Program PWSCF v.5.4.0 starts on 3Aug2017 at 18:45:48 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 & OpenMP), running on 72 processor cores Number of MPI processes: 36 Threads/MPI process: 2 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: ./CaAl9Ni.save/ file Ca.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3S renormalized file Ni.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per band group 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 108 72 20 5708 3131 456 Max 109 73 21 5712 3145 461 Sum 3889 2611 733 205531 112979 16475 bravais-lattice index = 14 lattice parameter (alat) = 14.3623 a.u. unit-cell volume = 2682.3123 (a.u.)^3 number of atoms/cell = 22 number of atomic types = 3 number of electrons = 94.00 number of Kohn-Sham states= 112 kinetic-energy cutoff = 46.0000 Ry charge density cutoff = 274.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 14.362295 celldm(2)= 1.000000 celldm(3)= 1.045459 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.500000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.500000 0.866025 0.000000 ) a(3) = ( 0.000000 0.000000 1.045459 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.577350 -0.000000 ) b(2) = ( 0.000000 1.154701 -0.000000 ) b(3) = ( 0.000000 0.000000 0.956517 ) PseudoPot. # 1 for Ca read from file: /users/gautes/Pseudo/Ca.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 60bd286d514994a6a955285ae841e6ef Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1169 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Ni read from file: /users/gautes/Pseudo/Ni.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 9d95a5a85785a32f0d1fefdc4874c578 Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1195 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Al read from file: /users/gautes/Pseudo/Al.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: d344aa71f13a435d235890da883ec65e Pseudo is Ultrasoft + core correction, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1135 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Ca 10.00 40.07800 Ca( 1.00) Ni 10.00 58.69340 Ni( 1.00) Al 3.00 26.98150 Al( 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 ) ( 0.5227297 ) 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 ) ( 0.5227297 ) 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 ) ( 0.5227297 ) 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 ) ( 0.5227297 ) 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 ) ( 0.5227297 ) 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 ) ( 0.5227297 ) 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 ) ( 0.5227297 ) 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 ) ( 0.5227297 ) 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 ) ( 0.5227297 ) 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 ) ( 0.5227297 ) 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 ) ( 0.5227297 ) 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 ) ( 0.5227297 ) 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= 201 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0049751 k( 2) = ( 0.0208333 0.0120281 -0.0000000), wk = 0.0049751 k( 3) = ( 0.0416667 0.0240563 -0.0000000), wk = 0.0049751 k( 4) = ( 0.0625000 0.0360844 -0.0000000), wk = 0.0049751 k( 5) = ( 0.0833333 0.0481125 -0.0000000), wk = 0.0049751 k( 6) = ( 0.1041667 0.0601407 -0.0000000), wk = 0.0049751 k( 7) = ( 0.1250000 0.0721688 -0.0000000), wk = 0.0049751 k( 8) = ( 0.1458333 0.0841969 -0.0000000), wk = 0.0049751 k( 9) = ( 0.1666667 0.0962250 -0.0000000), wk = 0.0049751 k( 10) = ( 0.1875000 0.1082532 -0.0000000), wk = 0.0049751 k( 11) = ( 0.2083333 0.1202813 -0.0000000), wk = 0.0049751 k( 12) = ( 0.2291667 0.1323094 -0.0000000), wk = 0.0049751 k( 13) = ( 0.2500000 0.1443376 -0.0000000), wk = 0.0049751 k( 14) = ( 0.2708333 0.1563657 -0.0000000), wk = 0.0049751 k( 15) = ( 0.2916667 0.1683938 -0.0000000), wk = 0.0049751 k( 16) = ( 0.3125000 0.1804220 -0.0000000), wk = 0.0049751 k( 17) = ( 0.3333333 0.1924501 -0.0000000), wk = 0.0049751 k( 18) = ( 0.3541667 0.2044782 -0.0000000), wk = 0.0049751 k( 19) = ( 0.3750000 0.2165064 -0.0000000), wk = 0.0049751 k( 20) = ( 0.3958333 0.2285345 -0.0000000), wk = 0.0049751 k( 21) = ( 0.4166667 0.2405626 -0.0000000), wk = 0.0049751 k( 22) = ( 0.4375000 0.2525907 -0.0000000), wk = 0.0049751 k( 23) = ( 0.4583333 0.2646189 -0.0000000), wk = 0.0049751 k( 24) = ( 0.4791667 0.2766470 -0.0000000), wk = 0.0049751 k( 25) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0049751 k( 26) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0049751 k( 27) = ( 0.4880952 0.3092948 -0.0000000), wk = 0.0049751 k( 28) = ( 0.4761905 0.3299144 -0.0000000), wk = 0.0049751 k( 29) = ( 0.4642857 0.3505341 -0.0000000), wk = 0.0049751 k( 30) = ( 0.4523810 0.3711537 -0.0000000), wk = 0.0049751 k( 31) = ( 0.4404762 0.3917734 -0.0000000), wk = 0.0049751 k( 32) = ( 0.4285714 0.4123930 -0.0000000), wk = 0.0049751 k( 33) = ( 0.4166667 0.4330127 -0.0000000), wk = 0.0049751 k( 34) = ( 0.4047619 0.4536324 -0.0000000), wk = 0.0049751 k( 35) = ( 0.3928571 0.4742520 -0.0000000), wk = 0.0049751 k( 36) = ( 0.3809524 0.4948717 -0.0000000), wk = 0.0049751 k( 37) = ( 0.3690476 0.5154913 -0.0000000), wk = 0.0049751 k( 38) = ( 0.3571429 0.5361110 -0.0000000), wk = 0.0049751 k( 39) = ( 0.3452381 0.5567306 -0.0000000), wk = 0.0049751 k( 40) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0049751 k( 41) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0049751 k( 42) = ( 0.3214286 0.5567306 -0.0000000), wk = 0.0049751 k( 43) = ( 0.3095238 0.5361110 -0.0000000), wk = 0.0049751 k( 44) = ( 0.2976190 0.5154913 -0.0000000), wk = 0.0049751 k( 45) = ( 0.2857143 0.4948717 -0.0000000), wk = 0.0049751 k( 46) = ( 0.2738095 0.4742520 -0.0000000), wk = 0.0049751 k( 47) = ( 0.2619048 0.4536324 -0.0000000), wk = 0.0049751 k( 48) = ( 0.2500000 0.4330127 -0.0000000), wk = 0.0049751 k( 49) = ( 0.2380952 0.4123931 -0.0000000), wk = 0.0049751 k( 50) = ( 0.2261905 0.3917734 -0.0000000), wk = 0.0049751 k( 51) = ( 0.2142857 0.3711537 -0.0000000), wk = 0.0049751 k( 52) = ( 0.2023810 0.3505341 -0.0000000), wk = 0.0049751 k( 53) = ( 0.1904762 0.3299144 -0.0000000), wk = 0.0049751 k( 54) = ( 0.1785714 0.3092948 -0.0000000), wk = 0.0049751 k( 55) = ( 0.1666667 0.2886751 -0.0000000), wk = 0.0049751 k( 56) = ( 0.1547619 0.2680555 -0.0000000), wk = 0.0049751 k( 57) = ( 0.1428571 0.2474358 -0.0000000), wk = 0.0049751 k( 58) = ( 0.1309524 0.2268162 -0.0000000), wk = 0.0049751 k( 59) = ( 0.1190476 0.2061965 -0.0000000), wk = 0.0049751 k( 60) = ( 0.1071429 0.1855769 -0.0000000), wk = 0.0049751 k( 61) = ( 0.0952381 0.1649572 -0.0000000), wk = 0.0049751 k( 62) = ( 0.0833333 0.1443376 -0.0000000), wk = 0.0049751 k( 63) = ( 0.0714286 0.1237179 -0.0000000), wk = 0.0049751 k( 64) = ( 0.0595238 0.1030983 -0.0000000), wk = 0.0049751 k( 65) = ( 0.0476191 0.0824786 -0.0000000), wk = 0.0049751 k( 66) = ( 0.0357143 0.0618590 -0.0000000), wk = 0.0049751 k( 67) = ( 0.0238095 0.0412393 -0.0000000), wk = 0.0049751 k( 68) = ( 0.0119048 0.0206196 -0.0000000), wk = 0.0049751 k( 69) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0049751 k( 70) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0049751 k( 71) = ( 0.0000000 0.0000000 0.0239129), wk = 0.0049751 k( 72) = ( 0.0000000 0.0000000 0.0478259), wk = 0.0049751 k( 73) = ( 0.0000000 0.0000000 0.0717388), wk = 0.0049751 k( 74) = ( 0.0000000 0.0000000 0.0956517), wk = 0.0049751 k( 75) = ( 0.0000000 0.0000000 0.1195647), wk = 0.0049751 k( 76) = ( 0.0000000 0.0000000 0.1434776), wk = 0.0049751 k( 77) = ( 0.0000000 0.0000000 0.1673905), wk = 0.0049751 k( 78) = ( 0.0000000 0.0000000 0.1913035), wk = 0.0049751 k( 79) = ( 0.0000000 0.0000000 0.2152164), wk = 0.0049751 k( 80) = ( 0.0000000 0.0000000 0.2391293), wk = 0.0049751 k( 81) = ( 0.0000000 0.0000000 0.2630423), wk = 0.0049751 k( 82) = ( 0.0000000 0.0000000 0.2869552), wk = 0.0049751 k( 83) = ( 0.0000000 0.0000000 0.3108681), wk = 0.0049751 k( 84) = ( 0.0000000 0.0000000 0.3347811), wk = 0.0049751 k( 85) = ( 0.0000000 0.0000000 0.3586940), wk = 0.0049751 k( 86) = ( 0.0000000 0.0000000 0.3826069), wk = 0.0049751 k( 87) = ( 0.0000000 0.0000000 0.4065199), wk = 0.0049751 k( 88) = ( 0.0000000 0.0000000 0.4304328), wk = 0.0049751 k( 89) = ( 0.0000000 0.0000000 0.4543457), wk = 0.0049751 k( 90) = ( 0.0000000 0.0000000 0.4782587), wk = 0.0049751 k( 91) = ( 0.0000000 0.0000000 0.4782587), wk = 0.0049751 k( 92) = ( 0.0208333 0.0120281 0.4782587), wk = 0.0049751 k( 93) = ( 0.0416667 0.0240563 0.4782587), wk = 0.0049751 k( 94) = ( 0.0625000 0.0360844 0.4782587), wk = 0.0049751 k( 95) = ( 0.0833333 0.0481125 0.4782587), wk = 0.0049751 k( 96) = ( 0.1041667 0.0601407 0.4782587), wk = 0.0049751 k( 97) = ( 0.1250000 0.0721688 0.4782587), wk = 0.0049751 k( 98) = ( 0.1458333 0.0841969 0.4782587), wk = 0.0049751 k( 99) = ( 0.1666667 0.0962250 0.4782587), wk = 0.0049751 k( 100) = ( 0.1875000 0.1082532 0.4782587), wk = 0.0049751 k( 101) = ( 0.2083333 0.1202813 0.4782587), wk = 0.0049751 k( 102) = ( 0.2291667 0.1323094 0.4782587), wk = 0.0049751 k( 103) = ( 0.2500000 0.1443376 0.4782587), wk = 0.0049751 k( 104) = ( 0.2708333 0.1563657 0.4782587), wk = 0.0049751 k( 105) = ( 0.2916667 0.1683938 0.4782587), wk = 0.0049751 k( 106) = ( 0.3125000 0.1804220 0.4782587), wk = 0.0049751 k( 107) = ( 0.3333333 0.1924501 0.4782587), wk = 0.0049751 k( 108) = ( 0.3541667 0.2044782 0.4782587), wk = 0.0049751 k( 109) = ( 0.3750000 0.2165064 0.4782587), wk = 0.0049751 k( 110) = ( 0.3958333 0.2285345 0.4782587), wk = 0.0049751 k( 111) = ( 0.4166667 0.2405626 0.4782587), wk = 0.0049751 k( 112) = ( 0.4375000 0.2525907 0.4782587), wk = 0.0049751 k( 113) = ( 0.4583333 0.2646189 0.4782587), wk = 0.0049751 k( 114) = ( 0.4791667 0.2766470 0.4782587), wk = 0.0049751 k( 115) = ( 0.5000000 0.2886751 0.4782587), wk = 0.0049751 k( 116) = ( 0.5000000 0.2886751 0.4782587), wk = 0.0049751 k( 117) = ( 0.4880952 0.3092948 0.4782587), wk = 0.0049751 k( 118) = ( 0.4761905 0.3299144 0.4782587), wk = 0.0049751 k( 119) = ( 0.4642857 0.3505341 0.4782587), wk = 0.0049751 k( 120) = ( 0.4523810 0.3711537 0.4782587), wk = 0.0049751 k( 121) = ( 0.4404762 0.3917734 0.4782587), wk = 0.0049751 k( 122) = ( 0.4285714 0.4123930 0.4782587), wk = 0.0049751 k( 123) = ( 0.4166667 0.4330127 0.4782587), wk = 0.0049751 k( 124) = ( 0.4047619 0.4536324 0.4782587), wk = 0.0049751 k( 125) = ( 0.3928571 0.4742520 0.4782587), wk = 0.0049751 k( 126) = ( 0.3809524 0.4948717 0.4782587), wk = 0.0049751 k( 127) = ( 0.3690476 0.5154913 0.4782587), wk = 0.0049751 k( 128) = ( 0.3571429 0.5361110 0.4782587), wk = 0.0049751 k( 129) = ( 0.3452381 0.5567306 0.4782587), wk = 0.0049751 k( 130) = ( 0.3333333 0.5773503 0.4782587), wk = 0.0049751 k( 131) = ( 0.3333333 0.5773503 0.4782587), wk = 0.0049751 k( 132) = ( 0.3214286 0.5567306 0.4782587), wk = 0.0049751 k( 133) = ( 0.3095238 0.5361110 0.4782587), wk = 0.0049751 k( 134) = ( 0.2976190 0.5154913 0.4782587), wk = 0.0049751 k( 135) = ( 0.2857143 0.4948717 0.4782587), wk = 0.0049751 k( 136) = ( 0.2738095 0.4742520 0.4782587), wk = 0.0049751 k( 137) = ( 0.2619048 0.4536324 0.4782587), wk = 0.0049751 k( 138) = ( 0.2500000 0.4330127 0.4782587), wk = 0.0049751 k( 139) = ( 0.2380952 0.4123931 0.4782587), wk = 0.0049751 k( 140) = ( 0.2261905 0.3917734 0.4782587), wk = 0.0049751 k( 141) = ( 0.2142857 0.3711537 0.4782587), wk = 0.0049751 k( 142) = ( 0.2023810 0.3505341 0.4782587), wk = 0.0049751 k( 143) = ( 0.1904762 0.3299144 0.4782587), wk = 0.0049751 k( 144) = ( 0.1785714 0.3092948 0.4782587), wk = 0.0049751 k( 145) = ( 0.1666667 0.2886751 0.4782587), wk = 0.0049751 k( 146) = ( 0.1547619 0.2680555 0.4782587), wk = 0.0049751 k( 147) = ( 0.1428571 0.2474358 0.4782587), wk = 0.0049751 k( 148) = ( 0.1309524 0.2268162 0.4782587), wk = 0.0049751 k( 149) = ( 0.1190476 0.2061965 0.4782587), wk = 0.0049751 k( 150) = ( 0.1071429 0.1855769 0.4782587), wk = 0.0049751 k( 151) = ( 0.0952381 0.1649572 0.4782587), wk = 0.0049751 k( 152) = ( 0.0833333 0.1443376 0.4782587), wk = 0.0049751 k( 153) = ( 0.0714286 0.1237179 0.4782587), wk = 0.0049751 k( 154) = ( 0.0595238 0.1030983 0.4782587), wk = 0.0049751 k( 155) = ( 0.0476191 0.0824786 0.4782587), wk = 0.0049751 k( 156) = ( 0.0357143 0.0618590 0.4782587), wk = 0.0049751 k( 157) = ( 0.0238095 0.0412393 0.4782587), wk = 0.0049751 k( 158) = ( 0.0119048 0.0206196 0.4782587), wk = 0.0049751 k( 159) = ( 0.0000000 0.0000000 0.4782587), wk = 0.0049751 k( 160) = ( 0.5000000 0.2886751 0.4782587), wk = 0.0049751 k( 161) = ( 0.5000000 0.2886751 0.4543457), wk = 0.0049751 k( 162) = ( 0.5000000 0.2886751 0.4304328), wk = 0.0049751 k( 163) = ( 0.5000000 0.2886751 0.4065199), wk = 0.0049751 k( 164) = ( 0.5000000 0.2886751 0.3826069), wk = 0.0049751 k( 165) = ( 0.5000000 0.2886751 0.3586940), wk = 0.0049751 k( 166) = ( 0.5000000 0.2886751 0.3347811), wk = 0.0049751 k( 167) = ( 0.5000000 0.2886751 0.3108681), wk = 0.0049751 k( 168) = ( 0.5000000 0.2886751 0.2869552), wk = 0.0049751 k( 169) = ( 0.5000000 0.2886751 0.2630423), wk = 0.0049751 k( 170) = ( 0.5000000 0.2886751 0.2391293), wk = 0.0049751 k( 171) = ( 0.5000000 0.2886751 0.2152164), wk = 0.0049751 k( 172) = ( 0.5000000 0.2886751 0.1913035), wk = 0.0049751 k( 173) = ( 0.5000000 0.2886751 0.1673905), wk = 0.0049751 k( 174) = ( 0.5000000 0.2886751 0.1434776), wk = 0.0049751 k( 175) = ( 0.5000000 0.2886751 0.1195647), wk = 0.0049751 k( 176) = ( 0.5000000 0.2886751 0.0956517), wk = 0.0049751 k( 177) = ( 0.5000000 0.2886751 0.0717388), wk = 0.0049751 k( 178) = ( 0.5000000 0.2886751 0.0478259), wk = 0.0049751 k( 179) = ( 0.5000000 0.2886751 0.0239129), wk = 0.0049751 k( 180) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0049751 k( 181) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0049751 k( 182) = ( 0.3333333 0.5773503 0.0239129), wk = 0.0049751 k( 183) = ( 0.3333333 0.5773503 0.0478259), wk = 0.0049751 k( 184) = ( 0.3333333 0.5773503 0.0717388), wk = 0.0049751 k( 185) = ( 0.3333333 0.5773503 0.0956517), wk = 0.0049751 k( 186) = ( 0.3333333 0.5773503 0.1195647), wk = 0.0049751 k( 187) = ( 0.3333333 0.5773503 0.1434776), wk = 0.0049751 k( 188) = ( 0.3333333 0.5773503 0.1673905), wk = 0.0049751 k( 189) = ( 0.3333333 0.5773503 0.1913035), wk = 0.0049751 k( 190) = ( 0.3333333 0.5773503 0.2152164), wk = 0.0049751 k( 191) = ( 0.3333333 0.5773503 0.2391293), wk = 0.0049751 k( 192) = ( 0.3333333 0.5773503 0.2630423), wk = 0.0049751 k( 193) = ( 0.3333333 0.5773503 0.2869552), wk = 0.0049751 k( 194) = ( 0.3333333 0.5773503 0.3108681), wk = 0.0049751 k( 195) = ( 0.3333333 0.5773503 0.3347811), wk = 0.0049751 k( 196) = ( 0.3333333 0.5773503 0.3586940), wk = 0.0049751 k( 197) = ( 0.3333333 0.5773503 0.3826069), wk = 0.0049751 k( 198) = ( 0.3333333 0.5773503 0.4065199), wk = 0.0049751 k( 199) = ( 0.3333333 0.5773503 0.4304328), wk = 0.0049751 k( 200) = ( 0.3333333 0.5773503 0.4543457), wk = 0.0049751 k( 201) = ( 0.3333333 0.5773503 0.4782587), wk = 0.0049751 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0049751 k( 2) = ( 0.0208333 0.0000000 -0.0000000), wk = 0.0049751 k( 3) = ( 0.0416667 0.0000000 -0.0000000), wk = 0.0049751 k( 4) = ( 0.0625000 0.0000000 0.0000000), wk = 0.0049751 k( 5) = ( 0.0833333 0.0000000 0.0000000), wk = 0.0049751 k( 6) = ( 0.1041667 0.0000000 0.0000000), wk = 0.0049751 k( 7) = ( 0.1250000 0.0000000 0.0000000), wk = 0.0049751 k( 8) = ( 0.1458333 -0.0000000 -0.0000000), wk = 0.0049751 k( 9) = ( 0.1666667 0.0000000 -0.0000000), wk = 0.0049751 k( 10) = ( 0.1875000 0.0000000 -0.0000000), wk = 0.0049751 k( 11) = ( 0.2083333 0.0000000 0.0000000), wk = 0.0049751 k( 12) = ( 0.2291667 0.0000000 -0.0000000), wk = 0.0049751 k( 13) = ( 0.2500000 0.0000000 0.0000000), wk = 0.0049751 k( 14) = ( 0.2708333 -0.0000000 0.0000000), wk = 0.0049751 k( 15) = ( 0.2916667 0.0000000 -0.0000000), wk = 0.0049751 k( 16) = ( 0.3125000 0.0000000 0.0000000), wk = 0.0049751 k( 17) = ( 0.3333333 0.0000000 -0.0000000), wk = 0.0049751 k( 18) = ( 0.3541667 0.0000000 -0.0000000), wk = 0.0049751 k( 19) = ( 0.3750000 0.0000000 -0.0000000), wk = 0.0049751 k( 20) = ( 0.3958333 0.0000000 0.0000000), wk = 0.0049751 k( 21) = ( 0.4166667 0.0000000 0.0000000), wk = 0.0049751 k( 22) = ( 0.4375000 0.0000000 -0.0000000), wk = 0.0049751 k( 23) = ( 0.4583333 0.0000000 0.0000000), wk = 0.0049751 k( 24) = ( 0.4791667 0.0000000 0.0000000), wk = 0.0049751 k( 25) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0049751 k( 26) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0049751 k( 27) = ( 0.4880952 0.0238095 -0.0000000), wk = 0.0049751 k( 28) = ( 0.4761905 0.0476191 0.0000000), wk = 0.0049751 k( 29) = ( 0.4642857 0.0714286 0.0000000), wk = 0.0049751 k( 30) = ( 0.4523810 0.0952381 0.0000000), wk = 0.0049751 k( 31) = ( 0.4404762 0.1190476 -0.0000000), wk = 0.0049751 k( 32) = ( 0.4285714 0.1428571 -0.0000000), wk = 0.0049751 k( 33) = ( 0.4166667 0.1666667 0.0000000), wk = 0.0049751 k( 34) = ( 0.4047619 0.1904762 0.0000000), wk = 0.0049751 k( 35) = ( 0.3928571 0.2142857 -0.0000000), wk = 0.0049751 k( 36) = ( 0.3809524 0.2380952 -0.0000000), wk = 0.0049751 k( 37) = ( 0.3690476 0.2619048 0.0000000), wk = 0.0049751 k( 38) = ( 0.3571429 0.2857143 -0.0000000), wk = 0.0049751 k( 39) = ( 0.3452381 0.3095238 0.0000000), wk = 0.0049751 k( 40) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0049751 k( 41) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0049751 k( 42) = ( 0.3214286 0.3214286 -0.0000000), wk = 0.0049751 k( 43) = ( 0.3095238 0.3095238 0.0000000), wk = 0.0049751 k( 44) = ( 0.2976190 0.2976190 0.0000000), wk = 0.0049751 k( 45) = ( 0.2857143 0.2857143 -0.0000000), wk = 0.0049751 k( 46) = ( 0.2738095 0.2738095 -0.0000000), wk = 0.0049751 k( 47) = ( 0.2619048 0.2619048 0.0000000), wk = 0.0049751 k( 48) = ( 0.2500000 0.2500000 -0.0000000), wk = 0.0049751 k( 49) = ( 0.2380952 0.2380952 0.0000000), wk = 0.0049751 k( 50) = ( 0.2261905 0.2261905 -0.0000000), wk = 0.0049751 k( 51) = ( 0.2142857 0.2142857 0.0000000), wk = 0.0049751 k( 52) = ( 0.2023810 0.2023810 0.0000000), wk = 0.0049751 k( 53) = ( 0.1904762 0.1904762 -0.0000000), wk = 0.0049751 k( 54) = ( 0.1785714 0.1785714 0.0000000), wk = 0.0049751 k( 55) = ( 0.1666667 0.1666667 -0.0000000), wk = 0.0049751 k( 56) = ( 0.1547619 0.1547619 0.0000000), wk = 0.0049751 k( 57) = ( 0.1428571 0.1428571 0.0000000), wk = 0.0049751 k( 58) = ( 0.1309524 0.1309524 0.0000000), wk = 0.0049751 k( 59) = ( 0.1190476 0.1190476 0.0000000), wk = 0.0049751 k( 60) = ( 0.1071429 0.1071429 0.0000000), wk = 0.0049751 k( 61) = ( 0.0952381 0.0952381 0.0000000), wk = 0.0049751 k( 62) = ( 0.0833333 0.0833333 -0.0000000), wk = 0.0049751 k( 63) = ( 0.0714286 0.0714286 0.0000000), wk = 0.0049751 k( 64) = ( 0.0595238 0.0595238 0.0000000), wk = 0.0049751 k( 65) = ( 0.0476191 0.0476191 0.0000000), wk = 0.0049751 k( 66) = ( 0.0357143 0.0357143 0.0000000), wk = 0.0049751 k( 67) = ( 0.0238095 0.0238095 0.0000000), wk = 0.0049751 k( 68) = ( 0.0119048 0.0119048 0.0000000), wk = 0.0049751 k( 69) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0049751 k( 70) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0049751 k( 71) = ( 0.0000000 0.0000000 0.0250000), wk = 0.0049751 k( 72) = ( 0.0000000 0.0000000 0.0500000), wk = 0.0049751 k( 73) = ( 0.0000000 0.0000000 0.0750000), wk = 0.0049751 k( 74) = ( 0.0000000 0.0000000 0.1000000), wk = 0.0049751 k( 75) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0049751 k( 76) = ( 0.0000000 0.0000000 0.1500000), wk = 0.0049751 k( 77) = ( 0.0000000 0.0000000 0.1750000), wk = 0.0049751 k( 78) = ( 0.0000000 0.0000000 0.2000000), wk = 0.0049751 k( 79) = ( 0.0000000 0.0000000 0.2250000), wk = 0.0049751 k( 80) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0049751 k( 81) = ( 0.0000000 0.0000000 0.2750000), wk = 0.0049751 k( 82) = ( 0.0000000 0.0000000 0.3000000), wk = 0.0049751 k( 83) = ( 0.0000000 0.0000000 0.3250000), wk = 0.0049751 k( 84) = ( 0.0000000 0.0000000 0.3500000), wk = 0.0049751 k( 85) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0049751 k( 86) = ( 0.0000000 0.0000000 0.4000000), wk = 0.0049751 k( 87) = ( 0.0000000 0.0000000 0.4250000), wk = 0.0049751 k( 88) = ( 0.0000000 0.0000000 0.4500000), wk = 0.0049751 k( 89) = ( 0.0000000 0.0000000 0.4750000), wk = 0.0049751 k( 90) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0049751 k( 91) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0049751 k( 92) = ( 0.0208333 0.0000000 0.5000000), wk = 0.0049751 k( 93) = ( 0.0416667 0.0000000 0.5000000), wk = 0.0049751 k( 94) = ( 0.0625000 0.0000000 0.5000000), wk = 0.0049751 k( 95) = ( 0.0833333 0.0000000 0.5000000), wk = 0.0049751 k( 96) = ( 0.1041667 0.0000000 0.5000000), wk = 0.0049751 k( 97) = ( 0.1250000 0.0000000 0.5000000), wk = 0.0049751 k( 98) = ( 0.1458333 -0.0000000 0.5000000), wk = 0.0049751 k( 99) = ( 0.1666667 0.0000000 0.5000000), wk = 0.0049751 k( 100) = ( 0.1875000 0.0000000 0.5000000), wk = 0.0049751 k( 101) = ( 0.2083333 0.0000000 0.5000000), wk = 0.0049751 k( 102) = ( 0.2291667 0.0000000 0.5000000), wk = 0.0049751 k( 103) = ( 0.2500000 0.0000000 0.5000000), wk = 0.0049751 k( 104) = ( 0.2708333 -0.0000000 0.5000000), wk = 0.0049751 k( 105) = ( 0.2916667 0.0000000 0.5000000), wk = 0.0049751 k( 106) = ( 0.3125000 0.0000000 0.5000000), wk = 0.0049751 k( 107) = ( 0.3333333 0.0000000 0.5000000), wk = 0.0049751 k( 108) = ( 0.3541667 0.0000000 0.5000000), wk = 0.0049751 k( 109) = ( 0.3750000 0.0000000 0.5000000), wk = 0.0049751 k( 110) = ( 0.3958333 0.0000000 0.5000000), wk = 0.0049751 k( 111) = ( 0.4166667 0.0000000 0.5000000), wk = 0.0049751 k( 112) = ( 0.4375000 0.0000000 0.5000000), wk = 0.0049751 k( 113) = ( 0.4583333 0.0000000 0.5000000), wk = 0.0049751 k( 114) = ( 0.4791667 0.0000000 0.5000000), wk = 0.0049751 k( 115) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0049751 k( 116) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0049751 k( 117) = ( 0.4880952 0.0238095 0.5000000), wk = 0.0049751 k( 118) = ( 0.4761905 0.0476191 0.5000000), wk = 0.0049751 k( 119) = ( 0.4642857 0.0714286 0.5000000), wk = 0.0049751 k( 120) = ( 0.4523810 0.0952381 0.5000000), wk = 0.0049751 k( 121) = ( 0.4404762 0.1190476 0.5000000), wk = 0.0049751 k( 122) = ( 0.4285714 0.1428571 0.5000000), wk = 0.0049751 k( 123) = ( 0.4166667 0.1666667 0.5000000), wk = 0.0049751 k( 124) = ( 0.4047619 0.1904762 0.5000000), wk = 0.0049751 k( 125) = ( 0.3928571 0.2142857 0.5000000), wk = 0.0049751 k( 126) = ( 0.3809524 0.2380952 0.5000000), wk = 0.0049751 k( 127) = ( 0.3690476 0.2619048 0.5000000), wk = 0.0049751 k( 128) = ( 0.3571429 0.2857143 0.5000000), wk = 0.0049751 k( 129) = ( 0.3452381 0.3095238 0.5000000), wk = 0.0049751 k( 130) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0049751 k( 131) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0049751 k( 132) = ( 0.3214286 0.3214286 0.5000000), wk = 0.0049751 k( 133) = ( 0.3095238 0.3095238 0.5000000), wk = 0.0049751 k( 134) = ( 0.2976190 0.2976190 0.5000000), wk = 0.0049751 k( 135) = ( 0.2857143 0.2857143 0.5000000), wk = 0.0049751 k( 136) = ( 0.2738095 0.2738095 0.5000000), wk = 0.0049751 k( 137) = ( 0.2619048 0.2619048 0.5000000), wk = 0.0049751 k( 138) = ( 0.2500000 0.2500000 0.5000000), wk = 0.0049751 k( 139) = ( 0.2380952 0.2380952 0.5000000), wk = 0.0049751 k( 140) = ( 0.2261905 0.2261905 0.5000000), wk = 0.0049751 k( 141) = ( 0.2142857 0.2142857 0.5000000), wk = 0.0049751 k( 142) = ( 0.2023810 0.2023810 0.5000000), wk = 0.0049751 k( 143) = ( 0.1904762 0.1904762 0.5000000), wk = 0.0049751 k( 144) = ( 0.1785714 0.1785714 0.5000000), wk = 0.0049751 k( 145) = ( 0.1666667 0.1666667 0.5000000), wk = 0.0049751 k( 146) = ( 0.1547619 0.1547619 0.5000000), wk = 0.0049751 k( 147) = ( 0.1428571 0.1428571 0.5000000), wk = 0.0049751 k( 148) = ( 0.1309524 0.1309524 0.5000000), wk = 0.0049751 k( 149) = ( 0.1190476 0.1190476 0.5000000), wk = 0.0049751 k( 150) = ( 0.1071429 0.1071429 0.5000000), wk = 0.0049751 k( 151) = ( 0.0952381 0.0952381 0.5000000), wk = 0.0049751 k( 152) = ( 0.0833333 0.0833333 0.5000000), wk = 0.0049751 k( 153) = ( 0.0714286 0.0714286 0.5000000), wk = 0.0049751 k( 154) = ( 0.0595238 0.0595238 0.5000000), wk = 0.0049751 k( 155) = ( 0.0476191 0.0476191 0.5000000), wk = 0.0049751 k( 156) = ( 0.0357143 0.0357143 0.5000000), wk = 0.0049751 k( 157) = ( 0.0238095 0.0238095 0.5000000), wk = 0.0049751 k( 158) = ( 0.0119048 0.0119048 0.5000000), wk = 0.0049751 k( 159) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0049751 k( 160) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0049751 k( 161) = ( 0.5000000 0.0000000 0.4750000), wk = 0.0049751 k( 162) = ( 0.5000000 0.0000000 0.4500000), wk = 0.0049751 k( 163) = ( 0.5000000 0.0000000 0.4250000), wk = 0.0049751 k( 164) = ( 0.5000000 0.0000000 0.4000000), wk = 0.0049751 k( 165) = ( 0.5000000 0.0000000 0.3750000), wk = 0.0049751 k( 166) = ( 0.5000000 0.0000000 0.3500000), wk = 0.0049751 k( 167) = ( 0.5000000 0.0000000 0.3250000), wk = 0.0049751 k( 168) = ( 0.5000000 0.0000000 0.3000000), wk = 0.0049751 k( 169) = ( 0.5000000 0.0000000 0.2750000), wk = 0.0049751 k( 170) = ( 0.5000000 0.0000000 0.2500000), wk = 0.0049751 k( 171) = ( 0.5000000 0.0000000 0.2250000), wk = 0.0049751 k( 172) = ( 0.5000000 0.0000000 0.2000000), wk = 0.0049751 k( 173) = ( 0.5000000 0.0000000 0.1750000), wk = 0.0049751 k( 174) = ( 0.5000000 0.0000000 0.1500000), wk = 0.0049751 k( 175) = ( 0.5000000 0.0000000 0.1250000), wk = 0.0049751 k( 176) = ( 0.5000000 0.0000000 0.1000000), wk = 0.0049751 k( 177) = ( 0.5000000 0.0000000 0.0750000), wk = 0.0049751 k( 178) = ( 0.5000000 0.0000000 0.0500000), wk = 0.0049751 k( 179) = ( 0.5000000 0.0000000 0.0250000), wk = 0.0049751 k( 180) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0049751 k( 181) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0049751 k( 182) = ( 0.3333333 0.3333333 0.0250000), wk = 0.0049751 k( 183) = ( 0.3333333 0.3333333 0.0500000), wk = 0.0049751 k( 184) = ( 0.3333333 0.3333333 0.0750000), wk = 0.0049751 k( 185) = ( 0.3333333 0.3333333 0.1000000), wk = 0.0049751 k( 186) = ( 0.3333333 0.3333333 0.1250000), wk = 0.0049751 k( 187) = ( 0.3333333 0.3333333 0.1500000), wk = 0.0049751 k( 188) = ( 0.3333333 0.3333333 0.1750000), wk = 0.0049751 k( 189) = ( 0.3333333 0.3333333 0.2000000), wk = 0.0049751 k( 190) = ( 0.3333333 0.3333333 0.2250000), wk = 0.0049751 k( 191) = ( 0.3333333 0.3333333 0.2500000), wk = 0.0049751 k( 192) = ( 0.3333333 0.3333333 0.2750000), wk = 0.0049751 k( 193) = ( 0.3333333 0.3333333 0.3000000), wk = 0.0049751 k( 194) = ( 0.3333333 0.3333333 0.3250000), wk = 0.0049751 k( 195) = ( 0.3333333 0.3333333 0.3500000), wk = 0.0049751 k( 196) = ( 0.3333333 0.3333333 0.3750000), wk = 0.0049751 k( 197) = ( 0.3333333 0.3333333 0.4000000), wk = 0.0049751 k( 198) = ( 0.3333333 0.3333333 0.4250000), wk = 0.0049751 k( 199) = ( 0.3333333 0.3333333 0.4500000), wk = 0.0049751 k( 200) = ( 0.3333333 0.3333333 0.4750000), wk = 0.0049751 k( 201) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0049751 Dense grid: 205531 G-vectors FFT dimensions: ( 75, 75, 80) Smooth grid: 112979 G-vectors FFT dimensions: ( 64, 64, 72) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 1.35 Mb ( 788, 112) NL pseudopotentials 4.50 Mb ( 394, 748) Each V/rho on FFT grid 0.26 Mb ( 16875) Each G-vector array 0.04 Mb ( 5710) G-vector shells 0.02 Mb ( 2586) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 5.39 Mb ( 788, 448) Each subspace