Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 18: 8:44 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./FeGe.save/ file Fe.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 k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 41 31 9 1019 687 111 Max 42 32 10 1022 704 114 Sum 1483 1135 337 36739 25059 4027 bravais-lattice index = 14 lattice parameter (alat) = 9.4543 a.u. unit-cell volume = 593.1698 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 2 number of electrons = 36.00 number of Kohn-Sham states= 44 kinetic-energy cutoff = 46.0000 Ry charge density cutoff = 238.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 9.454299 celldm(2)= 1.000000 celldm(3)= 0.810514 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.500000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.500000 0.866025 0.000000 ) a(3) = ( 0.000000 0.000000 0.810514 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.577350 -0.000000 ) b(2) = ( 0.000000 1.154701 -0.000000 ) b(3) = ( 0.000000 0.000000 1.233785 ) PseudoPot. # 1 for Ge read from file: /users/gautes/Pseudo/Ge.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 069ab8842bb693aa9ce6e533f48e0b78 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1207 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Fe read from file: /users/gautes/Pseudo/Fe.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 1f786298b0c3f78d6037ec413201e537 Pseudo is Ultrasoft + core correction, Zval = 8.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1191 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 Ge 4.00 72.64000 Ge( 1.00) Fe 8.00 55.84500 Fe( 1.00) 24 Sym. Ops., with inversion, found 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 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 3 180 deg rotation - cart. axis [0,1,0] cryst. s( 3) = ( -1 0 0 ) ( 1 1 0 ) ( 0 0 -1 ) cart. s( 3) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) 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 ) ( -1 0 0 ) ( 0 0 1 ) cart. s( 5) = ( 0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 6 60 deg rotation - cryst. axis [0,0,-1] cryst. s( 6) = ( 0 -1 0 ) ( 1 1 0 ) ( 0 0 1 ) cart. s( 6) = ( 0.5000000 0.8660254 -0.0000000 ) ( -0.8660254 0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) 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 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s( 9) = ( 0.5000000 -0.8660254 -0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 10 180 deg rotation - cryst. axis [2,1,0] cryst. s(10) = ( 1 1 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s(10) = ( 0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) 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 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s(14) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 15 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s(15) = ( 1 0 0 ) ( -1 -1 0 ) ( 0 0 1 ) cart. s(15) = ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) 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 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s(17) = ( -0.5000000 0.8660254 -0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 18 inv. 60 deg rotation - cryst. axis [0,0,-1] cryst. s(18) = ( 0 1 0 ) ( -1 -1 0 ) ( 0 0 -1 ) cart. s(18) = ( -0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) 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 ) ( 1 0 0 ) ( 0 0 1 ) cart. s(21) = ( -0.5000000 0.8660254 0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 22 inv. 180 deg rotation - cryst. axis [2,1,0] cryst. s(22) = ( -1 -1 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s(22) = ( -0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) 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= 326 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030675 k( 2) = ( 0.0135135 0.0078020 -0.0000000), wk = 0.0030675 k( 3) = ( 0.0270270 0.0156041 -0.0000000), wk = 0.0030675 k( 4) = ( 0.0405405 0.0234061 -0.0000000), wk = 0.0030675 k( 5) = ( 0.0540540 0.0312081 -0.0000000), wk = 0.0030675 k( 6) = ( 0.0675676 0.0390102 -0.0000000), wk = 0.0030675 k( 7) = ( 0.0810811 0.0468122 -0.0000000), wk = 0.0030675 k( 8) = ( 0.0945946 0.0546142 -0.0000000), wk = 0.0030675 k( 9) = ( 0.1081081 0.0624162 -0.0000000), wk = 0.0030675 k( 10) = ( 0.1216216 0.0702183 -0.0000000), wk = 0.0030675 k( 11) = ( 0.1351351 0.0780203 -0.0000000), wk = 0.0030675 k( 12) = ( 0.1486486 0.0858223 -0.0000000), wk = 0.0030675 k( 13) = ( 0.1621622 0.0936244 -0.0000000), wk = 0.0030675 k( 14) = ( 0.1756757 0.1014264 -0.0000000), wk = 0.0030675 k( 15) = ( 0.1891892 0.1092284 -0.0000000), wk = 0.0030675 k( 16) = ( 0.2027027 0.1170305 -0.0000000), wk = 0.0030675 k( 17) = ( 0.2162162 0.1248325 -0.0000000), wk = 0.0030675 k( 18) = ( 0.2297297 0.1326345 -0.0000000), wk = 0.0030675 k( 19) = ( 0.2432432 0.1404366 -0.0000000), wk = 0.0030675 k( 20) = ( 0.2567568 0.1482386 -0.0000000), wk = 0.0030675 k( 21) = ( 0.2702703 0.1560406 -0.0000000), wk = 0.0030675 k( 22) = ( 0.2837838 0.1638426 -0.0000000), wk = 0.0030675 k( 23) = ( 0.2972973 0.1716447 -0.0000000), wk = 0.0030675 k( 24) = ( 0.3108108 0.1794467 -0.0000000), wk = 0.0030675 k( 25) = ( 0.3243243 0.1872487 -0.0000000), wk = 0.0030675 k( 26) = ( 0.3378378 0.1950508 -0.0000000), wk = 0.0030675 k( 27) = ( 0.3513514 0.2028528 -0.0000000), wk = 0.0030675 k( 28) = ( 0.3648649 0.2106548 -0.0000000), wk = 0.0030675 k( 29) = ( 0.3783784 0.2184569 -0.0000000), wk = 0.0030675 k( 30) = ( 0.3918919 0.2262589 -0.0000000), wk = 0.0030675 k( 31) = ( 0.4054054 0.2340609 -0.0000000), wk = 0.0030675 k( 32) = ( 0.4189189 0.2418630 -0.0000000), wk = 0.0030675 k( 33) = ( 0.4324324 0.2496650 -0.0000000), wk = 0.0030675 k( 34) = ( 0.4459459 0.2574670 -0.0000000), wk = 0.0030675 k( 35) = ( 0.4594595 0.2652690 -0.0000000), wk = 0.0030675 k( 36) = ( 0.4729730 0.2730711 -0.0000000), wk = 0.0030675 k( 37) = ( 0.4864865 0.2808731 -0.0000000), wk = 0.0030675 k( 38) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0030675 k( 39) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0030675 k( 40) = ( 0.4920635 0.3024216 -0.0000000), wk = 0.0030675 k( 41) = ( 0.4841270 0.3161680 -0.0000000), wk = 0.0030675 k( 42) = ( 0.4761905 0.3299144 -0.0000000), wk = 0.0030675 k( 43) = ( 0.4682540 0.3436609 -0.0000000), wk = 0.0030675 k( 44) = ( 0.4603175 0.3574073 -0.0000000), wk = 0.0030675 k( 45) = ( 0.4523810 0.3711537 -0.0000000), wk = 0.0030675 k( 46) = ( 0.4444444 0.3849002 -0.0000000), wk = 0.0030675 k( 47) = ( 0.4365079 0.3986466 -0.0000000), wk = 0.0030675 k( 48) = ( 0.4285714 0.4123930 -0.0000000), wk = 0.0030675 k( 49) = ( 0.4206349 0.4261395 -0.0000000), wk = 0.0030675 k( 50) = ( 0.4126984 0.4398859 -0.0000000), wk = 0.0030675 k( 51) = ( 0.4047619 0.4536324 -0.0000000), wk = 0.0030675 k( 52) = ( 0.3968254 0.4673788 -0.0000000), wk = 0.0030675 k( 53) = ( 0.3888889 0.4811252 -0.0000000), wk = 0.0030675 k( 54) = ( 0.3809524 0.4948717 -0.0000000), wk = 0.0030675 k( 55) = ( 0.3730159 0.5086181 -0.0000000), wk = 0.0030675 k( 56) = ( 0.3650794 0.5223645 -0.0000000), wk = 0.0030675 k( 57) = ( 0.3571429 0.5361110 -0.0000000), wk = 0.0030675 k( 58) = ( 0.3492063 0.5498574 -0.0000000), wk = 0.0030675 k( 59) = ( 0.3412698 0.5636038 -0.0000000), wk = 0.0030675 k( 60) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0030675 k( 61) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0030675 k( 62) = ( 0.3253968 0.5636038 -0.0000000), wk = 0.0030675 k( 63) = ( 0.3174603 0.5498574 -0.0000000), wk = 0.0030675 k( 64) = ( 0.3095238 0.5361110 -0.0000000), wk = 0.0030675 k( 65) = ( 0.3015873 0.5223645 -0.0000000), wk = 0.0030675 k( 66) = ( 0.2936508 0.5086181 -0.0000000), wk = 0.0030675 k( 67) = ( 0.2857143 0.4948717 -0.0000000), wk = 0.0030675 k( 68) = ( 0.2777778 0.4811252 -0.0000000), wk = 0.0030675 k( 69) = ( 0.2698413 0.4673788 -0.0000000), wk = 0.0030675 k( 70) = ( 0.2619048 0.4536324 -0.0000000), wk = 0.0030675 k( 71) = ( 0.2539683 0.4398859 -0.0000000), wk = 0.0030675 k( 72) = ( 0.2460317 0.4261395 -0.0000000), wk = 0.0030675 k( 73) = ( 0.2380952 0.4123931 -0.0000000), wk = 0.0030675 k( 74) = ( 0.2301587 0.3986466 -0.0000000), wk = 0.0030675 k( 75) = ( 0.2222222 0.3849002 -0.0000000), wk = 0.0030675 k( 76) = ( 0.2142857 0.3711537 -0.0000000), wk = 0.0030675 k( 77) = ( 0.2063492 0.3574073 -0.0000000), wk = 0.0030675 k( 78) = ( 0.1984127 0.3436609 -0.0000000), wk = 0.0030675 k( 79) = ( 0.1904762 0.3299144 -0.0000000), wk = 0.0030675 k( 80) = ( 0.1825397 0.3161680 -0.0000000), wk = 0.0030675 k( 81) = ( 0.1746032 0.3024216 -0.0000000), wk = 0.0030675 k( 82) = ( 0.1666667 0.2886751 -0.0000000), wk = 0.0030675 k( 83) = ( 0.1587302 0.2749287 -0.0000000), wk = 0.0030675 k( 84) = ( 0.1507937 0.2611823 -0.0000000), wk = 0.0030675 k( 85) = ( 0.1428571 0.2474358 -0.0000000), wk = 0.0030675 k( 86) = ( 0.1349206 0.2336894 -0.0000000), wk = 0.0030675 k( 87) = ( 0.1269841 0.2199430 -0.0000000), wk = 0.0030675 k( 88) = ( 0.1190476 0.2061965 -0.0000000), wk = 0.0030675 k( 89) = ( 0.1111111 0.1924501 -0.0000000), wk = 0.0030675 k( 90) = ( 0.1031746 0.1787036 -0.0000000), wk = 0.0030675 k( 91) = ( 0.0952381 0.1649572 -0.0000000), wk = 0.0030675 k( 92) = ( 0.0873016 0.1512108 -0.0000000), wk = 0.0030675 k( 93) = ( 0.0793651 0.1374644 -0.0000000), wk = 0.0030675 k( 94) = ( 0.0714286 0.1237179 -0.0000000), wk = 0.0030675 k( 95) = ( 0.0634921 0.1099715 -0.0000000), wk = 0.0030675 k( 96) = ( 0.0555556 0.0962251 -0.0000000), wk = 0.0030675 k( 97) = ( 0.0476191 0.0824786 -0.0000000), wk = 0.0030675 k( 98) = ( 0.0396825 0.0687322 -0.0000000), wk = 0.0030675 k( 99) = ( 0.0317460 0.0549857 -0.0000000), wk = 0.0030675 k( 100) = ( 0.0238095 0.0412393 -0.0000000), wk = 0.0030675 k( 101) = ( 0.0158730 0.0274929 -0.0000000), wk = 0.0030675 k( 102) = ( 0.0079365 0.0137464 -0.0000000), wk = 0.0030675 k( 103) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030675 k( 104) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030675 k( 105) = ( 0.0000000 0.0000000 0.0158178), wk = 0.0030675 k( 106) = ( 0.0000000 0.0000000 0.0316355), wk = 0.0030675 k( 107) = ( 0.0000000 0.0000000 0.0474533), wk = 0.0030675 k( 108) = ( 0.0000000 0.0000000 0.0632710), wk = 0.0030675 k( 109) = ( 0.0000000 0.0000000 0.0790888), wk = 0.0030675 k( 110) = ( 0.0000000 0.0000000 0.0949066), wk = 0.0030675 k( 111) = ( 0.0000000 0.0000000 0.1107243), wk = 0.0030675 k( 112) = ( 0.0000000 0.0000000 0.1265421), wk = 0.0030675 k( 113) = ( 0.0000000 0.0000000 0.1423599), wk = 0.0030675 k( 114) = ( 0.0000000 0.0000000 0.1581776), wk = 0.0030675 k( 115) = ( 0.0000000 0.0000000 0.1739954), wk = 0.0030675 k( 116) = ( 0.0000000 0.0000000 0.1898131), wk = 0.0030675 k( 117) = ( 0.0000000 0.0000000 0.2056309), wk = 0.0030675 k( 118) = ( 0.0000000 0.0000000 0.2214487), wk = 0.0030675 k( 119) = ( 0.0000000 0.0000000 0.2372664), wk = 0.0030675 k( 120) = ( 0.0000000 0.0000000 0.2530842), wk = 0.0030675 k( 121) = ( 0.0000000 0.0000000 0.2689020), wk = 0.0030675 k( 122) = ( 0.0000000 0.0000000 0.2847197), wk = 0.0030675 k( 123) = ( 0.0000000 0.0000000 0.3005375), wk = 0.0030675 k( 124) = ( 0.0000000 0.0000000 0.3163552), wk = 0.0030675 k( 125) = ( 0.0000000 0.0000000 0.3321730), wk = 0.0030675 k( 126) = ( 0.0000000 0.0000000 0.3479908), wk = 0.0030675 k( 127) = ( 0.0000000 0.0000000 0.3638085), wk = 0.0030675 k( 128) = ( 0.0000000 0.0000000 0.3796263), wk = 0.0030675 k( 129) = ( 0.0000000 0.0000000 0.3954441), wk = 0.0030675 k( 130) = ( 0.0000000 0.0000000 0.4112618), wk = 0.0030675 k( 131) = ( 0.0000000 0.0000000 0.4270796), wk = 0.0030675 k( 132) = ( 0.0000000 0.0000000 0.4428973), wk = 0.0030675 k( 133) = ( 0.0000000 0.0000000 0.4587151), wk = 0.0030675 k( 134) = ( 0.0000000 0.0000000 0.4745329), wk = 0.0030675 k( 135) = ( 0.0000000 0.0000000 0.4903506), wk = 0.0030675 k( 136) = ( 0.0000000 0.0000000 0.5061684), wk = 0.0030675 k( 137) = ( 0.0000000 0.0000000 0.5219861), wk = 0.0030675 k( 138) = ( 0.0000000 0.0000000 0.5378039), wk = 0.0030675 k( 139) = ( 0.0000000 0.0000000 0.5536217), wk = 0.0030675 k( 140) = ( 0.0000000 0.0000000 0.5694394), wk = 0.0030675 k( 141) = ( 0.0000000 0.0000000 0.5852572), wk = 0.0030675 k( 142) = ( 0.0000000 0.0000000 0.6010750), wk = 0.0030675 k( 143) = ( 0.0000000 0.0000000 0.6168927), wk = 0.0030675 k( 144) = ( 0.0000000 0.0000000 0.6168927), wk = 0.0030675 k( 145) = ( 0.0135135 0.0078020 0.6168927), wk = 0.0030675 k( 146) = ( 0.0270270 0.0156041 0.6168927), wk = 0.0030675 k( 147) = ( 0.0405405 0.0234061 0.6168927), wk = 0.0030675 k( 148) = ( 0.0540540 0.0312081 0.6168927), wk = 0.0030675 k( 149) = ( 0.0675676 0.0390102 0.6168927), wk = 0.0030675 k( 150) = ( 0.0810811 0.0468122 0.6168927), wk = 0.0030675 k( 151) = ( 0.0945946 0.0546142 0.6168927), wk = 0.0030675 k( 152) = ( 0.1081081 0.0624162 0.6168927), wk = 0.0030675 k( 153) = ( 0.1216216 0.0702183 0.6168927), wk = 0.0030675 k( 154) = ( 0.1351351 0.0780203 0.6168927), wk = 0.0030675 k( 155) = ( 0.1486486 0.0858223 0.6168927), wk = 0.0030675 k( 156) = ( 0.1621622 0.0936244 0.6168927), wk = 0.0030675 k( 157) = ( 0.1756757 0.1014264 0.6168927), wk = 0.0030675 k( 158) = ( 0.1891892 0.1092284 0.6168927), wk = 0.0030675 k( 159) = ( 0.2027027 0.1170305 0.6168927), wk = 0.0030675 k( 160) = ( 0.2162162 0.1248325 0.6168927), wk = 0.0030675 k( 161) = ( 0.2297297 0.1326345 0.6168927), wk = 0.0030675 k( 162) = ( 0.2432432 0.1404366 0.6168927), wk = 0.0030675 k( 163) = ( 0.2567568 0.1482386 0.6168927), wk = 0.0030675 k( 164) = ( 0.2702703 0.1560406 0.6168927), wk = 0.0030675 k( 165) = ( 0.2837838 0.1638426 0.6168927), wk = 0.0030675 k( 166) = ( 0.2972973 0.1716447 0.6168927), wk = 0.0030675 k( 167) = ( 0.3108108 0.1794467 0.6168927), wk = 0.0030675 k( 168) = ( 0.3243243 0.1872487 0.6168927), wk = 0.0030675 k( 169) = ( 0.3378378 0.1950508 0.6168927), wk = 0.0030675 k( 170) = ( 0.3513514 0.2028528 0.6168927), wk = 0.0030675 k( 171) = ( 0.3648649 0.2106548 0.6168927), wk = 0.0030675 k( 172) = ( 0.3783784 0.2184569 0.6168927), wk = 0.0030675 k( 173) = ( 0.3918919 0.2262589 0.6168927), wk = 0.0030675 k( 174) = ( 0.4054054 0.2340609 0.6168927), wk = 0.0030675 k( 175) = ( 0.4189189 0.2418630 0.6168927), wk = 0.0030675 k( 176) = ( 0.4324324 0.2496650 0.6168927), wk = 0.0030675 k( 177) = ( 0.4459459 0.2574670 0.6168927), wk = 0.0030675 k( 178) = ( 0.4594595 0.2652690 0.6168927), wk = 0.0030675 k( 179) = ( 0.4729730 0.2730711 0.6168927), wk = 0.0030675 k( 180) = ( 0.4864865 0.2808731 0.6168927), wk = 0.0030675 k( 181) = ( 0.5000000 0.2886751 0.6168927), wk = 0.0030675 k( 182) = ( 0.5000000 0.2886751 0.6168927), wk = 0.0030675 k( 183) = ( 0.4920635 0.3024216 0.6168927), wk = 0.0030675 k( 184) = ( 0.4841270 0.3161680 0.6168927), wk = 0.0030675 k( 185) = ( 0.4761905 0.3299144 0.6168927), wk = 0.0030675 k( 186) = ( 0.4682540 0.3436609 0.6168927), wk = 0.0030675 k( 187) = ( 0.4603175 0.3574073 0.6168927), wk = 0.0030675 k( 188) = ( 0.4523810 0.3711537 0.6168927), wk = 0.0030675 k( 189) = ( 0.4444444 0.3849002 0.6168927), wk = 0.0030675 k( 190) = ( 0.4365079 0.3986466 0.6168927), wk = 0.0030675 k( 191) = ( 0.4285714 0.4123930 0.6168927), wk = 0.0030675 k( 192) = ( 0.4206349 0.4261395 0.6168927), wk = 0.0030675 k( 193) = ( 0.4126984 0.4398859 0.6168927), wk = 0.0030675 k( 194) = ( 0.4047619 0.4536324 0.6168927), wk = 0.0030675 k( 195) = ( 0.3968254 0.4673788 0.6168927), wk = 0.0030675 k( 196) = ( 0.3888889 0.4811252 0.6168927), wk = 0.0030675 k( 197) = ( 0.3809524 0.4948717 0.6168927), wk = 0.0030675 k( 198) = ( 0.3730159 0.5086181 0.6168927), wk = 0.0030675 k( 199) = ( 0.3650794 0.5223645 0.6168927), wk = 0.0030675 k( 200) = ( 0.3571429 0.5361110 0.6168927), wk = 0.0030675 k( 201) = ( 0.3492063 0.5498574 0.6168927), wk = 0.0030675 k( 202) = ( 0.3412698 0.5636038 0.6168927), wk = 0.0030675 k( 203) = ( 0.3333333 0.5773503 0.6168927), wk = 0.0030675 k( 204) = ( 0.3333333 0.5773503 0.6168927), wk = 0.0030675 k( 205) = ( 0.3253968 0.5636038 0.6168927), wk = 0.0030675 k( 206) = ( 0.3174603 0.5498574 0.6168927), wk = 0.0030675 k( 207) = ( 0.3095238 0.5361110 0.6168927), wk = 0.0030675 k( 208) = ( 0.3015873 0.5223645 0.6168927), wk = 0.0030675 k( 209) = ( 0.2936508 0.5086181 0.6168927), wk = 0.0030675 k( 210) = ( 0.2857143 0.4948717 0.6168927), wk = 0.0030675 k( 211) = ( 0.2777778 0.4811252 0.6168927), wk = 0.0030675 k( 212) = ( 0.2698413 0.4673788 0.6168927), wk = 0.0030675 k( 213) = ( 0.2619048 0.4536324 0.6168927), wk = 0.0030675 k( 214) = ( 0.2539683 0.4398859 0.6168927), wk = 0.0030675 k( 215) = ( 0.2460317 0.4261395 0.6168927), wk = 0.0030675 k( 216) = ( 0.2380952 0.4123931 0.6168927), wk = 0.0030675 k( 217) = ( 0.2301587 0.3986466 0.6168927), wk = 0.0030675 k( 218) = ( 0.2222222 0.3849002 0.6168927), wk = 0.0030675 k( 219) = ( 0.2142857 0.3711537 0.6168927), wk = 0.0030675 k( 220) = ( 0.2063492 0.3574073 0.6168927), wk = 0.0030675 k( 221) = ( 0.1984127 0.3436609 0.6168927), wk = 0.0030675 k( 222) = ( 0.1904762 0.3299144 0.6168927), wk = 0.0030675 k( 223) = ( 0.1825397 0.3161680 0.6168927), wk = 0.0030675 k( 224) = ( 0.1746032 0.3024216 0.6168927), wk = 0.0030675 k( 225) = ( 0.1666667 0.2886751 0.6168927), wk = 0.0030675 k( 226) = ( 0.1587302 0.2749287 0.6168927), wk = 0.0030675 k( 227) = ( 0.1507937 0.2611823 0.6168927), wk = 0.0030675 k( 228) = ( 0.1428571 0.2474358 0.6168927), wk = 0.0030675 k( 229) = ( 0.1349206 0.2336894 0.6168927), wk = 0.0030675 k( 230) = ( 0.1269841 0.2199430 0.6168927), wk = 0.0030675 k( 231) = ( 0.1190476 0.2061965 0.6168927), wk = 0.0030675 k( 232) = ( 0.1111111 0.1924501 0.6168927), wk = 0.0030675 k( 233) = ( 0.1031746 0.1787036 0.6168927), wk = 0.0030675 k( 234) = ( 0.0952381 0.1649572 0.6168927), wk = 0.0030675 k( 235) = ( 0.0873016 0.1512108 0.6168927), wk = 0.0030675 k( 236) = ( 0.0793651 0.1374644 0.6168927), wk = 0.0030675 k( 237) = ( 0.0714286 0.1237179 0.6168927), wk = 0.0030675 k( 238) = ( 0.0634921 0.1099715 0.6168927), wk = 0.0030675 k( 239) = ( 0.0555556 0.0962251 0.6168927), wk = 0.0030675 k( 240) = ( 0.0476191 0.0824786 0.6168927), wk = 0.0030675 k( 241) = ( 0.0396825 0.0687322 0.6168927), wk = 0.0030675 k( 242) = ( 0.0317460 0.0549857 0.6168927), wk = 0.0030675 k( 243) = ( 0.0238095 0.0412393 0.6168927), wk = 0.0030675 k( 244) = ( 0.0158730 0.0274929 0.6168927), wk = 0.0030675 k( 245) = ( 0.0079365 0.0137464 0.6168927), wk = 0.0030675 k( 246) = ( 0.0000000 0.0000000 0.6168927), wk = 0.0030675 k( 247) = ( 0.5000000 0.2886751 0.6168927), wk = 0.0030675 k( 248) = ( 0.5000000 0.2886751 0.6010750), wk = 0.0030675 k( 249) = ( 0.5000000 0.2886751 0.5852572), wk = 0.0030675 k( 250) = ( 0.5000000 0.2886751 0.5694394), wk = 0.0030675 k( 251) = ( 0.5000000 0.2886751 0.5536217), wk = 0.0030675 k( 252) = ( 0.5000000 0.2886751 0.5378039), wk = 0.0030675 k( 253) = ( 0.5000000 0.2886751 0.5219861), wk = 0.0030675 k( 254) = ( 0.5000000 0.2886751 0.5061684), wk = 0.0030675 k( 255) = ( 0.5000000 0.2886751 0.4903506), wk = 0.0030675 k( 256) = ( 0.5000000 0.2886751 0.4745329), wk = 0.0030675 k( 257) = ( 0.5000000 0.2886751 0.4587151), wk = 0.0030675 k( 258) = ( 0.5000000 0.2886751 0.4428973), wk = 0.0030675 k( 259) = ( 0.5000000 0.2886751 0.4270796), wk = 0.0030675 k( 260) = ( 0.5000000 0.2886751 0.4112618), wk = 0.0030675 k( 261) = ( 0.5000000 0.2886751 0.3954441), wk = 0.0030675 k( 262) = ( 0.5000000 0.2886751 0.3796263), wk = 0.0030675 k( 263) = ( 0.5000000 0.2886751 0.3638085), wk = 0.0030675 k( 264) = ( 0.5000000 0.2886751 0.3479908), wk = 0.0030675 k( 265) = ( 0.5000000 0.2886751 0.3321730), wk = 0.0030675 k( 266) = ( 0.5000000 0.2886751 0.3163552), wk = 0.0030675 k( 267) = ( 0.5000000 0.2886751 0.3005375), wk = 0.0030675 k( 268) = ( 0.5000000 0.2886751 0.2847197), wk = 0.0030675 k( 269) = ( 0.5000000 0.2886751 0.2689020), wk = 0.0030675 k( 270) = ( 0.5000000 0.2886751 0.2530842), wk = 0.0030675 k( 271) = ( 0.5000000 0.2886751 0.2372664), wk = 0.0030675 k( 272) = ( 0.5000000 0.2886751 0.2214487), wk = 0.0030675 k( 273) = ( 0.5000000 0.2886751 0.2056309), wk = 0.0030675 k( 274) = ( 0.5000000 0.2886751 0.1898131), wk = 0.0030675 k( 275) = ( 0.5000000 0.2886751 0.1739954), wk = 0.0030675 k( 276) = ( 0.5000000 0.2886751 0.1581776), wk = 0.0030675 k( 277) = ( 0.5000000 0.2886751 0.1423599), wk = 0.0030675 k( 278) = ( 0.5000000 0.2886751 0.1265421), wk = 0.0030675 k( 279) = ( 0.5000000 0.2886751 0.1107243), wk = 0.0030675 k( 280) = ( 0.5000000 0.2886751 0.0949066), wk = 0.0030675 k( 281) = ( 0.5000000 0.2886751 0.0790888), wk = 0.0030675 k( 282) = ( 0.5000000 0.2886751 0.0632710), wk = 0.0030675 k( 283) = ( 0.5000000 0.2886751 0.0474533), wk = 0.0030675 k( 284) = ( 0.5000000 0.2886751 0.0316355), wk = 0.0030675 k( 285) = ( 0.5000000 0.2886751 0.0158178), wk = 0.0030675 k( 286) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0030675 k( 287) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0030675 k( 288) = ( 0.3333333 0.5773503 0.0158178), wk = 0.0030675 k( 289) = ( 0.3333333 0.5773503 0.0316355), wk = 0.0030675 k( 290) = ( 0.3333333 0.5773503 0.0474533), wk = 0.0030675 k( 291) = ( 0.3333333 0.5773503 0.0632710), wk = 0.0030675 k( 292) = ( 0.3333333 0.5773503 0.0790888), wk = 0.0030675 k( 293) = ( 0.3333333 0.5773503 0.0949066), wk = 0.0030675 k( 294) = ( 0.3333333 0.5773503 0.1107243), wk = 0.0030675 k( 295) = ( 0.3333333 0.5773503 0.1265421), wk = 0.0030675 k( 296) = ( 0.3333333 0.5773503 0.1423599), wk = 0.0030675 k( 297) = ( 