684 12.6684 k = 0.0000 0.0000 0.4142 ( 11671 PWs) bands (ev): -80.4417 -80.4417 -80.4414 -80.4414 -46.1129 -46.1129 -46.1127 -46.1127 -44.3809 -44.3809 -44.3808 -44.3808 -44.3709 -44.3709 -44.3707 -44.3707 5.7745 5.7745 6.7967 6.7967 7.6771 7.6771 7.7469 7.7469 7.9155 7.9155 7.9164 7.9164 8.3745 8.3745 8.4022 8.4022 9.2800 9.2800 9.3209 9.3209 9.3226 9.3226 9.5506 9.5506 9.5997 9.5997 9.6798 9.6798 10.6160 10.6160 10.7057 10.7057 10.7336 10.7336 10.9396 10.9396 10.9793 10.9793 10.9997 10.9997 11.0117 11.0117 11.0900 11.0900 11.4807 11.4807 11.5001 11.5001 11.7781 11.7781 12.6608 12.6608 12.6773 12.6773 k = 0.0000 0.0000 0.4330 ( 11653 PWs) bands (ev): -80.4417 -80.4417 -80.4411 -80.4411 -46.1129 -46.1129 -46.1126 -46.1126 -44.3809 -44.3809 -44.3807 -44.3807 -44.3709 -44.3709 -44.3707 -44.3707 5.8545 5.8545 6.7944 6.7944 7.6440 7.6440 7.7157 7.7157 7.9176 7.9176 7.9184 7.9184 8.3695 8.3695 8.3956 8.3956 9.2730 9.2730 9.3042 9.3042 9.3085 9.3085 9.5563 9.5563 9.6064 9.6064 9.6830 9.6830 10.6574 10.6574 10.7338 10.7338 10.7694 10.7694 10.9591 10.9591 10.9594 10.9594 11.0013 11.0013 11.0266 11.0266 11.0882 11.0882 11.4671 11.4671 11.4860 11.4860 11.7453 11.7453 12.6926 12.6926 12.6966 12.6966 k = 0.0000 0.0000 0.4519 ( 11653 PWs) bands (ev): -80.4417 -80.4417 -80.4411 -80.4411 -46.1129 -46.1129 -46.1126 -46.1126 -44.3809 -44.3809 -44.3807 -44.3807 -44.3709 -44.3709 -44.3707 -44.3707 5.9358 5.9358 6.7939 6.7939 7.6091 7.6091 7.6809 7.6809 7.9224 7.9224 7.9232 7.9232 8.3594 8.3594 8.3837 8.3837 9.2712 9.2712 9.2943 9.2943 9.3013 9.3013 9.5582 9.5582 9.6090 9.6090 9.6767 9.6767 10.6976 10.6976 10.7614 10.7614 10.8077 10.8077 10.9393 10.9393 10.9735 10.9735 11.0055 11.0055 11.0381 11.0381 11.0878 11.0878 11.4525 11.4525 11.4709 11.4709 11.7282 11.7282 12.7150 12.7150 12.7272 12.7272 k = 0.0000 0.0000 0.4707 ( 11677 PWs) bands (ev): -80.4419 -80.4419 -80.4413 -80.4413 -46.1129 -46.1129 -46.1127 -46.1127 -44.3810 -44.3810 -44.3808 -44.3808 -44.3710 -44.3710 -44.3707 -44.3707 6.0181 6.0181 6.7949 6.7949 7.5731 7.5731 7.6427 7.6427 7.9297 7.9297 7.9306 7.9306 8.3445 8.3445 8.3667 8.3667 9.2742 9.2742 9.2905 9.2905 9.3006 9.3006 9.5566 9.5566 9.6078 9.6078 9.6631 9.6631 10.7341 10.7341 10.7875 10.7875 10.8442 10.8442 10.9205 10.9205 10.9825 10.9825 11.0130 11.0130 11.0451 11.0451 11.0891 11.0891 11.4367 11.4367 11.4545 11.4545 11.7302 11.7302 12.7449 12.7449 12.7619 12.7619 k = 0.0000 0.0000 0.4895 ( 11659 PWs) bands (ev): -80.4416 -80.4416 -80.4413 -80.4413 -46.1128 -46.1128 -46.1127 -46.1127 -44.3809 -44.3809 -44.3808 -44.3808 -44.3709 -44.3709 -44.3707 -44.3707 6.1009 6.1009 6.7969 6.7969 7.5367 7.5367 7.6016 7.6016 7.9399 7.9399 7.9410 7.9410 8.3256 8.3256 8.3457 8.3457 9.2814 9.2814 9.2933 9.2933 9.3063 9.3063 9.5525 9.5525 9.6037 9.6037 9.6450 9.6450 10.7675 10.7675 10.8123 10.8123 10.8753 10.8753 10.9032 10.9032 10.9869 10.9869 11.0247 11.0247 11.0476 11.0476 11.0933 11.0933 11.4207 11.4207 11.4376 11.4376 11.7541 11.7541 12.7823 12.7823 12.8029 12.8029 k = 0.0000 0.0000 0.5083 ( 11659 PWs) bands (ev): -80.4416 -80.4416 -80.4413 -80.4413 -46.1128 -46.1128 -46.1127 -46.1127 -44.3809 -44.3809 -44.3808 -44.3808 -44.3709 -44.3709 -44.3707 -44.3707 6.1837 6.1837 6.7989 6.7989 7.5007 7.5007 7.5585 7.5585 7.9527 7.9527 7.9541 7.9541 8.3031 8.3031 8.3209 8.3209 9.2925 9.2925 9.3011 9.3011 9.3172 9.3172 9.5453 9.5453 9.5962 9.5962 9.6233 9.6233 10.7965 10.7965 10.8342 10.8342 10.8880 10.8880 10.8975 10.8975 10.9874 10.9874 11.0401 11.0401 11.0459 11.0459 11.1001 11.1001 11.4032 11.4032 11.4192 11.4192 11.8002 11.8002 12.8271 12.8271 12.8508 12.8508 k = 0.0000 0.0000 0.5272 ( 11665 PWs) bands (ev): -80.4416 -80.4416 -80.4414 -80.4414 -46.1129 -46.1129 -46.1127 -46.1127 -44.3809 -44.3809 -44.3809 -44.3809 -44.3709 -44.3709 -44.3707 -44.3707 6.2658 6.2658 6.7998 6.7998 7.4658 7.4658 7.5143 7.5143 7.9679 7.9679 7.9697 7.9697 8.2776 8.2776 8.2934 8.2934 9.3068 9.3068 9.3132 9.3132 9.3322 9.3322 9.5353 9.5353 9.5857 9.5857 9.5993 9.5993 10.8209 10.8209 10.8532 10.8532 10.8749 10.8749 10.9113 10.9113 10.9846 10.9846 11.0408 11.0408 11.0597 11.0597 11.1102 11.1102 11.3840 11.3840 11.3987 11.3987 11.8673 11.8673 12.8787 12.8787 12.9050 12.9050 k = 0.0000 0.0000 0.5460 ( 11641 PWs) bands (ev): -80.4413 -80.4413 -80.4412 -80.4412 -46.1128 -46.1128 -46.1127 -46.1127 -44.3808 -44.3808 -44.3808 -44.3808 -44.3708 -44.3708 -44.3707 -44.3707 6.3465 6.3465 6.7984 6.7984 7.4330 7.4330 7.4709 7.4709 7.9858 7.9858 7.9880 7.9880 8.2504 8.2504 8.2642 8.2642 9.3238 9.3238 9.3292 9.3292 9.3508 9.3508 9.5230 9.5230 9.5726 9.5726 9.5745 9.5745 10.8401 10.8401 10.8643 10.8643 10.8698 10.8698 10.9202 10.9202 10.9790 10.9790 11.0331 11.0331 11.0841 11.0841 11.1243 11.1243 11.3634 11.3634 11.3767 11.3767 11.9519 11.9519 12.9365 12.9365 12.9639 12.9639 k = 0.0000 0.0000 0.5648 ( 11629 PWs) bands (ev): -80.4412 -80.4412 -80.4411 -80.4411 -46.1127 -46.1127 -46.1127 -46.1127 -44.3808 -44.3808 -44.3808 -44.3808 -44.3707 -44.3707 -44.3707 -44.3707 6.4246 6.4246 6.7926 6.7926 7.4034 7.4034 7.4302 7.4302 8.0057 8.0057 8.0085 8.0085 8.2216 8.2216 8.2335 8.2335 9.3436 9.3436 9.3477 9.3477 9.3715 9.3715 9.5085 9.5085 9.5492 9.5492 9.5573 9.5573 10.8518 10.8518 10.8563 10.8563 10.8840 10.8840 10.9280 10.9280 10.9714 10.9714 11.0235 11.0235 11.1113 11.1113 11.1415 11.1415 11.3404 11.3404 11.3518 11.3518 12.0504 12.0504 12.9995 12.9995 13.0055 13.0055 k = 0.0000 0.0000 0.5836 ( 11635 PWs) bands (ev): -80.4413 -80.4413 -80.4411 -80.4411 -46.1127 -46.1127 -46.1127 -46.1127 -44.3809 -44.3809 -44.3808 -44.3808 -44.3707 -44.3707 -44.3707 -44.3707 6.4990 6.4990 6.7801 6.7801 7.3780 7.3780 7.3948 7.3948 8.0277 8.0277 8.0312 8.0312 8.1921 8.1921 8.2023 8.2023 9.3643 9.3643 9.3679 9.3679 9.3931 9.3931 9.4917 9.4917 9.5242 9.5242 9.5396 9.5396 10.8508 10.8508 10.8560 10.8560 10.8966 10.8966 10.9377 10.9377 10.9622 10.9622 11.0123 11.0123 11.1408 11.1408 11.1619 11.1619 11.3156 11.3156 11.3247 11.3247 12.1593 12.1593 12.9028 12.9028 13.0666 13.0666 k = 0.0000 0.0000 0.6025 ( 11636 PWs) bands (ev): -80.4413 -80.4413 -80.4411 -80.4411 -46.1127 -46.1127 -46.1127 -46.1127 -44.3809 -44.3809 -44.3808 -44.3808 -44.3707 -44.3707 -44.3707 -44.3707 6.5682 6.5682 6.7588 6.7588 7.3584 7.3584 7.3673 7.3673 8.0517 8.0517 8.0560 8.0560 8.1625 8.1625 8.1712 8.1712 9.3861 9.3861 9.3892 9.3892 9.4141 9.4141 9.4732 9.4732 9.5008 9.5008 9.5205 9.5205 10.8478 10.8478 10.8551 10.8551 10.9084 10.9084 10.9494 10.9494 10.9521 10.9521 11.0003 11.0003 11.1719 11.1719 11.1850 11.1850 11.2898 11.2898 11.2962 11.2962 12.2756 12.2756 12.7770 12.7770 13.1367 13.1368 k = 0.0000 0.0000 0.6213 ( 11648 PWs) bands (ev): -80.4414 -80.4414 -80.4413 -80.4413 -46.1128 -46.1128 -46.1127 -46.1127 -44.3809 -44.3809 -44.3809 -44.3809 -44.3707 -44.3707 -44.3707 -44.3707 6.6305 6.6305 6.7269 6.7269 7.3461 7.3461 7.3497 7.3497 8.0775 8.0775 8.0826 8.0826 8.1332 8.1332 8.1405 8.1405 9.4077 9.4077 9.4108 9.4108 9.4290 9.4290 9.4532 9.4532 9.4834 9.4834 9.5010 9.5010 10.8474 10.8474 10.8520 10.8520 10.9195 10.9195 10.9414 10.9414 10.9619 10.9619 10.9878 10.9878 11.2032 11.2032 11.2099 11.2099 11.2631 11.2631 11.2661 11.2661 12.3973 12.3973 12.6495 12.6495 13.2085 13.2085 k = 0.0000 0.0000 0.6401 ( 11642 PWs) bands (ev): -80.4413 -80.4413 -80.4413 -80.4413 -46.1127 -46.1127 -46.1127 -46.1127 -44.3809 -44.3809 -44.3809 -44.3809 -44.3707 -44.3707 -44.3707 -44.3707 6.6839 6.6839 6.6839 6.6839 7.3427 7.3427 7.3427 7.3427 8.1047 8.1047 8.1047 8.1047 8.1109 8.1109 8.1109 8.1109 9.4260 9.4260 9.4260 9.4260 9.4325 9.4325 9.4325 9.4325 9.4850 9.4850 9.4850 9.4850 10.8490 10.8490 10.8490 10.8490 10.9307 10.9307 10.9307 10.9307 10.9750 10.9750 10.9750 10.9750 11.2349 11.2349 11.2349 11.2349 11.2362 11.2362 11.2362 11.2362 12.5224 12.5224 12.5224 12.5224 13.2807 13.2807 k = 0.0000 0.0000 0.6401 ( 11642 PWs) bands (ev): -80.4413 -80.4413 -80.4413 -80.4413 -46.1127 -46.1127 -46.1127 -46.1127 -44.3809 -44.3809 -44.3809 -44.3809 -44.3707 -44.3707 -44.3707 -44.3707 6.6839 6.6839 6.6839 6.6839 7.3427 7.3427 7.3427 7.3427 8.1047 8.1047 8.1047 8.1047 8.1109 8.1109 8.1109 8.1109 9.4260 9.4260 9.4260 9.4260 9.4325 9.4325 9.4325 9.4325 9.4850 9.4850 9.4850 9.4850 10.8490 10.8490 10.8490 10.8490 10.9307 10.9307 10.9307 10.9307 10.9750 10.9750 10.9750 10.9750 11.2349 11.2349 11.2349 11.2349 11.2362 11.2362 11.2362 11.2362 12.5224 12.5224 12.5224 12.5224 13.2807 13.2807 k = 0.0161 0.0093 0.6401 ( 11650 PWs) bands (ev): -80.4414 -80.4414 -80.4414 -80.4414 -46.1128 -46.1128 -46.1128 -46.1128 -44.3809 -44.3809 -44.3809 -44.3809 -44.3707 -44.3707 -44.3707 -44.3707 6.6856 6.6856 6.6856 6.6856 7.3444 7.3444 7.3444 7.3444 8.1057 8.1057 8.1057 8.1057 8.1119 8.1119 8.1119 8.1119 9.4263 9.4263 9.4263 9.4263 9.4329 9.4329 9.4329 9.4329 9.4854 9.4854 9.4854 9.4854 10.8416 10.8416 10.8416 10.8416 10.9324 10.9324 10.9324 10.9324 10.9782 10.9782 10.9782 10.9782 11.2335 11.2335 11.2335 11.2335 11.2382 11.2382 11.2382 11.2382 12.5218 12.5218 12.5218 12.5218 13.2699 13.2699 k = 0.0323 0.0186 0.6401 ( 11656 PWs) bands (ev): -80.4414 -80.4414 -80.4414 -80.4414 -46.1128 -46.1128 -46.1128 -46.1128 -44.3809 -44.3809 -44.3809 -44.3809 -44.3708 -44.3708 -44.3708 -44.3708 6.6906 6.6906 6.6906 6.6906 7.3495 7.3495 7.3495 7.3495 8.1082 8.1082 8.1082 8.1082 8.1151 8.1151 8.1151 8.1151 9.4279 9.4279 9.4279 9.4279 9.4345 9.4345 9.4345 9.4345 9.4871 9.4871 9.4871 9.4871 10.8225 10.8225 10.8225 10.8225 10.9359 10.9359 10.9359 10.9359 10.9867 10.9867 10.9867 10.9867 11.2307 11.2307 11.2307 11.2307 11.2419 11.2419 11.2419 11.2419 12.5200 12.5200 12.5200 12.5200 13.2381 13.2381 k = 0.0484 0.0279 0.6401 ( 11660 PWs) bands (ev): -80.4415 -80.4415 -80.4415 -80.4415 -46.1128 -46.1128 -46.1128 -46.1128 -44.3809 -44.3809 -44.3809 -44.3809 -44.3708 -44.3708 -44.3708 -44.3708 6.6991 6.6991 6.6991 6.6991 7.3578 7.3578 7.3578 7.3578 8.1118 8.1118 8.1118 8.1118 8.1211 8.1211 8.1211 8.1211 9.4305 9.4305 9.4305 9.4305 9.4375 9.4375 9.4375 9.4375 9.4901 9.4901 9.4901 9.4901 10.7963 10.7963 10.7963 10.7963 10.9393 10.9393 10.9393 10.9393 10.9975 10.9975 10.9975 10.9975 11.2270 11.2270 11.2270 11.2270 11.2476 11.2476 11.2476 11.2476 12.5164 12.5164 12.5164 12.5164 13.1873 13.1873 k = 0.0645 0.0372 0.6401 ( 11662 PWs) bands (ev): -80.4415 -80.4415 -80.4415 -80.4415 -46.1128 -46.1128 -46.1128 -46.1128 -44.3809 -44.3809 -44.3809 -44.3809 -44.3708 -44.3708 -44.3708 -44.3708 6.7108 6.7108 6.7108 6.7108 7.3695 7.3695 7.3695 7.3695 8.1164 8.1164 8.1164 8.1164 8.1299 8.1299 8.1299 8.1299 9.4340 9.4340 9.4340 9.4340 9.4416 9.4416 9.4416 9.4416 9.4942 9.4942 9.4942 9.4942 10.7660 10.7660 10.7660 10.7660 10.9421 10.9421 10.9421 10.9421 11.0078 11.0078 11.0078 11.0078 11.2229 11.2229 11.2229 11.2229 11.2556 11.2556 11.2556 11.2556 12.5101 12.5101 12.5101 12.5101 13.1208 13.1208 k = 0.0806 0.0466 0.6401 ( 11660 PWs) bands (ev): -80.4414 -80.4414 -80.4414 -80.4414 -46.1128 -46.1128 -46.1128 -46.1128 -44.3809 -44.3809 -44.3809 -44.3809 -44.3708 -44.3708 -44.3708 -44.3708 6.7259 6.7259 6.7259 6.7259 7.3844 7.3844 7.3844 7.3844 8.1219 8.1219 8.1219 8.1219 8.1416 8.1416 8.1416 8.1416 9.4384 9.4384 9.4384 9.4384 9.4469 9.4469 9.4469 9.4469 9.4995 9.4995 9.4995 9.4995 10.7328 10.7328 10.7328 10.7328 10.9446 10.9446 10.9446 10.9446 11.0156 11.0156 11.0156 11.0156 11.2189 11.2189 11.2189 11.2189 11.2660 11.2660 11.2660 11.2660 12.4997 12.4997 12.4997 12.4997 13.0428 13.0428 k = 0.0968 0.0559 0.6401 ( 11656 PWs) bands (ev): -80.4414 -80.4414 -80.4414 -80.4414 -46.1128 -46.1128 -46.1128 -46.1128 -44.3809 -44.3809 -44.3809 -44.3809 -44.3708 -44.3708 -44.3708 -44.3708 6.7442 6.7442 6.7442 6.7442 7.4024 7.4024 7.4024 7.4024 8.1285 8.1285 8.1285 8.1285 8.1559 8.1559 8.1559 8.1559 9.4437 9.4437 9.4437 9.4437 9.4535 9.4535 9.4535 9.4535 9.5060 9.5060 9.5060 9.5060 10.6975 10.6975 10.6975 10.6975 10.9463 10.9463 10.9463 10.9463 11.0199 11.0199 11.0199 11.0199 11.2151 11.2151 11.2151 11.2151 11.2790 11.2790 11.2790 11.2790 12.4832 12.4832 12.4832 12.4832 12.9567 12.9567 k = 0.1129 0.0652 0.6401 ( 11662 PWs) bands (ev): -80.4415 -80.4415 -80.4415 -80.4415 -46.1128 -46.1128 -46.1128 -46.1128 -44.3809 -44.3809 -44.3809 -44.3809 -44.3708 -44.3708 -44.3708 -44.3708 6.7656 6.7656 6.7656 6.7656 7.4234 7.4234 7.4234 7.4234 8.1361 8.1361 8.1361 8.1361 8.1729 8.1729 8.1729 8.1729 9.4493 9.4493 9.4493 9.4493 9.4610 9.4610 9.4610 9.4610 9.5133 9.5133 9.5133 9.5133 10.6605 10.6605 10.6605 10.6605 10.9470 10.9470 10.9470 10.9470 11.0200 11.0200 11.0200 11.0200 11.2122 11.2122 11.2122 11.2122 11.2950 11.2950 11.2950 11.2950 12.4580 12.4580 12.4580 12.4580 12.8654 12.8654 k = 0.1290 0.0745 0.6401 ( 11672 PWs) bands (ev): -80.4416 -80.4416 -80.4416 -80.4416 -46.1128 -46.1128 -46.1128 -46.1128 -44.3809 -44.3809 -44.3809 -44.3809 -44.3708 -44.3708 -44.3708 -44.3708 6.7902 6.7902 6.7902 6.7902 7.4473 7.4473 7.4473 7.4473 8.1448 8.1448 8.1448 8.1448 8.1922 8.1922 8.1922 8.1922 9.4556 9.4556 9.4556 9.4556 9.4695 9.4695 