H/S matrix 0.19 Mb ( 112, 112) Each matrix 2.56 Mb ( 748, 2, 112) The potential is recalculated from file : ./CaAl9Ni.save/charge-density.dat Starting wfc are 212 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 11.1 secs Computing kpt #: 2 total cpu time spent up to now is 16.7 secs Computing kpt #: 3 total cpu time spent up to now is 22.3 secs Computing kpt #: 4 total cpu time spent up to now is 28.1 secs Computing kpt #: 5 total cpu time spent up to now is 33.8 secs Computing kpt #: 6 total cpu time spent up to now is 39.7 secs Computing kpt #: 7 total cpu time spent up to now is 46.0 secs Computing kpt #: 8 total cpu time spent up to now is 52.3 secs Computing kpt #: 9 total cpu time spent up to now is 58.5 secs Computing kpt #: 10 total cpu time spent up to now is 64.0 secs Computing kpt #: 11 total cpu time spent up to now is 69.6 secs Computing kpt #: 12 total cpu time spent up to now is 76.2 secs Computing kpt #: 13 total cpu time spent up to now is 83.5 secs Computing kpt #: 14 total cpu time spent up to now is 89.7 secs Computing kpt #: 15 total cpu time spent up to now is 96.2 secs Computing kpt #: 16 total cpu time spent up to now is 103.5 secs Computing kpt #: 17 total cpu time spent up to now is 110.6 secs Computing kpt #: 18 total cpu time spent up to now is 117.2 secs Computing kpt #: 19 total cpu time spent up to now is 123.6 secs Computing kpt #: 20 total cpu time spent up to now is 132.0 secs Computing kpt #: 21 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 141.6 secs Computing kpt #: 22 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 151.2 secs Computing kpt #: 23 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 160.8 secs Computing kpt #: 24 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 170.2 secs Computing kpt #: 25 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 179.6 secs Computing kpt #: 26 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 189.0 secs Computing kpt #: 27 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 198.6 secs Computing kpt #: 28 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 208.2 secs Computing kpt #: 29 total cpu time spent up to now is 216.2 secs Computing kpt #: 30 total cpu time spent up to now is 224.3 secs Computing kpt #: 31 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 233.8 secs Computing kpt #: 32 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 243.0 secs Computing kpt #: 33 total cpu time spent up to now is 248.9 secs Computing kpt #: 34 total cpu time spent up to now is 254.0 secs Computing kpt #: 35 total cpu time spent up to now is 259.1 secs Computing kpt #: 36 total cpu time spent up to now is 264.0 secs Computing kpt #: 37 total cpu time spent up to now is 269.0 secs Computing kpt #: 38 total cpu time spent up to now is 273.7 secs Computing kpt #: 39 total cpu time spent up to now is 278.4 secs Computing kpt #: 40 total cpu time spent up to now is 282.9 secs Computing kpt #: 41 total cpu time spent up to now is 287.5 secs Computing kpt #: 42 total cpu time spent up to now is 292.1 secs Computing kpt #: 43 total cpu time spent up to now is 296.7 secs Computing kpt #: 44 total cpu time spent up to now is 301.4 secs Computing kpt #: 45 total cpu time spent up to now is 306.3 secs Computing kpt #: 46 total cpu time spent up to now is 311.4 secs Computing kpt #: 47 total cpu time spent up to now is 316.6 secs Computing kpt #: 48 total cpu time spent up to now is 322.4 secs Computing kpt #: 49 total cpu time spent up to now is 329.8 secs Computing kpt #: 50 total cpu time spent up to now is 335.9 secs Computing kpt #: 51 total cpu time spent up to now is 342.2 secs Computing kpt #: 52 total cpu time spent up to now is 350.6 secs Computing kpt #: 53 total cpu time spent up to now is 357.5 secs Computing kpt #: 54 total cpu time spent up to now is 363.6 secs Computing kpt #: 55 total cpu time spent up to now is 369.7 secs Computing kpt #: 56 total cpu time spent up to now is 376.5 secs Computing kpt #: 57 total cpu time spent up to now is 383.3 secs Computing kpt #: 58 total cpu time spent up to now is 390.0 secs Computing kpt #: 59 total cpu time spent up to now is 396.5 secs Computing kpt #: 60 total cpu time spent up to now is 402.7 secs Computing kpt #: 61 total cpu time spent up to now is 409.2 secs Computing kpt #: 62 total cpu time spent up to now is 415.6 secs Computing kpt #: 63 total cpu time spent up to now is 422.4 secs Computing kpt #: 64 total cpu time spent up to now is 428.6 secs Computing kpt #: 65 total cpu time spent up to now is 434.4 secs Computing kpt #: 66 total cpu time spent up to now is 439.9 secs Computing kpt #: 67 total cpu time spent up to now is 445.4 secs Computing kpt #: 68 total cpu time spent up to now is 451.0 secs Computing kpt #: 69 total cpu time spent up to now is 456.0 secs Computing kpt #: 70 total cpu time spent up to now is 460.9 secs Computing kpt #: 71 total cpu time spent up to now is 466.2 secs Computing kpt #: 72 total cpu time spent up to now is 471.4 secs Computing kpt #: 73 total cpu time spent up to now is 477.1 secs Computing kpt #: 74 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 486.5 secs Computing kpt #: 75 total cpu time spent up to now is 493.6 secs Computing kpt #: 76 total cpu time spent up to now is 500.1 secs Computing kpt #: 77 total cpu time spent up to now is 506.5 secs Computing kpt #: 78 total cpu time spent up to now is 512.9 secs Computing kpt #: 79 total cpu time spent up to now is 518.6 secs Computing kpt #: 80 total cpu time spent up to now is 523.7 secs Computing kpt #: 81 total cpu time spent up to now is 528.6 secs Computing kpt #: 82 total cpu time spent up to now is 533.5 secs Computing kpt #: 83 total cpu time spent up to now is 538.6 secs Computing kpt #: 84 total cpu time spent up to now is 543.7 secs Computing kpt #: 85 total cpu time spent up to now is 548.8 secs Computing kpt #: 86 total cpu time spent up to now is 554.0 secs Computing kpt #: 87 total cpu time spent up to now is 559.3 secs Computing kpt #: 88 total cpu time spent up to now is 564.6 secs Computing kpt #: 89 total cpu time spent up to now is 569.9 secs Computing kpt #: 90 total cpu time spent up to now is 575.1 secs Computing kpt #: 91 total cpu time spent up to now is 580.3 secs Computing kpt #: 92 total cpu time spent up to now is 585.5 secs Computing kpt #: 93 total cpu time spent up to now is 590.7 secs Computing kpt #: 94 total cpu time spent up to now is 596.0 secs Computing kpt #: 95 total cpu time spent up to now is 601.2 secs Computing kpt #: 96 total cpu time spent up to now is 606.5 secs Computing kpt #: 97 total cpu time spent up to now is 611.8 secs Computing kpt #: 98 total cpu time spent up to now is 617.2 secs Computing kpt #: 99 total cpu time spent up to now is 622.7 secs Computing kpt #: 100 total cpu time spent up to now is 628.3 secs Computing kpt #: 101 total cpu time spent up to now is 634.3 secs Computing kpt #: 102 total cpu time spent up to now is 640.7 secs Computing kpt #: 103 total cpu time spent up to now is 647.3 secs Computing kpt #: 104 total cpu time spent up to now is 654.4 secs Computing kpt #: 105 total cpu time spent up to now is 661.1 secs Computing kpt #: 106 total cpu time spent up to now is 667.1 secs Computing kpt #: 107 total cpu time spent up to now is 673.0 secs Computing kpt #: 108 total cpu time spent up to now is 679.5 secs Computing kpt #: 109 total cpu time spent up to now is 685.4 secs Computing kpt #: 110 total cpu time spent up to now is 691.3 secs Computing kpt #: 111 total cpu time spent up to now is 697.3 secs Computing kpt #: 112 total cpu time spent up to now is 703.4 secs Computing kpt #: 113 total cpu time spent up to now is 710.3 secs Computing kpt #: 114 total cpu time spent up to now is 718.3 secs Computing kpt #: 115 total cpu time spent up to now is 726.3 secs Computing kpt #: 116 total cpu time spent up to now is 734.4 secs Computing kpt #: 117 total cpu time spent up to now is 742.4 secs Computing kpt #: 118 total cpu time spent up to now is 750.6 secs Computing kpt #: 119 total cpu time spent up to now is 758.1 secs Computing kpt #: 120 total cpu time spent up to now is 764.6 secs Computing kpt #: 121 total cpu time spent up to now is 770.6 secs Computing kpt #: 122 total cpu time spent up to now is 776.2 secs Computing kpt #: 123 total cpu time spent up to now is 781.8 secs Computing kpt #: 124 total cpu time spent up to now is 787.7 secs Computing kpt #: 125 total cpu time spent up to now is 793.6 secs Computing kpt #: 126 total cpu time spent up to now is 799.5 secs Computing kpt #: 127 total cpu time spent up to now is 805.3 secs Computing kpt #: 128 total cpu time spent up to now is 811.0 secs Computing kpt #: 129 total cpu time spent up to now is 816.6 secs Computing kpt #: 130 total cpu time spent up to now is 822.3 secs Computing kpt #: 131 total cpu time spent up to now is 827.9 secs Computing kpt #: 132 total cpu time spent up to now is 833.6 secs Computing kpt #: 133 total cpu time spent up to now is 839.3 secs Computing kpt #: 134 total cpu time spent up to now is 845.1 secs Computing kpt #: 135 total cpu time spent up to now is 850.4 secs Computing kpt #: 136 total cpu time spent up to now is 855.5 secs Computing kpt #: 137 total cpu time spent up to now is 860.7 secs Computing kpt #: 138 total cpu time spent up to now is 865.8 secs Computing kpt #: 139 total cpu time spent up to now is 870.9 secs Computing kpt #: 140 total cpu time spent up to now is 876.1 secs Computing kpt #: 141 total cpu time spent up to now is 881.5 secs Computing kpt #: 142 total cpu time spent up to now is 887.1 secs Computing kpt #: 143 total cpu time spent up to now is 894.1 secs Computing kpt #: 144 total cpu time spent up to now is 903.5 secs Computing kpt #: 145 total cpu time spent up to now is 910.0 secs Computing kpt #: 146 total cpu time spent up to now is 916.3 secs Computing kpt #: 147 total cpu time spent up to now is 922.3 secs Computing kpt #: 148 total cpu time spent up to now is 928.4 secs Computing kpt #: 149 total cpu time spent up to now is 934.4 secs Computing kpt #: 150 total cpu time spent up to now is 940.5 secs Computing kpt #: 151 total cpu time spent up to now is 946.0 secs Computing kpt #: 152 total cpu time spent up to now is 951.3 secs Computing kpt #: 153 total cpu time spent up to now is 956.6 secs Computing kpt #: 154 total cpu time spent up to now is 961.8 secs Computing kpt #: 155 total cpu time spent up to now is 966.9 secs Computing kpt #: 156 total cpu time spent up to now is 972.1 secs Computing kpt #: 157 total cpu time spent up to now is 978.0 secs Computing kpt #: 158 total cpu time spent up to now is 983.5 secs Computing kpt #: 159 total cpu time spent up to now is 988.8 secs Computing kpt #: 160 total cpu time spent up to now is 996.8 secs Computing kpt #: 161 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1006.3 secs Computing kpt #: 162 total cpu time spent up to now is 1015.2 secs Computing kpt #: 163 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1024.5 secs Computing kpt #: 164 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1033.8 secs Computing kpt #: 165 total cpu time spent up to now is 1041.1 secs Computing kpt #: 166 total cpu time spent up to now is 1049.1 secs Computing kpt #: 167 total cpu time spent up to now is 1056.1 secs Computing kpt #: 168 total cpu time spent up to now is 1062.6 secs Computing kpt #: 169 total cpu time spent up to now is 1068.9 secs Computing kpt #: 170 total cpu time spent up to now is 1074.9 secs Computing kpt #: 171 total cpu time spent up to now is 1081.0 secs Computing kpt #: 172 total cpu time spent up to now is 1087.1 secs Computing kpt #: 173 total cpu time spent up to now is 1093.1 secs Computing kpt #: 174 total cpu time spent up to now is 1099.1 secs Computing kpt #: 175 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1108.6 secs Computing kpt #: 176 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1118.1 secs Computing kpt #: 177 total cpu time spent up to now is 1126.5 secs Computing kpt #: 178 total cpu time spent up to now is 1133.7 secs Computing kpt #: 179 total cpu time spent up to now is 1142.5 secs Computing kpt #: 180 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1152.0 secs Computing kpt #: 181 total cpu time spent up to now is 1156.6 secs Computing kpt #: 182 total cpu time spent up to now is 1161.2 secs Computing kpt #: 183 total cpu time spent up to now is 1165.8 secs Computing kpt #: 184 total cpu time spent up to now is 1170.4 secs Computing kpt #: 185 total cpu time spent up to now is 1175.2 secs Computing kpt #: 186 total cpu time spent up to now is 1180.2 secs Computing kpt #: 187 total cpu time spent up to now is 1185.8 secs Computing kpt #: 188 total cpu time spent up to now is 1194.8 secs Computing kpt #: 189 total cpu time spent up to now is 1200.9 secs Computing kpt #: 190 total cpu time spent up to now is 1206.1 secs Computing kpt #: 191 total cpu time spent up to now is 1211.5 secs Computing kpt #: 192 total cpu time spent up to now is 1217.3 secs Computing kpt #: 193 total cpu time spent up to now is 1223.2 secs Computing kpt #: 194 total cpu time spent up to now is 1229.0 secs Computing kpt #: 195 total cpu time spent up to now is 1235.3 secs Computing kpt #: 196 total cpu time spent up to now is 1241.1 secs Computing kpt #: 197 total cpu time spent up to now is 1247.5 secs Computing kpt #: 198 total cpu time spent up to now is 1253.6 secs Computing kpt #: 199 total cpu time spent up to now is 1259.8 secs Computing kpt #: 200 total cpu time spent up to now is 1266.5 secs Computing kpt #: 201 total cpu time spent up to now is 1272.1 secs ethr = 1.06E-08, avg # of iterations = 53.1 total cpu time spent up to now is 1272.1 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 14157 PWs) bands (ev): -33.9706 -33.9706 -33.9668 -33.9668 -15.2436 -15.2436 -15.2300 -15.2300 -14.8746 -14.8746 -14.8680 -14.8680 -14.8659 -14.8659 -14.8209 -14.8209 -2.7392 -2.7392 -0.7749 -0.7749 -0.1173 -0.1173 0.1170 0.1170 0.1213 0.1213 0.3282 0.3282 1.3685 1.3685 1.3709 1.3709 1.8901 1.8901 1.8946 1.8946 2.0931 2.0931 2.6380 2.6380 2.6430 2.6430 2.7173 2.7173 2.7217 2.7217 2.9461 2.9461 3.2680 3.2680 3.9707 3.9707 4.0083 4.0083 4.5618 4.5618 4.6407 4.6407 4.7155 4.7155 4.7443 4.7443 4.8811 4.8811 4.9456 4.9456 5.0673 5.0673 5.0748 5.0748 5.1739 5.1739 5.1940 5.1940 5.2625 5.2625 5.7595 5.7595 6.5184 6.5184 7.2427 7.2427 7.2442 7.2442 7.4495 7.4495 7.9307 7.9307 8.0028 8.0028 8.0290 8.0290 8.0317 8.0317 8.3622 8.3622 8.3647 8.3647 8.4659 8.4659 8.7579 8.7579 9.0595 9.0595 9.0646 9.0646 9.4039 9.4039 9.4406 9.4406 9.4669 9.4669 k = 0.0208 0.0120-0.0000 ( 14141 PWs) bands (ev): -33.9706 -33.9706 -33.9668 -33.9668 -15.2436 -15.2436 -15.2300 -15.2300 -14.8746 -14.8746 -14.8680 -14.8680 -14.8659 -14.8659 -14.8209 -14.8209 -2.7379 -2.7379 -0.7737 -0.7737 -0.1292 -0.1292 0.1027 0.1027 0.1173 0.1173 0.3567 0.3567 1.3691 1.3691 1.3746 1.3746 1.8568 1.8568 1.8887 1.8887 2.1253 2.1253 2.6145 2.6145 2.6398 2.6398 2.7217 2.7217 2.7269 2.7269 2.9707 2.9707 3.2750 3.2750 3.9713 3.9713 4.0090 4.0090 4.5623 4.5623 4.6394 4.6394 4.7124 4.7124 4.7513 4.7513 4.8810 4.8810 4.9450 4.9450 5.0552 5.0552 5.0862 5.0862 5.1741 5.1741 5.1937 5.1937 5.2626 5.2626 5.7609 5.7609 6.5090 6.5090 7.2204 7.2204 7.2346 7.2346 7.4548 7.4548 7.9317 7.9317 8.0170 8.0170 8.0187 8.0187 8.0459 8.0459 8.3328 8.3328 8.3585 8.3585 8.4814 8.4814 8.7722 8.7722 9.0628 9.0628 9.0679 9.0679 9.3945 9.3945 9.4279 9.4279 9.4328 9.4328 k = 0.0417 0.0241-0.0000 ( 14147 PWs) bands (ev): -33.9706 -33.9706 -33.9668 -33.9668 -15.2436 -15.2436 -15.2300 -15.2300 -14.8746 -14.8746 -14.8680 -14.8680 -14.8659 -14.8659 -14.8209 -14.8209 -2.7340 -2.7340 -0.7701 -0.7701 -0.1659 -0.1659 0.0766 0.0766 0.1108 0.1108 0.4206 0.4206 1.3688 1.3688 1.3883 1.3883 1.7829 1.7829 1.8774 1.8774 2.1890 2.1890 2.5533 2.5533 2.6368 2.6368 2.7333 2.7333 2.7446 2.7446 3.0281 3.0281 3.2955 3.2955 3.9728 3.9728 4.0115 4.0115 4.5636 4.5636 4.6360 4.6360 4.7073 4.7073 4.7676 4.7676 4.8808 4.8808 4.9430 4.9430 5.0391 5.0391 5.1000 5.1000 5.1747 5.1747 5.1926 5.1926 5.2627 5.2627 5.7650 5.7650 6.4815 6.4815 7.1568 7.1568 7.2122 7.2122 7.4706 7.4706 7.9346 7.9346 7.9798 7.9798 8.0445 8.0445 8.1027 8.1027 8.2687 8.2687 8.3453 8.3453 8.5001 8.5001 8.8138 8.8138 9.0712 9.0712 9.0763 9.0763 9.3379 9.3379 9.3643 9.3643 9.4115 9.4115 k = 0.0625 0.0361-0.0000 ( 14147 PWs) bands (ev): -33.9706 -33.9706 -33.9668 -33.9668 -15.2436 -15.2436 -15.2300 -15.2300 -14.8746 -14.8746 -14.8680 -14.8680 -14.8659 -14.8659 -14.8209 -14.8209 -2.7275 -2.7275 -0.7641 -0.7641 -0.2253 -0.2253 0.0607 0.0607 0.1007 0.1007 0.4965 0.4965 1.3693 1.3693 1.4111 1.4111 1.6974 1.6974 1.8598 1.8598 2.2554 2.2554 2.4764 2.4764 2.6322 2.6322 2.7534 2.7534 2.7739 2.7739 3.0979 3.0979 3.3293 3.3293 3.9746 3.9746 4.0165 4.0165 4.5659 4.5659 4.6310 4.6310 4.7030 4.7030 4.7895 4.7895 4.8805 4.8805 4.9397 4.9397 5.0218 5.0218 5.1134 5.1134 5.1757 5.1757 5.1909 5.1909 5.2630 5.2630 5.7719 5.7719 6.4374 6.4374 7.0635 7.0635 7.1849 7.1849 7.4966 7.4966 7.9157 7.9157 7.9394 7.9394 8.0734 8.0734 8.1910 8.1910 8.1929 8.1929 8.3286 8.3286 8.5026 8.5026 8.8776 8.8776 9.0806 9.0806 9.0872 9.0872 9.2271 9.2271 9.3085 9.3085 9.3847 9.3847 k = 0.0833 0.0481-0.0000 ( 14159 PWs) bands (ev): -33.9706 -33.9706 -33.9668 -33.9668 -15.2436 -15.2436 -15.2300 -15.2300 -14.8747 -14.8747 -14.8680 -14.8680 -14.8659 -14.8659 -14.8209 -14.8209 -2.7184 -2.7184 -0.7558 -0.7558 -0.2997 -0.2997 0.0565 0.0565 0.0872 0.0872 0.5741 0.5741 1.3726 1.3726 1.4422 1.4422 1.6079 1.6079 1.8372 1.8372 2.3147 2.3147 2.3934 2.3934 2.6259 2.6259 2.7847 2.7847 2.8132 2.8132 3.1708 3.1708 3.3749 3.3749 3.9763 3.9763 4.0248 4.0248 4.5692 4.5692 4.6252 4.6252 4.6996 4.6996 4.8154 4.8154 4.8806 4.8806 4.9344 4.9344 5.0032 5.0032 5.1264 5.1264 5.1771 5.1771 5.1890 5.1890 5.2636 5.2636 5.7814 5.7814 6.3798 6.3798 6.9511 6.9511 7.1596 7.1596 7.5327 7.5327 7.8293 7.8293 7.9459 7.9459 8.0997 8.0997 8.1067 8.1067 8.3029 8.3029 8.3123 8.3123 8.4846 8.4846 8.9522 8.9522 9.0855 9.0855 9.0996 9.0996 9.1072 9.1072 9.2371 9.2371 9.3531 9.3531 k = 0.1042 0.0601-0.0000 ( 14155 PWs) bands (ev): -33.9706 -33.9706 -33.9668 -33.9668 -15.2436 -15.2436 -15.2300 -15.2300 -14.8747 -14.8747 -14.8680 -14.8680 -14.8659 -14.8659 -14.8209 -14.8209 -2.7067 -2.7067 -0.7450 -0.7450 -0.3822 -0.3822 0.0601 0.0601 0.0710 0.0710 0.6478 0.6478 1.3817 1.3817 1.4812 1.4812 1.5172 1.5172 1.8109 1.8109 2.3074 2.3074 2.3627 2.3627 2.6182 2.6182 2.8294 2.8294 2.8610 2.8610 3.2434 3.2434 3.4296 3.4296 3.9789 3.9789 4.0364 4.0364 4.5738 4.5738 4.6192 4.6192 4.6968 4.6968 4.8426 4.8426 4.8831 4.8831 4.9267 4.9267 4.9838 4.9838 5.1382 5.1382 5.1791 5.1791 5.1877 5.1877 5.2648 5.2648 5.7935 5.7935 6.3129 6.3129 6.8273 6.8273 7.1395 7.1395 7.5783 7.5783 7.7252 7.7252 7.9542 7.9542 8.0175 8.0175 8.1220 8.1220 8.2955 8.2955 8.4269 8.4269 8.4463 8.4463 8.9818 8.9818 9.0002 9.0002 9.0854 9.0854 9.1123 9.1123 9.1847 9.1847 9.3171 9.3171 k = 0.1250 0.0722-0.0000 ( 14167 PWs) bands (ev): -33.9706 -33.9706 -33.9668 -33.9668 -15.2436 -15.2436 -15.2300 -15.2300 -14.8747 -14.8747 -14.8680 -14.8680 -14.8659 -14.8659 -14.8209 -14.8209 -2.6924 -2.6924 -0.7320 -0.7320 -0.4684 -0.4684 0.0525 0.0525 0.0692 0.0692 0.7130 0.7130 1.4001 1.4001 1.4262 1.4262 1.5276 1.5276 1.7822 1.7822 2.2212 2.2212 2.3972 2.3972 2.6093 2.6093 2.8875 2.8875 2.9158 2.9158 3.3151 3.3151 3.4893 3.4893 3.9840 3.9840 4.0504 4.0504 4.5798 4.5798 4.6130 4.6130 4.6943 4.6943 4.8610 4.8610 4.8942 4.8942 4.9174 4.9174 4.9650 4.9650 5.1473 5.1473 5.1817 5.1817 5.1891 5.1891 5.2670 5.2670 5.8081 5.8081 6.2414 6.2414 6.6972 6.6972 7.1254 7.1254 7.6081 7.6081 7.6330 7.6330 7.9255 7.9255 7.9642 7.9642 8.1387 8.1387 8.2805 8.2805 8.3905 8.3905 8.5559 8.5559 8.8576 8.8576 8.9448 8.9448 9.0831 9.0831 9.1244 9.1244 9.2157 9.2157 9.2792 9.2792 k = 0.1458 0.0842-0.0000 ( 14163 PWs) bands (ev): -33.9706 -33.9706 -33.9668 -33.9668 -15.2436 -15.2436 -15.2300 -15.2300 -14.8747 -14.8747 -14.8680 -14.8680 -14.8659 -14.8659 -14.8209 -14.8209 -2.6756 -2.6756 -0.7166 -0.7166 -0.5561 -0.5561 0.0325 0.0325 0.0822 0.0822 0.7661 0.7661 1.3357 1.3357 1.4316 1.4316 1.5804 1.5804 1.7521 1.7521 2.1350 2.1350 2.4202 2.4202 2.5993 2.5993 2.9571 2.9571 2.9766 2.9766 3.3860 3.3860 3.5487 3.5487 3.9946 3.9946 4.0661 4.0661 4.5877 4.5877 4.6068 4.6068 4.6918 4.6918 4.8648 4.8648 4.8872 4.8872 4.9331 4.9331 4.9512 4.9512 5.1517 5.1517 5.1852 5.1852 5.1957 5.1957 5.2706 5.2706 5.8250 5.8250 6.1700 6.1700 6.5644 6.5644 7.1168 7.1168 7.4822 7.4822 7.6959 7.6959 7.8322 7.8322 7.9754 7.9754 8.1491 8.1491 8.2662 8.2662 8.3214 8.3214 8.6735 8.6735 8.7446 8.7446 8.8338 8.8338 9.0810 9.0810 9.1363 9.1363 9.2357 9.2357 9.2574 9.2574 k = 0.1667 0.0962-0.0000 ( 14149 PWs) bands (ev): -33.9706 -33.9706 -33.9668 -33.9668 -15.2436 -15.2436 -15.2300 -15.2300 -14.8747 -14.8747 -14.8680 -14.8680 -14.8659 -14.8659 -14.8209 -14.8209 -2.6563 -2.6563 -0.6989 -0.6989 -0.6442 -0.6442 0.0114 0.0114 0.0984 0.0984 0.8045 0.8045 1.2464 1.2464 1.4785 1.4785 1.6393 1.6393 1.7215 1.7215 2.0496 2.0496 2.4340 2.4340 2.5885 2.5885 3.0351 3.0351 3.0423 3.0423 3.4558 3.4558 3.6027 3.6027 4.0136 4.0136 4.0822 4.0822 4.5972 4.5972 4.6014 4.6014 4.6890 4.6890 4.8562 4.8562 4.8661 4.8661 4.9313 4.9313 4.9776 4.9776 5.1512 5.1512 5.1898 5.1898 5.2082 5.2082 5.2763 5.2763 5.8441 5.8441 6.1024 6.1024 6.4315 6.4315 7.1125 7.1125 7.3505 7.3505 7.7379 7.7379 7.7666 7.7666 7.9874 7.9874 8.1509 8.1509 8.2428 8.2428 8.2530 8.2530 8.5972 8.5972 8.7102 8.7102 8.8197 8.8197 9.0795 9.0795 9.1485 9.1485 9.1898 9.1898 9.2120 9.2120 k = 0.1875 0.1083-0.0000 ( 14155 PWs) bands (ev): -33.9706 -33.9706 -33.9668 -33.9668 -15.2436 -15.2436 -15.2300 -15.2300 -14.8747 -14.8747 -14.8680 -14.8680 -14.8659 -14.8659 -14.8209 -14.8209 -2.6346 -2.6346 -0.7319 -0.7319 -0.6789 -0.6789 -0.0101 -0.0101 0.1175 0.1175 0.8281 0.8281 1.1583 1.1583 1.5412 1.5412 1.6911 1.6911 1.7037 1.7037 1.9656 1.9656 2.4413 2.4413 2.5772 2.5772 3.1121 3.1121 3.1186 3.1186 3.5224 3.5224 3.6478 3.6478 4.0430 4.0430 4.0982 4.0982 4.5938 4.5938 4.6120 4.6120 4.6856 4.6856 4.8192 4.8192 4.8630 4.8630 4.9193 4.9193 5.0192 5.0192 5.1484 5.1484 5.1955 5.1955 5.2252 5.2252 5.2854 5.2854 5.8652 5.8652 6.0418 6.0418 6.3007 6.3007 7.1118 7.1118 7.2154 7.2154 7.6435 7.6435 7.8439 7.8439 7.9984 7.9984 8.1386 8.1386 8.1610 8.1610 8.2391 8.2391 8.4744 8.4744 8.5903 8.5903 8.9181 8.9181 9.0752 9.0752 9.0781 9.0781 9.1617 9.1617 9.1994 9.1994 k = 0.2083 0.1203-0.0000 ( 14157 PWs) bands (ev): -33.9706 -33.9706 -33.9668 -33.9668 -15.2436 -15.2436 -15.2300 -15.2300 -14.8747 -14.8747 -14.8680 -14.8680 -14.8659 -14.8659 -14.8209 -14.8209 -2.6104 -2.6104 -0.8185 -0.8185 -0.6568 -0.6568 -0.0318 -0.0318 0.1391 0.1391 0.8389 0.8389 1.0718 1.0718 1.6173 1.6173 1.6614 1.6614 1.7730 1.7730 1.8839 1.8839 2.4442 2.4442 2.5657 2.5657 3.1854 3.1854 3.2051 3.2051 3.5810 3.5810 3.6853 3.6853 4.0792 4.0792 4.1162 4.1162 4.5872 4.5872 4.6298 4.6298 4.6806 4.6806 4.7762 4.7762 4.8601 4.8601 4.9069 4.9069 5.0611 5.0611 5.1448 5.1448 5.2024 5.2024 5.2463 5.2463 5.2991 5.2991 5.8881 5.8881 5.9901 5.9901 6.1740 6.1740 7.0785 7.0785 7.1138 7.1138 7.5495 7.5495 7.9259 7.9259 8.0012 8.0012 8.0745 8.0745 8.1121 8.1121 8.2260 8.2260 8.3523 8.3523 8.4883 8.4883 8.9451 8.9451 8.9625 8.9625 9.0696 9.0696 9.1762 9.1762 9.2426 9.2426 k = 0.2292 0.1323-0.0000 ( 14145 PWs) bands (ev): -33.9706 -33.9706 -33.9668 -33.9668 -15.2436 -15.2436 -15.2300 -15.2300 -14.8747 -14.8747 -14.8680 -14.8680 -14.8659 -14.8659 -14.8209 -14.8209 -2.5840 -2.5840 -0.9038 -0.9038 -0.6325 -0.6325 -0.0531 -0.0531 0.1630 0.1630 0.8401 0.8401 0.9871 0.9871 1.6326 1.6326 1.6996 1.6996 1.8091 1.8091 1.8471 1.8471 2.4439 2.4439 2.5540 2.5540 3.2616 3.2616 3.2929 3.2929 3.6229 3.6229 3.7229 3.7229 4.1006 4.1006 4.1525 4.1525 4.5801 4.5801 4.6533 4.6533 4.6709 4.6709 4.7342 4.7342 4.8568 4.8568 4.8939 4.8939 5.0994 5.0994 5.1417 5.1417 5.2104 5.2104 5.2730 5.2730 5.3190 5.3190 5.9122 5.9122 5.9483 5.9483 6.0542 6.0542 6.9416 6.9416 7.1177 7.1177 7.4566 7.4566 7.9518 7.9518 7.9929 7.9929 8.0213 8.0213 8.0879 8.0879 8.2132 8.2132 8.2328 8.2328 8.4143 8.4143 8.8143 8.8143 8.9522 8.9522 9.0503 9.0503 9.1925 9.1925 9.3354 9.3354 k = 0.2500 0.1443-0.0000 ( 14137 PWs) bands (ev): -33.9706 -33.9706 -33.9668 -33.9668 -15.2436 -15.2436 -15.2300 -15.2300 -14.8747 -14.8747 -14.8680 -14.8680 -14.8659 -14.8659 -14.8209 -14.8209 -2.5553 -2.5553 -0.9875 -0.9875 -0.6061 -0.6061 -0.0738 -0.0738 0.1890 0.1890 0.8346 0.8346 0.9044 0.9044 1.6053 1.6053 1.7069 1.7069 1.8203 1.8203 1.9252 1.9252 2.4417 2.4417 2.5425 2.5425 3.3399 3.3399 3.3806 3.3806 3.6436 3.6436 3.7648 3.7648 4.1000 4.1000 4.2068 4.2068 4.5723 4.5723 4.6478 4.6478 4.6844 4.6844 4.7056 4.7056 4.8531 4.8531 4.8802 4.8802 5.1289 5.1289 5.1412 5.1412 5.2190 5.2190 5.3076 5.3076 5.3458 5.3458 5.9063 5.9063 5.9411 5.9411 5.9494 5.9494 6.8055 6.8055 7.1231 7.1231 7.3653 7.3653 7.8528 7.8528 7.9104 7.9104 8.0880 8.0880 8.1136 8.1136 8.1165 8.1165 8.2012 8.2012 8.3608 8.3608 8.6948 8.6948 8.9200 8.9200 9.0101 9.0101 9.2108 9.2108 9.4106 9.4106 k = 0.2708 0.1564-0.0000 ( 14143 PWs) bands (ev): -33.9706 -33.9706 -33.9668 -33.9668 -15.2436 -15.2436 -15.2300 -15.2300 -14.8747 -14.8747 -14.8680 -14.8680 -14.8659 -14.8659 -14.8209 -14.8209 -2.5245 -2.5245 -1.0693 -1.0693 -0.5778 -0.5778 -0.0935 -0.0935 0.2170 0.2170 0.8230 0.8230 0.8261 0.8261 1.5796 1.5796 1.6359 1.6359 1.9183 1.9183 2.0072 2.0072 2.4382 2.4382 2.5313 2.5313 3.4199 3.4199 3.4671 3.4671 3.6494 3.6494 3.8039 3.8039 4.0831 4.0831 4.2657 4.2657 4.5633 4.5633 4.6141 4.6141 4.6931 4.6931 4.7246 4.7246 4.8487 4.8487 4.8660 4.8660 5.1342 5.1342 5.1583 5.1583 5.2277 5.2277 5.3511 5.3511 5.3793 5.3793 5.8286 5.8286 5.9039 5.9039 5.9680 5.9680 6.6713 6.6713 7.1292 7.1292 7.2764 7.2764 7.7191 7.7191 7.8304 7.8304 8.0036 8.0036 8.1077 8.1077 8.1896 8.1896 8.1907 8.1907 8.3146 8.3146 8.6030 8.6030 8.8810 8.8810 8.9441 8.9441 9.2312 9.2312 9.3844 9.3844 k = 0.2917 0.1684-0.0000 ( 14155 PWs) bands (ev): -33.9706 -33.9706 -33.9668 -33.9668 -15.2436 -15.2436 -15.2300 -15.2300 -14.8747 -14.8747 -14.8680 -14.8680 -14.8659 -14.8659 -14.8209 -14.8209 -2.4918 -2.4918 -1.1489 -1.1489 -0.5477 -0.5477 -0.1122 -0.1122 0.2466 0.2466 0.7460 0.7460 0.8134 0.8134 1.5557 1.5557 1.5618 1.5618 2.0266 2.0266 2.0928 2.0928 2.4339 2.4339 2.5206 2.5206 3.5008 3.5008 3.5512 3.5512 3.6475 3.6475 3.8317 3.8317 4.0481 4.0481 4.3245 4.3245 4.5520 4.5520 4.5853 4.5853 4.6868 4.6868 4.7738 4.7738 4.8427 4.8427 4.8534 4.8534 5.1331 5.1331 5.1768 5.1768 5.2363 5.2363 5.4017 5.4017 5.4180 5.4180 5.7415 5.7415 5.8899 5.8899 5.9965 5.9965 6.5399 6.5399 7.1356 7.1356 7.1910 7.1910 7.5696 7.5696 7.7558 7.7558 7.8959 7.8959 8.1299 8.1299 8.1670 8.1670 8.1788 8.1788 8.3463 8.3463 8.5506 8.5506 8.8404 8.8404 8.8560 8.8560 9.2537 9.2537 9.3778 9.3778 k = 0.3125 0.1804-0.0000 ( 14163 PWs) bands (ev): -33.9706 -33.9706 -33.9668 -33.9668 -15.2436 -15.2436 -15.2300 -15.2300 -14.8747 -14.8747 -14.8680 -14.8680 -14.8659 -14.8659 -14.8209 -14.8209 -2.4572 -2.4572 -1.2260 -1.2260 -0.5160 -0.5160 -0.1295 -0.1295 0.2775 0.2775 0.6708 0.6708 0.8008 0.8008 1.4893 1.4893 1.5337 1.5337 2.1395 2.1395 2.1817 2.1817 2.4292 2.4292 2.5106 2.5106 3.5819 3.5819 3.6311 3.6311 3.6426 3.6426 