0.3333333 0.5773503 0.1581776), wk = 0.0030675 k( 298) = ( 0.3333333 0.5773503 0.1739954), wk = 0.0030675 k( 299) = ( 0.3333333 0.5773503 0.1898131), wk = 0.0030675 k( 300) = ( 0.3333333 0.5773503 0.2056309), wk = 0.0030675 k( 301) = ( 0.3333333 0.5773503 0.2214487), wk = 0.0030675 k( 302) = ( 0.3333333 0.5773503 0.2372664), wk = 0.0030675 k( 303) = ( 0.3333333 0.5773503 0.2530842), wk = 0.0030675 k( 304) = ( 0.3333333 0.5773503 0.2689020), wk = 0.0030675 k( 305) = ( 0.3333333 0.5773503 0.2847197), wk = 0.0030675 k( 306) = ( 0.3333333 0.5773503 0.3005375), wk = 0.0030675 k( 307) = ( 0.3333333 0.5773503 0.3163552), wk = 0.0030675 k( 308) = ( 0.3333333 0.5773503 0.3321730), wk = 0.0030675 k( 309) = ( 0.3333333 0.5773503 0.3479908), wk = 0.0030675 k( 310) = ( 0.3333333 0.5773503 0.3638085), wk = 0.0030675 k( 311) = ( 0.3333333 0.5773503 0.3796263), wk = 0.0030675 k( 312) = ( 0.3333333 0.5773503 0.3954441), wk = 0.0030675 k( 313) = ( 0.3333333 0.5773503 0.4112618), wk = 0.0030675 k( 314) = ( 0.3333333 0.5773503 0.4270796), wk = 0.0030675 k( 315) = ( 0.3333333 0.5773503 0.4428973), wk = 0.0030675 k( 316) = ( 0.3333333 0.5773503 0.4587151), wk = 0.0030675 k( 317) = ( 0.3333333 0.5773503 0.4745329), wk = 0.0030675 k( 318) = ( 0.3333333 0.5773503 0.4903506), wk = 0.0030675 k( 319) = ( 0.3333333 0.5773503 0.5061684), wk = 0.0030675 k( 320) = ( 0.3333333 0.5773503 0.5219861), wk = 0.0030675 k( 321) = ( 0.3333333 0.5773503 0.5378039), wk = 0.0030675 k( 322) = ( 0.3333333 0.5773503 0.5536217), wk = 0.0030675 k( 323) = ( 0.3333333 0.5773503 0.5694394), wk = 0.0030675 k( 324) = ( 0.3333333 0.5773503 0.5852572), wk = 0.0030675 k( 325) = ( 0.3333333 0.5773503 0.6010750), wk = 0.0030675 k( 326) = ( 0.3333333 0.5773503 0.6168927), wk = 0.0030675 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030675 k( 2) = ( 0.0135135 -0.0000000 -0.0000000), wk = 0.0030675 k( 3) = ( 0.0270270 0.0000000 -0.0000000), wk = 0.0030675 k( 4) = ( 0.0405405 -0.0000000 -0.0000000), wk = 0.0030675 k( 5) = ( 0.0540540 0.0000000 -0.0000000), wk = 0.0030675 k( 6) = ( 0.0675676 0.0000000 -0.0000000), wk = 0.0030675 k( 7) = ( 0.0810811 -0.0000000 -0.0000000), wk = 0.0030675 k( 8) = ( 0.0945946 0.0000000 0.0000000), wk = 0.0030675 k( 9) = ( 0.1081081 0.0000000 -0.0000000), wk = 0.0030675 k( 10) = ( 0.1216216 -0.0000000 -0.0000000), wk = 0.0030675 k( 11) = ( 0.1351351 0.0000000 -0.0000000), wk = 0.0030675 k( 12) = ( 0.1486486 -0.0000000 0.0000000), wk = 0.0030675 k( 13) = ( 0.1621622 -0.0000000 -0.0000000), wk = 0.0030675 k( 14) = ( 0.1756757 0.0000000 -0.0000000), wk = 0.0030675 k( 15) = ( 0.1891892 0.0000000 -0.0000000), wk = 0.0030675 k( 16) = ( 0.2027027 0.0000000 -0.0000000), wk = 0.0030675 k( 17) = ( 0.2162162 0.0000000 -0.0000000), wk = 0.0030675 k( 18) = ( 0.2297297 -0.0000000 -0.0000000), wk = 0.0030675 k( 19) = ( 0.2432432 -0.0000000 -0.0000000), wk = 0.0030675 k( 20) = ( 0.2567568 -0.0000000 -0.0000000), wk = 0.0030675 k( 21) = ( 0.2702703 -0.0000000 -0.0000000), wk = 0.0030675 k( 22) = ( 0.2837838 -0.0000000 -0.0000000), wk = 0.0030675 k( 23) = ( 0.2972973 -0.0000000 0.0000000), wk = 0.0030675 k( 24) = ( 0.3108108 -0.0000000 -0.0000000), wk = 0.0030675 k( 25) = ( 0.3243243 -0.0000000 -0.0000000), wk = 0.0030675 k( 26) = ( 0.3378378 0.0000000 -0.0000000), wk = 0.0030675 k( 27) = ( 0.3513514 0.0000000 -0.0000000), wk = 0.0030675 k( 28) = ( 0.3648649 0.0000000 -0.0000000), wk = 0.0030675 k( 29) = ( 0.3783784 0.0000000 -0.0000000), wk = 0.0030675 k( 30) = ( 0.3918919 0.0000000 -0.0000000), wk = 0.0030675 k( 31) = ( 0.4054054 -0.0000000 0.0000000), wk = 0.0030675 k( 32) = ( 0.4189189 -0.0000000 -0.0000000), wk = 0.0030675 k( 33) = ( 0.4324324 -0.0000000 -0.0000000), wk = 0.0030675 k( 34) = ( 0.4459459 0.0000000 -0.0000000), wk = 0.0030675 k( 35) = ( 0.4594595 -0.0000000 -0.0000000), wk = 0.0030675 k( 36) = ( 0.4729730 0.0000000 -0.0000000), wk = 0.0030675 k( 37) = ( 0.4864865 -0.0000000 -0.0000000), wk = 0.0030675 k( 38) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0030675 k( 39) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0030675 k( 40) = ( 0.4920635 0.0158730 -0.0000000), wk = 0.0030675 k( 41) = ( 0.4841270 0.0317460 -0.0000000), wk = 0.0030675 k( 42) = ( 0.4761905 0.0476191 -0.0000000), wk = 0.0030675 k( 43) = ( 0.4682540 0.0634921 -0.0000000), wk = 0.0030675 k( 44) = ( 0.4603175 0.0793651 -0.0000000), wk = 0.0030675 k( 45) = ( 0.4523810 0.0952381 -0.0000000), wk = 0.0030675 k( 46) = ( 0.4444444 0.1111111 0.0000000), wk = 0.0030675 k( 47) = ( 0.4365079 0.1269841 -0.0000000), wk = 0.0030675 k( 48) = ( 0.4285714 0.1428571 -0.0000000), wk = 0.0030675 k( 49) = ( 0.4206349 0.1587302 0.0000000), wk = 0.0030675 k( 50) = ( 0.4126984 0.1746032 -0.0000000), wk = 0.0030675 k( 51) = ( 0.4047619 0.1904762 -0.0000000), wk = 0.0030675 k( 52) = ( 0.3968254 0.2063492 -0.0000000), wk = 0.0030675 k( 53) = ( 0.3888889 0.2222222 -0.0000000), wk = 0.0030675 k( 54) = ( 0.3809524 0.2380952 0.0000000), wk = 0.0030675 k( 55) = ( 0.3730159 0.2539682 -0.0000000), wk = 0.0030675 k( 56) = ( 0.3650794 0.2698413 -0.0000000), wk = 0.0030675 k( 57) = ( 0.3571429 0.2857143 0.0000000), wk = 0.0030675 k( 58) = ( 0.3492063 0.3015873 0.0000000), wk = 0.0030675 k( 59) = ( 0.3412698 0.3174603 0.0000000), wk = 0.0030675 k( 60) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0030675 k( 61) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0030675 k( 62) = ( 0.3253968 0.3253968 -0.0000000), wk = 0.0030675 k( 63) = ( 0.3174603 0.3174603 -0.0000000), wk = 0.0030675 k( 64) = ( 0.3095238 0.3095238 0.0000000), wk = 0.0030675 k( 65) = ( 0.3015873 0.3015873 0.0000000), wk = 0.0030675 k( 66) = ( 0.2936508 0.2936508 0.0000000), wk = 0.0030675 k( 67) = ( 0.2857143 0.2857143 -0.0000000), wk = 0.0030675 k( 68) = ( 0.2777778 0.2777778 -0.0000000), wk = 0.0030675 k( 69) = ( 0.2698413 0.2698413 -0.0000000), wk = 0.0030675 k( 70) = ( 0.2619048 0.2619048 0.0000000), wk = 0.0030675 k( 71) = ( 0.2539683 0.2539683 0.0000000), wk = 0.0030675 k( 72) = ( 0.2460317 0.2460317 0.0000000), wk = 0.0030675 k( 73) = ( 0.2380952 0.2380952 0.0000000), wk = 0.0030675 k( 74) = ( 0.2301587 0.2301587 0.0000000), wk = 0.0030675 k( 75) = ( 0.2222222 0.2222222 0.0000000), wk = 0.0030675 k( 76) = ( 0.2142857 0.2142857 0.0000000), wk = 0.0030675 k( 77) = ( 0.2063492 0.2063492 -0.0000000), wk = 0.0030675 k( 78) = ( 0.1984127 0.1984127 -0.0000000), wk = 0.0030675 k( 79) = ( 0.1904762 0.1904762 0.0000000), wk = 0.0030675 k( 80) = ( 0.1825397 0.1825397 -0.0000000), wk = 0.0030675 k( 81) = ( 0.1746032 0.1746032 0.0000000), wk = 0.0030675 k( 82) = ( 0.1666667 0.1666667 -0.0000000), wk = 0.0030675 k( 83) = ( 0.1587302 0.1587302 -0.0000000), wk = 0.0030675 k( 84) = ( 0.1507937 0.1507937 0.0000000), wk = 0.0030675 k( 85) = ( 0.1428571 0.1428571 0.0000000), wk = 0.0030675 k( 86) = ( 0.1349206 0.1349206 0.0000000), wk = 0.0030675 k( 87) = ( 0.1269841 0.1269841 0.0000000), wk = 0.0030675 k( 88) = ( 0.1190476 0.1190476 0.0000000), wk = 0.0030675 k( 89) = ( 0.1111111 0.1111111 0.0000000), wk = 0.0030675 k( 90) = ( 0.1031746 0.1031746 -0.0000000), wk = 0.0030675 k( 91) = ( 0.0952381 0.0952381 -0.0000000), wk = 0.0030675 k( 92) = ( 0.0873016 0.0873016 -0.0000000), wk = 0.0030675 k( 93) = ( 0.0793651 0.0793651 -0.0000000), wk = 0.0030675 k( 94) = ( 0.0714286 0.0714286 0.0000000), wk = 0.0030675 k( 95) = ( 0.0634921 0.0634921 -0.0000000), wk = 0.0030675 k( 96) = ( 0.0555556 0.0555556 0.0000000), wk = 0.0030675 k( 97) = ( 0.0476191 0.0476191 -0.0000000), wk = 0.0030675 k( 98) = ( 0.0396825 0.0396825 -0.0000000), wk = 0.0030675 k( 99) = ( 0.0317460 0.0317460 -0.0000000), wk = 0.0030675 k( 100) = ( 0.0238095 0.0238095 -0.0000000), wk = 0.0030675 k( 101) = ( 0.0158730 0.0158730 0.0000000), wk = 0.0030675 k( 102) = ( 0.0079365 0.0079365 0.0000000), wk = 0.0030675 k( 103) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030675 k( 104) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030675 k( 105) = ( 0.0000000 0.0000000 0.0128205), wk = 0.0030675 k( 106) = ( 0.0000000 0.0000000 0.0256410), wk = 0.0030675 k( 107) = ( 0.0000000 0.0000000 0.0384615), wk = 0.0030675 k( 108) = ( 0.0000000 0.0000000 0.0512821), wk = 0.0030675 k( 109) = ( 0.0000000 0.0000000 0.0641026), wk = 0.0030675 k( 110) = ( 0.0000000 0.0000000 0.0769231), wk = 0.0030675 k( 111) = ( 0.0000000 0.0000000 0.0897436), wk = 0.0030675 k( 112) = ( 0.0000000 0.0000000 0.1025641), wk = 0.0030675 k( 113) = ( 0.0000000 0.0000000 0.1153846), wk = 0.0030675 k( 114) = ( 0.0000000 0.0000000 0.1282051), wk = 0.0030675 k( 115) = ( 0.0000000 0.0000000 0.1410256), wk = 0.0030675 k( 116) = ( 0.0000000 0.0000000 0.1538461), wk = 0.0030675 k( 117) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0030675 k( 118) = ( 0.0000000 0.0000000 0.1794872), wk = 0.0030675 k( 119) = ( 0.0000000 0.0000000 0.1923077), wk = 0.0030675 k( 120) = ( 0.0000000 0.0000000 0.2051282), wk = 0.0030675 k( 121) = ( 0.0000000 0.0000000 0.2179487), wk = 0.0030675 k( 122) = ( 0.0000000 0.0000000 0.2307692), wk = 0.0030675 k( 123) = ( 0.0000000 0.0000000 0.2435897), wk = 0.0030675 k( 124) = ( 0.0000000 0.0000000 0.2564103), wk = 0.0030675 k( 125) = ( 0.0000000 0.0000000 0.2692308), wk = 0.0030675 k( 126) = ( 0.0000000 0.0000000 0.2820513), wk = 0.0030675 k( 127) = ( 0.0000000 0.0000000 0.2948718), wk = 0.0030675 k( 128) = ( 0.0000000 0.0000000 0.3076923), wk = 0.0030675 k( 129) = ( 0.0000000 0.0000000 0.3205128), wk = 0.0030675 k( 130) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0030675 k( 131) = ( 0.0000000 0.0000000 0.3461538), wk = 0.0030675 k( 132) = ( 0.0000000 0.0000000 0.3589744), wk = 0.0030675 k( 133) = ( 0.0000000 0.0000000 0.3717949), wk = 0.0030675 k( 134) = ( 0.0000000 0.0000000 0.3846154), wk = 0.0030675 k( 135) = ( 0.0000000 0.0000000 0.3974359), wk = 0.0030675 k( 136) = ( 0.0000000 0.0000000 0.4102564), wk = 0.0030675 k( 137) = ( 0.0000000 0.0000000 0.4230769), wk = 0.0030675 k( 138) = ( 0.0000000 0.0000000 0.4358974), wk = 0.0030675 k( 139) = ( 0.0000000 0.0000000 0.4487180), wk = 0.0030675 k( 140) = ( 0.0000000 0.0000000 0.4615385), wk = 0.0030675 k( 141) = ( 0.0000000 0.0000000 0.4743590), wk = 0.0030675 k( 142) = ( 0.0000000 0.0000000 0.4871795), wk = 0.0030675 k( 143) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0030675 k( 144) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0030675 k( 145) = ( 0.0135135 -0.0000000 0.5000000), wk = 0.0030675 k( 146) = ( 0.0270270 0.0000000 0.5000000), wk = 0.0030675 k( 147) = ( 0.0405405 -0.0000000 0.5000000), wk = 0.0030675 k( 148) = ( 0.0540540 0.0000000 0.5000000), wk = 0.0030675 k( 149) = ( 0.0675676 0.0000000 0.5000000), wk = 0.0030675 k( 150) = ( 0.0810811 -0.0000000 0.5000000), wk = 0.0030675 k( 151) = ( 0.0945946 0.0000000 0.5000000), wk = 0.0030675 k( 152) = ( 0.1081081 0.0000000 0.5000000), wk = 0.0030675 k( 153) = ( 0.1216216 -0.0000000 0.5000000), wk = 0.0030675 k( 154) = ( 0.1351351 0.0000000 0.5000000), wk = 0.0030675 k( 155) = ( 0.1486486 -0.0000000 0.5000000), wk = 0.0030675 k( 156) = ( 0.1621622 -0.0000000 0.5000000), wk = 0.0030675 k( 157) = ( 0.1756757 0.0000000 0.5000000), wk = 0.0030675 k( 158) = ( 0.1891892 0.0000000 0.5000000), wk = 0.0030675 k( 159) = ( 0.2027027 0.0000000 0.5000000), wk = 0.0030675 k( 160) = ( 0.2162162 0.0000000 0.5000000), wk = 0.0030675 k( 161) = ( 0.2297297 -0.0000000 0.5000000), wk = 0.0030675 k( 162) = ( 0.2432432 -0.0000000 0.5000000), wk = 0.0030675 k( 163) = ( 0.2567568 -0.0000000 0.5000000), wk = 0.0030675 k( 164) = ( 0.2702703 -0.0000000 0.5000000), wk = 0.0030675 k( 165) = ( 0.2837838 -0.0000000 0.5000000), wk = 0.0030675 k( 166) = ( 0.2972973 -0.0000000 0.5000000), wk = 0.0030675 k( 167) = ( 0.3108108 -0.0000000 0.5000000), wk = 0.0030675 k( 168) = ( 0.3243243 -0.0000000 0.5000000), wk = 0.0030675 k( 169) = ( 0.3378378 0.0000000 0.5000000), wk = 0.0030675 k( 170) = ( 0.3513514 0.0000000 0.5000000), wk = 0.0030675 k( 171) = ( 0.3648649 0.0000000 0.5000000), wk = 0.0030675 k( 172) = ( 0.3783784 0.0000000 0.5000000), wk = 0.0030675 k( 173) = ( 0.3918919 0.0000000 0.5000000), wk = 0.0030675 k( 174) = ( 0.4054054 -0.0000000 0.5000000), wk = 0.0030675 k( 175) = ( 0.4189189 -0.0000000 0.5000000), wk = 0.0030675 k( 176) = ( 0.4324324 -0.0000000 0.5000000), wk = 0.0030675 k( 177) = ( 0.4459459 0.0000000 0.5000000), wk = 0.0030675 k( 178) = ( 0.4594595 -0.0000000 0.5000000), wk = 0.0030675 k( 179) = ( 0.4729730 0.0000000 0.5000000), wk = 0.0030675 k( 180) = ( 0.4864865 -0.0000000 0.5000000), wk = 0.0030675 k( 181) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0030675 k( 182) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0030675 k( 183) = ( 0.4920635 0.0158730 0.5000000), wk = 0.0030675 k( 184) = ( 0.4841270 0.0317460 0.5000000), wk = 0.0030675 k( 185) = ( 0.4761905 0.0476191 0.5000000), wk = 0.0030675 k( 186) = ( 0.4682540 0.0634921 0.5000000), wk = 0.0030675 k( 187) = ( 0.4603175 0.0793651 0.5000000), wk = 0.0030675 k( 188) = ( 0.4523810 0.0952381 0.5000000), wk = 0.0030675 k( 189) = ( 0.4444444 0.1111111 0.5000000), wk = 0.0030675 k( 190) = ( 0.4365079 0.1269841 0.5000000), wk = 0.0030675 k( 191) = ( 0.4285714 0.1428571 0.5000000), wk = 0.0030675 k( 192) = ( 0.4206349 0.1587302 0.5000000), wk = 0.0030675 k( 193) = ( 0.4126984 0.1746032 0.5000000), wk = 0.0030675 k( 194) = ( 0.4047619 0.1904762 0.5000000), wk = 0.0030675 k( 195) = ( 0.3968254 0.2063492 0.5000000), wk = 0.0030675 k( 196) = ( 0.3888889 0.2222222 0.5000000), wk = 0.0030675 k( 197) = ( 0.3809524 0.2380952 0.5000000), wk = 0.0030675 k( 198) = ( 0.3730159 0.2539682 0.5000000), wk = 0.0030675 k( 199) = ( 0.3650794 0.2698413 0.5000000), wk = 0.0030675 k( 200) = ( 0.3571429 0.2857143 0.5000000), wk = 0.0030675 k( 201) = ( 0.3492063 0.3015873 0.5000000), wk = 0.0030675 k( 202) = ( 0.3412698 0.3174603 0.5000000), wk = 0.0030675 k( 203) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0030675 k( 204) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0030675 k( 205) = ( 0.3253968 0.3253968 0.5000000), wk = 0.0030675 k( 206) = ( 0.3174603 0.3174603 0.5000000), wk = 0.0030675 k( 207) = ( 0.3095238 0.3095238 0.5000000), wk = 0.0030675 k( 208) = ( 0.3015873 0.3015873 0.5000000), wk = 0.0030675 k( 209) = ( 0.2936508 0.2936508 0.5000000), wk = 0.0030675 k( 210) = ( 0.2857143 0.2857143 0.5000000), wk = 0.0030675 k( 211) = ( 0.2777778 0.2777778 0.5000000), wk = 0.0030675 k( 212) = ( 0.2698413 0.2698413 0.5000000), wk = 0.0030675 k( 213) = ( 0.2619048 0.2619048 0.5000000), wk = 0.0030675 k( 214) = ( 0.2539683 0.2539683 0.5000000), wk = 0.0030675 k( 215) = ( 0.2460317 0.2460317 0.5000000), wk = 0.0030675 k( 216) = ( 0.2380952 0.2380952 0.5000000), wk = 0.0030675 k( 217) = ( 0.2301587 0.2301587 0.5000000), wk = 0.0030675 k( 218) = ( 0.2222222 0.2222222 0.5000000), wk = 0.0030675 k( 219) = ( 0.2142857 0.2142857 0.5000000), wk = 0.0030675 k( 220) = ( 0.2063492 0.2063492 0.5000000), wk = 0.0030675 k( 221) = ( 0.1984127 0.1984127 0.5000000), wk = 0.0030675 k( 222) = ( 0.1904762 0.1904762 0.5000000), wk = 0.0030675 k( 223) = ( 0.1825397 0.1825397 0.5000000), wk = 0.0030675 k( 224) = ( 0.1746032 0.1746032 0.5000000), wk = 0.0030675 k( 225) = ( 0.1666667 0.1666667 0.5000000), wk = 0.0030675 k( 226) = ( 0.1587302 0.1587302 0.5000000), wk = 0.0030675 k( 227) = ( 0.1507937 0.1507937 0.5000000), wk = 0.0030675 k( 228) = ( 0.1428571 0.1428571 0.5000000), wk = 0.0030675 k( 229) = ( 0.1349206 0.1349206 0.5000000), wk = 0.0030675 k( 230) = ( 0.1269841 0.1269841 0.5000000), wk = 0.0030675 k( 231) = ( 0.1190476 0.1190476 0.5000000), wk = 0.0030675 k( 232) = ( 0.1111111 0.1111111 0.5000000), wk = 0.0030675 k( 233) = ( 0.1031746 0.1031746 0.5000000), wk = 0.0030675 k( 234) = ( 0.0952381 0.0952381 0.5000000), wk = 0.0030675 k( 235) = ( 0.0873016 0.0873016 0.5000000), wk = 0.0030675 k( 236) = ( 0.0793651 0.0793651 0.5000000), wk = 0.0030675 k( 237) = ( 0.0714286 0.0714286 0.5000000), wk = 0.0030675 k( 238) = ( 0.0634921 0.0634921 0.5000000), wk = 0.0030675 k( 239) = ( 0.0555556 0.0555556 0.5000000), wk = 0.0030675 k( 240) = ( 0.0476191 0.0476191 0.5000000), wk = 0.0030675 k( 241) = ( 0.0396825 0.0396825 0.5000000), wk = 0.0030675 k( 242) = ( 0.0317460 0.0317460 0.5000000), wk = 0.0030675 k( 243) = ( 0.0238095 0.0238095 0.5000000), wk = 0.0030675 k( 244) = ( 0.0158730 0.0158730 0.5000000), wk = 0.0030675 k( 245) = ( 0.0079365 0.0079365 0.5000000), wk = 0.0030675 k( 246) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0030675 k( 247) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0030675 k( 248) = ( 0.5000000 0.0000000 0.4871795), wk = 0.0030675 k( 249) = ( 0.5000000 0.0000000 0.4743590), wk = 0.0030675 k( 250) = ( 0.5000000 0.0000000 0.4615385), wk = 0.0030675 k( 251) = ( 0.5000000 0.0000000 0.4487180), wk = 0.0030675 k( 252) = ( 0.5000000 0.0000000 0.4358974), wk = 0.0030675 k( 253) = ( 0.5000000 0.0000000 0.4230769), wk = 0.0030675 k( 254) = ( 0.5000000 0.0000000 0.4102564), wk = 0.0030675 k( 255) = ( 0.5000000 0.0000000 0.3974359), wk = 0.0030675 k( 256) = ( 0.5000000 0.0000000 0.3846154), wk = 0.0030675 k( 257) = ( 0.5000000 0.0000000 0.3717949), wk = 0.0030675 k( 258) = ( 0.5000000 0.0000000 0.3589744), wk = 0.0030675 k( 259) = ( 0.5000000 0.0000000 0.3461539), wk = 0.0030675 k( 260) = ( 0.5000000 0.0000000 0.3333333), wk = 0.0030675 k( 261) = ( 0.5000000 0.0000000 0.3205128), wk = 0.0030675 k( 262) = ( 0.5000000 0.0000000 0.3076923), wk = 0.0030675 k( 263) = ( 0.5000000 0.0000000 0.2948718), wk = 0.0030675 k( 264) = ( 0.5000000 0.0000000 0.2820513), wk = 0.0030675 k( 265) = ( 0.5000000 0.0000000 0.2692308), wk = 0.0030675 k( 266) = ( 0.5000000 0.0000000 0.2564103), wk = 0.0030675 k( 267) = ( 0.5000000 0.0000000 0.2435897), wk = 0.0030675 k( 268) = ( 0.5000000 0.0000000 0.2307692), wk = 0.0030675 k( 269) = ( 0.5000000 0.0000000 0.2179487), wk = 0.0030675 k( 270) = ( 0.5000000 0.0000000 0.2051282), wk = 0.0030675 k( 271) = ( 0.5000000 0.0000000 0.1923077), wk = 0.0030675 k( 272) = ( 0.5000000 0.0000000 0.1794872), wk = 0.0030675 k( 273) = ( 0.5000000 0.0000000 0.1666667), wk = 0.0030675 k( 274) = ( 0.5000000 0.0000000 0.1538461), wk = 0.0030675 k( 275) = ( 0.5000000 0.0000000 0.1410256), wk = 0.0030675 k( 276) = ( 0.5000000 0.0000000 0.1282051), wk = 0.0030675 k( 277) = ( 0.5000000 0.0000000 0.1153846), wk = 0.0030675 k( 278) = ( 0.5000000 0.0000000 0.1025641), wk = 0.0030675 k( 279) = ( 0.5000000 0.0000000 0.0897436), wk = 0.0030675 k( 280) = ( 0.5000000 0.0000000 0.0769231), wk = 0.0030675 k( 281) = ( 0.5000000 0.0000000 0.0641026), wk = 0.0030675 k( 282) = ( 0.5000000 0.0000000 0.0512821), wk = 0.0030675 k( 283) = ( 0.5000000 0.0000000 0.0384615), wk = 0.0030675 k( 284) = ( 0.5000000 0.0000000 0.0256410), wk = 0.0030675 k( 285) = ( 0.5000000 0.0000000 0.0128205), wk = 0.0030675 k( 286) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0030675 k( 287) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0030675 k( 288) = ( 0.3333333 0.3333333 0.0128205), wk = 0.0030675 k( 289) = ( 0.3333333 0.3333333 0.0256410), wk = 0.0030675 k( 290) = ( 0.3333333 0.3333333 0.0384615), wk = 0.0030675 k( 291) = ( 0.3333333 0.3333333 0.0512821), wk = 0.0030675 k( 292) = ( 0.3333333 0.3333333 0.0641026), wk = 0.0030675 k( 293) = ( 0.3333333 0.3333333 0.0769231), wk = 0.0030675 k( 294) = ( 0.3333333 0.3333333 0.0897436), wk = 0.0030675 k( 295) = ( 0.3333333 0.3333333 0.1025641), wk = 0.0030675 k( 296) = ( 0.3333333 0.3333333 0.1153846), wk = 0.0030675 k( 297) = ( 0.3333333 0.3333333 0.1282051), wk = 0.0030675 k( 298) = ( 0.3333333 0.3333333 0.1410256), wk = 0.0030675 k( 299) = ( 0.3333333 0.3333333 0.1538461), wk = 0.0030675 k( 300) = ( 0.3333333 0.3333333 0.1666667), wk = 0.0030675 k( 301) = ( 0.3333333 0.3333333 0.1794872), wk = 0.0030675 k( 302) = ( 0.3333333 0.3333333 0.1923077), wk = 0.0030675 k( 303) = ( 0.3333333 0.3333333 0.2051282), wk = 0.0030675 k( 304) = ( 0.3333333 0.3333333 0.2179487), wk = 0.0030675 k( 305) = ( 0.3333333 0.3333333 0.2307692), wk = 0.0030675 k( 306) = ( 0.3333333 0.3333333 0.2435897), wk = 0.0030675 k( 307) = ( 0.3333333 0.3333333 0.2564103), wk = 0.0030675 k( 308) = ( 0.3333333 0.3333333 0.2692308), wk = 0.0030675 k( 309) = ( 0.3333333 0.3333333 0.2820513), wk = 0.0030675 k( 310) = ( 0.3333333 0.3333333 0.2948718), wk = 0.0030675 k( 311) = ( 0.3333333 0.3333333 0.3076923), wk = 0.0030675 k( 312) = ( 0.3333333 0.3333333 0.3205128), wk = 0.0030675 k( 313) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0030675 k( 314) = ( 0.3333333 0.3333333 0.3461538), wk = 0.0030675 k( 315) = ( 0.3333333 0.3333333 0.3589744), wk = 0.0030675 k( 316) = ( 0.3333333 0.3333333 0.3717949), wk = 0.0030675 k( 317) = ( 0.3333333 0.3333333 0.3846154), wk = 0.0030675 k( 318) = ( 0.3333333 0.3333333 0.3974359), wk = 0.0030675 k( 319) = ( 0.3333333 0.3333333 0.4102564), wk = 0.0030675 k( 320) = ( 0.3333333 0.3333333 0.4230769), wk = 0.0030675 k( 321) = ( 0.3333333 0.3333333 0.4358974), wk = 0.0030675 k( 322) = ( 0.3333333 0.3333333 0.4487180), wk = 0.0030675 k( 323) = ( 0.3333333 0.3333333 0.4615385), wk = 0.0030675 k( 324) = ( 0.3333333 0.3333333 0.4743590), wk = 0.0030675 k( 325) = ( 0.3333333 0.3333333 0.4871795), wk = 0.0030675 k( 326) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0030675 Dense grid: 36739 G-vectors FFT dimensions: ( 48, 48, 40) Smooth grid: 25059 G-vectors FFT dimensions: ( 45, 45, 36) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.12 