9.4695 9.4695 9.5217 9.5217 9.5217 9.5217 10.6224 10.6224 10.6224 10.6224 10.9460 10.9460 10.9460 10.9460 11.0163 11.0163 11.0163 11.0163 11.2102 11.2102 11.2102 11.2102 11.3137 11.3137 11.3137 11.3137 12.4218 12.4218 12.4218 12.4218 12.7707 12.7707 k = 0.1452 0.0838 0.6401 ( 11674 PWs) bands (ev): -80.4416 -80.4416 -80.4416 -80.4416 -46.1128 -46.1128 -46.1128 -46.1128 -44.3809 -44.3809 -44.3809 -44.3809 -44.3709 -44.3709 -44.3709 -44.3709 6.8177 6.8177 6.8177 6.8177 7.4739 7.4739 7.4739 7.4739 8.1545 8.1545 8.1545 8.1545 8.2139 8.2139 8.2139 8.2139 9.4624 9.4624 9.4624 9.4624 9.4792 9.4792 9.4792 9.4792 9.5312 9.5312 9.5312 9.5312 10.5834 10.5834 10.5834 10.5834 10.9422 10.9422 10.9422 10.9422 11.0098 11.0098 11.0098 11.0098 11.2092 11.2092 11.2092 11.2092 11.3356 11.3356 11.3356 11.3356 12.3729 12.3729 12.3729 12.3729 12.6742 12.6742 k = 0.1613 0.0931 0.6401 ( 11682 PWs) bands (ev): -80.4416 -80.4416 -80.4416 -80.4416 -46.1129 -46.1129 -46.1129 -46.1129 -44.3809 -44.3809 -44.3809 -44.3809 -44.3709 -44.3709 -44.3709 -44.3709 6.8480 6.8480 6.8480 6.8480 7.5031 7.5031 7.5031 7.5031 8.1652 8.1652 8.1652 8.1652 8.2378 8.2378 8.2378 8.2378 9.4696 9.4696 9.4696 9.4696 9.4897 9.4897 9.4897 9.4897 9.5415 9.5415 9.5415 9.5415 10.5437 10.5437 10.5437 10.5437 10.9341 10.9341 10.9341 10.9341 11.0023 11.0023 11.0023 11.0023 11.2084 11.2084 11.2084 11.2084 11.3604 11.3604 11.3604 11.3604 12.3116 12.3116 12.3116 12.3116 12.5769 12.5769 k = 0.1774 0.1024 0.6401 ( 11674 PWs) bands (ev): -80.4416 -80.4416 -80.4416 -80.4416 -46.1128 -46.1128 -46.1128 -46.1128 -44.3809 -44.3809 -44.3809 -44.3809 -44.3709 -44.3709 -44.3709 -44.3709 6.8811 6.8811 6.8811 6.8811 7.5345 7.5345 7.5345 7.5345 8.1770 8.1770 8.1770 8.1770 8.2637 8.2637 8.2637 8.2637 9.4772 9.4772 9.4772 9.4772 9.5013 9.5013 9.5013 9.5013 9.5530 9.5530 9.5530 9.5530 10.5036 10.5036 10.5036 10.5036 10.9207 10.9207 10.9207 10.9207 10.9955 10.9955 10.9955 10.9955 11.2078 11.2078 11.2078 11.2078 11.3883 11.3883 11.3883 11.3883 12.2401 12.2401 12.2401 12.2401 12.4798 12.4798 k = 0.1935 0.1117 0.6401 ( 11670 PWs) bands (ev): -80.4415 -80.4415 -80.4415 -80.4415 -46.1128 -46.1128 -46.1128 -46.1128 -44.3809 -44.3809 -44.3809 -44.3809 -44.3709 -44.3709 -44.3709 -44.3709 6.9168 6.9168 6.9168 6.9168 7.5680 7.5680 7.5680 7.5680 8.1898 8.1898 8.1898 8.1898 8.2916 8.2916 8.2916 8.2916 9.4850 9.4850 9.4850 9.4850 9.5135 9.5135 9.5135 9.5135 9.5652 9.5652 9.5652 9.5652 10.4632 10.4632 10.4632 10.4632 10.9018 10.9018 10.9018 10.9018 10.9901 10.9901 10.9901 10.9901 11.2063 11.2063 11.2063 11.2063 11.4191 11.4191 11.4191 11.4191 12.1614 12.1614 12.1614 12.1614 12.3837 12.3837 k = 0.2097 0.1211 0.6401 ( 11672 PWs) bands (ev): -80.4415 -80.4415 -80.4415 -80.4415 -46.1128 -46.1128 -46.1128 -46.1128 -44.3809 -44.3809 -44.3809 -44.3809 -44.3709 -44.3709 -44.3709 -44.3709 6.9549 6.9549 6.9549 6.9549 7.6032 7.6032 7.6032 7.6032 8.2035 8.2035 8.2035 8.2035 8.3212 8.3212 8.3212 8.3212 9.4927 9.4927 9.4927 9.4927 9.5263 9.5263 9.5263 9.5263 9.5781 9.5781 9.5781 9.5781 10.4227 10.4227 10.4227 10.4227 10.8784 10.8784 10.8784 10.8784 10.9857 10.9857 10.9857 10.9857 11.2032 11.2032 11.2032 11.2032 11.4520 11.4520 11.4520 11.4520 12.0789 12.0789 12.0789 12.0789 12.2896 12.2896 k = 0.2258 0.1304 0.6401 ( 11670 PWs) bands (ev): -80.4415 -80.4415 -80.4415 -80.4415 -46.1128 -46.1128 -46.1128 -46.1128 -44.3809 -44.3809 -44.3809 -44.3809 -44.3709 -44.3709 -44.3709 -44.3709 6.9952 6.9952 6.9952 6.9952 7.6398 7.6398 7.6398 7.6398 8.2182 8.2182 8.2182 8.2182 8.3523 8.3523 8.3523 8.3523 9.5004 9.5004 9.5004 9.5004 9.5395 9.5395 9.5395 9.5395 9.5917 9.5917 9.5917 9.5917 10.3823 10.3823 10.3823 10.3823 10.8518 10.8518 10.8518 10.8518 10.9816 10.9816 10.9816 10.9816 11.1980 11.1980 11.1980 11.1980 11.4870 11.4870 11.4870 11.4870 11.9954 11.9954 11.9954 11.9954 12.1983 12.1983 k = 0.2419 0.1397 0.6401 ( 11678 PWs) bands (ev): -80.4416 -80.4416 -80.4416 -80.4416 -46.1129 -46.1129 -46.1129 -46.1129 -44.3809 -44.3809 -44.3809 -44.3809 -44.3709 -44.3709 -44.3709 -44.3709 7.0375 7.0375 7.0375 7.0375 7.6774 7.6774 7.6774 7.6774 8.2338 8.2338 8.2338 8.2338 8.3846 8.3846 8.3846 8.3846 9.5076 9.5076 9.5076 9.5076 9.5531 9.5531 9.5531 9.5531 9.6058 9.6058 9.6058 9.6058 10.3419 10.3419 10.3419 10.3419 10.8230 10.8230 10.8230 10.8230 10.9770 10.9770 10.9770 10.9770 11.1902 11.1902 11.1902 11.1902 11.5225 11.5225 11.5225 11.5225 11.9134 11.9134 11.9134 11.9134 12.1113 12.1113 k = 0.2581 0.1490 0.6401 ( 11686 PWs) bands (ev): -80.4417 -80.4417 -80.4417 -80.4417 -46.1129 -46.1129 -46.1129 -46.1129 -44.3809 -44.3809 -44.3809 -44.3809 -44.3709 -44.3709 -44.3709 -44.3709 7.0815 7.0815 7.0815 7.0815 7.7155 7.7155 7.7155 7.7155 8.2503 8.2503 8.2503 8.2503 8.4181 8.4181 8.4181 8.4181 9.5145 9.5145 9.5145 9.5145 9.5669 9.5669 9.5669 9.5669 9.6204 9.6204 9.6204 9.6204 10.3017 10.3017 10.3017 10.3017 10.7929 10.7929 10.7929 10.7929 10.9719 10.9719 10.9719 10.9719 11.1787 11.1787 11.1787 11.1787 11.5570 11.5570 11.5570 11.5570 11.8353 11.8353 11.8353 11.8353 12.0307 12.0307 k = 0.2742 0.1583 0.6401 ( 11682 PWs) bands (ev): -80.4416 -80.4416 -80.4416 -80.4416 -46.1129 -46.1129 -46.1129 -46.1129 -44.3809 -44.3809 -44.3809 -44.3809 -44.3709 -44.3709 -44.3709 -44.3709 7.1270 7.1270 7.1270 7.1270 7.7536 7.7536 7.7536 7.7536 8.2678 8.2678 8.2678 8.2678 8.4524 8.4524 8.4524 8.4524 9.5208 9.5208 9.5208 9.5208 9.5809 9.5809 9.5809 9.5809 9.6356 9.6356 9.6356 9.6356 10.2617 10.2617 10.2617 10.2617 10.7624 10.7624 10.7624 10.7624 10.9660 10.9660 10.9660 10.9660 11.1632 11.1632 11.1632 11.1632 11.5866 11.5866 11.5866 11.5866 11.7634 11.7634 11.7634 11.7634 11.9605 11.9605 k = 0.2903 0.1676 0.6401 ( 11702 PWs) bands (ev): -80.4418 -80.4418 -80.4418 -80.4418 -46.1129 -46.1129 -46.1129 -46.1129 -44.3809 -44.3809 -44.3809 -44.3809 -44.3710 -44.3710 -44.3710 -44.3710 7.1736 7.1736 7.1736 7.1736 7.7912 7.7912 7.7912 7.7912 8.2859 8.2859 8.2859 8.2859 8.4871 8.4871 8.4871 8.4871 9.5265 9.5265 9.5265 9.5265 9.5945 9.5945 9.5945 9.5945 9.6506 9.6506 9.6506 9.6506 10.2217 10.2217 10.2217 10.2217 10.7318 10.7318 10.7318 10.7318 10.9586 10.9586 10.9586 10.9586 11.1423 11.1423 11.1423 11.1423 11.6031 11.6031 11.6031 11.6031 11.7002 11.7002 11.7002 11.7002 11.9081 11.9081 k = 0.3065 0.1769 0.6401 ( 11702 PWs) bands (ev): -80.4418 -80.4418 -80.4418 -80.4418 -46.1129 -46.1129 -46.1129 -46.1129 -44.3809 -44.3809 -44.3809 -44.3809 -44.3710 -44.3710 -44.3710 -44.3710 7.2210 7.2210 7.2210 7.2210 7.8277 7.8277 7.8277 7.8277 8.3050 8.3050 8.3050 8.3050 8.5221 8.5221 8.5221 8.5221 9.5315 9.5315 9.5315 9.5315 9.6082 9.6082 9.6082 9.6082 9.6663 9.6663 9.6663 9.6663 10.1822 10.1822 10.1822 10.1822 10.7021 10.7021 10.7021 10.7021 10.9498 10.9498 10.9498 10.9498 11.1162 11.1162 11.1162 11.1162 11.5954 11.5954 11.5954 11.5954 11.6483 11.6483 11.6483 11.6483 11.8842 11.8842 k = 0.3226 0.1862 0.6401 ( 11710 PWs) bands (ev): -80.4419 -80.4419 -80.4419 -80.4419 -46.1130 -46.1130 -46.1130 -46.1130 -44.3810 -44.3810 -44.3810 -44.3810 -44.3710 -44.3710 -44.3710 -44.3710 7.2688 7.2688 7.2688 7.2688 7.8624 7.8624 7.8624 7.8624 8.3247 8.3247 8.3247 8.3247 8.5568 8.5568 8.5568 8.5568 9.5357 9.5357 9.5357 9.5357 9.6215 9.6215 9.6215 9.6215 9.6819 9.6819 9.6819 9.6819 10.1428 10.1428 10.1428 10.1428 10.6736 10.6736 10.6736 10.6736 10.9393 10.9393 10.9393 10.9393 11.0845 11.0845 11.0845 11.0845 11.5632 11.5632 11.5632 11.5632 11.6056 11.6056 11.6056 11.6056 11.8919 11.8919 k = 0.3387 0.1956 0.6401 ( 11710 PWs) bands (ev): -80.4419 -80.4419 -80.4419 -80.4419 -46.1130 -46.1130 -46.1130 -46.1130 -44.3810 -44.3810 -44.3810 -44.3810 -44.3710 -44.3710 -44.3710 -44.3710 7.3165 7.3165 7.3165 7.3165 7.8949 7.8949 7.8949 7.8949 8.3451 8.3451 8.3451 8.3451 8.5909 8.5909 8.5909 8.5909 9.5391 9.5391 9.5391 9.5391 9.6347 9.6347 9.6347 9.6347 9.6976 9.6976 9.6976 9.6976 10.1041 10.1041 10.1041 10.1041 10.6468 10.6468 10.6468 10.6468 10.9268 10.9268 10.9268 10.9268 11.0484 11.0484 11.0484 11.0484 11.5209 11.5209 11.5209 11.5209 11.5678 11.5678 11.5678 11.5678 11.9213 11.9213 k = 0.3548 0.2049 0.6401 ( 11712 PWs) bands (ev): -80.4419 -80.4419 -80.4419 -80.4419 -46.1130 -46.1130 -46.1130 -46.1130 -44.3810 -44.3810 -44.3810 -44.3810 -44.3710 -44.3710 -44.3710 -44.3710 7.3635 7.3635 7.3635 7.3635 7.9244 7.9244 7.9244 7.9244 8.3659 8.3659 8.3659 8.3659 8.6239 8.6239 8.6239 8.6239 9.5417 9.5417 9.5417 9.5417 9.6473 9.6473 9.6473 9.6473 9.7129 9.7129 9.7129 9.7129 10.0659 10.0659 10.0659 10.0659 10.6220 10.6220 10.6220 10.6220 10.9122 10.9122 10.9122 10.9122 11.0093 11.0093 11.0093 11.0093 11.4754 11.4754 11.4754 11.4754 11.5376 11.5376 11.5376 11.5376 11.9618 11.9618 k = 0.3710 0.2142 0.6401 ( 11700 PWs) bands (ev): -80.4418 -80.4418 -80.4418 -80.4418 -46.1129 -46.1129 -46.1129 -46.1129 -44.3809 -44.3809 -44.3809 -44.3809 -44.3710 -44.3710 -44.3710 -44.3710 7.4093 7.4093 7.4093 7.4093 7.9507 7.9507 7.9507 7.9507 8.3868 8.3868 8.3868 8.3868 8.6554 8.6554 8.6554 8.6554 9.5437 9.5437 9.5437 9.5437 9.6599 9.6599 9.6599 9.6599 9.7283 9.7283 9.7283 9.7283 10.0288 10.0288 10.0288 10.0288 10.5995 10.5995 10.5995 10.5995 10.8956 10.8956 10.8956 10.8956 10.9694 10.9694 10.9694 10.9694 11.4304 11.4304 11.4304 11.4304 11.5161 11.5161 11.5161 11.5161 12.0072 12.0072 k = 0.3871 0.2235 0.6401 ( 11690 PWs) bands (ev): -80.4417 -80.4417 -80.4417 -80.4417 -46.1129 -46.1129 -46.1129 -46.1129 -44.3809 -44.3809 -44.3809 -44.3809 -44.3710 -44.3710 -44.3710 -44.3710 7.4530 7.4530 7.4530 7.4530 7.9733 7.9733 7.9733 7.9733 8.4073 8.4073 8.4073 8.4073 8.6848 8.6848 8.6848 8.6848 9.5453 9.5453 9.5453 9.5453 9.6716 9.6716 9.6716 9.6716 9.7432 9.7432 9.7432 9.7432 9.9930 9.9930 9.9930 9.9930 10.5792 10.5792 10.5792 10.5792 10.8769 10.8769 10.8769 10.8769 10.9306 10.9306 10.9306 10.9306 11.3891 11.3891 11.3891 11.3891 11.5014 11.5014 11.5014 11.5014 12.0542 12.0542 k = 0.4032 0.2328 0.6401 ( 11698 PWs) bands (ev): -80.4418 -80.4418 -80.4418 -80.4418 -46.1129 -46.1129 -46.1129 -46.1129 -44.3809 -44.3809 -44.3809 -44.3809 -44.3710 -44.3710 -44.3710 -44.3710 7.4940 7.4940 7.4940 7.4940 7.9919 7.9919 7.9919 7.9919 8.4269 8.4269 8.4269 8.4269 8.7117 8.7117 8.7117 8.7117 9.5461 9.5461 9.5461 9.5461 9.6825 9.6825 9.6825 9.6825 9.7569 9.7569 9.7569 9.7569 9.9589 9.9589 9.9589 9.9589 10.5612 10.5612 10.5612 10.5612 10.8566 10.8566 10.8566 10.8566 10.8948 10.8948 10.8948 10.8948 11.3532 11.3532 11.3532 11.3532 11.4917 11.4917 11.4917 11.4917 12.1003 12.1003 k = 0.4194 0.2421 0.6401 ( 11704 PWs) bands (ev): -80.4418 -80.4418 -80.4418 -80.4418 -46.1130 -46.1130 -46.1130 -46.1130 -44.3809 -44.3809 -44.3809 -44.3809 -44.3710 -44.3710 -44.3710 -44.3710 7.5312 7.5312 7.5312 7.5312 8.0068 8.0068 8.0068 8.0068 8.4449 8.4449 8.4449 8.4449 8.7355 8.7355 8.7355 8.7355 9.5465 9.5465 9.5465 9.5465 9.6930 9.6930 9.6930 9.6930 9.7696 9.7696 9.7696 9.7696 9.9272 9.9272 9.9272 9.9272 10.5454 10.5454 10.5454 10.5454 10.8355 10.8355 10.8355 10.8355 10.8637 10.8637 10.8637 10.8637 11.3235 11.3235 11.3235 11.3235 11.4857 11.4857 11.4857 11.4857 12.1436 12.1436 k = 0.4355 0.2514 0.6401 ( 11708 PWs) bands (ev): -80.4419 -80.4419 -80.4419 -80.4419 -46.1130 -46.1130 -46.1130 -46.1130 -44.3809 -44.3809 -44.3809 -44.3809 -44.3711 -44.3711 -44.3711 -44.3711 7.5638 7.5638 7.5638 7.5638 8.0180 8.0180 8.0180 8.0180 8.4609 8.4609 8.4609 8.4609 8.7558 8.7558 8.7558 8.7558 9.5467 9.5467 9.5467 9.5467 9.7030 9.7030 9.7030 9.7030 9.7807 9.7807 9.7807 9.7807 9.8987 9.8987 9.8987 9.8987 10.5321 10.5321 10.5321 10.5321 10.8146 10.8146 10.8146 10.8146 10.8384 10.8384 10.8384 10.8384 11.2998 11.2998 11.2998 11.2998 11.4823 11.4823 11.4823 11.4823 12.1822 12.1822 k = 0.4516 0.2607 0.6401 ( 11704 PWs) bands (ev): -80.4418 -80.4418 -80.4418 -80.4418 -46.1130 -46.1130 -46.1130 -46.1130 -44.3809 -44.3809 -44.3809 -44.3809 -44.3711 -44.3711 -44.3711 -44.3711 7.5907 7.5907 7.5907 7.5907 8.0260 8.0260 8.0260 8.0260 8.4741 8.4741 8.4741 8.4741 8.7720 8.7720 8.7720 8.7720 9.5468 9.5468 9.5468 9.5468 9.7125 9.7125 9.7125 9.7125 9.7900 9.7900 9.7900 9.7900 9.8744 9.8744 9.8744 9.8744 10.5215 10.5215 10.5215 10.5215 10.7962 10.7962 10.7962 10.7962 10.8187 10.8187 10.8187 10.8187 11.2820 11.2820 11.2820 11.2820 11.4806 11.4806 11.4806 11.4806 12.2140 12.2140 k = 0.4677 0.2701 0.6401 ( 11700 PWs) bands (ev): -80.4418 -80.4418 -80.4418 -80.4418 -46.1130 -46.1130 -46.1130 -46.1130 -44.3809 -44.3809 -44.3809 -44.3809 -44.3711 -44.3711 -44.3711 -44.3711 7.6108 7.6108 7.6108 7.6108 8.0312 8.0312 8.0312 8.0312 8.4839 8.4839 8.4839 8.4839 8.7840 8.7840 8.7840 8.7840 9.5469 9.5469 9.5469 9.5469 9.7206 9.7206 9.7206 9.7206 9.7970 9.7970 9.7970 9.7970 9.8552 9.8552 9.8552 9.8552 10.5136 10.5136 10.5136 10.5136 10.7820 10.7820 10.7820 10.7820 10.8045 10.8045 10.8045 10.8045 11.2698 11.2698 11.2698 11.2698 11.4799 11.4799 11.4799 11.4799 12.2367 12.2368 k = 0.4839 0.2794 0.6401 ( 11694 PWs) bands (ev): -80.4417 -80.4417 -80.4417 -80.4417 -46.1129 -46.1129 -46.1129 -46.1129 -44.3809 -44.3809 -44.3809 -44.3809 -44.3710 -44.3710 -44.3710 -44.3710 7.6233 7.6233 7.6233 7.6233 8.0341 8.0341 8.0341 8.0341 8.4900 8.4900 8.4900 8.4900 8.7913 8.7913 8.7913 8.7913 9.5470 9.5470 9.5470 9.5470 9.7265 9.7265 9.7265 9.7265 9.8015 9.8015 9.8015 9.8015 9.8426 9.8426 9.8426 9.8426 10.5087 10.5087 10.5087 10.5087 10.7731 10.7731 10.7731 10.7731 10.7958 10.7958 10.7958 10.7958 11.2626 11.2626 11.2626 11.2626 11.4798 11.4798 11.4798 11.4798 12.2489 12.2489 k = 0.5000 0.2887 0.6401 ( 11708 PWs) bands (ev): -80.4419 -80.4419 -80.4419 -80.4419 -46.1130 -46.1130 -46.1130 -46.1130 -44.3810 -44.3810 -44.3810 -44.3810 -44.3711 -44.3711 -44.3711 -44.3711 7.6275 7.6275 7.6275 7.6275 8.0350 8.0350 8.0350 8.0350 8.4921 8.4921 8.4921 8.4921 8.7937 8.7937 8.7937 8.7937 9.5470 9.5470 9.5470 9.5470 9.7285 9.7285 9.7285 9.7285 9.8026 9.8026 9.8026 9.8026 9.8379 9.8379 9.8379 9.8379 10.5069 10.5069 10.5069 10.5069 10.7701 10.7701 10.7701 10.7701 10.7928 10.7928 10.7928 10.7928 11.2602 11.2602 11.2602 11.2602 11.4797 11.4797 11.4797 11.4797 12.2520 12.2520 k = 0.5000 0.2887 0.6401 ( 11708 PWs) bands (ev): -80.4419 -80.4419 -80.4419 -80.4419 -46.1130 -46.1130 -46.1130 -46.1130 -44.3810 -44.3810 -44.3810 -44.3810 -44.3711 -44.3711 -44.3711 -44.3711 7.6275 7.6275 7.6275 7.6275 8.0350 8.0350 8.0350 8.0350 8.4921 8.4921 8.4921 8.4921 8.7937 8.7937 8.7937 8.7937 9.5470 9.5470 9.5470 9.5470 9.7285 9.7285 9.7285 9.7285 9.8026 9.8026 9.8026 9.8026 9.8379 9.8379 9.8379 9.8379 10.5069 10.5069 10.5069 10.5069 10.7701 10.7701 10.7701 10.7701 10.7928 10.7928 10.7928 10.7928 11.2602 11.2602 11.2602 11.2602 11.4797 11.4797 11.4797 11.4797 12.2520 12.2520 k = 0.4907 0.3047 0.6401 ( 11696 PWs) bands (ev): -80.4417 -80.4417 -80.4417 -80.4417 -46.1129 -46.1129 -46.1129 -46.1129 -44.3809 -44.3809 -44.3809 -44.3809 -44.3710 -44.3710 -44.3710 -44.3710 7.6283 7.6283 7.6290 7.6290 8.0362 8.0362 8.0366 8.0366 8.4903 8.4903 8.4931 8.4931 8.7941 8.7941 8.7976 8.7976 9.5462 9.5462 9.5482 9.5482 9.7268 9.7268 9.7282 9.7282 9.7969 9.7969 9.8085 9.8085 9.8351 9.8351 9.8401 9.8401 10.5066 10.5066 10.5067 10.5067 10.7618 10.7618 10.7691 10.7691 10.7947 10.7947 10.7959 10.7959 11.2547 11.2547 11.2561 11.2561 11.4792 11.4792 11.4862 11.4862 12.2531 12.2532 k = 0.4815 0.3208 0.6401 ( 11694 PWs) bands (ev): -80.4417 -80.4417 -80.4417 -80.4417 -46.1129 -46.1129 -46.1129 -46.1129 -44.3809 -44.3809 -44.3809 -44.3809 -44.3710 -44.3710 -44.3710 -44.3710 7.6314 7.6314 7.6328 7.6328 8.0402 8.0402 8.0411 8.0411 8.4877 8.4877 8.4932 8.4932 8.7987 8.7987 8.8056 8.8056 9.5458 9.5458 9.5497 9.5497 9.7228 9.7228 9.7250 9.7250 9.7914 9.7914 9.8133 9.8133 9.8317 9.8317 9.8409 9.8409 10.5054 10.5054 10.5055 10.5055 10.7487 10.7487 10.7600 10.7600 10.7992 10.7992 10.8000 10.8000 11.2399 11.2399 11.2431 11.2431 11.4839 11.4839 11.4973 11.4973 12.2567 12.2569 k = 0.4722 0.3368 0.6401 ( 11690 PWs) bands (ev): -80.4417 -80.4417 -80.4417 -80.4417 -46.1129 -46.1129 -46.1129 -46.1129 -44.3809 -44.3809 -44.3809 -44.3809 -44.3710 -44.3710 -44.3710 -44.3710 7.6366 7.6366 7.6389 7.6389 8.0471 8.0471 8.0483 8.0483 8.4845 8.4845 8.4926 8.4926 8.8074 8.8074 8.8175 8.8175 9.5456 9.5456 9.5514 9.5514 9.7169 9.7169 9.7189 9.7189 9.7867 9.7867 9.8139 9.8139 9.8311 9.8311 9.8405 9.8405 10.5032 10.5032 10.5035 10.5035 10.7331 10.7331 10.7470 10.7470 10.8009 10.8009 10.8048 10.8048 11.2182 11.2182 11.2238 11.2238 11.4920 11.4920 11.5110 11.5110 12.2562 12.2569 k = 0.4630 0.3528 0.6401 ( 11702 PWs) bands (ev): -80.4418 -80.4418 -80.4418 -80.4418 -46.1130 -46.1130 -46.1130 -46.1130 -44.3809 -44.3809 -44.3809 -44.3809 -44.3711 -44.3711 -44.3710 -44.3710 7.6441 7.6441 7.6471 7.6471 8.0565 8.0565 8.0580 8.0580 8.4809 8.4809 8.4912 8.4912 8.8199 8.8199 8.8328 8.8328 9.5450 9.5450 9.5527 9.5527 9.7089 9.7089 9.7095 9.7095 9.7824 9.7824 9.8084 9.8084 9.8351 9.8351 9.8391 9.8391 10.4995 10.4995 10.5006 10.5006 10.7160 10.7160 10.7317 10.7317 10.8008 10.8008 10.8079 10.8079 11.1917 11.1917 11.1998 11.1998 11.5017 11.5017 11.5253 11.5253 12.2525 12.2528 k = 0.4537 0.3689 0.6401 ( 11698 PWs) bands (ev): -80.4418 -80.4418 -80.4418 -80.4418 -46.1130 -46.1130 -46.1130 -46.1130 -44.3809 -44.3809 -44.3809 -44.3809 -44.3710 -44.3710 -44.3710 -44.3710 7.6536 7.6536 7.6574 7.6574 8.0683 8.0683 8.0700 8.0700 8.4771 8.4771 8.4895 8.4895 8.8362 8.8362 8.8517 8.8517 9.5449 9.5449 9.5544 9.5544 9.6974 9.6974 9.6991 9.6991 9.7784 9.7784 9.7997 9.7997 9.8374 9.8374 9.8412 9.8412 10.4941 10.4941 10.4969 10.4969 10.6984 10.6984 10.7149 10.7149 10.7989 10.7989 10.8092 10.8092 11.1622 11.1622 11.1729 11.1729 11.5115 11.5115 11.5390 11.5390 12.2457 12.2458 k = 0.4444 0.3849 0.6401 ( 11694 PWs) bands (ev): -80.4417 -80.4417 -80.4417 -80.4417 -46.1129 -46.1129 -46.1129 -46.1129 -44.3809 -44.3809 -44.3809 -44.3809 -44.3710 -44.3710 -44.3710 -44.3710 7.6649 7.6649 7.6696 7.6696 8.0822 8.0822 8.0840 8.0840 8.4733 8.4733 8.4877 8.4877 8.8559 8.8559 8.8737 8.8737 9.5454 9.5454 9.5565 9.5565 9.6825 9.6825 9.6868 9.6868 9.7739 9.7739 9.7892 9.7892 9.8352 9.8352 9.8480 9.8480 10.4863 10.4863 10.4920 10.4920 10.6813 10.6813 10.6975 10.6975 10.7955 10.7955 10.8088 10.8088 11.1311 11.1311 11.1440 11.1440 11.5207 11.5207 11.5516 11.5516 12.2366 12.2366 k = 0.4352 0.4009 0.6401 ( 11694 PWs) bands (ev): -80.4417 -80.4417 -80.4417 -80.4417 -46.1129 -46.1129 -46.1129 -46.1129 -44.3809 -44.3809 -44.3809 -44.3809 -44.3710 -44.3710 -44.3710 -44.3710 7.6779 7.6779 7.6834 7.6834 8.0979 8.0979 8.0995 8.0995 8.4697 8.4697 8.4859 8.4859 8.8786 8.8786 8.8985 8.8985 9.5461 9.5461 9.5585 9.5585 9.6652 9.6652 9.6719 9.6719 9.7687 9.7687 9.7776 9.7776 9.8330 9.8330 9.8552 9.8552 10.4755 10.4755 10.4857 10.4857 10.6658 10.6658 10.6803 10.6803 10.7908 10.7908 10.8069 10.8069 11.0992 11.0992 11.1140 11.1140 11.5289 11.5289 11.5626 11.5626 12.2257 12.2258 k = 0.4259 0.4170 0.6401 ( 11696 PWs) bands (ev): -80.4417 -80.4417 -80.4417 -80.4417 -46.1129 -46.1129 -46.1129 -46.1129 -44.3809 -44.3809 -44.3809 -44.3809 -44.3710 -44.3710 -44.3710 -44.3710 7.6924 7.6924 7.6987 7.6987 8.1149 8.1149 8.1161 8.1161 8.4664 8.4664 8.4844 8.4844 8.9041 8.9041 8.9259 8.9259 9.5473 9.5473 9.5602 9.5602 9.6460 9.6460 9.6541 9.6541 9.7623 9.7623 9.7652 9.7652 9.8309 9.8309 9.8626 9.8626 10.4612 10.4612 10.4774 10.4774 10.6528 10.6528 10.6644 10.6644 10.7852 10.7852 10.8036 10.8036 11.0671 11.0671 11.0833 11.0833 11.5359 11.5359 11.5720 11.5720 12.2138 12.2140 k = 0.4167 0.4330 0.6401 ( 11704 PWs) bands (ev): -80.4418 -80.4418 -80.4418 -80.4418 -46.1130 -46.1130 -46.1130 -46.1130 -44.3809 -44.3809 -44.3809 -44.3809 -44.3711 -44.3711 -44.3711 -44.3711 7.7080 7.7080 7.7151 7.7151 8.1326 8.1326 8.1333 8.1333 8.4634 8.4634 8.4834 8.4834 8.9322 8.9322 8.9557 8.9557 9.5485 9.5485 9.5600 9.5600 9.6261 9.6261 9.6333 9.6333 9.7526 9.7526 9.7547 9.7547 9.8290 9.8290 9.8701 9.8701 10.4432 10.4432 10.4668 10.4668 10.6433 10.6433 10.6507 10.6507 10.7792 10.7792 10.7995 10.7995 11.0352 11.0352 11.0523 11.0523 11.5420 11.5420 11.5802 11.5802 12.2011 12.2011 k = 0.4074 0.4491 0.6401 ( 11712 PWs) bands (ev): -80.4419 -80.4419 -80.4419 -80.4419 -46.1130 -46.1130 -46.1130 -46.1130 -44.3810 -44.3810 -44.3810 -44.3810 -44.3711 -44.3711 -44.3711 -44.3711 7.7243 7.7243 7.7324 7.7324 8.1504 8.1504 8.1506 8.1506 8.4611 8.4611 8.4830 8.4830 8.9625 8.9625 8.9876 8.9876 9.5504 9.5504 9.5553 9.5553 9.6092 9.6092 9.6093 9.6093 9.7398 9.7398 9.7458 9.7458 9.8273 9.8273 9.8778 9.8778 10.4219 10.4219 10.4539 10.4539 10.6373 10.6373 10.6401 10.6401 10.7731 10.7731 10.7947 10.7947 11.0038 11.0038 11.0212 11.0212 11.5472 11.5472 11.5872 11.5872 12.1881 12.1882 k = 0.3981 0.4651 0.6401 ( 11716 PWs) bands (ev): -80.4419 -80.4419 -80.4419 -80.4419 -46.1130 -46.1130 -46.1130 -46.1130 -44.3810 -44.3810 -44.3810 -44.3810 -44.3711 -44.3711 -44.3711 -44.3711 7.7410 7.7410 7.7500 7.7500 8.1669 8.1669 8.1682 8.1682 8.4593 8.4593 8.4833 8.4833 8.9948 8.9948 9.0214 9.0214 9.5404 9.5404 9.5526 9.5526 9.5823 9.5823 9.6006 9.6006 9.7274 9.7274 9.7358 9.7358 9.8265 9.8265 9.8862 9.8862 10.3982 10.3982 10.4388 10.4388 10.6330 10.6330 10.6347 10.6347 10.7676 10.7676 10.7898 10.7898 10.9731 10.9731 10.9902 10.9902 11.5517 11.5517 11.5933 11.5933 12.1751 12.1753 k = 0.3889 0.4811 0.6401 ( 11714 PWs) bands (ev): -80.4419 -80.4419 -80.4419 -80.4419 -46.1130 -46.1130 -46.1130 -46.1130 -44.3810 -44.3810 -44.3810 -44.3810 -44.3711 -44.3711 -44.3711 -44.3711 7.7577 7.7577 7.7675 7.7675 8.1819 8.1819 8.1848 8.1848 8.4583 8.4583 8.4844 8.4844 9.0290 9.0290 9.0570 9.0570 9.5159 9.5159 9.5511 9.5511 9.5570 9.5570 9.6006 9.6006 9.7152 9.7152 9.7249 9.7249 9.8258 9.8258 9.8947 9.8947 10.3732 10.3732 10.4224 10.4224 10.6293 10.6293 10.6350 10.6350 10.7630 10.7630 10.7852 10.7852 10.9435 10.9435 10.9597 10.9597 11.5556 11.5556 11.5987 11.5987 12.1625 12.1626 k = 0.3796 0.4972 0.6401 ( 11724 PWs) bands (ev): -80.4420 -80.4420 -80.4420 -80.4420 -46.1130 -46.1130 -46.1130 -46.1130 -44.3810 -44.3810 -44.3810 -44.3810 -44.3711 -44.3711 -44.3711 -44.3711 7.7736 7.7736 7.7844 7.7844 8.1951 8.1951 8.1996 8.1996 8.4579 8.4579 8.4863 8.4863 9.0644 9.0644 9.0939 9.0939 9.4859 9.4859 9.5198 9.5198 9.5591 9.5591 9.6048 9.6048 9.7034 9.7034 9.7131 9.7131 9.8255 9.8255 9.9033 9.9033 10.3480 10.3480 10.4055 10.4055 10.6287 10.6287 10.6374 10.6374 10.7601 10.7601 10.7814 10.7814 10.9150 10.9150 10.9297 10.9297 11.5591 11.5591 11.6034 11.6034 12.1507 12.1507 k = 0.3704 0.5132 0.6401 ( 11716 PWs) bands (ev): -80.4419 -80.4419 -80.4419 -80.4419 -46.1130 -46.1130 -46.1130 -46.1130 -44.3810 -44.3810 -44.3810 -44.3810 -44.3711 -44.3711 -44.3711 -44.3711 7.7883 7.7883 7.7999 7.7999 8.2060 8.2060 8.2121 8.2121 8.4584 8.4584 8.4889 8.4889 9.1008 9.1008 9.1317 9.1317 9.4530 9.4530 9.4856 9.4856 9.5628 9.5628 9.6116 9.6116 9.6927 9.6927 9.7010 9.7010 9.8257 9.8257 9.9122 9.9122 10.3243 10.3243 10.3895 10.3895 10.6306 10.6306 10.6412 10.6412 10.7597 10.7597 10.7791 10.7791 10.8880 10.8880 10.9006 10.9006 11.5622 11.5622 11.6076 11.6076 12.1402 12.1402 k = 0.3611 0.5292 0.6401 ( 11724 PWs) bands (ev): -80.4420 -80.4420 -80.4420 -80.4420 -46.1130 -46.1130 -46.1130 -46.1130 -44.3810 -44.3810 -44.3810 -44.3810 -44.3711 -44.3711 -44.3711 -44.3711 7.8011 7.8011 7.8134 7.8134 8.2142 8.2142 8.2219 8.2219 8.4594 8.4594 8.4917 8.4917 9.1371 9.1371 9.1696 9.1696 9.4190 9.4190 9.4503 9.4503 9.5663 9.5663 9.6196 9.6196 9.6830 9.6830 9.6886 9.6886 9.8258 9.8258 9.9203 9.9203 10.3032 10.3032 10.3753 10.3753 10.6338 10.6338 10.6453 10.6453 10.7627 10.7627 10.7791 10.7791 10.8626 10.8626 10.8726 10.8726 11.5648 11.5648 11.6111 11.6111 12.1312 12.1312 k = 0.3519 0.5453 0.6401 ( 11712 PWs) bands (ev): -80.4419 -80.4419 -80.4419 -80.4419 -46.1130 -46.1130 -46.1130 -46.1130 -44.3810 -44.3810 -44.3810 -44.3810 -44.3711 -44.3711 -44.3711 -44.3711 7.8111 7.8111 7.8240 7.8240 8.2198 8.2198 8.2288 8.2288 8.4607 8.4607 8.4945 8.4945 9.1719 9.1719 9.2064 9.2064 9.3860 9.3860 9.4158 9.4158 9.5697 9.5697 9.6289 9.6289 9.6753 9.6753 9.6763 9.6763 9.8262 9.8262 9.9274 9.9274 10.2864 10.2864 10.3642 10.3642 10.6376 10.6376 10.6491 10.6491 10.7698 10.7698 10.7822 10.7822 10.8395 10.8395 10.8463 10.8463 11.5670 11.5670 11.6140 11.6140 12.1243 12.1244 k = 0.3426 0.5613 0.6401 ( 11724 PWs) bands (ev): -80.4420 -80.4420 -80.4420 -80.4420 -46.1130 -46.1130 -46.1130 -46.1130 -44.3810 -44.3810 -44.3810 -44.3810 -44.3711 -44.3711 -44.3711 -44.3711 7.8176 7.8176 7.8309 7.8309 8.2230 8.2230 8.2328 8.2328 8.4618 8.4618 8.4966 8.4966 9.2006 9.2006 9.2373 9.2373 9.3582 9.3582 9.3859 9.3859 9.5720 9.5720 9.6384 9.6384 9.6645 9.6645 9.6698 9.6698 9.8262 9.8262 9.9319 9.9319 10.2752 10.2752 10.3569 10.3569 10.6405 10.6405 10.6515 10.6515 10.7816 10.7816 10.7895 10.7895 10.8191 10.8191 10.8222 10.8222 11.5684 11.5684 11.6158 11.6158 12.1198 12.1198 k = 0.3333 0.5774 0.6401 ( 11724 PWs) bands (ev): -80.4420 -80.4420 -80.4420 -80.4420 -46.1130 -46.1130 -46.1130 -46.1130 -44.3810 -44.3810 -44.3810 -44.3810 -44.3711 -44.3711 -44.3711 -44.3711 7.8200 7.8200 7.8334 7.8334 8.2240 8.2240 8.2340 8.2340 8.4623 8.4623 8.4974 8.4974 9.2132 9.2132 9.2514 9.2514 9.3459 9.3459 9.3722 9.3722 9.5727 9.5727 9.6449 9.6449 9.6572 9.6572 9.6680 9.6680 9.8261 9.8261 9.9335 9.9335 10.2714 10.2714 10.3544 10.3544 10.6417 10.6417 10.6524 10.6524 10.7942 10.7942 10.7999 10.7999 10.8040 10.8040 10.8054 10.8054 11.5690 11.5690 11.6165 11.6165 12.1183 12.1183 k = 0.3333 0.5774 0.6401 ( 11724 PWs) bands (ev): -80.4420 -80.4420 -80.4420 -80.4420 -46.1130 -46.1130 -46.1130 -46.1130 -44.3810 -44.3810 -44.3810 -44.3810 -44.3711 -44.3711 -44.3711 -44.3711 7.8200 7.8200 7.8334 7.8334 8.2240 8.2240 8.2340 8.2340 8.4623 8.4623 8.4974 8.4974 9.2132 9.2132 9.2514 9.2514 9.3459 9.3459 9.3722 9.3722 9.5727 9.5727 9.6449 9.6449 9.6572 9.6572 9.6680 9.6680 9.8261 9.8261 9.9335 9.9335 10.2714 10.2714 10.3544 10.3544 10.6417 10.6417 10.6524 10.6524 10.7942 10.7942 10.7999 10.7999 10.8040 10.8040 10.8054 10.8054 11.5690 11.5690 11.6165 11.6165 