3.8429 3.8429 3.9943 3.9943 4.3810 4.3810 4.5393 4.5393 4.5676 4.5676 4.6821 4.6821 4.8214 4.8214 4.8349 4.8349 4.8543 4.8543 5.1322 5.1322 5.1925 5.1925 5.2451 5.2451 5.4556 5.4556 5.4584 5.4584 5.6722 5.6722 5.8858 5.8858 6.0259 6.0259 6.4122 6.4122 7.1087 7.1087 7.1427 7.1427 7.4127 7.4127 7.6875 7.6875 7.7939 7.7939 8.0572 8.0572 8.1549 8.1549 8.1693 8.1693 8.4413 8.4413 8.5293 8.5293 8.7528 8.7528 8.8013 8.8013 9.2781 9.2781 9.3290 9.3290 k = 0.3333 0.1925-0.0000 ( 14143 PWs) bands (ev): -33.9706 -33.9706 -33.9668 -33.9668 -15.2436 -15.2436 -15.2300 -15.2300 -14.8747 -14.8747 -14.8680 -14.8680 -14.8659 -14.8659 -14.8209 -14.8209 -2.4212 -2.4212 -1.3002 -1.3002 -0.4829 -0.4829 -0.1454 -0.1454 0.3094 0.3094 0.5987 0.5987 0.7885 0.7885 1.4192 1.4192 1.5138 1.5138 2.2555 2.2555 2.2736 2.2736 2.4244 2.4244 2.5016 2.5016 3.6328 3.6328 3.6625 3.6625 3.7088 3.7088 3.8354 3.8354 3.9234 3.9234 4.4333 4.4333 4.5290 4.5290 4.5577 4.5577 4.6777 4.6777 4.8144 4.8144 4.8346 4.8346 4.9116 4.9116 5.1318 5.1318 5.2066 5.2066 5.2544 5.2544 5.4824 5.4824 5.5136 5.5136 5.6380 5.6380 5.8889 5.8889 6.0556 6.0556 6.2891 6.2891 7.0328 7.0328 7.1476 7.1476 7.2524 7.2524 7.6260 7.6260 7.6990 7.6990 7.9287 7.9287 8.1585 8.1585 8.1833 8.1833 8.5202 8.5202 8.5496 8.5496 8.6426 8.6426 8.7638 8.7638 9.2752 9.2752 9.3065 9.3065 k = 0.3542 0.2045-0.0000 ( 14135 PWs) bands (ev): -33.9706 -33.9706 -33.9668 -33.9668 -15.2436 -15.2436 -15.2300 -15.2300 -14.8747 -14.8747 -14.8680 -14.8680 -14.8659 -14.8659 -14.8208 -14.8208 -2.3842 -2.3842 -1.3712 -1.3712 -0.4488 -0.4488 -0.1596 -0.1596 0.3417 0.3417 0.5300 0.5300 0.7774 0.7774 1.3522 1.3522 1.4961 1.4961 2.3670 2.3670 2.3742 2.3742 2.4199 2.4199 2.4942 2.4942 3.6242 3.6242 3.7403 3.7403 3.7723 3.7723 3.8155 3.8155 3.8405 3.8405 4.4787 4.4787 4.5232 4.5232 4.5527 4.5527 4.6730 4.6730 4.8008 4.8008 4.8299 4.8299 4.9867 4.9867 5.1320 5.1320 5.2199 5.2199 5.2646 5.2646 5.4781 5.4781 5.5680 5.5680 5.6581 5.6581 5.8976 5.8976 6.0851 6.0851 6.1718 6.1718 6.9631 6.9631 7.0905 7.0905 7.1515 7.1515 7.5719 7.5719 7.6130 7.6130 7.7956 7.7956 8.1504 8.1504 8.2114 8.2114 8.5223 8.5223 8.5301 8.5301 8.6554 8.6554 8.7293 8.7293 9.2288 9.2288 9.3348 9.3348 k = 0.3750 0.2165-0.0000 ( 14131 PWs) bands (ev): -33.9706 -33.9706 -33.9668 -33.9668 -15.2436 -15.2436 -15.2300 -15.2300 -14.8747 -14.8747 -14.8680 -14.8680 -14.8659 -14.8659 -14.8208 -14.8208 -2.3465 -2.3465 -1.4383 -1.4383 -0.4143 -0.4143 -0.1721 -0.1721 0.3737 0.3737 0.4655 0.4655 0.7681 0.7681 1.2890 1.2890 1.4806 1.4806 2.4153 2.4153 2.4561 2.4561 2.4932 2.4932 2.4962 2.4962 3.6154 3.6154 3.7385 3.7385 3.7566 3.7566 3.8190 3.8190 3.8562 3.8562 4.5032 4.5032 4.5317 4.5317 4.5526 4.5526 4.6678 4.6678 4.7885 4.7885 4.8245 4.8245 5.0620 5.0620 5.1333 5.1333 5.2331 5.2331 5.2757 5.2757 5.4664 5.4664 5.6174 5.6174 5.7140 5.7140 5.9103 5.9103 6.0614 6.0614 6.1140 6.1140 6.9008 6.9008 6.9293 6.9293 7.1525 7.1525 7.5217 7.5217 7.5417 7.5417 7.6643 7.6643 8.1431 8.1431 8.2408 8.2408 8.4193 8.4193 8.5241 8.5241 8.6979 8.6979 8.7631 8.7631 9.1888 9.1888 9.3657 9.3657 k = 0.3958 0.2285-0.0000 ( 14113 PWs) bands (ev): -33.9706 -33.9706 -33.9668 -33.9668 -15.2436 -15.2436 -15.2300 -15.2300 -14.8747 -14.8747 -14.8680 -14.8680 -14.8659 -14.8659 -14.8208 -14.8208 -2.3092 -2.3092 -1.5007 -1.5007 -0.3801 -0.3801 -0.1829 -0.1829 0.4041 0.4041 0.4062 0.4062 0.7612 0.7612 1.2302 1.2302 1.4674 1.4674 2.4115 2.4115 2.4738 2.4738 2.5716 2.5716 2.6143 2.6143 3.6057 3.6057 3.6427 3.6427 3.6928 3.6928 3.8885 3.8885 3.9149 3.9149 4.4996 4.4996 4.5512 4.5512 4.5652 4.5652 4.6621 4.6621 4.7785 4.7785 4.8188 4.8188 5.1183 5.1183 5.1430 5.1430 5.2464 5.2464 5.2879 5.2879 5.4757 5.4757 5.6600 5.6600 5.7833 5.7833 5.9257 5.9257 5.9598 5.9598 6.1413 6.1413 6.7693 6.7693 6.8470 6.8470 7.1498 7.1498 7.4646 7.4646 7.4967 7.4967 7.5408 7.5408 8.1368 8.1368 8.2704 8.2704 8.3143 8.3143 8.5237 8.5237 8.6708 8.6708 8.8678 8.8678 9.1575 9.1575 9.3983 9.3983 k = 0.4167 0.2406-0.0000 ( 14107 PWs) bands (ev): -33.9706 -33.9706 -33.9668 -33.9668 -15.2436 -15.2436 -15.2300 -15.2300 -14.8747 -14.8747 -14.8680 -14.8680 -14.8659 -14.8659 -14.8208 -14.8208 -2.2733 -2.2733 -1.5570 -1.5570 -0.3474 -0.3474 -0.1917 -0.1917 0.3522 0.3522 0.4328 0.4328 0.7571 0.7571 1.1770 1.1770 1.4566 1.4566 2.4082 2.4082 2.4702 2.4702 2.6724 2.6724 2.7352 2.7352 3.5344 3.5344 3.6015 3.6015 3.6160 3.6160 3.9517 3.9517 3.9677 3.9677 4.4912 4.4912 4.5578 4.5578 4.5895 4.5895 4.6561 4.6561 4.7712 4.7712 4.8129 4.8129 5.1288 5.1288 5.1748 5.1748 5.2606 5.2606 5.3008 5.3008 5.5218 5.5218 5.6949 5.6949 5.8554 5.8554 5.8692 5.8692 5.9422 5.9422 6.1661 6.1661 6.6119 6.6119 6.8025 6.8025 7.1428 7.1428 7.4093 7.4093 7.4226 7.4226 7.4779 7.4779 8.1316 8.1316 8.2165 8.2165 8.3018 8.3018 8.5197 8.5197 8.6480 8.6480 8.9645 8.9645 9.1388 9.1388 9.4322 9.4322 k = 0.4375 0.2526-0.0000 ( 14098 PWs) bands (ev): -33.9706 -33.9706 -33.9668 -33.9668 -15.2436 -15.2436 -15.2300 -15.2300 -14.8747 -14.8747 -14.8680 -14.8680 -14.8659 -14.8659 -14.8208 -14.8208 -2.2406 -2.2406 -1.6056 -1.6056 -0.3178 -0.3178 -0.1987 -0.1987 0.3063 0.3063 0.4572 0.4572 0.7560 0.7560 1.1310 1.1310 1.4481 1.4481 2.4055 2.4055 2.4664 2.4664 2.7764 2.7764 2.8557 2.8557 3.4275 3.4275 3.5258 3.5258 3.5962 3.5962 4.0043 4.0043 4.0130 4.0130 4.4825 4.4825 4.5637 4.5637 4.6075 4.6075 4.6511 4.6511 4.7665 4.7665 4.8071 4.8071 5.1305 5.1305 5.1913 5.1913 5.2752 5.2752 5.3130 5.3130 5.6039 5.6039 5.7210 5.7210 5.7918 5.7918 5.9235 5.9235 5.9586 5.9586 6.1872 6.1872 6.4584 6.4584 6.7677 6.7677 7.1320 7.1320 7.3148 7.3148 7.3798 7.3798 7.4616 7.4616 8.1271 8.1271 8.1333 8.1333 8.3310 8.3310 8.5115 8.5115 8.6299 8.6299 9.0352 9.0352 9.1476 9.1476 9.4664 9.4668 k = 0.4583 0.2646-0.0000 ( 14098 PWs) bands (ev): -33.9706 -33.9706 -33.9668 -33.9668 -15.2436 -15.2436 -15.2300 -15.2300 -14.8747 -14.8747 -14.8680 -14.8680 -14.8659 -14.8659 -14.8208 -14.8208 -2.2137 -2.2137 -1.6440 -1.6440 -0.2935 -0.2935 -0.2036 -0.2036 0.2704 0.2704 0.4760 0.4760 0.7572 0.7572 1.0947 1.0947 1.4420 1.4420 2.4036 2.4036 2.4635 2.4635 2.8825 2.8825 2.9750 2.9750 3.3185 3.3185 3.4277 3.4277 3.5917 3.5917 4.0413 4.0413 4.0510 4.0510 4.4749 4.4749 4.5693 4.5693 4.6162 4.6162 4.6494 4.6494 4.7641 4.7641 4.8020 4.8020 5.1315 5.1315 5.1957 5.1957 5.2883 5.2883 5.3235 5.3235 5.7039 5.7039 5.7248 5.7248 5.7512 5.7512 5.9650 5.9650 5.9866 5.9866 6.2033 6.2033 6.3123 6.3123 6.7429 6.7429 7.1200 7.1200 7.2333 7.2333 7.3564 7.3564 7.4546 7.4546 8.0670 8.0670 8.1246 8.1246 8.3578 8.3578 8.4999 8.4999 8.6168 8.6168 9.0577 9.0577 9.2007 9.2007 9.4643 9.4644 k = 0.4792 0.2766-0.0000 ( 14096 PWs) bands (ev): -33.9706 -33.9706 -33.9667 -33.9667 -15.2436 -15.2436 -15.2300 -15.2300 -14.8747 -14.8747 -14.8680 -14.8680 -14.8659 -14.8659 -14.8208 -14.8208 -2.1956 -2.1956 -1.6690 -1.6690 -0.2772 -0.2772 -0.2066 -0.2066 0.2471 0.2471 0.4879 0.4879 0.7592 0.7592 1.0709 1.0709 1.4384 1.4384 2.4024 2.4024 2.4617 2.4617 2.9900 2.9900 3.0917 3.0917 3.2090 3.2090 3.3231 3.3231 3.5891 3.5891 4.0630 4.0630 4.0766 4.0766 4.4698 4.4698 4.5737 4.5737 4.6172 4.6172 4.6510 4.6510 4.7633 4.7633 4.7983 4.7983 5.1320 5.1320 5.1960 5.1960 5.2976 5.2976 5.3309 5.3309 5.6857 5.6857 5.7492 5.7492 5.8297 5.8297 5.9756 5.9756 6.0160 6.0160 6.1811 6.1811 6.2168 6.2168 6.7280 6.7280 7.1106 7.1106 7.1794 7.1794 7.3440 7.3440 7.4527 7.4527 8.0242 8.0242 8.1228 8.1228 8.3788 8.3788 8.4881 8.4881 8.6088 8.6088 9.0597 9.0597 9.2596 9.2596 9.4495 9.4495 k = 0.5000 0.2887-0.0000 ( 14094 PWs) bands (ev): -33.9706 -33.9706 -33.9668 -33.9668 -15.2436 -15.2436 -15.2300 -15.2300 -14.8747 -14.8747 -14.8680 -14.8680 -14.8659 -14.8659 -14.8208 -14.8208 -2.1891 -2.1891 -1.6777 -1.6777 -0.2715 -0.2715 -0.2076 -0.2076 0.2391 0.2391 0.4920 0.4920 0.7602 0.7602 1.0626 1.0626 1.4372 1.4372 2.4020 2.4020 2.4612 2.4612 3.0923 3.0923 3.1057 3.1057 3.1861 3.1861 3.2329 3.2329 3.5882 3.5882 4.0703 4.0703 4.0855 4.0855 4.4680 4.4680 4.5754 4.5754 4.6166 4.6166 4.6522 4.6522 4.7632 4.7632 4.7969 4.7969 5.1322 5.1322 5.1958 5.1958 5.3010 5.3010 5.3337 5.3337 5.6720 5.6720 5.7534 5.7534 5.9033 5.9033 5.9794 5.9794 6.0068 6.0068 6.1236 6.1236 6.2189 6.2189 6.7230 6.7230 7.1071 7.1071 7.1604 7.1604 7.3402 7.3402 7.4526 7.4526 8.0093 8.0093 8.1222 8.1222 8.3875 8.3875 8.4825 8.4825 8.6061 8.6061 9.0594 9.0594 9.2854 9.2854 9.4426 9.4427 k = 0.5000 0.2887-0.0000 ( 14094 PWs) bands (ev): -33.9706 -33.9706 -33.9668 -33.9668 -15.2436 -15.2436 -15.2300 -15.2300 -14.8747 -14.8747 -14.8680 -14.8680 -14.8659 -14.8659 -14.8208 -14.8208 -2.1891 -2.1891 -1.6777 -1.6777 -0.2715 -0.2715 -0.2076 -0.2076 0.2391 0.2391 0.4920 0.4920 0.7602 0.7602 1.0626 1.0626 1.4372 1.4372 2.4020 2.4020 2.4612 2.4612 3.0923 3.0923 3.1057 3.1057 3.1861 3.1861 3.2329 3.2329 3.5882 3.5882 4.0703 4.0703 4.0855 4.0855 4.4680 4.4680 4.5754 4.5754 4.6166 4.6166 4.6522 4.6522 4.7632 4.7632 4.7969 4.7969 5.1322 5.1322 5.1958 5.1958 5.3010 5.3010 5.3337 5.3337 5.6720 5.6720 5.7534 5.7534 5.9033 5.9033 5.9794 5.9794 6.0068 6.0068 6.1236 6.1236 6.2189 6.2189 6.7230 6.7230 7.1071 7.1071 7.1604 7.1604 7.3402 7.3402 7.4526 7.4526 8.0093 8.0093 8.1222 8.1222 8.3875 8.3875 8.4825 8.4825 8.6061 8.6061 9.0594 9.0594 9.2854 9.2854 9.4426 9.4427 k = 0.4881 0.3093-0.0000 ( 14084 PWs) bands (ev): -33.9706 -33.9706 -33.9668 -33.9668 -15.2436 -15.2436 -15.2300 -15.2300 -14.8746 -14.8746 -14.8680 -14.8680 -14.8659 -14.8659 -14.8208 -14.8208 -2.1877 -2.1877 -1.6785 -1.6785 -0.2701 -0.2701 -0.2163 -0.2163 0.2382 0.2382 0.4962 0.4962 0.7705 0.7705 1.0615 1.0615 1.4307 1.4307 2.4120 2.4120 2.4564 2.4564 3.0470 3.0470 3.0645 3.0645 3.2432 3.2432 3.2605 3.2605 3.5964 3.5964 4.0439 4.0439 4.1088 4.1088 4.4579 4.4579 4.5709 4.5709 4.6254 4.6254 4.6552 4.6552 4.7640 4.7640 4.7970 4.7970 5.1295 5.1295 5.1975 5.1975 5.2950 5.2950 5.3287 5.3287 5.6869 5.6869 5.7580 5.7580 5.9026 5.9026 5.9259 5.9259 6.0545 6.0545 6.1380 6.1380 6.2204 6.2204 6.7223 6.7223 7.0920 7.0920 7.1372 7.1372 7.3565 7.3565 7.4517 7.4517 8.0070 8.0070 8.1169 8.1169 8.3566 8.3566 8.4857 8.4857 8.6181 8.6181 9.0819 9.0819 9.2908 9.2908 9.4383 9.4383 k = 0.4762 0.3299-0.0000 ( 14094 PWs) bands (ev): -33.9706 -33.9706 -33.9668 -33.9668 -15.2436 -15.2436 -15.2300 -15.2300 -14.8747 -14.8747 -14.8680 -14.8680 -14.8659 -14.8659 -14.8208 -14.8208 -2.1835 -2.1835 -1.6809 -1.6809 -0.2662 -0.2662 -0.2405 -0.2405 0.2355 0.2355 0.5073 0.5073 0.8010 0.8010 1.0583 1.0583 1.4123 1.4123 2.4379 2.4379 2.4459 2.4459 2.9611 2.9611 3.0075 3.0075 3.3100 3.3100 3.3310 3.3310 3.6204 3.6204 4.0079 4.0079 4.1353 4.1353 4.4318 4.4318 4.5630 4.5630 4.6417 4.6417 4.6650 4.6650 4.7666 4.7666 4.7974 4.7974 5.1221 5.1221 5.2015 5.2015 5.2742 5.2742 5.3209 5.3209 5.7265 5.7265 5.7720 5.7720 5.8566 5.8566 5.9110 5.9110 6.0881 6.0881 6.1896 6.1896 6.2248 6.2248 6.7199 6.7199 7.0483 7.0483 7.0807 7.0807 7.3943 7.3943 7.4493 7.4493 8.0000 8.0000 8.1006 8.1006 8.2798 8.2798 8.4939 8.4939 8.6412 8.6412 9.1472 9.1472 9.3071 9.3071 9.4038 9.4038 k = 0.4643 0.3505-0.0000 ( 14094 PWs) bands (ev): -33.9706 -33.9706 -33.9668 -33.9668 -15.2436 -15.2436 -15.2300 -15.2300 -14.8746 -14.8746 -14.8680 -14.8680 -14.8659 -14.8659 -14.8208 -14.8208 -2.1766 -2.1766 -1.6851 -1.6851 -0.2771 -0.2771 -0.2588 -0.2588 0.2310 0.2310 0.5226 0.5226 0.8509 0.8509 1.0528 1.0528 1.3843 1.3843 2.4201 2.4201 2.4885 2.4885 2.8730 2.8730 2.9423 2.9423 3.3685 3.3685 3.4162 3.4162 3.6586 3.6586 3.9684 3.9684 4.1591 4.1591 4.3960 4.3960 4.5548 4.5548 4.6559 4.6559 4.6817 4.6817 4.7712 4.7712 4.7982 4.7982 5.1115 5.1115 5.2049 5.2049 5.2425 5.2425 5.3153 5.3153 5.7783 5.7783 5.7907 5.7907 5.8059 5.8059 5.9171 5.9171 6.1071 6.1071 6.2316 6.2316 6.2653 6.2653 6.7159 6.7159 6.9659 6.9659 7.0228 7.0228 7.4359 7.4359 7.4503 7.4503 7.9882 7.9882 8.0725 8.0725 8.1770 8.1770 8.5047 8.5047 8.6626 8.6626 9.2488 9.2488 9.3239 9.3239 9.3350 9.3350 k = 0.4524 0.3712-0.0000 ( 14082 PWs) bands (ev): -33.9706 -33.9706 -33.9668 -33.9668 -15.2436 -15.2436 -15.2300 -15.2300 -14.8746 -14.8746 -14.8680 -14.8680 -14.8659 -14.8659 -14.8208 -14.8208 -2.1668 -2.1668 -1.6912 -1.6912 -0.3203 -0.3203 -0.2495 -0.2495 0.2244 0.2244 0.5398 0.5398 0.9179 0.9179 1.0449 1.0449 1.3500 1.3500 2.3931 2.3931 2.5487 2.5487 2.7850 2.7850 2.8740 2.8740 3.4269 3.4269 3.5002 3.5002 3.7085 3.7085 3.9257 3.9257 4.1801 4.1801 4.3552 4.3552 4.5466 4.5466 4.6682 4.6682 4.7003 4.7003 4.7776 4.7776 4.8001 4.8001 5.0982 5.0982 5.1973 5.1973 5.2158 5.2158 5.3104 5.3104 5.7436 5.7436 5.8196 5.8196 5.8570 5.8570 5.9259 5.9259 6.1257 6.1257 6.2417 6.2417 6.3484 6.3484 6.7101 6.7101 6.8547 6.8547 6.9694 6.9694 7.4378 7.4378 7.4928 7.4928 7.9711 7.9711 8.0318 8.0318 8.0584 8.0584 8.5165 8.5165 8.6793 8.6793 9.2169 9.2169 9.3585 9.3585 9.3776 9.3776 k = 0.4405 0.3918-0.0000 ( 14088 PWs) bands (ev): -33.9706 -33.9706 -33.9668 -33.9668 -15.2436 -15.2436 -15.2300 -15.2300 -14.8746 -14.8746 -14.8680 -14.8680 -14.8659 -14.8659 -14.8208 -14.8208 -2.1543 -2.1543 -1.6995 -1.6995 -0.3669 -0.3669 -0.2373 -0.2373 0.2154 0.2154 0.5580 0.5580 0.9991 0.9991 1.0345 1.0345 1.3122 1.3122 2.3628 2.3628 2.6198 2.6198 2.6978 2.6978 2.8043 2.8043 3.4839 3.4839 3.5810 3.5810 3.7673 3.7673 3.8804 3.8804 4.1984 4.1984 4.3117 4.3117 4.5389 4.5389 4.6805 4.6805 4.7170 4.7170 4.7850 4.7850 4.8045 4.8045 5.0820 5.0820 5.1645 5.1645 5.2109 5.2109 5.3053 5.3053 5.7018 5.7018 5.8578 5.8578 5.9262 5.9262 5.9393 5.9393 6.1478 6.1478 6.2544 6.2544 6.4349 6.4349 6.7023 6.7023 6.7305 6.7305 6.9168 6.9168 7.4326 7.4326 7.5428 7.5428 7.9299 7.9299 7.9488 7.9488 7.9778 7.9778 8.5288 8.5288 8.6912 8.6912 9.0951 9.0951 9.2885 9.2885 9.4089 9.4132 k = 0.4286 0.4124-0.0000 ( 14082 PWs) bands (ev): -33.9706 -33.9706 -33.9668 -33.9668 -15.2436 -15.2436 -15.2300 -15.2300 -14.8746 -14.8746 -14.8680 -14.8680 -14.8659 -14.8659 -14.8208 -14.8208 -2.1389 -2.1389 -1.7104 -1.7104 -0.4136 -0.4136 -0.2223 -0.2223 0.2038 0.2038 0.5775 0.5775 1.0213 1.0213 1.0917 1.0917 1.2737 1.2737 2.3314 2.3314 2.6116 2.6116 2.6992 2.6992 2.7341 2.7341 3.5390 3.5390 3.6571 3.6571 3.8223 3.8223 3.8426 3.8426 4.2129 4.2129 4.2684 4.2684 4.5322 4.5322 4.6929 4.6929 4.7308 4.7308 4.7918 4.7918 4.8130 4.8130 5.0622 5.0622 5.1297 5.1297 5.2058 5.2058 5.2999 5.2999 5.6711 5.6711 5.9013 5.9013 5.9454 5.9454 6.0071 6.0071 6.1742 6.1742 6.2697 6.2697 6.5231 6.5231 6.6016 6.6016 6.6928 6.6928 6.8656 6.8656 7.4275 7.4275 7.5926 7.5926 7.7955 7.7955 7.9108 7.9108 7.9204 7.9204 8.5415 8.5415 8.6976 8.6976 8.9664 8.9664 9.2103 9.2103 9.3689 9.3689 k = 0.4167 0.4330-0.0000 ( 14122 PWs) bands (ev): -33.9706 -33.9706 -33.9668 -33.9668 -15.2437 -15.2437 -15.2300 -15.2300 -14.8747 -14.8747 -14.8680 -14.8680 -14.8660 -14.8660 -14.8208 -14.8208 -2.1208 -2.1208 -1.7242 -1.7242 -0.4582 -0.4582 -0.2046 -0.2046 0.1893 0.1893 0.5984 0.5984 1.0051 1.0051 1.1929 1.1929 1.2365 1.2365 2.3007 2.3007 2.5269 2.5269 2.6636 2.6636 2.7852 2.7852 3.5918 3.5918 3.7263 3.7263 3.7807 3.7807 3.9035 3.9035 4.2093 4.2093 4.2405 4.2405 4.5272 4.5272 4.7048 4.7048 4.7415 4.7415 4.7989 4.7989 4.8254 4.8254 5.0378 5.0378 5.0963 5.0963 5.1981 5.1981 5.2944 5.2944 5.6517 5.6517 5.9496 5.9496 5.9541 5.9541 6.0843 6.0843 6.2053 6.2053 6.2876 6.2876 6.4771 6.4771 6.6117 6.6117 6.6809 6.6809 6.8169 6.8169 7.4236 7.4236 7.6416 7.6416 7.6582 7.6582 7.8327 7.8327 7.8862 7.8862 8.5550 8.5550 8.6911 8.6911 8.8422 8.8422 9.1456 9.1456 9.3266 9.3266 k = 0.4048 0.4536-0.0000 ( 14114 PWs) bands (ev): -33.9706 -33.9706 -33.9668 -33.9668 -15.2436 -15.2436 -15.2300 -15.2300 -14.8747 -14.8747 -14.8680 -14.8680 -14.8659 -14.8659 -14.8208 -14.8208 -2.0999 -2.0999 -1.7412 -1.7412 -0.4989 -0.4989 -0.1841 -0.1841 0.1715 0.1715 0.6212 0.6212 0.9858 0.9858 1.2022 1.2022 1.3011 1.3011 2.2720 2.2720 2.4437 2.4437 2.5938 2.5938 2.8752 2.8752 3.6419 3.6419 3.7248 3.7248 3.7927 3.7927 3.9721 3.9721 4.1703 4.1703 4.2466 4.2466 4.5256 4.5256 4.7157 4.7157 4.7487 4.7487 4.8092 4.8092 4.8396 4.8396 5.0084 5.0084 5.0646 5.0646 5.1890 5.1890 5.2894 5.2894 5.6424 5.6424 5.9531 5.9531 6.0034 6.0034 6.1594 6.1594 6.2408 6.2408 6.3078 6.3078 6.3670 6.3670 6.6659 6.6659 6.7002 6.7002 6.7720 6.7720 7.4215 7.4215 7.5198 7.5198 7.6903 7.6903 7.7471 7.7471 7.8460 7.8460 8.5695 8.5695 8.6332 8.6332 8.7643 8.7643 9.0942 9.0942 9.2870 9.2870 k = 0.3929 0.4743-0.0000 ( 14124 PWs) bands (ev): -33.9706 -33.9706 -33.9668 -33.9668 -15.2436 -15.2436 -15.2300 -15.2300 -14.8747 -14.8747 -14.8680 -14.8680 -14.8659 -14.8659 -14.8208 -14.8208 -2.0763 -2.0763 -1.7616 -1.7616 -0.5345 -0.5345 -0.1610 -0.1610 0.1504 0.1504 0.6460 0.6460 0.9633 0.9633 1.1721 1.1721 1.4146 1.4146 2.2466 2.2466 2.3623 2.3623 2.5250 2.5250 2.9677 2.9677 3.6681 3.6681 3.6929 3.6929 3.8453 3.8453 4.0374 4.0374 4.1277 4.1277 4.2561 4.2561 4.5290 4.5290 4.7252 4.7252 4.7519 4.7519 4.8242 4.8242 4.8544 4.8544 4.9736 4.9736 5.0352 5.0352 5.1804 5.1804 5.2847 5.2847 5.6411 5.6411 5.9335 5.9335 6.0601 6.0601 6.2288 6.2288 6.2796 6.2796 6.2865 6.2865 6.3306 6.3306 6.6491 6.6491 6.7296 6.7296 6.7877 6.7877 7.3812 7.3812 7.4247 7.4247 7.6589 7.6589 7.7379 7.7379 7.8003 7.8003 8.5133 8.5133 8.5852 8.5852 8.7457 8.7457 9.0548 9.0548 9.2518 9.2518 k = 0.3810 0.4949-0.0000 ( 14144 PWs) bands (ev): -33.9706 -33.9706 -33.9668 -33.9668 -15.2437 -15.2437 -15.2300 -15.2300 -14.8747 -14.8747 -14.8680 -14.8680 -14.8659 -14.8659 -14.8209 -14.8209 -2.0499 -2.0499 -1.7857 -1.7857 -0.5642 -0.5642 -0.1351 -0.1351 0.1258 0.1258 0.6730 0.6730 0.9375 0.9375 1.1469 1.1469 1.5322 1.5322 2.2247 2.2247 2.2831 2.2831 2.4578 2.4578 3.0609 3.0609 3.6142 3.6142 3.7363 3.7363 3.8871 3.8871 4.0844 4.0844 4.0978 4.0978 4.2645 4.2645 4.5402 4.5402 4.7329 4.7329 4.7518 4.7518 4.8430 4.8430 4.8693 4.8693 4.9344 4.9344 5.0085 5.0085 5.1733 5.1733 5.2805 5.2805 5.6451 5.6451 5.8867 5.8867 6.1190 6.1190 6.2475 6.2475 6.2892 6.2892 6.3200 6.3200 6.3557 6.3557 6.6287 6.6287 6.6944 6.6944 6.8695 6.8695 7.2505 7.2505 7.4293 7.4293 7.5748 7.5748 7.7491 7.7491 7.7855 7.7855 8.3812 8.3812 8.6022 8.6022 8.7389 8.7389 9.0255 9.0255 9.2222 9.2222 k = 0.3690 0.5155-0.0000 ( 14140 PWs) bands (ev): -33.9706 -33.9706 -33.9668 -33.9668 -15.2436 -15.2436 -15.2300 -15.2300 -14.8747 -14.8747 -14.8680 -14.8680 -14.8659 -14.8659 -14.8209 -14.8209 -2.0207 -2.0207 -1.8134 -1.8134 -0.5873 -0.5873 -0.1066 -0.1066 0.0977 0.0977 0.7024 0.7024 0.9086 0.9086 1.1273 1.1273 1.6522 1.6522 2.1976 2.1976 2.2154 2.2154 2.3932 2.3932 3.1526 3.1526 3.5577 3.5577 3.7786 3.7786 3.9155 3.9155 4.0493 4.0493 4.1421 4.1421 4.2712 4.2712 4.5615 4.5615 4.7354 4.7354 4.7523 4.7523 4.8616 4.8616 4.8814 4.8814 4.8964 4.8964 4.9847 4.9847 5.1681 5.1681 5.2766 5.2766 5.6522 5.6522 5.8227 5.8227 6.1788 6.1788 6.2473 6.2473 6.3339 6.3339 6.3578 6.3578 6.3832 6.3832 6.6036 6.6036 6.6648 6.6648 6.9440 6.9440 7.1295 7.1295 7.4397 7.4397 7.5025 7.5025 7.6953 7.6953 7.8321 7.8321 8.2530 8.2530 8.6204 8.6204 8.7312 8.7312 9.0047 9.0047 9.1991 9.1991 k = 0.3571 0.5361-0.0000 ( 14120 PWs) bands (ev): -33.9706 -33.9706 -33.9668 -33.9668 -15.2437 -15.2437 -15.2300 -15.2300 -14.8747 -14.8747 -14.8680 -14.8680 -14.8660 -14.8660 -14.8208 -14.8208 -1.9888 -1.9888 -1.8447 -1.8447 -0.6037 -0.6037 -0.0753 -0.0753 0.0663 0.0663 0.7342 0.7342 0.8767 0.8767 1.1133 1.1133 1.7725 1.7725 2.1267 2.1267 2.1984 2.1984 2.3332 2.3332 3.2400 3.2400 3.5005 3.5005 3.8177 3.8177 3.9286 3.9286 4.0188 4.0188 4.1736 4.1736 4.2763 4.2763 4.5936 4.5936 4.7271 4.7271 4.7587 4.7587 4.8465 4.8465 4.8847 4.8847 4.8993 4.8993 4.9635 4.9635 5.1648 5.1648 5.2733 5.2733 5.6597 5.6597 5.7619 5.7619 6.2372 6.2372 6.2711 6.2711 6.3593 6.3593 6.3869 6.3869 6.4119 6.4119 6.5717 6.5717 6.6421 6.6421 6.9953 6.9953 7.0386 7.0386 7.4421 7.4421 7.4645 7.4645 7.6394 7.6394 7.8787 7.8787 8.1364 8.1364 8.6401 8.6401 8.7200 8.7200 8.9908 8.9908 9.1827 9.1827 k = 0.3452 0.5567-0.0000 ( 14108 PWs) bands (ev): -33.9706 -33.9706 -33.9668 -33.9668 -15.2437 -15.2437 -15.2300 -15.2300 -14.8746 -14.8746 -14.8680 -14.8680 -14.8660 -14.8660 -14.8208 -14.8208 -1.9541 -1.9541 -1.8793 -1.8793 -0.6133 -0.6133 -0.0414 -0.0414 0.0320 0.0320 0.7684 0.7684 0.8421 0.8421 1.1051 1.1051 1.8876 1.8876 2.0530 2.0530 2.1910 2.1910 2.2829 2.2829 3.3189 3.3189 3.4433 3.4433 3.8523 3.8523 3.9261 3.9261 3.9975 3.9975 4.1906 4.1906 4.2795 4.2795 4.6334 4.6334 4.7074 4.7074 4.7699 4.7699 4.8126 4.8126 4.8999 4.8999 4.9084 4.9084 4.9452 4.9452 5.1630 5.1630 5.2709 5.2709 5.6638 5.6638 5.7219 5.7219 6.2908 6.2908 6.3097 6.3097 6.3614 6.3614 6.3928 6.3928 6.4447 6.4447 6.5313 6.5313 6.6274 6.6274 6.9480 6.9480 7.0601 7.0601 7.4143 7.4143 7.4900 7.4900 7.5842 7.5842 7.9254 7.9254 8.0402 8.0402 8.6612 8.6612 8.7042 8.7042 8.9830 8.9830 9.1732 9.1732 k = 0.3333 0.5774-0.0000 ( 14118 PWs) bands (ev): -33.9706 -33.9706 -33.9668 -33.9668 -15.2436 -15.2436 -15.2300 -15.2300 -14.8747 -14.8747 -14.8680 -14.8680 -14.8659 -14.8659 -14.8208 -14.8208 -1.9168 -1.9168 -1.9167 -1.9167 -0.6165 -0.6165 -0.0050 -0.0050 -0.0046 -0.0046 0.8047 0.8047 0.8057 0.8057 1.1024 1.1024 1.9803 1.9803 1.9817 1.9817 2.1886 2.1886 2.2585 2.2585 3.3768 3.3768 3.3938 3.3938 3.8721 3.8721 3.9172 3.9172 3.9893 3.9893 4.1955 4.1955 4.2806 4.2806 4.6682 4.6682 4.6810 4.6810 4.7844 4.7844 4.7897 4.7897 4.9065 4.9065 4.9139 4.9139 4.9350 4.9350 5.1625 5.1625 5.2700 5.2700 5.6626 5.6626 5.7108 5.7108 6.3340 6.3340 6.3367 6.3367 6.3553 6.3553 6.3651 6.3651 6.4850 6.4850 6.4865 6.4865 6.6223 6.6223 6.9243 6.9243 7.0762 7.0762 7.4053 7.4053 7.5278 7.5278 7.5361 7.5361 7.9656 7.9656 7.9813 7.9813 8.6834 8.6834 8.6837 8.6837 8.9805 8.9805 9.1700 9.1700 k = 0.3333 0.5774-0.0000 ( 14118 PWs) bands (ev): -33.9706 -33.9706 -33.9668 -33.9668 -15.2436 -15.2436 -15.2300 -15.2300 -14.8747 -14.8747 -14.8680 -14.8680 -14.8659 -14.8659 -14.8208 -14.8208 -1.9168 -1.9168 -1.9167 -1.9167 -0.6165 -0.6165 -0.0050 -0.0050 -0.0046 -0.0046 0.8047 0.8047 0.8057 0.8057 1.1024 1.1024 1.9803 1.9803 1.9817 1.9817 2.1886 2.1886 2.2585 2.2585 3.3768 3.3768 3.3938 3.3938 3.8721 3.8721 3.9172 3.9172 3.9893 3.9893 4.1955 4.1955 4.2806 4.2806 4.6682 4.6682 4.6810 4.6810 4.7844 4.7844 4.7897 4.7897 4.9065 4.9065 4.9139 4.9139 4.9350 4.9350 5.1625 5.1625 5.2700 5.2700 5.6626 5.6626 5.7108 5.7108 6.3340 6.3340 6.3367 6.3367 6.3553 6.3553 6.3651 6.3651 6.4850 6.4850 6.4865 6.4865 6.6223 6.6223 6.9243 6.9243 7.0762 7.0762 7.4053 7.4053 7.5278 7.5278 7.5361 7.5361 7.9656 7.9656 7.9813 7.9813 8.6834 8.6834 8.6837 8.6837 8.9805 8.9805 9.1700 9.1700 k = 0.3214 0.5567-0.0000 ( 14118 PWs) bands (ev): -33.9706 -33.9706 -33.9668 -33.9668 -15.2437 -15.2437 -15.2300 -15.2300 -14.8746 -14.8746 -14.8680 -14.8680 -14.8660 -14.8660 -14.8208 -14.8208 -1.9566 -1.9566 -1.8766 -1.8766 -0.6135 -0.6135 -0.0437 -0.0437 0.0345 0.0345 0.7663 0.7663 0.8444 0.8444 1.1050 1.1050 1.9110 1.9110 2.0168 2.0168 2.1909 2.1909 2.2957 2.2957 3.3277 3.3277 3.4329 3.4329 3.8453 3.8453 3.9329 3.9329 3.9988 3.9988 4.1917 4.1917 4.2794 4.2794 4.6325 4.6325 4.7071 4.7071 4.7694 4.7694 4.8116 4.8116 4.9026 4.9026 4.9078 4.9078 4.9455 4.9455 5.1629 5.1629 5.2709 5.2709 5.6686 5.6686 5.7162 5.7162 6.2795 6.2795 6.2922 6.2922 6.3685 6.3685 6.4170 6.4170 6.4429 6.4429 6.5357 6.5357 6.6277 6.6277 6.9447 6.9447 7.0583 7.0583 7.4121 7.4121 7.4861 7.4861 7.5894 7.5894 7.9452 7.9452 8.0223 8.0223 8.6583 8.6583 8.7071 8.7071 8.9829 8.9829 9.1730 9.1730 k = 0.3095 0.5361-0.0000 ( 14114 PWs) bands (ev): -33.9706 -33.9706 -33.9668 -33.9668 -15.2437 -15.2437 -15.2300 -15.2300 -14.8746 -14.8746 -14.8680 -14.8680 -14.8660 -14.8660 -14.8208 -14.8208 -1.9984 -1.9984 -1.8338 -1.8338 -0.6047 -0.6047 -0.0841 -0.0841 0.0764 0.0764 0.7258 0.7258 0.8862 0.8862 1.1124 1.1124 1.8430 1.8430 1.9952 1.9952 2.1974 2.1974 2.3940 2.3940 3.2717 3.2717 3.4573 3.4573 3.7860 3.7860 3.9593 3.9593 4.0281 4.0281 4.1819 4.1819 4.2754 4.2754 4.5867 4.5867 4.7254 4.7254 4.7571 4.7571 4.8339 4.8339 4.8912 4.8912 4.9123 4.9123 4.9645 4.9645 5.1638 5.1638 5.2736 5.2736 5.6850 5.6850 5.7299 5.7299 6.1944 6.1944 6.2091 6.2091 6.3873 6.3873 6.4044 6.4044 6.4834 6.4834 6.5927 6.5927 6.6447 6.6447 6.9830 6.9830 7.0190 7.0190 7.4285 7.4285 7.4502 7.4502 7.6619 7.6619 7.9573 7.9573 8.0709 8.0709 8.6293 8.6293 8.7319 8.7319 8.9904 8.9904 9.1814 9.1814 k = 0.2976 0.5155-0.0000 ( 14134 PWs) bands (ev): -33.9706 -33.9706 -33.9668 -33.9668 -15.2437 -15.2437 -15.2300 -15.2300 -14.8747 -14.8747 -14.8680 -14.8680 -14.8660 -14.8660 -14.8209 -14.8209 -2.0417 -2.0417 -1.7882 -1.7882 -0.5908 -0.5908 -0.1256 -0.1256 0.1210 0.1210 0.6843 0.6843 0.9304 0.9304 1.1244 1.1244 1.7770 1.7770 1.9518 1.9518 2.2077 2.2077 2.5176 2.5176 3.2165 3.2165 3.4613 3.4613 3.7067 3.7067 3.9847 3.9847 4.0744 4.0744 4.1685 4.1685 4.2681 4.2681 4.5392 4.5392 4.7297 4.7297 4.7512 4.7512 4.8390 4.8390 4.8782 4.8782 4.9392 4.9392 4.9874 4.9874 5.1648 5.1648 5.2780 5.2780 5.6957 5.6957 5.7592 5.7592 6.1002 6.1002 6.1164 6.1164 6.3692 6.3692 6.3936 6.3936 6.5566 6.5566 6.6536 6.6536 6.6742 6.6742 6.9172 6.9172 7.0760 7.0760 7.4269 7.4269 7.4507 7.4507 7.7473 7.7473 8.0006 8.0006 8.1206 8.1206 8.5974 8.5974 8.7575 8.7575 9.0029 9.0029 9.1948 9.1948 k = 0.2857 0.4949-0.0000 ( 14134 PWs) bands (ev): -33.9706 -33.9706 -33.9668 -33.9668 -15.2437 -15.2437 -15.2300 -15.2300 -14.8747 -14.8747 -14.8680 -14.8680 -14.8659 -14.8659 -14.8208 -14.8208 -2.0858 -2.0858 -1.7400 -1.7400 -0.5721 -0.5721 -0.1678 -0.1678 0.1682 0.1682 0.6420 0.6420 0.9772 0.9772 1.1404 1.1404 1.7130 1.7130 1.9024 1.9024 2.2215 2.2215 2.6504 2.6504 3.1622 3.1622 3.4495 3.4495 3.6114 3.6114 4.0068 4.0068 4.1292 4.1292 4.1553 4.1553 4.2570 4.2570 4.4919 4.4919 4.7214 4.7214 4.7528 4.7528 4.8341 4.8341 4.8659 4.8659 4.9755 4.9755 5.0145 5.0145 5.1651 5.1651 5.2841 5.2841 5.6869 5.6869 5.8061 5.8061 6.0091 6.0091 6.0252 6.0252 6.3346 6.3346 6.3887 6.3887 6.6372 6.6372 6.7134 6.7134 6.7199 6.7199 6.8202 6.8202 7.1599 7.1599 7.4187 7.4187 7.4763 7.4763 7.8421 7.8421 8.0653 8.0653 8.1712 8.1712 8.5636 8.5636 8.7837 8.7837 9.0211 9.0211 9.2124 9.2124 k = 0.2738 0.4743-0.0000 ( 14132 PWs) bands (ev): -33.9706 -33.9706 -33.9668 -33.9668 -15.2437 -15.2437 -15.2300 -15.2300 -14.8747 -14.8747 -14.8680 -14.8680 -14.8660 -14.8660 -14.8208 -14.8208 -2.1303 -2.1303 -1.6892 -1.6892 -0.5492 -0.5492 -0.2100 -0.2100 0.2181 0.2181 0.5995 0.5995 1.0264 1.0264 1.1602 1.1602 1.6510 1.6510 1.8519 1.8519 2.2383 2.2383 2.7870 2.7870 3.1092 3.1092 3.4273 3.4273 3.5036 3.5036 4.0249 4.0249 4.1325 4.1325 4.1954 4.1954 4.2425 4.2425 4.4457 4.4457 4.7085 4.7085 4.7543 4.7543 4.8286 4.8286 4.8553 4.8553 5.0089 5.0089 5.0458 5.0458 5.1637 5.1637 5.2923 5.2923 5.6545 5.6545 5.8610 5.8610 5.9137 5.9137 5.9629 5.9629 6.2998 6.2998 6.3745 6.3745 6.7110 6.7110 6.7265 6.7265 6.7731 6.7731 6.7825 6.7825 7.2522 7.2522 7.4264 7.4264 7.5046 7.5046 7.9429 7.9429 8.1435 8.1435 8.2225 8.2225 8.5290 8.5290 8.8099 8.8099 9.0455 9.0455 9.2335 9.2335 k = 0.2619 0.4536-0.0000 ( 14112 PWs) bands (ev): -33.9706 -33.9706 -33.9668 -33.9668 -15.2436 -15.2436 -15.2300 -15.2300 -14.8747 -14.8747 -14.8680 -14.8680 -14.8659 -14.8659 -14.8208 -14.8208 -2.1749 -2.1749 -1.6356 -1.6356 -0.5226 -0.5226 -0.2521 -0.2521 0.2705 0.2705 0.5570 0.5570 1.0780 1.0780 1.1833 1.1833 1.5910 1.5910 1.8022 1.8022 2.2576 2.2576 2.9248 2.9248 3.0577 3.0577 3.3860 3.3860 3.3987 3.3987 4.0382 4.0382 4.1152 4.1152 4.2145 4.2145 4.2622 4.2622 4.4016 4.4016 4.6936 4.6936 4.7531 4.7531 4.8254 4.8254 4.8469 4.8469 5.0361 5.0361 5.0784 5.0784 5.1593 5.1593 5.3033 5.3033 5.5998 5.5998 5.8158 5.8158 5.9104 5.9104 