Mb ( 180, 44) NL pseudopotentials 0.20 Mb ( 90, 144) Each V/rho on FFT grid 0.07 Mb ( 4608) Each G-vector array 0.01 Mb ( 1021) G-vector shells 0.00 Mb ( 484) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.48 Mb ( 180, 176) Each subspace H/S matrix 0.03 Mb ( 44, 44) Each matrix 0.19 Mb ( 144, 2, 44) The potential is recalculated from file : ./FeGe.save/charge-density.dat Starting wfc are 78 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 1.9 secs Computing kpt #: 2 total cpu time spent up to now is 2.4 secs Computing kpt #: 3 total cpu time spent up to now is 2.7 secs Computing kpt #: 4 total cpu time spent up to now is 3.1 secs Computing kpt #: 5 total cpu time spent up to now is 3.5 secs Computing kpt #: 6 total cpu time spent up to now is 3.9 secs Computing kpt #: 7 total cpu time spent up to now is 4.2 secs Computing kpt #: 8 total cpu time spent up to now is 4.6 secs Computing kpt #: 9 total cpu time spent up to now is 4.9 secs Computing kpt #: 10 total cpu time spent up to now is 5.3 secs Computing kpt #: 11 total cpu time spent up to now is 5.7 secs Computing kpt #: 12 total cpu time spent up to now is 6.1 secs Computing kpt #: 13 total cpu time spent up to now is 6.5 secs Computing kpt #: 14 total cpu time spent up to now is 6.9 secs Computing kpt #: 15 total cpu time spent up to now is 7.2 secs Computing kpt #: 16 total cpu time spent up to now is 7.6 secs Computing kpt #: 17 total cpu time spent up to now is 8.0 secs Computing kpt #: 18 total cpu time spent up to now is 8.3 secs Computing kpt #: 19 total cpu time spent up to now is 8.7 secs Computing kpt #: 20 total cpu time spent up to now is 9.0 secs Computing kpt #: 21 total cpu time spent up to now is 9.4 secs Computing kpt #: 22 total cpu time spent up to now is 9.7 secs Computing kpt #: 23 total cpu time spent up to now is 10.0 secs Computing kpt #: 24 total cpu time spent up to now is 10.4 secs Computing kpt #: 25 total cpu time spent up to now is 10.8 secs Computing kpt #: 26 total cpu time spent up to now is 11.7 secs Computing kpt #: 27 total cpu time spent up to now is 12.2 secs Computing kpt #: 28 total cpu time spent up to now is 12.6 secs Computing kpt #: 29 total cpu time spent up to now is 12.9 secs Computing kpt #: 30 total cpu time spent up to now is 13.3 secs Computing kpt #: 31 total cpu time spent up to now is 13.6 secs Computing kpt #: 32 total cpu time spent up to now is 14.0 secs Computing kpt #: 33 total cpu time spent up to now is 14.3 secs Computing kpt #: 34 total cpu time spent up to now is 14.7 secs Computing kpt #: 35 total cpu time spent up to now is 15.0 secs Computing kpt #: 36 total cpu time spent up to now is 15.3 secs Computing kpt #: 37 total cpu time spent up to now is 15.7 secs Computing kpt #: 38 total cpu time spent up to now is 16.0 secs Computing kpt #: 39 total cpu time spent up to now is 16.3 secs Computing kpt #: 40 total cpu time spent up to now is 16.7 secs Computing kpt #: 41 total cpu time spent up to now is 17.0 secs Computing kpt #: 42 total cpu time spent up to now is 17.3 secs Computing kpt #: 43 total cpu time spent up to now is 17.7 secs Computing kpt #: 44 total cpu time spent up to now is 18.0 secs Computing kpt #: 45 total cpu time spent up to now is 18.4 secs Computing kpt #: 46 total cpu time spent up to now is 18.7 secs Computing kpt #: 47 total cpu time spent up to now is 19.1 secs Computing kpt #: 48 total cpu time spent up to now is 19.5 secs Computing kpt #: 49 total cpu time spent up to now is 19.9 secs Computing kpt #: 50 total cpu time spent up to now is 20.3 secs Computing kpt #: 51 total cpu time spent up to now is 20.6 secs Computing kpt #: 52 total cpu time spent up to now is 20.9 secs Computing kpt #: 53 total cpu time spent up to now is 21.3 secs Computing kpt #: 54 total cpu time spent up to now is 21.6 secs Computing kpt #: 55 total cpu time spent up to now is 21.9 secs Computing kpt #: 56 total cpu time spent up to now is 22.3 secs Computing kpt #: 57 total cpu time spent up to now is 22.6 secs Computing kpt #: 58 total cpu time spent up to now is 22.9 secs Computing kpt #: 59 total cpu time spent up to now is 23.3 secs Computing kpt #: 60 total cpu time spent up to now is 23.7 secs Computing kpt #: 61 total cpu time spent up to now is 24.1 secs Computing kpt #: 62 total cpu time spent up to now is 24.5 secs Computing kpt #: 63 total cpu time spent up to now is 24.8 secs Computing kpt #: 64 total cpu time spent up to now is 25.2 secs Computing kpt #: 65 total cpu time spent up to now is 25.5 secs Computing kpt #: 66 total cpu time spent up to now is 25.8 secs Computing kpt #: 67 total cpu time spent up to now is 26.2 secs Computing kpt #: 68 total cpu time spent up to now is 26.5 secs Computing kpt #: 69 total cpu time spent up to now is 26.8 secs Computing kpt #: 70 total cpu time spent up to now is 27.1 secs Computing kpt #: 71 total cpu time spent up to now is 27.4 secs Computing kpt #: 72 total cpu time spent up to now is 27.8 secs Computing kpt #: 73 total cpu time spent up to now is 28.1 secs Computing kpt #: 74 total cpu time spent up to now is 28.4 secs Computing kpt #: 75 total cpu time spent up to now is 28.7 secs Computing kpt #: 76 total cpu time spent up to now is 29.2 secs Computing kpt #: 77 total cpu time spent up to now is 29.6 secs Computing kpt #: 78 total cpu time spent up to now is 30.2 secs Computing kpt #: 79 total cpu time spent up to now is 31.0 secs Computing kpt #: 80 total cpu time spent up to now is 31.4 secs Computing kpt #: 81 total cpu time spent up to now is 31.8 secs Computing kpt #: 82 total cpu time spent up to now is 32.1 secs Computing kpt #: 83 total cpu time spent up to now is 32.4 secs Computing kpt #: 84 total cpu time spent up to now is 32.8 secs Computing kpt #: 85 total cpu time spent up to now is 33.1 secs Computing kpt #: 86 total cpu time spent up to now is 33.5 secs Computing kpt #: 87 total cpu time spent up to now is 33.8 secs Computing kpt #: 88 total cpu time spent up to now is 34.2 secs Computing kpt #: 89 total cpu time spent up to now is 34.6 secs Computing kpt #: 90 total cpu time spent up to now is 35.0 secs Computing kpt #: 91 total cpu time spent up to now is 35.4 secs Computing kpt #: 92 total cpu time spent up to now is 35.8 secs Computing kpt #: 93 total cpu time spent up to now is 36.2 secs Computing kpt #: 94 total cpu time spent up to now is 36.5 secs Computing kpt #: 95 total cpu time spent up to now is 36.9 secs Computing kpt #: 96 total cpu time spent up to now is 37.3 secs Computing kpt #: 97 total cpu time spent up to now is 37.6 secs Computing kpt #: 98 total cpu time spent up to now is 38.1 secs Computing kpt #: 99 total cpu time spent up to now is 38.5 secs Computing kpt #: 100 total cpu time spent up to now is 38.9 secs Computing kpt #: 101 total cpu time spent up to now is 39.2 secs Computing kpt #: 102 total cpu time spent up to now is 39.6 secs Computing kpt #: 103 total cpu time spent up to now is 40.0 secs Computing kpt #: 104 total cpu time spent up to now is 40.4 secs Computing kpt #: 105 total cpu time spent up to now is 40.8 secs Computing kpt #: 106 total cpu time spent up to now is 41.2 secs Computing kpt #: 107 total cpu time spent up to now is 41.6 secs Computing kpt #: 108 total cpu time spent up to now is 42.0 secs Computing kpt #: 109 total cpu time spent up to now is 42.4 secs Computing kpt #: 110 total cpu time spent up to now is 42.8 secs Computing kpt #: 111 total cpu time spent up to now is 43.2 secs Computing kpt #: 112 total cpu time spent up to now is 43.5 secs Computing kpt #: 113 total cpu time spent up to now is 43.9 secs Computing kpt #: 114 total cpu time spent up to now is 44.3 secs Computing kpt #: 115 total cpu time spent up to now is 44.6 secs Computing kpt #: 116 total cpu time spent up to now is 45.0 secs Computing kpt #: 117 total cpu time spent up to now is 45.3 secs Computing kpt #: 118 total cpu time spent up to now is 45.7 secs Computing kpt #: 119 total cpu time spent up to now is 46.1 secs Computing kpt #: 120 total cpu time spent up to now is 46.6 secs Computing kpt #: 121 total cpu time spent up to now is 47.0 secs Computing kpt #: 122 total cpu time spent up to now is 47.6 secs Computing kpt #: 123 total cpu time spent up to now is 48.1 secs Computing kpt #: 124 total cpu time spent up to now is 48.4 secs Computing kpt #: 125 total cpu time spent up to now is 48.8 secs Computing kpt #: 126 total cpu time spent up to now is 49.1 secs Computing kpt #: 127 total cpu time spent up to now is 49.4 secs Computing kpt #: 128 total cpu time spent up to now is 49.7 secs Computing kpt #: 129 total cpu time spent up to now is 50.0 secs Computing kpt #: 130 total cpu time spent up to now is 50.3 secs Computing kpt #: 131 total cpu time spent up to now is 50.7 secs Computing kpt #: 132 total cpu time spent up to now is 51.0 secs Computing kpt #: 133 total cpu time spent up to now is 51.3 secs Computing kpt #: 134 total cpu time spent up to now is 51.6 secs Computing kpt #: 135 total cpu time spent up to now is 51.9 secs Computing kpt #: 136 total cpu time spent up to now is 52.3 secs Computing kpt #: 137 total cpu time spent up to now is 52.6 secs Computing kpt #: 138 total cpu time spent up to now is 52.9 secs Computing kpt #: 139 total cpu time spent up to now is 53.2 secs Computing kpt #: 140 total cpu time spent up to now is 53.5 secs Computing kpt #: 141 total cpu time spent up to now is 53.8 secs Computing kpt #: 142 total cpu time spent up to now is 54.1 secs Computing kpt #: 143 total cpu time spent up to now is 54.4 secs Computing kpt #: 144 total cpu time spent up to now is 54.7 secs Computing kpt #: 145 total cpu time spent up to now is 55.0 secs Computing kpt #: 146 total cpu time spent up to now is 55.3 secs Computing kpt #: 147 total cpu time spent up to now is 55.5 secs Computing kpt #: 148 total cpu time spent up to now is 55.9 secs Computing kpt #: 149 total cpu time spent up to now is 56.2 secs Computing kpt #: 150 total cpu time spent up to now is 56.5 secs Computing kpt #: 151 total cpu time spent up to now is 56.8 secs Computing kpt #: 152 total cpu time spent up to now is 57.1 secs Computing kpt #: 153 total cpu time spent up to now is 57.5 secs Computing kpt #: 154 total cpu time spent up to now is 58.0 secs Computing kpt #: 155 total cpu time spent up to now is 58.4 secs Computing kpt #: 156 total cpu time spent up to now is 58.8 secs Computing kpt #: 157 total cpu time spent up to now is 59.1 secs Computing kpt #: 158 total cpu time spent up to now is 59.4 secs Computing kpt #: 159 total cpu time spent up to now is 59.7 secs Computing kpt #: 160 total cpu time spent up to now is 60.0 secs Computing kpt #: 161 total cpu time spent up to now is 60.3 secs Computing kpt #: 162 total cpu time spent up to now is 60.6 secs Computing kpt #: 163 total cpu time spent up to now is 60.9 secs Computing kpt #: 164 total cpu time spent up to now is 61.2 secs Computing kpt #: 165 total cpu time spent up to now is 61.5 secs Computing kpt #: 166 total cpu time spent up to now is 61.8 secs Computing kpt #: 167 total cpu time spent up to now is 62.1 secs Computing kpt #: 168 total cpu time spent up to now is 62.4 secs Computing kpt #: 169 total cpu time spent up to now is 62.7 secs Computing kpt #: 170 total cpu time spent up to now is 63.0 secs Computing kpt #: 171 total cpu time spent up to now is 63.3 secs Computing kpt #: 172 total cpu time spent up to now is 63.5 secs Computing kpt #: 173 total cpu time spent up to now is 63.8 secs Computing kpt #: 174 total cpu time spent up to now is 64.1 secs Computing kpt #: 175 total cpu time spent up to now is 64.4 secs Computing kpt #: 176 total cpu time spent up to now is 64.6 secs Computing kpt #: 177 total cpu time spent up to now is 64.9 secs Computing kpt #: 178 total cpu time spent up to now is 65.2 secs Computing kpt #: 179 total cpu time spent up to now is 65.4 secs Computing kpt #: 180 total cpu time spent up to now is 65.7 secs Computing kpt #: 181 total cpu time spent up to now is 65.9 secs Computing kpt #: 182 total cpu time spent up to now is 66.2 secs Computing kpt #: 183 total cpu time spent up to now is 66.5 secs Computing kpt #: 184 total cpu time spent up to now is 66.7 secs Computing kpt #: 185 total cpu time spent up to now is 67.0 secs Computing kpt #: 186 total cpu time spent up to now is 67.3 secs Computing kpt #: 187 total cpu time spent up to now is 67.6 secs Computing kpt #: 188 total cpu time spent up to now is 67.8 secs Computing kpt #: 189 total cpu time spent up to now is 68.1 secs Computing kpt #: 190 total cpu time spent up to now is 68.4 secs Computing kpt #: 191 total cpu time spent up to now is 68.7 secs Computing kpt #: 192 total cpu time spent up to now is 68.9 secs Computing kpt #: 193 total cpu time spent up to now is 69.2 secs Computing kpt #: 194 total cpu time spent up to now is 69.5 secs Computing kpt #: 195 total cpu time spent up to now is 69.7 secs Computing kpt #: 196 total cpu time spent up to now is 70.0 secs Computing kpt #: 197 total cpu time spent up to now is 70.3 secs Computing kpt #: 198 total cpu time spent up to now is 70.6 secs Computing kpt #: 199 total cpu time spent up to now is 70.9 secs Computing kpt #: 200 total cpu time spent up to now is 71.2 secs Computing kpt #: 201 total cpu time spent up to now is 71.5 secs Computing kpt #: 202 total cpu time spent up to now is 71.7 secs Computing kpt #: 203 total cpu time spent up to now is 72.0 secs Computing kpt #: 204 total cpu time spent up to now is 72.3 secs Computing kpt #: 205 total cpu time spent up to now is 72.5 secs Computing kpt #: 206 total cpu time spent up to now is 72.8 secs Computing kpt #: 207 total cpu time spent up to now is 73.1 secs Computing kpt #: 208 total cpu time spent up to now is 73.4 secs Computing kpt #: 209 total cpu time spent up to now is 73.7 secs Computing kpt #: 210 total cpu time spent up to now is 73.9 secs Computing kpt #: 211 total cpu time spent up to now is 74.2 secs Computing kpt #: 212 total cpu time spent up to now is 74.5 secs Computing kpt #: 213 total cpu time spent up to now is 74.8 secs Computing kpt #: 214 total cpu time spent up to now is 75.1 secs Computing kpt #: 215 total cpu time spent up to now is 75.4 secs Computing kpt #: 216 total cpu time spent up to now is 75.6 secs Computing kpt #: 217 total cpu time spent up to now is 75.9 secs Computing kpt #: 218 total cpu time spent up to now is 76.2 secs Computing kpt #: 219 total cpu time spent up to now is 76.5 secs Computing kpt #: 220 total cpu time spent up to now is 76.8 secs Computing kpt #: 221 total cpu time spent up to now is 77.1 secs Computing kpt #: 222 total cpu time spent up to now is 77.4 secs Computing kpt #: 223 total cpu time spent up to now is 77.7 secs Computing kpt #: 224 total cpu time spent up to now is 78.0 secs Computing kpt #: 225 total cpu time spent up to now is 78.3 secs Computing kpt #: 226 total cpu time spent up to now is 78.6 secs Computing kpt #: 227 total cpu time spent up to now is 78.9 secs Computing kpt #: 228 total cpu time spent up to now is 79.2 secs Computing kpt #: 229 total cpu time spent up to now is 79.5 secs Computing kpt #: 230 total cpu time spent up to now is 79.8 secs Computing kpt #: 231 total cpu time spent up to now is 80.2 secs Computing kpt #: 232 total cpu time spent up to now is 80.5 secs Computing kpt #: 233 total cpu time spent up to now is 80.8 secs Computing kpt #: 234 total cpu time spent up to now is 81.1 secs Computing kpt #: 235 total cpu time spent up to now is 81.4 secs Computing kpt #: 236 total cpu time spent up to now is 81.7 secs Computing kpt #: 237 total cpu time spent up to now is 82.0 secs Computing kpt #: 238 total cpu time spent up to now is 82.3 secs Computing kpt #: 239 total cpu time spent up to now is 82.6 secs Computing kpt #: 240 total cpu time spent up to now is 82.9 secs Computing kpt #: 241 total cpu time spent up to now is 83.2 secs Computing kpt #: 242 total cpu time spent up to now is 83.5 secs Computing kpt #: 243 total cpu time spent up to now is 83.8 secs Computing kpt #: 244 total cpu time spent up to now is 84.1 secs Computing kpt #: 245 total cpu time spent up to now is 84.4 secs Computing kpt #: 246 total cpu time spent up to now is 84.7 secs Computing kpt #: 247 total cpu time spent up to now is 84.9 secs Computing kpt #: 248 total cpu time spent up to now is 85.2 secs Computing kpt #: 249 total cpu time spent up to now is 85.5 secs Computing kpt #: 250 total cpu time spent up to now is 85.8 secs Computing kpt #: 251 total cpu time spent up to now is 86.0 secs Computing kpt #: 252 total cpu time spent up to now is 86.3 secs Computing kpt #: 253 total cpu time spent up to now is 86.6 secs Computing kpt #: 254 total cpu time spent up to now is 86.9 secs Computing kpt #: 255 total cpu time spent up to now is 87.2 secs Computing kpt #: 256 total cpu time spent up to now is 87.4 secs Computing kpt #: 257 total cpu time spent up to now is 87.7 secs Computing kpt #: 258 total cpu time spent up to now is 88.0 secs Computing kpt #: 259 total cpu time spent up to now is 88.3 secs Computing kpt #: 260 total cpu time spent up to now is 88.6 secs Computing kpt #: 261 total cpu time spent up to now is 88.9 secs Computing kpt #: 262 total cpu time spent up to now is 89.2 secs Computing kpt #: 263 total cpu time spent up to now is 89.5 secs Computing kpt #: 264 total cpu time spent up to now is 89.7 secs Computing kpt #: 265 total cpu time spent up to now is 90.0 secs Computing kpt #: 266 total cpu time spent up to now is 90.4 secs Computing kpt #: 267 total cpu time spent up to now is 90.7 secs Computing kpt #: 268 total cpu time spent up to now is 91.0 secs Computing kpt #: 269 total cpu time spent up to now is 91.3 secs Computing kpt #: 270 total cpu time spent up to now is 91.7 secs Computing kpt #: 271 total cpu time spent up to now is 92.1 secs Computing kpt #: 272 total cpu time spent up to now is 92.5 secs Computing kpt #: 273 total cpu time spent up to now is 92.9 secs Computing kpt #: 274 total cpu time spent up to now is 93.2 secs Computing kpt #: 275 total cpu time spent up to now is 93.6 secs Computing kpt #: 276 total cpu time spent up to now is 93.9 secs Computing kpt #: 277 total cpu time spent up to now is 94.2 secs Computing kpt #: 278 total cpu time spent up to now is 94.6 secs Computing kpt #: 279 total cpu time spent up to now is 94.9 secs Computing kpt #: 280 total cpu time spent up to now is 95.2 secs Computing kpt #: 281 total cpu time spent up to now is 95.5 secs Computing kpt #: 282 total cpu time spent up to now is 95.9 secs Computing kpt #: 283 total cpu time spent up to now is 96.2 secs Computing kpt #: 284 total cpu time spent up to now is 96.5 secs Computing kpt #: 285 total cpu time spent up to now is 96.8 secs Computing kpt #: 286 total cpu time spent up to now is 97.1 secs Computing kpt #: 287 total cpu time spent up to now is 97.6 secs Computing kpt #: 288 total cpu time spent up to now is 98.0 secs Computing kpt #: 289 total cpu time spent up to now is 98.3 secs Computing kpt #: 290 total cpu time spent up to now is 98.7 secs Computing kpt #: 291 total cpu time spent up to now is 99.0 secs Computing kpt #: 292 total cpu time spent up to now is 99.6 secs Computing kpt #: 293 total cpu time spent up to now is 100.0 secs Computing kpt #: 294 total cpu time spent up to now is 100.3 secs Computing kpt #: 295 total cpu time spent up to now is 100.6 secs Computing kpt #: 296 total cpu time spent up to now is 101.0 secs Computing kpt #: 297 total cpu time spent up to now is 101.3 secs Computing kpt #: 298 total cpu time spent up to now is 101.7 secs Computing kpt #: 299 total cpu time spent up to now is 102.1 secs Computing kpt #: 300 total cpu time spent up to now is 102.4 secs Computing kpt #: 301 total cpu time spent up to now is 102.8 secs Computing kpt #: 302 total cpu time spent up to now is 103.1 secs Computing kpt #: 303 total cpu time spent up to now is 103.5 secs Computing kpt #: 304 total cpu time spent up to now is 103.9 secs Computing kpt #: 305 total cpu time spent up to now is 104.3 secs Computing kpt #: 306 total cpu time spent up to now is 105.0 secs Computing kpt #: 307 total cpu time spent up to now is 105.4 secs Computing kpt #: 308 total cpu time spent up to now is 105.7 secs Computing kpt #: 309 total cpu time spent up to now is 106.0 secs Computing kpt #: 310 total cpu time spent up to now is 106.4 secs Computing kpt #: 311 total cpu time spent up to now is 106.7 secs Computing kpt #: 312 total cpu time spent up to now is 107.0 secs Computing kpt #: 313 total cpu time spent up to now is 107.3 secs Computing kpt #: 314 total cpu time spent up to now is 107.6 secs Computing kpt #: 315 total cpu time spent up to now is 107.9 secs Computing kpt #: 316 total cpu time spent up to now is 108.2 secs Computing kpt #: 317 total cpu time spent up to now is 108.5 secs Computing kpt #: 318 total cpu time spent up to now is 108.7 secs Computing kpt #: 319 total cpu time spent up to now is 109.0 secs Computing kpt #: 320 total cpu time spent up to now is 109.3 secs Computing kpt #: 321 total cpu time spent up to now is 109.6 secs Computing kpt #: 322 total cpu time spent up to now is 109.8 secs Computing kpt #: 323 total cpu time spent up to now