12.1183 12.1183 k = 0.3241 0.5613 0.6401 ( 11724 PWs) bands (ev): -80.4420 -80.4420 -80.4420 -80.4420 -46.1130 -46.1130 -46.1130 -46.1130 -44.3810 -44.3810 -44.3810 -44.3810 -44.3711 -44.3711 -44.3711 -44.3711 7.8175 7.8175 7.8307 7.8307 8.2231 8.2231 8.2328 8.2328 8.4617 8.4617 8.4964 8.4964 9.2002 9.2002 9.2369 9.2369 9.3584 9.3584 9.3861 9.3861 9.5720 9.5720 9.6387 9.6387 9.6643 9.6643 9.6699 9.6699 9.8263 9.8263 9.9319 9.9319 10.2755 10.2755 10.3571 10.3571 10.6404 10.6404 10.6515 10.6515 10.7811 10.7811 10.7890 10.7890 10.8199 10.8199 10.8230 10.8230 11.5683 11.5683 11.6157 11.6157 12.1200 12.1200 k = 0.3148 0.5453 0.6401 ( 11716 PWs) bands (ev): -80.4419 -80.4419 -80.4419 -80.4419 -46.1130 -46.1130 -46.1130 -46.1130 -44.3810 -44.3810 -44.3810 -44.3810 -44.3711 -44.3711 -44.3711 -44.3711 7.8096 7.8096 7.8224 7.8224 8.2204 8.2204 8.2293 8.2293 8.4595 8.4595 8.4933 8.4933 9.1699 9.1699 9.2042 9.2042 9.3876 9.3876 9.4176 9.4176 9.5696 9.5696 9.6298 9.6298 9.6750 9.6750 9.6756 9.6756 9.8264 9.8264 9.9265 9.9265 10.2879 10.2879 10.3653 10.3653 10.6365 10.6365 10.6484 10.6484 10.7685 10.7685 10.7812 10.7812 10.8433 10.8433 10.8499 10.8499 11.5665 11.5665 11.6134 11.6134 12.1253 12.1253 k = 0.3056 0.5292 0.6401 ( 11720 PWs) bands (ev): -80.4420 -80.4420 -80.4420 -80.4420 -46.1130 -46.1130 -46.1130 -46.1130 -44.3810 -44.3810 -44.3810 -44.3810 -44.3711 -44.3711 -44.3711 -44.3711 7.7960 7.7960 7.8081 7.8081 8.2160 8.2160 8.2236 8.2236 8.4554 8.4554 8.4878 8.4878 9.1321 9.1321 9.1643 9.1643 9.4228 9.4228 9.4547 9.4547 9.5661 9.5661 9.6220 9.6220 9.6841 9.6841 9.6850 9.6850 9.8271 9.8271 9.9182 9.9182 10.3080 10.3080 10.3791 10.3791 10.6304 10.6304 10.6433 10.6433 10.7615 10.7615 10.7787 10.7787 10.8721 10.8721 10.8816 10.8816 11.5632 11.5632 11.6093 11.6093 12.1346 12.1347 k = 0.2963 0.5132 0.6401 ( 11716 PWs) bands (ev): -80.4419 -80.4419 -80.4419 -80.4419 -46.1130 -46.1130 -46.1130 -46.1130 -44.3810 -44.3810 -44.3810 -44.3810 -44.3711 -44.3711 -44.3711 -44.3711 7.7768 7.7768 7.7880 7.7880 8.2097 8.2097 8.2155 8.2155 8.4496 8.4496 8.4799 8.4799 9.0912 9.0912 9.1215 9.1215 9.4593 9.4593 9.4930 9.4930 9.5624 9.5624 9.6162 9.6162 9.6935 9.6935 9.6946 9.6946 9.8294 9.8294 9.9084 9.9084 10.3348 10.3348 10.3983 10.3983 10.6232 10.6232 10.6364 10.6364 10.7611 10.7611 10.7815 10.7815 10.9061 10.9061 10.9177 10.9177 11.5584 11.5584 11.6034 11.6034 12.1481 12.1482 k = 0.2870 0.4972 0.6401 ( 11706 PWs) bands (ev): -80.4418 -80.4418 -80.4418 -80.4418 -46.1130 -46.1130 -46.1130 -46.1130 -44.3809 -44.3809 -44.3809 -44.3809 -44.3711 -44.3711 -44.3711 -44.3711 7.7522 7.7522 7.7624 7.7624 8.2009 8.2009 8.2048 8.2048 8.4419 8.4419 8.4698 8.4698 9.0486 9.0486 9.0773 9.0773 9.4940 9.4940 9.5299 9.5299 9.5592 9.5592 9.6133 9.6133 9.6991 9.6991 9.7066 9.7066 9.8349 9.8349 9.8988 9.8988 10.3670 10.3670 10.4222 10.4222 10.6161 10.6161 10.6289 10.6289 10.7672 10.7672 10.7897 10.7897 10.9449 10.9449 10.9580 10.9580 11.5521 11.5521 11.5957 11.5957 12.1659 12.1659 k = 0.2778 0.4811 0.6401 ( 11706 PWs) bands (ev): -80.4418 -80.4418 -80.4418 -80.4418 -46.1130 -46.1130 -46.1130 -46.1130 -44.3809 -44.3809 -44.3809 -44.3809 -44.3711 -44.3711 -44.3711 -44.3711 7.7224 7.7224 7.7315 7.7315 8.1893 8.1893 8.1911 8.1911 8.4326 8.4326 8.4578 8.4578 9.0054 9.0054 9.0324 9.0324 9.5236 9.5236 9.5538 9.5538 9.5662 9.5662 9.6149 9.6149 9.7014 9.7014 9.7192 9.7192 9.8437 9.8437 9.8907 9.8907 10.4025 10.4025 10.4496 10.4496 10.6100 10.6100 10.6221 10.6221 10.7798 10.7798 10.8033 10.8033 10.9884 10.9884 11.0024 11.0024 11.5442 11.5442 11.5862 11.5862 12.1878 12.1880 k = 0.2685 0.4651 0.6401 ( 11698 PWs) bands (ev): -80.4417 -80.4417 -80.4417 -80.4417 -46.1129 -46.1129 -46.1129 -46.1129 -44.3809 -44.3809 -44.3809 -44.3809 -44.3711 -44.3711 -44.3711 -44.3711 7.6880 7.6880 7.6961 7.6961 8.1741 8.1741 8.1744 8.1744 8.4219 8.4219 8.4444 8.4444 8.9616 8.9616 8.9870 8.9870 9.5448 9.5448 9.5525 9.5525 9.5945 9.5945 9.6233 9.6233 9.7002 9.7002 9.7313 9.7313 9.8575 9.8575 9.8872 9.8872 10.4402 10.4402 10.4800 10.4800 10.6061 10.6061 10.6173 10.6173 10.7984 10.7984 10.8224 10.8224 11.0363 11.0363 11.0507 11.0507 11.5348 11.5348 11.5751 11.5751 12.2137 12.2139 k = 0.2593 0.4491 0.6401 ( 11706 PWs) bands (ev): -80.4418 -80.4418 -80.4418 -80.4418 -46.1130 -46.1130 -46.1130 -46.1130 -44.3809 -44.3809 -44.3809 -44.3809 -44.3711 -44.3711 -44.3711 -44.3711 7.6497 7.6497 7.6567 7.6567 8.1536 8.1536 8.1557 8.1557 8.4102 8.4102 8.4298 8.4298 8.9175 8.9175 8.9413 8.9413 9.5506 9.5506 9.5561 9.5561 9.6171 9.6171 9.6372 9.6372 9.6958 9.6958 9.7404 9.7404 9.8763 9.8763 9.8911 9.8911 10.4781 10.4781 10.5118 10.5118 10.6053 10.6053 10.6163 10.6163 10.8232 10.8232 10.8470 10.8470 11.0883 11.0883 11.1029 11.1029 11.5240 11.5240 11.5624 11.5624 12.2429 12.2431 k = 0.2500 0.4330 0.6401 ( 11698 PWs) bands (ev): -80.4418 -80.4418 -80.4418 -80.4418 -46.1129 -46.1129 -46.1129 -46.1129 -44.3809 -44.3809 -44.3809 -44.3809 -44.3710 -44.3710 -44.3710 -44.3710 7.6080 7.6080 7.6141 7.6141 8.1295 8.1295 8.1332 8.1332 8.3976 8.3976 8.4146 8.4146 8.8734 8.8734 8.8956 8.8956 9.5495 9.5495 9.5613 9.5613 9.6332 9.6332 9.6520 9.6520 9.6900 9.6900 9.7443 9.7443 9.9005 9.9005 9.9055 9.9055 10.5137 10.5137 10.5436 10.5436 10.6094 10.6094 10.6213 10.6213 10.8541 10.8541 10.8773 10.8773 11.1443 11.1443 11.1587 11.1587 11.5119 11.5119 11.5484 11.5484 12.2739 12.2740 k = 0.2407 0.4170 0.6401 ( 11702 PWs) bands (ev): -80.4418 -80.4418 -80.4418 -80.4418 -46.1130 -46.1130 -46.1130 -46.1130 -44.3809 -44.3809 -44.3809 -44.3809 -44.3710 -44.3710 -44.3710 -44.3710 7.5636 7.5636 7.5688 7.5688 8.1019 8.1019 8.1068 8.1068 8.3844 8.3844 8.3989 8.3989 8.8294 8.8294 8.8500 8.8500 9.5482 9.5482 9.5631 9.5631 9.6427 9.6427 9.6611 9.6611 9.6848 9.6848 9.7421 9.7421 9.9296 9.9296 9.9299 9.9299 10.5434 10.5434 10.5718 10.5718 10.6208 10.6208 10.6352 10.6352 10.8911 10.8911 10.9132 10.9132 11.2040 11.2040 11.2182 11.2182 11.4990 11.4990 11.5334 11.5334 12.2874 12.2875 k = 0.2315 0.4009 0.6401 ( 11692 PWs) bands (ev): -80.4417 -80.4417 -80.4417 -80.4417 -46.1129 -46.1129 -46.1129 -46.1129 -44.3809 -44.3809 -44.3809 -44.3809 -44.3710 -44.3710 -44.3710 -44.3710 7.5170 7.5170 7.5215 7.5215 8.0711 8.0711 8.0768 8.0768 8.3708 8.3708 8.3832 8.3832 8.7858 8.7858 8.8047 8.8047 9.5472 9.5472 9.5636 9.5636 9.6468 9.6468 9.6594 9.6594 9.6850 9.6850 9.7356 9.7356 9.9619 9.9619 9.9627 9.9627 10.5657 10.5657 10.5936 10.5936 10.6429 10.6429 10.6594 10.6594 10.9340 10.9340 10.9545 10.9545 11.2671 11.2671 11.2811 11.2811 11.4855 11.4855 11.5178 11.5178 12.2328 12.2328 k = 0.2222 0.3849 0.6401 ( 11700 PWs) bands (ev): -80.4418 -80.4418 -80.4418 -80.4418 -46.1129 -46.1129 -46.1129 -46.1129 -44.3809 -44.3809 -44.3809 -44.3809 -44.3710 -44.3710 -44.3710 -44.3710 7.4688 7.4688 7.4726 7.4726 8.0373 8.0373 8.0434 8.0434 8.3567 8.3567 8.3673 8.3673 8.7423 8.7423 8.7597 8.7597 9.5459 9.5459 9.5631 9.5631 9.6460 9.6460 9.6504 9.6504 9.6864 9.6864 9.7260 9.7260 9.9981 9.9981 9.9984 9.9984 10.5827 10.5827 10.6108 10.6108 10.6727 10.6727 10.6911 10.6911 10.9822 10.9822 11.0005 11.0005 11.3332 11.3332 11.3472 11.3472 11.4718 11.4718 11.5017 11.5017 12.1765 12.1765 k = 0.2130 0.3689 0.6401 ( 11692 PWs) bands (ev): -80.4417 -80.4417 -80.4417 -80.4417 -46.1129 -46.1129 -46.1129 -46.1129 -44.3809 -44.3809 -44.3809 -44.3809 -44.3710 -44.3710 -44.3710 -44.3710 7.4195 7.4195 7.4228 7.4228 8.0011 8.0011 8.0074 8.0074 8.3423 8.3423 8.3515 8.3515 8.6993 8.6993 8.7153 8.7153 9.5443 9.5443 9.5618 9.5618 9.6390 9.6390 9.6419 9.6419 9.6856 9.6856 9.7149 9.7149 10.0361 10.0361 10.0370 10.0370 10.5987 10.5987 10.6281 10.6281 10.7055 10.7055 10.7261 10.7261 11.0349 11.0349 11.0504 11.0504 11.4003 11.4003 11.4157 11.4157 11.4603 11.4603 11.4863 11.4863 12.1215 12.1215 k = 0.2037 0.3528 0.6401 ( 11698 PWs) bands (ev): -80.4418 -80.4418 -80.4418 -80.4418 -46.1129 -46.1129 -46.1129 -46.1129 -44.3809 -44.3809 -44.3809 -44.3809 -44.3710 -44.3710 -44.3710 -44.3710 7.3696 7.3696 7.3723 7.3723 7.9630 7.9630 7.9691 7.9691 8.3277 8.3277 8.3357 8.3357 8.6568 8.6568 8.6714 8.6714 9.5421 9.5421 9.5595 9.5595 9.6266 9.6266 9.6347 9.6347 9.6814 9.6814 9.7026 9.7026 10.0747 10.0747 10.0769 10.0769 10.6156 10.6156 10.6473 10.6473 10.7390 10.7390 10.7618 10.7618 11.0906 11.0906 11.1025 11.1025 11.4350 11.4350 11.4623 11.4623 11.4847 11.4847 11.4958 11.4958 12.0693 12.0693 k = 0.1944 0.3368 0.6401 ( 11706 PWs) bands (ev): -80.4418 -80.4418 -80.4418 -80.4418 -46.1130 -46.1130 -46.1130 -46.1130 -44.3809 -44.3809 -44.3809 -44.3809 -44.3710 -44.3710 -44.3710 -44.3710 7.3195 7.3195 7.3218 7.3218 7.9233 7.9233 7.9291 7.9291 8.3128 8.3128 8.3198 8.3198 8.6149 8.6149 8.6281 8.6281 9.5392 9.5392 9.5565 9.5565 9.6135 9.6135 9.6255 9.6255 9.6747 9.6747 9.6894 9.6894 10.1135 10.1135 10.1171 10.1171 10.6342 10.6342 10.6686 10.6686 10.7720 10.7720 10.7969 10.7969 11.1473 11.1473 11.1545 11.1545 11.4264 11.4264 11.4502 11.4502 11.5564 11.5564 11.5672 11.5672 12.0220 12.0220 k = 0.1852 0.3208 0.6401 ( 11712 PWs) bands (ev): -80.4419 -80.4419 -80.4419 -80.4419 -46.1130 -46.1130 -46.1130 -46.1130 -44.3809 -44.3809 -44.3809 -44.3809 -44.3710 -44.3710 -44.3710 -44.3710 7.2696 7.2696 7.2715 7.2715 7.8825 7.8825 7.8879 7.8879 8.2977 8.2977 8.3040 8.3040 8.5738 8.5738 8.5858 8.5858 9.5354 9.5354 9.5525 9.5525 9.6004 9.6004 9.6149 9.6149 9.6658 9.6658 9.6756 9.6756 10.1524 10.1524 10.1572 10.1572 10.6548 10.6548 10.6920 10.6920 10.8045 10.8045 10.8311 10.8311 11.2020 11.2020 11.2026 11.2026 11.4177 11.4177 11.4364 11.4364 11.6343 11.6343 11.6445 11.6445 11.9823 11.9823 k = 0.1759 0.3047 0.6401 ( 11716 PWs) bands (ev): -80.4420 -80.4420 -80.4420 -80.4420 -46.1130 -46.1130 -46.1130 -46.1130 -44.3810 -44.3810 -44.3810 -44.3810 -44.3710 -44.3710 -44.3710 -44.3710 7.2203 7.2203 7.2218 7.2218 7.8412 7.8412 7.8460 7.8460 8.2827 8.2827 8.2883 8.2883 8.5336 8.5336 8.5444 8.5444 9.5308 9.5308 9.5475 9.5475 9.5872 9.5872 9.6031 9.6031 9.6552 9.6552 9.6615 9.6615 10.1914 10.1914 10.1973 10.1973 10.6771 10.6771 10.7171 10.7171 10.8359 10.8359 10.8639 10.8639 11.2410 11.2410 11.2496 11.2496 11.4145 11.4145 11.4255 11.4255 11.7150 11.7150 11.7236 11.7236 11.9540 11.9540 k = 0.1667 0.2887 0.6401 ( 11712 PWs) bands (ev): -80.4419 -80.4419 -80.4419 -80.4419 -46.1130 -46.1130 -46.1130 -46.1130 -44.3810 -44.3810 -44.3810 -44.3810 -44.3710 -44.3710 -44.3710 -44.3710 7.1718 7.1718 7.1731 7.1731 7.7997 7.7997 7.8040 7.8040 8.2678 8.2678 8.2729 8.2729 8.4946 8.4946 8.5043 8.5043 9.5253 9.5253 9.5416 9.5416 9.5740 9.5740 9.5908 9.5908 9.6435 9.6435 9.6473 9.6473 10.2304 10.2304 10.2372 10.2372 10.7008 10.7008 10.7434 10.7434 10.8659 10.8659 10.8949 10.8949 11.2634 11.2634 11.2836 11.2836 11.4201 11.4201 11.4211 11.4211 11.7976 11.7976 11.8019 11.8019 11.9433 11.9433 k = 0.1574 0.2726 0.6401 ( 11704 PWs) bands (ev): -80.4418 -80.4418 -80.4418 -80.4418 -46.1129 -46.1129 -46.1129 -46.1129 -44.3809 -44.3809 -44.3809 -44.3809 -44.3710 -44.3710 -44.3710 -44.3710 7.1246 7.1246 7.1256 7.1256 7.7583 7.7583 7.7621 7.7621 8.2530 8.2530 8.2577 8.2577 8.4567 8.4567 8.4653 8.4653 9.5192 9.5192 9.5350 9.5350 9.5611 9.5611 9.5781 9.5781 9.6309 9.6309 9.6329 9.6329 10.2695 10.2695 10.2769 10.2769 10.7254 10.7254 10.7702 10.7702 10.8945 10.8945 10.9242 10.9242 11.2686 11.2686 11.2983 11.2983 11.4234 11.4234 11.4314 11.4314 11.8718 11.8718 11.8800 11.8800 11.9619 11.9619 k = 0.1481 0.2566 0.6401 ( 11700 PWs) bands (ev): -80.4418 -80.4418 -80.4418 -80.4418 -46.1129 -46.1129 -46.1129 -46.1129 -44.3809 -44.3809 -44.3809 -44.3809 -44.3710 -44.3710 -44.3710 -44.3710 7.0787 7.0787 7.0796 7.0796 7.7176 7.7176 7.7207 7.7207 8.2385 8.2385 8.2428 8.2428 8.4201 8.4201 8.4278 8.4278 9.5125 9.5125 9.5276 9.5276 9.5484 9.5484 9.5652 9.5652 9.6177 9.6177 9.6185 9.6185 10.3085 10.3085 10.3166 10.3166 10.7503 10.7503 10.7971 10.7971 10.9212 10.9212 10.9513 10.9513 11.2621 11.2621 11.2971 11.2971 11.4264 11.4264 11.4398 11.4398 11.9251 11.9251 11.9530 11.9530 12.0071 12.0071 k = 0.1389 0.2406 0.6401 ( 11708 PWs) bands (ev): -80.4419 -80.4419 -80.4419 -80.4419 -46.1129 -46.1129 -46.1129 -46.1129 -44.3809 -44.3809 -44.3809 -44.3809 -44.3710 -44.3710 -44.3710 -44.3710 7.0346 7.0346 7.0353 7.0353 7.6776 7.6776 7.6803 7.6803 8.2243 8.2243 8.2282 8.2282 8.3850 8.3850 8.3918 8.3918 9.5052 9.5052 9.5194 9.5194 9.5361 9.5361 9.5520 9.5520 9.6040 9.6040 9.6041 9.6041 10.3475 10.3475 10.3560 10.3560 10.7748 10.7748 10.8233 10.8233 10.9457 10.9457 10.9760 10.9760 11.2497 11.2497 11.2872 11.2872 11.4233 11.4233 11.4402 11.4402 11.9773 11.9773 12.0090 12.0090 12.0816 12.0816 k = 0.1296 0.2245 0.6401 ( 11696 PWs) bands (ev): -80.4418 -80.4418 -80.4418 -80.4418 -46.1129 -46.1129 -46.1129 -46.1129 -44.3809 -44.3809 -44.3809 -44.3809 -44.3709 -44.3709 -44.3709 -44.3709 6.9924 6.9924 6.9929 6.9929 7.6389 7.6389 7.6412 7.6412 8.2106 8.2106 8.2142 8.2142 8.3515 8.3515 8.3575 8.3575 9.4978 9.4978 9.5109 9.5109 9.5243 9.5243 9.5393 9.5393 9.5903 9.5903 9.5908 9.5908 