5.9450 5.9450 6.2646 6.2646 6.3543 6.3543 6.6068 6.6068 6.8154 6.8154 6.8445 6.8445 6.8480 6.8480 7.3498 7.3498 7.4494 7.4494 7.5352 7.5352 8.0466 8.0466 8.2295 8.2295 8.2742 8.2742 8.4948 8.4948 8.8351 8.8351 9.0772 9.0772 9.2568 9.2568 k = 0.2500 0.4330-0.0000 ( 14118 PWs) bands (ev): -33.9706 -33.9706 -33.9668 -33.9668 -15.2436 -15.2436 -15.2300 -15.2300 -14.8747 -14.8747 -14.8680 -14.8680 -14.8659 -14.8659 -14.8208 -14.8208 -2.2191 -2.2191 -1.5795 -1.5795 -0.4927 -0.4927 -0.2937 -0.2937 0.3255 0.3255 0.5149 0.5149 1.1320 1.1320 1.2094 1.2094 1.5330 1.5330 1.7543 1.7543 2.2791 2.2791 3.0072 3.0072 3.0628 3.0628 3.2621 3.2621 3.3656 3.3656 4.0456 4.0456 4.0974 4.0974 4.1870 4.1870 4.3175 4.3175 4.3604 4.3604 4.6766 4.6766 4.7488 4.7488 4.8249 4.8249 4.8413 4.8413 5.0552 5.0552 5.1082 5.1082 5.1510 5.1510 5.3174 5.3174 5.5356 5.5356 5.7255 5.7255 5.9102 5.9102 5.9968 5.9968 6.2293 6.2293 6.3326 6.3326 6.5047 6.5047 6.9024 6.9024 6.9159 6.9159 6.9376 6.9376 7.4498 7.4498 7.4868 7.4868 7.5681 7.5681 8.1505 8.1505 8.3178 8.3178 8.3265 8.3265 8.4630 8.4630 8.8576 8.8576 9.1171 9.1171 9.2807 9.2807 k = 0.2381 0.4124-0.0000 ( 14121 PWs) bands (ev): -33.9706 -33.9706 -33.9668 -33.9668 -15.2436 -15.2436 -15.2300 -15.2300 -14.8747 -14.8747 -14.8680 -14.8680 -14.8659 -14.8659 -14.8208 -14.8208 -2.2626 -2.2626 -1.5207 -1.5207 -0.4601 -0.4601 -0.3345 -0.3345 0.3831 0.3831 0.4734 0.4734 1.1882 1.1882 1.2383 1.2383 1.4768 1.4768 1.7087 1.7087 2.3023 2.3023 2.9589 2.9589 3.1333 3.1333 3.1984 3.1984 3.3302 3.3302 4.0462 4.0462 4.0799 4.0799 4.1500 4.1500 4.3228 4.3228 4.3680 4.3680 4.6574 4.6574 4.7421 4.7421 4.8268 4.8268 4.8382 4.8382 5.0587 5.0587 5.1331 5.1331 5.1424 5.1424 5.3338 5.3338 5.4770 5.4770 5.6428 5.6428 5.9071 5.9071 6.0610 6.0610 6.1940 6.1940 6.3151 6.3151 6.4126 6.4126 6.9728 6.9728 7.0062 7.0062 7.0432 7.0432 7.5292 7.5292 7.5575 7.5575 7.6030 7.6030 8.2520 8.2520 8.3733 8.3733 8.3971 8.3971 8.4486 8.4486 8.8738 8.8738 9.1666 9.1666 9.2532 9.2532 k = 0.2262 0.3918-0.0000 ( 14127 PWs) bands (ev): -33.9706 -33.9706 -33.9668 -33.9668 -15.2436 -15.2436 -15.2300 -15.2300 -14.8747 -14.8747 -14.8680 -14.8680 -14.8659 -14.8659 -14.8209 -14.8209 -2.3051 -2.3051 -1.4594 -1.4594 -0.4251 -0.4251 -0.3741 -0.3741 0.4329 0.4329 0.4433 0.4433 1.2465 1.2465 1.2697 1.2697 1.4223 1.4223 1.6660 1.6660 2.3267 2.3267 2.9121 2.9121 3.0019 3.0019 3.2933 3.2933 3.3301 3.3301 4.0386 4.0386 4.0629 4.0629 4.1039 4.1039 4.2900 4.2900 4.4114 4.4114 4.6359 4.6359 4.7342 4.7342 4.8304 4.8304 4.8376 4.8376 5.0358 5.0358 5.1410 5.1410 5.1529 5.1529 5.3495 5.3495 5.4326 5.4326 5.5692 5.5692 5.9020 5.9020 6.1261 6.1261 6.1592 6.1592 6.3081 6.3081 6.3372 6.3372 7.0391 7.0391 7.1092 7.1092 7.1570 7.1570 7.5868 7.5868 7.6395 7.6395 7.6589 7.6589 8.3487 8.3487 8.3930 8.3930 8.4169 8.4169 8.5204 8.5204 8.8769 8.8769 9.1745 9.1745 9.2282 9.2282 k = 0.2143 0.3712-0.0000 ( 14117 PWs) bands (ev): -33.9706 -33.9706 -33.9668 -33.9668 -15.2436 -15.2436 -15.2300 -15.2300 -14.8747 -14.8747 -14.8680 -14.8680 -14.8659 -14.8659 -14.8208 -14.8208 -2.3464 -2.3464 -1.3955 -1.3955 -0.4128 -0.4128 -0.3880 -0.3880 0.3935 0.3935 0.5059 0.5059 1.3032 1.3032 1.3064 1.3064 1.3695 1.3695 1.6267 1.6267 2.3521 2.3521 2.8652 2.8652 2.8708 2.8708 3.2556 3.2556 3.4551 3.4551 4.0225 4.0225 4.0401 4.0401 4.0545 4.0545 4.2626 4.2626 4.4476 4.4476 4.6127 4.6127 4.7260 4.7260 4.8347 4.8347 4.8391 4.8391 4.9908 4.9908 5.1461 5.1461 5.1672 5.1672 5.3598 5.3598 5.4030 5.4030 5.5059 5.5059 5.8893 5.8893 6.1245 6.1245 6.1906 6.1906 6.2861 6.2861 6.3180 6.3180 7.1057 7.1057 7.2208 7.2208 7.2764 7.2764 7.6495 7.6495 7.6782 7.6782 7.7586 7.7586 8.3727 8.3727 8.4388 8.4388 8.4498 8.4498 8.6139 8.6139 8.8600 8.8600 9.1286 9.1286 9.3005 9.3005 k = 0.2024 0.3505-0.0000 ( 14129 PWs) bands (ev): -33.9706 -33.9706 -33.9668 -33.9668 -15.2436 -15.2436 -15.2300 -15.2300 -14.8747 -14.8747 -14.8680 -14.8680 -14.8659 -14.8659 -14.8208 -14.8208 -2.3862 -2.3862 -1.3292 -1.3292 -0.4498 -0.4498 -0.3496 -0.3496 0.3554 0.3554 0.5710 0.5710 1.3181 1.3181 1.3387 1.3387 1.3670 1.3670 1.5921 1.5921 2.3779 2.3779 2.7358 2.7358 2.8238 2.8238 3.2174 3.2174 3.5693 3.5693 3.9783 3.9783 3.9993 3.9993 4.0339 4.0339 4.2413 4.2413 4.4771 4.4771 4.5892 4.5892 4.7184 4.7184 4.8384 4.8384 4.8432 4.8432 4.9365 4.9365 5.1515 5.1515 5.1769 5.1769 5.3597 5.3597 5.3836 5.3836 5.4530 5.4530 5.8670 5.8670 6.0909 6.0909 6.2392 6.2392 6.2779 6.2779 6.3489 6.3489 7.1734 7.1734 7.3397 7.3397 7.4003 7.4003 7.7167 7.7167 7.7185 7.7185 7.8522 7.8522 8.3603 8.3603 8.4584 8.4584 8.5229 8.5229 8.7084 8.7084 8.8310 8.8310 9.1169 9.1169 9.3063 9.3063 k = 0.1905 0.3299-0.0000 ( 14135 PWs) bands (ev): -33.9706 -33.9706 -33.9668 -33.9668 -15.2437 -15.2437 -15.2300 -15.2300 -14.8747 -14.8747 -14.8680 -14.8680 -14.8659 -14.8659 -14.8208 -14.8208 -2.4245 -2.4245 -1.2604 -1.2604 -0.4852 -0.4852 -0.3101 -0.3101 0.3190 0.3190 0.6386 0.6386 1.2680 1.2680 1.3758 1.3758 1.4242 1.4242 1.5661 1.5661 2.4038 2.4038 2.6038 2.6038 2.7821 2.7821 3.1791 3.1791 3.6665 3.6665 3.9040 3.9040 3.9667 3.9667 4.0196 4.0196 4.2263 4.2263 4.5004 4.5004 4.5685 4.5685 4.7116 4.7116 4.8414 4.8414 4.8483 4.8483 4.8829 4.8829 5.1551 5.1551 5.1828 5.1828 5.3472 5.3472 5.3676 5.3676 5.4104 5.4104 5.8402 5.8402 6.0581 6.0581 6.2499 6.2499 6.3328 6.3328 6.4030 6.4030 7.2422 7.2422 7.4643 7.4643 7.5273 7.5273 7.7603 7.7603 7.7870 7.7870 7.9330 7.9330 8.3626 8.3626 8.4342 8.4342 8.5983 8.5983 8.8015 8.8015 8.8126 8.8126 9.1280 9.1280 9.2850 9.2850 k = 0.1786 0.3093-0.0000 ( 14147 PWs) bands (ev): -33.9706 -33.9706 -33.9668 -33.9668 -15.2437 -15.2437 -15.2300 -15.2300 -14.8747 -14.8747 -14.8680 -14.8680 -14.8659 -14.8659 -14.8208 -14.8208 -2.4610 -2.4610 -1.1892 -1.1892 -0.5190 -0.5190 -0.2700 -0.2700 0.2842 0.2842 0.7086 0.7086 1.2189 1.2189 1.4144 1.4144 1.4624 1.4624 1.5646 1.5646 2.4286 2.4286 2.4743 2.4743 2.7422 2.7422 3.1408 3.1408 3.7369 3.7369 3.8226 3.8226 3.9275 3.9275 4.0075 4.0075 4.2179 4.2179 4.5176 4.5176 4.5561 4.5561 4.7058 4.7058 4.8271 4.8271 4.8451 4.8451 4.8607 4.8607 5.1561 5.1561 5.1855 5.1855 5.3245 5.3245 5.3498 5.3498 5.3763 5.3763 5.8179 5.8179 6.0262 6.0262 6.2694 6.2694 6.3981 6.3981 6.4789 6.4789 7.3123 7.3123 7.5932 7.5932 7.6562 7.6562 7.8035 7.8035 7.8592 7.8592 7.9926 7.9926 8.3767 8.3767 8.3880 8.3880 8.6669 8.6669 8.8119 8.8119 8.8929 8.8929 9.1530 9.1530 9.2598 9.2598 k = 0.1667 0.2887-0.0000 ( 14169 PWs) bands (ev): -33.9706 -33.9706 -33.9668 -33.9668 -15.2437 -15.2437 -15.2300 -15.2300 -14.8747 -14.8747 -14.8680 -14.8680 -14.8659 -14.8659 -14.8209 -14.8209 -2.4956 -2.4956 -1.1156 -1.1156 -0.5509 -0.5509 -0.2297 -0.2297 0.2512 0.2512 0.7810 0.7810 1.1703 1.1703 1.4542 1.4542 1.4621 1.4621 1.6072 1.6072 2.3451 2.3451 2.4554 2.4554 2.7040 2.7040 3.1026 3.1026 3.7244 3.7244 3.7829 3.7829 3.8848 3.8848 3.9971 3.9971 4.2147 4.2147 4.5301 4.5301 4.5573 4.5573 4.7008 4.7008 4.7867 4.7867 4.8483 4.8483 4.8673 4.8673 5.1534 5.1534 5.1857 5.1857 5.2950 5.2950 5.3308 5.3308 5.3465 5.3465 5.8077 5.8077 5.9955 5.9955 6.3013 6.3013 6.4649 6.4649 6.5733 6.5733 7.3837 7.3837 7.7245 7.7245 7.7854 7.7854 7.8479 7.8479 7.9325 7.9325 8.0261 8.0261 8.2993 8.2993 8.4409 8.4409 8.7296 8.7296 8.8188 8.8188 8.9808 8.9808 9.1894 9.1894 9.2336 9.2336 k = 0.1548 0.2681-0.0000 ( 14169 PWs) bands (ev): -33.9706 -33.9706 -33.9668 -33.9668 -15.2437 -15.2437 -15.2300 -15.2300 -14.8747 -14.8747 -14.8680 -14.8680 -14.8659 -14.8659 -14.8209 -14.8209 -2.5281 -2.5281 -1.0398 -1.0398 -0.5810 -0.5810 -0.1896 -0.1896 0.2202 0.2202 0.8556 0.8556 1.1219 1.1219 1.4453 1.4453 1.4949 1.4949 1.6718 1.6718 2.2214 2.2214 2.4794 2.4794 2.6673 2.6673 3.0647 3.0647 3.6321 3.6321 3.7749 3.7749 3.8466 3.8466 3.9884 3.9884 4.2108 4.2108 4.5461 4.5461 4.5691 4.5691 4.6957 4.6957 4.7561 4.7561 4.8516 4.8516 4.8757 4.8757 5.1444 5.1444 5.1843 5.1843 5.2638 5.2638 5.3124 5.3124 5.3185 5.3185 5.8136 5.8136 5.9661 5.9661 6.3427 6.3427 6.5323 6.5323 6.6825 6.6825 7.4563 7.4563 7.8542 7.8542 7.8932 7.8932 7.9128 7.9128 8.0059 8.0059 8.0378 8.0378 8.2158 8.2158 8.5166 8.5166 8.7876 8.7876 8.8219 8.8219 9.0635 9.0635 9.2081 9.2081 9.2381 9.2381 k = 0.1429 0.2474-0.0000 ( 14181 PWs) bands (ev): -33.9706 -33.9706 -33.9668 -33.9668 -15.2437 -15.2437 -15.2301 -15.2301 -14.8747 -14.8747 -14.8680 -14.8680 -14.8659 -14.8659 -14.8209 -14.8209 -2.5586 -2.5586 -0.9619 -0.9619 -0.6091 -0.6091 -0.1502 -0.1502 0.1913 0.1913 0.9326 0.9326 1.0730 1.0730 1.4269 1.4269 1.5362 1.5362 1.7436 1.7436 2.1020 2.1020 2.5024 2.5024 2.6320 2.6320 3.0273 3.0273 3.5338 3.5338 3.7309 3.7309 3.8148 3.8148 3.9816 3.9816 4.1997 4.1997 4.5635 4.5635 4.5895 4.5895 4.6892 4.6892 4.7420 4.7420 4.8549 4.8549 4.8847 4.8847 5.1255 5.1255 5.1825 5.1825 5.2364 5.2364 5.2870 5.2870 5.3007 5.3007 5.8364 5.8364 5.9382 5.9382 6.3918 6.3918 6.6001 6.6001 6.8029 6.8029 7.5299 7.5299 7.9393 7.9393 7.9659 7.9659 8.0323 8.0323 8.0383 8.0383 8.0819 8.0819 8.1456 8.1456 8.6057 8.6057 8.8175 8.8175 8.8421 8.8421 9.1218 9.1218 9.1844 9.1844 9.1969 9.1969 k = 0.1310 0.2268-0.0000 ( 14157 PWs) bands (ev): -33.9706 -33.9706 -33.9668 -33.9668 -15.2436 -15.2436 -15.2300 -15.2300 -14.8747 -14.8747 -14.8680 -14.8680 -14.8659 -14.8659 -14.8209 -14.8209 -2.5869 -2.5869 -0.8819 -0.8819 -0.6351 -0.6351 -0.1121 -0.1121 0.1646 0.1646 1.0115 1.0115 1.0230 1.0230 1.4102 1.4102 1.5777 1.5777 1.8192 1.8192 1.9883 1.9883 2.5240 2.5240 2.5978 2.5978 2.9903 2.9903 3.4332 3.4332 3.6696 3.6696 3.7772 3.7772 3.9767 3.9767 4.1803 4.1803 4.5756 4.5756 4.6086 4.6086 4.6848 4.6848 4.7502 4.7502 4.8581 4.8581 4.8941 4.8941 5.0951 5.0951 5.1810 5.1810 5.2168 5.2168 5.2592 5.2592 5.2897 5.2897 5.8747 5.8747 5.9126 5.9126 6.4472 6.4472 6.6681 6.6681 6.9312 6.9312 7.6045 7.6045 7.9800 7.9800 7.9862 7.9862 8.0260 8.0260 8.1396 8.1396 8.1599 8.1599 8.1773 8.1773 8.6998 8.6998 8.8108 8.8108 8.8936 8.8936 9.0430 9.0430 9.1626 9.1626 9.2356 9.2356 k = 0.1190 0.2062-0.0000 ( 14173 PWs) bands (ev): -33.9706 -33.9706 -33.9668 -33.9668 -15.2436 -15.2436 -15.2300 -15.2300 -14.8747 -14.8747 -14.8680 -14.8680 -14.8659 -14.8659 -14.8209 -14.8209 -2.6129 -2.6129 -0.8002 -0.8002 -0.6590 -0.6590 -0.0756 -0.0756 0.1402 0.1402 0.9706 0.9706 1.0928 1.0928 1.3962 1.3962 1.6192 1.6192 1.8812 1.8812 1.8976 1.8976 2.5436 2.5436 2.5646 2.5646 2.9540 2.9540 3.3322 3.3322 3.6013 3.6013 3.7305 3.7305 3.9736 3.9736 4.1554 4.1554 4.5848 4.5848 4.6112 4.6112 4.6860 4.6860 4.7800 4.7800 4.8610 4.8610 4.9040 4.9040 5.0564 5.0564 5.1799 5.1799 5.2042 5.2042 5.2334 5.2334 5.2816 5.2816 5.8855 5.8855 5.9306 5.9306 6.5086 6.5086 6.7362 6.7362 7.0647 7.0647 7.6796 7.6796 7.9122 7.9122 8.0136 8.0136 8.0331 8.0331 8.2112 8.2112 8.2337 8.2337 8.3065 8.3065 8.7878 8.7878 8.8144 8.8144 8.9354 8.9354 8.9428 8.9428 9.1437 9.1437 9.3029 9.3029 k = 0.1071 0.1856-0.0000 ( 14187 PWs) bands (ev): -33.9706 -33.9706 -33.9668 -33.9668 -15.2436 -15.2436 -15.2301 -15.2301 -14.8747 -14.8747 -14.8680 -14.8680 -14.8659 -14.8659 -14.8209 -14.8209 -2.6366 -2.6366 -0.7168 -0.7168 -0.6808 -0.6808 -0.0411 -0.0411 0.1183 0.1183 0.9153 0.9153 1.1759 1.1759 1.3850 1.3850 1.6601 1.6601 1.7826 1.7826 1.9778 1.9778 2.5296 2.5296 2.5632 2.5632 2.9186 2.9186 3.2323 3.2323 3.5300 3.5300 3.6761 3.6761 3.9722 3.9722 4.1284 4.1284 4.5926 4.5926 4.6040 4.6040 4.6886 4.6886 4.8204 4.8204 4.8636 4.8636 4.9143 4.9143 5.0146 5.0146 5.1792 5.1792 5.1957 5.1957 5.2106 5.2106 5.2757 5.2757 5.8633 5.8633 5.9956 5.9956 6.5756 6.5756 6.8041 6.8041 7.2012 7.2012 7.7551 7.7551 7.8348 7.8348 8.0005 8.0005 8.0796 8.0796 8.2738 8.2738 8.2857 8.2857 8.4426 8.4426 8.7920 8.7920 8.8374 8.8374 8.9121 8.9121 8.9880 8.9880 9.1277 9.1277 9.3618 9.3618 k = 0.0952 0.1650-0.0000 ( 14181 PWs) bands (ev): -33.9706 -33.9706 -33.9668 -33.9668 -15.2436 -15.2436 -15.2300 -15.2300 -14.8747 -14.8747 -14.8680 -14.8680 -14.8659 -14.8659 -14.8209 -14.8209 -2.6580 -2.6580 -0.7004 -0.7004 -0.6321 -0.6321 -0.0093 -0.0093 0.0990 0.0990 0.8561 0.8561 1.2608 1.2608 1.3768 1.3768 1.6931 1.6931 1.7001 1.7001 2.0599 2.0599 2.4952 2.4952 2.5794 2.5794 2.8843 2.8843 3.1354 3.1354 3.4575 3.4575 3.6160 3.6160 3.9720 3.9720 4.1018 4.1018 4.5944 4.5944 4.6002 4.6002 4.6908 4.6908 4.8581 4.8581 4.8667 4.8667 4.9255 4.9255 4.9737 4.9737 5.1778 5.1778 5.1896 5.1896 5.1920 5.1920 5.2713 5.2713 5.8425 5.8425 6.0705 6.0705 6.6482 6.6482 6.8715 6.8715 7.3381 7.3381 7.7602 7.7602 7.8306 7.8306 7.9874 7.9874 8.1256 8.1256 8.2929 8.2929 8.3379 8.3379 8.5795 8.5795 8.6888 8.6888 8.8931 8.8931 8.9869 8.9869 9.0288 9.0288 9.1150 9.1150 9.3927 9.3927 k = 0.0833 0.1443-0.0000 ( 14175 PWs) bands (ev): -33.9706 -33.9706 -33.9668 -33.9668 -15.2436 -15.2436 -15.2300 -15.2300 -14.8747 -14.8747 -14.8680 -14.8680 -14.8659 -14.8659 -14.8209 -14.8209 -2.6769 -2.6769 -0.7177 -0.7177 -0.5466 -0.5466 0.0197 0.0197 0.0826 0.0826 0.7922 0.7922 1.3472 1.3472 1.3713 1.3713 1.6143 1.6143 1.7382 1.7382 2.1434 2.1434 2.4584 2.4584 2.5938 2.5938 2.8516 2.8516 3.0436 3.0436 3.3850 3.3850 3.5526 3.5526 3.9726 3.9726 4.0774 4.0774 4.5862 4.5862 4.6067 4.6067 4.6929 4.6929 4.8650 4.8650 4.8899 4.8899 4.9294 4.9294 4.9470 4.9470 5.1687 5.1687 5.1840 5.1840 5.1855 5.1855 5.2682 5.2682 5.8237 5.8237 6.1508 6.1508 6.7264 6.7264 6.9377 6.9377 7.4728 7.4728 7.6914 7.6914 7.9056 7.9056 7.9751 7.9751 8.1703 8.1703 8.2730 8.2730 8.3912 8.3912 8.5796 8.5796 8.7156 8.7156 8.9730 8.9730 9.0518 9.0518 9.0624 9.0624 9.1055 9.1055 9.3632 9.3632 k = 0.0714 0.1237-0.0000 ( 14175 PWs) bands (ev): -33.9706 -33.9706 -33.9668 -33.9668 -15.2436 -15.2436 -15.2300 -15.2300 -14.8747 -14.8747 -14.8680 -14.8680 -14.8659 -14.8659 -14.8209 -14.8209 -2.6933 -2.6933 -0.7328 -0.7328 -0.4611 -0.4611 0.0454 0.0454 0.0696 0.0696 0.7233 0.7233 1.3680 1.3680 1.4351 1.4351 1.5466 1.5466 1.7741 1.7741 2.2279 2.2279 2.4174 2.4174 2.6064 2.6064 2.8210 2.8210 2.9594 2.9594 3.3128 3.3128 3.4886 3.4886 3.9737 3.9737 4.0561 4.0561 4.5791 4.5791 4.6131 4.6131 4.6949 4.6949 4.8604 4.8604 4.8933 4.8933 4.9187 4.9187 4.9622 4.9622 5.1543 5.1543 5.1815 5.1815 5.1849 5.1849 5.2659 5.2659 5.8071 5.8071 6.2323 6.2323 6.8103 6.8103 7.0021 7.0021 7.6024 7.6024 7.6297 7.6297 7.9636 7.9636 7.9804 7.9804 8.2131 8.2131 8.2337 8.2337 8.4370 8.4370 8.4724 8.4724 8.8495 8.8495 9.0613 9.0613 9.0788 9.0788 9.0855 9.0855 9.0988 9.0988 9.3181 9.3181 k = 0.0595 0.1031-0.0000 ( 14151 PWs) bands (ev): -33.9706 -33.9706 -33.9668 -33.9668 -15.2436 -15.2436 -15.2300 -15.2300 -14.8747 -14.8747 -14.8680 -14.8680 -14.8659 -14.8659 -14.8209 -14.8209 -2.7073 -2.7073 -0.7456 -0.7456 -0.3768 -0.3768 0.0604 0.0604 0.0677 0.0677 0.6498 0.6498 1.3667 1.3667 1.4904 1.4904 1.5238 1.5238 1.8069 1.8069 2.3127 2.3127 2.3707 2.3707 2.6169 2.6169 2.7929 2.7929 2.8854 2.8854 3.2407 3.2407 3.4276 3.4276 3.9747 3.9747 4.0386 4.0386 4.5735 4.5735 4.6194 4.6194 4.6972 4.6972 4.8412 4.8412 4.8828 4.8828 4.9277 4.9277 4.9830 4.9830 5.1402 5.1402 5.1790 5.1790 5.1867 5.1867 5.2644 5.2644 5.7928 5.7928 6.3102 6.3102 6.8990 6.8990 7.0634 7.0634 7.5760 7.5760 7.7230 7.7230 7.9540 7.9540 8.0540 8.0540 8.1852 8.1852 8.2532 8.2532 8.3683 8.3683 8.4731 8.4731 8.9804 8.9804 9.0326 9.0326 9.0931 9.0931 9.0966 9.0966 9.1575 9.1575 9.3191 9.3191 k = 0.0476 0.0825-0.0000 ( 14167 PWs) bands (ev): -33.9706 -33.9706 -33.9668 -33.9668 -15.2436 -15.2436 -15.2300 -15.2300 -14.8747 -14.8747 -14.8680 -14.8680 -14.8659 -14.8659 -14.8209 -14.8209 -2.7188 -2.7188 -0.7561 -0.7561 -0.2961 -0.2961 0.0569 0.0569 0.0860 0.0860 0.5728 0.5728 1.3667 1.3667 1.4457 1.4457 1.6126 1.6126 1.8357 1.8357 2.3161 2.3161 2.3973 2.3973 2.6255 2.6255 2.7682 2.7682 2.8243 2.8243 3.1682 3.1682 3.3730 3.3730 3.9750 3.9750 4.0254 4.0254 4.5690 4.5690 4.6254 4.6254 4.6998 4.6998 4.8143 4.8143 4.8806 4.8806 4.9348 4.9348 5.0034 5.0034 5.1266 5.1266 5.1770 5.1770 5.1888 5.1888 5.2635 5.2635 5.7810 5.7810 6.3802 6.3802 6.9908 6.9908 7.1199 7.1199 7.5312 7.5312 7.8296 7.8296 7.9458 7.9458 8.1273 8.1273 8.1349 8.1349 8.2685 8.2685 8.2895 8.2895 8.4970 8.4970 8.9546 8.9546 9.0881 9.0881 9.0950 9.0950 9.1078 9.1078 9.2423 9.2423 9.3494 9.3494 k = 0.0357 0.0619-0.0000 ( 14147 PWs) bands (ev): -33.9706 -33.9706 -33.9668 -33.9668 -15.2436 -15.2436 -15.2300 -15.2300 -14.8746 -14.8746 -14.8680 -14.8680 -14.8659 -14.8659 -14.8209 -14.8209 -2.7277 -2.7277 -0.7643 -0.7643 -0.2231 -0.2231 0.0613 0.0613 0.1005 0.1005 0.4945 0.4945 1.3675 1.3675 1.4118 1.4118 1.7005 1.7005 1.8595 1.8595 2.2544 2.2544 2.4791 2.4791 2.6321 2.6321 2.7477 2.7477 2.7774 2.7774 3.0958 3.0958 3.3281 3.3281 3.9743 3.9743 4.0165 4.0165 4.5658 4.5658 4.6312 4.6312 4.7031 4.7031 4.7888 4.7888 4.8805 4.8805 4.9398 4.9398 5.0222 5.0222 5.1132 5.1132 5.1756 5.1756 5.1909 5.1909 5.2630 5.2630 5.7716 5.7716 6.4385 6.4385 7.0811 7.0811 7.1694 7.1694 7.4957 7.4957 7.9170 7.9170 7.9393 7.9393 8.0873 8.0873 8.1766 8.1766 8.2008 8.2008 8.3198 8.3198 8.5066 8.5066 8.8762 8.8762 9.0807 9.0807 9.0864 9.0864 9.2287 9.2287 9.3140 9.3140 9.3827 9.3827 k = 0.0238 0.0412-0.0000 ( 14135 PWs) bands (ev): -33.9706 -33.9706 -33.9668 -33.9668 -15.2436 -15.2436 -15.2300 -15.2300 -14.8746 -14.8746 -14.8680 -14.8680 -14.8659 -14.8659 -14.8209 -14.8209 -2.7341 -2.7341 -0.7702 -0.7702 -0.1649 -0.1649 0.0771 0.0771 0.1109 0.1109 0.4192 0.4192 1.3685 1.3685 1.3883 1.3883 1.7847 1.7847 1.8775 1.8775 2.1877 2.1877 2.5548 2.5548 2.6368 2.6368 2.7320 2.7320 2.7450 2.7450 3.0267 3.0267 3.2950 3.2950 3.9728 3.9728 4.0114 4.0114 4.5636 4.5636 4.6361 4.6361 4.7074 4.7074 4.7672 4.7672 4.8808 4.8808 4.9431 4.9431 5.0394 5.0394 5.0997 5.0997 5.1747 5.1747 5.1926 5.1926 5.2627 5.2627 5.7649 5.7649 6.4822 6.4822 7.1621 7.1621 7.2088 7.2088 7.4701 7.4701 7.9346 7.9346 7.9807 7.9807 8.0473 8.0473 8.0980 8.0980 8.2719 8.2719 8.3434 8.3434 8.5006 8.5006 8.8127 8.8127 9.0710 9.0710 9.0761 9.0761 9.3388 9.3388 9.3671 9.3671 9.4111 9.4111 k = 0.0119 0.0206-0.0000 ( 14147 PWs) bands (ev): -33.9706 -33.9706 -33.9668 -33.9668 -15.2436 -15.2436 -15.2300 -15.2300 -14.8746 -14.8746 -14.8680 -14.8680 -14.8659 -14.8659 -14.8209 -14.8209 -2.7380 -2.7380 -0.7737 -0.7737 -0.1289 -0.1289 0.1030 0.1030 0.1173 0.1173 0.3561 0.3561 1.3691 1.3691 1.3746 1.3746 1.8574 1.8574 1.8887 1.8887 2.1247 2.1247 2.6150 2.6150 2.6398 2.6398 2.7216 2.7216 2.7269 2.7269 2.9702 2.9702 3.2748 3.2748 3.9713 3.9713 4.0090 4.0090 4.5623 4.5623 4.6395 4.6395 4.7125 4.7125 4.7511 4.7511 4.8810 4.8810 4.9450 4.9450 5.0553 5.0553 5.0860 5.0860 5.1741 5.1741 5.1937 5.1937 5.2626 5.2626 5.7608 5.7608 6.5092 6.5092 7.2212 7.2212 7.2345 7.2345 7.4547 7.4547 7.9317 7.9317 8.0169 8.0169 8.0190 8.0190 8.0454 8.0454 8.3335 8.3335 8.3584 8.3584 8.4812 8.4812 8.7719 8.7719 9.0627 9.0627 9.0678 9.0678 9.3947 9.3947 9.4289 9.4289 9.4328 9.4328 k = 0.0000 0.0000 0.0000 ( 14157 PWs) bands (ev): -33.9706 -33.9706 -33.9668 -33.9668 -15.2436 -15.2436 -15.2300 -15.2300 -14.8746 -14.8746 -14.8680 -14.8680 -14.8659 -14.8659 -14.8209 -14.8209 -2.7392 -2.7392 -0.7749 -0.7749 -0.1173 -0.1173 0.1170 0.1170 0.1213 0.1213 0.3282 0.3282 1.3685 1.3685 1.3709 1.3709 1.8901 1.8901 1.8946 1.8946 2.0931 2.0931 2.6380 2.6380 2.6430 2.6430 2.7173 2.7173 2.7217 2.7217 2.9461 2.9461 3.2680 3.2680 3.9707 3.9707 4.0083 4.0083 4.5618 4.5618 4.6407 4.6407 4.7155 4.7155 4.7443 4.7443 4.8811 4.8811 4.9456 4.9456 5.0673 5.0673 5.0748 5.0748 5.1739 5.1739 5.1940 5.1940 5.2625 5.2625 5.7595 5.7595 6.5184 6.5184 7.2427 7.2427 7.2442 7.2442 7.4495 7.4495 7.9307 7.9307 8.0028 8.0028 8.0290 8.0290 8.0317 8.0317 8.3622 8.3622 8.3647 8.3647 8.4659 8.4659 8.7579 8.7579 9.0595 9.0595 9.0646 9.0646 9.4039 9.4039 9.4406 9.4406 9.4669 9.4669 k = 0.0000 0.0000 0.0000 ( 14157 PWs) bands (ev): -33.9706 -33.9706 -33.9668 -33.9668 -15.2436 -15.2436 -15.2300 -15.2300 -14.8746 -14.8746 -14.8680 -14.8680 -14.8659 -14.8659 -14.8209 -14.8209 -2.7392 -2.7392 -0.7749 -0.7749 -0.1173 -0.1173 0.1170 0.1170 0.1213 0.1213 0.3282 0.3282 1.3685 1.3685 1.3709 1.3709 1.8901 1.8901 1.8946 1.8946 2.0931 2.0931 2.6380 2.6380 2.6430 2.6430 2.7173 2.7173 2.7217 2.7217 2.9461 2.9461 3.2680 3.2680 3.9707 3.9707 4.0083 4.0083 4.5618 4.5618 4.6407 4.6407 4.7155 4.7155 4.7443 4.7443 4.8811 4.8811 4.9456 4.9456 5.0673 5.0673 5.0748 5.0748 5.1739 5.1739 5.1940 5.1940 5.2625 5.2625 5.7595 5.7595 6.5184 6.5184 7.2427 7.2427 7.2442 7.2442 7.4495 7.4495 7.9307 7.9307 8.0028 8.0028 8.0290 8.0290 8.0317 8.0317 8.3622 8.3622 8.3647 8.3647 8.4659 8.4659 8.7579 8.7579 9.0595 9.0595 9.0646 9.0646 9.4039 9.4039 9.4406 9.4406 9.4669 9.4669 k = 0.0000 0.0000 0.0239 ( 14127 PWs) bands (ev): -33.9706 -33.9706 -33.9668 -33.9668 -15.2436 -15.2436 -15.2300 -15.2300 -14.8746 -14.8746 -14.8679 -14.8679 -14.8659 -14.8659 -14.8209 -14.8209 -2.7378 -2.7378 -0.7907 -0.7907 -0.1024 -0.1024 0.1184 0.1184 0.1226 0.1226 0.3331 0.3331 1.3697 1.3697 1.3721 1.3721 1.8778 1.8778 1.8823 1.8823 2.0802 2.0802 2.6518 2.6518 2.6569 2.6569 2.7121 2.7121 2.7165 2.7165 2.9600 2.9600 3.2707 3.2707 3.9755 3.9755 4.0130 4.0130 4.5570 4.5570 4.6408 4.6408 4.7163 4.7163 4.7369 4.7369 4.8858 4.8858 4.9456 4.9456 5.0672 5.0672 5.0764 5.0764 5.1743 5.1743 5.1952 5.1952 5.2632 5.2632 5.7483 5.7483 6.5196 6.5196 7.2420 7.2420 7.2435 7.2435 7.4550 7.4550 7.9481 7.9481 8.0016 8.0016 8.0250 8.0250 8.0275 8.0275 8.3486 8.3486 8.3511 8.3511 8.4476 8.4476 8.7606 8.7606 9.0477 9.0477 9.0528 9.0528 9.3799 9.3799 9.4147 9.4147 9.4763 9.4763 k = 0.0000 0.0000 0.0478 ( 14127 PWs) bands (ev): -33.9706 -33.9706 -33.9668 -33.9668 -15.2435 -15.2435 -15.2301 -15.2301 -14.8746 -14.8746 -14.8677 -14.8677 -14.8659 -14.8659 -14.8211 -14.8211 -2.7334 -2.7334 -0.8339 -0.8339 -0.0625 -0.0625 0.1225 0.1225 0.1267 0.1267 0.3486 0.3486 1.3733 1.3733 1.3756 1.3756 1.8433 1.8433 1.8478 1.8478 2.0440 2.0440 2.6908 2.6908 2.6947 2.6947 2.6968 2.6968 2.7023 2.7023 2.9987 2.9987 3.2789 3.2789 3.9893 3.9893 4.0264 4.0264 4.5423 4.5423 4.6402 4.6402 4.7185 4.7185 4.7186 4.7186 4.8971 4.8971 4.9454 4.9454 5.0670 5.0670 5.0811 5.0811 5.1754 5.1754 5.1988 5.1988 5.2652 5.2652 5.7168 5.7168 6.5234 6.5234 7.2400 7.2400 7.2413 7.2413 7.4715 7.4715 7.9971 7.9971 7.9986 7.9986 8.0055 8.0055 8.0218 8.0218 8.3101 8.3101 8.3128 8.3128 8.3944 8.3944 8.7688 8.7688 9.0136 9.0136 9.0186 9.0186 9.3248 9.3248 9.3561 9.3561 9.5038 9.5038 k = 0.0000 0.0000 0.0717 ( 14097 PWs) bands (ev): -33.9705 -33.9705 -33.9668 -33.9668 -15.2433 -15.2433 -15.2301 -15.2301 -14.8745 -14.8745 -14.8674 -14.8674 -14.8660 -14.8660 -14.8215 -14.8215 -2.7261 -2.7261 -0.8960 -0.8960 -0.0080 -0.0080 0.1292 0.1292 0.1335 0.1335 0.3765 0.3765 1.3792 1.3792 1.3816 1.3816 1.7923 1.7923 1.7968 1.7968 1.9900 1.9900 2.6723 2.6723 2.6760 2.6760 2.7494 2.7494 2.7550 2.7550 3.0551 3.0551 3.2943 3.2943 4.0110 4.0110 4.0474 4.0474 4.5167 4.5167 4.6340 4.6340 4.6990 4.6990 4.7225 4.7225 4.9108 4.9108 4.9453 4.9453 5.0667 5.0667 5.0892 5.0892 5.1772 5.1772 5.2047 5.2047 5.2686 5.2686 5.6697 5.6697 6.5298 6.5298 7.2363 7.2363 7.2375 7.2375 7.4985 7.4985 7.9745 7.9745 7.9851 7.9851 8.0070 8.0070 8.0771 8.0771 8.2539 8.2539 8.2580 8.2580 8.3116 8.3116 8.7835 8.7835 8.9606 8.9606 8.9655 8.9655 9.2598 9.2598 9.2882 9.2882 9.5480 9.5480 k = 0.0000 0.0000 0.0957 ( 14097 PWs) bands (ev): -33.9705 -33.9705 -33.9668 -33.9668 -15.2432 -15.2432 -15.2302 -15.2302 -14.8744 -14.8744 -14.8669 -14.8669 -14.8661 -14.8661 -14.8221 -14.8221 -2.7159 -2.7159 -0.9694 -0.9694 0.0507 0.0507 0.1387 0.1387 0.1429 0.1429 0.4196 0.4196 1.3875 1.3875 1.3898 1.3898 1.7303 1.7303 1.7348 1.7348 1.9240 1.9240 2.6398 2.6398 2.6433 2.6433 2.8216 2.8216 2.8274 2.8274 3.1196 3.1196 3.3205 3.3205 4.0388 4.0388 4.0741 4.0741 4.4790 4.4790 4.6126 4.6126 4.6908 4.6908 4.7280 4.7280 4.9241 4.9241 4.9451 4.9451 5.0663 5.0663 5.1009 5.1009 5.1797 5.1797 5.2135 5.2135 5.2734 5.2734 5.6138 5.6138 6.5386 6.5386 7.2305 7.2305 7.2316 7.2316 7.5351 7.5351 7.9341 7.9341 7.9556 7.9556 7.9711 7.9711 8.1767 8.1767 8.1948 8.1948 8.2011 8.2011 8.2080 8.2080 8.8066 8.8066 8.8933 8.8933 8.8982 8.8982 9.1941 9.1941 9.2200 9.2200 9.5100 9.5101 k = 0.0000 0.0000 0.1196 ( 14127 PWs) bands (ev): -33.9705 -33.9705 -33.9669 -33.9669 -15.2430 -15.2430 -15.2304 -15.2304 -14.8743 -14.8743 -14.8663 -14.8663 -14.8662 -14.8662 -14.8228 -14.8228 -2.7028 -2.7028 -1.0490 -1.0490 0.1061 0.1061 0.1509 0.1509 0.1551 0.1551 0.4802 0.4802 1.3982 1.3982 1.4004 1.4004 1.6618 1.6618 1.6663 1.6663 1.8507 1.8507 2.6008 2.6008 2.6039 2.6039 2.9032 2.9032 2.9093 2.9093 3.1806 3.1806 3.3641 3.3641 4.0707 4.0707 4.1042 4.1042 4.4277 4.4277 4.5762 4.5762 4.6961 4.6961 4.7352 4.7352 4.9359 4.9359 4.9448 4.9448 5.0658 5.0658 5.1167 5.1167 5.1831 5.1831 5.2253 5.2253 5.2799 5.2799 5.5558 5.5558 6.5500 6.5500 7.2221 7.2221 7.2229 7.2229 7.5798 7.5798 7.8861 7.8861 7.8935 7.8935 7.9006 7.9006 8.0827 8.0827 8.1527 8.1527 8.1685 8.1685 8.2883 8.2883 8.8165 8.8165 8.8214 8.8214 8.8413 8.8413 9.1302 9.1302 9.1539 9.1539 9.4326 9.4326 k = 0.0000 0.0000 0.1435 ( 14115 PWs) bands (ev): -33.9704 -33.9704 -33.9670 -33.9670 -15.2427 -15.2427 -15.2306 -15.2306 -14.8741 -14.8741 -14.8664 -14.8664 -14.8656 -14.8656 -14.8236 -14.8236 -2.6868 -2.6868 -1.1317 -1.1317 0.1545 0.1545 0.1660 0.1660 0.1699 0.1699 0.5587 0.5587 1.4111 1.4111 1.4132 1.4132 1.5895 1.5895 1.5942 1.5942 1.7730 1.7730 2.5565 2.5565 2.5593 2.5593 2.9909 2.9909 2.9974 2.9974 3.2292 3.2292 3.4305 3.4305 4.1045 4.1045 4.1355 4.1355 4.3620 4.3620 4.5320 4.5320 4.7091 4.7091 4.7442 4.7442 4.9445 4.9445 4.9458 4.9458 5.0651 5.0651 5.1372 5.1372 5.1874 5.1874 5.2407 5.2407 5.2884 5.2884 5.5018 5.5018 6.5639 6.5639 7.2101 7.2101 7.2107 7.2107 7.6283 7.6283 7.7968 7.7968 7.7975 7.7975 7.8325 7.8325 7.9524 7.9524 8.1348 8.1348 8.1551 8.1551 8.4012 8.4012 8.7348 8.7348 8.7396 8.7396 8.8939 8.8939 9.0682 9.0682 9.0901 9.0901 9.3572 9.3572 k = 0.0000 0.0000 0.1674 ( 14151 PWs) bands (ev): -33.9703 -33.9703 -33.9670 -33.9670 -15.2424 -15.2424 -15.2308 -15.2308 -14.8740 -14.8740 -14.8665 -14.8665 -14.8648 -14.8648 -14.8246 -14.8246 -2.6679 -2.6679 -1.2155 -1.2155 0.1831 0.1831 0.1875 0.1875 0.1973 0.1973 0.6528 0.6528 1.4260 1.4260 1.4277 1.4277 1.5158 1.5158 1.5208 1.5208 1.6932 1.6932 2.5082 2.5082 2.5108 2.5108 3.0825 3.0825 3.0895 3.0895 3.2663 3.2663 3.5157 3.5157 4.1380 4.1380 4.1656 4.1656 4.2819 4.2819 4.4833 4.4833 4.7274 4.7274 4.7547 4.7547 4.9440 4.9440 4.9535 4.9535 5.0643 5.0643 5.1628 5.1628 5.1927 5.1927 5.2603 5.2603 5.2992 5.2992 5.4561 5.4561 6.5803 6.5803 7.1937 7.1937 7.1940 7.1940 7.6561 7.6561 7.6775 7.6775 7.6776 7.6776 7.7749 7.7749 7.8388 7.8388 8.1328 8.1328 8.1551 8.1551 8.5030 8.5030 8.6519 8.6519 8.6568 8.6568 8.9721 8.9721 9.0079 9.0079 9.0281 9.0281 9.2837 9.2837 k = 0.0000 0.0000 0.1913 ( 14157 PWs) bands (ev): -33.9702 -33.9702 -33.9671 -33.9671 -15.2421 -15.2421 -15.2311 -15.2311 -14.8738 -14.8738 -14.8667 -14.8667 -14.8638 -14.8638 -14.8257 -14.8257 -2.6461 -2.6461 -1.2993 -1.2993 0.2034 0.2034 0.2077 0.2077 0.2353 0.2353 0.7590 0.7590 1.4327 1.4327 1.4328 1.4328 1.4520 1.4520 1.4586 1.4586 1.6127 1.6127 2.4570 2.4570 2.4594 2.4594 3.1764 3.1764 3.1840 3.1840 3.2978 3.2978 3.6104 3.6104 4.1694 4.1694 4.1900 4.1900 4.1924 4.1924 4.4318 4.4318 4.7497 4.7497 4.7667 4.7667 4.9434 4.9434 4.9591 4.9591 5.0632 5.0632 5.1941 5.1941 5.1995 5.1995 5.2849 5.2849 5.3130 5.3130 5.4214 5.4214 6.5992 6.5992 7.1715 7.1715 7.1717 7.1717 7.5385 7.5385 7.5461 7.5461 7.5917 7.5917 7.7146 7.7146 7.8270 7.8270 8.1396 8.1396 8.1626 8.1626 8.5688 8.5688 8.5763 8.5763 8.5875 8.5875 8.9489 8.9489 8.9676 8.9676 9.0808 9.0808 9.2121 9.2121 k = 0.0000 0.0000 0.2152 ( 