is 110.1 secs Computing kpt #: 324 total cpu time spent up to now is 110.4 secs Computing kpt #: 325 total cpu time spent up to now is 110.7 secs Computing kpt #: 326 total cpu time spent up to now is 110.9 secs ethr = 2.78E-08, avg # of iterations = 17.1 total cpu time spent up to now is 110.9 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3167 PWs) bands (ev): -2.1091 -2.1091 1.9254 1.9254 3.6784 3.6784 5.7098 5.7098 5.7899 5.7899 6.0143 6.0143 6.4470 6.4470 7.2250 7.2250 7.3202 7.3202 7.3521 7.3521 7.7773 7.7773 7.7941 7.7941 8.3686 8.3686 8.4058 8.4058 9.8420 9.8420 9.8902 9.8902 10.0740 10.0740 10.0906 10.0906 10.1497 10.1497 10.8335 10.8335 11.2575 11.2575 12.1595 12.1595 k = 0.0135 0.0078-0.0000 ( 3155 PWs) bands (ev): -2.1077 -2.1077 1.9250 1.9250 3.6709 3.6709 5.7104 5.7104 5.7902 5.7902 6.0149 6.0149 6.4477 6.4477 7.2261 7.2261 7.3216 7.3216 7.3543 7.3543 7.7777 7.7777 7.7943 7.7943 8.3685 8.3685 8.4058 8.4058 9.8424 9.8424 9.8905 9.8905 10.0736 10.0736 10.0910 10.0910 10.1502 10.1502 10.8367 10.8367 11.2573 11.2573 12.1598 12.1598 k = 0.0270 0.0156-0.0000 ( 3155 PWs) bands (ev): -2.1035 -2.1035 1.9237 1.9237 3.6488 3.6488 5.7102 5.7102 5.7931 5.7931 6.0164 6.0164 6.4497 6.4497 7.2289 7.2289 7.3261 7.3261 7.3611 7.3611 7.7786 7.7786 7.7951 7.7951 8.3677 8.3677 8.4056 8.4056 9.8436 9.8436 9.8916 9.8916 10.0718 10.0718 10.0923 10.0923 10.1515 10.1515 10.8462 10.8462 11.2566 11.2566 12.1609 12.1609 k = 0.0405 0.0234-0.0000 ( 3151 PWs) bands (ev): -2.0965 -2.0965 1.9216 1.9216 3.6129 3.6129 5.7047 5.7047 5.8022 5.8022 6.0188 6.0188 6.4531 6.4531 7.2327 7.2327 7.3339 7.3339 7.3724 7.3724 7.7801 7.7801 7.7964 7.7964 8.3658 8.3658 8.4058 8.4058 9.8453 9.8453 9.8936 9.8936 10.0687 10.0687 10.0942 10.0942 10.1541 10.1541 10.8619 10.8619 11.2555 11.2555 12.1628 12.1628 k = 0.0541 0.0312-0.0000 ( 3139 PWs) bands (ev): -2.0867 -2.0867 1.9186 1.9186 3.5643 3.5643 5.6912 5.6912 5.8198 5.8198 6.0223 6.0223 6.4583 6.4583 7.2365 7.2365 7.3457 7.3457 7.3880 7.3880 7.7822 7.7822 7.7984 7.7984 8.3621 8.3621 8.4073 8.4073 9.8470 9.8470 9.8967 9.8967 10.0643 10.0643 10.0966 10.0966 10.1585 10.1585 10.8837 10.8837 11.2540 11.2540 12.1658 12.1658 k = 0.0676 0.0390-0.0000 ( 3131 PWs) bands (ev): -2.0741 -2.0741 1.9145 1.9145 3.5047 3.5047 5.6703 5.6703 5.8442 5.8442 6.0266 6.0266 6.4655 6.4655 7.2393 7.2393 7.3616 7.3616 7.4078 7.4078 7.7848 7.7848 7.8012 7.8012 8.3558 8.3558 8.4106 8.4106 9.8481 9.8481 9.9015 9.9015 10.0582 10.0582 10.0990 10.0990 10.1651 10.1651 10.9110 10.9110 11.2523 11.2523 12.1698 12.1698 k = 0.0811 0.0468-0.0000 ( 3117 PWs) bands (ev): -2.0587 -2.0587 1.9093 1.9093 3.4355 3.4355 5.6436 5.6436 5.8729 5.8729 6.0321 6.0321 6.4750 6.4750 7.2407 7.2407 7.3815 7.3815 7.4311 7.4311 7.7877 7.7877 7.8052 7.8052 8.3471 8.3471 8.4159 8.4159 9.8479 9.8479 9.9081 9.9081 10.0503 10.0503 10.1013 10.1013 10.1742 10.1742 10.9435 10.9435 11.2505 11.2505 12.1754 12.1754 k = 0.0946 0.0546-0.0000 ( 3123 PWs) bands (ev): -2.0405 -2.0405 1.9028 1.9028 3.3584 3.3584 5.6125 5.6125 5.9036 5.9036 6.0384 6.0384 6.4871 6.4871 7.2408 7.2408 7.4051 7.4051 7.4572 7.4572 7.7907 7.7907 7.8107 7.8107 8.3361 8.3361 8.4228 8.4228 9.8460 9.8460 9.9165 9.9165 10.0407 10.0407 10.1032 10.1032 10.1862 10.1862 10.9804 10.9804 11.2488 11.2488 12.1828 12.1828 k = 0.1081 0.0624-0.0000 ( 3127 PWs) bands (ev): -2.0196 -2.0196 1.8948 1.8948 3.2749 3.2749 5.5780 5.5780 5.9345 5.9345 6.0457 6.0457 6.5021 6.5021 7.2395 7.2395 7.4318 7.4318 7.4852 7.4852 7.7936 7.7936 7.8180 7.8180 8.3230 8.3230 8.4314 8.4314 9.8423 9.8423 9.9266 9.9266 10.0294 10.0294 10.1048 10.1048 10.2011 10.2011 11.0206 11.0206 11.2475 11.2475 12.1926 12.1926 k = 0.1216 0.0702-0.0000 ( 3131 PWs) bands (ev): -1.9959 -1.9959 1.8851 1.8851 3.1866 3.1866 5.5409 5.5409 5.9645 5.9645 6.0540 6.0540 6.5203 6.5203 7.2371 7.2371 7.4614 7.4614 7.5139 7.5139 7.7965 7.7965 7.8278 7.8278 8.3082 8.3082 8.4414 8.4414 9.8367 9.8367 9.9381 9.9381 10.0166 10.0166 10.1062 10.1062 10.2188 10.2188 11.0631 11.0631 11.2470 11.2470 12.2051 12.2051 k = 0.1351 0.0780-0.0000 ( 3117 PWs) bands (ev): -1.9694 -1.9694 1.8733 1.8733 3.0949 3.0949 5.5021 5.5021 5.9924 5.9924 6.0633 6.0633 6.5419 6.5419 7.2338 7.2338 7.4932 7.4932 7.5423 7.5423 7.7995 7.7995 7.8407 7.8407 8.2918 8.2918 8.4529 8.4529 9.8293 9.8293 9.9503 9.9503 10.0026 10.0026 10.1075 10.1075 10.2394 10.2394 11.1062 11.1062 11.2478 11.2478 12.2208 12.2208 k = 0.1486 0.0858-0.0000 ( 3117 PWs) bands (ev): -1.9402 -1.9402 1.8588 1.8588 3.0012 3.0012 5.4619 5.4619 6.0180 6.0180 6.0736 6.0736 6.5666 6.5666 7.2295 7.2295 7.5269 7.5269 7.5691 7.5691 7.8023 7.8023 7.8566 7.8566 8.2740 8.2740 8.4656 8.4656 9.8200 9.8200 9.9613 9.9613 9.9887 9.9887 10.1087 10.1087 10.2626 10.2626 11.1477 11.1477 11.2511 11.2511 12.2394 12.2394 k = 0.1622 0.0936-0.0000 ( 3120 PWs) bands (ev): -1.9083 -1.9083 1.8413 1.8413 2.9070 2.9070 5.4209 5.4209 6.0408 6.0408 6.0847 6.0847 6.5942 6.5942 7.2244 7.2244 7.5620 7.5620 7.5935 7.5935 7.8052 7.8052 7.8761 7.8761 8.2550 8.2550 8.4796 8.4796 9.8090 9.8090 9.9604 9.9604 9.9855 9.9855 10.1100 10.1100 10.2884 10.2884 11.1844 11.1844 11.2591 11.2591 12.2607 12.2607 k = 0.1757 0.1014-0.0000 ( 3120 PWs) bands (ev): -1.8737 -1.8737 1.8197 1.8197 2.8136 2.8136 5.3796 5.3796 6.0612 6.0612 6.0966 6.0966 6.6244 6.6244 7.2186 7.2186 7.5978 7.5978 7.6152 7.6152 7.8083 7.8083 7.8993 7.8993 8.2348 8.2348 8.4948 8.4948 9.7965 9.7965 9.9442 9.9442 9.9958 9.9958 10.1114 10.1114 10.3170 10.3170 11.2114 11.2114 11.2753 11.2753 12.2840 12.2840 k = 0.1892 0.1092-0.0000 ( 3120 PWs) bands (ev): -1.8363 -1.8363 1.7933 1.7933 2.7228 2.7228 5.3382 5.3382 6.0794 6.0794 6.1092 6.1092 6.6568 6.6568 7.2120 7.2120 7.6294 7.6294 7.6379 7.6379 7.8117 7.8117 7.9260 7.9260 8.2139 8.2139 8.5113 8.5113 9.7824 9.7824 9.9243 9.9243 10.0077 10.0077 10.1129 10.1129 10.3479 10.3479 11.2279 11.2279 11.3000 11.3000 12.3089 12.3089 k = 0.2027 0.1170-0.0000 ( 3120 PWs) bands (ev): -1.7963 -1.7963 1.7610 1.7610 2.6361 2.6361 5.2971 5.2971 6.0960 6.0960 6.1223 6.1223 6.6909 6.6909 7.2047 7.2047 7.6460 7.6460 7.6721 7.6721 7.8158 7.8158 7.9558 7.9558 8.1923 8.1923 8.5288 8.5288 9.7669 9.7669 9.9025 9.9025 10.0191 10.0191 10.1144 10.1144 10.3815 10.3815 11.2391 11.2391 11.3273 11.3273 12.3358 12.3358 k = 0.2162 0.1248-0.0000 ( 3122 PWs) bands (ev): -1.7536 -1.7536 1.7215 1.7215 2.5553 2.5553 5.2566 5.2566 6.1113 6.1113 6.1358 6.1358 6.7263 6.7263 7.1968 7.1968 7.6579 7.6579 7.7065 7.7065 7.8211 7.8211 7.9879 7.9879 8.1702 8.1702 8.5473 8.5473 9.7500 9.7500 9.8792 9.8792 10.0292 10.0292 10.1161 10.1161 10.4175 10.4175 11.2492 11.2492 11.3528 11.3528 12.3651 12.3651 k = 0.2297 0.1326-0.0000 ( 3128 PWs) bands (ev): -1.7083 -1.7083 1.6737 1.6737 2.4817 2.4817 5.2170 5.2170 6.1256 6.1256 6.1497 6.1497 6.7625 6.7625 7.1881 7.1881 7.6672 7.6672 7.7377 7.7377 7.8291 7.8291 8.0215 8.0215 8.1478 8.1478 8.5669 8.5669 9.7320 9.7320 9.8546 9.8546 10.0375 10.0375 10.1178 10.1178 10.4561 10.4561 11.2599 11.2599 11.3752 11.3752 12.3976 12.3976 k = 0.2432 0.1404-0.0000 ( 3124 PWs) bands (ev): -1.6604 -1.6604 1.6170 1.6170 2.4166 2.4166 5.1783 5.1783 6.1390 6.1390 6.1643 6.1643 6.7992 6.7992 7.1787 7.1787 7.6744 7.6744 7.7626 7.7626 7.8423 7.8423 8.0559 8.0559 8.1256 8.1256 8.5876 8.5876 9.7131 9.7131 9.8290 9.8290 10.0439 10.0439 10.1194 10.1194 10.4971 10.4971 11.2718 11.2718 11.3941 11.3941 12.4337 12.4337 k = 0.2568 0.1482-0.0000 ( 3122 PWs) bands (ev): -1.6099 -1.6099 1.5510 1.5510 2.3604 2.3604 5.1408 5.1408 6.1516 6.1516 6.1797 6.1797 6.8363 6.8363 7.1686 7.1686 7.6798 7.6798 7.7787 7.7787 7.8629 7.8629 8.0881 8.0881 8.1061 8.1061 8.6093 8.6093 9.6932 9.6932 9.8023 9.8023 10.0483 10.0483 10.1207 10.1207 10.5403 10.5403 11.2850 11.2850 11.4099 11.4099 12.4739 12.4739 k = 0.2703 0.1560-0.0000 ( 3128 PWs) bands (ev): -1.5568 -1.5568 1.4764 1.4764 2.3131 2.3131 5.1047 5.1047 6.1637 6.1637 6.1957 6.1957 6.8734 6.8734 7.1578 7.1578 7.6840 7.6840 7.7873 7.7873 7.8889 7.8889 8.0788 8.0788 8.1284 8.1284 8.6319 8.6319 9.6725 9.6725 9.7747 9.7747 10.0507 10.0507 10.1215 10.1215 10.5858 10.5858 11.2992 11.2992 11.4231 11.4231 12.5186 12.5186 k = 0.2838 0.1638-0.0000 ( 3128 PWs) bands (ev): -1.5013 -1.5013 1.3941 1.3941 2.2739 2.2739 5.0701 5.0701 6.1752 6.1752 6.2124 6.2124 6.9104 6.9104 7.1464 7.1464 7.6870 7.6870 7.7914 7.7914 7.9173 7.9173 8.0576 8.0576 8.1627 8.1627 8.6554 8.6554 9.6512 9.6512 9.7463 9.7463 10.0513 10.0513 10.1218 10.1218 10.6335 10.6335 11.3145 11.3145 11.4343 11.4343 12.5680 12.5680 k = 0.2973 0.1716-0.0000 ( 3128 PWs) bands (ev): -1.4433 -1.4433 1.3054 1.3054 2.2416 2.2416 5.0372 5.0372 6.1864 6.1864 6.2296 6.2296 6.9471 6.9471 7.1344 7.1344 7.6893 7.6893 7.7927 7.7927 7.9456 7.9456 8.0367 8.0367 8.1968 8.1968 8.6797 8.6797 9.6296 9.6296 9.7173 9.7173 10.0500 10.0500 10.1217 10.1217 10.6833 10.6833 11.3303 11.3303 11.4442 11.4442 12.6223 12.6223 k = 0.3108 0.1794-0.0000 ( 3128 PWs) bands (ev): -1.3829 -1.3829 1.2119 1.2119 2.2151 2.2151 5.0059 5.0059 6.1973 6.1973 6.2472 6.2472 6.9834 6.9834 7.1219 7.1219 7.6907 7.6907 7.7922 7.7922 7.9722 7.9722 8.0172 8.0172 8.2301 8.2301 8.7048 8.7048 9.6078 9.6078 9.6877 9.6877 10.0469 10.0469 10.1211 10.1211 10.7351 10.7351 11.3464 11.3464 11.4532 11.4532 12.6816 12.6816 k = 0.3243 0.1872-0.0000 ( 3124 PWs) bands (ev): -1.3202 -1.3202 1.1147 1.1147 2.1934 2.1934 4.9764 4.9764 6.2080 6.2080 6.2650 6.2650 7.0190 7.0190 7.1088 7.1088 7.6917 7.6917 7.7904 7.7904 7.9885 7.9885 8.0070 8.0070 8.2623 8.2623 8.7307 8.7307 9.5859 9.5859 9.6577 9.6577 10.0421 10.0421 10.1202 10.1202 10.7888 10.7888 11.3625 11.3625 11.4616 11.4616 12.7457 12.7457 k = 0.3378 0.1951-0.0000 ( 3132 PWs) bands (ev): -1.2552 -1.2552 1.0150 1.0150 2.1755 2.1755 4.9489 4.9489 6.2183 6.2183 6.2830 6.2830 7.0537 7.0537 7.0956 7.0956 7.6921 7.6921 7.7874 7.7874 7.9753 7.9753 8.0254 8.0254 8.2932 8.2932 8.7571 8.7571 9.5640 9.5640 9.6275 9.6275 10.0358 10.0358 10.1193 10.1193 10.8440 10.8440 11.3782 11.3782 11.4698 11.4698 12.8070 12.8070 k = 0.3514 0.2029-0.0000 ( 3128 PWs) bands (ev): -1.1881 -1.1881 0.9139 0.9139 2.1607 2.1607 4.9233 4.9233 6.2283 6.2283 6.3010 6.3010 7.0784 7.0784 7.0913 7.0913 7.6923 7.6923 7.7834 7.7834 7.9585 7.9585 8.0464 8.0464 8.3226 8.3226 8.7841 8.7841 9.5423 9.5423 9.5975 9.5975 10.0281 10.0281 10.1183 10.1183 10.9008 10.9008 11.3932 11.3932 11.4779 11.4779 12.7578 12.7578 k = 0.3649 0.2107-0.0000 ( 3128 PWs) bands (ev): -1.1191 -1.1191 0.8122 0.8122 2.1484 2.1484 4.8998 4.8998 6.2380 6.2380 6.3188 6.3188 7.0666 7.0666 7.1222 7.1222 7.6921 7.6921 7.7783 7.7783 7.9425 7.9425 8.0656 8.0656 8.3504 8.3504 8.8114 8.8114 9.5206 9.5206 9.5680 9.5680 10.0194 10.0194 10.1175 10.1175 10.9586 10.9586 11.4074 11.4074 11.4860 11.4860 12.6981 12.6981 k = 0.3784 0.2185-0.0000 ( 3128 PWs) bands (ev): -1.0481 -1.0481 0.7106 0.7106 2.1381 2.1381 4.8783 4.8783 6.2472 6.2472 6.3361 6.3361 7.0528 7.0528 7.1540 7.1540 7.6918 7.6918 7.7723 7.7723 7.9276 7.9276 8.0828 8.0828 8.3763 8.3763 8.8390 8.8390 9.4987 9.4987 9.5399 9.5399 10.0099 10.0099 10.1168 10.1168 11.0173 11.0173 11.4206 11.4206 11.4941 11.4941 12.6352 12.6352 k = 0.3919 0.2263-0.0000 ( 3116 PWs) bands (ev): -0.9757 -0.9757 0.6097 0.6097 2.1296 2.1296 4.8590 4.8590 6.2558 6.2558 6.3529 6.3529 7.0392 7.0392 7.1844 7.1844 7.6914 7.6914 7.7657 7.7657 7.9142 7.9142 8.0977 8.0977 8.4002 8.4002 8.8667 8.8667 9.4758 9.4758 9.5142 9.5142 10.0003 10.0003 10.1162 10.1162 11.0763 11.0763 11.4327 11.4327 11.5021 11.5021 12.5702 12.5702 k = 0.4054 0.2341-0.0000 ( 3112 PWs) bands (ev): -0.9020 -0.9020 0.5104 0.5104 2.1225 2.1225 4.8419 4.8419 6.2637 6.2637 6.3688 6.3688 7.0259 7.0259 7.2130 7.2130 7.6909 7.6909 7.7583 7.7583 7.9022 7.9022 8.1107 8.1107 8.4219 8.4219 8.8941 8.8941 9.4514 9.4514 9.4921 9.4921 9.9906 9.9906 10.1158 10.1158 11.1350 11.1350 11.4435 11.4435 11.5099 11.5099 12.5045 12.5045 k = 0.4189 0.2419-0.0000 ( 3112 PWs) bands (ev): -0.8276 -0.8276 0.4133 0.4133 2.1166 2.1166 4.8270 4.8270 6.2709 6.2709 6.3835 6.3835 7.0135 7.0135 7.2394 7.2394 7.6903 7.6903 7.7506 7.7506 7.8917 7.8917 8.1215 8.1215 8.4412 8.4412 8.9210 8.9210 9.4257 9.4257 9.4739 9.4739 9.9812 9.9812 10.1154 10.1154 11.1925 11.1925 11.4530 11.4530 11.5173 11.5173 12.4395 12.4395 k = 0.4324 0.2497-0.0000 ( 3110 PWs) bands (ev): -0.7534 -0.7534 0.3196 0.3196 2.1119 2.1119 4.8143 4.8143 6.2772 6.2772 6.3968 6.3968 7.0021 7.0021 7.2633 7.2633 7.6898 7.6898 7.7428 7.7428 7.8828 7.8828 8.1304 8.1304 8.4578 8.4578 8.9468 8.9468 9.3999 9.3999 9.4590 9.4590 9.9726 9.9726 10.1151 10.1151 11.2477 11.2477 11.4611 11.4611 11.5241 11.5241 12.3770 12.3770 k = 0.4459 0.2575-0.0000 ( 3110 PWs) bands (ev): -0.6807 -0.6807 0.2308 0.2308 2.1082 2.1082 4.8039 4.8039 6.2824 6.2824 6.4083 6.4083 6.9921 6.9921 7.2840 7.2840 7.6893 7.6893 7.7354 7.7354 7.8754 7.8754 8.1376 8.1376 8.4717 8.4717 8.9709 8.9709 9.3753 9.3753 9.4472 9.4472 9.9651 9.9651 10.1150 10.1150 11.2989 11.2989 11.4678 11.4678 11.5302 11.5302 12.3192 12.3192 k = 0.4595 0.2653-0.0000 ( 3106 PWs) bands (ev): -0.6122 -0.6122 0.1496 0.1496 2.1053 2.1053 4.7958 4.7958 6.2866 6.2866 6.4176 6.4176 6.9839 6.9839 7.3010 7.3010 7.6890 7.6890 7.7288 7.7288 7.8697 7.8697 8.1430 8.1430 8.4827 8.4827 8.9922 8.9922 9.3534 9.3534 9.4380 9.4380 9.9590 9.9590 10.1149 10.1149 11.3437 11.3437 11.4730 11.4730 11.5352 11.5352 12.2688 12.2688 k = 0.4730 0.2731-0.0000 ( 3110 PWs) bands (ev): -0.5523 -0.5523 0.0806 0.0806 2.1033 2.1033 4.7900 4.7900 6.2896 6.2896 6.4245 6.4245 6.9778 6.9778 7.3136 7.3136 7.6887 7.6887 7.7235 7.7235 7.8656 7.8656 8.1468 8.1468 8.4907 8.4907 9.0093 9.0093 9.3357 9.3357 9.4315 9.4315 9.9545 9.9545 10.1148 10.1148 11.3794 11.3794 11.4767 11.4767 11.5391 11.5391 12.2289 12.2289 k = 0.4865 0.2809-0.0000 ( 3114 PWs) bands (ev): -0.5090 -0.5090 0.0318 0.0318 2.1021 2.1021 4.7865 4.7865 6.2915 6.2915 6.4288 6.4288 6.9740 6.9740 7.3215 7.3215 7.6886 7.6886 7.7201 7.7201 7.8631 7.8631 8.1490 8.1490 8.4955 8.4955 9.0206 9.0206 9.3239 9.3239 9.4275 9.4275 9.9517 9.9517 10.1147 10.1147 11.4026 11.4026 11.4789 11.4789 11.5415 11.5415 12.2030 12.2030 k = 0.5000 0.2887-0.0000 ( 3112 PWs) bands (ev): -0.4927 -0.4927 0.0136 0.0136 2.1017 2.1017 4.7853 4.7853 6.2921 6.2921 6.4302 6.4302 6.9727 6.9727 7.3241 7.3241 7.6885 7.6885 7.7190 7.7190 7.8623 7.8623 8.1498 8.1498 8.4971 8.4971 9.0246 9.0246 9.3199 9.3199 9.4263 9.4263 9.9508 9.9508 10.1147 10.1147 11.4108 11.4108 11.4797 11.4797 11.5423 11.5423 12.1940 12.1940 k = 0.5000 0.2887-0.0000 ( 3112 PWs) bands (ev): -0.4927 -0.4927 0.0136 0.0136 2.1017 2.1017 4.7853 4.7853 6.2921 6.2921 6.4302 6.4302 6.9727 6.9727 7.3241 7.3241 7.6885 7.6885 7.7190 7.7190 7.8623 7.8623 8.1498 8.1498 8.4971 8.4971 9.0246 9.0246 9.3199 9.3199 9.4263 9.4263 9.9508 9.9508 10.1147 10.1147 11.4108 11.4108 11.4797 11.4797 11.5423 11.5423 12.1940 12.1940 k = 0.4921 0.3024-0.0000 ( 3110 PWs) bands (ev): -0.4912 -0.4912 0.0147 0.0147 2.0945 2.0945 4.7925 4.7925 6.2925 6.2925 6.4309 6.4309 6.9720 6.9720 7.3250 7.3250 7.6717 7.6717 7.7318 7.7318 7.8621 7.8621 8.1478 8.1478 8.4999 8.4999 9.0253 9.0253 9.3203 9.3203 9.4242 9.4242 9.9530 9.9530 10.1128 10.1128 11.4137 11.4137 11.4781 11.4781 11.5424 11.5424 12.1948 12.1948 k = 0.4841 0.3162-0.0000 ( 3108 PWs) bands (ev): -0.4869 -0.4869 0.0179 0.0179 2.0729 2.0729 4.8136 4.8136 6.2937 6.2937 6.4329 6.4329 6.9697 6.9697 7.3274 7.3274 7.6413 7.6413 7.7502 7.7502 7.8616 7.8616 8.1422 8.1422 8.5081 8.5081 9.0272 9.0272 9.3215 9.3215 9.4182 9.4182 9.9597 9.9597 10.1071 10.1071 11.4222 11.4222 11.4735 11.4735 11.5426 11.5426 12.1974 12.1974 k = 0.4762 0.3299-0.0000 ( 3116 PWs) bands (ev): -0.4796 -0.4796 0.0233 0.0233 2.0379 2.0379 4.8480 4.8480 6.2957 6.2957 6.4361 6.4361 6.9659 6.9659 7.3314 7.3314 7.6051 7.6051 7.7665 7.7665 7.8608 7.8608 8.1334 8.1334 8.5211 8.5211 9.0304 9.0304 9.3233 9.3233 9.4087 9.4087 9.9703 9.9703 10.0978 10.0978 11.4362 11.4362 11.4666 11.4666 11.5426 11.5426 12.2016 12.2016 k = 0.4683 0.3437-0.0000 ( 3118 PWs) bands (ev): -0.4695 -0.4695 0.0308 0.0308 1.9905 1.9905 4.8945 4.8945 6.2985 6.2985 6.4407 6.4407 6.9607 6.9607 7.3371 7.3371 7.5638 7.5638 7.7803 7.7803 7.8596 7.8596 8.1221 8.1221 8.5383 8.5383 9.0349 9.0349 9.3257 9.3257 9.3962 9.3962 9.9841 9.9841 10.0856 10.0856 11.4520 11.4520 11.4610 11.4610 11.5421 11.5421 12.2075 12.2075 k = 0.4603 0.3574-0.0000 ( 3132 PWs) bands (ev): -0.4565 -0.4565 0.0403 0.0403 1.9321 1.9321 4.9516 4.9516 6.3019 6.3019 6.4463 6.4463 6.9540 6.9540 7.3445 7.3445 7.5174 7.5174 7.7914 7.7914 7.8580 7.8580 8.1092 8.1092 8.5589 8.5589 9.0406 9.0406 9.3287 9.3287 9.3814 9.3814 9.9995 9.9995 10.0717 10.0717 11.4454 11.4454 11.4816 11.4816 11.5409 11.5409 12.2150 12.2150 k = 0.4524 0.3712-0.0000 ( 3132 PWs) bands (ev): -0.4405 -0.4405 0.0518 0.0518 1.8644 1.8644 5.0177 5.0177 6.3060 6.3060 6.4534 6.4534 6.9459 6.9459 7.3535 7.3535 7.4661 7.4661 7.8003 7.8003 7.8564 7.8564 8.0953 8.0953 8.5821 8.5821 9.0476 9.0476 9.3317 9.3317 9.3651 9.3651 10.0124 10.0124 10.0603 10.0603 11.4342 11.4342 11.5104 11.5104 11.5391 11.5391 12.2242 12.2242 k = 0.4444 0.3849-0.0000 ( 3130 PWs) bands (ev): -0.4217 -0.4217 0.0652 0.0652 1.7888 1.7888 5.0914 5.0914 6.3107 6.3107 6.4618 6.4618 6.9365 6.9365 7.3641 7.3641 7.4100 7.4100 7.8069 7.8069 7.8545 7.8545 8.0809 8.0809 8.6074 8.6074 9.0559 9.0559 9.3327 9.3327 9.3499 9.3499 10.0107 10.0107 10.0630 10.0630 11.4224 11.4224 11.5337 11.5337 11.5467 11.5467 12.2350 12.2350 k = 0.4365 0.3986-0.0000 ( 3130 PWs) bands (ev): -0.4001 -0.4001 0.0805 0.0805 1.7067 1.7067 5.1710 5.1710 6.3158 6.3158 6.4714 6.4714 6.9257 6.9257 7.3494 7.3494 7.3764 7.3764 7.8113 7.8113 7.8525 7.8525 8.0663 8.0663 8.6344 8.6344 9.0654 9.0654 9.3223 9.3223 9.3454 9.3454 9.9939 9.9939 10.0804 10.0804 11.4108 11.4108 11.5314 11.5314 11.5832 11.5832 12.2472 12.2472 k = 0.4286 0.4124-0.0000 ( 3146 PWs) bands (ev): -0.3755 -0.3755 0.0974 0.0974 1.6196 1.6196 5.2553 5.2553 6.3214 6.3214 6.4820 6.4820 6.9135 6.9135 7.2846 7.2846 7.3902 7.3902 7.8136 7.8136 7.8503 7.8503 8.0520 8.0520 8.6626 8.6626 9.0758 9.0758 9.3041 9.3041 9.3481 9.3481 9.9717 9.9717 10.1027 10.1027 11.3996 11.3996 11.5272 11.5272 11.6246 11.6246 12.2610 12.2610 k = 0.4206 0.4261-0.0000 ( 3146 PWs) bands (ev): -0.3481 -0.3481 0.1158 0.1158 1.5287 1.5287 5.3432 5.3432 6.3273 6.3273 6.4940 6.4940 6.9002 6.9002 7.2161 7.2161 7.4057 7.4057 7.8138 7.8138 7.8479 7.8479 8.0382 8.0382 8.6917 8.6917 9.0875 9.0875 9.2844 9.2844 9.3519 9.3519 9.9474 9.9474 10.1266 10.1266 11.3900 11.3900 11.5224 11.5224 11.6697 11.6697 12.2256 12.2256 k = 0.4127 0.4399-0.0000 ( 3146 PWs) bands (ev): -0.3179 -0.3179 0.1354 0.1354 1.4351 1.4351 5.4335 5.4335 6.3334 6.3334 6.5071 6.5071 6.8857 6.8857 7.1441 7.1441 7.4228 7.4228 7.8118 7.8118 7.8454 7.8454 8.0251 8.0251 8.7215 8.7215 9.1004 9.1004 9.2644 9.2644 9.3556 9.3556 9.9224 9.9224 10.1507 10.1507 11.3822 11.3822 11.5174 11.5174 11.7180 11.7180 12.1650 12.1650 k = 0.4048 0.4536-0.0000 ( 3140 PWs) bands (ev): -0.2848 -0.2848 0.1559 0.1559 1.3401 1.3401 5.5252 5.5252 6.3396 6.3396 6.5214 6.5214 6.8702 6.8702 7.0693 7.0693 7.4415 7.4415 7.8077 7.8077 7.8429 7.8429 8.0129 8.0129 8.7518 8.7518 9.1142 9.1142 9.2443 9.2443 9.3586 9.3586 9.8974 9.8974 10.1745 10.1745 11.3771 11.3771 11.5123 11.5123 11.7693 11.7693 12.1027 12.1027 k = 0.3968 0.4674-0.0000 ( 3140 PWs) bands (ev): -0.2489 -0.2489 0.1766 0.1766 1.2448 1.2448 5.6176 5.6176 6.3458 6.3458 6.5367 6.5367 6.8534 6.8534 6.9921 6.9921 7.4617 7.4617 7.8013 7.8013 7.8402 7.8402 8.0016 8.0016 8.7823 8.7823 9.1290 9.1290 9.2242 9.2242 9.3605 9.3605 9.8730 9.8730 10.1973 10.1973 11.3752 11.3752 11.5071 11.5071 11.8233 11.8233 12.0397 12.0397 k = 0.3889 0.4811-0.0000 ( 3142 PWs) bands (ev): -0.2101 -0.2101 0.1970 0.1970 1.1505 1.1505 5.7099 5.7099 6.3520 6.3520 6.5531 6.5531 6.8353 6.8353 6.9132 6.9132 7.4832 7.4832 7.7924 7.7924 7.8375 7.8375 7.9914 7.9914 8.8128 8.8128 9.1443 9.1443 9.2043 9.2043 9.3607 9.3607 9.8499 9.8499 10.2185 10.2185 11.3774 11.3774 11.5020 11.5020 11.8793 11.8793 11.9772 11.9772 k = 0.3810 0.4949-0.0000 ( 3138 PWs) bands (ev): -0.1686 -0.1686 0.2157 0.2157 1.0590 1.0590 5.8015 5.8015 6.3580 6.3580 6.5704 6.5704 6.8127 6.8127 6.8366 6.8366 7.5061 7.5061 7.7812 7.7812 7.8349 7.8349 7.9824 7.9824 8.8432 8.8432 9.1587 9.1587 9.1863 9.1863 9.3589 9.3589 9.8288 9.8288 10.2377 10.2377 11.3844 11.3844 11.4973 11.4973 11.9084 11.9084 11.9449 11.9449 k = 0.3730 0.5086-0.0000 ( 3142 PWs) bands (ev): -0.1243 -0.1243 0.2310 0.2310 0.9722 0.9722 5.8918 5.8918 6.3636 6.3636 6.5886 6.5886 6.7472 6.7472 6.8010 6.8010 7.5301 7.5301 7.7674 7.7674 7.8326 7.8326 7.9744 7.9744 8.8731 8.8731 9.1564 9.1564 9.1855 9.1855 9.3546 9.3546 9.8103 9.8103 10.2543 10.2543 11.3965 11.3965 11.4930 11.4930 11.8506 11.8506 12.0032 12.0032 k = 0.3651 0.5224-0.0000 ( 3146 PWs) bands (ev): -0.0772 -0.0772 0.2401 0.2401 0.8934 0.8934 5.9803 5.9803 6.3689 6.3689 6.6070 6.6070 6.6668 6.6668 6.7800 6.7800 7.5552 7.5552 7.7511 7.7511 7.8305 7.8305 7.9679 7.9679 8.9025 8.9025 9.1376 9.1376 9.2017 9.2017 9.3472 9.3472 9.7946 9.7946 10.2681 10.2681 11.4143 11.4143 11.4894 11.4894 11.7917 11.7917 12.0669 12.0669 k = 0.3571 0.5361-0.0000 ( 3138 PWs) bands (ev): -0.0273 -0.0273 0.2391 0.2391 0.8267 0.8267 6.0662 6.0662 6.3737 6.3737 6.5821 6.5821 6.6303 6.6303 6.7591 6.7591 7.5812 7.5812 7.7323 7.7323 7.8288 7.8288 7.9627 7.9627 8.9309 8.9309 9.1166 9.1166 9.2207 9.2207 9.3366 