10.3868 10.3868 10.3956 10.3956 10.7989 10.7989 10.8488 10.8488 10.9677 10.9677 10.9981 10.9981 11.2349 11.2349 11.2739 11.2739 11.4129 11.4129 11.4325 11.4325 12.0389 12.0389 12.0673 12.0673 12.1708 12.1708 k = 0.1204 0.2085 0.6401 ( 11684 PWs) bands (ev): -80.4417 -80.4417 -80.4417 -80.4417 -46.1129 -46.1129 -46.1129 -46.1129 -44.3809 -44.3809 -44.3809 -44.3809 -44.3709 -44.3709 -44.3709 -44.3709 6.9523 6.9523 6.9527 6.9527 7.6017 7.6017 7.6035 7.6035 8.1976 8.1976 8.2008 8.2008 8.3197 8.3197 8.3249 8.3249 9.4902 9.4902 9.5021 9.5021 9.5131 9.5131 9.5266 9.5266 9.5769 9.5769 9.5776 9.5776 10.4263 10.4263 10.4353 10.4353 10.8221 10.8221 10.8731 10.8731 10.9869 10.9869 11.0173 11.0173 11.2198 11.2198 11.2598 11.2598 11.3969 11.3969 11.4185 11.4185 12.1083 12.1083 12.1326 12.1326 12.2646 12.2646 k = 0.1111 0.1925 0.6401 ( 11680 PWs) bands (ev): -80.4416 -80.4416 -80.4416 -80.4416 -46.1129 -46.1129 -46.1129 -46.1129 -44.3809 -44.3809 -44.3809 -44.3809 -44.3709 -44.3709 -44.3709 -44.3709 6.9144 6.9144 6.9147 6.9147 7.5662 7.5662 7.5676 7.5676 8.1851 8.1851 8.1881 8.1881 8.2897 8.2897 8.2943 8.2943 9.4824 9.4824 9.4930 9.4930 9.5022 9.5022 9.5143 9.5143 9.5642 9.5642 9.5649 9.5649 10.4657 10.4657 10.4748 10.4748 10.8436 10.8436 10.8955 10.8955 11.0021 11.0021 11.0329 11.0329 11.2062 11.2062 11.2465 11.2465 11.3777 11.3777 11.4009 11.4009 12.1811 12.1811 12.2012 12.2012 12.3610 12.3610 k = 0.1019 0.1764 0.6401 ( 11682 PWs) bands (ev): -80.4416 -80.4416 -80.4416 -80.4416 -46.1129 -46.1129 -46.1129 -46.1129 -44.3809 -44.3809 -44.3809 -44.3809 -44.3709 -44.3709 -44.3709 -44.3709 6.8790 6.8790 6.8793 6.8793 7.5327 7.5327 7.5338 7.5338 8.1733 8.1733 8.1760 8.1760 8.2617 8.2617 8.2657 8.2657 9.4747 9.4747 9.4839 9.4839 9.4919 9.4919 9.5023 9.5023 9.5520 9.5520 9.5528 9.5528 10.5051 10.5051 10.5141 10.5141 10.8631 10.8631 10.9157 10.9157 11.0128 11.0128 11.0444 11.0444 11.1955 11.1955 11.2354 11.2354 11.3573 11.3573 11.3815 11.3815 12.2530 12.2530 12.2689 12.2689 12.4593 12.4593 k = 0.0926 0.1604 0.6401 ( 11674 PWs) bands (ev): -80.4416 -80.4416 -80.4416 -80.4416 -46.1128 -46.1128 -46.1128 -46.1128 -44.3809 -44.3809 -44.3809 -44.3809 -44.3709 -44.3709 -44.3709 -44.3709 6.8462 6.8462 6.8464 6.8464 7.5014 7.5014 7.5022 7.5022 8.1624 8.1624 8.1648 8.1648 8.2358 8.2358 8.2392 8.2392 9.4675 9.4675 9.4751 9.4751 9.4825 9.4825 9.4910 9.4910 9.5409 9.5409 9.5414 9.5414 10.5443 10.5443 10.5532 10.5532 10.8804 10.8804 10.9333 10.9333 11.0186 11.0186 11.0517 11.0517 11.1892 11.1892 11.2276 11.2276 11.3366 11.3366 11.3614 11.3614 12.3197 12.3197 12.3315 12.3315 12.5590 12.5590 k = 0.0833 0.1443 0.6401 ( 11674 PWs) bands (ev): -80.4416 -80.4416 -80.4416 -80.4416 -46.1128 -46.1128 -46.1128 -46.1128 -44.3809 -44.3809 -44.3809 -44.3809 -44.3708 -44.3708 -44.3708 -44.3708 6.8162 6.8162 6.8163 6.8163 7.4724 7.4724 7.4730 7.4730 8.1522 8.1522 8.1544 8.1544 8.2120 8.2120 8.2149 8.2149 9.4604 9.4604 9.4666 9.4666 9.4736 9.4736 9.4804 9.4804 9.5305 9.5305 9.5309 9.5309 10.5832 10.5832 10.5918 10.5918 10.8951 10.8951 10.9476 10.9476 11.0195 11.0195 11.0543 11.0543 11.1874 11.1874 11.2231 11.2231 11.3167 11.3167 11.3415 11.3415 12.3776 12.3776 12.3856 12.3856 12.6592 12.6592 k = 0.0741 0.1283 0.6401 ( 11658 PWs) bands (ev): -80.4414 -80.4414 -80.4414 -80.4414 -46.1128 -46.1128 -46.1128 -46.1128 -44.3809 -44.3809 -44.3809 -44.3809 -44.3708 -44.3708 -44.3708 -44.3708 6.7890 6.7890 6.7891 6.7891 7.4461 7.4461 7.4465 7.4465 8.1431 8.1431 8.1450 8.1450 8.1906 8.1906 8.1930 8.1930 9.4540 9.4540 9.4588 9.4588 9.4655 9.4655 9.4709 9.4709 9.5213 9.5213 9.5216 9.5216 10.6217 10.6217 10.6299 10.6299 10.9072 10.9072 10.9581 10.9581 11.0168 11.0168 11.0528 11.0528 11.1899 11.1899 11.2221 11.2221 11.2984 11.2984 11.3226 11.3226 12.4242 12.4242 12.4293 12.4293 12.7591 12.7595 k = 0.0648 0.1123 0.6401 ( 11654 PWs) bands (ev): -80.4414 -80.4414 -80.4414 -80.4414 -46.1128 -46.1128 -46.1128 -46.1128 -44.3809 -44.3809 -44.3809 -44.3809 -44.3708 -44.3708 -44.3708 -44.3708 6.7647 6.7647 6.7648 6.7648 7.4224 7.4224 7.4227 7.4227 8.1348 8.1348 8.1365 8.1365 8.1715 8.1715 8.1735 8.1735 9.4480 9.4480 9.4516 9.4516 9.4581 9.4581 9.4620 9.4620 9.5129 9.5129 9.5132 9.5132 10.6593 10.6593 10.6670 10.6670 10.9165 10.9165 10.9638 10.9638 11.0124 11.0124 11.0477 11.0477 11.1951 11.1951 11.2234 11.2234 11.2817 11.2817 11.3047 11.3047 12.4591 12.4591 12.4620 12.4620 12.8573 12.8574 k = 0.0556 0.0962 0.6401 ( 11654 PWs) bands (ev): -80.4414 -80.4414 -80.4414 -80.4414 -46.1128 -46.1128 -46.1128 -46.1128 -44.3808 -44.3808 -44.3808 -44.3808 -44.3708 -44.3708 -44.3708 -44.3708 6.7435 6.7435 6.7435 6.7435 7.4016 7.4016 7.4018 7.4018 8.1275 8.1275 8.1289 8.1289 8.1548 8.1548 8.1564 8.1564 9.4425 9.4425 9.4450 9.4450 9.4515 9.4515 9.4543 9.4543 9.5056 9.5056 9.5058 9.5058 10.6959 10.6959 10.7029 10.7029 10.9232 10.9232 10.9644 10.9644 11.0078 11.0078 11.0396 11.0396 11.2020 11.2020 11.2262 11.2262 11.2672 11.2672 11.2884 11.2884 12.4836 12.4836 12.4851 12.4851 12.9520 12.9520 k = 0.0463 0.0802 0.6401 ( 11654 PWs) bands (ev): -80.4414 -80.4414 -80.4414 -80.4414 -46.1128 -46.1128 -46.1128 -46.1128 -44.3809 -44.3809 -44.3809 -44.3809 -44.3708 -44.3708 -44.3708 -44.3708 6.7254 6.7254 6.7254 6.7254 7.3839 7.3839 7.3840 7.3840 8.1211 8.1211 8.1223 8.1223 8.1407 8.1407 8.1420 8.1420 9.4377 9.4377 9.4393 9.4393 9.4458 9.4458 9.4476 9.4476 9.4993 9.4993 9.4995 9.4995 10.7312 10.7312 10.7372 10.7372 10.9278 10.9278 10.9607 10.9607 11.0034 11.0034 11.0291 11.0291 11.2093 11.2093 11.2294 11.2294 11.2553 11.2553 11.2739 11.2739 12.4999 12.4999 12.5006 12.5006 13.0409 13.0412 k = 0.0370 0.0642 0.6401 ( 11666 PWs) bands (ev): -80.4415 -80.4415 -80.4415 -80.4415 -46.1128 -46.1128 -46.1128 -46.1128 -44.3809 -44.3809 -44.3809 -44.3809 -44.3708 -44.3708 -44.3708 -44.3708 6.7105 6.7105 6.7105 6.7105 7.3692 7.3692 7.3692 7.3692 8.1158 8.1158 8.1166 8.1166 8.1292 8.1292 8.1301 8.1301 9.4335 9.4335 9.4344 9.4344 9.4409 9.4409 9.4419 9.4419 9.4941 9.4941 9.4941 9.4941 10.7645 10.7645 10.7692 10.7692 10.9307 10.9307 10.9542 10.9542 10.9981 10.9981 11.0164 11.0164 11.2161 11.2161 11.2322 11.2322 11.2461 11.2461 11.2614 11.2614 12.5102 12.5102 12.5105 12.5105 13.1209 13.1209 k = 0.0278 0.0481 0.6401 ( 11668 PWs) bands (ev): -80.4415 -80.4415 -80.4415 -80.4415 -46.1128 -46.1128 -46.1128 -46.1128 -44.3809 -44.3809 -44.3809 -44.3809 -44.3708 -44.3708 -44.3708 -44.3708 6.6989 6.6989 6.6989 6.6989 7.3576 7.3576 7.3577 7.3577 8.1115 8.1115 8.1120 8.1120 8.1206 8.1206 8.1212 8.1212 9.4300 9.4300 9.4304 9.4304 9.4371 9.4371 9.4375 9.4375 9.4899 9.4899 9.4899 9.4899 10.7953 10.7953 10.7984 10.7984 10.9324 10.9324 10.9466 10.9466 10.9915 10.9915 11.0024 11.0024 11.2228 11.2228 11.2346 11.2346 11.2400 11.2400 11.2516 11.2516 12.5164 12.5164 12.5165 12.5165 13.1879 13.1880 k = 0.0185 0.0321 0.6401 ( 11660 PWs) bands (ev): -80.4415 -80.4415 -80.4415 -80.4415 -46.1128 -46.1128 -46.1128 -46.1128 -44.3809 -44.3809 -44.3809 -44.3809 -44.3708 -44.3708 -44.3708 -44.3708 6.6905 6.6905 6.6905 6.6905 7.3494 7.3494 7.3494 7.3494 8.1080 8.1080 8.1082 8.1082 8.1149 8.1149 8.1151 8.1151 9.4278 9.4278 9.4279 9.4279 9.4344 9.4344 9.4345 9.4345 9.4871 9.4871 9.4871 9.4871 10.8220 10.8220 10.8235 10.8235 10.9329 10.9329 10.9390 10.9390 10.9841 10.9841 10.9887 10.9887 11.2284 11.2284 11.2352 11.2352 11.2373 11.2373 11.2441 11.2441 12.5200 12.5200 12.5201 12.5201 13.2384 13.2386 k = 0.0093 0.0160 0.6401 ( 11654 PWs) bands (ev): -80.4414 -80.4414 -80.4414 -80.4414 -46.1128 -46.1128 -46.1128 -46.1128 -44.3809 -44.3809 -44.3809 -44.3809 -44.3708 -44.3708 -44.3708 -44.3708 6.6855 6.6855 6.6855 6.6855 7.3444 7.3444 7.3444 7.3444 8.1056 8.1056 8.1056 8.1056 8.1119 8.1119 8.1119 8.1119 9.4263 9.4263 9.4263 9.4263 9.4328 9.4328 9.4328 9.4328 9.4853 9.4853 9.4854 9.4854 10.8415 10.8415 10.8418 10.8418 10.9318 10.9318 10.9329 10.9329 10.9777 10.9777 10.9785 10.9785 11.2328 11.2328 11.2345 11.2345 11.2371 11.2371 11.2388 11.2388 12.5218 12.5218 12.5218 12.5218 13.2700 13.2700 k = 0.0000 0.0000 0.6401 ( 11642 PWs) bands (ev): -80.4413 -80.4413 -80.4413 -80.4413 -46.1127 -46.1127 -46.1127 -46.1127 -44.3809 -44.3809 -44.3809 -44.3809 -44.3707 -44.3707 -44.3707 -44.3707 6.6839 6.6839 6.6839 6.6839 7.3427 7.3427 7.3427 7.3427 8.1047 8.1047 8.1047 8.1047 8.1109 8.1109 8.1109 8.1109 9.4260 9.4260 9.4260 9.4260 9.4325 9.4325 9.4325 9.4325 9.4850 9.4850 9.4850 9.4850 10.8490 10.8490 10.8490 10.8490 10.9307 10.9307 10.9307 10.9307 10.9750 10.9750 10.9750 10.9750 11.2349 11.2349 11.2349 11.2349 11.2362 11.2362 11.2362 11.2362 12.5224 12.5224 12.5224 12.5224 13.2807 13.2807 k = 0.5000 0.2887 0.6401 ( 11708 PWs) bands (ev): -80.4419 -80.4419 -80.4419 -80.4419 -46.1130 -46.1130 -46.1130 -46.1130 -44.3810 -44.3810 -44.3810 -44.3810 -44.3711 -44.3711 -44.3711 -44.3711 7.6275 7.6275 7.6275 7.6275 8.0350 8.0350 8.0350 8.0350 8.4921 8.4921 8.4921 8.4921 8.7937 8.7937 8.7937 8.7937 9.5470 9.5470 9.5470 9.5470 9.7285 9.7285 9.7285 9.7285 9.8026 9.8026 9.8026 9.8026 9.8379 9.8379 9.8379 9.8379 10.5069 10.5069 10.5069 10.5069 10.7701 10.7701 10.7701 10.7701 10.7928 10.7928 10.7928 10.7928 11.2602 11.2602 11.2602 11.2602 11.4797 11.4797 11.4797 11.4797 12.2520 12.2520 k = 0.5000 0.2887 0.6213 ( 11696 PWs) bands (ev): -80.4418 -80.4418 -80.4417 -80.4417 -46.1130 -46.1130 -46.1129 -46.1129 -44.3809 -44.3809 -44.3809 -44.3809 -44.3710 -44.3710 -44.3710 -44.3710 7.5888 7.5888 7.6553 7.6553 8.0038 8.0038 8.0735 8.0735 8.4864 8.4864 8.5030 8.5030 8.7900 8.7900 8.7975 8.7975 9.5332 9.5332 9.5555 9.5555 9.7181 9.7181 9.7359 9.7359 9.7857 9.7857 9.8067 9.8067 9.8387 9.8387 9.8521 9.8521 10.4964 10.4964 10.5197 10.5197 10.7521 10.7521 10.7687 10.7687 10.7837 10.7837 10.8119 10.8119 11.2493 11.2493 11.2817 11.2817 11.4590 11.4590 11.4994 11.4994 12.2471 12.2472 k = 0.5000 0.2887 0.6025 ( 11696 PWs) bands (ev): -80.4418 -80.4418 -80.4417 -80.4417 -46.1129 -46.1129 -46.1129 -46.1129 -44.3809 -44.3809 -44.3809 -44.3809 -44.3710 -44.3710 -44.3710 -44.3710 7.5434 7.5434 7.6668 7.6668 7.9856 7.9856 8.1146 8.1146 8.4865 8.4865 8.5186 8.5186 8.7863 8.7863 8.8011 8.8011 9.5150 9.5150 9.5576 9.5576 9.7040 9.7040 9.7390 9.7390 9.7633 9.7633 9.8036 9.8036 9.8516 9.8516 9.8697 9.8697 10.4882 10.4882 10.5341 10.5341 10.7294 10.7294 10.7437 10.7437 10.7849 10.7849 10.8306 10.8306 11.2498 11.2498 11.3113 11.3113 11.4384 11.4384 11.5171 11.5171 12.2408 12.2408 k = 0.5000 0.2887 0.5836 ( 11704 PWs) bands (ev): -80.4419 -80.4419 -80.4417 -80.4417 -46.1130 -46.1130 -46.1129 -46.1129 -44.3810 -44.3810 -44.3809 -44.3809 -44.3711 -44.3711 -44.3710 -44.3710 7.4939 7.4939 7.6585 7.6585 7.9838 7.9838 8.1548 8.1548 8.4933 8.4933 8.5387 8.5387 8.7825 8.7825 8.8044 8.8044 9.4938 9.4938 9.5524 9.5524 9.6861 9.6861 9.7324 9.7324 9.7457 9.7457 9.8040 9.8040 9.8660 9.8660 9.8867 9.8867 10.4823 10.4823 10.5499 10.5499 10.7005 10.7005 10.7199 10.7199 10.7746 10.7746 10.8502 10.8502 11.2612 11.2612 11.3467 11.3467 11.4192 11.4192 11.5321 11.5321 12.2327 12.2327 k = 0.5000 0.2887 0.5648 ( 11702 PWs) bands (ev): -80.4419 -80.4419 -80.4417 -80.4417 -46.1130 -46.1130 -46.1129 -46.1129 -44.3809 -44.3809 -44.3809 -44.3809 -44.3711 -44.3711 -44.3710 -44.3710 7.4419 7.4419 7.6326 7.6326 7.9965 7.9965 8.1912 8.1912 8.5078 8.5078 8.5629 8.5629 8.7793 8.7793 8.8076 8.8076 9.4706 9.4706 9.5413 9.5413 9.6644 9.6644 9.7070 9.7070 9.7453 9.7453 9.8066 9.8066 9.8796 9.8796 9.9024 9.9024 10.4791 10.4791 10.5662 10.5662 10.6672 10.6672 10.6985 10.6985 10.7550 10.7550 10.8708 10.8708 11.2814 11.2814 11.3822 11.3822 11.4063 11.4063 11.5441 11.5441 12.2229 12.2229 k = 0.5000 0.2887 0.5460 ( 11706 PWs) bands (ev): -80.4419 -80.4419 -80.4418 -80.4418 -46.1130 -46.1130 -46.1130 -46.1130 -44.3810 -44.3810 -44.3810 -44.3810 -44.3711 -44.3711 -44.3710 -44.3710 7.3887 7.3887 7.5945 7.5945 8.0181 8.0181 8.2221 8.2221 8.5307 8.5307 8.5910 8.5910 8.7763 8.7763 8.8106 8.8106 9.4462 9.4462 9.5251 9.5251 9.6395 9.6395 9.6787 9.6787 9.7477 9.7477 9.8091 9.8091 9.8910 9.8910 9.9161 9.9161 10.4784 10.4784 10.5822 10.5822 10.6332 10.6332 10.6786 10.6786 10.7284 10.7284 10.8917 10.8917 11.3074 11.3074 11.3822 11.3822 11.4349 11.4349 11.5534 11.5534 12.2109 12.2109 k = 0.5000 0.2887 0.5272 ( 11710 PWs) bands (ev): -80.4420 -80.4420 -80.4418 -80.4418 -46.1130 -46.1130 -46.1130 -46.1130 -44.3810 -44.3810 -44.3810 -44.3810 -44.3711 -44.3711 -44.3710 -44.3710 7.3349 7.3349 7.5493 7.5493 8.0436 8.0436 8.2466 8.2466 8.5617 8.5617 8.6224 8.6224 8.7738 8.7738 8.8133 8.8133 9.4214 9.4214 9.5053 9.5053 9.6122 9.6122 9.6500 9.6500 9.7508 9.7508 9.8106 9.8106 9.8993 9.8993 9.9278 9.9278 10.4798 10.4798 10.5942 10.5942 10.6016 10.6016 10.6618 10.6618 10.6972 10.6972 10.9127 10.9127 11.3355 11.3355 11.3730 11.3730 11.4792 11.4792 11.5607 11.5607 12.1958 12.1958 k = 0.5000 0.2887 0.5083 ( 11702 PWs) bands (ev): -80.4419 -80.4419 -80.4417 -80.4417 -46.1130 -46.1130 -46.1129 -46.1129 -44.3810 -44.3810 -44.3810 -44.3810 -44.3711 -44.3711 -44.3710 -44.3710 7.2811 7.2811 7.5003 7.5003 8.0700 8.0700 8.2654 8.2654 8.5993 8.5993 8.6565 8.6565 8.7722 8.7722 8.8156 8.8156 9.3971 9.3971 9.4833 9.4833 9.5831 9.5831 9.6218 9.6218 9.7537 9.7537 9.8099 9.8099 9.9033 9.9033 9.9391 9.9391 10.4835 10.4835 10.5701 10.5701 10.5999 10.5999 10.6526 10.6526 10.6654 10.6654 10.9336 10.9336 11.3518 11.3518 11.3802 11.3802 11.5252 11.5252 11.5672 11.5672 12.1770 12.1770 k = 0.5000 0.2887 0.4895 ( 11706 PWs) bands (ev): -80.4419 -80.4419 -80.4418 -80.4418 -46.1130 -46.1130 -46.1129 -46.1129 -44.3810 -44.3810 -44.3810 -44.3810 -44.3711 -44.3711 -44.3710 -44.3710 7.2278 7.2278 7.4492 7.4492 8.0955 8.0955 8.2797 8.2797 8.6413 8.6413 8.6919 8.6919 8.7720 8.7720 8.8176 8.8176 9.3735 9.3735 9.4602 9.4602 9.5528 9.5528 9.5941 9.5941 9.7557 9.7557 9.8070 9.8070 9.9018 9.9018 9.9493 9.9493 10.4884 10.4884 10.5447 10.5447 10.5896 10.5896 10.6252 10.6252 10.6642 10.6642 10.9541 10.9541 11.3496 11.3496 11.4096 11.4096 11.5647 11.5647 11.5807 11.5807 12.1534 12.1534 k = 0.5000 0.2887 0.4707 ( 11696 PWs) bands (ev): -80.4418 -80.4418 -80.4417 -80.4417 -46.1130 -46.1130 -46.1129 -46.1129 -44.3809 -44.3809 -44.3809 -44.3809 -44.3711 -44.3711 -44.3710 -44.3710 7.1753 7.1753 7.3972 7.3972 8.1195 8.1195 8.2909 8.2909 8.6848 8.6848 8.7256 8.7256 8.7758 8.7758 8.8197 8.8197 9.3520 9.3520 9.4372 9.4372 9.5221 9.5221 9.5673 9.5673 9.7567 9.7567 9.8012 9.8012 9.8942 9.8942 9.9598 9.9598 10.4938 10.4938 10.5252 10.5252 10.5718 10.5718 10.5891 10.5891 10.6794 10.6794 10.9740 10.9740 11.3466 11.3466 11.4425 11.4425 11.5758 11.5758 11.6236 11.6236 12.1250 12.1250 k = 0.5000 0.2887 0.4519 ( 11708 PWs) bands (ev): -80.4419 -80.4419 -80.4418 -80.4418 -46.1130 -46.1130 -46.1129 -46.1129 -44.3810 -44.3810 -44.3809 -44.3809 -44.3711 -44.3711 -44.3710 -44.3710 7.1238 7.1238 7.3451 7.3451 8.1414 8.1414 8.3000 8.3000 8.7257 8.7257 8.7504 8.7504 8.7909 8.7909 8.8219 8.8219 9.3331 9.3331 9.4141 9.4141 9.4914 9.4914 9.5414 9.5414 9.7558 9.7558 9.7925 9.7925 9.8805 9.8805 9.9700 9.9700 10.4954 10.4954 10.5146 10.5146 10.5516 10.5516 10.5537 10.5537 10.6979 10.6979 10.9927 10.9927 11.3452 11.3452 11.4756 11.4756 11.5839 11.5839 11.6709 11.6709 12.0911 12.0911 k = 0.5000 0.2887 0.4330 ( 11734 PWs) bands (ev): -80.4422 -80.4422 -80.4421 -80.4421 -46.1131 -46.1131 -46.1130 -46.1130 -44.3811 -44.3811 -44.3810 -44.3810 -44.3711 -44.3711 -44.3710 -44.3710 7.0735 7.0735 7.2932 7.2932 8.1613 8.1613 8.3080 8.3080 8.7483 8.7483 8.7754 8.7754 8.8154 8.8154 8.8287 8.8287 9.3187 9.3187 9.3923 9.3923 9.4618 9.4618 9.5163 9.5163 9.7533 9.7533 9.7809 9.7809 9.8611 9.8611 9.9801 9.9801 10.4888 10.4888 10.5064 10.5064 10.5283 10.5283 10.5324 10.5324 10.7180 10.7180 11.0101 11.0101 11.3454 11.3454 11.5078 11.5078 11.5939 11.5939 11.7179 11.7179 12.0518 12.0518 k = 0.5000 0.2887 0.4142 ( 11724 PWs) bands (ev): -80.4420 -80.4420 -80.4420 -80.4420 -46.1130 -46.1130 -46.1130 -46.1130 -44.3810 -44.3810 -44.3810 -44.3810 -44.3711 -44.3711 -44.3710 -44.3710 7.0248 7.0248 7.2420 7.2420 8.1792 8.1792 8.3154 8.3154 8.7535 8.7535 8.8040 8.8040 8.8265 8.8265 8.8572 8.8572 9.3103 9.3103 9.3723 9.3723 9.4347 9.4347 9.4923 9.4923 9.7489 9.7489 9.7677 9.7677 9.8383 9.8383 9.9909 9.9909 10.4675 10.4675 10.4914 10.4914 10.5118 10.5118 10.5335 10.5335 10.7394 10.7394 11.0261 11.0261 11.3466 11.3466 11.5390 11.5390 11.6068 11.6068 11.7647 11.7647 12.0086 12.0086 k = 0.5000 0.2887 0.3954 ( 11718 PWs) bands (ev): -80.4420 -80.4420 -80.4419 -80.4419 -46.1130 -46.1130 -46.1130 -46.1130 -44.3810 -44.3810 -44.3810 -44.3810 -44.3711 -44.3711 -44.3710 -44.3710 6.9776 6.9776 7.1918 7.1918 8.1950 8.1950 8.3225 8.3225 8.7559 8.7559 8.8143 8.8143 8.8456 8.8456 8.8888 8.8888 9.3082 9.3082 9.3537 9.3537 9.4117 9.4117 9.4696 9.4696 9.7402 9.7402 9.7529 9.7529 9.8137 9.8137 10.0017 10.0017 10.4331 10.4331 10.4847 10.4847 10.4979 10.4979 10.5429 10.5429 10.7616 10.7616 11.0403 11.0403 11.3484 11.3484 11.5690 11.5690 11.6231 11.6231 11.8105 11.8105 11.9620 11.9620 k = 0.5000 0.2887 0.3765 ( 11718 PWs) bands (ev): -80.4420 -80.4420 -80.4419 -80.4419 -46.1130 -46.1130 -46.1130 -46.1130 -44.3810 -44.3810 -44.3810 -44.3810 -44.3711 -44.3711 -44.3710 -44.3710 6.9321 6.9321 7.1427 7.1427 8.2088 8.2088 8.3297 8.3297 8.7577 8.7577 8.8162 8.8162 8.8642 8.8642 8.9172 8.9172 9.3099 9.3099 9.3389 9.3389 9.3949 9.3949 9.4482 9.4482 9.7240 9.7240 9.7381 9.7381 9.7908 9.7908 10.0124 10.0124 10.3969 10.3969 10.4709 10.4709 10.4975 10.4975 10.5532 10.5532 10.7847 10.7847 11.0526 11.0526 11.3503 11.3503 11.5978 11.5978 11.6430 11.6431 11.8543 11.8543 11.9142 11.9142 k = 0.5000 0.2887 0.3577 ( 11720 PWs) bands (ev): -80.4420 -80.4420 -80.4420 -80.4420 -46.1130 -46.1130 -46.1130 -46.1130 -44.3810 -44.3810 -44.3810 -44.3810 -44.3711 -44.3711 -44.3710 -44.3710 6.8885 6.8885 7.0949 7.0949 8.2207 8.2207 8.3371 8.3371 8.7598 8.7598 8.8162 8.8162 8.8748 8.8748 8.9411 8.9411 9.3017 9.3017 9.3402 9.3402 9.3865 9.3865 9.4283 9.4283 9.6997 9.6997 9.7221 9.7221 9.7737 9.7737 10.0228 10.0228 10.3611 10.3611 10.4560 10.4560 10.5034 10.5034 10.5632 10.5632 10.8083 10.8083 11.0630 11.0630 11.3519 11.3519 11.6254 11.6254 11.6667 11.6667 11.8566 11.8566 11.9049 11.9049 k = 0.5000 0.2887 0.3389 ( 11720 PWs) bands (ev): -80.4420 -80.4420 -80.4419 -80.4419 -46.1130 -46.1130 -46.1130 -46.1130 -44.3810 -44.3810 -44.3810 -44.3810 -44.3711 -44.3711 -44.3710 -44.3710 6.8468 6.8468 7.0487 7.0487 8.2306 8.2306 8.3447 8.3447 8.7623 8.7623 8.8154 8.8154 8.8777 8.8777 8.9597 8.9597 9.2834 9.2834 9.3538 9.3538 9.3882 9.3882 9.4105 9.4105 9.6691 9.6691 9.7056 9.7056 9.7624 9.7624 10.0329 10.0329 10.3259 10.3259 10.4429 10.4429 10.5122 10.5122 10.5726 10.5726 10.8326 10.8326 11.0717 11.0717 11.3529 11.3529 11.6519 11.6519 11.6937 11.6937 11.8068 11.8068 11.9460 11.9460 k = 0.5000 0.2887 0.3201 ( 11728 PWs) bands (ev): -80.4421 -80.4421 -80.4420 -80.4420 -46.1131 -46.1131 -46.1130 -46.1130 -44.3810 -44.3810 -44.3810 -44.3810 -44.3712 -44.3712 -44.3710 -44.3710 6.8071 6.8071 7.0040 7.0040 8.2385 8.2385 8.3528 8.3528 8.7650 8.7650 8.8139 8.8139 8.8740 8.8740 8.9730 8.9730 9.2637 9.2637 9.3634 9.3634 9.3969 9.3969 9.4029 9.4029 9.6344 9.6344 9.6904 9.6904 9.7542 9.7542 10.0425 10.0425 10.2911 10.2911 10.4328 10.4328 10.5229 10.5229 10.5805 10.5805 10.8573 10.8573 11.0789 11.0789 11.3533 11.3533 11.6770 11.6770 11.7232 11.7232 11.7560 11.7560 11.9879 11.9879 k = 0.5000 0.2887 0.3012 ( 11740 PWs) bands (ev): -80.4423 -80.4423 -80.4421 -80.4421 -46.1131 -46.1131 -46.1130 -46.1130 -44.3810 -44.3810 -44.3810 -44.3810 -44.3712 -44.3712 -44.3711 -44.3711 6.7694 6.7694 6.9612 6.9612 8.2446 8.2446 8.3614 8.3614 8.7680 8.7680 8.8115 8.8115 8.8659 8.8659 8.9815 8.9815 9.2452 9.2452 9.3605 9.3605 9.3947 9.3947 9.4242 9.4242 9.5977 9.5977 9.6792 9.6792 9.7482 9.7482 10.0513 10.0513 10.2570 10.2570 10.4261 10.4261 10.5349 10.5349 10.5864 10.5864 10.8820 10.8820 11.0851 11.0851 11.3529 11.3529 11.6919 11.6919 11.7105 11.7105 11.7597 11.7597 12.0288 12.0288 k = 0.5000 0.2887 0.2824 ( 11728 PWs) bands (ev): -80.4421 -80.4421 -80.4420 -80.4420 -46.1131 -46.1131 -46.1130 -46.1130 -44.3810 -44.3810 -44.3810 -44.3810 -44.3712 -44.3712 -44.3710 -44.3710 6.7338 6.7338 6.9203 6.9203 8.2489 8.2489 8.3705 8.3705 8.7713 8.7713 8.8081 8.8081 8.8556 8.8556 8.9857 8.9857 9.2292 9.2292 9.3497 9.3497 9.4021 9.4021 9.4444 9.4444 9.5610 9.5610 9.6749 9.6749 9.7436 9.7436 10.0592 10.0592 10.2243 10.2243 10.4235 10.4235 10.5484 10.5484 10.5904 10.5904 10.9063 10.9063 11.0906 11.0906 11.3523 11.3523 11.6474 11.6474 11.7271 11.7271 11.7969 11.7969 12.0686 12.0686 k = 0.5000 0.2887 0.2636 ( 11726 PWs) bands (ev): -80.4423 -80.4423 -80.4418 -80.4418 -46.1131 -46.1131 -46.1130 -46.1130 -44.3811 -44.3811 -44.3809 -44.3809 -44.3712 -44.3712 -44.3710 -44.3710 6.7004 6.7004 6.8814 6.8814 8.2514 8.2514 8.3801 8.3801 8.7743 8.7743 8.8034 8.8034 8.8453 8.8453 8.9863 8.9863 9.2161 9.2161 9.3374 9.3374 9.4112 9.4112 9.4586 9.4586 9.5245 9.5245 9.6798 9.6798 9.7398 9.7398 10.0655 10.0655 10.1922 10.1922 10.4252 10.4252 10.5620 10.5620 10.5922 10.5922 10.9297 10.9297 11.0956 11.0956 11.3517 11.3517 11.5975 11.5975 11.7485 11.7485 11.8374 11.8374 12.1071 12.1071 k = 0.5000 0.2887 0.2448 ( 11710 PWs) bands (ev): -80.4422 -80.4422 -80.4416 -80.4416 -46.1131 -46.1131 -46.1129 -46.1129 -44.3810 -44.3810 -44.3809 -44.3809 -44.3712 -44.3712 -44.3710 -44.3710 6.6692 6.6692 6.8446 6.8446 8.2523 8.2523 8.3903 8.3903 8.7759 8.7759 8.7971 8.7971 8.8369 8.8369 8.9842 8.9842 9.2067 9.2067 9.3255 9.3255 9.4171 9.4171 9.4676 9.4676 9.4890 9.4890 9.6938 9.6938 9.7378 9.7378 10.0701 10.0701 10.1620 10.1620 10.4320 10.4320 10.5734 10.5734 10.5939 10.5939 10.9513 10.9513 11.1008 11.1008 11.3519 11.3519 11.5485 11.5485 11.7691 11.7691 11.8806 11.8806 12.1439 12.1439 k = 0.5000 0.2887 0.2259 ( 11722 PWs) bands (ev): -80.4423 -80.4423 -80.4418 -80.4418 -46.1131 -46.1131 -46.1130 -46.1130 -44.3811 -44.3811 -44.3809 -44.3809 -44.3712 -44.3712 -44.3710 -44.3710 6.6402 6.6402 6.8101 6.8101 8.2519 8.2519 8.4009 8.4009 8.7718 8.7718 8.7930 8.7930 8.8309 8.8309 8.9795 8.9795 9.2009 9.2009 9.3145 9.3145 9.4147 9.4147 9.4549 9.4549 9.4757 9.4757 9.7127 9.7127 9.7387 9.7387 10.0721 10.0721 10.1331 10.1331 10.4434 10.4434 10.5754 10.5754 10.6020 10.6020 10.9698 10.9698 11.1060 11.1060 11.3535 11.3535 11.5008 11.5008 11.7884 11.7884 11.9257 11.9257 12.1768 12.1768 k = 0.5000 0.2887 0.2071 ( 11718 PWs) bands (ev): -80.4423 -80.4423 -80.4417 -80.4417 -46.1131 -46.1131 -46.1129 -46.1129 -44.3810 -44.3810 -44.3809 -44.3809 -44.3712 -44.3712 -44.3710 -44.3710 6.6134 6.6134 6.7780 6.7780 8.2502 8.2502 8.4122 8.4122 8.7602 8.7602 8.7941 8.7941 8.8275 8.8275 8.9731 8.9731 9.1987 9.1987 9.3051 9.3051 9.4032 9.4032 9.4242 9.4242 9.4854 9.4854 9.7255 9.7255 9.7509 9.7509 10.0713 10.0713 10.1073 10.1073 10.4596 10.4596 10.5688 10.5688 10.6162 10.6162 10.9843 10.9843 11.1115 11.1115 11.3580 11.3580 11.4553 11.4553 11.8070 11.8070 11.9721 11.9721 12.1690 12.1690 k = 0.5000 0.2887 0.1883 ( 11716 PWs) bands (ev): -80.4423 -80.4423 -80.4416 -80.4416 -46.1131 -46.1131 -46.1129 -46.1129 -44.3811 -44.3811 -44.3809 -44.3809 -44.3712 -44.3712 -44.3710 -44.3710 6.5889 6.5889 6.7484 6.7484 8.2476 8.2476 8.4238 8.4238 8.7451 8.7451 8.7974 8.7974 8.8254 8.8254 8.9655 8.9655 9.1997 9.1997 9.2973 9.2973 9.3822 9.3822 9.3997 9.3997 9.4961 9.4961 9.7291 9.7291 9.7747 9.7747 10.0633 10.0633 10.0884 10.0884 10.4800 10.4800 10.5577 10.5577 10.6325 10.6325 10.9936 10.9936 11.1174 11.1174 11.3651 11.3651 11.4129 11.4129 11.8247 11.8247 12.0191 12.0191 12.1504 12.1504 k = 0.5000 0.2887 0.1694 ( 11702 PWs) bands (ev): -80.4422 -80.4422 -80.4414 -80.4414 -46.1131 -46.1131 -46.1129 -46.1129 -44.3810 -44.3810 -44.3809 -44.3809 -44.3712 -44.3712 -44.3709 -44.3709 6.5667 6.5667 6.7213 6.7213 8.2443 8.2443 8.4360 8.4360 8.7289 8.7289 8.8011 8.8011 8.8245 8.8245 8.9573 8.9573 9.2033 9.2033 9.2908 9.2908 9.3561 9.3561 9.3801 9.3801 9.5068 9.5068 9.7316 9.7316 9.8004 9.8004 10.0451 10.0451 10.0804 10.0804 10.5043 10.5043 10.5441 10.5441 10.6492 10.6492 10.9969 10.9969 11.1235 11.1235 11.3607 11.3607 11.3894 11.3894 11.8415 11.8415 12.0655 12.0655 12.1320 12.1320 k = 0.5000 0.2887 0.1506 ( 11702 PWs) bands (ev): -80.4421 -80.4421 -80.4415 -80.4415 -46.1131 -46.1131 -46.1129 -46.1129 -44.3810 -44.3810 -44.3809 -44.3809 -44.3712 -44.3712 -44.3709 -44.3709 6.5468 6.5468 6.6968 6.6968 8.2406 8.2406 8.4486 8.4486 8.7122 8.7122 8.8048 8.8048 8.8238 8.8238 8.9490 8.9490 9.2088 9.2088 9.2854 9.2854 9.3304 9.3304 9.3616 9.3616 9.5163 9.5163 9.7343 9.7343 9.8249 9.8249 10.0237 10.0237 10.0762 10.0762 10.5282 10.5282 10.5319 10.5319 10.6663 10.6663 10.9938 10.9938 11.1296 11.1296 11.3260 11.3260 11.4027 11.4027 11.8576 11.8576 12.1026 12.1026 12.1218 12.1218 k = 0.5000 0.2887 0.1318 ( 11706 PWs) bands (ev): -80.4422 -80.4422 -80.4416 -80.4416 -46.1131 -46.1131 -46.1129 -46.1129 -44.3810 -44.3810 -44.3809 -44.3809 -44.3712 -44.3712 -44.3710 -44.3710 6.5293 6.5293 6.6750 6.6750 8.2367 8.2367 8.4614 8.4614 8.6956 8.6956 8.8084 8.8084 8.8236 8.8236 8.9408 8.9408 9.2155 9.2155 9.2810 9.2810 9.3068 9.3068 9.3442 9.3442 9.5246 9.5246 9.7376 9.7376 9.8471 9.8471 10.0036 10.0036 10.0725 10.0725 10.5114 10.5114 10.5618 10.5618 10.6833 10.6833 10.9845 10.9845 11.1354 11.1354 11.2898 11.2898 11.4245 11.4245 11.8730 11.8730 12.0911 12.0911 12.1584 12.1584 k = 0.5000 0.2887 0.1130 ( 11710 PWs) bands (ev): -80.4421 -80.4421 -80.4417 -80.4417 -46.1131 -46.1131 -46.1129 -46.1129 -44.3810 -44.3810 -44.3809 -44.3809 -44.3712 -44.3712 -44.3710 -44.3710 6.5140 6.5140 6.6560 6.6560 8.2329 8.2329 8.4745 8.4745 8.6793 8.6793 8.8115 8.8115 8.8237 8.8237 8.9331 8.9331 9.2227 9.2227 9.2772 9.2772 9.2863 9.2863 9.3279 9.3279 9.5313 9.5313 9.7414 9.7414 9.8665 9.8665 9.9859 9.9859 10.0688 10.0688 10.4940 10.4940 10.5935 10.5935 10.7002 10.7002 10.9699 10.9699 11.1409 11.1409 11.2562 11.2562 11.4496 11.4496 11.8879 11.8879 12.0733 12.0733 12.1989 12.1989 