14162 PWs) bands (ev): -33.9702 -33.9702 -33.9672 -33.9672 -15.2417 -15.2417 -15.2313 -15.2313 -14.8736 -14.8736 -14.8669 -14.8669 -14.8628 -14.8628 -14.8269 -14.8269 -2.6214 -2.6214 -1.3822 -1.3822 0.2264 0.2264 0.2307 0.2307 0.2713 0.2713 0.8743 0.8743 1.3645 1.3645 1.3679 1.3679 1.4657 1.4657 1.4690 1.4690 1.5324 1.5324 2.4039 2.4039 2.4061 2.4061 3.2710 3.2710 3.2797 3.2797 3.3280 3.3280 3.7035 3.7035 4.0933 4.0933 4.1973 4.1973 4.2143 4.2143 4.3787 4.3787 4.7750 4.7750 4.7798 4.7798 4.9426 4.9426 4.9628 4.9628 5.0619 5.0619 5.2083 5.2083 5.2309 5.2309 5.3152 5.3152 5.3306 5.3306 5.3986 5.3986 6.6206 6.6206 7.1424 7.1424 7.1425 7.1425 7.3986 7.3986 7.4087 7.4087 7.4514 7.4514 7.6528 7.6528 7.8893 7.8893 8.1518 8.1518 8.1747 8.1747 8.4953 8.4953 8.5012 8.5012 8.6475 8.6475 8.8912 8.8912 8.9083 8.9083 9.1425 9.1425 9.1576 9.1576 k = 0.0000 0.0000 0.2391 ( 14174 PWs) bands (ev): -33.9701 -33.9701 -33.9673 -33.9673 -15.2413 -15.2413 -15.2317 -15.2317 -14.8734 -14.8734 -14.8672 -14.8672 -14.8616 -14.8616 -14.8282 -14.8282 -2.5938 -2.5938 -1.4639 -1.4639 0.2520 0.2520 0.2562 0.2562 0.3070 0.3070 0.9968 0.9968 1.2911 1.2911 1.2948 1.2948 1.4523 1.4523 1.4881 1.4881 1.4906 1.4906 2.3496 2.3496 2.3517 2.3517 3.3538 3.3538 3.3702 3.3702 3.3754 3.3754 3.7662 3.7662 4.0194 4.0194 4.2203 4.2203 4.2291 4.2291 4.3258 4.3258 4.7935 4.7935 4.8017 4.8017 4.9416 4.9416 4.9647 4.9647 5.0602 5.0602 5.2198 5.2198 5.2722 5.2722 5.3520 5.3520 5.3539 5.3539 5.3874 5.3874 6.6445 6.6445 7.1051 7.1051 7.1054 7.1054 7.2555 7.2555 7.2690 7.2690 7.2976 7.2976 7.5902 7.5902 7.9697 7.9697 8.1676 8.1676 8.1900 8.1900 8.4277 8.4277 8.4341 8.4341 8.6951 8.6951 8.8348 8.8348 8.8504 8.8504 9.0750 9.0750 9.0910 9.0910 k = 0.0000 0.0000 0.2630 ( 14174 PWs) bands (ev): -33.9699 -33.9699 -33.9674 -33.9674 -15.2408 -15.2408 -15.2320 -15.2320 -14.8731 -14.8731 -14.8674 -14.8674 -14.8603 -14.8603 -14.8296 -14.8296 -2.5634 -2.5634 -1.5440 -1.5440 0.2803 0.2803 0.2845 0.2845 0.3434 0.3434 1.1247 1.1247 1.2186 1.2186 1.2225 1.2225 1.3742 1.3742 1.5125 1.5125 1.5150 1.5150 2.2947 2.2947 2.2967 2.2967 3.3881 3.3881 3.4608 3.4608 3.4701 3.4701 3.7313 3.7313 4.0361 4.0361 4.2294 4.2294 4.2379 4.2379 4.2808 4.2808 4.8076 4.8076 4.8282 4.8282 4.9404 4.9404 4.9651 4.9651 5.0581 5.0581 5.2350 5.2350 5.3151 5.3151 5.3862 5.3862 5.3871 5.3871 5.3958 5.3958 6.6709 6.6709 7.0590 7.0590 7.0593 7.0593 7.1101 7.1101 7.1295 7.1295 7.1426 7.1426 7.5276 7.5276 8.0582 8.0582 8.1863 8.1863 8.2080 8.2080 8.3699 8.3699 8.3768 8.3768 8.7343 8.7343 8.7800 8.7800 8.7940 8.7940 9.0098 9.0098 9.0266 9.0266 k = 0.0000 0.0000 0.2870 ( 14132 PWs) bands (ev): -33.9698 -33.9698 -33.9676 -33.9676 -15.2403 -15.2403 -15.2323 -15.2323 -14.8728 -14.8728 -14.8677 -14.8677 -14.8589 -14.8589 -14.8311 -14.8311 -2.5300 -2.5300 -1.6221 -1.6221 0.3112 0.3112 0.3154 0.3154 0.3810 0.3810 1.1476 1.1476 1.1515 1.1515 1.2572 1.2572 1.2975 1.2975 1.5394 1.5394 1.5419 1.5419 2.2397 2.2397 2.2416 2.2416 3.4213 3.4213 3.5495 3.5495 3.5628 3.5628 3.6229 3.6229 4.1217 4.1217 4.1946 4.1946 4.2498 4.2498 4.2648 4.2648 4.8215 4.8215 4.8526 4.8526 4.9389 4.9389 4.9644 4.9644 5.0556 5.0556 5.2551 5.2551 5.3558 5.3558 5.3968 5.3968 5.4311 5.4311 5.4464 5.4464 6.6996 6.6996 6.9601 6.9601 6.9917 6.9917 6.9936 6.9936 7.0036 7.0036 7.0048 7.0048 7.4653 7.4653 8.1519 8.1519 8.2073 8.2073 8.2278 8.2278 8.3231 8.3231 8.3308 8.3308 8.7274 8.7274 8.7396 8.7396 8.7684 8.7684 8.9468 8.9468 8.9645 8.9645 k = 0.0000 0.0000 0.3109 ( 14132 PWs) bands (ev): -33.9697 -33.9697 -33.9677 -33.9677 -15.2398 -15.2398 -15.2327 -15.2327 -14.8725 -14.8725 -14.8680 -14.8680 -14.8574 -14.8574 -14.8327 -14.8327 -2.4939 -2.4939 -1.6980 -1.6980 0.3447 0.3447 0.3489 0.3489 0.4205 0.4205 1.0782 1.0782 1.0822 1.0822 1.2226 1.2226 1.3935 1.3935 1.5686 1.5686 1.5710 1.5710 2.1850 2.1850 2.1869 2.1869 3.4526 3.4526 3.4863 3.4863 3.6435 3.6435 3.6524 3.6524 4.1418 4.1418 4.2241 4.2241 4.2556 4.2556 4.2608 4.2608 4.8350 4.8350 4.8727 4.8727 4.9369 4.9369 4.9636 4.9636 5.0526 5.0526 5.2812 5.2812 5.3944 5.3944 5.4160 5.4160 5.4879 5.4879 5.5030 5.5030 6.7308 6.7308 6.8049 6.8049 6.8550 6.8550 6.8596 6.8596 6.9393 6.9393 6.9401 6.9401 7.4038 7.4038 8.2299 8.2299 8.2484 8.2484 8.2497 8.2497 8.2879 8.2879 8.2965 8.2965 8.6776 8.6776 8.6877 8.6877 8.7993 8.7993 8.8862 8.8862 8.9048 8.9048 k = 0.0000 0.0000 0.3348 ( 14126 PWs) bands (ev): -33.9696 -33.9696 -33.9678 -33.9678 -15.2393 -15.2393 -15.2331 -15.2331 -14.8722 -14.8722 -14.8683 -14.8683 -14.8558 -14.8558 -14.8344 -14.8344 -2.4548 -2.4548 -1.7718 -1.7718 0.3809 0.3809 0.3851 0.3851 0.4620 0.4620 1.0108 1.0108 1.0148 1.0148 1.1498 1.1498 1.5331 1.5331 1.6001 1.6001 1.6024 1.6024 2.1310 2.1310 2.1329 2.1329 3.3368 3.3368 3.4957 3.4957 3.7271 3.7271 3.7380 3.7380 4.0861 4.0861 4.2547 4.2547 4.2554 4.2554 4.3283 4.3283 4.8477 4.8477 4.8860 4.8860 4.9345 4.9345 4.9645 4.9645 5.0491 5.0491 5.3150 5.3150 5.4342 5.4342 5.4441 5.4441 5.5520 5.5520 5.5638 5.5638 6.6486 6.6486 6.7249 6.7249 6.7338 6.7338 6.7656 6.7656 6.8672 6.8672 6.8679 6.8679 7.3435 7.3435 8.2529 8.2529 8.2640 8.2640 8.2708 8.2708 8.2744 8.2744 8.3483 8.3483 8.6316 8.6316 8.6391 8.6391 8.8274 8.8274 8.8282 8.8282 8.8477 8.8477 k = 0.0000 0.0000 0.3587 ( 14138 PWs) bands (ev): -33.9694 -33.9694 -33.9680 -33.9680 -15.2388 -15.2388 -15.2336 -15.2336 -14.8719 -14.8719 -14.8686 -14.8686 -14.8542 -14.8542 -14.8361 -14.8361 -2.4130 -2.4130 -1.8431 -1.8431 0.4197 0.4197 0.4239 0.4239 0.5058 0.5058 0.9454 0.9454 0.9494 0.9494 1.0791 1.0791 1.6337 1.6337 1.6360 1.6360 1.6756 1.6756 2.0779 2.0779 2.0798 2.0798 3.1880 3.1880 3.5347 3.5347 3.8065 3.8065 3.8187 3.8187 4.0300 4.0300 4.2440 4.2440 4.2492 4.2492 4.4286 4.4286 4.8597 4.8597 4.8902 4.8902 4.9315 4.9315 4.9688 4.9688 5.0450 5.0450 5.3581 5.3581 5.4775 5.4775 5.4812 5.4812 5.6181 5.6181 5.6256 5.6256 6.4942 6.4942 6.6079 6.6079 6.6180 6.6180 6.7888 6.7888 6.7896 6.7896 6.8010 6.8010 7.2845 7.2845 8.2507 8.2507 8.2591 8.2591 8.2800 8.2800 8.2917 8.2917 8.4477 8.4477 8.5912 8.5912 8.5950 8.5950 8.7729 8.7729 8.7932 8.7932 8.8524 8.8524 k = 0.0000 0.0000 0.3826 ( 14168 PWs) bands (ev): -33.9693 -33.9693 -33.9681 -33.9681 -15.2383 -15.2383 -15.2341 -15.2341 -14.8716 -14.8716 -14.8689 -14.8689 -14.8525 -14.8525 -14.8380 -14.8380 -2.3683 -2.3683 -1.9120 -1.9120 0.4611 0.4611 0.4652 0.4652 0.5519 0.5519 0.8821 0.8821 0.8862 0.8862 1.0107 1.0107 1.6695 1.6695 1.6717 1.6717 1.8207 1.8207 2.0260 2.0260 2.0278 2.0278 3.0360 3.0360 3.5762 3.5762 3.8802 3.8802 3.8935 3.8935 3.9743 3.9743 4.2282 4.2282 4.2370 4.2370 4.5215 4.5215 4.8708 4.8708 4.8846 4.8846 4.9280 4.9280 4.9767 4.9767 5.0404 5.0404 5.4119 5.4119 5.5254 5.5254 5.5269 5.5269 5.6808 5.6808 5.6832 5.6832 6.3434 6.3434 6.5058 6.5058 6.5167 6.5167 6.7064 6.7064 6.7072 6.7072 6.8394 6.8394 7.2271 7.2271 8.2468 8.2468 8.2570 8.2570 8.3016 8.3016 8.3093 8.3093 8.5453 8.5453 8.5576 8.5576 8.5590 8.5590 8.7204 8.7204 8.7417 8.7417 8.8728 8.8728 k = 0.0000 0.0000 0.4065 ( 14132 PWs) bands (ev): -33.9691 -33.9691 -33.9682 -33.9682 -15.2377 -15.2377 -15.2345 -15.2345 -14.8713 -14.8713 -14.8692 -14.8692 -14.8507 -14.8507 -14.8398 -14.8398 -2.3208 -2.3208 -1.9784 -1.9784 0.5050 0.5050 0.5092 0.5092 0.6005 0.6005 0.8211 0.8211 0.8252 0.8252 0.9446 0.9446 1.7074 1.7074 1.7095 1.7095 1.9681 1.9681 1.9754 1.9754 1.9773 1.9773 2.8825 2.8825 3.6198 3.6198 3.9195 3.9195 3.9475 3.9475 3.9618 3.9618 4.2072 4.2072 4.2185 4.2185 4.6045 4.6045 4.8708 4.8708 4.8810 4.8810 4.9237 4.9237 4.9865 4.9865 5.0351 5.0351 5.4772 5.4772 5.5776 5.5776 5.5813 5.5813 5.7284 5.7284 5.7322 5.7322 6.1979 6.1979 6.4267 6.4267 6.4373 6.4373 6.6227 6.6227 6.6237 6.6237 6.8802 6.8802 7.1715 7.1715 8.2509 8.2509 8.2622 8.2622 8.3187 8.3187 8.3200 8.3200 8.5308 8.5308 8.5390 8.5390 8.6383 8.6383 8.6712 8.6712 8.6933 8.6933 8.8866 8.8866 k = 0.0000 0.0000 0.4304 ( 14120 PWs) bands (ev): -33.9690 -33.9690 -33.9684 -33.9684 -15.2371 -15.2371 -15.2350 -15.2350 -14.8710 -14.8710 -14.8696 -14.8696 -14.8489 -14.8489 -14.8416 -14.8416 -2.2706 -2.2706 -2.0421 -2.0421 0.5515 0.5515 0.5557 0.5557 0.6515 0.6515 0.7624 0.7624 0.7665 0.7665 0.8810 0.8810 1.7473 1.7473 1.7494 1.7494 1.9263 1.9263 1.9282 1.9282 2.1174 2.1174 2.7284 2.7284 3.6654 3.6654 3.8657 3.8657 4.0080 4.0080 4.0229 4.0229 4.1803 4.1803 4.1936 4.1936 4.6758 4.6758 4.8495 4.8495 4.8904 4.8904 4.9187 4.9187 4.9964 4.9964 5.0290 5.0290 5.5526 5.5526 5.6327 5.6327 5.6450 5.6450 5.7503 5.7503 5.7621 5.7621 6.0595 6.0595 6.3808 6.3808 6.3895 6.3895 6.5413 6.5413 6.5426 6.5426 6.9233 6.9233 7.1177 7.1177 8.2614 8.2614 8.2736 8.2736 8.3201 8.3201 8.3260 8.3260 8.5198 8.5198 8.5354 8.5354 8.6258 8.6258 8.6486 8.6486 8.7227 8.7227 8.8898 8.8898 k = 0.0000 0.0000 0.4543 ( 14114 PWs) bands (ev): -33.9688 -33.9688 -33.9685 -33.9685 -15.2366 -15.2366 -15.2355 -15.2355 -14.8706 -14.8706 -14.8699 -14.8699 -14.8471 -14.8471 -14.8434 -14.8434 -2.2175 -2.2175 -2.1033 -2.1033 0.6005 0.6005 0.6047 0.6047 0.7051 0.7051 0.7060 0.7060 0.7101 0.7101 0.8199 0.8199 1.7893 1.7893 1.7913 1.7913 1.8789 1.8789 1.8808 1.8808 2.2684 2.2684 2.5743 2.5743 3.7129 3.7129 3.8132 3.8132 4.0614 4.0614 4.0767 4.0767 4.1473 4.1473 4.1618 4.1618 4.7350 4.7350 4.8205 4.8205 4.8988 4.8988 4.9129 4.9129 5.0059 5.0059 5.0222 5.0222 5.6307 5.6307 5.6870 5.6870 5.7213 5.7213 5.7398 5.7398 5.7621 5.7621 5.9309 5.9309 6.3757 6.3757 6.3817 6.3817 6.4672 6.4672 6.4693 6.4693 6.9686 6.9686 7.0659 7.0659 8.2765 8.2765 8.2892 8.2892 8.3099 8.3099 8.3206 8.3206 8.5276 8.5276 8.5483 8.5483 8.5851 8.5851 8.6083 8.6083 8.7936 8.7936 8.8778 8.8778 k = 0.0000 0.0000 0.4783 ( 14120 PWs) bands (ev): -33.9687 -33.9687 -33.9687 -33.9687 -15.2361 -15.2361 -15.2361 -15.2361 -14.8703 -14.8703 -14.8703 -14.8703 -14.8453 -14.8453 -14.8453 -14.8453 -2.1618 -2.1618 -2.1618 -2.1618 0.6520 0.6520 0.6520 0.6520 0.6561 0.6561 0.6561 0.6561 0.7612 0.7612 0.7612 0.7612 1.8331 1.8331 1.8331 1.8331 1.8351 1.8351 1.8351 1.8351 2.4209 2.4209 2.4209 2.4209 3.7622 3.7622 3.7622 3.7622 4.1078 4.1078 4.1078 4.1078 4.1229 4.1229 4.1229 4.1229 4.7828 4.7828 4.7828 4.7828 4.9063 4.9063 4.9063 4.9063 5.0145 5.0145 5.0145 5.0145 5.6974 5.6974 5.6974 5.6974 5.7337 5.7337 5.7337 5.7337 5.8164 5.8164 5.8164 5.8164 6.4083 6.4083 6.4083 6.4083 6.4119 6.4119 6.4119 6.4119 7.0162 7.0162 7.0162 7.0162 8.2938 8.2938 8.2938 8.2938 8.3064 8.3064 8.3064 8.3064 8.5512 8.5512 8.5512 8.5512 8.5740 8.5740 8.5740 8.5740 8.8462 8.8462 8.8462 8.8462 k = 0.0000 0.0000 0.4783 ( 14120 PWs) bands (ev): -33.9687 -33.9687 -33.9687 -33.9687 -15.2361 -15.2361 -15.2361 -15.2361 -14.8703 -14.8703 -14.8703 -14.8703 -14.8453 -14.8453 -14.8453 -14.8453 -2.1618 -2.1618 -2.1618 -2.1618 0.6520 0.6520 0.6520 0.6520 0.6561 0.6561 0.6561 0.6561 0.7612 0.7612 0.7612 0.7612 1.8331 1.8331 1.8331 1.8331 1.8351 1.8351 1.8351 1.8351 2.4209 2.4209 2.4209 2.4209 3.7622 3.7622 3.7622 3.7622 4.1078 4.1078 4.1078 4.1078 4.1229 4.1229 4.1229 4.1229 4.7828 4.7828 4.7828 4.7828 4.9063 4.9063 4.9063 4.9063 5.0145 5.0145 5.0145 5.0145 5.6974 5.6974 5.6974 5.6974 5.7337 5.7337 5.7337 5.7337 5.8164 5.8164 5.8164 5.8164 6.4083 6.4083 6.4083 6.4083 6.4119 6.4119 6.4119 6.4119 7.0162 7.0162 7.0162 7.0162 8.2938 8.2938 8.2938 8.2938 8.3064 8.3064 8.3064 8.3064 8.5512 8.5512 8.5512 8.5512 8.5740 8.5740 8.5740 8.5740 8.8462 8.8462 8.8462 8.8462 k = 0.0208 0.0120 0.4783 ( 14118 PWs) bands (ev): -33.9687 -33.9687 -33.9687 -33.9687 -15.2361 -15.2361 -15.2361 -15.2361 -14.8703 -14.8703 -14.8703 -14.8703 -14.8453 -14.8453 -14.8453 -14.8453 -2.1605 -2.1605 -2.1605 -2.1605 0.5971 0.5971 0.5971 0.5971 0.6519 0.6519 0.6519 0.6519 0.8170 0.8170 0.8170 0.8170 1.8345 1.8345 1.8345 1.8345 1.8392 1.8392 1.8392 1.8392 2.4221 2.4221 2.4221 2.4221 3.7665 3.7665 3.7665 3.7665 4.1065 4.1065 4.1065 4.1065 4.1217 4.1217 4.1217 4.1217 4.7810 4.7810 4.7810 4.7810 4.9061 4.9061 4.9061 4.9061 5.0140 5.0140 5.0140 5.0140 5.6842 5.6842 5.6842 5.6842 5.7280 5.7280 5.7280 5.7280 5.8355 5.8355 5.8355 5.8355 6.4086 6.4086 6.4086 6.4086 6.4126 6.4126 6.4126 6.4126 7.0051 7.0051 7.0051 7.0051 8.2720 8.2720 8.2720 8.2720 8.2946 8.2946 8.2946 8.2946 8.5656 8.5656 8.5656 8.5656 8.5916 8.5916 8.5916 8.5916 8.8522 8.8522 8.8522 8.8522 k = 0.0417 0.0241 0.4783 ( 14110 PWs) bands (ev): -33.9687 -33.9687 -33.9687 -33.9687 -15.2361 -15.2361 -15.2361 -15.2361 -14.8703 -14.8703 -14.8703 -14.8703 -14.8453 -14.8453 -14.8453 -14.8453 -2.1567 -2.1567 -2.1567 -2.1567 0.5067 0.5067 0.5067 0.5067 0.6451 0.6451 0.6451 0.6451 0.9037 0.9037 0.9037 0.9037 1.8366 1.8366 1.8366 1.8366 1.8532 1.8532 1.8532 1.8532 2.4256 2.4256 2.4256 2.4256 3.7793 3.7793 3.7793 3.7793 4.1021 4.1021 4.1021 4.1021 4.1187 4.1187 4.1187 4.1187 4.7757 4.7757 4.7757 4.7757 4.9054 4.9054 4.9054 4.9054 5.0124 5.0124 5.0124 5.0124 5.6529 5.6529 5.6529 5.6529 5.7213 5.7213 5.7213 5.7213 5.8738 5.8738 5.8738 5.8738 6.4090 6.4090 6.4090 6.4090 6.4145 6.4145 6.4145 6.4145 6.9737 6.9737 6.9737 6.9737 8.2088 8.2088 8.2088 8.2088 8.2758 8.2758 8.2758 8.2758 8.5887 8.5887 8.5887 8.5887 8.6470 8.6470 8.6470 8.6470 8.8695 8.8695 8.8695 8.8695 k = 0.0625 0.0361 0.4783 ( 14110 PWs) bands (ev): -33.9687 -33.9687 -33.9687 -33.9687 -15.2361 -15.2361 -15.2361 -15.2361 -14.8703 -14.8703 -14.8703 -14.8703 -14.8453 -14.8453 -14.8453 -14.8453 -2.1503 -2.1503 -2.1503 -2.1503 0.4121 0.4121 0.4121 0.4121 0.6342 0.6342 0.6342 0.6342 0.9910 0.9910 0.9910 0.9910 1.8411 1.8411 1.8411 1.8411 1.8765 1.8765 1.8765 1.8765 2.4315 2.4315 2.4315 2.4315 3.8000 3.8000 3.8000 3.8000 4.0935 4.0935 4.0935 4.0935 4.1149 4.1149 4.1149 4.1149 4.7672 4.7672 4.7672 4.7672 4.9038 4.9038 4.9038 4.9038 5.0100 5.0100 5.0100 5.0100 5.6174 5.6174 5.6174 5.6174 5.7149 5.7149 5.7149 5.7149 5.9146 5.9146 5.9146 5.9146 6.4100 6.4100 6.4100 6.4100 6.4161 6.4161 6.4161 6.4161 6.9282 6.9282 6.9282 6.9282 8.1240 8.1240 8.1240 8.1240 8.2573 8.2573 8.2573 8.2573 8.6059 8.6059 8.6059 8.6059 8.7301 8.7301 8.7301 8.7301 8.8964 8.8964 8.8964 8.8964 k = 0.0833 0.0481 0.4783 ( 14100 PWs) bands (ev): -33.9687 -33.9687 -33.9687 -33.9687 -15.2360 -15.2360 -15.2360 -15.2360 -14.8703 -14.8703 -14.8703 -14.8703 -14.8453 -14.8453 -14.8453 -14.8453 -2.1414 -2.1414 -2.1414 -2.1414 0.3169 0.3169 0.3169 0.3169 0.6198 0.6198 0.6198 0.6198 1.0741 1.0741 1.0741 1.0741 1.8499 1.8499 1.8499 1.8499 1.9083 1.9083 1.9083 1.9083 2.4398 2.4398 2.4398 2.4398 3.8279 3.8279 3.8279 3.8279 4.0804 4.0804 4.0804 4.0804 4.1111 4.1111 4.1111 4.1111 4.7563 4.7563 4.7563 4.7563 4.9011 4.9011 4.9011 4.9011 5.0070 5.0070 5.0070 5.0070 5.5836 5.5836 5.5836 5.5836 5.7073 5.7073 5.7073 5.7073 5.9512 5.9512 5.9512 5.9512 6.4080 6.4080 6.4080 6.4080 6.4181 6.4181 6.4181 6.4181 6.8778 6.8778 6.8778 6.8778 8.0303 8.0303 8.0303 8.0303 8.2418 8.2418 8.2418 8.2418 8.6162 8.6162 8.6162 8.6162 8.8292 8.8292 8.8292 8.8292 8.9307 8.9307 8.9307 8.9307 k = 0.1042 0.0601 0.4783 ( 14116 PWs) bands (ev): -33.9687 -33.9687 -33.9687 -33.9687 -15.2361 -15.2361 -15.2361 -15.2361 -14.8703 -14.8703 -14.8703 -14.8703 -14.8453 -14.8453 -14.8453 -14.8453 -2.1300 -2.1300 -2.1300 -2.1300 0.2220 0.2220 0.2220 0.2220 0.6024 0.6024 0.6024 0.6024 1.1497 1.1497 1.1497 1.1497 1.8656 1.8656 1.8656 1.8656 1.9481 1.9481 1.9481 1.9481 2.4503 2.4503 2.4503 2.4503 3.8617 3.8617 3.8617 3.8617 4.0632 4.0632 4.0632 4.0632 4.1071 4.1071 4.1071 4.1071 4.7436 4.7436 4.7436 4.7436 4.8965 4.8965 4.8965 4.8965 5.0035 5.0035 5.0035 5.0035 5.5532 5.5532 5.5532 5.5532 5.6983 5.6983 5.6983 5.6983 5.9787 5.9787 5.9787 5.9787 6.3918 6.3918 6.3918 6.3918 6.4268 6.4268 6.4268 6.4268 6.8339 6.8339 6.8339 6.8339 7.9352 7.9352 7.9352 7.9352 8.2299 8.2299 8.2299 8.2299 8.6200 8.6200 8.6200 8.6200 8.9376 8.9376 8.9376 8.9376 8.9710 8.9710 8.9710 8.9710 k = 0.1250 0.0722 0.4783 ( 14128 PWs) bands (ev): -33.9687 -33.9687 -33.9687 -33.9687 -15.2361 -15.2361 -15.2361 -15.2361 -14.8703 -14.8703 -14.8703 -14.8703 -14.8453 -14.8453 -14.8453 -14.8453 -2.1161 -2.1161 -2.1161 -2.1161 0.1278 0.1278 0.1278 0.1278 0.5828 0.5828 0.5828 0.5828 1.2149 1.2149 1.2149 1.2149 1.8913 1.8913 1.8913 1.8913 1.9949 1.9949 1.9949 1.9949 2.4631 2.4631 2.4631 2.4631 3.8986 3.8986 3.8986 3.8986 4.0441 4.0441 4.0441 4.0441 4.1028 4.1028 4.1028 4.1028 4.7300 4.7300 4.7300 4.7300 4.8895 4.8895 4.8895 4.8895 5.0001 5.0001 5.0001 5.0001 5.5271 5.5271 5.5271 5.5271 5.6879 5.6879 5.6879 5.6879 5.9936 5.9936 5.9936 5.9936 6.3558 6.3558 6.3558 6.3558 6.4425 6.4425 6.4425 6.4425 6.8074 6.8074 6.8074 6.8074 7.8442 7.8442 7.8442 7.8442 8.2208 8.2208 8.2208 8.2208 8.6176 8.6176 8.6176 8.6176 9.0160 9.0160 9.0160 9.0160 9.0504 9.0504 9.0504 9.0504 k = 0.1458 0.0842 0.4783 ( 14140 PWs) bands (ev): -33.9687 -33.9687 -33.9687 -33.9687 -15.2361 -15.2361 -15.2361 -15.2361 -14.8703 -14.8703 -14.8703 -14.8703 -14.8453 -14.8453 -14.8453 -14.8453 -2.0998 -2.0998 -2.0998 -2.0998 0.0348 0.0348 0.0348 0.0348 0.5616 0.5616 0.5616 0.5616 1.2668 1.2668 1.2668 1.2668 1.9299 1.9299 1.9299 1.9299 2.0483 2.0483 2.0483 2.0483 2.4782 2.4782 2.4782 2.4782 3.9309 3.9309 3.9309 3.9309 4.0296 4.0296 4.0296 4.0296 4.0981 4.0981 4.0981 4.0981 4.7163 4.7163 4.7163 4.7163 4.8792 4.8792 4.8792 4.8792 4.9972 4.9972 4.9972 4.9972 5.5053 5.5053 5.5053 5.5053 5.6760 5.6760 5.6760 5.6760 5.9940 5.9940 5.9940 5.9940 6.2990 6.2990 6.2990 6.2990 6.4641 6.4641 6.4641 6.4641 6.8032 6.8032 6.8032 6.8032 7.7617 7.7617 7.7617 7.7617 8.2140 8.2140 8.2140 8.2140 8.6081 8.6081 8.6081 8.6081 9.0651 9.0651 9.0651 9.0651 9.1627 9.1627 9.1627 9.1627 k = 0.1667 0.0962 0.4783 ( 14132 PWs) bands (ev): -33.9687 -33.9687 -33.9687 -33.9687 -15.2361 -15.2361 -15.2361 -15.2361 -14.8703 -14.8703 -14.8703 -14.8703 -14.8453 -14.8453 -14.8453 -14.8453 -2.0810 -2.0810 -2.0810 -2.0810 -0.0569 -0.0569 -0.0569 -0.0569 0.5394 0.5394 0.5394 0.5394 1.3042 1.3042 1.3042 1.3042 1.9829 1.9829 1.9829 1.9829 2.1076 2.1076 2.1076 2.1076 2.4955 2.4955 2.4955 2.4955 3.9380 3.9380 3.9380 3.9380 4.0382 4.0382 4.0382 4.0382 4.0938 4.0938 4.0938 4.0938 4.7035 4.7035 4.7035 4.7035 4.8651 4.8651 4.8651 4.8651 4.9952 4.9952 4.9952 4.9952 5.4880 5.4880 5.4880 5.4880 5.6624 5.6624 5.6624 5.6624 5.9800 5.9800 5.9800 5.9800 6.2268 6.2268 6.2268 6.2268 6.4889 6.4889 6.4889 6.4889 6.8190 6.8190 6.8190 6.8190 7.6921 7.6921 7.6921 7.6921 8.2090 8.2090 8.2090 8.2090 8.5901 8.5901 8.5901 8.5901 9.1166 9.1166 9.1166 9.1166 9.2709 9.2709 9.2709 9.2709 k = 0.1875 0.1083 0.4783 ( 14124 PWs) bands (ev): -33.9687 -33.9687 -33.9687 -33.9687 -15.2361 -15.2361 -15.2361 -15.2361 -14.8703 -14.8703 -14.8703 -14.8703 -14.8453 -14.8453 -14.8453 -14.8453 -2.0598 -2.0598 -2.0598 -2.0598 -0.1469 -0.1469 -0.1469 -0.1469 0.5168 0.5168 0.5168 0.5168 1.3278 1.3278 1.3278 1.3278 2.0498 2.0498 2.0498 2.0498 2.1721 2.1721 2.1721 2.1721 2.5151 2.5151 2.5151 2.5151 3.9156 3.9156 3.9156 3.9156 4.0664 4.0664 4.0664 4.0664 4.0960 4.0960 4.0960 4.0960 4.6925 4.6925 4.6925 4.6925 4.8463 4.8463 4.8463 4.8463 4.9942 4.9942 4.9942 4.9942 5.4750 5.4750 5.4750 5.4750 5.6467 5.6467 5.6467 5.6467 5.9533 5.9533 5.9533 5.9533 6.1471 6.1471 6.1471 6.1471 6.5127 6.5127 6.5127 6.5127 6.8496 6.8496 6.8496 6.8496 7.6389 7.6389 7.6389 7.6389 8.2052 8.2052 8.2052 8.2052 8.5609 8.5609 8.5609 8.5609 9.1676 9.1676 9.1676 9.1676 9.3707 9.3707 9.3707 9.3707 k = 0.2083 0.1203 0.4783 ( 14140 PWs) bands (ev): -33.9687 -33.9687 -33.9687 -33.9687 -15.2361 -15.2361 -15.2361 -15.2361 -14.8703 -14.8703 -14.8703 -14.8703 -14.8453 -14.8453 -14.8453 -14.8453 -2.0364 -2.0364 -2.0364 -2.0364 -0.2353 -0.2353 -0.2353 -0.2353 0.4941 0.4941 0.4941 0.4941 1.3397 1.3397 1.3397 1.3397 2.1286 2.1286 2.1286 2.1286 2.2414 2.2414 2.2414 2.2414 2.5370 2.5370 2.5370 2.5370 3.8807 3.8807 3.8807 3.8807 4.0717 4.0717 4.0717 4.0717 4.1285 4.1285 4.1285 4.1285 4.6843 4.6843 4.6843 4.6843 4.8222 4.8222 4.8222 4.8222 4.9945 4.9945 4.9945 4.9945 5.4660 5.4660 5.4660 5.4660 5.6282 5.6282 5.6282 5.6282 5.9161 5.9161 5.9161 5.9161 6.0670 6.0670 6.0670 6.0670 6.5314 6.5314 6.5314 6.5314 6.8905 6.8905 6.8905 6.8905 7.6053 7.6053 7.6053 7.6053 8.2025 8.2025 8.2025 8.2025 8.5176 8.5176 8.5176 8.5176 9.2111 9.2111 9.2111 9.2111 9.4566 9.4566 9.4566 9.4566 k = 0.2292 0.1323 0.4783 ( 14134 PWs) bands (ev): -33.9687 -33.9687 -33.9687 -33.9687 -15.2361 -15.2361 -15.2361 -15.2361 -14.8703 -14.8703 -14.8703 -14.8703 -14.8453 -14.8453 -14.8453 -14.8453 -2.0107 -2.0107 -2.0107 -2.0107 -0.3217 -0.3217 -0.3217 -0.3217 0.4719 0.4719 0.4719 0.4719 1.3428 1.3428 1.3428 1.3428 2.2163 2.2163 2.2163 2.2163 2.3150 2.3150 2.3150 2.3150 2.5615 2.5615 2.5615 2.5615 3.8402 3.8402 3.8402 3.8402 4.0653 4.0653 4.0653 4.0653 4.1706 4.1706 4.1706 4.1706 4.6801 4.6801 4.6801 4.6801 4.7926 4.7926 4.7926 4.7926 4.9962 4.9962 4.9962 4.9962 5.4607 5.4607 5.4607 5.4607 5.6062 5.6062 5.6062 5.6062 5.8709 5.8709 5.8709 5.8709 5.9919 5.9919 5.9919 5.9919 6.5421 6.5421 6.5421 6.5421 6.9389 6.9389 6.9389 6.9389 7.5925 7.5925 7.5925 7.5925 8.2006 8.2006 8.2006 8.2006 8.4581 8.4581 8.4581 8.4581 9.2328 9.2328 9.2328 9.2328 9.4363 9.4363 9.4363 9.4363 k = 0.2500 0.1443 0.4783 ( 14150 PWs) bands (ev): -33.9687 -33.9687 -33.9687 -33.9687 -15.2361 -15.2361 -15.2361 -15.2361 -14.8703 -14.8703 -14.8703 -14.8703 -14.8453 -14.8453 -14.8453 -14.8453 -1.9828 -1.9828 -1.9828 -1.9828 -0.4061 -0.4061 -0.4061 -0.4061 0.4503 0.4503 0.4503 0.4503 1.3398 1.3398 1.3398 1.3398 2.3099 2.3099 2.3099 2.3099 2.3925 2.3925 2.3925 2.3925 2.5889 2.5889 2.5889 2.5889 3.7964 3.7964 3.7964 3.7964 4.0563 4.0563 4.0563 4.0563 4.2079 4.2079 4.2079 4.2079 4.6799 4.6799 4.6799 4.6799 4.7582 4.7582 4.7582 4.7582 4.9992 4.9992 4.9992 4.9992 5.4582 5.4582 5.4582 5.4582 5.5799 5.5799 5.5799 5.5799 5.8208 5.8208 5.8208 5.8208 5.9263 5.9263 5.9263 5.9263 6.5439 6.5439 6.5439 6.5439 6.9927 6.9927 6.9927 6.9927 7.5996 7.5996 7.5996 7.5996 8.1994 8.1994 8.1994 8.1994 8.3825 8.3825 8.3825 8.3825 9.2264 9.2264 9.2264 9.2264 9.4548 9.4548 9.4548 9.4548 k = 0.2708 0.1564 0.4783 ( 14164 PWs) bands (ev): -33.9687 -33.9687 -33.9687 -33.9687 -15.2361 -15.2361 -15.2361 -15.2361 -14.8703 -14.8703 -14.8703 -14.8703 -14.8453 -14.8453 -14.8453 -14.8453 -1.9530 -1.9530 -1.9530 -1.9530 -0.4881 -0.4881 -0.4881 -0.4881 0.4298 0.4298 0.4298 0.4298 1.3327 1.3327 1.3327 1.3327 2.4062 2.4062 2.4062 2.4062 2.4736 2.4736 2.4736 2.4736 2.6203 2.6203 2.6203 2.6203 3.7505 3.7505 3.7505 3.7505 4.0456 4.0456 4.0456 4.0456 4.2355 4.2355 4.2355 4.2355 4.6773 4.6773 4.6773 4.6773 4.7260 4.7260 4.7260 4.7260 5.0036 5.0036 5.0036 5.0036 5.4569 5.4569 5.4569 5.4569 5.5492 5.5492 5.5492 5.5492 5.7700 5.7700 5.7700 5.7700 5.8726 5.8726 5.8726 5.8726 6.5377 6.5377 6.5377 6.5377 7.0506 7.0506 7.0506 7.0506 7.6225 7.6225 7.6225 7.6225 8.1989 8.1989 8.1989 8.1989 8.2947 8.2947 8.2947 8.2947 9.2106 9.2106 9.2106 9.2106 9.4982 9.4982 9.4982 9.4982 k = 0.2917 0.1684 0.4783 ( 14164 PWs) bands (ev): -33.9687 -33.9687 -33.9687 -33.9687 -15.2361 -15.2361 -15.2361 -15.2361 -14.8703 -14.8703 -14.8703 -14.8703 -14.8453 -14.8453 -14.8453 -14.8453 -1.9213 -1.9213 -1.9213 -1.9213 -0.5676 -0.5676 -0.5676 -0.5676 0.4104 0.4104 0.4104 0.4104 1.3232 1.3232 1.3232 1.3232 2.5002 2.5002 2.5002 2.5002 2.5579 2.5579 2.5579 2.5579 2.6589 2.6589 2.6589 2.6589 3.7033 3.7033 3.7033 3.7033 4.0327 4.0327 4.0327 4.0327 4.2506 4.2506 4.2506 4.2506 4.6464 4.6464 4.6464 4.6464 4.7223 4.7223 4.7223 4.7223 5.0095 5.0095 5.0095 5.0095 5.4527 5.4527 5.4527 5.4527 5.5154 5.5154 5.5154 5.5154 5.7256 5.7256 5.7256 5.7256 5.8314 5.8314 5.8314 5.8314 6.5255 6.5255 6.5255 6.5255 7.1114 7.1114 7.1114 7.1114 7.6536 7.6536 7.6536 7.6536 8.1968 8.1968 8.1968 8.1968 8.2050 8.2050 8.2050 8.2050 9.1998 9.1998 9.1998 9.1998 9.5229 9.5229 9.5229 9.5229 k = 0.3125 0.1804 0.4783 ( 14146 PWs) bands (ev): -33.9687 -33.9687 -33.9687 -33.9687 -15.2361 -15.2361 -15.2361 -15.2361 -14.8703 -14.8703 -14.8703 -14.8703 -14.8453 -14.8453 -14.8453 -14.8453 -1.8880 -1.8880 -1.8880 -1.8880 -0.6444 -0.6444 -0.6444 -0.6444 0.3925 0.3925 0.3925 0.3925 1.3125 1.3125 1.3125 1.3125 2.5829 2.5829 2.5829 2.5829 2.6450 2.6450 2.6450 2.6450 2.7124 2.7124 2.7124 2.7124 3.6559 3.6559 3.6559 3.6559 4.0169 4.0169 4.0169 4.0169 4.2519 4.2519 4.2519 4.2519 4.5942 4.5942 4.5942 4.5942 4.7390 4.7390 4.7390 4.7390 5.0166 5.0166 5.0166 5.0166 5.4386 5.4386 5.4386 5.4386 5.4811 5.4811 5.4811 5.4811 5.6972 5.6972 5.6972 5.6972 5.8012 5.8012 5.8012 5.8012 6.5095 6.5095 6.5095 6.5095 7.1740 7.1740 7.1740 7.1740 7.6791 7.6791 7.6791 7.6791 8.1202 8.1202 8.1202 8.1202 8.2007 8.2007 8.2007 8.2007 9.1973 9.1973 9.1973 9.1973 9.4383 9.4383 9.4383 9.4383 k = 0.3333 0.1925 0.4783 ( 14142 PWs) bands (ev): -33.9687 -33.9687 -33.9687 -33.9687 -15.2361 -15.2361 -15.2361 -15.2361 -14.8703 -14.8703 -14.8703 -14.8703 -14.8453 -14.8453 -14.8453 -14.8453 -1.8533 -1.8533 -1.8533 -1.8533 -0.7179 -0.7179 -0.7179 -0.7179 0.3761 0.3761 0.3761 0.3761 1.3013 1.3013 1.3013 1.3013 2.6443 2.6443 2.6443 2.6443 2.7345 2.7345 2.7345 2.7345 2.7891 2.7891 2.7891 2.7891 3.6089 3.6089 3.6089 3.6089 3.9972 3.9972 3.9972 3.9972 4.2398 4.2398 4.2398 4.2398 4.5351 4.5351 4.5351 4.5351 4.7609 4.7609 4.7609 4.7609 5.0248 5.0248 5.0248 5.0248 5.4097 5.4097 5.4097 5.4097 5.4485 5.4485 5.4485 5.4485 5.6928 5.6928 5.6928 5.6928 5.7805 5.7805 5.7805 5.7805 6.4915 6.4915 6.4915 6.4915 7.2375 7.2375 7.2375 7.2375 7.6752 7.6752 7.6752 7.6752 8.0725 8.0725 8.0725 8.0725 8.2026 8.2026 8.2026 8.2026 9.2023 9.2023 9.2023 9.2023 9.3432 9.3432 9.3432 9.3432 k = 0.3542 0.2045 0.4783 ( 14150 PWs) bands (ev): -33.9687 -33.9687 -33.9687 -33.9687 -15.2361 -15.2361 -15.2361 -15.2361 -14.8703 -14.8703 -14.8703 -14.8703 -14.8453 -14.8453 -14.8453 -14.8453 -1.8178 -1.8178 -1.8178 -1.8178 -0.7880 -0.7880 -0.7880 -0.7880 0.3614 0.3614 0.3614 0.3614 1.2904 1.2904 1.2904 1.2904 2.6890 2.6890 2.6890 2.6890 2.8262 2.8262 2.8262 2.8262 2.8827 2.8827 2.8827 2.8827 3.5636 3.5636 3.5636 3.5636 3.9718 3.9718 3.9718 3.9718 4.2152 4.2152 4.2152 4.2152 4.4741 4.4741 4.4741 4.4741 4.7829 4.7829 4.7829 4.7829 5.0334 5.0334 5.0334 5.0334 5.3694 5.3694 5.3694 5.3694 5.4184 5.4184 5.4184 5.4184 5.7091 5.7091 5.7091 5.7091 5.7701 5.7701 5.7701 5.7701 6.4728 6.4728 6.4728 6.4728 7.3005 7.3005 7.3005 7.3005 7.6239 7.6239 7.6239 7.6239 8.0774 8.0774 8.0774 8.0774 8.2057 8.2057 8.2057 8.2057 9.2125 9.2125 9.2125 9.2125 9.2476 9.2476 9.2476 9.2476 k = 0.3750 0.2165 0.4783 ( 14146 PWs) bands (ev): -33.9687 -33.9687 -33.9687 -33.9687 -15.2361 -15.2361 -15.2361 -15.2361 -14.8703 -14.8703 -14.8703 -14.8703 -14.8453 -14.8453 -14.8453 -14.8453 -1.7819 -1.7819 -1.7819 -1.7819 -0.8538 -0.8538 -0.8538 -0.8538 0.3484 0.3484 0.3484 0.3484 1.2802 1.2802 1.2802 1.2802 2.7260 2.7260 2.7260 2.7260 2.9198 2.9198 2.9198 2.9198 2.9820 2.9820 2.9820 2.9820 3.5213 3.5213 3.5213 3.5213 3.9386 3.9386 3.9386 3.9386 4.1794 4.1794 4.1794 4.1794 4.4151 4.4151 4.4151 4.4151 4.8025 4.8025 4.8025 4.8025 5.0417 5.0417 5.0417 5.0417 5.3249 5.3249 5.3249 5.3249 5.3923 5.3923 5.3923 5.3923 5.7259 5.7259 5.7259 5.7259 5.7825 5.7825 5.7825 5.7825 6.4541 6.4541 6.4541 6.4541 7.3617 7.3617 7.3617 7.3617 7.5377 7.5377 7.5377 7.5377 8.1227 8.1227 8.1227 8.1227 8.2099 8.2099 8.2099 8.2099 9.1515 9.1515 9.1515 9.1515 9.2309 9.2309 9.2309 9.2309 k = 0.3958 0.2285 0.4783 ( 14138 PWs) bands (ev): -33.9687 -33.9687 -33.9687 -33.9687 -15.2361 -15.2361 -15.2361 -15.2361 -14.8703 -14.8703 -14.8703 -14.8703 -14.8453 -14.8453 -14.8453 -14.8453 -1.7465 -1.7465 -1.7465 -1.7465 -0.9146 -0.9146 -0.9146 -0.9146 0.3374 0.3374 0.3374 0.3374 1.2711 1.2711 1.2711 1.2711 2.7591 2.7591 