9.3366 9.7824 9.7824 10.2789 10.2789 11.4373 11.4373 11.4871 11.4871 11.7353 11.7353 12.1332 12.1332 k = 0.3492 0.5499-0.0000 ( 3138 PWs) bands (ev): 0.0252 0.0252 0.2236 0.2236 0.7768 0.7768 6.1482 6.1482 6.3776 6.3776 6.5036 6.5036 6.6500 6.6500 6.7377 6.7377 7.6077 7.6077 7.7111 7.7111 7.8274 7.8274 7.9587 7.9587 8.9573 8.9573 9.0954 9.0954 9.2408 9.2408 9.3226 9.3226 9.7739 9.7739 10.2864 10.2864 11.4621 11.4621 11.4887 11.4887 11.6830 11.6830 12.2018 12.2018 k = 0.3413 0.5636-0.0000 ( 3138 PWs) bands (ev): 0.0805 0.0805 0.1901 0.1901 0.7473 0.7473 6.2222 6.2222 6.3789 6.3789 6.4321 6.4321 6.6714 6.6714 6.7158 6.7158 7.6345 7.6345 7.6878 7.6878 7.8266 7.8266 7.9563 7.9563 8.9791 8.9791 9.0769 9.0769 9.2614 9.2614 9.3054 9.3054 9.7689 9.7689 10.2908 10.2908 11.4739 11.4739 11.5061 11.5061 11.6383 11.6383 12.2722 12.2722 k = 0.3333 0.5774-0.0000 ( 3138 PWs) bands (ev): 0.1353 0.1353 0.1418 0.1418 0.7381 0.7381 6.2632 6.2632 6.3704 6.3704 6.4008 6.4008 6.6935 6.6935 6.6937 6.6937 7.6575 7.6575 7.6660 7.6660 7.8263 7.8263 7.9555 7.9555 8.9890 8.9890 9.0682 9.0682 9.2783 9.2783 9.2896 9.2896 9.7674 9.7674 10.2922 10.2922 11.4750 11.4750 11.5219 11.5219 11.6161 11.6161 12.3351 12.3351 k = 0.3333 0.5774-0.0000 ( 3138 PWs) bands (ev): 0.1353 0.1353 0.1418 0.1418 0.7381 0.7381 6.2632 6.2632 6.3704 6.3704 6.4008 6.4008 6.6935 6.6935 6.6937 6.6937 7.6575 7.6575 7.6660 7.6660 7.8263 7.8263 7.9555 7.9555 8.9890 8.9890 9.0682 9.0682 9.2783 9.2783 9.2896 9.2896 9.7674 9.7674 10.2922 10.2922 11.4750 11.4750 11.5219 11.5219 11.6161 11.6161 12.3351 12.3351 k = 0.3254 0.5636-0.0000 ( 3138 PWs) bands (ev): 0.0727 0.0727 0.1993 0.1993 0.7458 0.7458 6.2226 6.2226 6.3837 6.3837 6.4270 6.4270 6.6710 6.6710 6.7163 6.7163 7.6337 7.6337 7.6885 7.6885 7.8267 7.8267 7.9564 7.9564 8.9787 8.9787 9.0773 9.0773 9.2598 9.2598 9.3071 9.3071 9.7688 9.7688 10.2909 10.2909 11.4746 11.4746 11.5040 11.5040 11.6395 11.6395 12.2632 12.2632 k = 0.3175 0.5499-0.0000 ( 3138 PWs) bands (ev): -0.0028 -0.0028 0.2625 0.2625 0.7661 0.7661 6.1517 6.1517 6.3888 6.3888 6.4892 6.4892 6.6481 6.6481 6.7396 6.7396 7.6043 7.6043 7.7138 7.7138 7.8276 7.8276 7.9591 7.9591 8.9547 8.9547 9.0978 9.0978 9.2344 9.2344 9.3300 9.3300 9.7729 9.7729 10.2872 10.2872 11.4659 11.4659 11.4786 11.4786 11.6888 11.6888 12.1729 12.1729 k = 0.3095 0.5361-0.0000 ( 3146 PWs) bands (ev): -0.0846 -0.0846 0.3284 0.3284 0.7951 0.7951 6.0768 6.0768 6.3906 6.3906 6.5561 6.5561 6.6258 6.6258 6.7631 6.7631 7.5732 7.5732 7.7377 7.7377 7.8294 7.8294 7.9639 7.9639 8.9244 8.9244 9.1222 9.1222 9.2068 9.2068 9.3533 9.3533 9.7791 9.7791 10.2815 10.2815 11.4320 11.4320 11.4774 11.4774 11.7482 11.7482 12.0800 12.0800 k = 0.3016 0.5224-0.0000 ( 3142 PWs) bands (ev): -0.1698 -0.1698 0.3969 0.3969 0.8303 0.8303 6.0022 6.0022 6.3913 6.3913 6.5962 6.5962 6.6291 6.6291 6.7870 6.7870 7.5407 7.5407 7.7596 7.7596 7.8321 7.8321 7.9709 7.9709 8.8906 8.8906 9.1482 9.1482 9.1776 9.1776 9.3773 9.3773 9.7872 9.7872 10.2742 10.2742 11.3984 11.3984 11.4787 11.4787 11.8137 11.8137 11.9871 11.9871 k = 0.2937 0.5086-0.0000 ( 3152 PWs) bands (ev): -0.2569 -0.2569 0.4679 0.4679 0.8700 0.8700 5.9291 5.9291 6.3910 6.3910 6.5756 6.5756 6.6907 6.6907 6.8111 6.8111 7.5069 7.5069 7.7789 7.7789 7.8357 7.8357 7.9801 7.9801 8.8539 8.8539 9.1473 9.1473 9.1748 9.1748 9.4018 9.4018 9.7967 9.7967 10.2654 10.2654 11.3676 11.3676 11.4807 11.4807 11.8765 11.8765 11.9022 11.9022 k = 0.2857 0.4949-0.0000 ( 3152 PWs) bands (ev): -0.3445 -0.3445 0.5415 0.5415 0.9128 0.9128 5.8583 5.8583 6.3899 6.3899 6.5523 6.5523 6.7521 6.7521 6.8353 6.8353 7.4723 7.4723 7.7953 7.7953 7.8403 7.8403 7.9915 7.9915 8.8151 8.8151 9.1162 9.1162 9.2019 9.2019 9.4266 9.4266 9.8073 9.8073 10.2557 10.2557 11.3402 11.3402 11.4834 11.4834 11.8017 11.8017 11.9600 11.9600 k = 0.2778 0.4811-0.0000 ( 3142 PWs) bands (ev): -0.4319 -0.4319 0.6175 0.6175 0.9581 0.9581 5.7901 5.7901 6.3880 6.3880 6.5287 6.5287 6.8106 6.8106 6.8597 6.8597 7.4371 7.4371 7.8088 7.8088 7.8461 7.8461 8.0048 8.0048 8.7746 8.7746 9.0845 9.0845 9.2293 9.2293 9.4518 9.4518 9.8187 9.8187 10.2453 10.2453 11.3161 11.3161 11.4867 11.4867 11.7127 11.7127 12.0365 12.0365 k = 0.2698 0.4674-0.0000 ( 3134 PWs) bands (ev): -0.5186 -0.5186 0.6959 0.6959 1.0051 1.0051 5.7249 5.7249 6.3854 6.3854 6.5050 6.5050 6.8649 6.8649 6.8845 6.8845 7.4018 7.4018 7.8196 7.8196 7.8530 7.8530 8.0193 8.0193 8.7324 8.7324 9.0526 9.0526 9.2573 9.2573 9.4772 9.4772 9.8309 9.8309 10.2342 10.2342 11.2954 11.2954 11.4904 11.4904 11.6253 11.6253 12.1155 12.1155 k = 0.2619 0.4536-0.0000 ( 3134 PWs) bands (ev): -0.6043 -0.6043 0.7768 0.7768 1.0533 1.0533 5.6630 5.6630 6.3818 6.3818 6.4814 6.4814 6.9048 6.9048 6.9197 6.9197 7.3669 7.3669 7.8281 7.8281 7.8608 7.8608 8.0343 8.0343 8.6888 8.6888 9.0205 9.0205 9.2859 9.2859 9.5028 9.5028 9.8435 9.8435 10.2227 10.2227 11.2779 11.2779 11.4944 11.4944 11.5398 11.5398 12.1963 12.1963 k = 0.2540 0.4399-0.0000 ( 3138 PWs) bands (ev): -0.6885 -0.6885 0.8599 0.8599 1.1023 1.1023 5.6046 5.6046 6.3774 6.3774 6.4579 6.4579 6.9294 6.9294 6.9651 6.9651 7.3333 7.3333 7.8347 7.8347 7.8697 7.8697 8.0489 8.0489 8.6440 8.6440 8.9884 8.9884 9.3151 9.3151 9.5285 9.5285 9.8564 9.8564 10.2108 10.2108 11.2633 11.2633 11.4562 11.4562 11.4987 11.4987 12.2784 12.2784 k = 0.2460 0.4261-0.0000 ( 3140 PWs) bands (ev): -0.7711 -0.7711 0.9454 0.9454 1.1518 1.1518 5.5501 5.5501 6.3722 6.3722 6.4346 6.4346 6.9524 6.9524 7.0054 7.0054 7.3026 7.3026 7.8397 7.8397 7.8797 7.8797 8.0625 8.0625 8.5985 8.5985 8.9564 8.9564 9.3449 9.3449 9.5542 9.5542 9.8695 9.8695 10.1988 10.1988 11.2517 11.2517 11.3750 11.3750 11.5030 11.5030 12.3613 12.3613 k = 0.2381 0.4124-0.0000 ( 3130 PWs) bands (ev): -0.8518 -0.8518 1.0331 1.0331 1.2015 1.2015 5.4997 5.4997 6.3661 6.3661 6.4116 6.4116 6.9748 6.9748 7.0370 7.0370 7.2777 7.2777 7.8435 7.8435 7.8909 7.8909 8.0745 8.0745 8.5525 8.5525 8.9248 8.9248 9.3756 9.3756 9.5800 9.5800 9.8827 9.8827 10.1866 10.1866 11.2425 11.2425 11.2962 11.2962 11.5073 11.5073 12.4448 12.4448 k = 0.2302 0.3986-0.0000 ( 3130 PWs) bands (ev): -0.9307 -0.9307 1.1229 1.1229 1.2509 1.2509 5.4536 5.4536 6.3591 6.3591 6.3890 6.3890 6.9964 6.9964 7.0554 7.0554 7.2631 7.2631 7.8460 7.8460 7.9035 7.9035 8.0842 8.0842 8.5060 8.5060 8.8935 8.8935 9.4068 9.4068 9.6057 9.6057 9.8959 9.8959 10.1744 10.1744 11.2181 11.2181 11.2373 11.2373 11.5113 11.5113 12.5286 12.5286 k = 0.2222 0.3849-0.0000 ( 3130 PWs) bands (ev): -1.0074 -1.0074 1.2149 1.2149 1.3000 1.3000 5.4120 5.4120 6.3507 6.3507 6.3672 6.3672 7.0171 7.0171 7.0564 7.0564 7.2631 7.2631 7.8473 7.8473 7.9174 7.9174 8.0913 8.0913 8.4595 8.4595 8.8628 8.8628 9.4386 9.4386 9.6313 9.6313 9.9090 9.9090 10.1622 10.1622 11.1445 11.1445 11.2318 11.2318 11.5148 11.5148 12.6123 12.6123 k = 0.2143 0.3712-0.0000 ( 3122 PWs) bands (ev): -1.0820 -1.0820 1.3088 1.3088 1.3483 1.3483 5.3752 5.3752 6.3388 6.3388 6.3484 6.3484 7.0363 7.0363 7.0422 7.0422 7.2766 7.2766 7.8478 7.8478 7.9327 7.9327 8.0954 8.0954 8.4132 8.4132 8.8326 8.8326 9.4709 9.4709 9.6567 9.6567 9.9219 9.9219 10.1501 10.1501 11.0727 11.0727 11.2289 11.2289 11.5175 11.5175 12.6956 12.6956 k = 0.2063 0.3574-0.0000 ( 3124 PWs) bands (ev): -1.1543 -1.1543 1.3948 1.3948 1.4053 1.4053 5.3433 5.3433 6.3201 6.3201 6.3360 6.3360 7.0158 7.0158 7.0564 7.0564 7.2978 7.2978 7.8475 7.8475 7.9492 7.9492 8.0960 8.0960 8.3672 8.3672 8.8030 8.8030 9.5033 9.5033 9.6819 9.6819 9.9346 9.9346 10.1380 10.1380 11.0032 11.0032 11.2273 11.2273 11.5193 11.5193 12.7778 12.7778 k = 0.1984 0.3437-0.0000 ( 3128 PWs) bands (ev): -1.2244 -1.2244 1.4412 1.4412 1.5026 1.5026 5.3165 5.3165 6.2994 6.2994 6.3250 6.3250 6.9848 6.9848 7.0744 7.0744 7.3222 7.3222 7.8463 7.8463 7.9670 7.9670 8.0930 8.0930 8.3218 8.3218 8.7741 8.7741 9.5357 9.5357 9.7068 9.7068 9.9469 9.9469 10.1260 10.1260 10.9362 10.9362 11.2269 11.2269 11.5198 11.5198 12.8570 12.8570 k = 0.1905 0.3299-0.0000 ( 3120 PWs) bands (ev): -1.2920 -1.2920 1.4856 1.4856 1.6020 1.6020 5.2949 5.2949 6.2790 6.2790 6.3135 6.3135 6.9512 6.9512 7.0915 7.0915 7.3471 7.3471 7.8447 7.8447 7.9860 7.9860 8.0861 8.0861 8.2772 8.2772 8.7460 8.7460 9.5678 9.5678 9.7313 9.7313 9.9589 9.9589 10.1143 10.1143 10.8717 10.8717 11.2273 11.2273 11.5186 11.5186 12.9002 12.9002 k = 0.1825 0.3162-0.0000 ( 3118 PWs) bands (ev): -1.3572 -1.3572 1.5283 1.5283 1.7031 1.7031 5.2787 5.2787 6.2588 6.2588 6.3011 6.3011 6.9163 6.9163 7.1076 7.1076 7.3711 7.3711 7.8426 7.8426 8.0059 8.0059 8.0752 8.0752 8.2336 8.2336 8.7186 8.7186 9.5992 9.5992 9.7554 9.7554 9.9704 9.9704 10.1026 10.1026 10.8098 10.8098 11.2281 11.2281 11.5154 11.5154 12.8455 12.8455 k = 0.1746 0.3024-0.0000 ( 3114 PWs) bands (ev): -1.4198 -1.4198 1.5690 1.5690 1.8057 1.8057 5.2678 5.2678 6.2392 6.2392 6.2878 6.2878 6.8810 6.8810 7.1228 7.1228 7.3934 7.3934 7.8400 7.8400 8.0267 8.0267 8.0602 8.0602 8.1912 8.1912 8.6922 8.6922 9.6296 9.6296 9.7790 9.7790 9.9813 9.9813 10.0914 10.0914 10.7505 10.7505 11.2292 11.2292 11.5096 11.5096 12.7854 12.7854 k = 0.1667 0.2887-0.0000 ( 3116 PWs) bands (ev): -1.4800 -1.4800 1.6076 1.6076 1.9096 1.9096 5.2624 5.2624 6.2202 6.2202 6.2734 6.2734 6.8458 6.8458 7.1369 7.1369 7.4136 7.4136 7.8369 7.8369 8.0396 8.0396 8.0495 8.0495 8.1501 8.1501 8.6665 8.6665 9.6587 9.6587 9.8021 9.8021 9.9914 9.9914 10.0805 10.0805 10.6937 10.6937 11.2301 11.2301 11.5009 11.5009 12.7247 12.7247 k = 0.1587 0.2749-0.0000 ( 3124 PWs) bands (ev): -1.5375 -1.5375 1.6439 1.6439 2.0147 2.0147 5.2623 5.2623 6.2018 6.2018 6.2577 6.2577 6.8110 6.8110 7.1500 7.1500 7.4314 7.4314 7.8336 7.8336 8.0165 8.0165 8.0711 8.0711 8.1107 8.1107 8.6419 8.6419 9.6861 9.6861 9.8245 9.8245 10.0005 10.0005 10.0705 10.0705 10.6396 10.6396 11.2308 11.2308 11.4887 11.4887 12.6640 12.6640 k = 0.1508 0.2612-0.0000 ( 3128 PWs) bands (ev): -1.5925 -1.5925 1.6778 1.6778 2.1208 2.1208 5.2675 5.2675 6.1840 6.1840 6.2409 6.2409 6.7770 6.7770 7.1621 7.1621 7.4466 7.4466 7.8299 7.8299 7.9886 7.9886 8.0727 8.0727 8.0940 8.0940 8.6182 8.6182 9.7115 9.7115 9.8462 9.8462 10.0078 10.0078 10.0618 10.0618 10.5881 10.5881 11.2311 11.2311 11.4726 11.4726 12.6037 12.6037 k = 0.1429 0.2474-0.0000 ( 3132 PWs) bands (ev): -1.6448 -1.6448 1.7092 1.7092 2.2277 2.2277 5.2778 5.2778 6.1668 6.1668 6.2228 6.2228 6.7440 6.7440 7.1734 7.1734 7.4590 7.4590 7.8259 7.8259 7.9565 7.9565 8.0370 8.0370 8.1169 8.1169 8.5955 8.5955 9.7348 9.7348 9.8671 9.8671 10.0120 10.0120 10.0559 10.0559 10.5394 10.5394 11.2310 11.2310 11.4522 11.4522 12.5442 12.5442 k = 0.1349 0.2337-0.0000 ( 3120 PWs) bands (ev): -1.6944 -1.6944 1.7382 1.7382 2.3351 2.3351 5.2930 5.2930 6.1504 6.1504 6.2033 6.2033 6.7122 6.7122 7.1837 7.1837 7.4685 7.4685 7.8217 7.8217 7.9210 7.9210 8.0032 8.0032 8.1402 8.1402 8.5739 8.5739 9.7561 9.7561 9.8871 9.8871 10.0117 10.0117 10.0545 10.0545 10.4935 10.4935 11.2305 11.2305 11.4271 11.4271 12.4862 12.4862 k = 0.1270 0.2199-0.0000 ( 3132 PWs) bands (ev): -1.7413 -1.7413 1.7645 1.7645 2.4428 2.4428 5.3128 5.3128 6.1345 6.1345 6.1823 6.1823 6.6815 6.6815 7.1932 7.1932 7.4748 7.4748 7.8165 7.8165 7.8826 7.8826 7.9716 7.9716 8.1632 8.1632 8.5533 8.5533 9.7748 9.7748 9.9059 9.9059 10.0068 10.0068 10.0572 10.0572 10.4502 10.4502 11.2293 11.2293 11.3974 11.3974 12.4311 12.4311 k = 0.1190 0.2062-0.0000 ( 3136 PWs) bands (ev): -1.7854 -1.7854 1.7885 1.7885 2.5504 2.5504 5.3368 5.3368 6.1191 6.1191 6.1600 6.1600 6.6525 6.6525 7.2018 7.2018 7.4780 7.4780 7.8079 7.8079 7.8447 7.8447 7.9425 7.9425 8.1860 8.1860 8.5339 8.5339 9.7910 9.7910 9.9234 9.9234 9.9998 9.9998 10.0622 10.0622 10.4098 10.4098 11.2273 11.2273 11.3635 11.3635 12.3810 12.3810 k = 0.1111 0.1925-0.0000 ( 3138 PWs) bands (ev): -1.8269 -1.8269 1.8099 1.8099 2.6576 2.6576 5.3645 5.3645 6.1038 6.1038 6.1367 6.1367 6.6249 6.6249 7.2096 7.2096 7.4778 7.4778 7.7824 7.7824 7.8212 7.8212 7.9161 7.9161 8.2083 8.2083 8.5157 8.5157 9.8050 9.8050 9.9386 9.9386 9.9928 9.9928 10.0680 10.0680 10.3721 10.3721 11.2238 11.2238 11.3267 11.3267 12.3370 12.3370 k = 0.1032 0.1787-0.0000 ( 3136 PWs) bands (ev): -1.8655 -1.8655 1.8291 1.8291 2.7639 2.7639 5.3955 5.3955 6.0874 6.0874 6.1135 6.1135 6.5992 6.5992 7.2166 7.2166 7.4742 7.4742 7.7398 7.7398 7.8132 7.8132 7.8926 7.8926 8.2299 8.2299 8.4986 8.4986 9.8167 9.8167 9.9493 9.9493 9.9886 9.9886 10.0739 10.0739 10.3373 10.3373 11.2162 11.2162 11.2905 11.2905 12.2996 12.2996 k = 0.0952 0.1650-0.0000 ( 3119 PWs) bands (ev): -1.9013 -1.9013 1.8461 1.8461 2.8688 2.8688 5.4290 5.4290 6.0670 6.0670 6.0934 6.0934 6.5754 6.5754 7.2228 7.2228 7.4674 7.4674 7.6929 7.6929 7.8088 7.8088 7.8722 7.8722 8.2507 8.2507 8.4829 8.4829 9.8264 9.8264 9.9518 9.9518 9.9916 9.9916 10.0795 10.0795 10.3055 10.3055 11.1971 11.1971 11.2633 11.2633 12.2684 12.2684 k = 0.0873 0.1512-0.0000 ( 3119 PWs) bands (ev): -1.9344 -1.9344 1.8609 1.8609 2.9717 2.9717 5.4645 5.4645 6.0407 6.0407 6.0781 6.0781 6.5534 6.5534 7.2282 7.2282 7.4574 7.4574 7.6453 7.6453 7.8048 7.8048 7.8546 7.8546 8.2703 8.2703 8.4683 8.4683 9.8341 9.8341 9.9469 9.9469 10.0008 10.0008 10.0847 10.0847 10.2764 10.2764 11.1617 11.1617 11.2510 11.2510 12.2429 12.2429 k = 0.0794 0.1375-0.0000 ( 3115 PWs) bands (ev): -1.9646 -1.9646 1.8738 1.8738 3.0720 3.0720 5.5011 5.5011 6.0105 6.0105 6.0661 6.0661 6.5334 6.5334 7.2327 7.2327 7.4448 7.4448 7.5982 7.5982 7.8012 7.8012 7.8400 7.8400 8.2887 8.2887 8.4551 8.4551 9.8401 9.8401 9.9392 9.9392 10.0120 10.0120 10.0892 10.0892 10.2503 10.2503 11.1181 11.1181 11.2470 11.2470 12.2224 12.2224 k = 0.0714 0.1237-0.0000 ( 3119 PWs) bands (ev): -1.9920 -1.9920 1.8849 1.8849 3.1687 3.1687 5.5380 5.5380 5.9780 5.9780 6.0559 6.0559 6.5155 6.5155 7.2363 7.2363 7.4299 7.4299 7.5530 7.5530 7.7978 7.7978 7.8279 7.8279 8.3058 8.3058 8.4432 8.4432 9.8445 9.8445 9.9305 9.9305 10.0231 10.0231 10.0930 10.0930 10.2271 10.2271 11.0725 11.0725 11.2463 11.2463 12.2061 12.2061 k = 0.0635 0.1100-0.0000 ( 3121 PWs) bands (ev): -2.0165 -2.0165 1.8943 1.8943 3.2610 3.2610 5.5743 5.5743 5.9444 5.9444 6.0470 6.0470 6.4998 6.4998 7.2389 7.2389 7.4133 7.4133 7.5108 7.5108 7.7945 7.7945 7.8184 7.8184 8.3211 8.3211 8.4327 8.4327 9.8475 9.8475 9.9219 9.9219 10.0336 10.0336 10.0958 10.0958 10.2070 10.2070 11.0278 11.0278 11.2470 11.2470 12.1933 12.1933 k = 0.0556 0.0962-0.0000 ( 3129 PWs) bands (ev): -2.0382 -2.0382 1.9022 1.9022 3.3477 3.3477 5.6088 5.6088 5.9105 5.9105 6.0393 6.0393 6.4863 6.4863 7.2404 7.2404 7.3956 7.3956 7.4727 7.4727 7.7912 7.7912 7.8109 7.8109 8.3346 8.3346 8.4237 8.4237 9.8491 9.8491 9.9139 9.9139 10.0430 10.0430 10.0976 10.0976 10.1901 10.1901 10.9857 10.9857 11.2484 11.2484 12.1834 12.1834 k = 0.0476 0.0825-0.0000 ( 3131 PWs) bands (ev): -2.0570 -2.0570 1.9088 1.9088 3.4274 3.4274 5.6405 5.6405 5.8776 5.8776 6.0327 6.0327 6.4750 6.4750 7.2406 7.2406 7.3778 7.3778 7.4396 7.4396 7.7880 7.7880 7.8055 7.8055 8.3460 8.3460 8.4165 8.4165 9.8494 9.8494 9.9070 9.9070 10.0514 10.0514 10.0983 10.0983 10.1765 10.1765 10.9474 10.9474 11.2502 11.2502 12.1759 12.1759 k = 0.0397 0.0687-0.0000 ( 3125 PWs) bands (ev): -2.0729 -2.0729 1.9142 1.9142 3.4989 3.4989 5.6681 5.6681 5.8473 5.8473 6.0271 6.0271 6.4659 6.4659 7.2393 7.2393 7.3608 7.3608 7.4120 7.4120 7.7851 7.7851 7.8015 7.8015 8.3552 8.3552 8.4111 8.4111 9.8488 9.8488 9.9013 9.9013 10.0585 10.0585 10.0978 10.0978 10.1663 10.1663 10.9138 10.9138 11.2521 11.2521 12.1702 12.1702 k = 0.0317 0.0550-0.0000 ( 3137 PWs) bands (ev): -2.0859 -2.0859 1.9183 1.9183 3.5605 3.5605 5.6899 5.6899 5.8215 5.8215 6.0226 6.0226 6.4587 6.4587 7.2366 7.2366 7.3460 7.3460 7.3900 7.3900 7.7824 7.7824 7.7985 7.7985 8.3617 8.3617 8.4075 8.4075 9.8473 9.8473 9.8968 9.8968 10.0642 10.0642 10.0962 10.0962 10.1591 10.1591 10.8854 10.8854 11.2539 11.2539 12.1660 12.1660 k = 0.0238 0.0412-0.0000 ( 3143 PWs) bands (ev): -2.0961 -2.0961 1.9215 1.9215 3.6107 3.6107 5.7042 5.7042 5.8030 5.8030 6.0190 6.0190 6.4534 6.4534 7.2329 7.2329 7.3343 7.3343 7.3732 7.3732 7.7803 7.7803 7.7965 7.7965 8.3657 8.3657 8.4059 8.4059 9.8455 9.8455 9.8937 9.8937 10.0687 10.0687 10.0942 10.0942 10.1544 10.1544 10.8629 10.8629 11.2555 11.2555 12.1630 12.1630 k = 0.0159 0.0275-0.0000 ( 3155 PWs) bands (ev): -2.1033 -2.1033 1.9237 1.9237 3.6478 3.6478 5.7101 5.7101 5.7933 5.7933 6.0164 6.0164 6.4498 6.4498 7.2290 7.2290 7.3263 7.3263 7.3614 7.3614 7.7786 7.7786 7.7951 7.7951 8.3677 8.3677 8.4056 8.4056 9.8437 9.8437 9.8916 9.8916 10.0717 10.0717 10.0923 10.0923 10.1516 10.1516 10.8466 10.8466 11.2566 11.2566 12.1610 12.1610 k = 0.0079 0.0137-0.0000 ( 3155 PWs) bands (ev): -2.1076 -2.1076 1.9250 1.9250 3.6707 3.6707 5.7104 5.7104 5.7903 5.7903 6.0150 6.0150 6.4477 6.4477 7.2261 7.2261 7.3217 7.3217 7.3544 7.3544 7.7777 7.7777 7.7943 7.7943 8.3685 8.3685 8.4058 8.4058 9.8425 9.8425 9.8905 9.8905 10.0736 10.0736 10.0911 10.0911 10.1502 10.1502 10.8368 10.8368 11.2573 11.2573 12.1598 12.1598 k = 0.0000 0.0000 0.0000 ( 3167 PWs) bands (ev): -2.1091 -2.1091 1.9254 1.9254 3.6784 3.6784 5.7098 5.7098 5.7899 5.7899 6.0143 6.0143 6.4470 6.4470 7.2250 7.2250 7.3202 7.3202 7.3521 7.3521 7.7773 7.7773 7.7941 7.7941 8.3686 8.3686 8.4058 8.4058 9.8420 9.8420 9.8902 9.8902 10.0740 10.0740 10.0906 10.0906 10.1497 10.1497 10.8335 10.8335 11.2575 11.2575 12.1595 12.1595 k = 0.0000 0.0000 0.0000 ( 3167 PWs) bands (ev): -2.1091 -2.1091 1.9254 1.9254 3.6784 3.6784 5.7098 5.7098 5.7899 5.7899 6.0143 6.0143 6.4470 6.4470 7.2250 7.2250 7.3202 7.3202 7.3521 7.3521 7.7773 7.7773 7.7941 7.7941 8.3686 8.3686 8.4058 8.4058 9.8420 9.8420 9.8902 9.8902 10.0740 10.0740 10.0906 10.0906 10.1497 10.1497 10.8335 10.8335 11.2575 11.2575 12.1595 12.1595 k = 0.0000 0.0000 0.0158 ( 3155 PWs) bands (ev): -2.1077 -2.1077 1.9246 1.9246 3.6767 3.6767 5.7114 5.7114 5.7915 5.7915 6.0177 6.0177 6.4370 6.4370 7.2292 7.2292 7.3226 7.3226 7.3521 7.3521 7.7774 7.7774 7.7942 7.7942 8.3690 8.3690 8.4061 8.4061 9.8420 9.8420 9.8902 9.8902 10.0741 10.0741 10.0905 10.0905 10.1496 10.1496 10.8334 10.8334 11.2576 11.2576 12.1563 12.1563 k = 0.0000 0.0000 0.0316 ( 3155 PWs) bands (ev): -2.1034 -2.1034 1.9222 1.9222 3.6715 3.6715 5.7163 5.7163 5.7963 5.7963 6.0274 6.0274 6.4078 6.4078 7.2399 7.2399 7.3307 7.3307 7.3522 7.3522 7.7775 7.7775 7.7943 7.7943 8.3697 8.3697 8.4062 8.4062 9.8420 9.8420 9.8902 9.8902 10.0738 10.0738 10.0900 10.0900 10.1491 10.1491 10.8333 10.8333 11.2576 11.2576 12.1467 12.1467 k = 0.0000 0.0000 0.0475 ( 3155 PWs) bands (ev): -2.0963 -2.0963 1.9182 1.9182 3.6631 3.6631 5.7244 5.7244 5.8043 5.8043 6.0435 6.0435 6.3623 6.3623 7.2527 7.2527 7.3464 7.3464 7.3524 7.3524 7.7777 7.7777 7.7946 7.7946 8.3709 8.3709 8.4066 8.4066 9.8420 9.8420 9.8902 9.8902 10.0735 10.0735 10.0893 10.0893 10.1484 10.1484 10.8329 10.8329 11.2576 11.2576 12.1307 12.1307 k = 0.0000 0.0000 0.0633 ( 3137 PWs) bands (ev): -2.0863 -2.0863 1.9126 1.9126 3.6515 3.6515 5.7357 5.7357 5.8155 5.8155 6.0658 6.0658 6.3038 6.3038 7.2637 7.2637 7.3526 7.3526 7.3706 7.3706 7.7781 7.7781 7.7951 7.7951 8.3728 8.3728 8.4072 8.4072 9.8420 9.8420 9.8902 9.8902 10.0732 10.0732 10.0883 10.0883 10.1475 10.1475 10.8322 10.8322 11.2575 11.2575 12.1083 12.1083 k = 0.0000 0.0000 0.0791 ( 3131 PWs) bands (ev): -2.0734 -2.0734 1.9052 1.9052 3.6370 3.6370 5.7501 5.7501 5.8299 5.8299 6.0941 6.0941 6.2353 6.2353 7.2716 7.2716 7.3529 7.3529 7.4020 7.4020 7.7785 7.7785 7.7956 7.7956 8.3750 8.3750 8.4078 8.4078 9.8420 9.8420 9.8902 9.8902 10.0726 10.0726 10.0870 10.0870 10.1462 10.1462 10.8309 10.8309 11.2575 11.2575 12.0796 12.0796 k = 0.0000 0.0000 0.0949 ( 3113 PWs) bands (ev): -2.0578 -2.0578 1.8959 1.8959 3.6198 3.6198 5.7678 5.7678 5.8474 5.8474 6.1280 6.1280 6.1591 6.1591 7.2774 7.2774 7.3532 7.3532 7.4376 7.4376 7.7790 7.7790 7.7963 7.7963 8.3778 8.3778 8.4086 8.4086 9.8420 9.8420 9.8903 9.8903 10.0720 10.0720 10.0856 10.0856 10.1448 10.1448 10.8285 10.8285 11.2575 11.2575 12.0447 12.0447 k = 0.0000 0.0000 0.1107 ( 3113 PWs) bands (ev): -2.0393 -2.0393 1.8846 1.8846 3.6002 3.6002 5.7886 5.7886 5.8681 5.8681 6.0775 6.0775 6.1674 6.1674 7.2818 7.2818 7.3536 7.3536 7.4750 7.4750 7.7795 7.7795 7.7970 7.7970 8.3809 8.3809 8.4095 8.4095 9.8420 9.8420 9.8903 9.8903 10.0711 10.0711 10.0838 10.0838 10.1430 10.1430 10.8247 10.8247 11.2574 11.2574 12.0035 12.0035 k = 0.0000 0.0000 0.1265 ( 3113 PWs) bands (ev): -2.0180 -2.0180 1.8712 1.8712 3.5786 3.5786 5.8124 5.8124 5.8918 5.8918 5.9922 5.9922 6.2117 6.2117 7.2855 7.2855 7.3540 7.3540 7.5127 7.5127 7.7800 7.7800 7.7979 7.7979 8.3846 8.3846 8.4106 8.4106 9.8420 9.8420 9.8902 9.8902 10.0700 10.0700 10.0816 10.0816 10.1410 10.1410 10.8194 10.8194 11.2572 11.2572 11.9562 11.9562 k = 0.0000 0.0000 0.1424 ( 3119 PWs) bands (ev): -1.9940 -1.9940 1.8556 1.8556 3.5551 3.5551 5.8394 5.8394 5.9043 5.9043 5.9187 5.9187 6.2609 6.2609 7.2890 7.2890 7.3544 7.3544 7.5496 7.5496 7.7806 7.7806 7.7988 7.7988 8.3887 8.3887 8.4118 8.4118 9.8419 9.8419 9.8902 9.8902 10.0689 10.0689 10.0793 10.0793 10.1387 10.1387 10.8120 10.8120 11.2570 11.2570 11.9028 11.9028 k = 0.0000 0.0000 0.1582 ( 3095 PWs) bands (ev): -1.9671 -1.9671 1.8375 1.8375 3.5302 3.5302 5.8152 5.8152 5.8695 5.8695 5.9486 5.9486 6.3145 6.3145 7.2922 7.2922 7.3549 7.3549 7.5852 7.5852 7.7814 7.7814 7.7999 7.7999 8.3934 8.3934 8.4133 8.4133 9.8420 9.8420 9.8903 9.8903 10.0677 10.0677 10.0767 10.0767 10.1362 10.1362 10.8023 10.8023 11.2571 11.2571 11.8437 11.8437 k = 0.0000 0.0000 0.1740 ( 3101 PWs) bands (ev): -1.9375 -1.9375 1.8168 1.8168 3.5041 3.5041 5.7256 5.7256 5.9025 5.9025 5.9815 