k = 0.5000 0.2887 0.0941 ( 11724 PWs) bands (ev): -80.4424 -80.4424 -80.4417 -80.4417 -46.1132 -46.1132 -46.1129 -46.1129 -44.3811 -44.3811 -44.3809 -44.3809 -44.3712 -44.3712 -44.3710 -44.3710 6.5011 6.5011 6.6398 6.6398 8.2292 8.2292 8.4876 8.4876 8.6634 8.6634 8.8143 8.8143 8.8242 8.8242 8.9261 8.9261 9.2295 9.2295 9.2669 9.2669 9.2766 9.2766 9.3134 9.3134 9.5370 9.5370 9.7456 9.7456 9.8821 9.8821 9.9700 9.9700 10.0652 10.0652 10.4774 10.4774 10.6260 10.6260 10.7163 10.7163 10.9507 10.9507 11.1456 11.1456 11.2259 11.2259 11.4763 11.4763 11.9025 11.9025 12.0556 12.0556 12.2359 12.2359 k = 0.5000 0.2887 0.0753 ( 11728 PWs) bands (ev): -80.4425 -80.4425 -80.4417 -80.4417 -46.1132 -46.1132 -46.1129 -46.1129 -44.3811 -44.3811 -44.3809 -44.3809 -44.3712 -44.3712 -44.3710 -44.3710 6.4905 6.4905 6.6265 6.6265 8.2259 8.2259 8.5004 8.5004 8.6484 8.6484 8.8166 8.8166 8.8249 8.8249 8.9201 8.9201 9.2344 9.2344 9.2538 9.2538 9.2748 9.2748 9.3011 9.3011 9.5413 9.5413 9.7497 9.7497 9.8940 9.8940 9.9585 9.9585 10.0619 10.0619 10.4622 10.4622 10.6587 10.6587 10.7318 10.7318 10.9279 10.9279 11.1495 11.1495 11.1998 11.1998 11.5025 11.5025 11.9169 11.9169 12.0384 12.0384 12.2680 12.2680 k = 0.5000 0.2887 0.0565 ( 11724 PWs) bands (ev): -80.4425 -80.4425 -80.4416 -80.4416 -46.1132 -46.1132 -46.1129 -46.1129 -44.3811 -44.3811 -44.3809 -44.3809 -44.3713 -44.3713 -44.3710 -44.3710 6.4823 6.4823 6.6161 6.6161 8.2233 8.2233 8.5127 8.5127 8.6345 8.6345 8.8184 8.8184 8.8257 8.8257 8.9154 8.9154 9.2332 9.2332 9.2488 9.2488 9.2737 9.2737 9.2914 9.2914 9.5445 9.5445 9.7537 9.7537 9.9018 9.9018 9.9515 9.9515 10.0590 10.0590 10.4494 10.4494 10.6902 10.6902 10.7466 10.7466 10.9025 10.9025 11.1528 11.1528 11.1782 11.1782 11.5263 11.5263 11.9311 11.9311 12.0217 12.0217 12.2942 12.2942 k = 0.5000 0.2887 0.0377 ( 11730 PWs) bands (ev): -80.4425 -80.4425 -80.4417 -80.4417 -46.1132 -46.1132 -46.1129 -46.1129 -44.3811 -44.3811 -44.3809 -44.3809 -44.3713 -44.3713 -44.3710 -44.3710 6.4764 6.4764 6.6086 6.6086 8.2213 8.2213 8.5236 8.5236 8.6225 8.6225 8.8196 8.8196 8.8261 8.8261 8.9120 8.9120 9.2270 9.2270 9.2508 9.2508 9.2731 9.2731 9.2839 9.2839 9.5465 9.5465 9.7569 9.7569 9.9051 9.9051 9.9485 9.9485 10.0566 10.0566 10.4396 10.4396 10.7173 10.7173 10.7623 10.7623 10.8752 10.8752 11.1549 11.1549 11.1622 11.1622 11.5451 11.5451 11.9454 11.9454 12.0055 12.0055 12.3130 12.3132 k = 0.5000 0.2887 0.0188 ( 11720 PWs) bands (ev): -80.4426 -80.4426 -80.4414 -80.4414 -46.1132 -46.1132 -46.1129 -46.1129 -44.3811 -44.3811 -44.3808 -44.3808 -44.3713 -44.3713 -44.3709 -44.3709 6.4729 6.4729 6.6041 6.6041 8.2201 8.2201 8.5316 8.5316 8.6139 8.6139 8.8204 8.8204 8.8266 8.8266 8.9100 8.9100 9.2223 9.2223 9.2530 9.2530 9.2730 9.2730 9.2799 9.2799 9.5483 9.5483 9.7589 9.7589 9.9056 9.9056 9.9478 9.9478 10.0554 10.0554 10.4336 10.4336 10.7346 10.7346 10.7820 10.7820 10.8479 10.8479 11.1509 11.1509 11.1576 11.1576 11.5578 11.5578 11.9599 11.9599 11.9900 11.9900 12.3109 12.3110 k = 0.5000 0.2887-0.0000 ( 11728 PWs) bands (ev): -80.4427 -80.4427 -80.4415 -80.4415 -46.1133 -46.1133 -46.1129 -46.1129 -44.3812 -44.3812 -44.3808 -44.3808 -44.3713 -44.3713 -44.3710 -44.3710 6.4717 6.4717 6.6026 6.6026 8.2197 8.2197 8.5347 8.5347 8.6106 8.6106 8.8207 8.8207 8.8266 8.8266 8.9091 8.9091 9.2207 9.2207 9.2538 9.2538 9.2729 9.2729 9.2784 9.2784 9.5487 9.5487 9.7595 9.7595 9.9054 9.9054 9.9478 9.9478 10.0548 10.0548 10.4315 10.4315 10.7400 10.7400 10.7973 10.7973 10.8305 10.8305 11.1475 11.1475 11.1577 11.1577 11.5621 11.5621 11.9730 11.9730 11.9765 11.9765 12.3062 12.3063 k = 0.3333 0.5774-0.0000 ( 11730 PWs) bands (ev): -80.4421 -80.4421 -80.4421 -80.4421 -46.1131 -46.1131 -46.1131 -46.1131 -44.3810 -44.3810 -44.3810 -44.3810 -44.3712 -44.3712 -44.3712 -44.3712 6.9482 6.9482 6.9603 6.9603 7.2983 7.2983 8.4745 8.4745 8.8705 8.8705 8.9546 8.9546 8.9564 8.9564 9.2538 9.2538 9.2870 9.2870 9.3835 9.3835 9.4122 9.4122 9.4510 9.4510 9.4638 9.4638 9.5198 9.5198 9.5384 9.5384 9.6852 9.6852 9.9477 9.9477 10.5475 10.5475 10.5713 10.5713 10.6845 10.6845 11.0230 11.0230 11.0424 11.0424 11.1225 11.1225 11.7112 11.7112 11.7143 11.7143 12.1194 12.1194 12.1320 12.1320 k = 0.3333 0.5774 0.0188 ( 11715 PWs) bands (ev): -80.4420 -80.4420 -80.4420 -80.4420 -46.1130 -46.1130 -46.1130 -46.1130 -44.3810 -44.3810 -44.3810 -44.3810 -44.3711 -44.3711 -44.3711 -44.3711 6.9492 6.9492 6.9613 6.9613 7.2998 7.2998 8.4755 8.4755 8.8717 8.8717 8.9554 8.9554 8.9573 8.9573 9.2535 9.2535 9.2867 9.2867 9.3832 9.3832 9.4117 9.4117 9.4516 9.4516 9.4644 9.4644 9.5204 9.5204 9.5386 9.5386 9.6841 9.6841 9.9488 9.9488 10.5437 10.5437 10.5673 10.5673 10.6830 10.6830 11.0281 11.0281 11.0467 11.0467 11.1249 11.1249 11.7058 11.7058 11.7088 11.7088 12.1259 12.1259 12.1387 12.1387 k = 0.3333 0.5774 0.0377 ( 11724 PWs) bands (ev): -80.4421 -80.4421 -80.4421 -80.4421 -46.1131 -46.1131 -46.1131 -46.1131 -44.3810 -44.3810 -44.3810 -44.3810 -44.3712 -44.3712 -44.3711 -44.3711 6.9520 6.9520 6.9642 6.9642 7.3042 7.3042 8.4779 8.4779 8.8749 8.8749 8.9580 8.9580 8.9600 8.9600 9.2530 9.2530 9.2859 9.2859 9.3811 9.3811 9.4093 9.4093 9.4527 9.4527 9.4653 9.4653 9.5217 9.5217 9.5393 9.5393 9.6803 9.6803 9.9509 9.9509 10.5322 10.5322 10.5552 10.5552 10.6785 10.6785 11.0422 11.0422 11.0589 11.0589 11.1305 11.1305 11.6905 11.6905 11.6935 11.6935 12.1445 12.1445 12.1577 12.1577 k = 0.3333 0.5774 0.0565 ( 11730 PWs) bands (ev): -80.4421 -80.4421 -80.4421 -80.4421 -46.1131 -46.1131 -46.1131 -46.1131 -44.3810 -44.3810 -44.3810 -44.3810 -44.3712 -44.3712 -44.3712 -44.3712 6.9568 6.9568 6.9689 6.9689 7.3116 7.3116 8.4822 8.4822 8.8804 8.8804 8.9622 8.9622 8.9644 8.9644 9.2518 9.2518 9.2844 9.2844 9.3778 9.3778 9.4056 9.4056 9.4547 9.4547 9.4670 9.4670 9.5241 9.5241 9.5404 9.5404 9.6742 9.6742 9.9545 9.9545 10.5147 10.5147 10.5369 10.5369 10.6713 10.6713 11.0636 11.0636 11.0775 11.0775 11.1404 11.1404 11.6679 11.6679 11.6708 11.6708 12.1724 12.1724 12.1864 12.1864 k = 0.3333 0.5774 0.0753 ( 11724 PWs) bands (ev): -80.4421 -80.4421 -80.4421 -80.4421 -46.1131 -46.1131 -46.1131 -46.1131 -44.3810 -44.3810 -44.3810 -44.3810 -44.3712 -44.3712 -44.3711 -44.3711 6.9635 6.9635 6.9756 6.9756 7.3219 7.3219 8.4883 8.4883 8.8880 8.8880 8.9680 8.9680 8.9705 8.9705 9.2504 9.2504 9.2825 9.2825 9.3734 9.3734 9.4004 9.4004 9.4575 9.4575 9.4697 9.4697 9.5276 9.5276 9.5419 9.5419 9.6657 9.6657 9.9594 9.9594 10.4930 10.4930 10.5143 10.5143 10.6623 10.6623 11.0901 11.0901 11.1009 11.1009 11.1543 11.1543 11.6405 11.6405 11.6435 11.6435 12.2066 12.2066 12.2220 12.2220 k = 0.3333 0.5774 0.0941 ( 11724 PWs) bands (ev): -80.4421 -80.4421 -80.4421 -80.4421 -46.1131 -46.1131 -46.1131 -46.1131 -44.3810 -44.3810 -44.3810 -44.3810 -44.3712 -44.3712 -44.3711 -44.3711 6.9721 6.9721 6.9842 6.9842 7.3351 7.3351 8.4960 8.4960 8.8977 8.8977 8.9754 8.9754 8.9784 8.9784 9.2483 9.2483 9.2796 9.2796 9.3678 9.3678 9.3939 9.3939 9.4607 9.4607 9.4732 9.4732 9.5321 9.5321 9.5438 9.5438 9.6548 9.6548 9.9656 9.9656 10.4685 10.4685 10.4891 10.4891 10.6517 10.6517 11.1191 11.1191 11.1267 11.1267 11.1716 11.1716 11.6109 11.6109 11.6140 11.6140 12.2439 12.2439 12.2615 12.2615 k = 0.3333 0.5774 0.1130 ( 11748 PWs) bands (ev): -80.4423 -80.4423 -80.4423 -80.4423 -46.1131 -46.1131 -46.1131 -46.1131 -44.3811 -44.3811 -44.3811 -44.3811 -44.3712 -44.3712 -44.3712 -44.3712 6.9825 6.9825 6.9947 6.9947 7.3511 7.3511 8.5054 8.5054 8.9093 8.9093 8.9841 8.9841 8.9876 8.9876 9.2452 9.2452 9.2754 9.2754 9.3609 9.3609 9.3861 9.3861 9.4642 9.4642 9.4776 9.4776 9.5373 9.5373 9.5463 9.5463 9.6416 9.6416 9.9718 9.9718 10.4427 10.4427 10.4627 10.4627 10.6394 10.6394 11.1487 11.1487 11.1529 11.1529 11.1924 11.1924 11.5809 11.5809 11.5841 11.5841 12.2810 12.2810 12.3015 12.3015 k = 0.3333 0.5774 0.1318 ( 11751 PWs) bands (ev): -80.4423 -80.4423 -80.4423 -80.4423 -46.1132 -46.1132 -46.1132 -46.1132 -44.3811 -44.3811 -44.3811 -44.3811 -44.3712 -44.3712 -44.3712 -44.3712 6.9949 6.9949 7.0070 7.0070 7.3698 7.3698 8.5166 8.5166 8.9228 8.9228 8.9941 8.9941 8.9982 8.9982 9.2407 9.2407 9.2695 9.2695 9.3537 9.3537 9.3779 9.3779 9.4682 9.4682 9.4835 9.4835 9.5440 9.5440 9.5492 9.5492 9.6263 9.6263 9.9799 9.9799 10.4172 10.4172 10.4368 10.4368 10.6262 10.6262 11.1767 11.1767 11.1776 11.1776 11.2169 11.2169 11.5526 11.5526 11.5558 11.5558 12.3139 12.3139 12.3384 12.3384 k = 0.3333 0.5774 0.1506 ( 11739 PWs) bands (ev): -80.4422 -80.4422 -80.4422 -80.4422 -46.1131 -46.1131 -46.1131 -46.1131 -44.3810 -44.3810 -44.3810 -44.3810 -44.3712 -44.3712 -44.3712 -44.3712 7.0092 7.0092 7.0213 7.0213 7.3913 7.3913 8.5295 8.5295 8.9380 8.9380 9.0050 9.0050 9.0098 9.0098 9.2346 9.2346 9.2616 9.2616 9.3467 9.3467 9.3700 9.3700 9.4728 9.4728 9.4908 9.4908 9.5518 9.5518 9.5526 9.5526 9.6089 9.6089 9.9897 9.9897 10.3929 10.3929 10.4126 10.4126 10.6122 10.6122 11.1982 11.1982 11.2003 11.2003 11.2450 11.2450 11.5279 11.5279 11.5310 11.5310 12.3369 12.3369 12.3659 12.3659 k = 0.3333 0.5774 0.1694 ( 11736 PWs) bands (ev): -80.4422 -80.4422 -80.4422 -80.4422 -46.1131 -46.1131 -46.1131 -46.1131 -44.3810 -44.3810 -44.3810 -44.3810 -44.3712 -44.3712 -44.3712 -44.3712 7.0253 7.0253 7.0375 7.0375 7.4153 7.4153 8.5441 8.5441 8.9546 8.9546 9.0164 9.0164 9.0221 9.0221 9.2263 9.2263 9.2510 9.2510 9.3400 9.3400 9.3625 9.3625 9.4776 9.4776 9.4992 9.4992 9.5565 9.5565 9.5607 9.5607 9.5896 9.5896 10.0002 10.0002 10.3704 10.3704 10.3902 10.3902 10.5973 10.5973 11.2122 11.2122 11.2160 11.2160 11.2768 11.2768 11.5092 11.5092 11.5117 11.5117 12.3436 12.3436 12.3756 12.3756 k = 0.3333 0.5774 0.1883 ( 11736 PWs) bands (ev): -80.4422 -80.4422 -80.4422 -80.4422 -46.1131 -46.1131 -46.1131 -46.1131 -44.3810 -44.3810 -44.3810 -44.3810 -44.3712 -44.3712 -44.3712 -44.3712 7.0434 7.0434 7.0555 7.0555 7.4418 7.4418 8.5604 8.5604 8.9725 8.9725 9.0276 9.0276 9.0343 9.0343 9.2155 9.2155 9.2378 9.2378 9.3343 9.3343 9.3560 9.3560 9.4828 9.4828 9.5088 9.5088 9.5608 9.5608 9.5686 9.5686 9.5709 9.5709 10.0117 10.0117 10.3506 10.3506 10.3708 10.3708 10.5820 10.5820 11.2169 11.2169 11.2212 11.2212 11.3128 11.3128 11.4984 11.4984 11.4996 11.4996 12.3305 12.3305 12.3622 12.3622 k = 0.3333 0.5774 0.2071 ( 11727 PWs) bands (ev): -80.4421 -80.4421 -80.4421 -80.4421 -46.1131 -46.1131 -46.1131 -46.1131 -44.3810 -44.3810 -44.3810 -44.3810 -44.3712 -44.3712 -44.3712 -44.3712 7.0633 7.0633 7.0755 7.0755 7.4707 7.4707 8.5784 8.5784 8.9914 8.9914 9.0376 9.0376 9.0453 9.0453 9.2029 9.2029 9.2229 9.2229 9.3305 9.3305 9.3512 9.3512 9.4883 9.4883 9.5192 9.5192 9.5463 9.5463 9.5659 9.5659 9.5822 9.5822 10.0239 10.0239 10.3337 10.3337 10.3545 10.3545 10.5666 10.5666 11.2115 11.2115 11.2152 11.2152 11.3520 11.3520 11.4952 11.4952 11.4963 11.4963 12.3011 12.3011 12.3306 12.3306 k = 0.3333 0.5774 0.2259 ( 11727 PWs) bands (ev): -80.4421 -80.4421 -80.4421 -80.4421 -46.1131 -46.1131 -46.1131 -46.1131 -44.3810 -44.3810 -44.3810 -44.3810 -44.3712 -44.3712 -44.3711 -44.3711 7.0850 7.0850 7.0972 7.0972 7.5018 7.5018 8.5980 8.5980 9.0110 9.0110 9.0445 9.0445 9.0530 9.0530 9.1898 9.1898 9.2082 9.2082 9.3282 9.3282 9.3477 9.3477 9.4939 9.4939 9.5201 9.5201 9.5337 9.5337 9.5714 9.5714 9.5948 9.5948 10.0364 10.0364 10.3202 10.3202 10.3417 10.3417 10.5509 10.5509 11.1964 11.1964 11.1991 11.1991 11.3941 11.3941 11.4969 11.4969 11.5012 11.5012 12.2613 12.2613 12.2883 12.2883 k = 0.3333 0.5774 0.2448 ( 11730 PWs) bands (ev): -80.4421 -80.4421 -80.4421 -80.4421 -46.1131 -46.1131 -46.1131 -46.1131 -44.3810 -44.3810 -44.3810 -44.3810 -44.3712 -44.3712 -44.3711 -44.3711 7.1086 7.1086 7.1208 7.1208 7.5351 7.5351 8.6189 8.6189 9.0301 9.0301 9.0452 9.0452 9.0545 9.0545 9.1788 9.1788 9.1968 9.1968 9.3279 9.3279 9.3456 9.3456 9.4945 9.4945 9.5019 9.5019 9.5452 9.5452 9.5776 9.5776 9.6086 9.6086 10.0500 10.0500 10.3104 10.3104 10.3325 10.3325 10.5354 10.5354 11.1740 11.1740 11.1754 11.1754 11.4368 11.4368 11.5015 11.5015 11.5111 11.5111 12.2162 12.2162 12.2414 12.2414 k = 0.3333 0.5774 0.2636 ( 11721 PWs) bands (ev): -80.4420 -80.4420 -80.4420 -80.4420 -46.1131 -46.1131 -46.1131 -46.1131 -44.3810 -44.3810 -44.3810 -44.3810 -44.3711 -44.3711 -44.3711 -44.3711 7.1340 7.1340 7.1462 7.1462 7.5703 7.5703 8.6414 8.6414 9.0367 9.0367 9.0393 9.0393 9.0551 9.0551 9.1734 9.1734 9.1928 9.1928 9.3302 9.3302 9.3456 9.3456 9.4713 9.4713 9.5062 9.5062 9.5585 9.5585 9.5846 9.5846 9.6234 9.6234 10.0643 10.0643 10.3045 10.3045 10.3272 10.3272 10.5203 10.5203 11.1467 11.1467 11.1469 11.1469 11.4741 11.4741 11.5056 11.5056 11.5287 11.5287 12.1694 12.1694 12.1935 12.1935 k = 0.3333 0.5774 0.2824 ( 11721 PWs) bands (ev): -80.4420 -80.4420 -80.4420 -80.4420 -46.1131 -46.1131 -46.1131 -46.1131 -44.3810 -44.3810 -44.3810 -44.3810 -44.3711 -44.3711 -44.3711 -44.3711 7.1612 7.1612 7.1734 7.1734 7.6075 7.6075 8.6652 8.6652 9.0176 9.0176 9.0208 9.0208 9.0714 9.0714 9.1740 9.1740 9.1962 9.1962 9.3346 9.3346 9.3470 9.3470 9.4473 9.4473 9.5119 9.5119 9.5722 9.5722 9.5929 9.5929 9.6395 9.6395 10.0785 10.0785 10.3025 10.3025 10.3257 10.3257 