2.7591 2.7591 3.0146 3.0146 3.0146 3.0146 3.0801 3.0801 3.0801 3.0801 3.4844 3.4844 3.4844 3.4844 3.8954 3.8954 3.8954 3.8954 4.1338 4.1338 4.1338 4.1338 4.3622 4.3622 4.3622 4.3622 4.8187 4.8187 4.8187 4.8187 5.0489 5.0489 5.0489 5.0489 5.2823 5.2823 5.2823 5.2823 5.3708 5.3708 5.3708 5.3708 5.7268 5.7268 5.7268 5.7268 5.8271 5.8271 5.8271 5.8271 6.4358 6.4358 6.4358 6.4358 7.4190 7.4190 7.4190 7.4190 7.4386 7.4386 7.4386 7.4386 8.1867 8.1867 8.1867 8.1867 8.2156 8.2156 8.2156 8.2156 9.0637 9.0637 9.0637 9.0637 9.2500 9.2500 9.2500 9.2500 k = 0.4167 0.2406 0.4783 ( 14134 PWs) bands (ev): -33.9687 -33.9687 -33.9687 -33.9687 -15.2361 -15.2361 -15.2361 -15.2361 -14.8703 -14.8703 -14.8703 -14.8703 -14.8453 -14.8453 -14.8453 -14.8453 -1.7127 -1.7127 -1.7127 -1.7127 -0.9691 -0.9691 -0.9691 -0.9691 0.3282 0.3282 0.3282 0.3282 1.2633 1.2633 1.2633 1.2633 2.7891 2.7891 2.7891 2.7891 3.1101 3.1101 3.1101 3.1101 3.1701 3.1701 3.1701 3.1701 3.4575 3.4575 3.4575 3.4575 3.8408 3.8408 3.8408 3.8408 4.0800 4.0800 4.0800 4.0800 4.3186 4.3186 4.3186 4.3186 4.8312 4.8312 4.8312 4.8312 5.0542 5.0542 5.0542 5.0542 5.2455 5.2455 5.2455 5.2455 5.3538 5.3538 5.3538 5.3538 5.7231 5.7231 5.7231 5.7231 5.8861 5.8861 5.8861 5.8861 6.4177 6.4177 6.4177 6.4177 7.3390 7.3390 7.3390 7.3390 7.4718 7.4718 7.4718 7.4718 8.2214 8.2214 8.2214 8.2214 8.2574 8.2574 8.2574 8.2574 8.9839 8.9839 8.9839 8.9839 9.2713 9.2713 9.2713 9.2713 k = 0.4375 0.2526 0.4783 ( 14132 PWs) bands (ev): -33.9687 -33.9687 -33.9687 -33.9687 -15.2361 -15.2361 -15.2361 -15.2361 -14.8703 -14.8703 -14.8703 -14.8703 -14.8453 -14.8453 -14.8453 -14.8453 -1.6824 -1.6824 -1.6824 -1.6824 -1.0156 -1.0156 -1.0156 -1.0156 0.3211 0.3211 0.3211 0.3211 1.2571 1.2571 1.2571 1.2571 2.8151 2.8151 2.8151 2.8151 3.2047 3.2047 3.2047 3.2047 3.2409 3.2409 3.2409 3.2409 3.4504 3.4504 3.4504 3.4504 3.7754 3.7754 3.7754 3.7754 4.0208 4.0208 4.0208 4.0208 4.2857 4.2857 4.2857 4.2857 4.8404 4.8404 4.8404 4.8404 5.0574 5.0574 5.0574 5.0574 5.2167 5.2167 5.2167 5.2167 5.3411 5.3411 5.3411 5.3411 5.7195 5.7195 5.7195 5.7195 5.9484 5.9484 5.9484 5.9484 6.3997 6.3997 6.3997 6.3997 7.2496 7.2496 7.2496 7.2496 7.5162 7.5162 7.5162 7.5162 8.2291 8.2291 8.2291 8.2291 8.3236 8.3236 8.3236 8.3236 8.9155 8.9155 8.9155 8.9155 9.2927 9.2927 9.2927 9.2927 k = 0.4583 0.2646 0.4783 ( 14126 PWs) bands (ev): -33.9687 -33.9687 -33.9687 -33.9687 -15.2361 -15.2361 -15.2361 -15.2361 -14.8703 -14.8703 -14.8703 -14.8703 -14.8453 -14.8453 -14.8453 -14.8453 -1.6577 -1.6577 -1.6577 -1.6577 -1.0519 -1.0519 -1.0519 -1.0519 0.3159 0.3159 0.3159 0.3159 1.2525 1.2525 1.2525 1.2525 2.8357 2.8357 2.8357 2.8357 3.2737 3.2737 3.2737 3.2737 3.3006 3.3006 3.3006 3.3006 3.4741 3.4741 3.4741 3.4741 3.7022 3.7022 3.7022 3.7022 3.9614 3.9614 3.9614 3.9614 4.2635 4.2635 4.2635 4.2635 4.8466 4.8466 4.8466 4.8466 5.0586 5.0586 5.0586 5.0586 5.1967 5.1967 5.1967 5.1967 5.3322 5.3322 5.3322 5.3322 5.7168 5.7168 5.7168 5.7168 6.0057 6.0057 6.0057 6.0057 6.3823 6.3823 6.3823 6.3823 7.1776 7.1776 7.1776 7.1776 7.5504 7.5504 7.5504 7.5504 8.2364 8.2364 8.2364 8.2364 8.3791 8.3791 8.3791 8.3791 8.8622 8.8622 8.8622 8.8622 9.3114 9.3114 9.3114 9.3114 k = 0.4792 0.2766 0.4783 ( 14140 PWs) bands (ev): -33.9687 -33.9687 -33.9687 -33.9687 -15.2361 -15.2361 -15.2361 -15.2361 -14.8703 -14.8703 -14.8703 -14.8703 -14.8453 -14.8453 -14.8453 -14.8453 -1.6412 -1.6412 -1.6412 -1.6412 -1.0753 -1.0753 -1.0753 -1.0753 0.3129 0.3129 0.3129 0.3129 1.2497 1.2497 1.2497 1.2497 2.8492 2.8492 2.8492 2.8492 3.2838 3.2838 3.2838 3.2838 3.3832 3.3832 3.3832 3.3832 3.5132 3.5132 3.5132 3.5132 3.6291 3.6291 3.6291 3.6291 3.9124 3.9124 3.9124 3.9124 4.2508 4.2508 4.2508 4.2508 4.8502 4.8502 4.8502 4.8502 5.0586 5.0586 5.0586 5.0586 5.1852 5.1852 5.1852 5.1852 5.3271 5.3271 5.3271 5.3271 5.7152 5.7152 5.7152 5.7152 6.0479 6.0479 6.0479 6.0479 6.3680 6.3680 6.3680 6.3680 7.1304 7.1304 7.1304 7.1304 7.5719 7.5719 7.5719 7.5719 8.2420 8.2420 8.2420 8.2420 8.4165 8.4165 8.4165 8.4165 8.8279 8.8279 8.8279 8.8279 9.3244 9.3244 9.3244 9.3244 k = 0.5000 0.2887 0.4783 ( 14140 PWs) bands (ev): -33.9687 -33.9687 -33.9687 -33.9687 -15.2361 -15.2361 -15.2361 -15.2361 -14.8703 -14.8703 -14.8703 -14.8703 -14.8453 -14.8453 -14.8453 -14.8453 -1.6354 -1.6354 -1.6354 -1.6354 -1.0834 -1.0834 -1.0834 -1.0834 0.3118 0.3118 0.3118 0.3118 1.2488 1.2488 1.2488 1.2488 2.8539 2.8539 2.8539 2.8539 3.2845 3.2845 3.2845 3.2845 3.4277 3.4277 3.4277 3.4277 3.5322 3.5322 3.5322 3.5322 3.5882 3.5882 3.5882 3.5882 3.8920 3.8920 3.8920 3.8920 4.2467 4.2467 4.2467 4.2467 4.8513 4.8513 4.8513 4.8513 5.0585 5.0585 5.0585 5.0585 5.1815 5.1815 5.1815 5.1815 5.3254 5.3254 5.3254 5.3254 5.7147 5.7147 5.7147 5.7147 6.0640 6.0640 6.0640 6.0640 6.3622 6.3622 6.3622 6.3622 7.1139 7.1139 7.1139 7.1139 7.5793 7.5793 7.5793 7.5793 8.2441 8.2441 8.2441 8.2441 8.4297 8.4297 8.4297 8.4297 8.8160 8.8160 8.8160 8.8160 9.3290 9.3290 9.3290 9.3290 k = 0.5000 0.2887 0.4783 ( 14140 PWs) bands (ev): -33.9687 -33.9687 -33.9687 -33.9687 -15.2361 -15.2361 -15.2361 -15.2361 -14.8703 -14.8703 -14.8703 -14.8703 -14.8453 -14.8453 -14.8453 -14.8453 -1.6354 -1.6354 -1.6354 -1.6354 -1.0834 -1.0834 -1.0834 -1.0834 0.3118 0.3118 0.3118 0.3118 1.2488 1.2488 1.2488 1.2488 2.8539 2.8539 2.8539 2.8539 3.2845 3.2845 3.2845 3.2845 3.4277 3.4277 3.4277 3.4277 3.5322 3.5322 3.5322 3.5322 3.5882 3.5882 3.5882 3.5882 3.8920 3.8920 3.8920 3.8920 4.2467 4.2467 4.2467 4.2467 4.8513 4.8513 4.8513 4.8513 5.0585 5.0585 5.0585 5.0585 5.1815 5.1815 5.1815 5.1815 5.3254 5.3254 5.3254 5.3254 5.7147 5.7147 5.7147 5.7147 6.0640 6.0640 6.0640 6.0640 6.3622 6.3622 6.3622 6.3622 7.1139 7.1139 7.1139 7.1139 7.5793 7.5793 7.5793 7.5793 8.2441 8.2441 8.2441 8.2441 8.4297 8.4297 8.4297 8.4297 8.8160 8.8160 8.8160 8.8160 9.3290 9.3290 9.3290 9.3290 k = 0.4881 0.3093 0.4783 ( 14144 PWs) bands (ev): -33.9687 -33.9687 -33.9687 -33.9687 -15.2361 -15.2361 -15.2361 -15.2361 -14.8703 -14.8703 -14.8703 -14.8703 -14.8453 -14.8453 -14.8453 -14.8453 -1.6341 -1.6341 -1.6341 -1.6341 -1.0842 -1.0842 -1.0841 -1.0841 0.3037 0.3037 0.3043 0.3043 1.2606 1.2606 1.2611 1.2611 2.8548 2.8548 2.8550 2.8550 3.2805 3.2805 3.2827 3.2827 3.4165 3.4165 3.4190 3.4190 3.4835 3.4835 3.4855 3.4855 3.6324 3.6324 3.6376 3.6376 3.8952 3.8952 3.9046 3.9046 4.2485 4.2485 4.2485 4.2485 4.8491 4.8491 4.8538 4.8538 5.0485 5.0485 5.0669 5.0669 5.1786 5.1786 5.1806 5.1806 5.3245 5.3245 5.3381 5.3381 5.7110 5.7110 5.7179 5.7179 6.0649 6.0649 6.0649 6.0649 6.3644 6.3644 6.3655 6.3655 7.1169 7.1169 7.1174 7.1174 7.5571 7.5571 7.5602 7.5602 8.2362 8.2362 8.2385 8.2385 8.4148 8.4148 8.4149 8.4149 8.8330 8.8330 8.8340 8.8340 9.3401 9.3401 9.3409 9.3409 k = 0.4762 0.3299 0.4783 ( 14148 PWs) bands (ev): -33.9687 -33.9687 -33.9687 -33.9687 -15.2361 -15.2361 -15.2361 -15.2361 -14.8703 -14.8703 -14.8703 -14.8703 -14.8453 -14.8453 -14.8453 -14.8453 -1.6303 -1.6303 -1.6302 -1.6302 -1.0865 -1.0865 -1.0863 -1.0863 0.2814 0.2814 0.2825 0.2825 1.2953 1.2953 1.2962 1.2962 2.8575 2.8575 2.8581 2.8581 3.2690 3.2690 3.2738 3.2738 3.3819 3.3819 3.3902 3.3902 3.4199 3.4199 3.4285 3.4285 3.6935 3.6935 3.7013 3.7013 3.9130 3.9130 3.9306 3.9306 4.2543 4.2543 4.2546 4.2546 4.8472 4.8472 4.8564 4.8564 5.0376 5.0376 5.0729 5.0729 5.1726 5.1726 5.1773 5.1773 5.3357 5.3357 5.3605 5.3605 5.7072 5.7072 5.7204 5.7204 6.0675 6.0675 6.0677 6.0677 6.3723 6.3723 6.3742 6.3742 7.1264 7.1264 7.1276 7.1276 7.4965 7.4965 7.5024 7.5024 8.2157 8.2157 8.2203 8.2203 8.3777 8.3777 8.3778 8.3778 8.8777 8.8777 8.8797 8.8797 9.3576 9.3576 9.3583 9.3583 k = 0.4643 0.3505 0.4783 ( 14144 PWs) bands (ev): -33.9687 -33.9687 -33.9687 -33.9687 -15.2361 -15.2361 -15.2361 -15.2361 -14.8703 -14.8703 -14.8703 -14.8703 -14.8453 -14.8453 -14.8453 -14.8453 -1.6238 -1.6238 -1.6237 -1.6237 -1.0904 -1.0904 -1.0902 -1.0902 0.2482 0.2482 0.2497 0.2497 1.3496 1.3496 1.3508 1.3508 2.8622 2.8622 2.8630 2.8630 3.2444 3.2444 3.2506 3.2506 3.3300 3.3300 3.3341 3.3341 3.3794 3.3794 3.3848 3.3848 3.7497 3.7497 3.7599 3.7599 3.9412 3.9412 3.9654 3.9654 4.2648 4.2648 4.2660 4.2660 4.8458 4.8458 4.8590 4.8590 5.0266 5.0266 5.0761 5.0761 5.1658 5.1658 5.1733 5.1733 5.3571 5.3571 5.3898 5.3898 5.7041 5.7041 5.7227 5.7227 6.0717 6.0717 6.0722 6.0722 6.3851 6.3851 6.3877 6.3877 7.1420 7.1420 7.1437 7.1437 7.4047 7.4047 7.4129 7.4129 8.1843 8.1843 8.1914 8.1914 8.3305 8.3305 8.3314 8.3314 8.9374 8.9374 8.9401 8.9401 9.3377 9.3377 9.3379 9.3379 k = 0.4524 0.3712 0.4783 ( 14148 PWs) bands (ev): -33.9687 -33.9687 -33.9687 -33.9687 -15.2361 -15.2361 -15.2361 -15.2361 -14.8703 -14.8703 -14.8703 -14.8703 -14.8453 -14.8453 -14.8453 -14.8453 -1.6148 -1.6148 -1.6146 -1.6146 -1.0962 -1.0962 -1.0959 -1.0959 0.2080 0.2080 0.2098 0.2098 1.4197 1.4197 1.4212 1.4212 2.8684 2.8684 2.8696 2.8696 3.1982 3.1982 3.2022 3.2022 3.2765 3.2765 3.2825 3.2825 3.3501 3.3501 3.3514 3.3514 3.7976 3.7976 3.8102 3.8102 3.9751 3.9751 4.0047 4.0047 4.2813 4.2813 4.2841 4.2841 4.8454 4.8454 4.8617 4.8617 5.0161 5.0161 5.0762 5.0762 5.1605 5.1605 5.1697 5.1697 5.3864 5.3864 5.4242 5.4242 5.7028 5.7028 5.7254 5.7254 6.0770 6.0770 6.0780 6.0780 6.4023 6.4023 6.4051 6.4051 7.1607 7.1607 7.1634 7.1634 7.2927 7.2927 7.3026 7.3026 8.1438 8.1438 8.1535 8.1535 8.2817 8.2817 8.2840 8.2840 9.0032 9.0032 9.0062 9.0062 9.2650 9.2650 9.2659 9.2659 k = 0.4405 0.3918 0.4783 ( 14130 PWs) bands (ev): -33.9687 -33.9687 -33.9687 -33.9687 -15.2361 -15.2361 -15.2361 -15.2361 -14.8703 -14.8703 -14.8703 -14.8703 -14.8453 -14.8453 -14.8453 -14.8453 -1.6032 -1.6032 -1.6030 -1.6030 -1.1040 -1.1040 -1.1036 -1.1036 0.1644 0.1644 0.1665 0.1665 1.5022 1.5022 1.5039 1.5039 2.8757 2.8757 2.8773 2.8773 3.1335 3.1335 3.1356 3.1356 3.2237 3.2237 3.2360 3.2360 3.3256 3.3256 3.3304 3.3304 3.8354 3.8354 3.8507 3.8507 4.0111 4.0111 4.0455 4.0455 4.3045 4.3045 4.3097 4.3097 4.8462 4.8462 4.8646 4.8646 5.0064 5.0064 5.0735 5.0735 5.1580 5.1580 5.1669 5.1669 5.4217 5.4217 5.4621 5.4621 5.7044 5.7044 5.7293 5.7293 6.0831 6.0831 6.0849 6.0849 6.4227 6.4227 6.4253 6.4253 7.1347 7.1347 7.1446 7.1446 7.2155 7.2155 7.2208 7.2208 8.0962 8.0962 8.1084 8.1084 8.2356 8.2356 8.2396 8.2396 9.0620 9.0620 9.0639 9.0639 9.1760 9.1760 9.1788 9.1788 k = 0.4286 0.4124 0.4783 ( 14132 PWs) bands (ev): -33.9687 -33.9687 -33.9687 -33.9687 -15.2361 -15.2361 -15.2361 -15.2361 -14.8703 -14.8703 -14.8703 -14.8703 -14.8453 -14.8453 -14.8453 -14.8453 -1.5893 -1.5893 -1.5891 -1.5891 -1.1140 -1.1140 -1.1136 -1.1136 0.1204 0.1204 0.1226 0.1226 1.5943 1.5943 1.5960 1.5960 2.8827 2.8827 2.8851 2.8851 3.0624 3.0624 3.0645 3.0645 3.1697 3.1697 3.1836 3.1836 3.3082 3.3082 3.3139 3.3139 3.8627 3.8627 3.8808 3.8808 4.0470 4.0470 4.0860 4.0860 4.3338 4.3338 4.3417 4.3417 4.8486 4.8486 4.8679 4.8679 4.9979 4.9979 5.0689 5.0689 5.1583 5.1583 5.1652 5.1652 5.4616 5.4616 5.5023 5.5023 5.7102 5.7102 5.7353 5.7353 6.0900 6.0900 6.0926 6.0926 6.4451 6.4451 6.4472 6.4472 7.0045 7.0045 7.0183 7.0183 7.2382 7.2382 7.2422 7.2422 8.0438 8.0438 8.0584 8.0584 8.1943 8.1943 8.1997 8.1997 9.0273 9.0273 9.0274 9.0274 9.1724 9.1724 9.1776 9.1776 k = 0.4167 0.4330 0.4783 ( 14116 PWs) bands (ev): -33.9687 -33.9687 -33.9687 -33.9687 -15.2361 -15.2361 -15.2361 -15.2361 -14.8703 -14.8703 -14.8703 -14.8703 -14.8453 -14.8453 -14.8453 -14.8453 -1.5730 -1.5730 -1.5727 -1.5727 -1.1265 -1.1265 -1.1260 -1.1260 0.0782 0.0782 0.0806 0.0806 1.6938 1.6938 1.6956 1.6956 2.8843 2.8843 2.8880 2.8880 2.9953 2.9953 2.9986 2.9986 3.1135 3.1135 3.1272 3.1272 3.2936 3.2936 3.2992 3.2992 3.8805 3.8805 3.9010 3.9010 4.0820 4.0820 4.1255 4.1255 4.3669 4.3669 4.3777 4.3777 4.8531 4.8531 4.8716 4.8716 4.9907 4.9907 5.0635 5.0635 5.1610 5.1610 5.1646 5.1646 5.5050 5.5050 5.5435 5.5435 5.7217 5.7217 5.7446 5.7446 6.0973 6.0973 6.1006 6.1006 6.4682 6.4682 6.4694 6.4694 6.8595 6.8595 6.8755 6.8755 7.2751 7.2751 7.2798 7.2798 7.9896 7.9896 8.0060 8.0060 8.1585 8.1585 8.1649 8.1649 8.9217 8.9217 8.9222 8.9222 9.2373 9.2373 9.2423 9.2423 k = 0.4048 0.4536 0.4783 ( 14108 PWs) bands (ev): -33.9687 -33.9687 -33.9687 -33.9687 -15.2361 -15.2361 -15.2361 -15.2361 -14.8703 -14.8703 -14.8703 -14.8703 -14.8453 -14.8453 -14.8453 -14.8453 -1.5546 -1.5546 -1.5543 -1.5543 -1.1415 -1.1415 -1.1410 -1.1410 0.0396 0.0396 0.0422 0.0422 1.7990 1.7990 1.8008 1.8008 2.8618 2.8618 2.8658 2.8658 2.9536 2.9536 2.9577 2.9577 3.0568 3.0568 3.0693 3.0693 3.2793 3.2793 3.2844 3.2844 3.8907 3.8907 3.9132 3.9132 4.1156 4.1156 4.1638 4.1638 4.4002 4.4002 4.4141 4.4141 4.8597 4.8597 4.8759 4.8759 4.9849 4.9849 5.0579 5.0579 5.1653 5.1653 5.1656 5.1656 5.5508 5.5508 5.5844 5.5844 5.7403 5.7403 5.7582 5.7582 6.1048 6.1048 6.1089 6.1089 6.4896 6.4896 6.4898 6.4898 6.7130 6.7130 6.7315 6.7315 7.3158 7.3158 7.3212 7.3212 7.9359 7.9359 7.9539 7.9539 8.1293 8.1293 8.1364 8.1364 8.8107 8.8107 8.8116 8.8116 9.3073 9.3073 9.3121 9.3121 k = 0.3929 0.4743 0.4783 ( 14126 PWs) bands (ev): -33.9687 -33.9687 -33.9687 -33.9687 -15.2361 -15.2361 -15.2361 -15.2361 -14.8703 -14.8703 -14.8703 -14.8703 -14.8453 -14.8453 -14.8453 -14.8453 -1.5343 -1.5343 -1.5340 -1.5340 -1.1591 -1.1591 -1.1585 -1.1585 0.0058 0.0058 0.0084 0.0084 1.9084 1.9084 1.9101 1.9101 2.8051 2.8051 2.8071 2.8071 2.9459 2.9459 2.9502 2.9502 3.0042 3.0042 3.0140 3.0140 3.2644 3.2644 3.2690 3.2690 3.8956 3.8956 3.9195 3.9195 4.1473 4.1473 4.2002 4.2002 4.4304 4.4304 4.4473 4.4473 4.8684 4.8684 4.8807 4.8807 4.9803 4.9803 5.0528 5.0528 5.1671 5.1671 5.1717 5.1717 5.5977 5.5977 5.6237 5.6237 5.7672 5.7672 5.7772 5.7772 6.1123 6.1123 6.1172 6.1172 6.4989 6.4989 6.5003 6.5003 6.5774 6.5774 6.5984 6.5984 7.3569 7.3569 7.3632 7.3632 7.8852 7.8852 7.9044 7.9044 8.1085 8.1085 8.1160 8.1160 8.7020 8.7020 8.7031 8.7031 9.3758 9.3758 9.3804 9.3804 k = 0.3810 0.4949 0.4783 ( 14114 PWs) bands (ev): -33.9687 -33.9687 -33.9687 -33.9687 -15.2361 -15.2361 -15.2361 -15.2361 -14.8703 -14.8703 -14.8703 -14.8703 -14.8453 -14.8453 -14.8453 -14.8453 -1.5127 -1.5127 -1.5124 -1.5124 -1.1788 -1.1788 -1.1782 -1.1782 -0.0224 -0.0224 -0.0197 -0.0197 2.0205 2.0205 2.0220 2.0220 2.7369 2.7369 2.7376 2.7376 2.9226 2.9226 2.9334 2.9334 2.9810 2.9810 2.9825 2.9825 3.2487 3.2487 3.2529 3.2529 3.8973 3.8973 3.9220 3.9220 4.1765 4.1765 4.2341 4.2341 4.4550 4.4550 4.4746 4.4746 4.8784 4.8784 4.8858 4.8858 4.9772 4.9772 5.0485 5.0485 5.1700 5.1700 5.1789 5.1789 5.6443 5.6443 5.6608 5.6608 5.8025 5.8025 5.8029 5.8029 6.1196 6.1196 6.1250 6.1250 6.4107 6.4107 6.4265 6.4265 6.5437 6.5437 6.5492 6.5492 7.3951 7.3951 7.4024 7.4024 7.8396 7.8396 7.8598 7.8598 8.0986 8.0986 8.1062 8.1062 8.5985 8.5985 8.5998 8.5998 9.4407 9.4407 9.4449 9.4449 k = 0.3690 0.5155 0.4783 ( 14110 PWs) bands (ev): -33.9687 -33.9687 -33.9687 -33.9687 -15.2361 -15.2361 -15.2361 -15.2361 -14.8703 -14.8703 -14.8703 -14.8703 -14.8453 -14.8453 -14.8453 -14.8453 -1.4907 -1.4907 -1.4904 -1.4904 -1.1998 -1.1998 -1.1991 -1.1991 -0.0444 -0.0444 -0.0416 -0.0416 2.1334 2.1334 2.1345 2.1345 2.6673 2.6673 2.6676 2.6676 2.8726 2.8726 2.8846 2.8846 2.9886 2.9886 2.9893 2.9893 3.2328 3.2328 3.2365 3.2365 3.8973 3.8973 3.9226 3.9226 4.2024 4.2024 4.2645 4.2645 4.4725 4.4725 4.4940 4.4940 4.8884 4.8884 4.8906 4.8906 4.9752 4.9752 5.0449 5.0449 5.1735 5.1735 5.1867 5.1867 5.6888 5.6888 5.6959 5.6959 5.8357 5.8357 5.8447 5.8447 6.1261 6.1261 6.1320 6.1320 6.2802 6.2802 6.3027 6.3027 6.5549 6.5549 6.5562 6.5562 7.4267 7.4267 7.4351 7.4351 7.8012 7.8012 7.8223 7.8223 8.1023 8.1023 8.1097 8.1097 8.5025 8.5025 8.5039 8.5039 9.4995 9.4995 9.5034 9.5034 k = 0.3571 0.5361 0.4783 ( 14114 PWs) bands (ev): -33.9687 -33.9687 -33.9687 -33.9687 -15.2361 -15.2361 -15.2361 -15.2361 -14.8703 -14.8703 -14.8703 -14.8703 -14.8453 -14.8453 -14.8453 -14.8453 -1.4701 -1.4701 -1.4697 -1.4697 -1.2201 -1.2201 -1.2194 -1.2194 -0.0600 -0.0600 -0.0572 -0.0572 2.2430 2.2430 2.2434 2.2434 2.5999 2.5999 2.6012 2.6012 2.8218 2.8218 2.8336 2.8336 3.0009 3.0009 3.0023 3.0023 3.2179 3.2179 3.2213 3.2213 3.8967 3.8967 3.9223 3.9223 4.2236 4.2236 4.2902 4.2902 4.4830 4.4830 4.5052 4.5052 4.8945 4.8945 4.8970 4.8970 4.9741 4.9741 5.0423 5.0423 5.1770 5.1770 5.1940 5.1940 5.7287 5.7287 5.7292 5.7292 5.8753 5.8753 5.8904 5.8904 6.1312 6.1312 6.1362 6.1362 6.1607 6.1607 6.1874 6.1874 6.5641 6.5641 6.5644 6.5644 7.4492 7.4492 7.4585 7.4585 7.7721 7.7721 7.7938 7.7938 8.1208 8.1208 8.1281 8.1281 8.4167 8.4167 8.4180 8.4180 9.5493 9.5493 9.5529 9.5529 k = 0.3452 0.5567 0.4783 ( 14102 PWs) bands (ev): -33.9687 -33.9687 -33.9687 -33.9687 -15.2361 -15.2361 -15.2361 -15.2361 -14.8703 -14.8703 -14.8703 -14.8703 -14.8453 -14.8453 -14.8453 -14.8453 -1.4540 -1.4540 -1.4536 -1.4536 -1.2362 -1.2362 -1.2356 -1.2356 -0.0692 -0.0692 -0.0664 -0.0664 2.3376 2.3376 2.3389 2.3389 2.5413 2.5413 2.5442 2.5442 2.7789 2.7789 2.7908 2.7908 3.0113 3.0113 3.0130 3.0130 3.2066 3.2066 3.2096 3.2096 3.8962 3.8962 3.9220 3.9220 4.2383 4.2383 4.3086 4.3086 4.4877 4.4877 4.5094 4.5094 4.8970 4.8970 4.9029 4.9029 4.9737 4.9737 5.0407 5.0407 5.1798 5.1798 5.1996 5.1996 5.7561 5.7561 5.7621 5.7621 5.9179 5.9179 5.9332 5.9332 6.0573 6.0573 6.0931 6.0931 6.1368 6.1368 6.1429 6.1429 6.5682 6.5682 6.5695 6.5695 7.4614 7.4614 7.4715 7.4715 7.7540 7.7540 7.7760 7.7760 8.1503 8.1503 8.1578 8.1578 8.3471 8.3471 8.3479 8.3479 9.5853 9.5853 9.5886 9.5886 k = 0.3333 0.5774 0.4783 ( 14112 PWs) bands (ev): -33.9687 -33.9687 -33.9687 -33.9687 -15.2361 -15.2361 -15.2361 -15.2361 -14.8703 -14.8703 -14.8703 -14.8703 -14.8453 -14.8453 -14.8453 -14.8453 -1.4475 -1.4475 -1.4471 -1.4471 -1.2429 -1.2429 -1.2423 -1.2423 -0.0722 -0.0722 -0.0694 -0.0694 2.3806 2.3806 2.3837 2.3837 2.5149 2.5149 2.5193 2.5193 2.7587 2.7587 2.7708 2.7708 3.0155 3.0155 3.0173 3.0173 3.2020 3.2020 3.2050 3.2050 3.8960 3.8960 3.9219 3.9219 4.2439 4.2439 4.3159 4.3159 4.4886 4.4886 4.5098 4.5098 4.8978 4.8978 4.9049 4.9049 4.9736 4.9736 5.0401 5.0401 5.1808 5.1808 5.2017 5.2017 5.7687 5.7687 5.7771 5.7771 5.9437 5.9437 5.9527 5.9527 6.0083 6.0083 6.0542 6.0542 6.1377 6.1377 6.1443 6.1443 6.5691 6.5691 6.5708 6.5708 7.4650 7.4650 7.4753 7.4753 7.7478 7.7478 7.7700 7.7700 8.1696 8.1696 8.1777 8.1777 8.3148 8.3148 8.3149 8.3149 9.5995 9.5995 9.6027 9.6027 k = 0.3333 0.5774 0.4783 ( 14112 PWs) bands (ev): -33.9687 -33.9687 -33.9687 -33.9687 -15.2361 -15.2361 -15.2361 -15.2361 -14.8703 -14.8703 -14.8703 -14.8703 -14.8453 -14.8453 -14.8453 -14.8453 -1.4475 -1.4475 -1.4471 -1.4471 -1.2429 -1.2429 -1.2423 -1.2423 -0.0722 -0.0722 -0.0694 -0.0694 2.3806 2.3806 2.3837 2.3837 2.5149 2.5149 2.5193 2.5193 2.7587 2.7587 2.7708 2.7708 3.0155 3.0155 3.0173 3.0173 3.2020 3.2020 3.2050 3.2050 3.8960 3.8960 3.9219 3.9219 4.2439 4.2439 4.3159 4.3159 4.4886 4.4886 4.5098 4.5098 4.8978 4.8978 4.9049 4.9049 4.9736 4.9736 5.0401 5.0401 5.1808 5.1808 5.2017 5.2017 5.7687 5.7687 5.7771 5.7771 5.9437 5.9437 5.9527 5.9527 6.0083 6.0083 6.0542 6.0542 6.1377 6.1377 6.1443 6.1443 6.5691 6.5691 6.5708 6.5708 7.4650 7.4650 7.4753 7.4753 7.7478 7.7478 7.7700 7.7700 8.1696 8.1696 8.1777 8.1777 8.3148 8.3148 8.3149 8.3149 9.5995 9.5995 9.6027 9.6027 k = 0.3214 0.5567 0.4783 ( 14108 PWs) bands (ev): -33.9687 -33.9687 -33.9687 -33.9687 -15.2361 -15.2361 -15.2361 -15.2361 -14.8703 -14.8703 -14.8703 -14.8703 -14.8453 -14.8453 -14.8453 -14.8453 -1.4548 -1.4548 -1.4545 -1.4545 -1.2353 -1.2353 -1.2346 -1.2346 -0.0694 -0.0694 -0.0665 -0.0665 2.3500 2.3500 2.3520 2.3520 2.5187 2.5187 2.5227 2.5227 2.7882 2.7882 2.7996 2.7996 3.0108 3.0108 3.0125 3.0125 3.2072 3.2072 3.2103 3.2103 3.8961 3.8961 3.9219 3.9219 4.2373 4.2373 4.3070 4.3070 4.4887 4.4887 4.5111 4.5111 4.8970 4.8970 4.9028 4.9028 4.9737 4.9737 5.0407 5.0407 5.1796 5.1796 5.1992 5.1992 5.7532 5.7532 5.7590 5.7590 5.9392 5.9392 5.9500 5.9500 6.0384 6.0384 6.0782 6.0782 6.1365 6.1365 6.1428 6.1428 6.5695 6.5695 6.5707 6.5707 7.4624 7.4624 7.4724 7.4724 7.7539 7.7539 7.7760 7.7760 8.1486 8.1486 8.1560 8.1560 8.3483 8.3483 8.3491 8.3491 9.5823 9.5823 9.5856 9.5856 k = 0.3095 0.5361 0.4783 ( 14120 PWs) bands (ev): -33.9687 -33.9687 -33.9687 -33.9687 -15.2361 -15.2361 -15.2361 -15.2361 -14.8703 -14.8703 -14.8703 -14.8703 -14.8453 -14.8453 -14.8453 -14.8453 -1.4755 -1.4755 -1.4752 -1.4752 -1.2133 -1.2133 -1.2127 -1.2127 -0.0610 -0.0610 -0.0582 -0.0582 2.2948 2.2948 2.2958 2.2958 2.4980 2.4980 2.5025 2.5025 2.8688 2.8688 2.8783 2.8783 2.9983 2.9983 2.9992 2.9992 3.2224 3.2224 3.2259 3.2259 3.8956 3.8956 3.9212 3.9212 4.2159 4.2159 4.2789 4.2789 4.4910 4.4910 4.5170 4.5170 4.8946 4.8946 4.8968 4.8968 4.9741 4.9741 5.0427 5.0427 5.1758 5.1758 5.1915 5.1915 5.7172 5.7172 5.7203 5.7203 5.9519 5.9519 5.9602 5.9602 6.0827 6.0827 6.1156 6.1156 6.1351 6.1351 6.1392 6.1392 6.5733 6.5733 6.5738 6.5738 7.4564 7.4564 7.4654 7.4654 7.7718 7.7718 7.7932 7.7932 8.1114 8.1114 8.1186 8.1186 8.4215 8.4215 8.4227 8.4227 9.5292 9.5292 9.5326 9.5326 k = 0.2976 0.5155 0.4783 ( 14124 PWs) bands (ev): -33.9687 -33.9687 -33.9687 -33.9687 -15.2361 -15.2361 -15.2361 -15.2361 -14.8703 -14.8703 -14.8703 -14.8703 -14.8453 -14.8453 -14.8453 -14.8453 -1.5056 -1.5056 -1.5052 -1.5052 -1.1807 -1.1807 -1.1801 -1.1801 -0.0477 -0.0477 -0.0449 -0.0449 2.2351 2.2351 2.2355 2.2355 2.4591 2.4591 2.4641 2.4641 2.9526 2.9526 2.9537 2.9537 2.9999 2.9999 3.0071 3.0071 3.2456 3.2456 3.2498 3.2498 3.8931 3.8931 3.9180 3.9180 4.1805 4.1805 4.2338 4.2338 4.4967 4.4967 4.5276 4.5276 4.8875 4.8875 4.8908 4.8908 4.9752 4.9752 5.0461 5.0461 5.1697 5.1697 5.1791 5.1791 5.6801 5.6801 5.6847 5.6847 5.9664 5.9664 5.9721 5.9721 6.1199 6.1199 6.1264 6.1264 6.1412 6.1412 6.1594 6.1594 6.5832 6.5832 6.5869 6.5869 7.4490 7.4490 7.4564 7.4564 7.7995 7.7995 7.8197 7.8197 8.0804 8.0804 8.0878 8.0878 8.5112 8.5112 8.5125 8.5125 9.4475 9.4475 9.4509 9.4509 k = 0.2857 0.4949 0.4783 ( 14112 PWs) bands (ev): -33.9687 -33.9687 -33.9687 -33.9687 -15.2361 -15.2361 -15.2361 -15.2361 -14.8703 -14.8703 -14.8703 -14.8703 -14.8453 -14.8453 -14.8453 -14.8453 -1.5411 -1.5411 -1.5408 -1.5408 -1.1407 -1.1407 -1.1401 -1.1401 -0.0299 -0.0299 -0.0271 -0.0271 2.1752 2.1752 2.1752 2.1752 2.4137 2.4137 2.4189 2.4189 2.9395 2.9395 2.9411 2.9411 3.0984 3.0984 3.1083 3.1083 3.2751 3.2751 3.2801 3.2801 3.8854 3.8854 3.9083 3.9083 4.1368 4.1368 4.1786 4.1786 4.5056 4.5056 4.5412 4.5412 4.8757 4.8757 4.8854 4.8854 4.9775 4.9775 5.0514 5.0514 5.1622 5.1622 5.1636 5.1636 5.6512 5.6512 5.6599 5.6599 5.9650 5.9650 5.9683 5.9683 6.1317 6.1317 6.1337 6.1337 6.1695 6.1695 6.1921 6.1921 6.6036 6.6036 6.6116 6.6116 7.4417 7.4417 7.4469 7.4469 7.8335 7.8335 7.8513 7.8513 8.0643 8.0643 8.0711 8.0711 8.6096 8.6096 8.6106 8.6106 9.3496 9.3496 9.3529 9.3529 k = 0.2738 0.4743 0.4783 ( 14116 PWs) bands (ev): -33.9687 -33.9687 -33.9687 -33.9687 -15.2361 -15.2361 -15.2361 -15.2361 -14.8703 -14.8703 -14.8703 -14.8703 -14.8453 -14.8453 -14.8453 -14.8453 -1.5797 -1.5797 -1.5794 -1.5794 -1.0953 -1.0953 -1.0946 -1.0946 -0.0081 -0.0081 -0.0053 -0.0053 2.1160 2.1160 2.1162 2.1162 2.3665 2.3665 2.3717 2.3717 2.9108 2.9108 2.9121 2.9121 3.2080 3.2080 3.2174 3.2174 3.3120 3.3120 3.3174 3.3174 3.8666 3.8666 3.8849 3.8849 4.0962 4.0962 4.1245 4.1245 4.5168 4.5168 4.5560 4.5560 4.8622 4.8622 4.8782 4.8782 4.9815 4.9815 5.0586 5.0586 5.1466 5.1466 5.1542 5.1542 5.6317 5.6317 5.6459 5.6459 5.9412 5.9412 5.9427 5.9427 6.1443 6.1443 6.1462 6.1462 6.2056 6.2056 6.2240 6.2240 6.6342 6.6342 6.6468 6.6468 7.4351 7.4351 7.4379 7.4379 7.8689 7.8689 7.8826 7.8826 8.0689 8.0689 8.0736 8.0736 8.7120 8.7120 8.7126 8.7126 9.2470 9.2470 9.2503 9.2503 k = 0.2619 0.4536 0.4783 ( 14118 PWs) bands (ev): -33.9687 -33.9687 -33.9687 -33.9687 -15.2361 -15.2361 -15.2361 -15.2361 -14.8703 -14.8703 -14.8703 -14.8703 -14.8453 -14.8453 -14.8453 -14.8453 -1.6199 -1.6199 -1.6197 -1.6197 -1.0456 -1.0456 -1.0449 -1.0449 0.0173 0.0173 0.0201 0.0201 2.0583 2.0583 2.0587 2.0587 2.3194 2.3194 2.3246 2.3246 2.8792 2.8792 2.8803 2.8803 3.2968 3.2968 3.3002 3.3002 3.3715 3.3715 3.3723 3.3723 3.8308 3.8308 3.8427 3.8427 4.0710 4.0710 4.0848 4.0848 4.5292 4.5292 4.5710 4.5710 4.8477 4.8477 4.8691 4.8691 4.9872 4.9872 5.0681 5.0681 5.1295 5.1295 5.1469 5.1469 5.6207 5.6207 5.6405 5.6405 5.9004 5.9004 5.9010 5.9010 6.1571 6.1571 6.1585 6.1585 6.2451 6.2451 6.2592 6.2592 6.6716 6.6716 6.6883 6.6883 7.4296 7.4296 7.4303 7.4303 7.9024 7.9024 7.9107 7.9107 8.0959 8.0959 8.0973 8.0973 8.8120 8.8120 8.8122 8.8122 9.1513 9.1513 9.1547 9.1547 k = 0.2500 0.4330 0.4783 ( 14124 PWs) bands (ev): -33.9687 -33.9687 -33.9687 -33.9687 -15.2361 -15.2361 -15.2361 -15.2361 -14.8703 -14.8703 -14.8703 -14.8703 -14.8453 -14.8453 -14.8453 -14.8453 -1.6608 -1.6608 -1.6606 -1.6606 -0.9922 -0.9922 -0.9915 -0.9915 0.0458 0.0458 0.0486 0.0486 2.0021 2.0021 2.0027 2.0027 2.2732 2.2732 2.2784 2.2784 2.8463 2.8463 2.8472 2.8472 3.3397 3.3397 3.3442 3.3442 3.4515 3.4515 3.4559 3.4559 3.7843 3.7843 3.7931 3.7931 4.0639 4.0639 4.0662 4.0662 4.5423 4.5423 4.5857 4.5857 4.8321 4.8321 4.8577 4.8577 4.9944 4.9944 5.0793 5.0793 5.1137 5.1137 5.1418 5.1418 5.6163 5.6163 5.6415 5.6415 5.8506 5.8506 5.8512 5.8512 6.1650 6.1650 6.1664 6.1664 6.2890 6.2890 6.2994 6.2994 6.7114 6.7114 6.7312 6.7312 7.4243 7.4243 7.4253 7.4253 7.9359 7.9359 7.9395 7.9395 8.1373 8.1373 8.1388 8.1388 8.8884 8.8884 8.8895 8.8895 9.0877 9.0877 9.0914 9.0914 k = 0.2381 0.4124 0.4783 ( 14144 PWs) bands (ev): -33.9687 -33.9687 -33.9687 -33.9687 -15.2361 -15.2361 -15.2361 -15.2361 -14.8703 -14.8703 -14.8703 -14.8703 -14.8453 -14.8453 -14.8453 -14.8453 -1.7016 -1.7016 -1.7014 -1.7014 -0.9355 -0.9355 -0.9348 -0.9348 0.0771 0.0771 0.0798 0.0798 1.9477 1.9477 1.9484 1.9484 2.2286 2.2286 2.2337 2.2337 2.8129 2.8129 2.8137 2.8137 3.3522 3.3522 3.3614 3.3614 3.5146 3.5146 3.5192 3.5192 3.7591 3.7591 3.7702 3.7702 4.0652 4.0652 4.0700 4.0700 4.5557 4.5557 4.5998 4.5998 4.8154 4.8154 4.8439 4.8439 5.0019 5.0019 5.0851 5.0851 5.1073 5.1073 5.1405 5.1405 5.6164 5.6164 5.6467 5.6467 5.7981 5.7981 5.7996 5.7996 6.1678 6.1678 6.1694 6.1694 6.3359 6.3359 6.3434 6.3434 6.7495 6.7495 6.7712 6.7712 7.4201 7.4201 7.4219 7.4219 7.9750 7.9750 7.9756 7.9756 8.1831 8.1831 8.1858 8.1858 8.8899 8.8899 8.8909 8.8909 9.1152 9.1152 9.1176 9.1176 k = 0.2262 0.3918 0.4783 ( 14148 PWs) bands (ev): -33.9687 -33.9687 -33.9687 -33.9687 -15.2361 -15.2361 -15.2361 -15.2361 -14.8703 -14.8703 -14.8703 -14.8703 -14.8453 -14.8453 -14.8453 -14.8453 -1.7419 -1.7419 -1.7417 -1.7417 -0.8757 -0.8757 -0.8749 -0.8749 0.1106 0.1106 0.1133 0.1133 1.8949 1.8949 1.8958 1.8958 2.1858 2.1858 2.1908 2.1908 2.7795 2.7795 2.7801 2.7801 3.3261 3.3261 3.3379 3.3379 3.5431 3.5431 3.5470 3.5470 3.7885 3.7885 3.8027 3.8027 4.0770 4.0770 4.0863 4.0863 4.5695 4.5695 4.6133 4.6133 4.7973 4.7973 4.8276 4.8276 5.0080 5.0080 5.0737 5.0737 5.1229 5.1229 5.1457 5.1457 5.6180 5.6180 5.6534 5.6534 5.7487 5.7487 5.7521 5.7521 6.1666 6.1666 6.1684 6.1684 6.3844 6.3844 6.3896 6.3896 6.7828 6.7828 6.8053 6.8053 7.4178 7.4178 7.4195 7.4195 8.0231 8.0231 8.0241 8.0241 8.2213 8.2213 8.2239 8.2239 8.8518 8.8518 8.8528 8.8528 9.2050 9.2050 9.2061 9.2061 k = 0.2143 0.3712 0.4783 ( 14148 PWs) bands (ev): -33.9687 -33.9687 -33.9687 -33.9687 -15.2361 -15.2361 -15.2361 -15.2361 -14.8703 -14.8703 -14.8703 -14.8703 -14.8453 -14.8453 -14.8453 -14.8453 -1.7812 -1.7812 -1.7811 -1.7811 -0.8129 -0.8129 -0.8122 -0.8122 0.1461 0.1461 0.1488 0.1488 1.8438 1.8438 1.8447 1.8447 2.1451 2.1451 2.1500 2.1500 2.7464 2.7464 2.7469 2.7469 3.2555 3.2555 3.2669 3.2669 3.5686 3.5686 3.5712 3.5712 3.8481 3.8481 3.8633 3.8633 4.0996 4.0996 4.1122 4.1122 4.5839 4.5839 4.6262 