5.9815 6.3721 6.3721 7.2954 7.2954 7.3553 7.3553 7.6191 7.6191 7.7821 7.7821 7.8011 7.8011 8.3984 8.3984 8.4148 8.4148 9.8419 9.8419 9.8902 9.8902 10.0663 10.0663 10.0740 10.0740 10.1336 10.1336 10.7898 10.7898 11.2567 11.2567 11.7788 11.7788 k = 0.0000 0.0000 0.1898 ( 3113 PWs) bands (ev): -1.9052 -1.9052 1.7933 1.7933 3.4770 3.4770 5.6365 5.6365 5.9385 5.9385 6.0174 6.0174 6.4334 6.4334 7.2985 7.2985 7.3556 7.3556 7.6512 7.6512 7.7827 7.7827 7.8022 7.8022 8.4037 8.4037 8.4165 8.4165 9.8418 9.8418 9.8901 9.8901 10.0648 10.0648 10.0710 10.0710 10.1307 10.1307 10.7742 10.7742 11.2563 11.2563 11.7086 11.7086 k = 0.0000 0.0000 0.2056 ( 3113 PWs) bands (ev): -1.8702 -1.8702 1.7667 1.7667 3.4493 3.4493 5.5486 5.5486 5.9774 5.9774 6.0562 6.0562 6.4982 6.4982 7.3017 7.3017 7.3560 7.3560 7.6815 7.6815 7.7835 7.7835 7.8035 7.8035 8.4097 8.4097 8.4185 8.4185 9.8417 9.8417 9.8900 9.8900 10.0633 10.0633 10.0678 10.0678 10.1277 10.1277 10.7553 10.7553 11.2560 11.2560 11.6331 11.6331 k = 0.0000 0.0000 0.2214 ( 3119 PWs) bands (ev): -1.8325 -1.8325 1.7370 1.7370 3.4212 3.4212 5.4625 5.4625 6.0192 6.0192 6.0979 6.0979 6.5662 6.5662 7.3048 7.3048 7.3563 7.3563 7.7100 7.7100 7.7842 7.7842 7.8048 7.8048 8.4161 8.4161 8.4206 8.4206 9.8415 9.8415 9.8899 9.8899 10.0617 10.0617 10.0645 10.0645 10.1245 10.1245 10.7328 10.7328 11.2556 11.2556 11.5528 11.5528 k = 0.0000 0.0000 0.2373 ( 3119 PWs) bands (ev): -1.7921 -1.7921 1.7040 1.7040 3.3929 3.3929 5.3789 5.3789 6.0638 6.0638 6.1423 6.1423 6.6371 6.6371 7.3080 7.3080 7.3566 7.3566 7.7367 7.7367 7.7850 7.7850 7.8063 7.8063 8.4229 8.4229 8.4231 8.4231 9.8413 9.8413 9.8897 9.8897 10.0600 10.0600 10.0610 10.0610 10.1212 10.1212 10.7066 10.7066 11.2551 11.2551 11.4679 11.4679 k = 0.0000 0.0000 0.2531 ( 3107 PWs) bands (ev): -1.7492 -1.7492 1.6675 1.6675 3.3646 3.3646 5.2983 5.2983 6.1112 6.1112 6.1895 6.1895 6.7107 6.7107 7.3111 7.3111 7.3568 7.3568 7.7617 7.7617 7.7858 7.7858 7.8079 7.8079 8.4258 8.4258 8.4302 8.4302 9.8410 9.8410 9.8894 9.8894 10.0575 10.0575 10.0583 10.0583 10.1178 10.1178 10.6765 10.6765 11.2546 11.2546 11.3790 11.3790 k = 0.0000 0.0000 0.2689 ( 3119 PWs) bands (ev): -1.7037 -1.7037 1.6273 1.6273 3.3366 3.3366 5.2211 5.2211 6.1611 6.1611 6.2392 6.2392 6.7865 6.7865 7.3142 7.3142 7.3569 7.3569 7.7851 7.7851 7.7865 7.7865 7.8094 7.8094 8.4287 8.4287 8.4377 8.4377 9.8406 9.8406 9.8889 9.8889 10.0536 10.0536 10.0566 10.0566 10.1141 10.1141 10.6425 10.6425 11.2541 11.2541 11.2862 11.2862 k = 0.0000 0.0000 0.2847 ( 3119 PWs) bands (ev): -1.6557 -1.6557 1.5834 1.5834 3.3088 3.3088 5.1476 5.1476 6.2137 6.2137 6.2915 6.2915 6.8643 6.8643 7.3173 7.3173 7.3570 7.3570 7.7871 7.7871 7.8071 7.8071 7.8111 7.8111 8.4317 8.4317 8.4455 8.4455 9.8402 9.8402 9.8885 9.8885 10.0500 10.0500 10.0548 10.0548 10.1106 10.1106 10.6048 10.6048 11.1902 11.1902 11.2473 11.2536 k = 0.0000 0.0000 0.3005 ( 3119 PWs) bands (ev): -1.6052 -1.6052 1.5358 1.5358 3.2817 3.2817 5.0783 5.0783 6.2686 6.2686 6.3462 6.3462 6.9438 6.9438 7.3203 7.3203 7.3570 7.3570 7.7877 7.7877 7.8128 7.8128 7.8277 7.8277 8.4350 8.4350 8.4537 8.4537 9.8396 9.8396 9.8879 9.8879 10.0463 10.0463 10.0530 10.0530 10.1071 10.1071 10.5636 10.5636 11.0913 11.0913 11.1471 11.1471 k = 0.0000 0.0000 0.3164 ( 3119 PWs) bands (ev): -1.5523 -1.5523 1.4843 1.4843 3.2552 3.2552 5.0132 5.0132 6.3259 6.3259 6.4032 6.4032 7.0248 7.0248 7.3232 7.3232 7.3569 7.3569 7.7882 7.7882 7.8145 7.8145 7.8471 7.8471 8.4384 8.4384 8.4620 8.4620 9.8389 9.8389 9.8871 9.8871 10.0426 10.0426 10.0512 10.0512 10.1035 10.1035 10.5193 10.5193 10.9901 10.9901 11.0445 11.0445 k = 0.0000 0.0000 0.3322 ( 3119 PWs) bands (ev): -1.4970 -1.4970 1.4291 1.4291 3.2294 3.2294 4.9527 4.9527 6.3854 6.3854 6.4622 6.4622 7.1070 7.1070 7.3260 7.3260 7.3568 7.3568 7.7886 7.7886 7.8163 7.8163 7.8653 7.8653 8.4420 8.4420 8.4705 8.4705 9.8381 9.8381 9.8861 9.8861 10.0389 10.0389 10.0494 10.0494 10.0999 10.0999 10.4723 10.4723 10.8872 10.8872 10.9402 10.9402 k = 0.0000 0.0000 0.3480 ( 3118 PWs) bands (ev): -1.4395 -1.4395 1.3703 1.3703 3.2046 3.2046 4.8967 4.8967 6.4469 6.4469 6.5232 6.5232 7.1900 7.1900 7.3286 7.3286 7.3566 7.3566 7.7889 7.7889 7.8182 7.8182 7.8824 7.8824 8.4457 8.4457 8.4792 8.4792 9.8369 9.8369 9.8848 9.8848 10.0352 10.0352 10.0476 10.0476 10.0963 10.0963 10.4232 10.4232 10.7832 10.7832 10.8345 10.8345 k = 0.0000 0.0000 0.3638 ( 3118 PWs) bands (ev): -1.3799 -1.3799 1.3079 1.3079 3.1807 3.1807 4.8453 4.8453 6.5103 6.5103 6.5859 6.5859 7.2735 7.2735 7.3312 7.3312 7.3563 7.3563 7.7890 7.7890 7.8201 7.8201 7.8985 7.8985 8.4494 8.4494 8.4879 8.4879 9.8355 9.8355 9.8831 9.8831 10.0316 10.0316 10.0459 10.0459 10.0927 10.0927 10.3726 10.3726 10.6786 10.6786 10.7282 10.7282 k = 0.0000 0.0000 0.3796 ( 3106 PWs) bands (ev): -1.3181 -1.3181 1.2423 1.2423 3.1580 3.1580 4.7985 4.7985 6.5752 6.5752 6.6501 6.6501 7.3337 7.3337 7.3560 7.3560 7.3572 7.3572 7.7890 7.7890 7.8222 7.8222 7.9137 7.9137 8.4533 8.4533 8.4965 8.4965 9.8336 9.8336 9.8808 9.8808 10.0282 10.0282 10.0443 10.0443 10.0891 10.0891 10.3212 10.3212 10.5743 10.5743 10.6220 10.6220 k = 0.0000 0.0000 0.3954 ( 3112 PWs) bands (ev): -1.2544 -1.2544 1.1736 1.1736 3.1363 3.1363 4.7561 4.7561 6.6416 6.6416 6.7155 6.7155 7.3359 7.3359 7.3556 7.3556 7.4405 7.4405 7.7889 7.7889 7.8243 7.8243 7.9280 7.9280 8.4572 8.4572 8.5051 8.5051 9.8311 9.8311 9.8776 9.8776 10.0247 10.0247 10.0425 10.0425 10.0853 10.0853 10.2695 10.2695 10.4711 10.4711 10.5168 10.5168 k = 0.0000 0.0000 0.4113 ( 3112 PWs) bands (ev): -1.1888 -1.1888 1.1022 1.1022 3.1159 3.1159 4.7181 4.7181 6.7090 6.7090 6.7816 6.7816 7.3381 7.3381 7.3552 7.3552 7.5230 7.5230 7.7888 7.7888 7.8265 7.8265 7.9414 7.9414 8.4610 8.4610 8.5135 8.5135 9.8275 9.8275 9.8730 9.8730 10.0213 10.0213 10.0408 10.0408 10.0813 10.0813 10.2184 10.2184 10.3702 10.3702 10.4136 10.4136 k = 0.0000 0.0000 0.4271 ( 3112 PWs) bands (ev): -1.1216 -1.1216 1.0283 1.0283 3.0968 3.0968 4.6841 4.6841 6.7771 6.7771 6.8482 6.8482 7.3400 7.3400 7.3548 7.3548 7.6036 7.6036 7.7890 7.7890 7.8288 7.8288 7.9539 7.9539 8.4648 8.4648 8.5218 8.5218 9.8224 9.8224 9.8661 9.8661 10.0180 10.0180 10.0391 10.0391 10.0767 10.0767 10.1685 10.1685 10.2733 10.2733 10.3141 10.3141 k = 0.0000 0.0000 0.4429 ( 3118 PWs) bands (ev): -1.0530 -1.0530 0.9525 0.9525 3.0791 3.0791 4.6540 4.6540 6.8456 6.8456 6.9147 6.9147 7.3418 7.3418 7.3543 7.3543 7.6802 7.6802 7.7910 7.7910 7.8312 7.8312 7.9656 7.9656 8.4685 8.4685 8.5297 8.5297 9.8147 9.8147 9.8551 9.8551 10.0146 10.0146 10.0373 10.0373 10.0701 10.0701 10.1205 10.1205 10.1828 10.1828 10.2214 10.2214 k = 0.0000 0.0000 0.4587 ( 3118 PWs) bands (ev): -0.9831 -0.9831 0.8753 0.8753 3.0627 3.0627 4.6276 4.6276 6.9139 6.9139 6.9806 6.9806 7.3434 7.3434 7.3538 7.3538 7.7425 7.7425 7.8046 7.8046 7.8339 7.8339 7.9767 7.9767 8.4720 8.4720 8.5372 8.5372 9.8027 9.8027 9.8370 9.8370 10.0107 10.0107 10.0349 10.0349 10.0564 10.0564 10.0755 10.0755 10.1032 10.1032 10.1433 10.1433 k = 0.0000 0.0000 0.4745 ( 3124 PWs) bands (ev): -0.9124 -0.9124 0.7970 0.7970 3.0478 3.0478 4.6047 4.6047 6.9815 6.9815 7.0451 7.0451 7.3449 7.3449 7.3533 7.3533 7.7644 7.7644 7.8367 7.8367 7.8550 7.8550 7.9868 7.9868 8.4753 8.4753 8.5442 8.5442 9.7825 9.7825 9.8065 9.8065 10.0035 10.0035 10.0201 10.0201 10.0254 10.0254 10.0365 10.0365 10.0470 10.0470 10.0995 10.0995 k = 0.0000 0.0000 0.4904 ( 3130 PWs) bands (ev): -0.8412 -0.8412 0.7184 0.7184 3.0343 3.0343 4.5849 4.5849 7.0476 7.0476 7.1074 7.1074 7.3462 7.3462 7.3529 7.3529 7.7660 7.7660 7.8398 7.8398 7.9212 7.9212 7.9957 7.9957 8.4784 8.4784 8.5508 8.5508 9.7497 9.7497 9.7606 9.7606 9.9718 9.9718 9.9815 9.9815 9.9904 9.9904 10.0159 10.0159 10.0367 10.0367 10.0853 10.0853 k = 0.0000 0.0000 0.5062 ( 3130 PWs) bands (ev): -0.7701 -0.7701 0.6403 0.6403 3.0224 3.0224 4.5682 4.5682 7.1115 7.1115 7.1665 7.1665 7.3473 7.3473 7.3524 7.3524 7.7632 7.7632 7.8432 7.8432 7.9863 7.9863 8.0040 8.0040 8.4813 8.4813 8.5567 8.5567 9.7027 9.7027 9.7029 9.7029 9.9356 9.9356 9.9486 9.9486 9.9651 9.9651 10.0102 10.0102 10.0347 10.0347 10.0794 10.0794 k = 0.0000 0.0000 0.5220 ( 3130 PWs) bands (ev): -0.7000 -0.7000 0.5637 0.5637 3.0120 3.0120 4.5541 4.5541 7.1721 7.1721 7.2213 7.2213 7.3483 7.3483 7.3521 7.3521 7.7585 7.7585 7.8468 7.8468 8.0113 8.0113 8.0468 8.0468 8.4838 8.4838 8.5621 8.5621 9.6412 9.6412 9.6465 9.6465 9.9134 9.9134 9.9172 9.9172 9.9503 9.9503 10.0073 10.0073 10.0334 10.0334 10.0759 10.0759 k = 0.0000 0.0000 0.5378 ( 3118 PWs) bands (ev): -0.6320 -0.6320 0.4899 0.4899 3.0031 3.0031 4.5426 4.5426 7.2283 7.2283 7.2707 7.2707 7.3492 7.3492 7.3518 7.3518 7.7526 7.7526 7.8506 7.8506 8.0176 8.0176 8.1010 8.1010 8.4860 8.4860 8.5667 8.5667 9.5818 9.5818 9.5888 9.5888 9.8895 9.8895 9.9003 9.9003 9.9414 9.9414 10.0054 10.0054 10.0326 10.0326 10.0736 10.0736 k = 0.0000 0.0000 0.5536 ( 3130 PWs) bands (ev): -0.5680 -0.5680 0.4209 0.4209 2.9959 2.9959 4.5335 4.5335 7.2785 7.2785 7.3133 7.3133 7.3499 7.3499 7.3515 7.3515 7.7457 7.7457 7.8545 7.8545 8.0228 8.0228 8.1475 8.1475 8.4878 8.4878 8.5705 8.5705 9.5285 9.5285 9.5352 9.5352 9.8664 9.8664 9.8925 9.8925 9.9359 9.9359 10.0038 10.0038 10.0317 10.0317 10.0718 10.0718 k = 0.0000 0.0000 0.5694 ( 3142 PWs) bands (ev): -0.5105 -0.5105 0.3595 0.3595 2.9902 2.9902 4.5265 4.5265 7.3210 7.3210 7.3480 7.3480 7.3503 7.3503 7.3511 7.3511 7.7386 7.7386 7.8581 7.8581 8.0269 8.0269 8.1852 8.1852 8.4893 8.4893 8.5735 8.5735 9.4845 9.4845 9.4901 9.4901 9.8481 9.8481 9.8876 9.8876 9.9323 9.9323 10.0026 10.0026 10.0310 10.0310 10.0704 10.0704 k = 0.0000 0.0000 0.5853 ( 3142 PWs) bands (ev): -0.4635 -0.4635 0.3095 0.3095 2.9861 2.9861 4.5216 4.5216 7.3507 7.3507 7.3509 7.3509 7.3539 7.3539 7.3736 7.3736 7.7321 7.7321 7.8611 7.8611 8.0299 8.0299 8.2131 8.2131 8.4903 8.4903 8.5757 8.5757 9.4516 9.4516 9.4560 9.4560 9.8348 9.8348 9.8847 9.8847 9.9302 9.9302 10.0018 10.0018 10.0305 10.0305 10.0695 10.0695 k = 0.0000 0.0000 0.6011 ( 3148 PWs) bands (ev): -0.4320 -0.4320 0.2762 0.2762 2.9837 2.9837 4.5187 4.5187 7.3508 7.3508 7.3509 7.3509 7.3748 7.3748 7.3893 7.3893 7.7274 7.7274 7.8631 7.8631 8.0317 8.0317 8.2301 8.2301 8.4910 8.4910 8.5770 8.5770 9.4313 9.4313 9.4347 9.4347 9.8268 9.8268 9.8831 9.8831 9.9289 9.9289 10.0013 10.0013 10.0303 10.0303 10.0689 10.0689 k = 0.0000 0.0000 0.6169 ( 3148 PWs) bands (ev): -0.4207 -0.4207 0.2644 0.2644 2.9829 2.9829 4.5178 4.5178 7.3508 7.3508 7.3510 7.3510 7.3820 7.3820 7.3946 7.3946 7.7256 7.7256 7.8638 7.8638 8.0323 8.0323 8.2359 8.2359 8.4912 8.4912 8.5775 8.5775 9.4244 9.4244 9.4275 9.4275 9.8241 9.8241 9.8826 9.8826 9.9286 9.9286 10.0011 10.0011 10.0302 10.0302 10.0687 10.0687 k = 0.0000 0.0000 0.6169 ( 3148 PWs) bands (ev): -0.4207 -0.4207 0.2644 0.2644 2.9829 2.9829 4.5178 4.5178 7.3508 7.3508 7.3510 7.3510 7.3820 7.3820 7.3946 7.3946 7.7256 7.7256 7.8638 7.8638 8.0323 8.0323 8.2359 8.2359 8.4912 8.4912 8.5775 8.5775 9.4244 9.4244 9.4275 9.4275 9.8241 9.8241 9.8826 9.8826 9.9286 9.9286 10.0011 10.0011 10.0302 10.0302 10.0687 10.0687 k = 0.0135 0.0078 0.6169 ( 3146 PWs) bands (ev): -0.4197 -0.4197 0.2657 0.2657 2.9809 2.9809 4.5177 4.5177 7.3410 7.3410 7.3457 7.3457 7.3798 7.3798 7.3924 7.3924 7.7326 7.7326 7.8691 7.8691 8.0328 8.0328 8.2330 8.2330 8.4884 8.4884 8.5745 8.5745 9.4247 9.4247 9.4279 9.4279 9.8269 9.8269 9.8852 9.8852 9.9307 9.9307 10.0010 10.0010 10.0302 10.0302 10.0687 10.0687 k = 0.0270 0.0156 0.6169 ( 3142 PWs) bands (ev): -0.4166 -0.4166 0.2695 0.2695 2.9748 2.9748 4.5174 4.5174 7.3132 7.3132 7.3306 7.3306 7.3725 7.3725 7.3869 7.3869 7.7520 7.7520 7.8843 7.8843 8.0342 8.0342 8.2245 8.2245 8.4799 8.4799 8.5663 8.5663 9.4252 9.4252 9.4296 9.4296 9.8350 9.8350 9.8927 9.8927 9.9368 9.9368 10.0007 10.0007 10.0303 10.0303 10.0688 10.0688 k = 0.0405 0.0234 0.6169 ( 3146 PWs) bands (ev): -0.4114 -0.4114 0.2759 0.2759 2.9648 2.9648 4.5169 4.5169 7.2716 7.2716 7.3075 7.3075 7.3582 7.3582 7.3795 7.3795 7.7800 7.7800 7.9072 7.9072 8.0365 8.0365 8.2107 8.2107 8.4653 8.4653 8.5545 8.5545 9.4255 9.4255 9.4327 9.4327 9.8478 9.8478 9.9046 9.9046 9.9464 9.9464 10.0003 10.0003 10.0305 10.0305 10.0689 10.0689 k = 0.0541 0.0312 0.6169 ( 3142 PWs) bands (ev): -0.4041 -0.4041 0.2849 0.2849 2.9509 2.9509 4.5162 4.5162 7.2200 7.2200 7.2784 7.2784 7.3365 7.3365 7.3706 7.3706 7.8134 7.8134 7.9357 7.9357 8.0397 8.0397 8.1920 8.1920 8.4447 8.4447 8.5409 8.5409 9.4255 9.4255 9.4370 9.4370 9.8642 9.8642 9.9202 9.9202 9.9592 9.9592 10.0003 10.0003 10.0310 10.0310 10.0695 10.0695 k = 0.0676 0.0390 0.6169 ( 3142 PWs) bands (ev): -0.3947 -0.3947 0.2964 0.2964 2.9330 2.9330 4.5150 4.5150 7.1614 7.1614 7.2451 7.2451 7.3075 7.3075 7.3598 7.3598 7.8497 7.8497 7.9677 7.9677 8.0438 8.0438 8.1691 8.1691 8.4187 8.4187 8.5273 8.5273 9.4254 9.4254 9.4418 9.4418 9.8823 9.8823 9.9382 9.9382 9.9743 9.9743 10.0017 10.0017 10.0320 10.0320 10.0708 10.0708 k = 0.0811 0.0468 0.6169 ( 3138 PWs) bands (ev): -0.3833 -0.3833 0.3104 0.3104 2.9114 2.9114 4.5134 4.5134 7.0979 7.0979 7.2091 7.2091 7.2713 7.2713 7.3468 7.3468 7.8874 7.8874 8.0017 8.0017 8.0487 8.0487 8.1427 8.1427 8.3892 8.3892 8.5144 8.5144 9.4252 9.4252 9.4466 9.4466 9.8998 9.8998 9.9557 9.9557 9.9903 9.9903 10.0074 10.0074 10.0345 10.0345 10.0737 10.0737 k = 0.0946 0.0546 0.6169 ( 3138 PWs) bands (ev): -0.3699 -0.3699 0.3269 0.3269 2.8862 2.8862 4.5112 4.5112 7.0307 7.0307 7.1711 7.1711 7.2282 7.2282 7.3317 7.3317 7.9247 7.9247 8.0352 8.0352 8.0558 8.0558 8.1140 8.1140 8.3584 8.3584 8.5026 8.5026 9.4250 9.4250 9.4511 9.4511 9.9135 9.9135 9.9687 9.9687 10.0031 10.0031 10.0219 10.0219 10.0410 10.0410 10.0795 10.0795 k = 0.1081 0.0624 0.6169 ( 3142 PWs) bands (ev): -0.3544 -0.3544 0.3458 0.3458 2.8573 2.8573 4.5083 4.5083 6.9611 6.9611 7.1319 7.1319 7.1787 7.1787 7.3145 7.3145 7.9588 7.9588 8.0532 8.0532 8.0786 8.0786 8.0863 8.0863 8.3285 8.3285 8.4921 8.4921 9.4247 9.4247 9.4547 9.4547 9.9211 9.9211 9.9770 9.9770 10.0109 10.0109 10.0368 10.0368 10.0597 10.0597 10.0910 10.0910 k = 0.1216 0.0702 0.6169 ( 3138 PWs) bands (ev): -0.3369 -0.3369 0.3672 0.3672 2.8250 2.8250 4.5044 4.5044 6.8899 6.8899 7.0914 7.0914 7.1239 7.1239 7.2954 7.2954 7.9793 7.9793 8.0546 8.0546 8.0731 8.0731 8.1141 8.1141 8.3017 8.3017 8.4832 8.4832 9.4244 9.4244 9.4572 9.4572 9.9222 9.9222 9.9833 9.9833 10.0152 10.0152 10.0460 10.0460 10.0865 10.0865 10.1128 10.1128 k = 0.1351 0.0780 0.6169 ( 3134 PWs) bands (ev): -0.3174 -0.3174 0.3908 0.3908 2.7894 2.7894 4.4994 4.4994 6.8179 6.8179 7.0466 7.0466 7.0679 7.0679 7.2743 7.2743 7.9656 7.9656 8.0632 8.0632 8.0815 8.0815 8.1511 8.1511 8.2794 8.2794 8.4760 8.4760 9.4241 9.4241 9.4583 9.4583 9.9177 9.9177 9.9882 9.9882 10.0179 10.0179 10.0532 10.0532 10.1095 10.1095 10.1476 10.1476 k = 0.1486 0.0858 0.6169 ( 3130 PWs) bands (ev): -0.2960 -0.2960 0.4168 0.4168 2.7507 2.7507 4.4931 4.4931 6.7455 6.7455 6.9882 6.9882 7.0212 7.0212 7.2515 7.2515 7.9288 7.9288 8.0724 8.0724 8.1081 8.1081 8.1885 8.1885 8.2625 8.2625 8.4706 8.4706 9.4238 9.4238 9.4576 9.4576 9.9094 9.9094 9.9912 9.9912 10.0201 10.0201 10.0598 10.0598 10.1293 10.1293 10.1896 10.1896 k = 0.1622 0.0936 0.6169 ( 3130 PWs) bands (ev): -0.2726 -0.2726 0.4450 0.4450 2.7090 2.7090 4.4851 4.4851 6.6734 6.6734 6.9207 6.9207 6.9809 6.9809 7.2270 7.2270 7.8837 7.8837 8.0774 8.0774 8.1425 8.1425 8.2257 8.2257 8.2519 8.2519 8.4672 8.4672 9.4234 9.4234 9.4551 9.4551 9.8982 9.8982 9.9919 9.9919 10.0222 10.0222 10.0664 10.0664 10.1471 10.1471 10.2345 10.2345 k = 0.1757 0.1014 0.6169 ( 3130 PWs) bands (ev): -0.2473 -0.2473 0.4753 0.4753 2.6645 2.6645 4.4752 4.4752 6.6021 6.6021 6.8498 6.8498 6.9425 6.9425 7.2013 7.2013 7.8346 7.8346 8.0808 8.0808 8.1783 8.1783 8.2453 8.2453 8.2649 8.2649 8.4660 8.4660 9.4230 9.4230 9.4507 9.4507 9.8848 9.8848 9.9909 9.9909 10.0240 10.0240 10.0731 10.0731 10.1624 10.1624 10.2807 10.2807 k = 0.1892 0.1092 0.6169 ( 3128 PWs) bands (ev): -0.2202 -0.2202 0.5077 0.5077 2.6174 2.6174 4.4631 4.4631 6.5318 6.5318 6.7777 6.7777 6.9053 6.9053 7.1745 7.1745 7.7830 7.7830 8.0830 8.0830 8.2137 8.2137 8.2469 8.2469 8.3018 8.3018 8.4669 8.4669 9.4226 9.4226 9.4441 9.4441 9.8697 9.8697 9.9887 9.9887 10.0255 10.0255 10.0797 10.0797 10.1747 10.1747 10.3274 10.3274 k = 0.2027 0.1170 0.6169 ( 3128 PWs) bands (ev): -0.1912 -0.1912 0.5420 0.5420 2.5679 2.5679 4.4484 4.4484 6.4630 6.4630 6.7057 6.7057 6.8691 6.8691 7.1467 7.1467 7.7297 7.7297 8.0843 8.0843 8.2430 8.2430 8.2586 8.2586 8.3387 8.3387 8.4700 8.4700 9.4221 9.4221 9.4357 9.4357 9.8528 9.8528 9.9855 9.9855 10.0267 10.0267 10.0861 10.0861 10.1836 10.1836 10.3738 10.3738 k = 0.2162 0.1248 0.6169 ( 3132 PWs) bands (ev): -0.1605 -0.1605 0.5782 0.5782 2.5162 2.5162 4.4309 4.4309 6.3960 6.3960 6.6351 6.6351 6.8341 6.8341 7.1183 7.1183 7.6753 7.6753 8.0851 8.0851 8.2566 8.2566 8.2894 8.2894 8.3752 8.3752 8.4752 8.4752 9.4213 9.4213 9.4255 9.4255 9.8347 9.8347 9.9815 9.9815 10.0276 10.0276 10.0920 10.0920 10.1889 10.1889 10.4194 10.4194 k = 0.2297 0.1326 0.6169 ( 3128 PWs) bands (ev): -0.1280 -0.1280 0.6161 0.6161 2.4625 2.4625 4.4104 4.4104 6.3311 6.3311 6.5670 6.5670 6.8003 6.8003 7.0897 7.0897 7.6202 7.6202 8.0859 8.0859 8.2693 8.2693 8.3238 8.3238 8.4108 8.4108 8.4827 8.4827 9.4126 9.4126 9.4214 9.4214 9.8154 9.8154 9.9769 9.9769 10.0284 10.0284 10.0972 10.0972 10.1910 10.1910 10.4637 10.4637 k = 0.2432 0.1404 0.6169 ( 3124 PWs) bands (ev): -0.0939 -0.0939 0.6556 0.6556 2.4070 2.4070 4.3864 4.3864 6.2684 6.2684 6.5023 6.5023 6.7677 6.7677 7.0609 7.0609 7.5649 7.5649 8.0868 8.0868 8.2840 8.2840 8.3581 8.3581 8.4449 8.4449 8.4928 8.4928 9.3987 9.3987 9.4208 9.4208 9.7948 9.7948 9.9719 9.9719 10.0289 10.0289 10.1019 10.1019 10.1897 10.1897 10.5065 10.5065 k = 0.2568 0.1482 0.6169 ( 3116 PWs) bands (ev): -0.0582 -0.0582 0.6965 0.6965 2.3500 2.3500 4.3590 4.3590 6.2082 6.2082 6.4419 6.4419 6.7365 6.7365 7.0324 7.0324 7.5097 7.5097 8.0880 8.0880 8.3007 8.3007 8.3920 8.3920 8.4760 8.4760 8.5068 8.5068 9.3830 9.3830 9.4202 9.4202 9.7733 9.7733 9.9664 9.9664 10.0293 10.0293 10.1058 10.1058 10.1855 10.1855 10.5473 10.5473 k = 0.2703 0.1560 0.6169 ( 3124 PWs) bands (ev): -0.0210 -0.0210 0.7386 0.7386 2.2916 2.2916 4.3279 4.3279 6.1506 6.1506 6.3864 6.3864 6.7067 6.7067 7.0042 7.0042 7.4547 7.4547 8.0894 8.0894 8.3190 8.3190 8.4251 8.4251 8.5004 8.5004 8.5281 8.5281 9.3657 9.3657 9.4197 9.4197 9.7510 9.7510 9.9605 9.9605 10.0295 10.0295 10.1089 10.1089 10.1785 10.1785 10.5860 10.5860 k = 0.2838 0.1638 0.6169 ( 3130 PWs) bands (ev): 0.0176 0.0176 0.7817 0.7817 2.2321 2.2321 4.2933 4.2933 6.0958 6.0958 6.3362 6.3362 6.6783 6.6783 6.9766 6.9766 7.4003 7.4003 8.0912 8.0912 8.3385 8.3385 8.4573 8.4573 8.5187 8.5187 8.5560 8.5560 9.3470 9.3470 9.4191 9.4191 9.7279 9.7279 9.9543 9.9543 10.0296 10.0296 10.1115 10.1115 10.1691 10.1691 10.6224 10.6224 k = 0.2973 0.1716 0.6169 ( 3126 PWs) bands (ev): 0.0575 0.0575 0.8255 0.8255 2.1719 2.1719 4.2552 4.2552 6.0440 6.0440 6.2919 6.2919 6.6514 6.6514 6.9498 6.9498 7.3469 7.3469 8.0934 8.0934 8.3592 8.3592 8.4882 8.4882 8.5358 8.5358 8.5857 8.5857 9.3271 9.3271 9.4186 9.4186 9.7044 9.7044 9.9479 9.9479 10.0295 10.0295 10.1133 10.1133 10.1579 10.1579 10.6563 10.6563 k = 0.3108 0.1794 0.6169 ( 3128 PWs) bands (ev): 0.0985 0.0985 0.8699 0.8699 2.1111 2.1111 4.2141 4.2141 5.9952 5.9952 6.2534 6.2534 6.6260 6.6260 6.9240 6.9240 7.2945 7.2945 8.0958 8.0958 8.3811 8.3811 8.5170 8.5170 8.5542 8.5542 8.6150 8.6150 9.3060 9.3060 9.4181 9.4181 9.6806 9.6806 9.9413 9.9413 10.0290 10.0290 10.1143 10.1143 10.1454 10.1454 10.6877 10.6877 k = 0.3243 0.1872 0.6169 ( 3136 PWs) bands (ev): 0.1405 0.1405 0.9144 0.9144 2.0500 2.0500 4.1704 4.1704 5.9495 5.9495 6.2209 6.2209 6.6022 6.6022 6.8994 6.8994 7.2434 7.2434 8.0981 8.0981 8.4035 8.4035 8.5426 8.5426 8.5754 8.5754 8.6432 8.6432 9.2840 9.2840 9.4176 9.4176 9.6563 9.6563 9.9346 9.9346 10.0283 10.0283 10.1141 10.1141 10.1326 10.1326 10.7166 10.7166 k = 0.3378 0.1951 0.6169 ( 3132 PWs) bands (ev): 0.1833 0.1833 0.9587 0.9587 1.9891 1.9891 4.1246 4.1246 5.9070 5.9070 6.1940 6.1940 6.5801 6.5801 6.8760 6.8760 7.1940 7.1940 8.1009 8.1009 8.4265 8.4265 8.5643 8.5643 8.5998 8.5998 8.6701 8.6701 9.2613 9.2613 9.4171 9.4171 9.6320 9.6320 9.9279 9.9279 10.0271 10.0271 10.1101 10.1101 10.1227 10.1227 10.7429 10.7429 k = 0.3514 0.2029 0.6169 ( 3128 PWs) bands (ev): 0.2266 0.2266 1.0025 1.0025 1.9286 1.9286 4.0776 4.0776 5.8678 5.8678 6.1726 6.1726 6.5596 6.5596 6.8541 6.8541 7.1465 7.1465 8.1036 8.1036 8.4499 8.4499 8.5832 8.5832 8.6262 8.6262 8.6955 8.6955 9.2381 9.2381 9.4166 9.4166 9.6078 9.6078 9.9212 9.9212 10.0252 10.0252 10.0993 10.0993 10.1193 10.1193 10.7668 10.7668 k = 0.3649 0.2107 0.6169 ( 3132 PWs) bands (ev): 0.2701 0.2701 1.0453 1.0453 1.8690 1.8690 4.0301 4.0301 5.8318 5.8318 6.1561 6.1561 6.5408 6.5408 6.8337 6.8337 7.1010 7.1010 8.1064 8.1064 8.4736 8.4736 8.6004 8.6004 8.6530 8.6530 8.7192 8.7192 9.2146 9.2146 9.4160 9.4160 9.5840 9.5840 9.9146 9.9146 10.0221 10.0221 10.0867 10.0867 10.1182 10.1182 10.7882 10.7882 k = 0.3784 0.2185 0.6169 ( 3132 PWs) bands (ev): 0.3134 0.3134 1.0866 1.0866 1.8107 1.8107 3.9829 3.9829 5.7992 5.7992 6.1440 6.1440 6.5238 6.5238 6.8149 6.8149 7.0579 7.0579 8.1092 8.1092 8.4973 8.4973 8.6163 8.6163 8.6794 8.6794 8.7410 8.7410 9.1912 9.1912 9.4154 9.4154 9.5608 9.5608 9.9082 9.9082 10.0176 10.0176 10.0754 10.0754 10.1174 10.1174 10.8072 10.8072 k = 0.3919 0.2263 0.6169 ( 3136 PWs) bands (ev): 0.3561 0.3561 1.1258 1.1258 1.7544 1.7544 3.9371 3.9371 5.7700 5.7700 