10.5055 10.5055 11.1151 11.1151 11.1159 11.1159 11.4924 11.4924 11.5063 11.5063 11.5648 11.5648 12.1237 12.1237 12.1474 12.1474 k = 0.3333 0.5774 0.3012 ( 11709 PWs) bands (ev): -80.4419 -80.4419 -80.4419 -80.4419 -46.1130 -46.1130 -46.1130 -46.1130 -44.3810 -44.3810 -44.3810 -44.3810 -44.3711 -44.3711 -44.3711 -44.3711 7.1902 7.1902 7.2024 7.2024 7.6463 7.6463 8.6902 8.6902 8.9896 8.9896 8.9912 8.9912 9.0878 9.0878 9.1793 9.1793 9.2050 9.2050 9.3420 9.3420 9.3509 9.3509 9.4248 9.4248 9.5176 9.5176 9.5851 9.5851 9.6032 9.6032 9.6565 9.6565 10.0930 10.0930 10.3045 10.3045 10.3280 10.3280 10.4913 10.4913 11.0815 11.0815 11.0832 11.0832 11.4928 11.4928 11.5012 11.5012 11.6152 11.6152 12.0810 12.0810 12.1048 12.1048 k = 0.3333 0.5774 0.3201 ( 11709 PWs) bands (ev): -80.4419 -80.4419 -80.4419 -80.4419 -46.1130 -46.1130 -46.1130 -46.1130 -44.3810 -44.3810 -44.3810 -44.3810 -44.3711 -44.3711 -44.3711 -44.3711 7.2209 7.2209 7.2331 7.2331 7.6868 7.6868 8.7160 8.7160 8.9550 8.9550 8.9553 8.9553 9.1013 9.1013 9.1864 9.1864 9.2155 9.2155 9.3521 9.3521 9.3573 9.3573 9.4056 9.4056 9.5224 9.5224 9.5962 9.5962 9.6164 9.6164 9.6745 9.6745 10.1079 10.1079 10.3103 10.3103 10.3340 10.3340 10.4775 10.4775 11.0468 11.0468 11.0494 11.0494 11.4818 11.4818 11.4883 11.4883 11.6720 11.6720 12.0425 12.0425 12.0668 12.0668 k = 0.3333 0.5774 0.3389 ( 11712 PWs) bands (ev): -80.4419 -80.4419 -80.4419 -80.4419 -46.1130 -46.1130 -46.1130 -46.1130 -44.3810 -44.3810 -44.3810 -44.3810 -44.3711 -44.3711 -44.3711 -44.3711 7.2532 7.2532 7.2654 7.2654 7.7286 7.7286 8.7422 8.7422 8.9143 8.9143 8.9162 8.9162 9.1099 9.1099 9.1936 9.1936 9.2255 9.2255 9.3653 9.3653 9.3670 9.3670 9.3916 9.3916 9.5267 9.5267 9.6057 9.6057 9.6320 9.6320 9.6931 9.6931 10.1226 10.1226 10.3200 10.3200 10.3434 10.3434 10.4644 10.4644 11.0116 11.0116 11.0150 11.0150 11.4612 11.4612 11.4672 11.4672 11.7324 11.7324 12.0086 12.0086 12.0337 12.0337 k = 0.3333 0.5774 0.3577 ( 11712 PWs) bands (ev): -80.4419 -80.4419 -80.4419 -80.4419 -46.1130 -46.1130 -46.1130 -46.1130 -44.3810 -44.3810 -44.3810 -44.3810 -44.3711 -44.3711 -44.3711 -44.3711 7.2872 7.2872 7.2993 7.2993 7.7716 7.7716 8.7684 8.7684 8.8704 8.8704 8.8738 8.8738 9.1125 9.1125 9.1999 9.1999 9.2338 9.2338 9.3795 9.3795 9.3811 9.3811 9.3849 9.3849 9.5303 9.5303 9.6143 9.6143 9.6490 9.6490 9.7125 9.7125 10.1373 10.1373 10.3333 10.3333 10.3561 10.3561 10.4523 10.4523 10.9763 10.9763 10.9803 10.9803 11.4320 11.4320 11.4378 11.4378 11.7955 11.7955 11.9790 11.9790 12.0049 12.0049 k = 0.3333 0.5774 0.3765 ( 11718 PWs) bands (ev): -80.4420 -80.4420 -80.4420 -80.4420 -46.1130 -46.1130 -46.1130 -46.1130 -44.3810 -44.3810 -44.3810 -44.3810 -44.3711 -44.3711 -44.3711 -44.3711 7.3227 7.3227 7.3349 7.3349 7.8158 7.8158 8.7933 8.7933 8.8243 8.8243 8.8287 8.8287 9.1084 9.1084 9.2049 9.2049 9.2400 9.2400 9.3838 9.3838 9.3972 9.3972 9.3994 9.3994 9.5330 9.5330 9.6224 9.6224 9.6668 9.6668 9.7325 9.7325 10.1520 10.1520 10.3503 10.3503 10.3718 10.3718 10.4413 10.4413 10.9411 10.9411 10.9458 10.9458 11.3955 11.3955 11.4013 11.4013 11.8605 11.8605 11.9521 11.9521 11.9790 11.9790 k = 0.3333 0.5774 0.3954 ( 11718 PWs) bands (ev): -80.4420 -80.4420 -80.4420 -80.4420 -46.1130 -46.1130 -46.1130 -46.1130 -44.3810 -44.3810 -44.3810 -44.3810 -44.3711 -44.3711 -44.3711 -44.3711 7.3596 7.3596 7.3718 7.3718 7.8610 7.8610 8.7750 8.7750 8.7815 8.7815 8.8173 8.8173 9.0995 9.0995 9.2087 9.2087 9.2446 9.2446 9.3906 9.3906 9.4170 9.4170 9.4200 9.4200 9.5346 9.5346 9.6301 9.6301 9.6848 9.6848 9.7528 9.7528 10.1663 10.1663 10.3706 10.3706 10.3893 10.3893 10.4326 10.4326 10.9065 10.9065 10.9119 10.9119 11.3536 11.3536 11.3591 11.3591 11.9262 11.9262 11.9263 11.9263 11.9547 11.9547 k = 0.3333 0.5774 0.4142 ( 11724 PWs) bands (ev): -80.4420 -80.4420 -80.4420 -80.4420 -46.1130 -46.1130 -46.1130 -46.1130 -44.3810 -44.3810 -44.3810 -44.3810 -44.3711 -44.3711 -44.3711 -44.3711 7.3980 7.3980 7.4102 7.4102 7.9070 7.9070 8.7256 8.7256 8.7327 8.7327 8.8354 8.8354 9.0890 9.0890 9.2113 9.2113 9.2479 9.2479 9.4024 9.4024 9.4388 9.4388 9.4419 9.4419 9.5349 9.5349 9.6371 9.6371 9.7029 9.7029 9.7733 9.7733 10.1807 10.1807 10.3941 10.3941 10.4026 10.4026 10.4315 10.4315 10.8728 10.8728 10.8788 10.8788 11.3078 11.3078 11.3130 11.3130 11.9000 11.9000 11.9286 11.9286 11.9925 11.9925 k = 0.3333 0.5774 0.4330 ( 11718 PWs) bands (ev): -80.4420 -80.4420 -80.4420 -80.4420 -46.1130 -46.1130 -46.1130 -46.1130 -44.3810 -44.3810 -44.3810 -44.3810 -44.3711 -44.3711 -44.3711 -44.3711 7.4376 7.4376 7.4498 7.4498 7.9536 7.9536 8.6749 8.6749 8.6827 8.6827 8.8457 8.8457 9.0823 9.0823 9.2131 9.2131 9.2503 9.2503 9.4177 9.4177 9.4624 9.4624 9.4653 9.4653 9.5343 9.5343 9.6436 9.6436 9.7206 9.7206 9.7936 9.7936 10.1940 10.1940 10.4018 10.4018 10.4206 10.4206 10.4481 10.4481 10.8403 10.8403 10.8470 10.8470 11.2599 11.2599 11.2645 11.2645 11.8719 11.8719 11.9020 11.9020 12.0483 12.0483 k = 0.3333 0.5774 0.4519 ( 11724 PWs) bands (ev): -80.4420 -80.4420 -80.4420 -80.4420 -46.1130 -46.1130 -46.1130 -46.1130 -44.3810 -44.3810 -44.3810 -44.3810 -44.3711 -44.3711 -44.3711 -44.3711 7.4783 7.4783 7.4905 7.4905 8.0008 8.0008 8.6235 8.6235 8.6319 8.6319 8.8447 8.8447 9.0838 9.0838 9.2142 9.2142 9.2518 9.2518 9.4350 9.4350 9.4853 9.4853 9.4887 9.4887 9.5330 9.5330 9.6492 9.6492 9.7378 9.7378 9.8137 9.8137 10.2066 10.2066 10.3953 10.3953 10.4495 10.4495 10.4737 10.4737 10.8091 10.8091 10.8164 10.8164 11.2110 11.2110 11.2148 11.2148 11.8413 11.8413 11.8731 11.8731 12.0456 12.0456 k = 0.3333 0.5774 0.4707 ( 11718 PWs) bands (ev): -80.4420 -80.4420 -80.4420 -80.4420 -46.1130 -46.1130 -46.1130 -46.1130 -44.3810 -44.3810 -44.3810 -44.3810 -44.3711 -44.3711 -44.3711 -44.3711 7.5199 7.5199 7.5322 7.5322 8.0483 8.0483 8.5718 8.5718 8.5807 8.5807 8.8314 8.8314 9.0951 9.0951 9.2145 9.2145 9.2525 9.2525 9.4531 9.4531 9.5045 9.5045 9.5128 9.5128 9.5346 9.5346 9.6541 9.6541 9.7544 9.7544 9.8335 9.8335 10.2185 10.2185 10.3878 10.3878 10.4809 10.4809 10.5030 10.5030 10.7799 10.7799 10.7878 10.7878 11.1622 11.1622 11.1651 11.1651 11.8082 11.8082 11.8418 11.8418 12.0333 12.0333 k = 0.3333 0.5774 0.4895 ( 11724 PWs) bands (ev): -80.4420 -80.4420 -80.4420 -80.4420 -46.1130 -46.1130 -46.1130 -46.1130 -44.3810 -44.3810 -44.3810 -44.3810 -44.3711 -44.3711 -44.3711 -44.3711 7.5621 7.5621 7.5745 7.5745 8.0962 8.0962 8.5203 8.5203 8.5295 8.5295 8.8078 8.8078 9.1151 9.1151 9.2147 9.2147 9.2529 9.2529 9.4707 9.4707 9.5099 9.5099 9.5357 9.5357 9.5478 9.5478 9.6579 9.6579 9.7694 9.7694 9.8520 9.8520 10.2293 10.2293 10.3810 10.3810 10.5141 10.5141 10.5344 10.5344 10.7527 10.7527 10.7612 10.7612 11.1144 11.1144 11.1163 11.1163 11.7730 11.7730 11.8085 11.8085 12.0245 12.0245 k = 0.3333 0.5774 0.5083 ( 11712 PWs) bands (ev): -80.4419 -80.4419 -80.4419 -80.4419 -46.1130 -46.1130 -46.1130 -46.1130 -44.3810 -44.3810 -44.3810 -44.3810 -44.3711 -44.3711 -44.3711 -44.3711 7.6046 7.6046 7.6171 7.6171 8.1442 8.1442 8.4694 8.4694 8.4787 8.4787 8.7768 8.7768 9.1411 9.1411 9.2148 9.2148 9.2531 9.2531 9.4845 9.4845 9.5081 9.5081 9.5583 9.5583 9.5692 9.5692 9.6606 9.6606 9.7832 9.7832 9.8695 9.8695 10.2392 10.2392 10.3749 10.3749 10.5487 10.5487 10.5674 10.5674 10.7280 10.7280 10.7371 10.7371 11.0683 11.0683 11.0689 11.0689 11.7368 11.7368 11.7744 11.7744 12.0205 12.0205 k = 0.3333 0.5774 0.5272 ( 11727 PWs) bands (ev): -80.4420 -80.4420 -80.4420 -80.4420 -46.1130 -46.1130 -46.1130 -46.1130 -44.3810 -44.3810 -44.3810 -44.3810 -44.3711 -44.3711 -44.3711 -44.3711 7.6469 7.6469 7.6595 7.6595 8.1922 8.1922 8.4196 8.4196 8.4290 8.4290 8.7409 8.7409 9.1706 9.1706 9.2144 9.2144 9.2528 9.2528 9.4833 9.4833 9.5153 9.5153 9.5789 9.5789 9.5910 9.5910 9.6620 9.6620 9.7950 9.7950 9.8853 9.8853 10.2474 10.2474 10.3692 10.3692 10.5842 10.5842 10.6013 10.6013 10.7060 10.7060 10.7158 10.7158 11.0234 11.0234 11.0241 11.0241 11.7005 11.7005 11.7400 11.7400 12.0216 12.0216 k = 0.3333 0.5774 0.5460 ( 11733 PWs) bands (ev): -80.4421 -80.4421 -80.4421 -80.4421 -46.1131 -46.1131 -46.1131 -46.1131 -44.3810 -44.3810 -44.3810 -44.3810 -44.3711 -44.3711 -44.3711 -44.3711 7.6883 7.6883 7.7009 7.7009 8.2400 8.2400 8.3721 8.3721 8.3812 8.3812 8.7016 8.7016 9.2018 9.2018 9.2140 9.2140 9.2525 9.2525 9.4712 9.4712 9.5294 9.5294 9.5975 9.5975 9.6115 9.6115 9.6625 9.6625 9.8050 9.8050 9.8993 9.8993 10.2546 10.2546 10.3646 10.3646 10.6196 10.6196 10.6354 10.6354 10.6874 10.6874 10.6980 10.6980 10.9803 10.9803 10.9823 10.9823 11.6657 11.6657 11.7072 11.7072 12.0278 12.0278 k = 0.3333 0.5774 0.5648 ( 11715 PWs) bands (ev): -80.4419 -80.4419 -80.4419 -80.4419 -46.1130 -46.1130 -46.1130 -46.1130 -44.3810 -44.3810 -44.3810 -44.3810 -44.3711 -44.3711 -44.3711 -44.3711 7.7277 7.7277 7.7405 7.7405 8.2863 8.2863 8.3291 8.3291 8.3365 8.3365 8.6602 8.6602 9.2140 9.2140 9.2338 9.2338 9.2528 9.2528 9.4548 9.4548 9.5433 9.5433 9.6140 9.6140 9.6300 9.6300 9.6625 9.6625 9.8132 9.8132 9.9114 9.9114 10.2609 10.2609 10.3610 10.3610 10.6528 10.6528 10.6637 10.6637 10.6778 10.6778 10.6858 10.6858 10.9397 10.9397 10.9430 10.9430 11.6342 11.6342 11.6776 11.6776 12.0391 12.0391 k = 0.3333 0.5774 0.5836 ( 11724 PWs) bands (ev): -80.4420 -80.4420 -80.4420 -80.4420 -46.1130 -46.1130 -46.1130 -46.1130 -44.3810 -44.3810 -44.3810 -44.3810 -44.3711 -44.3711 -44.3711 -44.3711 7.7633 7.7633 7.7763 7.7763 8.2847 8.2847 8.2965 8.2965 8.3384 8.3384 8.6172 8.6172 9.2135 9.2135 9.2514 9.2514 9.2668 9.2668 9.4351 9.4351 9.5553 9.5553 9.6271 9.6271 9.6450 9.6450 9.6617 9.6617 9.8191 9.8191 9.9210 9.9210 10.2654 10.2654 10.3580 10.3580 10.6571 10.6571 10.6642 10.6642 10.6979 10.6979 10.7062 10.7062 10.9014 10.9014 10.9059 10.9059 11.6071 11.6071 11.6522 11.6522 12.0550 12.0550 k = 0.3333 0.5774 0.6025 ( 11724 PWs) bands (ev): -80.4420 -80.4420 -80.4420 -80.4420 -46.1130 -46.1130 -46.1130 -46.1130 -44.3810 -44.3810 -44.3810 -44.3810 -44.3711 -44.3711 -44.3711 -44.3711 7.7928 7.7928 7.8060 7.8060 8.2533 8.2533 8.2638 8.2638 8.3844 8.3844 8.5731 8.5731 9.2132 9.2132 9.2514 9.2514 9.2976 9.2976 9.4130 9.4130 9.5647 9.5647 9.6373 9.6373 9.6555 9.6555 9.6619 9.6619 9.8231 9.8231 9.9279 9.9279 10.2685 10.2685 10.3558 10.3558 10.6487 10.6487 10.6584 10.6584 10.7301 10.7301 10.7394 10.7394 10.8653 10.8653 10.8709 10.8709 11.5863 11.5863 11.6327 11.6327 12.0750 12.0750 k = 0.3333 0.5774 0.6213 ( 11715 PWs) bands (ev): -80.4419 -80.4419 -80.4419 -80.4419 -46.1130 -46.1130 -46.1130 -46.1130 -44.3809 -44.3809 -44.3809 -44.3809 -44.3711 -44.3711 -44.3711 -44.3711 7.8128 7.8128 7.8262 7.8262 8.2317 8.2317 8.2419 8.2419 8.4299 8.4299 8.5293 8.5293 9.2133 9.2133 9.2516 9.2516 9.3271 9.3271 9.3893 9.3893 9.5707 9.5707 9.6433 9.6433 9.6574 9.6574 9.6662 9.6662 9.8254 9.8254 9.9321 9.9321 10.2708 10.2708 10.3549 10.3549 10.6434 10.6434 10.6539 10.6539 10.7635 10.7635 10.7721 10.7721 10.8308 10.8308 10.8374 10.8374 11.5735 11.5735 11.6208 11.6208 12.0982 12.0982 k = 0.3333 0.5774 0.6401 ( 11724 PWs) bands (ev): -80.4420 -80.4420 -80.4420 -80.4420 -46.1130 -46.1130 -46.1130 -46.1130 -44.3810 -44.3810 -44.3810 -44.3810 -44.3711 -44.3711 -44.3711 -44.3711 7.8200 7.8200 7.8334 7.8334 8.2240 8.2240 8.2340 8.2340 8.4623 8.4623 8.4974 8.4974 9.2132 9.2132 9.2514 9.2514 9.3459 9.3459 9.3722 9.3722 9.5727 9.5727 9.6449 9.6449 9.6572 9.6572 9.6680 9.6680 9.8261 9.8261 9.9335 9.9335 10.2714 10.2714 10.3544 10.3544 10.6417 10.6417 10.6524 10.6524 10.7942 10.7942 10.7999 10.7999 10.8040 10.8040 10.8054 10.8054 11.5690 11.5690 11.6165 11.6165 12.1183 12.1183 Writing output data file Zr3Co.save init_run : 0.09s CPU 0.25s WALL ( 1 calls) electrons : 692.82s CPU 704.93s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.02s CPU 0.11s WALL ( 1 calls) Called by electrons: c_bands : 692.80s CPU 704.92s 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 0.01s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.09s CPU 0.16s WALL ( 281 calls) cegterg : 640.69s CPU 650.18s WALL ( 917 calls) Called by sum_band: Called by *egterg: h_psi : 427.27s CPU 432.12s WALL ( 17128 calls) g_psi : 1.26s CPU 1.28s WALL ( 15930 calls) cdiaghg : 163.80s CPU 165.66s WALL ( 16211 calls) cegterg:over : 35.60s CPU 35.68s WALL ( 15930 calls) cegterg:upda : 36.69s CPU 37.25s WALL ( 15930 calls) cegterg:last : 12.81s CPU 12.85s WALL ( 2013 calls) cdiaghg:chol : 9.57s CPU 9.59s WALL ( 16211 calls) cdiaghg:inve : 6.55s CPU 6.72s WALL ( 16211 calls) cdiaghg:para : 10.92s CPU 11.13s WALL ( 32422 calls) Called by h_psi: h_psi:vloc : 382.99s CPU 387.04s WALL ( 17128 calls) h_psi:vnl : 42.81s CPU 43.49s WALL ( 17128 calls) add_vuspsi : 19.85s CPU 20.28s WALL ( 17128 calls) General routines calbec : 22.90s CPU 23.16s WALL ( 17128 calls) fft : 0.00s CPU 0.01s WALL ( 14 calls) fftw : 361.30s CPU 364.66s WALL ( 1653788 calls) davcio : 0.09s CPU 0.34s WALL ( 562 calls) Parallel routines fft_scatter : 104.40s CPU 105.41s WALL ( 1653802 calls) PWSCF : 12m 7.04s CPU 12m43.80s WALL This run was terminated on: 17:36: 0 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=