4.6262 4.7777 4.7777 4.8094 4.8094 5.0112 5.0112 5.0589 5.0589 5.1476 5.1476 5.1599 5.1599 5.6156 5.6156 5.6526 5.6526 5.7139 5.7139 5.7168 5.7168 6.1624 6.1624 6.1644 6.1644 6.4333 6.4333 6.4363 6.4363 6.8091 6.8091 6.8315 6.8315 7.4176 7.4176 7.4185 7.4185 8.0831 8.0831 8.0847 8.0847 8.2390 8.2390 8.2403 8.2403 8.8333 8.8333 8.8352 8.8352 9.3064 9.3064 9.3065 9.3065 k = 0.2024 0.3505 0.4783 ( 14132 PWs) bands (ev): -33.9687 -33.9687 -33.9687 -33.9687 -15.2361 -15.2361 -15.2361 -15.2361 -14.8703 -14.8703 -14.8703 -14.8703 -14.8453 -14.8453 -14.8453 -14.8453 -1.8195 -1.8195 -1.8194 -1.8194 -0.7474 -0.7474 -0.7466 -0.7466 0.1831 0.1831 0.1858 0.1858 1.7941 1.7941 1.7952 1.7952 2.1065 2.1065 2.1114 2.1114 2.7139 2.7139 2.7144 2.7144 3.1574 3.1574 3.1673 3.1673 3.6034 3.6034 3.6045 3.6045 3.9051 3.9051 3.9202 3.9202 4.1316 4.1316 4.1470 4.1470 4.5994 4.5994 4.6380 4.6380 4.7576 4.7576 4.7910 4.7910 5.0111 5.0111 5.0447 5.0447 5.1787 5.1787 5.1844 5.1844 5.6011 5.6011 5.6290 5.6290 5.7036 5.7036 5.7110 5.7110 6.1560 6.1560 6.1581 6.1581 6.4813 6.4813 6.4824 6.4824 6.8274 6.8274 6.8487 6.8487 7.4197 7.4197 7.4201 7.4201 8.1544 8.1544 8.1559 8.1559 8.2296 8.2296 8.2303 8.2303 8.8507 8.8507 8.8536 8.8536 9.4051 9.4051 9.4060 9.4060 k = 0.1905 0.3299 0.4783 ( 14132 PWs) bands (ev): -33.9687 -33.9687 -33.9687 -33.9687 -15.2361 -15.2361 -15.2361 -15.2361 -14.8703 -14.8703 -14.8703 -14.8703 -14.8453 -14.8453 -14.8453 -14.8453 -1.8563 -1.8563 -1.8562 -1.8562 -0.6791 -0.6791 -0.6784 -0.6784 0.2212 0.2212 0.2239 0.2239 1.7458 1.7458 1.7469 1.7469 2.0704 2.0704 2.0752 2.0752 2.6821 2.6821 2.6826 2.6826 3.0466 3.0466 3.0553 3.0553 3.6435 3.6435 3.6436 3.6436 3.9487 3.9487 3.9632 3.9632 4.1682 4.1682 4.1854 4.1854 4.6164 4.6164 4.6474 4.6474 4.7391 4.7391 4.7759 4.7759 5.0084 5.0084 5.0319 5.0319 5.2163 5.2163 5.2192 5.2192 5.5772 5.5772 5.5973 5.5973 5.7112 5.7112 5.7269 5.7269 6.1479 6.1479 6.1500 6.1500 6.5266 6.5266 6.5273 6.5273 6.8369 6.8369 6.8567 6.8567 7.4242 7.4242 7.4260 7.4260 8.1940 8.1940 8.1945 8.1945 8.2389 8.2389 8.2421 8.2421 8.9000 8.9000 8.9033 8.9033 9.4932 9.4932 9.4953 9.4953 k = 0.1786 0.3093 0.4783 ( 14148 PWs) bands (ev): -33.9687 -33.9687 -33.9687 -33.9687 -15.2361 -15.2361 -15.2361 -15.2361 -14.8703 -14.8703 -14.8703 -14.8703 -14.8453 -14.8453 -14.8453 -14.8453 -1.8915 -1.8915 -1.8914 -1.8914 -0.6082 -0.6082 -0.6074 -0.6074 0.2601 0.2601 0.2627 0.2627 1.6985 1.6985 1.6997 1.6997 2.0368 2.0368 2.0415 2.0415 2.6510 2.6510 2.6514 2.6514 2.9308 2.9308 2.9384 2.9384 3.6854 3.6854 3.6864 3.6864 3.9799 3.9799 3.9937 3.9937 4.1999 4.1999 4.2167 4.2167 4.6341 4.6341 4.6523 4.6523 4.7266 4.7266 4.7695 4.7695 5.0047 5.0047 5.0209 5.0209 5.2601 5.2601 5.2630 5.2630 5.5535 5.5535 5.5699 5.5699 5.7314 5.7314 5.7507 5.7507 6.1387 6.1387 6.1408 6.1408 6.5678 6.5678 6.5702 6.5702 6.8371 6.8371 6.8551 6.8551 7.4333 7.4333 7.4364 7.4364 8.1533 8.1533 8.1558 8.1558 8.3256 8.3256 8.3280 8.3280 8.9684 8.9684 8.9716 8.9716 9.4998 9.4998 9.5018 9.5018 k = 0.1667 0.2887 0.4783 ( 14160 PWs) bands (ev): -33.9687 -33.9687 -33.9687 -33.9687 -15.2361 -15.2361 -15.2361 -15.2361 -14.8703 -14.8703 -14.8703 -14.8703 -14.8453 -14.8453 -14.8453 -14.8453 -1.9249 -1.9249 -1.9249 -1.9249 -0.5347 -0.5347 -0.5340 -0.5340 0.2994 0.2994 0.3020 0.3020 1.6519 1.6519 1.6532 1.6532 2.0058 2.0058 2.0104 2.0104 2.6200 2.6200 2.6206 2.6206 2.8146 2.8146 2.8212 2.8212 3.7283 3.7283 3.7301 3.7301 4.0027 4.0027 4.0158 4.0158 4.2176 4.2176 4.2316 4.2316 4.6489 4.6489 4.6527 4.6527 4.7266 4.7266 4.7749 4.7749 5.0007 5.0007 5.0120 5.0120 5.3089 5.3089 5.3135 5.3135 5.5351 5.5351 5.5502 5.5502 5.7608 5.7608 5.7809 5.7809 6.1286 6.1286 6.1306 6.1306 6.6048 6.6048 6.6087 6.6087 6.8277 6.8277 6.8438 6.8438 7.4484 7.4484 7.4525 7.4525 8.1118 8.1118 8.1156 8.1156 8.4167 8.4167 8.4189 8.4189 9.0415 9.0415 9.0438 9.0438 9.4537 9.4537 9.4562 9.4562 k = 0.1548 0.2681 0.4783 ( 14144 PWs) bands (ev): -33.9687 -33.9687 -33.9687 -33.9687 -15.2361 -15.2361 -15.2361 -15.2361 -14.8703 -14.8703 -14.8703 -14.8703 -14.8453 -14.8453 -14.8453 -14.8453 -1.9565 -1.9565 -1.9564 -1.9564 -0.4588 -0.4588 -0.4580 -0.4580 0.3386 0.3386 0.3411 0.3411 1.6057 1.6057 1.6071 1.6071 1.9774 1.9774 1.9819 1.9819 2.5868 2.5868 2.5879 2.5879 2.7027 2.7027 2.7082 2.7082 3.7714 3.7714 3.7737 3.7737 4.0201 4.0201 4.0328 4.0328 4.2167 4.2167 4.2264 4.2264 4.6526 4.6526 4.6578 4.6578 4.7424 4.7424 4.7896 4.7896 4.9973 4.9973 5.0051 5.0051 5.3590 5.3590 5.3667 5.3667 5.5244 5.5244 5.5400 5.5400 5.7994 5.7994 5.8186 5.8186 6.1180 6.1180 6.1199 6.1199 6.6367 6.6367 6.6420 6.6420 6.8087 6.8087 6.8230 6.8230 7.4711 7.4711 7.4758 7.4758 8.0771 8.0771 8.0819 8.0819 8.5073 8.5073 8.5092 8.5092 9.1015 9.1015 9.1023 9.1023 9.4257 9.4257 9.4294 9.4294 k = 0.1429 0.2474 0.4783 ( 14136 PWs) bands (ev): -33.9687 -33.9687 -33.9687 -33.9687 -15.2361 -15.2361 -15.2361 -15.2361 -14.8703 -14.8703 -14.8703 -14.8703 -14.8453 -14.8453 -14.8453 -14.8453 -1.9860 -1.9860 -1.9860 -1.9860 -0.3804 -0.3804 -0.3796 -0.3796 0.3773 0.3773 0.3798 0.3798 1.5592 1.5592 1.5606 1.5606 1.9518 1.9518 1.9562 1.9562 2.5371 2.5371 2.5405 2.5405 2.6114 2.6114 2.6140 2.6140 3.8136 3.8136 3.8164 3.8164 4.0338 4.0338 4.0461 4.0461 4.1982 4.1982 4.2035 4.2035 4.6555 4.6555 4.6642 4.6642 4.7677 4.7677 4.8089 4.8089 4.9947 4.9947 5.0001 5.0001 5.4040 5.4040 5.4153 5.4153 5.5245 5.5245 5.5422 5.5422 5.8489 5.8489 5.8655 5.8655 6.1070 6.1070 6.1087 6.1087 6.6632 6.6632 6.6694 6.6694 6.7804 6.7804 6.7928 6.7928 7.5028 7.5028 7.5076 7.5076 8.0526 8.0526 8.0583 8.0583 8.5926 8.5926 8.5941 8.5941 9.1263 9.1263 9.1271 9.1271 9.4310 9.4310 9.4356 9.4356 k = 0.1310 0.2268 0.4783 ( 14140 PWs) bands (ev): -33.9687 -33.9687 -33.9687 -33.9687 -15.2361 -15.2361 -15.2361 -15.2361 -14.8703 -14.8703 -14.8703 -14.8703 -14.8453 -14.8453 -14.8453 -14.8453 -2.0135 -2.0135 -2.0135 -2.0135 -0.2996 -0.2996 -0.2988 -0.2988 0.4151 0.4151 0.4175 0.4175 1.5117 1.5117 1.5132 1.5132 1.9290 1.9290 1.9332 1.9332 2.4488 2.4488 2.4539 2.4539 2.5643 2.5643 2.5647 2.5647 3.8540 3.8540 3.8572 3.8572 4.0441 4.0441 4.0562 4.0562 4.1672 4.1672 4.1688 4.1688 4.6624 4.6624 4.6718 4.6718 4.7951 4.7951 4.8290 4.8290 4.9930 4.9930 4.9968 4.9968 5.4365 5.4365 5.4498 5.4498 5.5402 5.5402 5.5594 5.5594 5.9102 5.9102 5.9231 5.9231 6.0958 6.0958 6.0974 6.0974 6.6841 6.6841 6.6913 6.6913 6.7436 6.7436 6.7545 6.7545 7.5442 7.5442 7.5488 7.5488 8.0396 8.0396 8.0460 8.0460 8.6678 8.6678 8.6686 8.6686 9.1128 9.1128 9.1143 9.1143 9.4558 9.4558 9.4595 9.4595 k = 0.1190 0.2062 0.4783 ( 14138 PWs) bands (ev): -33.9687 -33.9687 -33.9687 -33.9687 -15.2361 -15.2361 -15.2361 -15.2361 -14.8703 -14.8703 -14.8703 -14.8703 -14.8453 -14.8453 -14.8453 -14.8453 -2.0388 -2.0388 -2.0388 -2.0388 -0.2166 -0.2166 -0.2158 -0.2158 0.4516 0.4516 0.4539 0.4539 1.4623 1.4623 1.4639 1.4639 1.9089 1.9089 1.9129 1.9129 2.3488 2.3488 2.3538 2.3538 2.5363 2.5363 2.5364 2.5364 3.8916 3.8916 3.8949 3.8949 4.0495 4.0495 4.0616 4.0616 4.1300 4.1300 4.1313 4.1313 4.6724 4.6724 4.6814 4.6814 4.8206 4.8206 4.8477 4.8477 4.9924 4.9924 4.9950 4.9950 5.4567 5.4567 5.4689 5.4689 5.5695 5.5695 5.5875 5.5875 5.9823 5.9823 5.9909 5.9909 6.0847 6.0847 6.0862 6.0862 6.6961 6.6961 6.6978 6.6978 6.7111 6.7111 6.7144 6.7144 7.5955 7.5955 7.5998 7.5998 8.0383 8.0383 8.0450 8.0450 8.7273 8.7273 8.7275 8.7275 9.0782 9.0782 9.0798 9.0798 9.4391 9.4391 9.4401 9.4401 k = 0.1071 0.1856 0.4783 ( 14146 PWs) bands (ev): -33.9687 -33.9687 -33.9687 -33.9687 -15.2361 -15.2361 -15.2361 -15.2361 -14.8703 -14.8703 -14.8703 -14.8703 -14.8453 -14.8453 -14.8453 -14.8453 -2.0618 -2.0618 -2.0618 -2.0618 -0.1314 -0.1314 -0.1307 -0.1307 0.4863 0.4863 0.4885 0.4885 1.4100 1.4100 1.4116 1.4116 1.8916 1.8916 1.8954 1.8954 2.2521 2.2521 2.2568 2.2568 2.5137 2.5137 2.5138 2.5138 3.9239 3.9239 3.9268 3.9268 4.0438 4.0438 4.0531 4.0531 4.1025 4.1025 4.1036 4.1036 4.6848 4.6848 4.6928 4.6928 4.8429 4.8429 4.8638 4.8638 4.9930 4.9930 4.9946 4.9946 5.4717 5.4717 5.4822 5.4822 5.6014 5.6014 5.6178 5.6178 6.0526 6.0526 6.0558 6.0558 6.0826 6.0826 6.0853 6.0853 6.6510 6.6510 6.6566 6.6566 6.7193 6.7193 6.7251 6.7251 7.6562 7.6562 7.6600 7.6600 8.0476 8.0476 8.0543 8.0543 8.7662 8.7662 8.7675 8.7675 9.0352 9.0352 9.0368 9.0368 9.3626 9.3626 9.3632 9.3632 k = 0.0952 0.1650 0.4783 ( 14124 PWs) bands (ev): -33.9687 -33.9687 -33.9687 -33.9687 -15.2361 -15.2361 -15.2361 -15.2361 -14.8703 -14.8703 -14.8703 -14.8703 -14.8453 -14.8453 -14.8453 -14.8453 -2.0826 -2.0826 -2.0826 -2.0826 -0.0442 -0.0442 -0.0435 -0.0435 0.5187 0.5187 0.5208 0.5208 1.3537 1.3537 1.3551 1.3551 1.8769 1.8769 1.8805 1.8805 2.1630 2.1630 2.1673 2.1673 2.4942 2.4942 2.4942 2.4942 3.9431 3.9431 3.9444 3.9444 4.0273 4.0273 4.0297 4.0297 4.0954 4.0954 4.0977 4.0977 4.6987 4.6987 4.7054 4.7054 4.8612 4.8612 4.8769 4.8769 4.9946 4.9946 4.9955 4.9955 5.4869 5.4869 5.4962 5.4962 5.6299 5.6299 5.6448 5.6448 6.0523 6.0523 6.0530 6.0530 6.1520 6.1520 6.1534 6.1534 6.6014 6.6014 6.6056 6.6056 6.7352 6.7352 6.7412 6.7412 7.7254 7.7254 7.7287 7.7287 8.0662 8.0662 8.0725 8.0725 8.7833 8.7833 8.7859 8.7859 8.9891 8.9891 8.9908 8.9908 9.2647 9.2647 9.2659 9.2659 k = 0.0833 0.1443 0.4783 ( 14114 PWs) bands (ev): -33.9687 -33.9687 -33.9687 -33.9687 -15.2361 -15.2361 -15.2361 -15.2361 -14.8703 -14.8703 -14.8703 -14.8703 -14.8453 -14.8453 -14.8453 -14.8453 -2.1010 -2.1010 -2.1010 -2.1010 0.0448 0.0448 0.0455 0.0455 0.5485 0.5485 0.5504 0.5504 1.2922 1.2922 1.2936 1.2936 1.8649 1.8649 1.8681 1.8681 2.0833 2.0833 2.0871 2.0871 2.4771 2.4771 2.4771 2.4771 3.9304 3.9304 3.9312 3.9312 4.0267 4.0267 4.0288 4.0288 4.0972 4.0972 4.1008 4.1008 4.7135 4.7135 4.7188 4.7188 4.8758 4.8758 4.8869 4.8869 4.9971 4.9971 4.9976 4.9976 5.5048 5.5048 5.5131 5.5131 5.6539 5.6539 5.6672 5.6672 6.0356 6.0356 6.0359 6.0359 6.2294 6.2294 6.2305 6.2305 6.5534 6.5534 6.5558 6.5558 6.7563 6.7563 6.7618 6.7618 7.8015 7.8015 7.8044 7.8044 8.0925 8.0925 8.0980 8.0980 8.7796 8.7796 8.7834 8.7834 8.9410 8.9410 8.9429 8.9429 9.1648 9.1648 9.1661 9.1661 k = 0.0714 0.1237 0.4783 ( 14118 PWs) bands (ev): -33.9687 -33.9687 -33.9687 -33.9687 -15.2361 -15.2361 -15.2361 -15.2361 -14.8703 -14.8703 -14.8703 -14.8703 -14.8453 -14.8453 -14.8453 -14.8453 -2.1170 -2.1170 -2.1170 -2.1170 0.1356 0.1356 0.1363 0.1363 0.5752 0.5752 0.5769 0.5769 1.2249 1.2249 1.2261 1.2261 1.8552 1.8552 1.8581 1.8581 2.0144 2.0144 2.0177 2.0177 2.4623 2.4623 2.4623 2.4623 3.8963 3.8963 3.8971 3.8971 4.0434 4.0434 4.0464 4.0464 4.1012 4.1012 4.1049 4.1049 4.7284 4.7284 4.7323 4.7323 4.8867 4.8867 4.8943 4.8943 5.0002 5.0002 5.0004 5.0004 5.5266 5.5266 5.5340 5.5340 5.6735 5.6735 5.6851 5.6851 6.0137 6.0137 6.0139 6.0139 6.2955 6.2955 6.2983 6.2983 6.5101 6.5101 6.5107 6.5107 6.7863 6.7863 6.7909 6.7909 7.8830 7.8830 7.8856 7.8856 8.1249 8.1249 8.1291 8.1291 8.7588 8.7588 8.7631 8.7631 8.8893 8.8893 8.8915 8.8915 9.0725 9.0725 9.0736 9.0736 k = 0.0595 0.1031 0.4783 ( 14108 PWs) bands (ev): -33.9687 -33.9687 -33.9687 -33.9687 -15.2361 -15.2361 -15.2361 -15.2361 -14.8703 -14.8703 -14.8703 -14.8703 -14.8453 -14.8453 -14.8453 -14.8453 -2.1306 -2.1306 -2.1306 -2.1306 0.2278 0.2278 0.2285 0.2285 0.5985 0.5985 0.5999 0.5999 1.1515 1.1515 1.1525 1.1525 1.8476 1.8476 1.8502 1.8502 1.9570 1.9570 1.9598 1.9598 2.4497 2.4497 2.4497 2.4497 3.8597 3.8597 3.8602 3.8602 4.0628 4.0628 4.0657 4.0657 4.1056 4.1056 4.1089 4.1089 4.7428 4.7428 4.7455 4.7455 4.8946 4.8946 4.8993 4.8993 5.0037 5.0037 5.0037 5.0037 5.5527 5.5527 5.5590 5.5590 5.6893 5.6893 5.6990 5.6990 5.9858 5.9858 5.9865 5.9865 6.3458 6.3458 6.3496 6.3496 6.4730 6.4730 6.4741 6.4741 6.8273 6.8273 6.8307 6.8307 7.9679 7.9679 7.9704 7.9704 8.1616 8.1616 8.1640 8.1640 8.7253 8.7253 8.7292 8.7292 8.8310 8.8310 8.8331 8.8331 8.9956 8.9956 8.9963 8.9963 k = 0.0476 0.0825 0.4783 ( 14096 PWs) bands (ev): -33.9687 -33.9687 -33.9687 -33.9687 -15.2360 -15.2360 -15.2360 -15.2360 -14.8703 -14.8703 -14.8703 -14.8703 -14.8453 -14.8453 -14.8453 -14.8453 -2.1418 -2.1418 -2.1418 -2.1418 0.3212 0.3212 0.3217 0.3217 0.6180 0.6180 0.6192 0.6192 1.0724 1.0724 1.0732 1.0732 1.8421 1.8421 1.8442 1.8442 1.9112 1.9112 1.9135 1.9135 2.4394 2.4394 2.4394 2.4394 3.8266 3.8266 3.8268 3.8268 4.0799 4.0799 4.0822 4.0822 4.1100 4.1100 4.1125 4.1125 4.7560 4.7560 4.7576 4.7576 4.9000 4.9000 4.9025 4.9025 5.0071 5.0071 5.0071 5.0071 5.5830 5.5830 5.5881 5.5881 5.7018 5.7018 5.7095 5.7095 5.9521 5.9521 5.9531 5.9531 6.3787 6.3787 6.3829 6.3829 6.4444 6.4444 6.4469 6.4469 6.8771 6.8771 6.8792 6.8792 8.0536 8.0536 8.0563 8.0563 8.2004 8.2004 8.2007 8.2007 8.6840 8.6840 8.6863 8.6863 8.7658 8.7658 8.7670 8.7670 8.9381 8.9381 8.9384 8.9384 k = 0.0357 0.0619 0.4783 ( 14104 PWs) bands (ev): -33.9687 -33.9687 -33.9687 -33.9687 -15.2361 -15.2361 -15.2361 -15.2361 -14.8703 -14.8703 -14.8703 -14.8703 -14.8453 -14.8453 -14.8453 -14.8453 -2.1505 -2.1505 -2.1505 -2.1505 0.4151 0.4151 0.4156 0.4156 0.6335 0.6335 0.6345 0.6345 0.9886 0.9886 0.9891 0.9891 1.8381 1.8381 1.8398 1.8398 1.8766 1.8766 1.8783 1.8783 2.4313 2.4313 2.4313 2.4313 3.7992 3.7992 3.7993 3.7993 4.0932 4.0932 4.0947 4.0947 4.1142 4.1142 4.1158 4.1158 4.7672 4.7672 4.7679 4.7679 4.9033 4.9033 4.9045 4.9045 5.0101 5.0101 5.0101 5.0101 5.6169 5.6169 5.6207 5.6207 5.7117 5.7117 5.7172 5.7172 5.9135 5.9135 5.9146 5.9146 6.3969 6.3969 6.4013 6.4013 6.4251 6.4251 6.4287 6.4287 6.9290 6.9290 6.9300 6.9300 8.1370 8.1370 8.1400 8.1400 8.2367 8.2367 8.2384 8.2384 8.6399 8.6399 8.6402 8.6402 8.6986 8.6986 8.6993 8.6993 8.8974 8.8974 8.8975 8.8975 k = 0.0238 0.0412 0.4783 ( 14104 PWs) bands (ev): -33.9687 -33.9687 -33.9687 -33.9687 -15.2361 -15.2361 -15.2361 -15.2361 -14.8703 -14.8703 -14.8703 -14.8703 -14.8453 -14.8453 -14.8453 -14.8453 -2.1568 -2.1568 -2.1568 -2.1568 0.5085 0.5085 0.5089 0.5089 0.6448 0.6448 0.6454 0.6454 0.9018 0.9018 0.9021 0.9021 1.8356 1.8356 1.8367 1.8367 1.8526 1.8526 1.8538 1.8538 2.4255 2.4255 2.4255 2.4255 3.7789 3.7789 3.7790 3.7790 4.1020 4.1020 4.1026 4.1026 4.1184 4.1184 4.1190 4.1190 4.7757 4.7757 4.7759 4.7759 4.9052 4.9052 4.9056 4.9056 5.0125 5.0125 5.0125 5.0125 5.6526 5.6526 5.6549 5.6549 5.7197 5.7197 5.7229 5.7229 5.8727 5.8727 5.8734 5.8734 6.4052 6.4052 6.4093 6.4093 6.4143 6.4143 6.4181 6.4181 6.9743 6.9743 6.9747 6.9747 8.2130 8.2130 8.2161 8.2161 8.2686 8.2686 8.2717 8.2717 8.5971 8.5971 8.5994 8.5994 8.6361 8.6361 8.6382 8.6382 8.8693 8.8693 8.8693 8.8693 k = 0.0119 0.0206 0.4783 ( 14116 PWs) bands (ev): -33.9687 -33.9687 -33.9687 -33.9687 -15.2361 -15.2361 -15.2361 -15.2361 -14.8703 -14.8703 -14.8703 -14.8703 -14.8453 -14.8453 -14.8453 -14.8453 -2.1605 -2.1605 -2.1605 -2.1605 0.5979 0.5979 0.5981 0.5981 0.6517 0.6517 0.6521 0.6521 0.8161 0.8161 0.8162 0.8162 1.8342 1.8342 1.8347 1.8347 1.8388 1.8388 1.8393 1.8393 2.4220 2.4220 2.4220 2.4220 3.7665 3.7665 3.7665 3.7665 4.1065 4.1065 4.1066 4.1066 4.1217 4.1217 4.1218 4.1218 4.7810 4.7810 4.7810 4.7810 4.9061 4.9061 4.9061 4.9061 5.0140 5.0140 5.0140 5.0140 5.6841 5.6841 5.6848 5.6848 5.7276 5.7276 5.7285 5.7285 5.8351 5.8351 5.8353 5.8353 6.4080 6.4080 6.4092 6.4092 6.4119 6.4119 6.4131 6.4131 7.0053 7.0053 7.0053 7.0053 8.2719 8.2719 8.2739 8.2739 8.2932 8.2932 8.2953 8.2953 8.5653 8.5653 8.5666 8.5666 8.5902 8.5902 8.5913 8.5913 8.8521 8.8521 8.8521 8.8521 k = 0.0000 0.0000 0.4783 ( 14120 PWs) bands (ev): -33.9687 -33.9687 -33.9687 -33.9687 -15.2361 -15.2361 -15.2361 -15.2361 -14.8703 -14.8703 -14.8703 -14.8703 -14.8453 -14.8453 -14.8453 -14.8453 -2.1618 -2.1618 -2.1618 -2.1618 0.6520 0.6520 0.6520 0.6520 0.6561 0.6561 0.6561 0.6561 0.7612 0.7612 0.7612 0.7612 1.8331 1.8331 1.8331 1.8331 1.8351 1.8351 1.8351 1.8351 2.4209 2.4209 2.4209 2.4209 3.7622 3.7622 3.7622 3.7622 4.1078 4.1078 4.1078 4.1078 4.1229 4.1229 4.1229 4.1229 4.7828 4.7828 4.7828 4.7828 4.9063 4.9063 4.9063 4.9063 5.0145 5.0145 5.0145 5.0145 5.6974 5.6974 5.6974 5.6974 5.7337 5.7337 5.7337 5.7337 5.8164 5.8164 5.8164 5.8164 6.4083 6.4083 6.4083 6.4083 6.4119 6.4119 6.4119 6.4119 7.0162 7.0162 7.0162 7.0162 8.2938 8.2938 8.2938 8.2938 8.3064 8.3064 8.3064 8.3064 8.5512 8.5512 8.5512 8.5512 8.5740 8.5740 8.5740 8.5740 8.8462 8.8462 8.8462 8.8462 k = 0.5000 0.2887 0.4783 ( 14140 PWs) bands (ev): -33.9687 -33.9687 -33.9687 -33.9687 -15.2361 -15.2361 -15.2361 -15.2361 -14.8703 -14.8703 -14.8703 -14.8703 -14.8453 -14.8453 -14.8453 -14.8453 -1.6354 -1.6354 -1.6354 -1.6354 -1.0834 -1.0834 -1.0834 -1.0834 0.3118 0.3118 0.3118 0.3118 1.2488 1.2488 1.2488 1.2488 2.8539 2.8539 2.8539 2.8539 3.2845 3.2845 3.2845 3.2845 3.4277 3.4277 3.4277 3.4277 3.5322 3.5322 3.5322 3.5322 3.5882 3.5882 3.5882 3.5882 3.8920 3.8920 3.8920 3.8920 4.2467 4.2467 4.2467 4.2467 4.8513 4.8513 4.8513 4.8513 5.0585 5.0585 5.0585 5.0585 5.1815 5.1815 5.1815 5.1815 5.3254 5.3254 5.3254 5.3254 5.7147 5.7147 5.7147 5.7147 6.0640 6.0640 6.0640 6.0640 6.3622 6.3622 6.3622 6.3622 7.1139 7.1139 7.1139 7.1139 7.5793 7.5793 7.5793 7.5793 8.2441 8.2441 8.2441 8.2441 8.4297 8.4297 8.4297 8.4297 8.8160 8.8160 8.8160 8.8160 9.3290 9.3290 9.3290 9.3290 k = 0.5000 0.2887 0.4543 ( 14132 PWs) bands (ev): -33.9688 -33.9688 -33.9685 -33.9685 -15.2366 -15.2366 -15.2356 -15.2356 -14.8706 -14.8706 -14.8700 -14.8700 -14.8472 -14.8472 -14.8435 -14.8435 -1.6873 -1.6873 -1.5824 -1.5824 -1.1341 -1.1341 -1.0286 -1.0286 0.2620 0.2620 0.3639 0.3639 1.1967 1.1967 1.3031 1.3031 2.7142 2.7142 2.9750 2.9750 3.1921 3.1921 3.3786 3.3786 3.4140 3.4140 3.4295 3.4295 3.5194 3.5194 3.5441 3.5441 3.5740 3.5740 3.6131 3.6131 3.8918 3.8918 3.9098 3.9098 4.1847 4.1847 4.3075 4.3075 4.8315 4.8315 4.8731 4.8731 5.0304 5.0304 5.0803 5.0803 5.1634 5.1634 5.2014 5.2014 5.2881 5.2881 5.3611 5.3611 5.6673 5.6673 5.7722 5.7722 6.0353 6.0353 6.0874 6.0874 6.3248 6.3248 6.4018 6.4018 7.1119 7.1119 7.1288 7.1288 7.5689 7.5689 7.5767 7.5767 8.2016 8.2016 8.2677 8.2677 8.4157 8.4157 8.4186 8.4186 8.8078 8.8078 8.8601 8.8601 9.2742 9.2742 9.3908 9.3908 k = 0.5000 0.2887 0.4304 ( 14142 PWs) bands (ev): -33.9690 -33.9690 -33.9684 -33.9684 -15.2372 -15.2372 -15.2350 -15.2350 -14.8710 -14.8710 -14.8696 -14.8696 -14.8490 -14.8490 -14.8416 -14.8416 -1.7372 -1.7372 -1.5293 -1.5293 -1.1795 -1.1795 -0.9705 -0.9705 0.2146 0.2146 0.4183 0.4183 1.1469 1.1469 1.3594 1.3594 2.5708 2.5708 2.9826 2.9826 3.2024 3.2024 3.3913 3.3913 3.4133 3.4133 3.4474 3.4474 3.5048 3.5048 3.5684 3.5684 3.5702 3.5702 3.6449 3.6449 3.9056 3.9056 3.9472 3.9472 4.1243 4.1243 4.3657 4.3657 4.8123 4.8123 4.8970 4.8970 4.9949 4.9949 5.0980 5.0980 5.1489 5.1489 5.2209 5.2209 5.2519 5.2519 5.3934 5.3934 5.6283 5.6283 5.8407 5.8407 6.0027 6.0027 6.1058 6.1058 6.2925 6.2925 6.4391 6.4391 7.1256 7.1256 7.1542 7.1542 7.5493 7.5493 7.5574 7.5574 8.1434 8.1434 8.2778 8.2778 8.3761 8.3761 8.3870 8.3870 8.8339 8.8339 8.9328 8.9328 9.2322 9.2322 9.4279 9.4279 k = 0.5000 0.2887 0.4065 ( 14124 PWs) bands (ev): -33.9691 -33.9691 -33.9682 -33.9682 -15.2377 -15.2377 -15.2345 -15.2345 -14.8713 -14.8713 -14.8693 -14.8693 -14.8508 -14.8508 -14.8397 -14.8397 -1.7850 -1.7850 -1.4793 -1.4793 -1.2165 -1.2165 -0.9092 -0.9092 0.1695 0.1695 0.4748 0.4748 1.0995 1.0995 1.4177 1.4177 2.4270 2.4270 2.8773 2.8773 3.3124 3.3124 3.3666 3.3666 3.3905 3.3905 3.4634 3.4634 3.4936 3.4936 3.5675 3.5675 3.6211 3.6211 3.6804 3.6804 3.9299 3.9299 4.0036 4.0036 4.0701 4.0701 4.4209 4.4209 4.7920 4.7920 4.9191 4.9191 4.9571 4.9571 5.1132 5.1132 5.1384 5.1384 5.2190 5.2190 5.2405 5.2405 5.4213 5.4213 5.5957 5.5957 5.9180 5.9180 5.9702 5.9702 6.1198 6.1198 6.2662 6.2662 6.4695 6.4695 7.1565 7.1565 7.1878 7.1878 7.5194 7.5194 7.5238 7.5238 8.0754 8.0754 8.2853 8.2853 8.3149 8.3149 8.3425 8.3425 8.8849 8.8849 9.0240 9.0240 9.2007 9.2007 9.4374 9.4374 k = 0.5000 0.2887 0.3826 ( 14122 PWs) bands (ev): -33.9693 -33.9693 -33.9681 -33.9681 -15.2383 -15.2383 -15.2340 -15.2340 -14.8716 -14.8716 -14.8689 -14.8689 -14.8526 -14.8526 -14.8379 -14.8379 -1.8304 -1.8304 -1.4400 -1.4400 -1.2376 -1.2376 -0.8451 -0.8451 0.1269 0.1269 0.5335 0.5335 1.0544 1.0544 1.4777 1.4777 2.2839 2.2839 2.7525 2.7525 3.3394 3.3394 3.3614 3.3614 3.3980 3.3980 3.4568 3.4568 3.5171 3.5171 3.5563 3.5563 3.6806 3.6806 3.7177 3.7177 3.9623 3.9623 4.0274 4.0274 4.0765 4.0765 4.4731 4.4731 4.7664 4.7664 4.8985 4.8985 4.9614 4.9614 5.1215 5.1215 5.1341 5.1341 5.1985 5.1985 5.2571 5.2571 5.4448 5.4448 5.5680 5.5680 5.9289 5.9289 6.0143 6.0143 6.1303 6.1303 6.2453 6.2453 6.4904 6.4904 7.2036 7.2036 7.2281 7.2281 7.4645 7.4645 7.4945 7.4945 8.0027 8.0027 8.2363 8.2363 8.2913 8.2913 8.3021 8.3021 8.9502 8.9502 9.1246 9.1246 9.1761 9.1761 9.4313 9.4313 k = 0.5000 0.2887 0.3587 ( 14122 PWs) bands (ev): -33.9694 -33.9694 -33.9679 -33.9679 -15.2388 -15.2388 -15.2336 -15.2336 -14.8720 -14.8720 -14.8686 -14.8686 -14.8543 -14.8543 -14.8361 -14.8361 -1.8733 -1.8733 -1.4244 -1.4244 -1.2298 -1.2298 -0.7784 -0.7784 0.0867 0.0867 0.5941 0.5941 1.0117 1.0117 1.5392 1.5392 2.1421 2.1421 2.6235 2.6235 3.3126 3.3126 3.3307 3.3307 3.4020 3.4020 3.4407 3.4407 3.5279 3.5279 3.6180 3.6180 3.7344 3.7344 3.7557 3.7557 4.0006 4.0006 4.0054 4.0054 4.1572 4.1572 4.5227 4.5227 4.7292 4.7292 4.8597 4.8597 4.9882 4.9882 5.1114 5.1114 5.1427 5.1427 5.1977 5.1977 5.2742 5.2742 5.4636 5.4636 5.5443 5.5443 5.8975 5.8975 6.1102 6.1102 6.1380 6.1380 6.2287 6.2287 6.5014 6.5014 7.2622 7.2622 7.2743 7.2743 7.3968 7.3968 7.4632 7.4632 7.9285 7.9285 8.1486 8.1486 8.2434 8.2434 8.3258 8.3258 9.0222 9.0222 9.1547 9.1547 9.2275 9.2275 9.4003 9.4003 k = 0.5000 0.2887 0.3348 ( 14134 PWs) bands (ev): -33.9696 -33.9696 -33.9678 -33.9678 -15.2393 -15.2393 -15.2332 -15.2332 -14.8723 -14.8723 -14.8683 -14.8683 -14.8559 -14.8559 -14.8344 -14.8344 -1.9136 -1.9136 -1.4348 -1.4348 -1.1908 -1.1908 -0.7090 -0.7090 0.0491 0.0491 0.6566 0.6566 0.9715 0.9715 1.6018 1.6018 2.0020 2.0020 2.4938 2.4938 3.2860 3.2860 3.2988 3.2988 3.3833 3.3833 3.4201 3.4201 3.4810 3.4810 3.7328 3.7328 3.7816 3.7816 3.7942 3.7942 4.0011 4.0011 4.0494 4.0494 4.2404 4.2404 4.5701 4.5701 4.6765 4.6765 4.8304 4.8304 5.0093 5.0093 5.0986 5.0986 5.1539 5.1539 5.2160 5.2160 5.2955 5.2955 5.4766 5.4766 5.5259 5.5259 5.8687 5.8687 6.1433 6.1433 6.2078 6.2078 6.2190 6.2190 6.5040 6.5040 7.3193 7.3193 7.3221 7.3221 7.3320 7.3320 7.4309 7.4309 7.8552 7.8552 8.0554 8.0554 8.2030 8.2030 8.3600 8.3600 9.0956 9.0956 9.1365 9.1365 9.3231 9.3231 9.3620 9.3620 k = 0.5000 0.2887 0.3109 ( 14136 PWs) bands (ev): -33.9697 -33.9697 -33.9677 -33.9677 -15.2399 -15.2399 -15.2327 -15.2327 -14.8726 -14.8726 -14.8680 -14.8680 -14.8574 -14.8574 -14.8327 -14.8327 -1.9512 -1.9512 -1.4586 -1.4586 -1.1334 -1.1334 -0.6374 -0.6374 0.0139 0.0139 0.7208 0.7208 0.9336 0.9336 1.6646 1.6646 1.8642 1.8642 2.3656 2.3656 3.2585 3.2585 3.2666 3.2666 3.3608 3.3608 3.3970 3.3970 3.4209 3.4209 3.8210 3.8210 3.8256 3.8256 3.8440 3.8440 4.0157 4.0157 4.1076 4.1076 4.3207 4.3207 4.6066 4.6066 4.6216 4.6216 4.8105 4.8105 5.0135 5.0135 5.0963 5.0963 5.1696 5.1696 5.2402 5.2402 5.3309 5.3309 5.4777 5.4777 5.5188 5.5188 5.8438 5.8438 6.1467 6.1467 6.2035 6.2035 6.3129 6.3129 6.5005 6.5005 7.2485 7.2485 7.3743 7.3743 7.3908 7.3908 7.3992 7.3992 7.7842 7.7842 7.9602 7.9602 8.1783 8.1783 8.4017 8.4017 9.1170 9.1170 9.1694 9.1694 9.3225 9.3225 9.4045 9.4045 k = 0.5000 0.2887 0.2870 ( 14116 PWs) bands (ev): -33.9698 -33.9698 -33.9676 -33.9676 -15.2403 -15.2403 -15.2323 -15.2323 -14.8729 -14.8729 -14.8677 -14.8677 -14.8589 -14.8589 -14.8311 -14.8311 -1.9862 -1.9862 -1.4864 -1.4864 -1.0670 -1.0670 -0.5634 -0.5634 -0.0187 -0.0187 0.7866 0.7866 0.8982 0.8982 1.7259 1.7259 1.7289 1.7289 2.2411 2.2411 3.2223 3.2223 3.2393 3.2393 3.3365 3.3365 3.3520 3.3520 3.3788 3.3788 3.8597 3.8597 3.8645 3.8645 3.9196 3.9196 4.0430 4.0430 4.1792 4.1792 4.3949 4.3949 4.5426 4.5426 4.6621 4.6621 4.7965 4.7965 5.0009 5.0009 5.1056 5.1056 5.1919 5.1919 5.2592 5.2592 5.3886 5.3886 5.4659 5.4659 5.5251 5.5251 5.8231 5.8231 6.1485 6.1485 6.1944 6.1944 6.4049 6.4049 6.4930 6.4930 7.1851 7.1851 7.3656 7.3656 7.4291 7.4291 7.4417 7.4417 7.7169 7.7169 7.8659 7.8659 8.1766 8.1766 8.4491 8.4491 9.1002 9.1002 9.2357 9.2357 9.2859 9.2859 9.4643 9.4643 k = 0.5000 0.2887 0.2630 ( 14108 PWs) bands (ev): -33.9699 -33.9699 -33.9674 -33.9674 -15.2408 -15.2408 -15.2320 -15.2320 -14.8731 -14.8731 -14.8675 -14.8675 -14.8603 -14.8603 -14.8296 -14.8296 -2.0184 -2.0184 -1.5146 -1.5146 -0.9953 -0.9953 -0.4875 -0.4875 -0.0488 -0.0488 0.8535 0.8535 0.8651 0.8651 1.5966 1.5966 1.7810 1.7810 2.1255 2.1255 3.1712 3.1712 3.2162 3.2162 3.2890 3.2890 3.3181 3.3181 3.3566 3.3566 3.8936 3.8936 3.8985 3.8985 3.9715 3.9715 4.0783 4.0783 4.2605 4.2605 4.4616 4.4616 4.4794 4.4794 4.7041 4.7041 4.7874 4.7874 4.9807 4.9807 5.1184 5.1184 5.2204 5.2204 5.2745 5.2745 5.4455 5.4455 5.4688 5.4688 5.5376 5.5376 5.8064 5.8064 6.1489 6.1489 6.1866 6.1866 6.4730 6.4730 6.4861 6.4861 7.1461 7.1461 7.3335 7.3335 7.4702 7.4702 7.4870 7.4870 7.6540 7.6540 7.7751 7.7751 8.2023 8.2023 8.4999 8.4999 9.0831 9.0831 9.2485 9.2485 9.2982 9.2982 9.5032 9.5032 k = 0.5000 0.2887 0.2391 ( 14106 PWs) bands (ev): -33.9700 -33.9700 -33.9673 -33.9673 -15.2413 -15.2413 -15.2316 -15.2316 -14.8734 -14.8734 -14.8672 -14.8672 -14.8616 -14.8616 -14.8282 -14.8282 -2.0479 -2.0479 -1.5417 -1.5417 -0.9203 -0.9203 -0.4097 -0.4097 -0.0763 -0.0763 0.8341 0.8341 0.9216 0.9216 1.4677 1.4677 1.8120 1.8120 2.0368 2.0368 3.1019 3.1019 3.1951 3.1951 3.2448 3.2448 3.2969 3.2969 3.3362 3.3362 3.9245 3.9245 3.9294 3.9294 3.9965 3.9965 4.1186 4.1186 4.3350 4.3350 4.4369 4.4369 4.5206 4.5206 4.7354 4.7354 4.7905 4.7905 4.9576 4.9576 5.1311 5.1311 5.2474 5.2474 5.2981 5.2981 5.4320 5.4320 5.5307 5.5307 5.5752 5.5752 5.7934 5.7934 6.1480 6.1480 6.1801 6.1801 6.4724 6.4724 6.5101 6.5101 7.1481 7.1481 7.3022 7.3022 7.4819 7.4819 7.5375 7.5375 7.5964 7.5964 7.6939 7.6939 8.2534 8.2534 8.5523 8.5523 9.0654 9.0654 9.2182 9.2182 9.3479 9.3479 9.5258 9.5258 k = 0.5000 0.2887 0.2152 ( 14102 PWs) bands (ev): -33.9701 -33.9701 -33.9672 -33.9672 -15.2417 -15.2417 -15.2313 -15.2313 -14.8736 -14.8736 -14.8670 -14.8670 -14.8627 -14.8627 -14.8268 -14.8268 -2.0747 -2.0747 -1.5668 -1.5668 -0.8428 -0.8428 -0.3305 -0.3305 -0.1012 -0.1012 0.8050 0.8050 0.9901 0.9901 1.3430 1.3430 1.7755 1.7755 2.0186 2.0186 3.0202 3.0202 3.1759 3.1759 3.2128 3.2128 3.2775 3.2775 3.3174 3.3174 3.9518 3.9518 3.9555 3.9555 3.9952 3.9952 4.1623 4.1623 4.3590 4.3590 4.4594 4.4594 4.5724 4.5724 4.7412 4.7412 4.8200 4.8200 4.9333 4.9333 5.1430 5.1430 5.2620 5.2620 5.3409 5.3409 5.4201 5.4201 5.5492 5.5492 5.6644 5.6644 5.7838 5.7838 6.1458 6.1458 6.1749 6.1749 6.4652 6.4652 6.4980 6.4980 7.1988 7.1988 7.2716 7.2716 7.4783 7.4783 7.5443 7.5443 7.5511 7.5511 7.6560 7.6560 8.3215 8.3215 8.6039 8.6039 9.0459 9.0459 9.1931 9.1931 9.3870 9.3870 9.5378 9.5378 k = 0.5000 0.2887 0.1913 ( 14088 PWs) bands (ev): -33.9702 -33.9702 -33.9671 -33.9671 -15.2421 -15.2421 -15.2310 -15.2310 -14.8738 -14.8738 -14.8667 -14.8667 -14.8638 -14.8638 -14.8256 -14.8256 -2.0986 -2.0986 -1.5896 -1.5896 -0.7637 -0.7637 -0.2502 -0.2502 -0.1235 -0.1235 0.7774 0.7774 1.0587 1.0587 1.2233 1.2233 1.6837 1.6837 2.0585 2.0585 2.9337 2.9337 3.1586 3.1586 3.1881 3.1881 3.2597 3.2597 3.3002 3.3002 3.9497 3.9497 3.9780 3.9780 3.9934 3.9934 4.2083 4.2083 4.3571 4.3571 4.5208 4.5208 4.6171 4.6171 4.7347 4.7347 4.8611 4.8611 4.9092 4.9092 5.1540 5.1540 5.2694 5.2694 5.3754 5.3754 5.4351 5.4351 5.5614 5.5614 5.7592 5.7592 5.7775 5.7775 6.1426 6.1426 6.1710 6.1710 6.4509 6.4509 6.4640 6.4640 7.2422 7.2422 7.2880 7.2880 7.4653 7.4653 7.4935 7.4935 7.5019 7.5019 7.6929 7.6929 8.3943 8.3943 8.6523 8.6523 9.0218 9.0218 9.1769 9.1769 9.4146 9.4146 9.4732 9.4732 k = 0.5000 0.2887 0.1674 ( 14098 PWs) bands (ev): -33.9703 -33.9703 -33.9670 -33.9670 -15.2424 -15.2424 -15.2308 -15.2308 -14.8740 -14.8740 -14.8666 -14.8666 -14.8648 -14.8648 -14.8245 -14.8245 -2.1198 -2.1198 -1.6100 -1.6100 -0.6836 -0.6836 -0.1695 -0.1695 -0.1432 -0.1432 0.7504 0.7504 1.1102 1.1102 1.1264 1.1264 1.5778 1.5778 2.1153 2.1153 2.8468 2.8468 3.1433 3.1433 3.1678 3.1678 3.2437 3.2437 3.2847 3.2847 3.9014 3.9014 3.9997 3.9997 4.0124 4.0124 4.2557 4.2557 4.3662 4.3662 4.5770 4.5770 4.6547 4.6547 4.7267 4.7267 4.8742 4.8742 4.9151 4.9151 5.1641 5.1641 5.2747 5.2747 5.3718 5.3718 5.5000 5.5000 5.5733 5.5733 5.7741 5.7741 5.8464 5.8464 6.1382 6.1382 6.1687 6.1687 6.3848 6.3848 6.4722 6.4722 7.2143 7.2143 7.3998 7.3998 7.4225 7.4225 7.4528 7.4528 7.4644 7.4644 7.7477 7.7477 8.4585 8.4585 8.6937 8.6937 8.9866 8.9866 9.1751 9.1751 9.3214 9.3214 9.4337 9.4337 k = 0.5000 0.2887 0.1435 ( 14090 PWs) bands (ev): -33.9704 -33.9704 -33.9670 -33.9670 -15.2427 -15.2427 -15.2306 -15.2306 -14.8742 -14.8742 -14.8664 -14.8664 -14.8656 -14.8656 -14.8236 -14.8236 -2.1382 -2.1382 -1.6279 -1.6279 -0.6035 -0.6035 -0.1603 -0.1603 -0.0892 -0.0892 0.7220 0.7220 1.0065 1.0065 1.1924 1.1924 1.4714 1.4714 2.1754 2.1754 2.7625 2.7625 3.1299 3.1299 3.1509 3.1509 3.2295 3.2295 3.2712 3.2712 3.8402 3.8402 4.0186 4.0186 4.0315 4.0315 4.3035 4.3035 4.3844 4.3844 4.6213 4.6213 4.6827 4.6827 4.7230 4.7230 4.8483 4.8483 4.9588 4.9588 5.1731 5.1731 5.2798 5.2798 5.3610 5.3610 5.5767 5.5767 5.5875 5.5875 5.7743 5.7743 5.9178 5.9178 6.1331 6.1331 6.1687 6.1687 6.3098 6.3098 6.4949 6.4949 7.1884 7.1884 7.3590 7.3590 7.4246 7.4246 7.4448 7.4448 7.5255 7.5255 7.8039 7.8039 8.5010 8.5010 8.7238 8.7238 8.9272 8.9272 9.1918 9.1918 9.2071 9.2071 9.4478 9.4478 k = 0.5000 0.2887 0.1196 ( 14110 PWs) bands (ev): -33.9705 -33.9705 -33.9669 -33.9669 -15.2430 -15.2430 -15.2304 -15.2304 -14.8743 -14.8743 -14.8663 -14.8663 -14.8662 -14.8662 -14.8228 -14.8228 -2.1537 -2.1537 -1.6430 -1.6430 -0.5249 -0.5249 -0.1748 -0.1748 -0.0107 -0.0107 0.6890 0.6890 0.9168 0.9168 1.2552 1.2552 1.3692 1.3692 2.2339 2.2339 2.6831 2.6831 3.1184 3.1184 3.1369 3.1369 3.2170 3.2170 3.2596 3.2596 3.7764 3.7764 4.0345 4.0345 4.0480 4.0480 4.3506 4.3506 4.4077 4.4077 4.6497 4.6497 4.6962 4.6962 4.7324 4.7324 4.8197 4.8197 5.0031 5.0031 5.1807 5.1807 5.2852 5.2852 5.3506 5.3506 5.5995 5.5995 5.6541 5.6541 5.7800 5.7800 5.9680 5.9680 6.1280 6.1280 6.1716 6.1716 6.2330 6.2330 6.5334 6.5334 7.1651 7.1651 7.3016 7.3016 7.3982 7.3982 7.4361 7.4361 7.6539 7.6539 7.8576 7.8576 8.5139 8.5139 8.7376 8.7376 8.8360 8.8360 9.1348 9.1348 9.2362 9.2362 9.4453 9.4453 k = 0.5000 0.2887 0.0957 ( 14114 PWs) bands (ev): -33.9705 -33.9705 -33.9668 -33.9668 -15.2432 -15.2432 -15.2303 -15.2303 -14.8745 -14.8745 -14.8669 -14.8669 -14.8661 -14.8661 -14.8221 -14.8221 -2.1665 -2.1665 -1.6555 -1.6555 -0.4498 -0.4498 -0.1866 -0.1866 0.0640 0.0640 0.6468 0.6468 0.8478 0.8478 1.2744 1.2744 1.3130 1.3130 2.2879 2.2879 2.6113 2.6113 3.1091 3.1091 3.1256 3.1256 3.2065 3.2065 3.2501 3.2501 3.7161 3.7161 4.0475 4.0475 4.0615 4.0615 4.3940 4.3940 4.4351 4.4351 4.6573 4.6573 4.7061 4.7061 4.7475 4.7475 4.7936 4.7936 5.0444 5.0444 5.1868 5.1868 5.2907 5.2907 5.3423 5.3423 5.6154 5.6154 5.7115 5.7115 5.7985 5.7985 5.9963 5.9963 6.1244 6.1244 6.1571 6.1571 6.1799 6.1799 6.5835 6.5835 7.1451 7.1451 7.2526 7.2526 7.3768 7.3768 7.4334 7.4334 7.7819 7.7819 7.9067 7.9067 8.4989 8.4989 8.7264 8.7264 8.7347 8.7347 9.0987 9.0987 9.2957 9.2957 9.3932 9.3932 k = 0.5000 0.2887 0.0717 ( 14098 PWs) bands (ev): -33.9705 -33.9705 -33.9668 -33.9668 -15.2434 -15.2434 -15.2301 -15.2301 -14.8745 -14.8745 -14.8674 -14.8674 -14.8660 -14.8660 -14.8215 -14.8215 -2.1764 -2.1764 -1.6652 -1.6652 -0.3813 -0.3813 -0.1958 -0.1958 0.1317 0.1317 0.5953 0.5953 0.8028 0.8028 1.1908 1.1908 1.3632 1.3632 2.3345 2.3345 2.5498 2.5498 3.1017 3.1017 3.1169 3.1169 3.1979 3.1979 3.2426 3.2426 3.6637 3.6637 4.0575 4.0575 4.0721 4.0721 4.4280 4.4280 4.4694 4.4694 4.6518 4.6518 4.7085 4.7085 4.7534 4.7534 4.7830 4.7830 5.0802 5.0802 5.1912 5.1912 5.2956 5.2956 5.3367 5.3367 5.6331 5.6331 5.7386 5.7386 5.8353 5.8353 6.0076 6.0076 6.0896 6.0896 6.1231 6.1231 6.1902 6.1902 6.6362 6.6362 7.1288 7.1288 7.2132 7.2132 7.3606 7.3606 7.4362 7.4362 7.9036 7.9036 7.9487 7.9487 8.4659 8.4659 8.6302 8.6302 8.7053 8.7053 9.0790 9.0790 9.3485 9.3485 9.3604 9.3604 k = 0.5000 0.2887 0.0478 ( 14102 PWs) bands (ev): -33.9706 -33.9706 -33.9668 -33.9668 -15.2435 -15.2435 -15.2301 -15.2301 -14.8746 -14.8746 -14.8677 -14.8677 -14.8660 -14.8660 -14.8211 -14.8211 -2.1834 -2.1834 -1.6722 -1.6722 -0.3243 -0.3243 -0.2024 -0.2024 0.1876 0.1876 0.5440 0.5440 0.7771 0.7771 1.1233 1.1233 1.4027 1.4027 2.3708 2.3708 2.5021 2.5021 3.0965 3.0965 3.1107 3.1107 3.1915 3.1915 3.2372 3.2372 3.6230 3.6230 4.0646 4.0646 4.0796 4.0796 4.4503 4.4503 4.5100 4.5100 4.6425 4.6425 4.6892 4.6892 4.7565 4.7565 4.7888 4.7888 5.1081 5.1081 5.1939 5.1939 5.2990 5.2990 5.3342 5.3342 5.6511 5.6511 5.7483 5.7483 5.8722 5.8722 6.0092 6.0092 6.0328 6.0328 6.1231 6.1231 6.2033 6.2033 6.6818 6.6818 7.1169 7.1169 7.1842 7.1842 7.3492 7.3492 7.4429 7.4429 7.9811 7.9811 8.0115 8.0115 8.4280 8.4280 8.5511 8.5511 8.6647 8.6647 9.0676 9.0676 9.3143 9.3143 9.4129 9.4129 k = 0.5000 0.2887 0.0239 ( 14094 PWs) bands (ev): -33.9706 -33.9706 -33.9668 -33.9668 -15.2436 -15.2436 -15.2300 -15.2300 -14.8746 -14.8746 -14.8679 -14.8679 -14.8659 -14.8659 -14.8209 -14.8209 -2.1877 -2.1877 -1.6763 -1.6763 -0.2855 -0.2855 -0.2063 -0.2063 0.2255 0.2255 0.5060 0.5060 0.7642 0.7642 1.0785 1.0785 1.4283 1.4283 2.3940 2.3940 2.4716 2.4716 3.0934 3.0934 3.1069 3.1069 3.1875 3.1875 3.2340 3.2340 3.5971 3.5971 4.0689 4.0689 4.0841 4.0841 4.4635 4.4635 4.5505 4.5505 4.6304 4.6304 4.6630 4.6630 4.7612 4.7612 4.7947 4.7947 5.1260 5.1260 5.1954 5.1954 5.3006 5.3006 5.3337 5.3337 5.6660 5.6660 5.7522 5.7522 5.8957 5.8957 5.9934 5.9934 6.0078 6.0078 6.1234 6.1234 6.2145 6.2145 6.7123 6.7123 7.1096 7.1096 7.1664 7.1664 7.3424 7.3424 7.4497 7.4497 8.0021 8.0021 8.0912 8.0912 8.3986 8.3986 8.5001 8.5001 8.6242 8.6242 9.0614 9.0614 9.2928 9.2928 9.4380 9.4380 k = 0.5000 0.2887-0.0000 ( 14094 PWs) bands (ev): -33.9706 -33.9706 -33.9668 -33.9668 -15.2436 -15.2436 -15.2300 -15.2300 -14.8747 -14.8747 -14.8680 -14.8680 -14.8659 -14.8659 -14.8208 -14.8208 -2.1891 -2.1891 -1.6777 -1.6777 -0.2715 -0.2715 -0.2076 -0.2076 0.2391 0.2391 0.4920 0.4920 0.7602 0.7602 1.0626 1.0626 1.4372 1.4372 2.4020 2.4020 2.4612 2.4612 3.0923 3.0923 3.1057 3.1057 3.1861 3.1861 3.2329 3.2329 3.5882 3.5882 4.0703 4.0703 4.0855 4.0855 4.4680 4.4680 4.5754 4.5754 4.6166 4.6166 4.6522 4.6522 4.7632 4.7632 4.7969 4.7969 5.1322 5.1322 5.1958 5.1958 5.3010 5.3010 5.3337 5.3337 5.6720 5.6720 5.7534 5.7534 5.9033 5.9033 5.9794 5.9794 6.0068 6.0068 6.1236 6.1236 6.2189 6.2189 6.7230 6.7230 7.1071 7.1071 7.1604 7.1604 7.3402 7.3402 7.4526 7.4526 8.0093 8.0093 8.1222 8.1222 8.3875 8.3875 8.4825 8.4825 8.6061 8.6061 9.0594 9.0594 9.2854 9.2854 9.4426 9.4427 k = 0.3333 0.5774-0.0000 ( 14118 PWs) bands (ev): -33.9706 -33.9706 -33.9668 -33.9668 -15.2436 -15.2436 -15.2300 -15.2300 -14.8747 -14.8747 -14.8680 -14.8680 -14.8659 -14.8659 -14.8208 -14.8208 -1.9168 -1.9168 -1.9167 -1.9167 -0.6165 -0.6165 -0.0050 -0.0050 -0.0046 -0.0046 0.8047 0.8047 0.8057 0.8057 1.1024 1.1024 1.9803 1.9803 1.9817 1.9817 2.1886 2.1886 2.2585 2.2585 3.3768 3.3768 3.3938 3.3938 3.8721 3.8721 3.9172 3.9172 3.9893 3.9893 4.1955 4.1955 4.2806 4.2806 4.6682 4.6682 4.6810 4.6810 4.7844 4.7844 4.7897 4.7897 4.9065 4.9065 4.9139 4.9139 4.9350 4.9350 5.1625 5.1625 5.2700 5.2700 5.6626 5.6626 5.7108 5.7108 6.3340 6.3340 6.3367 6.3367 6.3553 6.3553 6.3651 6.3651 6.4850 6.4850 6.4865 6.4865 6.6223 6.6223 6.9243 6.9243 7.0762 7.0762 7.4053 7.4053 7.5278 7.5278 7.5361 7.5361 7.9656 7.9656 7.9813 7.9813 8.6834 8.6834 8.6837 8.6837 8.9805 8.9805 9.1700 9.1700 k = 0.3333 0.5774 0.0239 ( 14124 PWs) bands (ev): -33.9706 -33.9706 -33.9668 -33.9668 -15.2436 -15.2436 -15.2300 -15.2300 -14.8746 -14.8746 -14.8680 -14.8680 -14.8660 -14.8660 -14.8209 -14.8209 -1.9154 -1.9154 -1.9153 -1.9153 -0.6151 -0.6151 -0.0187 -0.0187 -0.0184 -0.0184 0.8209 0.8209 0.8219 0.8219 1.0932 1.0932 1.9816 1.9816 1.9830 1.9830 2.1997 2.1997 2.2598 2.2598 3.3716 3.3716 3.3883 3.3883 3.8729 3.8729 3.9183 3.9183 3.9695 3.9695 4.2142 4.2142 4.2804 4.2804 4.6674 4.6674 4.6769 4.6769 4.7813 4.7813 4.7833 4.7833 4.9058 4.9058 4.9254 4.9254 4.9462 4.9462 5.1623 5.1623 5.2729 5.2729 5.6613 5.6613 5.7089 5.7089 6.3277 6.3277 6.3304 6.3304 6.3419 6.3419 6.3513 6.3513 6.4886 6.4886 6.4910 6.4910 6.6257 6.6257 6.9173 6.9173 7.0638 7.0638 7.4136 7.4136 7.5260 7.5260 7.5343 7.5343 7.9721 7.9721 7.9877 7.9877 8.7028 8.7028 8.7032 8.7032 8.9706 8.9706 9.1639 9.1639 k = 0.3333 0.5774 0.0478 ( 14115 PWs) bands (ev): -33.9706 -33.9706 -33.9668 -33.9668 -15.2435 -15.2435 -15.2301 -15.2301 -14.8746 -14.8746 -14.8677 -14.8677 -14.8660 -14.8660 -14.8211 -14.8211 -1.9111 -1.9111 -1.9111 -1.9111 -0.6109 -0.6109 -0.0571 -0.0571 -0.0568 -0.0568 0.8667 0.8667 0.8677 0.8677 1.0668 1.0668 1.9855 1.9855 1.9869 1.9869 2.2318 2.2318 2.2637 2.2637 3.3561 3.3561 3.3721 3.3721 3.8735 3.8735 3.9216 3.9216 3.9251 3.9251 4.2558 4.2558 4.2809 4.2809 4.6654 4.6654 4.6659 4.6659 4.7679 4.7679 4.7737 4.7737 4.9039 4.9039 4.9563 4.9563 4.9760 4.9760 5.1620 5.1620 5.2815 5.2815 5.6573 5.6573 5.7032 5.7032 6.2900 6.2900 6.2949 6.2949 6.3256 6.3256 6.3327 6.3327 6.4960 6.4960 6.5003 6.5003 6.6362 6.6362 6.8944 6.8944 7.0332 7.0332 7.4338 7.4338 7.5213 7.5213 7.5292 7.5292 7.9916 7.9916 8.0066 8.0066 8.7594 8.7594 8.7599 8.7599 8.9472 8.9472 9.1458 9.1458 k = 0.3333 0.5774 0.0717 ( 14109 PWs) bands (ev): -33.9705 -33.9705 -33.9668 -33.9668 -15.2434 -15.2434 -15.2301 -15.2301 -14.8745 -14.8745 -14.8674 -14.8674 -14.8661 -14.8661 -14.8215 -14.8215 -1.9041 -1.9041 -1.9041 -1.9041 -0.6040 -0.6040 -0.1135 -0.1135 -0.1132 -0.1132 0.9356 0.9356 0.9366 0.9366 1.0259 1.0259 1.9920 1.9920 1.9934 1.9934 2.2703 2.2703 2.2821 2.2821 3.3312 3.3312 3.3462 3.3462 3.8521 3.8521 3.8931 3.8931 3.9266 3.9266 4.2747 4.2747 4.3119 4.3119 4.6511 4.6511 4.6621 4.6621 4.7483 4.7483 4.7636 4.7636 4.9010 4.9010 5.0010 5.0010 5.0182 5.0182 5.1617 5.1617 5.2954 5.2954 5.6497 5.6497 5.6927 5.6927 6.2258 6.2258 6.2314 6.2314 6.3103 6.3103 6.3181 6.3181 6.5038 6.5038 6.5097 6.5097 6.6537 6.6537 6.8518 6.8518 6.9963 6.9963 7.4570 7.4570 7.5144 7.5144 7.5219 7.5219 8.0232 8.0232 8.0375 8.0375 8.8475 8.8475 8.8496 8.8496 8.9241 8.9241 9.1166 9.1166 k = 0.3333 0.5774 0.0957 ( 14127 PWs) bands (ev): -33.9705 -33.9705 -33.9669 -33.9669 -15.2433 -15.2433 -15.2303 -15.2303 -14.8745 -14.8745 -14.8669 -14.8669 -14.8662 -14.8662 -14.8221 -14.8221 -1.8944 -1.8944 -1.8943 -1.8943 -0.5943 -0.5943 -0.1816 -0.1816 -0.1812 -0.1812 0.9739 0.9739 1.0209 1.0209 1.0219 1.0219 2.0011 2.0011 2.0024 2.0024 2.2795 2.2795 2.3470 2.3470 3.2982 3.2982 3.3120 3.3120 3.7939 3.7939 3.8944 3.8944 3.9328 3.9328 4.2727 4.2727 4.3648 4.3648 4.6345 4.6345 4.6579 4.6579 4.7265 4.7265 4.7511 4.7511 4.8977 4.8977 5.0553 5.0553 5.0682 5.0682 5.1621 5.1621 5.3140 5.3140 5.6372 5.6372 5.6755 5.6755 6.1484 6.1484 6.1554 6.1554 6.2913 6.2913 6.3010 6.3010 6.5108 6.5108 6.5179 6.5179 6.6781 6.6781 6.7894 6.7894 6.9592 6.9592 7.4771 7.4771 7.5062 7.5062 7.5132 7.5132 8.0659 8.0659 8.0793 8.0793 8.9031 8.9031 8.9664 8.9664 8.9708 8.9708 9.0777 9.0777 k = 0.3333 0.5774 0.1196 ( 14121 PWs) bands (ev): -33.9704 -33.9704 -33.9669 -33.9669 -15.2430 -15.2430 -15.2304 -15.2304 -14.8743 -14.8743 -14.8664 -14.8664 -14.8663 -14.8663 -14.8227 -14.8227 -1.8818 -1.8818 -1.8817 -1.8817 -0.5818 -0.5818 -0.2564 -0.2564 -0.2561 -0.2561 0.9139 0.9139 1.1179 1.1179 1.1190 1.1190 2.0128 2.0128 2.0141 2.0141 2.2912 2.2912 2.4233 2.4233 3.2585 3.2585 3.2711 3.2711 3.7295 3.7295 3.9008 3.9008 3.9398 3.9398 4.2692 4.2692 4.4177 4.4177 4.6173 4.6173 4.6530 4.6530 4.7027 4.7027 4.7361 4.7361 4.8945 4.8945 5.1166 5.1166 5.1190 5.1190 5.1677 5.1677 5.3367 5.3367 5.6177 5.6177 5.6489 5.6489 6.0663 6.0663 6.0762 6.0762 6.2693 6.2693 6.2817 6.2817 6.5170 6.5170 6.5251 6.5251 6.7039 6.7039 6.7173 6.7173 6.9199 6.9199 7.4920 7.4920 7.4975 7.4975 7.5040 7.5040 8.1187 8.1187 8.1310 8.1310 8.9073 8.9073 9.0302 9.0302 9.1047 9.1047 9.1076 9.1076 k = 0.3333 0.5774 0.1435 ( 14112 PWs) bands (ev): -33.9704 -33.9704 -33.9670 -33.9670 -15.2428 -15.2428 -15.2306 -15.2306 -14.8742 -14.8742 -14.8664 -14.8664 -14.8656 -14.8656 -14.8236 -14.8236 -1.8664 -1.8664 -1.8664 -1.8664 -0.5666 -0.5666 -0.3350 -0.3350 -0.3346 -0.3346 0.8486 0.8486 1.2233 1.2233 1.2244 1.2244 2.0271 2.0271 2.0285 2.0285 2.3056 2.3056 2.5081 2.5081 3.2135 3.2135 3.2249 3.2249 3.6637 3.6637 3.9080 3.9080 3.9469 3.9469 4.2644 4.2644 4.4684 4.4684 4.5995 4.5995 4.6476 4.6476 4.6762 4.6762 4.7183 4.7183 4.8921 4.8921 5.1434 5.1434 5.1822 5.1822 5.2032 5.2032 5.3627 5.3627 5.5882 5.5882 5.6096 5.6096 5.9887 5.9887 6.0031 6.0031 6.2453 6.2453 6.2609 6.2609 6.5225 6.5225 6.5314 6.5314 6.6221 6.6221 6.7490 6.7490 6.8758 6.8758 7.4886 7.4886 7.4938 7.4938 7.5035 7.5035 8.1802 8.1802 8.1912 8.1912 8.9287 8.9287 8.9765 8.9765 9.2592 9.2593 9.2620 9.2620 k = 0.3333 0.5774 0.1674 ( 14109 PWs) bands (ev): -33.9703 -33.9703 -33.9670 -33.9670 -15.2424 -15.2424 -15.2308 -15.2308 -14.8740 -14.8740 -14.8666 -14.8666 -14.8648 -14.8648 -14.8245 -14.8245 -1.8483 -1.8483 -1.8483 -1.8483 -0.5486 -0.5486 -0.4151 -0.4151 -0.4147 -0.4147 0.7800 0.7800 1.3350 1.3350 1.3362 1.3362 2.0443 2.0443 2.0455 2.0455 2.3226 2.3226 2.5989 2.5989 3.1644 3.1644 3.1747 3.1747 3.5981 3.5981 3.9149 3.9149 3.9534 3.9534 4.2584 4.2584 4.5154 4.5154 4.5804 4.5804 4.6421 4.6421 4.6465 4.6465 4.6976 4.6976 4.8910 4.8910 5.1454 5.1454 5.2479 5.2479 5.2599 5.2599 5.3915 5.3915 5.5486 5.5486 5.5576 5.5576 5.9240 5.9240 5.9437 5.9437 6.2202 6.2202 6.2395 6.2395 6.5219 6.5219 6.5315 6.5315 6.5371 6.5371 6.7900 6.7900 6.8291 6.8291 7.4799 7.4799 7.4846 7.4846 7.5122 7.5122 8.2487 8.2487 8.2584 8.2584 8.9172 8.9172 8.9687 8.9687 9.4197 9.4197 9.4237 9.4237 k = 0.3333 0.5774 0.1913 ( 14106 PWs) bands (ev): -33.9702 -33.9702 -33.9671 -33.9671 -15.2421 -15.2421 -15.2311 -15.2311 -14.8738 -14.8738 -14.8668 -14.8668 -14.8638 -14.8638 -14.8256 -14.8256 -1.8274 -1.8274 -1.8274 -1.8274 -0.5279 -0.5279 -0.4955 -0.4955 -0.4951 -0.4951 0.7095 0.7095 1.4514 1.4514 1.4527 1.4527 2.0642 2.0642 2.0654 2.0654 2.3421 2.3421 2.6937 2.6937 3.1122 3.1122 3.1216 3.1216 3.5338 3.5338 3.9208 3.9208 3.9585 3.9585 4.2511 4.2511 4.5548 4.5548 4.5584 4.5584 4.6124 4.6124 4.6395 4.6395 4.6746 4.6746 4.8918 4.8918 5.1432 5.1432 5.3018 5.3018 5.3060 5.3060 5.4227 5.4227 5.5056 5.5056 5.5111 5.5111 5.8766 5.8766 5.9003 5.9003 6.1948 6.1948 6.2183 6.2183 6.4228 6.4228 6.5328 6.5328 6.5423 6.5423 6.7609 6.7609 6.8529 6.8529 7.4717 7.4717 7.4755 7.4755 7.5217 7.5217 8.3222 8.3222 8.3306 8.3306 8.8546 8.8546 9.0235 9.0235 9.3457 9.3457 9.3473 9.3473 k = 0.3333 0.5774 0.2152 ( 14127 PWs) bands (ev): -33.9701 -33.9701 -33.9672 -33.9672 -15.2417 -15.2417 -15.2313 -15.2313 -14.8736 -14.8736 -14.8670 -14.8670 -14.8628 -14.8628 -14.8268 -14.8268 -1.8039 -1.8039 -1.8038 -1.8038 -0.5753 -0.5753 -0.5750 -0.5750 -0.5043 -0.5043 0.6381 0.6381 1.5714 1.5714 1.5729 1.5729 2.0873 2.0873 2.0884 2.0884 2.3642 2.3642 2.7902 2.7902 3.0580 3.0580 3.0666 3.0666 3.4719 3.4719 3.9244 3.9244 3.9608 3.9608 4.2421 4.2421 4.5317 4.5317 4.5582 4.5582 4.5958 4.5958 4.6452 4.6452 4.6503 4.6503 4.8950 4.8950 5.1393 5.1393 5.3060 5.3060 5.3064 5.3064 5.4571 5.4571 5.4964 5.4964 5.5115 5.5115 5.8453 5.8453 5.8706 5.8706 6.1700 6.1700 6.1978 6.1978 6.3153 6.3153 6.5369 6.5369 6.5471 6.5471 6.6980 6.6980 6.9119 6.9119 7.4641 7.4641 7.4670 7.4670 7.5337 7.5337 8.3980 8.3980 8.4049 8.4049 8.7894 8.7894 9.0889 9.0889 9.2425 9.2425 9.2437 9.2437 k = 0.3333 0.5774 0.2391 ( 14118 PWs) bands (ev): -33.9700 -33.9700 -33.9673 -33.9673 -15.2413 -15.2413 -15.2316 -15.2316 -14.8734 -14.8734 -14.8672 -14.8672 -14.8616 -14.8616 -14.8282 -14.8282 -1.7776 -1.7776 -1.7776 -1.7776 -0.6539 -0.6539 -0.6536 -0.6536 -0.4781 -0.4781 0.5666 0.5666 1.6938 1.6938 1.6955 1.6955 2.1138 2.1138 2.1148 2.1148 2.3888 2.3888 2.8853 2.8853 3.0025 3.0025 3.0106 3.0106 3.4146 3.4146 3.9239 3.9239 3.9583 3.9583 4.2313 4.2313 4.4983 4.4983 4.5141 4.5141 4.5980 4.5980 4.6267 4.6267 4.6686 4.6686 4.9010 4.9010 5.1338 5.1338 5.2524 5.2524 5.2578 5.2578 5.4938 5.4938 5.5460 5.5460 5.5596 5.5596 5.8258 5.8258 5.8504 5.8504 6.1463 6.1463 6.1786 6.1786 6.2039 6.2039 6.5401 6.5401 6.5515 6.5515 6.6309 6.6309 6.9787 6.9787 7.4575 7.4575 7.4595 7.4595 7.5491 7.5491 8.4709 8.4709 8.4761 8.4761 8.7228 8.7228 9.1457 9.1457 9.1460 9.1460 9.1562 9.1562 k = 0.3333 0.5774 0.2630 ( 14100 PWs) bands (ev): -33.9699 -33.9699 -33.9674 -33.9674 -15.2408 -15.2408 -15.2320 -15.2320 -14.8731 -14.8731 -14.8674 -14.8674 -14.8602 -14.8602 -14.8296 -14.8296 -1.7488 -1.7488 -1.7487 -1.7487 -0.7308 -0.7308 -0.7305 -0.7305 -0.4492 -0.4492 0.4957 0.4957 1.8169 1.8169 1.8190 1.8190 2.1449 2.1449 2.1455 2.1455 2.4159 2.4159 2.9465 2.9465 2.9519 2.9519 2.9757 2.9757 3.3669 3.3669 3.9167 3.9167 3.9477 3.9477 4.2183 4.2183 4.4582 4.4582 4.4602 4.4602 4.5921 4.5921 4.6049 4.6049 4.7000 4.7000 4.9099 4.9099 5.1255 5.1255 5.1830 5.1830 5.1979 5.1979 5.5311 5.5311 5.6156 5.6156 5.6266 5.6266 5.8146 5.8146 5.8373 5.8373 6.0896 6.0896 6.1245 6.1245 6.1610 6.1610 6.5355 6.5355 6.5556 6.5556 6.5689 6.5689 7.0521 7.0521 7.4522 7.4522 7.4531 7.4531 7.5684 7.5684 8.5310 8.5310 8.5340 8.5340 8.6559 8.6559 9.0673 9.0673 9.0679 9.0679 9.1970 9.1970 k = 0.3333 0.5774 0.2870 ( 14115 PWs) bands (ev): -33.9698 -33.9698 -33.9676 -33.9676 -15.2403 -15.2403 -15.2323 -15.2323 -14.8729 -14.8729 -14.8677 -14.8677 -14.8589 -14.8589 -14.8311 -14.8311 -1.7173 -1.7173 -1.7173 -1.7173 -0.8057 -0.8057 -0.8054 -0.8054 -0.4176 -0.4176 0.4258 0.4258 1.9379 1.9379 1.9405 1.9405 2.1830 2.1830 2.1830 2.1830 2.4455 2.4455 2.8906 2.8906 2.8969 2.8969 3.0429 3.0429 3.3407 3.3407 3.8986 3.8986 3.9245 3.9245 4.2026 4.2026 4.4033 4.4033 4.4147 4.4147 4.5826 4.5826 4.5854 4.5854 4.7316 4.7316 4.9218 4.9218 5.1081 5.1081 5.1174 5.1174 5.1499 5.1499 5.5696 5.5696 5.6870 5.6870 5.6957 5.6957 5.8109 5.8109 5.8309 5.8309 5.9740 5.9740 6.1049 6.1049 6.1454 6.1454 6.4817 6.4817 6.5550 6.5550 6.5592 6.5592 7.1314 7.1314 7.4482 7.4482 7.4485 7.4485 7.5914 7.5914 8.5601 8.5601 8.5603 8.5603 8.5895 8.5895 9.0257 9.0257 9.0280 9.0280 9.1642 9.1642 k = 0.3333 0.5774 0.3109 ( 14121 PWs) bands (ev): -33.9697 -33.9697 -33.9677 -33.9677 -15.2399 -15.2399 -15.2327 -15.2327 -14.8726 -14.8726 -14.8680 -14.8680 -14.8574 -14.8574 -14.8327 -14.8327 -1.6835 -1.6835 -1.6834 -1.6834 -0.8783 -0.8783 -0.8780 -0.8780 -0.3834 -0.3834 0.3571 0.3571 2.0495 2.0495 2.0531 2.0531 2.2336 2.2336 2.2344 2.2344 2.4775 2.4775 2.8353 2.8353 2.8412 2.8412 3.0697 3.0697 3.3572 3.3572 3.8637 3.8637 3.8831 3.8831 4.1840 4.1840 4.3499 4.3499 4.3744 4.3744 4.5676 4.5676 4.5715 4.5715 4.7620 4.7620 4.9359 4.9359 5.0608 5.0608 5.0736 5.0736 5.1279 5.1279 5.6093 5.6093 5.7477 5.7477 5.7530 5.7530 5.8212 5.8212 5.8373 5.8373 5.8584 5.8584 6.0887 6.0887 6.1320 6.1320 6.4121 6.4121 6.5569 6.5569 6.5624 6.5624 7.2158 7.2158 7.4452 7.4452 7.4468 7.4468 7.6177 7.6177 8.5248 8.5248 8.5397 8.5397 8.5421 8.5421 9.0388 9.0388 9.0427 9.0427 9.0663 9.0663 k = 0.3333 0.5774 0.3348 ( 14142 PWs) bands (ev): -33.9696 -33.9696 -33.9678 -33.9678 -15.2393 -15.2393 -15.2332 -15.2332 -14.8723 -14.8723 -14.8683 -14.8683 -14.8559 -14.8559 -14.8344 -14.8344 -1.6473 -1.6473 -1.6472 -1.6472 -0.9483 -0.9483 -0.9479 -0.9479 -0.3465 -0.3465 0.2900 0.2900 2.1390 2.1390 2.1433 2.1433 2.3098 2.3098 2.3113 2.3113 2.5119 2.5119 2.7814 2.7814 2.7871 2.7871 3.0525 3.0525 3.4179 3.4179 3.8071 3.8071 3.8197 3.8197 4.1621 4.1621 4.3064 4.3064 4.3433 4.3433 4.5511 4.5511 4.5595 4.5595 4.7912 4.7912 4.9503 4.9503 5.0146 5.0146 5.0407 5.0407 5.1162 5.1162 5.6496 5.6496 5.7447 5.7447 5.7767 5.7767 5.7777 5.7777 5.8617 5.8617 5.8735 5.8735 6.0769 6.0769 6.1211 6.1211 6.3424 6.3424 6.5597 6.5597 6.5651 6.5651 7.3044 7.3044 7.4443 7.4443 7.4473 7.4473 7.6466 7.6466 8.4629 8.4629 8.4821 8.4821 8.4861 8.4861 8.9456 8.9456 9.0991 9.0991 9.1033 9.1033 k = 0.3333 0.5774 0.3587 ( 14151 PWs) bands (ev): -33.9694 -33.9694 -33.9680 -33.9680 -15.2388 -15.2388 -15.2336 -15.2336 -14.8720 -14.8720 -14.8686 -14.8686 -14.8543 -14.8543 -14.8362 -14.8362 -1.6092 -1.6092 -1.6091 -1.6091 -1.0151 -1.0151 -1.0148 -1.0148 -0.3069 -0.3069 0.2247 0.2247 2.2023 2.2023 2.2064 2.2064 2.4146 2.4146 2.4160 2.4160 2.5487 2.5487 2.7306 2.7306 2.7359 2.7359 3.0128 3.0128 3.4999 3.4999 3.7275 3.7275 3.7345 3.7345 4.1363 4.1363 4.2762 4.2762 4.3239 4.3239 4.5355 4.5355 4.5474 4.5474 4.8198 4.8198 4.9592 4.9592 4.9781 4.9781 5.0232 5.0232 5.1060 5.1060 5.6311 5.6311 5.6932 5.6932 5.7820 5.7820 5.7852 5.7852 5.9119 5.9119 5.9284 5.9284 6.0723 6.0723 6.1132 6.1132 6.2742 6.2742 6.5624 6.5624 6.5672 6.5672 7.3957 7.3957 7.4457 7.4457 7.4501 7.4501 7.6772 7.6772 8.4052 8.4052 8.4089 8.4089 8.4139 8.4139 8.8197 8.8197 9.1858 9.1858 9.1898 9.1898 k = 0.3333 0.5774 0.3826 ( 14130 PWs) bands (ev): -33.9693 -33.9693 -33.9681 -33.9681 -15.2383 -15.2383 -15.2341 -15.2341 -14.8717 -14.8717 -14.8689 -14.8689 -14.8525 -14.8525 -14.8380 -14.8380 -1.5696 -1.5696 -1.5695 -1.5695 -1.0784 -1.0784 -1.0780 -1.0780 -0.2648 -0.2648 0.1613 0.1613 2.2512 2.2512 2.2550 2.2550 2.5288 2.5288 2.5297 2.5297 2.5878 2.5878 2.6891 2.6891 2.6941 2.6941 2.9650 2.9650 3.5840 3.5840 3.6314 3.6314 3.6321 3.6321 4.1055 4.1055 4.2583 4.2583 4.3146 4.3146 4.5211 4.5211 4.5357 4.5357 4.8476 4.8476 4.9502 4.9502 4.9570 4.9570 5.0277 5.0277 5.0962 5.0962 5.5264 5.5264 5.7299 5.7299 5.7815 5.7815 5.7941 5.7941 5.9500 5.9500 5.9804 5.9804 6.0790 6.0790 6.1094 6.1094 6.2081 6.2081 6.5648 6.5648 6.5688 6.5688 7.4488 7.4488 7.4551 7.4551 7.4880 7.4880 7.7081 7.7081 8.3346 8.3346 8.3404 8.3404 8.3540 8.3540 8.6952 8.6952 9.2850 9.2850 9.2886 9.2886 k = 0.3333 0.5774 0.4065 ( 14124 PWs) bands (ev): -33.9691 -33.9691 -33.9682 -33.9682 -15.2377 -15.2377 -15.2345 -15.2345 -14.8713 -14.8713 -14.8693 -14.8693 -14.8508 -14.8508 -14.8398 -14.8398 -1.5295 -1.5295 -1.5294 -1.5294 -1.1369 -1.1369 -1.1365 -1.1365 -0.2200 -0.2200 0.0999 0.0999 2.2942 2.2942 2.2978 2.2978 2.5890 2.5890 2.5913 2.5913 2.6290 2.6290 2.7111 2.7111 2.7130 2.7130 2.9146 2.9146 3.5120 3.5120 3.5161 3.5161 3.6785 3.6785 4.0684 4.0684 4.2492 4.2492 4.3121 4.3121 4.5083 4.5083 4.5253 4.5253 4.8726 4.8726 4.9297 4.9297 4.9522 4.9522 5.0439 5.0439 5.0899 5.0899 5.4276 5.4276 5.7549 5.7549 5.7799 5.7799 5.8167 5.8167 5.9695 5.9695 6.0202 6.0202 6.0978 6.0978 6.1117 6.1117 6.1449 6.1449 6.5667 6.5667 6.5698 6.5698 7.4539 7.4539 7.4616 7.4616 7.5768 7.5768 7.7369 7.7369 8.2680 8.2680 8.2746 8.2746 8.3126 8.3126 8.5766 8.5766 9.3881 9.3881 9.3913 9.3913 k = 0.3333 0.5774 0.4304 ( 14091 PWs) bands (ev): -33.9690 -33.9690 -33.9684 -33.9684 -15.2371 -15.2371 -15.2350 -15.2350 -14.8710 -14.8710 -14.8696 -14.8696 -14.8490 -14.8490 -14.8416 -14.8416 -1.4913 -1.4913 -1.4911 -1.4911 -1.1883 -1.1883 -1.1878 -1.1878 -0.1728 -0.1728 0.0407 0.0407 2.3335 2.3335 2.3369 2.3369 2.5626 2.5626 2.5666 2.5666 2.6721 2.6721 2.8238 2.8238 2.8245 2.8245 2.8639 2.8639 3.3918 3.3918 3.3944 3.3944 3.7614 3.7614 4.0239 4.0239 4.2454 4.2454 4.3132 4.3132 4.4979 4.4979 4.5170 4.5170 4.8898 4.8898 4.9157 4.9157 4.9555 4.9555 5.0513 5.0513 5.1014 5.1014 5.3377 5.3377 5.7647 5.7647 5.7784 5.7784 5.8561 5.8561 5.9754 5.9754 6.0430 6.0430 6.0845 6.0845 6.1213 6.1213 6.1215 6.1215 6.5680 6.5680 6.5704 6.5704 7.4592 7.4592 7.4683 7.4683 7.6568 7.6568 7.7600 7.7600 8.2153 8.2153 8.2227 8.2227 8.2868 8.2868 8.4687 8.4687 9.4867 9.4867 9.4898 9.4898 k = 0.3333 0.5774 0.4543 ( 14100 PWs) bands (ev): -33.9688 -33.9688 -33.9685 -33.9685 -15.2366 -15.2366 -15.2356 -15.2356 -14.8706 -14.8706 -14.8699 -14.8699 -14.8471 -14.8471 -14.8435 -14.8435 -1.4604 -1.4604 -1.4601 -1.4601 -1.2273 -1.2273 -1.2267 -1.2267 -0.1230 -0.1230 -0.0162 -0.0162 2.3661 2.3661 2.3693 2.3693 2.5300 2.5300 2.5342 2.5342 2.7172 2.7172 2.8139 2.8139 2.9442 2.9442 2.9452 2.9452 3.2732 3.2732 3.2755 3.2755 3.8380 3.8380 3.9716 3.9716 4.2442 4.2442 4.3150 4.3150 4.4910 4.4910 4.5117 4.5117 4.8965 4.8965 4.9076 4.9076 4.9668 4.9668 5.0448 5.0448 5.1376 5.1376 5.2589 5.2589 5.7679 5.7679 5.7775 5.7775 5.9026 5.9026 5.9726 5.9726 6.0325 6.0325 6.0521 6.0521 6.1329 6.1329 6.1381 6.1381 6.5689 6.5689 6.5707 6.5707 7.4634 7.4634 7.4734 7.4734 7.7188 7.7188 7.7716 7.7716 8.1814 8.1814 8.1892 8.1892 8.2848 8.2848 8.3785 8.3785 9.5663 9.5663 9.5694 9.5694 k = 0.3333 0.5774 0.4783 ( 14112 PWs) bands (ev): -33.9687 -33.9687 -33.9687 -33.9687 -15.2361 -15.2361 -15.2361 -15.2361 -14.8703 -14.8703 -14.8703 -14.8703 -14.8453 -14.8453 -14.8453 -14.8453 -1.4475 -1.4475 -1.4471 -1.4471 -1.2429 -1.2429 -1.2423 -1.2423 -0.0722 -0.0722 -0.0694 -0.0694 2.3806 2.3806 2.3837 2.3837 2.5149 2.5149 2.5193 2.5193 2.7587 2.7587 2.7708 2.7708 3.0155 3.0155 3.0173 3.0173 3.2020 3.2020 3.2050 3.2050 3.8960 3.8960 3.9219 3.9219 4.2439 4.2439 4.3159 4.3159 4.4886 4.4886 4.5098 4.5098 4.8978 4.8978 4.9049 4.9049 4.9736 4.9736 5.0401 5.0401 5.1808 5.1808 5.2017 5.2017 5.7687 5.7687 5.7771 5.7771 5.9437 5.9437 5.9527 5.9527 6.0083 6.0083 6.0542 6.0542 6.1377 6.1377 6.1443 6.1443 6.5691 6.5691 6.5708 6.5708 7.4650 7.4650 7.4753 7.4753 7.7478 7.7478 7.7700 7.7700 8.1696 8.1696 8.1777 8.1777 8.3148 8.3148 8.3149 8.3149 9.5995 9.5995 9.6027 9.6027 Writing output data file CaAl9Ni.save init_run : 2.42s CPU 1.71s WALL ( 1 calls) electrons : 1371.67s CPU 1266.10s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.17s WALL ( 1 calls) potinit : 0.18s CPU 0.19s WALL ( 1 calls) Called by electrons: c_bands : 1371.66s CPU 1266.10s WALL ( 1 calls) v_of_rho : 0.03s CPU 0.01s WALL ( 1 calls) v_h : 0.01s CPU 0.00s WALL ( 1 calls) v_xc : 0.02s CPU 0.01s WALL ( 1 calls) newd : 1.06s CPU 0.63s WALL ( 1 calls) Called by c_bands: init_us_2 : 1.16s CPU 0.78s WALL ( 201 calls) cegterg : 1209.98s CPU 1152.33s WALL ( 624 calls) Called by sum_band: Called by *egterg: h_psi : 690.46s CPU 578.05s WALL ( 11489 calls) s_psi : 138.08s CPU 138.68s WALL ( 11489 calls) g_psi : 1.66s CPU 1.97s WALL ( 10664 calls) cdiaghg : 308.54s CPU 312.12s WALL ( 10865 calls) cegterg:over : 73.57s CPU 73.61s WALL ( 10664 calls) cegterg:upda : 67.88s CPU 69.28s WALL ( 10664 calls) cegterg:last : 36.81s CPU 36.88s WALL ( 1461 calls) cdiaghg:chol : 18.46s CPU 18.92s WALL ( 10865 calls) cdiaghg:inve : 13.89s CPU 14.19s WALL ( 10865 calls) cdiaghg:para : 25.64s CPU 26.09s WALL ( 21730 calls) Called by h_psi: h_psi:vloc : 387.32s CPU 292.80s WALL ( 11489 calls) h_psi:vnl : 299.94s CPU 282.12s WALL ( 11489 calls) add_vuspsi : 154.53s CPU 148.30s WALL ( 11489 calls) General routines calbec : 145.31s CPU 133.77s WALL ( 11489 calls) fft : 0.04s CPU 0.03s WALL ( 19 calls) ffts : 0.02s CPU 0.01s WALL ( 4 calls) fftw : 353.04s CPU 259.74s WALL ( 1993988 calls) interpolate : 0.02s CPU 0.01s WALL ( 4 calls) davcio : 0.57s CPU 3.23s WALL ( 402 calls) Parallel routines fft_scatter : 148.43s CPU 139.29s WALL ( 1994011 calls) PWSCF : 23m42.84s CPU 22m23.11s WALL This run was terminated on: 19: 8:11 3Aug2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=