6.1358 6.1358 6.5085 6.5085 6.7978 6.7978 7.0176 7.0176 8.1118 8.1118 8.5208 8.5208 8.6313 8.6313 8.7046 8.7046 8.7610 8.7610 9.1679 9.1679 9.4147 9.4147 9.5384 9.5384 9.9022 9.9022 10.0111 10.0111 10.0663 10.0663 10.1166 10.1166 10.8240 10.8240 k = 0.4054 0.2341 0.6169 ( 3138 PWs) bands (ev): 0.3977 0.3977 1.1625 1.1625 1.7006 1.7006 3.8937 3.8937 5.7441 5.7441 6.1309 6.1309 6.4949 6.4949 6.7826 6.7826 6.9805 6.9805 8.1142 8.1142 8.5437 8.5437 8.6451 8.6451 8.7283 8.7283 8.7788 8.7788 9.1452 9.1452 9.4140 9.4140 9.5173 9.5173 9.8966 9.8966 10.0029 10.0029 10.0599 10.0599 10.1158 10.1158 10.8385 10.8385 k = 0.4189 0.2419 0.6169 ( 3136 PWs) bands (ev): 0.4372 0.4372 1.1961 1.1961 1.6503 1.6503 3.8535 3.8535 5.7217 5.7217 6.1286 6.1286 6.4832 6.4832 6.7693 6.7693 6.9470 6.9470 8.1164 8.1164 8.5656 8.5656 8.6576 8.6576 8.7501 8.7501 8.7945 8.7945 9.1236 9.1236 9.4131 9.4131 9.4980 9.4980 9.8915 9.8915 9.9936 9.9936 10.0556 10.0556 10.1150 10.1150 10.8510 10.8510 k = 0.4324 0.2497 0.6169 ( 3138 PWs) bands (ev): 0.4740 0.4740 1.2258 1.2258 1.6043 1.6043 3.8175 3.8175 5.7027 5.7027 6.1281 6.1281 6.4733 6.4733 6.7578 6.7578 6.9175 6.9175 8.1184 8.1184 8.5861 8.5861 8.6686 8.6686 8.7695 8.7695 8.8078 8.8078 9.1036 9.1036 9.4119 9.4119 9.4808 9.4808 9.8870 9.8870 9.9842 9.9842 10.0528 10.0528 10.1143 10.1143 10.8614 10.8614 k = 0.4459 0.2575 0.6169 ( 3138 PWs) bands (ev): 0.5068 0.5068 1.2511 1.2511 1.5639 1.5639 3.7866 3.7866 5.6871 5.6871 6.1289 6.1289 6.4651 6.4651 6.7484 6.7484 6.8925 6.8925 8.1200 8.1200 8.6046 8.6046 8.6779 8.6779 8.7863 8.7863 8.8188 8.8188 9.0858 9.0858 9.4105 9.4105 9.4663 9.4663 9.8832 9.8832 9.9756 9.9756 10.0510 10.0510 10.1136 10.1136 10.8698 10.8698 k = 0.4595 0.2653 0.6169 ( 3138 PWs) bands (ev): 0.5344 0.5344 1.2715 1.2715 1.5303 1.5303 3.7617 3.7617 5.6750 5.6750 6.1304 6.1304 6.4588 6.4588 6.7410 6.7410 6.8724 6.8724 8.1213 8.1213 8.6202 8.6202 8.6853 8.6853 8.8001 8.8001 8.8270 8.8270 9.0709 9.0709 9.4087 9.4087 9.4551 9.4551 9.8802 9.8802 9.9684 9.9684 10.0499 10.0499 10.1130 10.1130 10.8762 10.8762 k = 0.4730 0.2731 0.6169 ( 3128 PWs) bands (ev): 0.5554 0.5554 1.2865 1.2865 1.5050 1.5050 3.7434 3.7434 5.6664 5.6664 6.1319 6.1319 6.4543 6.4543 6.7357 6.7357 6.8578 6.8578 8.1223 8.1223 8.6323 8.6323 8.6906 8.6906 8.8107 8.8107 8.8327 8.8327 9.0597 9.0597 9.4068 9.4068 9.4473 9.4473 9.8779 9.8779 9.9631 9.9631 10.0492 10.0492 10.1126 10.1126 10.8808 10.8808 k = 0.4865 0.2809 0.6169 ( 3136 PWs) bands (ev): 0.5686 0.5686 1.2956 1.2956 1.4892 1.4892 3.7322 3.7322 5.6612 5.6612 6.1329 6.1329 6.4516 6.4516 6.7325 6.7325 6.8488 6.8488 8.1229 8.1229 8.6399 8.6399 8.6938 8.6938 8.8173 8.8173 8.8357 8.8357 9.0526 9.0526 9.4052 9.4052 9.4428 9.4428 9.8766 9.8766 9.9598 9.9598 10.0489 10.0489 10.1123 10.1123 10.8836 10.8836 k = 0.5000 0.2887 0.6169 ( 3136 PWs) bands (ev): 0.5732 0.5732 1.2987 1.2987 1.4838 1.4838 3.7284 3.7284 5.6594 5.6594 6.1333 6.1333 6.4507 6.4507 6.7314 6.7314 6.8457 6.8457 8.1231 8.1231 8.6425 8.6425 8.6948 8.6948 8.8197 8.8197 8.8366 8.8366 9.0502 9.0502 9.4046 9.4046 9.4414 9.4414 9.8761 9.8761 9.9586 9.9586 10.0487 10.0487 10.1122 10.1122 10.8845 10.8845 k = 0.5000 0.2887 0.6169 ( 3136 PWs) bands (ev): 0.5732 0.5732 1.2987 1.2987 1.4838 1.4838 3.7284 3.7284 5.6594 5.6594 6.1333 6.1333 6.4507 6.4507 6.7314 6.7314 6.8457 6.8457 8.1231 8.1231 8.6425 8.6425 8.6948 8.6948 8.8197 8.8197 8.8366 8.8366 9.0502 9.0502 9.4046 9.4046 9.4414 9.4414 9.8761 9.8761 9.9586 9.9586 10.0487 10.0487 10.1122 10.1122 10.8845 10.8845 k = 0.4921 0.3024 0.6169 ( 3136 PWs) bands (ev): 0.5743 0.5743 1.2994 1.2994 1.4829 1.4829 3.7300 3.7300 5.6487 5.6487 6.1191 6.1191 6.4625 6.4625 6.7411 6.7411 6.8463 6.8463 8.1229 8.1229 8.6350 8.6350 8.7029 8.7029 8.7882 8.7882 8.8679 8.8679 9.0501 9.0501 9.4049 9.4049 9.4421 9.4421 9.8755 9.8755 9.9543 9.9543 10.0466 10.0466 10.1184 10.1184 10.8868 10.8868 k = 0.4841 0.3162 0.6169 ( 3136 PWs) bands (ev): 0.5776 0.5776 1.3015 1.3015 1.4804 1.4804 3.7349 3.7349 5.6186 5.6186 6.0791 6.0791 6.4961 6.4961 6.7672 6.7672 6.8479 6.8479 8.1226 8.1226 8.6201 8.6201 8.7128 8.7128 8.7572 8.7572 8.9047 8.9047 9.0503 9.0503 9.4056 9.4056 9.4441 9.4441 9.8735 9.8735 9.9426 9.9426 10.0415 10.0415 10.1340 10.1340 10.8936 10.8936 k = 0.4762 0.3299 0.6169 ( 3136 PWs) bands (ev): 0.5831 0.5831 1.3049 1.3049 1.4762 1.4762 3.7429 3.7429 5.5735 5.5735 6.0192 6.0192 6.5472 6.5472 6.8036 6.8036 6.8510 6.8510 8.1219 8.1219 8.6045 8.6045 8.6896 8.6896 8.7628 8.7628 8.9385 8.9385 9.0517 9.0517 9.4064 9.4064 9.4479 9.4479 9.8699 9.8699 9.9268 9.9268 10.0349 10.0349 10.1546 10.1546 10.9051 10.9051 k = 0.4683 0.3437 0.6169 ( 3132 PWs) bands (ev): 0.5908 0.5908 1.3097 1.3097 1.4702 1.4702 3.7542 3.7542 5.5185 5.5185 5.9453 5.9453 6.6108 6.6108 6.8407 6.8407 6.8594 6.8594 8.1207 8.1207 8.5901 8.5901 8.6487 8.6487 8.7875 8.7875 8.9663 8.9663 9.0571 9.0571 9.4072 9.4072 9.4536 9.4536 9.8642 9.8642 9.9098 9.9098 10.0271 10.0271 10.1772 10.1772 10.9211 10.9211 k = 0.4603 0.3574 0.6169 ( 3128 PWs) bands (ev): 0.6007 0.6007 1.3157 1.3157 1.4624 1.4624 3.7687 3.7687 5.4577 5.4577 5.8618 5.8618 6.6826 6.6826 6.8545 6.8545 6.8930 6.8930 8.1190 8.1190 8.5775 8.5775 8.6049 8.6049 8.8164 8.8164 8.9835 8.9835 9.0710 9.0710 9.4075 9.4075 9.4615 9.4615 9.8553 9.8553 9.8943 9.8943 10.0180 10.0180 10.2002 10.2002 10.9416 10.9416 k = 0.4524 0.3712 0.6169 ( 3124 PWs) bands (ev): 0.6129 0.6129 1.3229 1.3229 1.4527 1.4527 3.7863 3.7863 5.3941 5.3941 5.7717 5.7717 6.7598 6.7598 6.8607 6.8607 6.9334 6.9334 8.1168 8.1168 8.5563 8.5563 8.5707 8.5707 8.8475 8.8475 8.9888 8.9888 9.0943 9.0943 9.4075 9.4075 9.4714 9.4714 9.8422 9.8422 9.8817 9.8817 10.0071 10.0071 10.2226 10.2226 10.9666 10.9666 k = 0.4444 0.3849 0.6169 ( 3120 PWs) bands (ev): 0.6271 0.6271 1.3312 1.3312 1.4411 1.4411 3.8072 3.8072 5.3298 5.3298 5.6770 5.6770 6.8399 6.8399 6.8671 6.8671 6.9714 6.9714 8.1143 8.1143 8.5110 8.5110 8.5622 8.5622 8.8798 8.8798 8.9864 8.9864 9.1232 9.1232 9.4070 9.4070 9.4833 9.4833 9.8257 9.8257 9.8720 9.8720 9.9947 9.9947 10.2436 10.2436 10.9960 10.9960 k = 0.4365 0.3986 0.6169 ( 3120 PWs) bands (ev): 0.6436 0.6436 1.3404 1.3404 1.4275 1.4275 3.8312 3.8312 5.2664 5.2664 5.5794 5.5794 6.8741 6.8741 6.9216 6.9216 7.0053 7.0053 8.1110 8.1110 8.4637 8.4637 8.5577 8.5577 8.9125 8.9125 8.9802 8.9802 9.1542 9.1542 9.4063 9.4063 9.4970 9.4970 9.8071 9.8071 9.8637 9.8637 9.9808 9.9808 10.2628 10.2628 11.0297 11.0297 k = 0.4286 0.4124 0.6169 ( 3120 PWs) bands (ev): 0.6622 0.6622 1.3505 1.3505 1.4119 1.4119 3.8583 3.8583 5.2051 5.2051 5.4800 5.4800 6.8820 6.8820 7.0035 7.0035 7.0345 7.0345 8.1075 8.1075 8.4156 8.4156 8.5562 8.5562 8.9414 8.9414 8.9760 8.9760 9.1855 9.1855 9.4054 9.4054 9.5122 9.5122 9.7873 9.7873 9.8559 9.8559 9.9652 9.9652 10.2799 10.2799 11.0673 11.0673 k = 0.4206 0.4261 0.6169 ( 3120 PWs) bands (ev): 0.6830 0.6830 1.3611 1.3611 1.3942 1.3942 3.8886 3.8886 5.1467 5.1467 5.3798 5.3798 6.8908 6.8908 7.0588 7.0588 7.0849 7.0849 8.1035 8.1035 8.3669 8.3669 8.5575 8.5575 8.9464 8.9464 8.9944 8.9944 9.2165 9.2165 9.4045 9.4045 9.5286 9.5286 9.7666 9.7666 9.8481 9.8481 9.9483 9.9483 10.2949 10.2949 11.1085 11.1085 k = 0.4127 0.4399 0.6169 ( 3120 PWs) bands (ev): 0.7058 0.7058 1.3693 1.3693 1.3773 1.3773 3.9219 3.9219 5.0918 5.0918 5.2796 5.2796 6.9003 6.9003 7.0781 7.0781 7.1648 7.1648 8.0994 8.0994 8.3177 8.3177 8.5616 8.5616 8.9347 8.9347 9.0283 9.0283 9.2467 9.2467 9.4035 9.4035 9.5461 9.5461 9.7451 9.7451 9.8401 9.8401 9.9299 9.9299 10.3078 10.3078 11.1527 11.1527 k = 0.4048 0.4536 0.6169 ( 3112 PWs) bands (ev): 0.7308 0.7308 1.3507 1.3507 1.3851 1.3851 3.9583 3.9583 5.0411 5.0411 5.1801 5.1801 6.9108 6.9108 7.0924 7.0924 7.2430 7.2430 8.0950 8.0950 8.2681 8.2681 8.5683 8.5683 8.9193 8.9193 9.0653 9.0653 9.2761 9.2761 9.4027 9.4027 9.5643 9.5643 9.7225 9.7225 9.8319 9.8319 9.9105 9.9105 10.3187 10.3187 11.1993 11.1993 k = 0.3968 0.4674 0.6169 ( 3112 PWs) bands (ev): 0.7578 0.7578 1.3262 1.3262 1.3966 1.3966 3.9978 3.9978 4.9949 4.9949 5.0821 5.0821 6.9221 6.9221 7.1019 7.1019 7.3188 7.3188 8.0904 8.0904 8.2182 8.2182 8.5776 8.5776 8.9019 8.9019 9.1035 9.1035 9.3041 9.3041 9.4020 9.4020 9.5830 9.5830 9.6985 9.6985 9.8234 9.8234 9.8899 9.8899 10.3276 10.3276 11.2472 11.2472 k = 0.3889 0.4811 0.6169 ( 3108 PWs) bands (ev): 0.7869 0.7869 1.2992 1.2992 1.4081 1.4081 4.0402 4.0402 4.9535 4.9535 4.9861 4.9861 6.9342 6.9342 7.1068 7.1068 7.3920 7.3920 8.0860 8.0860 8.1682 8.1682 8.5892 8.5892 8.8831 8.8831 9.1424 9.1424 9.3306 9.3306 9.4015 9.4015 9.6020 9.6020 9.6730 9.6730 9.8147 9.8147 9.8687 9.8687 10.3349 10.3349 11.2953 11.2953 k = 0.3810 0.4949 0.6169 ( 3108 PWs) bands (ev): 0.8180 0.8180 1.2697 1.2697 1.4192 1.4192 4.0856 4.0856 4.8924 4.8924 4.9176 4.9176 6.9472 6.9472 7.1075 7.1075 7.4624 7.4624 8.0811 8.0811 8.1185 8.1185 8.6029 8.6029 8.8631 8.8631 9.1818 9.1818 9.3553 9.3553 9.4013 9.4013 9.6207 9.6207 9.6459 9.6459 9.8060 9.8060 9.8469 9.8469 10.3407 10.3407 11.3420 11.3420 k = 0.3730 0.5086 0.6169 ( 3106 PWs) bands (ev): 0.8512 0.8512 1.2379 1.2379 1.4295 1.4295 4.1339 4.1339 4.8022 4.8022 4.8867 4.8867 6.9610 6.9610 7.1044 7.1044 7.5297 7.5297 8.0641 8.0641 8.0814 8.0814 8.6188 8.6188 8.8420 8.8420 9.2216 9.2216 9.3773 9.3773 9.4019 9.4019 9.6157 9.6157 9.6406 9.6406 9.7972 9.7972 9.8251 9.8251 10.3452 10.3452 11.3856 11.3856 k = 0.3651 0.5224 0.6169 ( 3098 PWs) bands (ev): 0.8862 0.8862 1.2037 1.2037 1.4388 1.4388 4.1850 4.1850 4.7158 4.7158 4.8614 4.8614 6.9756 6.9756 7.0977 7.0977 7.5937 7.5937 8.0158 8.0158 8.0760 8.0760 8.6367 8.6367 8.8203 8.8203 9.2615 9.2615 9.3929 9.3929 9.4067 9.4067 9.5849 9.5849 9.6586 9.6586 9.7885 9.7885 9.8041 9.8041 10.3486 10.3486 11.4243 11.4243 k = 0.3571 0.5361 0.6169 ( 3090 PWs) bands (ev): 0.9232 0.9232 1.1673 1.1673 1.4467 1.4467 4.2390 4.2390 4.6336 4.6336 4.8418 4.8418 6.9909 6.9909 7.0879 7.0879 7.6545 7.6545 7.9659 7.9659 8.0731 8.0731 8.6561 8.6561 8.7978 8.7978 9.3011 9.3011 9.3971 9.3971 9.4202 9.4202 9.5522 9.5522 9.6758 9.6758 9.7794 9.7794 9.7853 9.7853 10.3512 10.3512 11.4562 11.4562 k = 0.3492 0.5499 0.6169 ( 3094 PWs) bands (ev): 0.9621 0.9621 1.1287 1.1287 1.4527 1.4527 4.2957 4.2957 4.5561 4.5561 4.8277 4.8277 7.0069 7.0069 7.0753 7.0753 7.7119 7.7119 7.9160 7.9160 8.0709 8.0709 8.6769 8.6769 8.7748 8.7748 9.3396 9.3396 9.3980 9.3980 9.4332 9.4332 9.5184 9.5184 9.6911 9.6911 9.7668 9.7668 9.7735 9.7735 10.3529 10.3529 11.4799 11.4799 k = 0.3413 0.5636 0.6169 ( 3090 PWs) bands (ev): 1.0028 1.0028 1.0881 1.0881 1.4566 1.4566 4.3550 4.3550 4.4841 4.4841 4.8193 4.8193 7.0233 7.0233 7.0607 7.0607 7.7658 7.7658 7.8665 7.8665 8.0696 8.0696 8.6985 8.6985 8.7520 8.7520 9.3742 9.3742 9.3984 9.3984 9.4424 9.4424 9.4863 9.4863 9.7021 9.7021 9.7571 9.7571 9.7660 9.7660 10.3539 10.3539 11.4943 11.4943 k = 0.3333 0.5774 0.6169 ( 3090 PWs) bands (ev): 1.0425 1.0425 1.0484 1.0484 1.4580 1.4580 4.4116 4.4116 4.4232 4.4232 4.8165 4.8165 7.0356 7.0356 7.0489 7.0489 7.8113 7.8113 7.8224 7.8224 8.0692 8.0692 8.7137 8.7137 8.7364 8.7364 9.3924 9.3924 9.3985 9.3985 9.4461 9.4461 9.4686 9.4686 9.7056 9.7056 9.7558 9.7558 9.7614 9.7614 10.3542 10.3542 11.4991 11.4991 k = 0.3333 0.5774 0.6169 ( 3090 PWs) bands (ev): 1.0425 1.0425 1.0484 1.0484 1.4580 1.4580 4.4116 4.4116 4.4232 4.4232 4.8165 4.8165 7.0356 7.0356 7.0489 7.0489 7.8113 7.8113 7.8224 7.8224 8.0692 8.0692 8.7137 8.7137 8.7364 8.7364 9.3924 9.3924 9.3985 9.3985 9.4461 9.4461 9.4686 9.4686 9.7056 9.7056 9.7558 9.7558 9.7614 9.7614 10.3542 10.3542 11.4991 11.4991 k = 0.3254 0.5636 0.6169 ( 3090 PWs) bands (ev): 1.0011 1.0011 1.0899 1.0899 1.4565 1.4565 4.3568 4.3568 4.4824 4.4824 4.8193 4.8193 7.0222 7.0222 7.0619 7.0619 7.7678 7.7678 7.8646 7.8646 8.0696 8.0696 8.6977 8.6977 8.7527 8.7527 9.3731 9.3731 9.3990 9.3990 9.4421 9.4421 9.4869 9.4869 9.7039 9.7039 9.7530 9.7530 9.7685 9.7685 10.3539 10.3539 11.4945 11.4945 k = 0.3175 0.5499 0.6169 ( 3094 PWs) bands (ev): 0.9553 0.9553 1.1358 1.1358 1.4518 1.4518 4.3032 4.3032 4.5495 4.5495 4.8275 4.8275 7.0026 7.0026 7.0806 7.0806 7.7197 7.7197 7.9085 7.9085 8.0710 8.0710 8.6737 8.6737 8.7778 8.7778 9.3355 9.3355 9.3995 9.3995 9.4316 9.4316 9.5214 9.5214 9.7016 9.7016 9.7503 9.7503 9.7814 9.7814 10.3529 10.3529 11.4813 11.4813 k = 0.3095 0.5361 0.6169 ( 3094 PWs) bands (ev): 0.9081 0.9081 1.1834 1.1834 1.4437 1.4437 4.2562 4.2562 4.6191 4.6191 4.8410 4.8410 6.9816 6.9816 7.1004 7.1004 7.6723 7.6723 7.9492 7.9492 8.0733 8.0733 8.6487 8.6487 8.8045 8.8045 9.2924 9.2924 9.3997 9.3997 9.4153 9.4153 9.5593 9.5593 9.7003 9.7003 9.7504 9.7504 9.7957 9.7957 10.3514 10.3514 11.4605 11.4605 k = 0.3016 0.5224 0.6169 ( 3098 PWs) bands (ev): 0.8597 0.8597 1.2326 1.2326 1.4319 1.4319 4.2162 4.2162 4.6912 4.6912 4.8597 4.8597 6.9599 6.9599 7.1211 7.1211 7.6257 7.6257 7.9866 7.9866 8.0766 8.0766 8.6232 8.6232 8.8321 8.8321 9.2467 9.2467 9.3914 9.3914 9.4022 9.4022 9.5981 9.5981 9.6994 9.6994 9.7540 9.7540 9.8102 9.8102 10.3494 10.3494 11.4334 11.4334 k = 0.2937 0.5086 0.6169 ( 3102 PWs) bands (ev): 0.8104 0.8104 1.2832 1.2832 1.4162 1.4162 4.1833 4.1833 4.7655 4.7655 4.8835 4.8835 6.9379 6.9379 7.1425 7.1425 7.5801 7.5801 8.0207 8.0207 8.0810 8.0810 8.5976 8.5976 8.8604 8.8604 9.1995 9.1995 9.3660 9.3660 9.4020 9.4020 9.6366 9.6366 9.6985 9.6985 9.7613 9.7613 9.8246 9.8246 10.3467 10.3467 11.4011 11.4011 k = 0.2857 0.4949 0.6169 ( 3110 PWs) bands (ev): 0.7602 0.7602 1.3351 1.3351 1.3969 1.3969 4.1574 4.1574 4.8420 4.8420 4.9121 4.9121 6.9159 6.9159 7.1648 7.1648 7.5355 7.5355 8.0512 8.0512 8.0869 8.0869 8.5718 8.5718 8.8890 8.8890 9.1513 9.1513 9.3367 9.3367 9.4026 9.4026 9.6737 9.6737 9.6982 9.6982 9.7716 9.7716 9.8387 9.8387 10.3434 10.3434 11.3647 11.3647 k = 0.2778 0.4811 0.6169 ( 3112 PWs) bands (ev): 0.7095 0.7095 1.3715 1.3715 1.3907 1.3907 4.1385 4.1385 4.9205 4.9205 4.9455 4.9455 6.8945 6.8945 7.1878 7.1878 7.4920 7.4920 8.0769 8.0769 8.0952 8.0952 8.5459 8.5459 8.9177 8.9177 9.1025 9.1025 9.3053 9.3053 9.4033 9.4033 9.6936 9.6936 9.7142 9.7142 9.7844 9.7844 9.8526 9.8526 10.3395 10.3395 11.3252 11.3252 k = 0.2698 0.4674 0.6169 ( 3120 PWs) bands (ev): 0.6583 0.6583 1.3457 1.3457 1.4442 1.4442 4.1263 4.1263 4.9828 4.9828 5.0016 5.0016 6.8740 6.8740 7.2116 7.2116 7.4499 7.4499 8.0933 8.0933 8.1107 8.1107 8.5199 8.5199 8.9455 8.9455 9.0540 9.0540 9.2722 9.2722 9.4042 9.4042 9.6942 9.6942 9.7480 9.7480 9.7994 9.7994 9.8663 9.8663 10.3351 10.3351 11.2833 11.2833 k = 0.2619 0.4536 0.6169 ( 3112 PWs) bands (ev): 0.6070 0.6070 1.3152 1.3152 1.5000 1.5000 4.1204 4.1204 5.0252 5.0252 5.0840 5.0840 6.8545 6.8545 7.2361 7.2361 7.4091 7.4091 8.1033 8.1033 8.1306 8.1306 8.4941 8.4941 8.9675 8.9675 9.0106 9.0106 9.2384 9.2384 9.4050 9.4050 9.6948 9.6948 9.7791 9.7791 9.8176 9.8176 9.8800 9.8800 10.3301 10.3301 11.2397 11.2397 k = 0.2540 0.4399 0.6169 ( 3112 PWs) bands (ev): 0.5557 0.5557 1.2814 1.2814 1.5570 1.5570 4.1204 4.1204 5.0716 5.0716 5.1683 5.1683 6.8366 6.8366 7.2614 7.2614 7.3699 7.3699 8.1125 8.1125 8.1490 8.1490 8.4684 8.4684 8.9455 8.9455 9.0098 9.0098 9.2049 9.2049 9.4059 9.4059 9.6963 9.6963 9.8045 9.8045 9.8400 9.8400 9.8943 9.8943 10.3245 10.3245 11.1948 11.1948 k = 0.2460 0.4261 0.6169 ( 3112 PWs) bands (ev): 0.5045 0.5045 1.2446 1.2446 1.6150 1.6150 4.1259 4.1259 5.1219 5.1219 5.2543 5.2543 6.8205 6.8205 7.2874 7.2874 7.3323 7.3323 8.1221 8.1221 8.1649 8.1649 8.4428 8.4428 8.8989 8.8989 9.0302 9.0302 9.1740 9.1740 9.4068 9.4068 9.6989 9.6989 9.8241 9.8241 9.8649 9.8649 9.9104 9.9104 10.3184 10.3184 11.1491 11.1491 k = 0.2381 0.4124 0.6169 ( 3124 PWs) bands (ev): 0.4537 0.4537 1.2053 1.2053 1.6739 1.6739 4.1361 4.1361 5.1759 5.1759 5.3418 5.3418 6.8066 6.8066 7.2962 7.2962 7.3143 7.3143 8.1322 8.1322 8.1780 8.1780 8.4175 8.4175 8.8507 8.8507 9.0431 9.0431 9.1516 9.1516 9.4077 9.4077 9.7027 9.7027 9.8406 9.8406 9.8872 9.8872 9.9302 9.9302 10.3117 10.3117 11.1028 11.1028 k = 0.2302 0.3986 0.6169 ( 3120 PWs) bands (ev): 0.4034 0.4034 1.1637 1.1637 1.7335 1.7335 4.1505 4.1505 5.2336 5.2336 5.4307 5.4307 6.7954 6.7954 7.2623 7.2623 7.3418 7.3418 8.1428 8.1428 8.1888 8.1888 8.3924 8.3924 8.8027 8.8027 9.0364 9.0364 9.1482 9.1482 9.4087 9.4087 9.7077 9.7077 9.8556 9.8556 9.9044 9.9044 9.9548 9.9548 10.3045 10.3045 11.0563 11.0563 k = 0.2222 0.3849 0.6169 ( 3116 PWs) bands (ev): 0.3537 0.3537 1.1205 1.1205 1.7937 1.7937 4.1684 4.1684 5.2948 5.2948 5.5208 5.5208 6.7871 6.7871 7.2303 7.2303 7.3701 7.3701 8.1539 8.1539 8.1970 8.1970 8.3676 8.3676 8.7556 8.7556 9.0108 9.0108 9.1630 9.1630 9.4096 9.4096 9.7141 9.7141 9.8697 9.8697 9.9177 9.9177 9.9818 9.9818 10.2968 10.2968 11.0095 11.0095 k = 0.2143 0.3712 0.6169 ( 3116 PWs) bands (ev): 0.3047 0.3047 1.0758 1.0758 1.8544 1.8544 4.1891 4.1891 5.3592 5.3592 5.6119 5.6119 6.7821 6.7821 7.2004 7.2004 7.3992 7.3992 8.1652 8.1652 8.2031 8.2031 8.3433 8.3433 8.7095 8.7095 8.9762 8.9762 9.1856 9.1856 9.4106 9.4106 9.7217 9.7217 9.8831 9.8831 9.9286 9.9286 10.0092 10.0092 10.2887 10.2887 10.9626 10.9626 k = 0.2063 0.3574 0.6169 ( 3112 PWs) bands (ev): 0.2567 0.2567 1.0302 1.0302 1.9154 1.9154 4.2120 4.2120 5.4266 5.4266 5.7039 5.7039 6.7807 6.7807 7.1727 7.1727 7.4290 7.4290 8.1762 8.1762 8.2076 8.2076 8.3195 8.3195 8.6649 8.6649 8.9376 8.9376 9.2107 9.2107 9.4115 9.4115 9.7304 9.7304 9.8959 9.8959 9.9383 9.9383 10.0357 10.0357 10.2801 10.2801 10.9157 10.9157 k = 0.1984 0.3437 0.6169 ( 3120 PWs) bands (ev): 0.2097 0.2097 0.9839 0.9839 1.9766 1.9766 4.2364 4.2364 5.4970 5.4970 5.7966 5.7966 6.7831 6.7831 7.1474 7.1474 7.4596 7.4596 8.1855 8.1855 8.2119 8.2119 8.2961 8.2961 8.6217 8.6217 8.8972 8.8972 9.2364 9.2364 9.4125 9.4125 9.7403 9.7403 9.9079 9.9079 9.9470 9.9470 10.0606 10.0606 10.2709 10.2709 10.8687 10.8687 k = 0.1905 0.3299 0.6169 ( 3124 PWs) bands (ev): 0.1638 0.1638 0.9373 0.9373 2.0378 2.0378 4.2617 4.2617 5.5701 5.5701 5.8898 5.8898 6.7897 6.7897 7.1245 7.1245 7.4908 7.4908 8.1905 8.1905 8.2185 8.2185 8.2737 8.2737 8.5802 8.5802 8.8555 8.8555 9.2619 9.2619 9.4134 9.4134 9.7512 9.7512 9.9195 9.9195 9.9549 9.9549 10.0836 10.0836 10.2615 10.2615 10.8217 10.8217 k = 0.1825 0.3162 0.6169 ( 3122 PWs) bands (ev): 0.1192 0.1192 0.8909 0.8909 2.0988 2.0988 4.2872 4.2872 5.6457 5.6457 5.9831 5.9831 6.8005 6.8005 7.1042 7.1042 7.5228 7.5228 8.1903 8.1903 8.2277 8.2277 8.2532 8.2532 8.5406 8.5406 8.8128 8.8128 9.2866 9.2866 9.4143 9.4143 9.7631 9.7631 9.9304 9.9304 9.9622 9.9622 10.1042 10.1042 10.2516 10.2516 10.7746 10.7746 k = 0.1746 0.3024 0.6169 ( 3130 PWs) bands (ev): 0.0759 0.0759 0.8447 0.8447 2.1595 2.1595 4.3125 4.3125 5.7237 5.7237 6.0764 6.0764 6.8158 6.8158 7.0866 7.0866 7.5556 7.5556 8.1863 8.1863 8.2259 8.2259 8.2464 8.2464 8.5031 8.5031 8.7694 8.7694 9.3102 9.3102 9.4151 9.4151 9.7756 9.7756 9.9407 9.9407 9.9690 9.9690 10.1222 10.1222 10.2412 10.2412 10.7274 10.7274 k = 0.1667 0.2887 0.6169 ( 3122 PWs) bands (ev): 0.0341 0.0341 0.7992 0.7992 2.2196 2.2196 4.3371 4.3371 5.8038 5.8038 6.1694 6.1694 6.8356 6.8356 7.0719 7.0719 7.5890 7.5890 8.1796 8.1796 8.2078 8.2078 8.2581 8.2581 8.4682 8.4682 8.7252 8.7252 9.3327 9.3327 9.4160 9.4160 9.7888 9.7888 9.9503 9.9503 9.9752 9.9752 10.1372 10.1372 10.2306 10.2306 10.6800 10.6800 k = 0.1587 0.2749 0.6169 ( 3130 PWs) bands (ev): -0.0063 -0.0063 0.7546 0.7546 2.2790 2.2790 4.3606 4.3606 5.8858 5.8858 6.2618 6.2618 6.8597 6.8597 7.0600 7.0600 7.6232 7.6232 8.1709 8.1709 8.1891 8.1891 8.2721 8.2721 8.4357 8.4357 8.6804 8.6804 9.3537 9.3537 9.4169 9.4169 9.8023 9.8023 9.9591 9.9591 9.9808 9.9808 10.1490 10.1490 10.2196 10.2196 10.6323 10.6323 k = 0.1508 0.2612 0.6169 ( 3134 PWs) bands (ev): -0.0451 -0.0451 0.7110 0.7110 2.3374 2.3374 4.3827 4.3827 5.9696 5.9696 6.3533 6.3533 6.8880 6.8880 7.0512 7.0512 7.6579 7.6579 8.1602 8.1602 8.1715 8.1715 8.2863 8.2863 8.4063 8.4063 8.6349 8.6349 9.3731 9.3731 9.4177 9.4177 9.8161 9.8161 9.9673 9.9673 9.9860 9.9860 10.1574 10.1574 10.2081 10.2081 10.5844 10.5844 k = 0.1429 0.2474 0.6169 ( 3146 PWs) bands (ev): -0.0822 -0.0822 0.6687 0.6687 2.3946 2.3946 4.4030 4.4030 6.0549 6.0549 6.4434 6.4434 6.9202 6.9202 7.0454 7.0454 7.6933 7.6933 8.1478 8.1478 8.1553 8.1553 8.2998 8.2998 8.3807 8.3807 8.5888 8.5888 9.3907 9.3907 9.4186 9.4186 9.8299 9.8299 9.9747 9.9747 9.9908 9.9908 10.1621 10.1621 10.1962 10.1962 10.5361 10.5361 k = 0.1349 0.2337 0.6169 ( 3136 PWs) bands (ev): -0.1177 -0.1177 0.6280 0.6280 2.4505 2.4505 4.4216 4.4216 6.1414 6.1414 6.5319 6.5319 6.9558 6.9558 7.0429 7.0429 7.7292 7.7292 8.1342 8.1342 8.1406 8.1406 8.3103 8.3103 8.3618 8.3618 8.5422 8.5422 9.4064 9.4064 9.4195 9.4195 9.8439 9.8439 9.9815 9.9815 9.9951 9.9951 10.1632 10.1632 10.1840 10.1840 10.4876 10.4876 k = 0.1270 0.2199 0.6169 ( 3136 PWs) bands (ev): -0.1513 -0.1513 0.5888 0.5888 2.5047 2.5047 4.4382 4.4382 6.2290 6.2290 6.6183 6.6183 6.9942 6.9942 7.0437 7.0437 7.7656 7.7656 8.1203 8.1203 8.1266 8.1266 8.3110 8.3110 8.3558 8.3558 8.4952 8.4952 9.4189 9.4189 9.4215 9.4215 9.8576 9.8576 9.9874 9.9874 9.9990 9.9990 10.1604 10.1604 10.1712 10.1712 10.4388 10.4388 k = 0.1190 0.2062 0.6169 ( 3140 PWs) bands (ev): -0.1832 -0.1832 0.5514 0.5514 2.5570 2.5570 4.4528 4.4528 6.3172 6.3172 6.7022 6.7022 7.0344 7.0344 7.0479 7.0479 7.8022 7.8022 8.1057 8.1057 8.1136 8.1136 8.3017 8.3017 8.3633 8.3633 8.4482 8.4482 9.4206 9.4206 9.4322 9.4322 9.8707 9.8707 9.9924 9.9924 10.0023 10.0023 10.1539 10.1539 10.1580 10.1580 10.3898 10.3898 k = 0.1111 0.1925 0.6169 ( 3140 PWs) bands (ev): -0.2132 -0.2132 0.5159 0.5159 2.6073 2.6073 4.4655 4.4655 6.4059 6.4059 6.7831 6.7831 7.0549 7.0549 7.0765 7.0765 7.8390 7.8390 8.0899 8.0899 8.1025 8.1025 8.2913 8.2913 8.3718 8.3718 8.4052 8.4052 9.4214 9.4214 9.4417 9.4417 9.8834 9.8834 9.9966 9.9966 10.0051 10.0051 10.1437 10.1437 10.1448 10.1448 10.3409 10.3409 k = 0.1032 0.1787 0.6169 ( 3140 PWs) bands (ev): -0.2413 -0.2413 0.4825 0.4825 2.6553 2.6553 4.4764 4.4764 6.4946 6.4946 6.8605 6.8605 7.0657 7.0657 7.1181 7.1181 7.8755 7.8755 8.0730 8.0730 8.0932 8.0932 8.2840 8.2840 8.3447 8.3447 8.3993 8.3993 9.4221 9.4221 9.4491 9.4491 9.8952 9.8952 9.9997 9.9997 10.0073 10.0073 10.1300 10.1300 10.1317 10.1317 10.2924 10.2924 k = 0.0952 0.1650 0.6169 ( 3148 PWs) bands (ev): -0.2675 -0.2675 0.4511 0.4511 2.7008 2.7008 4.4855 4.4855 6.5830 6.5830 6.9340 6.9340 7.0798 7.0798 7.1589 7.1589 7.9109 7.9109 8.0556 8.0556 8.0850 8.0850 8.2798 8.2798 8.2998 8.2998 8.4133 8.4133 9.4226 9.4226 9.4541 9.4541 9.9057 9.9057 10.0015 10.0015 10.0089 10.0089 10.1150 10.1150 10.1171 10.1171 10.2445 10.2445 k = 0.0873 0.1512 0.6169 ( 3154 PWs) bands (ev): -0.2917 -0.2917 0.4220 0.4220 2.7435 2.7435 4.4930 4.4930 6.6707 6.6707 7.0030 7.0030 7.0971 7.0971 7.1977 7.1977 7.9429 7.9429 8.0397 8.0397 8.0778 8.0778 8.2473 8.2473 8.2877 8.2877 8.4292 8.4292 9.4232 9.4232 9.4572 9.4572 9.9148 9.9148 10.0014 10.0014 10.0099 10.0099 10.0987 10.0987 10.1023 10.1023 10.1982 10.1982 k = 0.0794 0.1375 0.6169 ( 3146 PWs) bands (ev): -0.3139 -0.3139 0.3952 0.3952 2.7832 2.7832 4.4992 4.4992 6.7571 6.7571 7.0669 7.0669 7.1180 7.1180 7.2339 7.2339 7.9637 7.9637 8.0327 8.0327 8.0711 8.0711 8.1998 8.1998 8.2972 8.2972 8.4454 8.4454 9.4237 9.4237 9.4583 9.4583 9.9218 9.9218 9.9987 9.9987 10.0104 10.0104 10.0816 10.0816 10.0878 10.0878 10.1546 10.1546 k = 0.0714 0.1237 0.6169 ( 3142 PWs) bands (ev): -0.3340 -0.3340 0.3707 0.3707 2.8198 2.8198 4.5041 4.5041 6.8418 6.8418 7.1234 7.1234 7.1438 7.1438 7.2665 7.2665 7.9601 7.9601 8.0464 8.0464 8.0647 8.0647 8.1533 8.1533 8.3133 8.3133 8.4617 8.4617 9.4240 9.4240 9.4576 9.4576 9.9254 9.9254 9.9934 9.9934 10.0097 10.0097 10.0647 10.0647 10.0725 10.0725 10.1168 10.1168 k = 0.0635 0.1100 0.6169 ( 3142 PWs) bands (ev): -0.3521 -0.3521 0.3486 0.3486 2.8531 2.8531 4.5080 4.5080 6.9242 6.9242 7.1619 7.1619 7.1846 7.1846 7.2950 7.2950 7.9398 7.9398 8.0572 8.0572 8.0694 8.0694 8.1130 8.1130 8.3352 8.3352 8.4777 8.4777 9.4244 9.4244 9.4553 9.4553 9.9240 9.9240 9.9860 9.9860 10.0067 10.0067 10.0477 10.0477 10.0538 10.0538 10.0913 10.0913 k = 0.0556 0.0962 0.6169 ( 3142 PWs) bands (ev): -0.3681 -0.3681 0.3291 0.3291 2.8829 2.8829 4.5110 4.5110 7.0034 7.0034 7.1913 7.1913 7.2308 7.2308 7.3193 7.3193 7.9128 7.9128 8.0454 8.0454 8.0596 8.0596 8.1145 8.1145 8.3612 8.3612 8.4935 8.4935 9.4248 9.4248 9.4517 9.4517 9.9161 9.9161 9.9764 9.9764 9.9996 9.9996 10.0254 10.0254 10.0410 10.0410 10.0791 10.0791 k = 0.0476 0.0825 0.6169 ( 3142 PWs) bands (ev): -0.3820 -0.3820 0.3120 0.3120 2.9090 2.9090 4.5133 4.5133 7.0787 7.0787 7.2210 7.2210 7.2720 7.2720 7.3394 7.3394 7.8819 7.8819 8.0109 8.0109 8.0495 8.0495 8.1410 8.1410 8.3895 8.3895 8.5091 8.5091 9.4251 9.4251 9.4472 9.4472 9.9020 9.9020 9.9614 9.9614 9.9882 9.9882 10.0087 10.0087 10.0349 10.0349 10.0735 10.0735 k = 0.0397 0.0687 0.6169 ( 3146 PWs) bands (ev): -0.3938 -0.3938 0.2975 0.2975 2.9313 2.9313 4.5149 4.5149 7.1489 7.1489 7.2511 7.2511 7.3071 7.3071 7.3557 7.3557 7.8485 7.8485 7.9733 7.9733 8.0441 8.0441 8.1673 8.1673 8.4178 8.4178 8.5244 8.5244 9.4253 9.4253 9.4423 9.4423 9.8841 9.8841 9.9414 9.9414 9.9741 9.9741 10.0020 10.0020 10.0322 10.0322 10.0707 10.0707 k = 0.0317 0.0550 0.6169 ( 3146 PWs) bands (ev): -0.4035 -0.4035 0.2856 0.2856 2.9498 2.9498 4.5161 4.5161 7.2125 7.2125 7.2805 7.2805 7.3356 7.3356 7.3687 7.3687 7.8142 7.8142 7.9387 7.9387 8.0399 8.0399 8.1906 8.1906 8.4436 8.4436 8.5394 8.5394 9.4255 9.4255 9.4373 9.4373 9.8654 9.8654 9.9219 9.9219 9.9597 9.9597 10.0003 10.0003 10.0310 10.0310 10.0695 10.0695 k = 0.0238 0.0412 0.6169 ( 3146 PWs) bands (ev): -0.4110 -0.4110 0.2763 0.2763 2.9642 2.9642 4.5169 4.5169 7.2677 7.2677 7.3077 7.3077 7.3575 7.3575 7.3787 7.3787 7.7813 7.7813 7.9088 7.9088 8.0367 8.0367 8.2098 8.2098 8.4645 8.4645 8.5537 8.5537 9.4255 9.4255 9.4329 9.4329 9.8485 9.8485 9.9055 9.9055 9.9470 9.9470 10.0003 10.0003 10.0305 10.0305 10.0689 10.0689 k = 0.0159 0.0275 0.6169 ( 3148 PWs) bands (ev): -0.4164 -0.4164 0.2697 0.2697 2.9746 2.9746 4.5174 4.5174 7.3116 7.3116 7.3303 7.3303 7.3721 7.3721 7.3865 7.3865 7.7528 7.7528 7.8850 7.8850 8.0342 8.0342 8.2241 8.2241 8.4795 8.4795 8.5660 8.5660 9.4252 9.4252 9.4297 9.4297 9.8353 9.8353 9.8930 9.8930 9.9370 9.9370 10.0007 10.0007 10.0303 10.0303 10.0688 10.0688 k = 0.0079 0.0137 0.6169 ( 3144 PWs) bands (ev): -0.4197 -0.4197 0.2657 0.2657 2.9808 2.9808 4.5177 4.5177 7.3406 7.3406 7.3455 7.3455 7.3798 7.3798 7.3924 7.3924 7.7329 7.7329 7.8693 7.8693 8.0328 8.0328 8.2329 8.2329 8.4883 8.4883 8.5744 8.5744 9.4247 9.4247 9.4279 9.4279 9.8270 9.8270 9.8853 9.8853 9.9308 9.9308 10.0011 10.0011 10.0302 10.0302 10.0688 10.0688 k = 0.0000 0.0000 0.6169 ( 3148 PWs) bands (ev): -0.4207 -0.4207 0.2644 0.2644 2.9829 2.9829 4.5178 4.5178 7.3508 7.3508 7.3510 7.3510 7.3820 7.3820 7.3946 7.3946 7.7256 7.7256 7.8638 7.8638 8.0323 8.0323 8.2359 8.2359 8.4912 8.4912 8.5775 8.5775 9.4244 9.4244 9.4275 9.4275 9.8241 9.8241 9.8826 9.8826 9.9286 9.9286 10.0011 10.0011 10.0302 10.0302 10.0687 10.0687 k = 0.5000 0.2887 0.6169 ( 3136 PWs) bands (ev): 0.5732 0.5732 1.2987 1.2987 1.4838 1.4838 3.7284 3.7284 5.6594 5.6594 6.1333 6.1333 6.4507 6.4507 6.7314 6.7314 6.8457 6.8457 8.1231 8.1231 8.6425 8.6425 8.6948 8.6948 8.8197 8.8197 8.8366 8.8366 9.0502 9.0502 9.4046 9.4046 9.4414 9.4414 9.8761 9.8761 9.9586 9.9586 10.0487 10.0487 10.1122 10.1122 10.8845 10.8845 k = 0.5000 0.2887 0.6011 ( 3136 PWs) bands (ev): 0.5705 0.5705 1.2856 1.2856 1.4959 1.4959 3.7330 3.7330 5.6616 5.6616 6.1337 6.1337 6.4340 6.4340 6.7472 6.7472 6.8457 6.8457 8.1227 8.1227 8.6336 8.6336 8.6941 8.6941 8.8280 8.8280 8.8388 8.8388 9.0446 9.0446 9.4015 9.4015 9.4467 9.4467 9.8846 9.8846 9.9587 9.9587 10.0489 10.0489 10.1116 10.1116 10.8871 10.8871 k = 0.5000 0.2887 0.5853 ( 3142 PWs) bands (ev): 0.5624 0.5624 1.2533 1.2533 1.5252 1.5252 3.7467 3.7467 5.6681 5.6681 6.1347 6.1347 6.3921 6.3921 6.7862 6.7862 6.8459 6.8459 8.1215 8.1215 8.6114 8.6114 8.6914 8.6914 8.8411 8.8411 8.8530 8.8530 9.0299 9.0299 9.3885 9.3885 9.4660 9.4660 9.9085 9.9085 9.9589 9.9589 10.0492 10.0492 10.1098 10.1098 10.8947 10.8947 k = 0.5000 0.2887 0.5694 ( 3142 PWs) bands (ev): 0.5491 0.5491 1.2113 1.2113 1.5621 1.5621 3.7693 3.7693 5.6788 5.6788 6.1363 6.1363 6.3371 6.3371 6.8319 6.8319 6.8508 6.8508 8.1196 8.1196 8.5830 8.5830 8.6863 8.6863 8.8494 8.8494 8.8795 8.8795 9.0117 9.0117 9.3664 9.3664 9.4980 9.4980 9.9435 9.9435 9.9609 9.9609 10.0500 10.0500 10.1072 10.1072 10.9075 10.9075 k = 0.5000 0.2887 0.5536 ( 3134 PWs) bands (ev): 0.5309 0.5309 1.1648 1.1648 1.6017 1.6017 3.8004 3.8004 5.6939 5.6939 6.1383 6.1383 6.2762 6.2762 6.8412 6.8412 6.8966 6.8966 8.1169 8.1169 8.5521 8.5521 8.6796 8.6796 8.8593 8.8593 8.8989 8.8989 9.0020 9.0020 9.3389 9.3389 9.5386 9.5386 9.9568 9.9568 9.9933 9.9933 10.0519 10.0519 10.1043 10.1043 10.9255 10.9255 k = 0.5000 0.2887 0.5378 ( 3134 PWs) bands (ev): 0.5081 0.5081 1.1159 1.1159 1.6416 1.6416 3.8399 3.8399 5.7132 5.7132 6.1393 6.1393 6.2137 6.2137 6.8408 6.8408 6.9534 6.9534 8.1133 8.1133 8.5205 8.5205 8.6717 8.6717 8.8706 8.8706 8.8945 8.8945 9.0171 9.0171 9.3087 9.3087 9.5845 9.5845 9.9575 9.9575 10.0353 10.0353 10.0621 10.0621 10.1037 10.1037 10.9485 10.9485 k = 0.5000 0.2887 0.5220 ( 3126 PWs) bands (ev): 0.4812 0.4812 1.0657 1.0657 1.6810 1.6810 3.8870 3.8870 5.7367 5.7367 6.1260 6.1260 6.1648 6.1648 6.8396 6.8396 7.0107 7.0107 8.1088 8.1088 8.4893 8.4893 8.6631 8.6631 8.8708 8.8708 8.8836 8.8836 9.0528 9.0528 9.2778 9.2778 9.6334 9.6334 9.9577 9.9577 10.0458 10.0458 10.0861 10.0861 10.1278 10.1278 10.9767 10.9767 k = 0.5000 0.2887 0.5062 ( 3130 PWs) bands (ev): 0.4506 0.4506 1.0148 1.0148 1.7191 1.7191 3.9414 3.9414 5.7643 5.7643 6.0702 6.0702 6.1584 6.1584 6.8380 6.8380 7.0670 7.0670 8.1033 8.1033 8.4588 8.4588 8.6541 8.6541 8.8405 8.8405 8.8970 8.8970 9.0974 9.0974 9.2473 9.2473 9.6832 9.6832 9.9576 9.9576 10.0471 10.0471 10.0887 10.0887 10.1883 10.1883 11.0100 11.0100 k = 0.5000 0.2887 0.4904 ( 3124 PWs) bands (ev): 0.4168 0.4168 0.9637 0.9637 1.7556 1.7556 4.0024 4.0024 5.7958 5.7958 6.0051 6.0051 6.1624 6.1624 6.8361 6.8361 7.1219 7.1219 8.0965 8.0965 8.4296 8.4296 8.6449 8.6449 8.8080 8.8080 8.9114 8.9114 9.1455 9.1455 9.2190 9.2190 9.7319 9.7319 9.9575 9.9575 10.0471 10.0471 10.0903 10.0903 10.2577 10.2577 11.0485 11.0485 k = 0.5000 0.2887 0.4745 ( 3122 PWs) bands (ev): 0.3803 0.3803 0.9126 0.9126 1.7904 1.7904 4.0695 4.0695 5.8303 5.8303 5.9400 5.9400 6.1683 6.1683 6.8341 6.8341 7.1747 7.1747 8.0884 8.0884 8.4019 8.4019 8.6356 8.6356 8.7751 8.7751 8.9262 8.9262 9.1788 9.1788 9.2101 9.2101 9.7768 9.7768 9.9574 9.9574 10.0471 10.0471 10.0956 10.0956 10.3314 10.3314 11.0923 11.0923 k = 0.5000 0.2887 0.4587 ( 3128 PWs) bands (ev): 0.3416 0.3416 0.8618 0.8618 1.8232 1.8232 4.1421 4.1421 5.8541 5.8541 5.8898 5.8898 6.1754 6.1754 6.8319 6.8319 7.2253 7.2253 8.0787 8.0787 8.3758 8.3758 8.6262 8.6262 8.7426 8.7426 8.9413 8.9413 9.1594 9.1594 9.2583 9.2583 9.8145 9.8145 9.9571 9.9571 10.0480 10.0480 10.1071 10.1071 10.4081 10.4081 11.1415 11.1415 k = 0.5000 0.2887 0.4429 ( 3132 PWs) bands (ev): 0.3011 0.3011 0.8115 0.8115 1.8539 1.8539 4.2196 4.2196 5.8023 5.8023 5.9197 5.9197 6.1834 6.1834 6.8295 6.8295 7.2733 7.2733 8.0673 8.0673 8.3515 8.3515 8.6166 8.6166 8.7109 8.7109 8.9566 8.9566 9.1363 9.1363 9.3147 9.3147 9.8414 9.8414 9.9567 9.9567 10.0503 10.0503 10.1276 10.1276 10.4869 10.4869 11.1961 11.1961 k = 0.5000 0.2887 0.4271 ( 3128 PWs) bands (ev): 0.2593 0.2593 0.7618 0.7618 1.8825 1.8825 4.3015 4.3015 5.7390 5.7390 5.9656 5.9656 6.1923 6.1923 6.8271 6.8271 7.3185 7.3185 8.0543 8.0543 8.3293 8.3293 8.6069 8.6069 8.6804 8.6804 8.9718 8.9718 9.1154 9.1154 9.3739 9.3739 9.8561 9.8561 9.9564 9.9564 10.0536 10.0536 10.1590 10.1590 10.5672 10.5672 11.2563 11.2563 k = 0.5000 0.2887 0.4113 ( 3132 PWs) bands (ev): 0.2166 0.2166 0.7129 0.7129 1.9090 1.9090 4.3872 4.3872 5.6760 5.6760 6.0157 6.0157 6.2022 6.2022 6.8246 6.8246 7.3609 7.3609 8.0393 8.0393 8.3091 8.3091 8.5964 8.5964 8.6517 8.6517 8.9861 8.9861 9.0975 9.0975 9.4353 9.4353 9.8597 9.8597 9.9561 9.9561 10.0572 10.0572 10.2006 10.2006 10.6481 10.6481 11.3220 11.3220 k = 0.5000 0.2887 0.3954 ( 3136 PWs) bands (ev): 0.1734 0.1734 0.6650 0.6650 1.9333 1.9333 4.4762 4.4762 5.6142 5.6142 6.0688 6.0688 6.2133 6.2133 6.8220 6.8220 7.4003 7.4003 8.0225 8.0225 8.2911 8.2911 8.5841 8.5841 8.6259 8.6259 8.9986 8.9986 9.0837 9.0837 9.4988 9.4988 9.8550 9.8550 9.9559 9.9559 10.0609 10.0609 10.2496 10.2496 10.7289 10.7289 11.3931 11.3931 k = 0.5000 0.2887 0.3796 ( 3132 PWs) bands (ev): 0.1300 0.1300 0.6181 0.6181 1.9555 1.9555 4.5681 4.5681 5.5539 5.5539 6.1237 6.1237 6.2267 6.2267 6.8195 6.8195 7.4367 7.4367 8.0038 8.0038 8.2750 8.2750 8.5678 8.5678 8.6052 8.6052 9.0074 9.0074 9.0762 9.0762 9.5643 9.5643 9.8445 9.8445 9.9557 9.9557 10.0643 10.0643 10.3037 10.3037 10.8088 10.8088 11.4698 11.4698 k = 0.5000 0.2887 0.3638 ( 3132 PWs) bands (ev): 0.0866 0.0866 0.5724 0.5724 1.9756 1.9756 4.6622 4.6622 5.4951 5.4951 6.1766 6.1766 6.2454 6.2454 6.8171 6.8171 7.4701 7.4701 7.9834 7.9834 8.2607 8.2607 8.5464 8.5464 8.5906 8.5906 9.0102 9.0102 9.0768 9.0768 9.6319 9.6319 9.8303 9.8303 9.9556 9.9556 10.0677 10.0677 10.3608 10.3608 10.8866 10.8866 11.5518 11.5518 k = 0.5000 0.2887 0.3480 ( 3124 PWs) bands (ev): 0.0437 0.0437 0.5280 0.5280 1.9938 1.9938 4.7581 4.7581 5.4382 5.4382 6.2167 6.2167 6.2804 6.2804 6.8149 6.8149 7.5004 7.5004 7.9614 7.9614 8.2481 8.2481 8.5220 8.5220 8.5800 8.5800 9.0078 9.0078 9.0851 9.0851 9.7014 9.7014 9.8135 9.8135 9.9554 9.9554 10.0712 10.0712 10.4198 10.4198 10.9613 10.9613 11.6389 11.6389 k = 0.5000 0.2887 0.3322 ( 3124 PWs) bands (ev): 0.0014 0.0014 0.4850 0.4850 2.0100 2.0100 4.8554 4.8554 5.3831 5.3831 6.2392 6.2392 6.3358 6.3358 6.8128 6.8128 7.5278 7.5278 7.9379 7.9379 8.2370 8.2370 8.4966 8.4966 8.5714 8.5714 9.0030 9.0030 9.0976 9.0976 9.7719 9.7719 9.7956 9.7956 9.9551 9.9551 10.0746 10.0746 10.4800 10.4800 11.0320 11.0320 11.7308 11.7308 k = 0.5000 0.2887 0.3164 ( 3132 PWs) bands (ev): -0.0401 -0.0401 0.4435 0.4435 2.0244 2.0244 4.9536 4.9536 5.3301 5.3301 6.2550 6.2550 6.4004 6.4004 6.8109 6.8109 7.5523 7.5523 7.9129 7.9129 8.2270 8.2270 8.4708 8.4708 8.5637 8.5637 8.9981 8.9981 9.1122 9.1122 9.7734 9.7734 9.8471 9.8471 9.9549 9.9549 10.0782 10.0782 10.5410 10.5410 11.0975 11.0975 11.8267 11.8267 k = 0.5000 0.2887 0.3005 ( 3132 PWs) bands (ev): -0.0805 -0.0805 0.4035 0.4035 2.0370 2.0370 5.0521 5.0521 5.2792 5.2792 6.2688 6.2688 6.4692 6.4692 6.8094 6.8094 7.5741 7.5741 7.8870 7.8870 8.2182 8.2182 8.4451 8.4451 8.5568 8.5568 8.9939 8.9939 9.1276 9.1276 9.7521 9.7521 9.9218 9.9218 9.9548 9.9548 10.0826 10.0826 10.6026 10.6026 11.1572 11.1572 11.9261 11.9261 k = 0.5000 0.2887 0.2847 ( 3134 PWs) bands (ev): -0.1196 -0.1196 0.3652 0.3652 2.0481 2.0481 5.1502 5.1502 5.2310 5.2310 6.2820 6.2820 6.5404 6.5404 6.8082 6.8082 7.5932 7.5932 7.8599 7.8599 8.2103 8.2103 8.4194 8.4194 8.5504 8.5504 8.9908 8.9908 9.1433 9.1433 9.7297 9.7297 9.9541 9.9541 9.9970 9.9970 10.0891 10.0891 10.6648 10.6648 11.2104 11.2104 12.0276 12.0276 k = 0.5000 0.2887 0.2689 ( 3130 PWs) bands (ev): -0.1574 -0.1574 0.3286 0.3286 2.0577 2.0577 5.1823 5.1823 5.2504 5.2504 6.2949 6.2949 6.6133 6.6133 6.8077 6.8077 7.6098 7.6098 7.8319 7.8319 8.2031 8.2031 8.3937 8.3937 8.5445 8.5445 8.9890 8.9890 9.1592 9.1592 9.7067 9.7067 9.9540 9.9540 10.0594 10.0594 10.1104 10.1104 10.7273 10.7273 11.2572 11.2572 12.1287 12.1287 k = 0.5000 0.2887 0.2531 ( 3120 PWs) bands (ev): -0.1936 -0.1936 0.2938 0.2938 2.0660 2.0660 5.1388 5.1388 5.3468 5.3468 6.3075 6.3075 6.6873 6.6873 6.8080 6.8080 7.6242 7.6242 7.8029 7.8029 8.1966 8.1966 8.3679 8.3679 8.5391 8.5391 8.9883 8.9883 9.1748 9.1748 9.6834 9.6834 9.9538 9.9538 10.0799 10.0799 10.1756 10.1756 10.7902 10.7902 11.2976 11.2976 12.2244 12.2244 k = 0.5000 0.2887 0.2373 ( 3124 PWs) bands (ev): -0.2282 -0.2282 0.2608 0.2608 2.0730 2.0730 5.0971 5.0971 5.4424 5.4424 6.3199 6.3199 6.7611 6.7611 6.8100 6.8100 7.6365 7.6365 7.7729 7.7729 8.1907 8.1907 8.3418 8.3418 8.5339 8.5339 8.9887 8.9887 9.1900 9.1900 9.6598 9.6598 9.9534 9.9534 10.0862 10.0862 10.2571 10.2571 10.8532 10.8532 11.3318 11.3318 12.3035 12.3035 k = 0.5000 0.2887 0.2214 ( 3124 PWs) bands (ev): -0.2609 -0.2609 0.2297 0.2297 2.0789 2.0789 5.0577 5.0577 5.5361 5.5361 6.3320 6.3320 6.8061 6.8061 6.8421 6.8421 7.6469 7.6469 7.7421 7.7421 8.1852 8.1852 8.3153 8.3153 8.5291 8.5291 8.9900 8.9900 9.2048 9.2048 9.6361 9.6361 9.9531 9.9531 10.0903 10.0903 10.3428 10.3428 10.9165 10.9165 11.3607 11.3607 12.3490 12.3490 k = 0.5000 0.2887 0.2056 ( 3132 PWs) bands (ev): -0.2918 -0.2918 0.2005 0.2005 2.0839 2.0839 5.0208 5.0208 5.6272 5.6272 6.3437 6.3437 6.8108 6.8108 6.9156 6.9156 7.6555 7.6555 7.7103 7.7103 8.1802 8.1802 8.2882 8.2882 8.5246 8.5246 8.9920 8.9920 9.2191 9.2191 9.6127 9.6127 9.9528 9.9528 10.0936 10.0936 10.4310 10.4310 10.9796 10.9796 11.3847 11.3847 12.3583 12.3583 k = 0.5000 0.2887 0.1898 ( 3132 PWs) bands (ev): -0.3207 -0.3207 0.1733 0.1733 2.0879 2.0879 4.9865 4.9865 5.7153 5.7153 6.3550 6.3550 6.8150 6.8150 6.9907 6.9907 7.6626 7.6626 7.6779 7.6779 8.1755 8.1755 8.2605 8.2605 8.5205 8.5205 8.9946 8.9946 9.2326 9.2326 9.5897 9.5897 9.9526 9.9526 10.0967 10.0967 10.5213 10.5213 11.0425 11.0425 11.4046 11.4046 12.3469 12.3469 k = 0.5000 0.2887 0.1740 ( 3134 PWs) bands (ev): -0.3475 -0.3475 0.1482 0.1482 2.0913 2.0913 4.9547 4.9547 5.7995 5.7995 6.3658 6.3658 6.8206 6.8206 7.0655 7.0655 7.6440 7.6440 7.6690 7.6690 8.1712 8.1712 8.2320 8.2320 8.5167 8.5167 8.9977 8.9977 9.2454 9.2454 9.5673 9.5673 9.9523 9.9523 10.0994 10.0994 10.6131 10.6131 11.1048 11.1048 11.4210 11.4210 12.3275 12.3275 k = 0.5000 0.2887 0.1582 ( 3126 PWs) bands (ev): -0.3723 -0.3723 0.1251 0.1251 2.0939 2.0939 4.9256 4.9256 5.8794 5.8794 6.3761 6.3761 6.8278 6.8278 7.1394 7.1394 7.6100 7.6100 7.6737 7.6737 8.1670 8.1670 8.2027 8.2027 8.5133 8.5133 9.0011 9.0011 9.2575 9.2575 9.5459 9.5459 9.9521 9.9521 10.1020 10.1020 10.7061 10.7061 11.1660 11.1660 11.4345 11.4345 12.3059 12.3059 k = 0.5000 0.2887 0.1424 ( 3128 PWs) bands (ev): -0.3948 -0.3948 0.1041 0.1041 2.0960 2.0960 4.8992 4.8992 5.9541 5.9541 6.3856 6.3856 6.8371 6.8371 7.2122 7.2122 7.5750 7.5750 7.6775 7.6775 8.1609 8.1609 8.1743 8.1743 8.5102 8.5102 9.0046 9.0046 9.2687 9.2687 9.5254 9.5254 9.9518 9.9518 10.1043 10.1043 10.7997 10.7997 11.2254 11.2254 11.4456 11.4456 12.2845 12.2845 k = 0.5000 0.2887 0.1265 ( 3132 PWs) bands (ev): -0.4151 -0.4151 0.0853 0.0853 2.0977 2.0977 4.8754 4.8754 6.0228 6.0228 6.3944 6.3944 6.8486 6.8486 7.2835 7.2835 7.5395 7.5395 7.6805 7.6805 8.1367 8.1367 8.1629 8.1629 8.5074 8.5074 9.0081 9.0081 9.2789 9.2789 9.5063 9.5063 9.9515 9.9515 10.1063 10.1063 10.8933 10.8933 11.2824 11.2824 11.4546 11.4546 12.2647 12.2647 k = 0.5000 0.2887 0.1107 ( 3136 PWs) bands (ev): -0.4332 -0.4332 0.0686 0.0686 2.0989 2.0989 4.8544 4.8544 6.0849 6.0849 6.4025 6.4025 6.8626 6.8626 7.3529 7.3529 7.5037 7.5037 7.6829 7.6829 8.1034 8.1034 8.1593 8.1593 8.5050 8.5050 9.0115 9.0115 9.2881 9.2881 9.4887 9.4887 9.9513 9.9513 10.1081 10.1081 10.9857 10.9857 11.3361 11.3361 11.4619 11.4619 12.2472 12.2472 k = 0.5000 0.2887 0.0949 ( 3136 PWs) bands (ev): -0.4489 -0.4489 0.0540 0.0540 2.0998 2.0998 4.8361 4.8361 6.1395 6.1395 6.4096 6.4096 6.8792 6.8792 7.4202 7.4202 7.4682 7.4682 7.6847 7.6847 8.0680 8.0680 8.1567 8.1567 8.5029 8.5029 9.0146 9.0146 9.2963 9.2963 9.4730 9.4730 9.9511 9.9511 10.1097 10.1097 11.0758 11.0758 11.3855 11.3855 11.4679 11.4679 12.2321 12.2321 k = 0.5000 0.2887 0.0791 ( 3134 PWs) bands (ev): -0.4622 -0.4622 0.0417 0.0417 2.1005 2.1005 4.8206 4.8206 6.1862 6.1862 6.4157 6.4157 6.8979 6.8979 7.4333 7.4333 7.4852 7.4852 7.6861 7.6861 8.0308 8.0308 8.1545 8.1545 8.5011 8.5011 9.0175 9.0175 9.3033 9.3033 9.4592 9.4592 9.9510 9.9510 10.1112 10.1112 11.1615 11.1615 11.4291 11.4291 11.4732 11.4732 12.2197 12.2197 k = 0.5000 0.2887 0.0633 ( 3118 PWs) bands (ev): -0.4731 -0.4731 0.0316 0.0316 2.1010 2.1010 4.8079 4.8079 6.2245 6.2245 6.4209 6.4209 6.9180 6.9180 7.4004 7.4004 7.5471 7.5471 7.6871 7.6871 7.9920 7.9920 8.1528 8.1528 8.4997 8.4997 9.0200 9.0200 9.3092 9.3092 9.4476 9.4476 9.9510 9.9510 10.1125 10.1125 11.2404 11.2404 11.4631 11.4631 11.4809 11.4809 12.2099 12.2099 k = 0.5000 0.2887 0.0475 ( 3114 PWs) bands (ev): -0.4817 -0.4817 0.0238 0.0238 2.1014 2.1014 4.7980 4.7980 6.2542 6.2542 6.4249 6.4249 6.9381 6.9381 7.3706 7.3706 7.6052 7.6052 7.6878 7.6878 7.9521 7.9521 8.1515 8.1515 8.4986 8.4986 9.0220 9.0220 9.3138 9.3138 9.4384 9.4384 9.9509 9.9509 10.1135 10.1135 11.3091 11.3091 11.4749 11.4749 11.5026 11.5026 12.2027 12.2027 k = 0.5000 0.2887 0.0316 ( 3106 PWs) bands (ev): -0.4878 -0.4878 0.0182 0.0182 2.1016 2.1016 4.7910 4.7910 6.2753 6.2753 6.4279 6.4279 6.9557 6.9557 7.3463 7.3463 7.6579 7.6579 7.6883 7.6883 7.9127 7.9127 8.1506 8.1506 8.4978 8.4978 9.0235 9.0235 9.3173 9.3173 9.4317 9.4317 9.9508 9.9508 10.1142 10.1142 11.3634 11.3634 11.4779 11.4779 11.5241 11.5241 12.1977 12.1977 k = 0.5000 0.2887 0.0158 ( 3112 PWs) bands (ev): -0.4914 -0.4914 0.0148 0.0148 2.1017 2.1017 4.7867 4.7867 6.2879 6.2879 6.4296 6.4296 6.9682 6.9682 7.3299 7.3299 7.6885 7.6885 7.7003 7.7003 7.8782 7.8782 8.1500 8.1500 8.4973 8.4973 9.0243 9.0243 9.3193 9.3193 9.4276 9.4276 9.9508 9.9508 10.1146 10.1146 11.3985 11.3985 11.4792 11.4792 11.5377 11.5377 12.1949 12.1949 k = 0.5000 0.2887-0.0000 ( 3112 PWs) bands (ev): -0.4927 -0.4927 0.0136 0.0136 2.1017 2.1017 4.7853 4.7853 6.2921 6.2921 6.4302 6.4302 6.9727 6.9727 7.3241 7.3241 7.6885 7.6885 7.7190 7.7190 7.8623 7.8623 8.1498 8.1498 8.4971 8.4971 9.0246 9.0246 9.3199 9.3199 9.4263 9.4263 9.9508 9.9508 10.1147 10.1147 11.4108 11.4108 11.4797 11.4797 11.5423 11.5423 12.1940 12.1940 k = 0.3333 0.5774-0.0000 ( 3138 PWs) bands (ev): 0.1353 0.1353 0.1418 0.1418 0.7381 0.7381 6.2632 6.2632 6.3704 6.3704 6.4008 6.4008 6.6935 6.6935 6.6937 6.6937 7.6575 7.6575 7.6660 7.6660 7.8263 7.8263 7.9555 7.9555 8.9890 8.9890 9.0682 9.0682 9.2783 9.2783 9.2896 9.2896 9.7674 9.7674 10.2922 10.2922 11.4750 11.4750 11.5219 11.5219 11.6161 11.6161 12.3351 12.3351 k = 0.3333 0.5774 0.0158 ( 3144 PWs) bands (ev): 0.1364 0.1364 0.1429 0.1429 0.7390 0.7390 6.2614 6.2614 6.3653 6.3653 6.3953 6.3953 6.6959 6.6959 6.6964 6.6964 7.6581 7.6581 7.6667 7.6667 7.8268 7.8268 7.9557 7.9557 8.9890 8.9890 9.0679 9.0679 9.2782 9.2782 9.2898 9.2898 9.7668 9.7668 10.2923 10.2923 11.4725 11.4725 11.5232 11.5232 11.6171 11.6171 12.3151 12.3151 k = 0.3333 0.5774 0.0316 ( 3147 PWs) bands (ev): 0.1397 0.1397 0.1462 0.1462 0.7417 0.7417 6.2561 6.2561 6.3506 6.3506 6.3795 6.3795 6.7028 6.7028 6.7043 6.7043 7.6602 7.6602 7.6687 7.6687 7.8286 7.8286 7.9562 7.9562 8.9889 8.9889 9.0672 9.0672 9.2781 9.2781 9.2903 9.2903 9.7653 9.7653 10.2926 10.2926 11.4649 11.4649 11.5270 11.5270 11.6200 11.6200 12.2594 12.2594 k = 0.3333 0.5774 0.0475 ( 3147 PWs) bands (ev): 0.1452 0.1452 0.1517 0.1517 0.7461 0.7461 6.2474 6.2474 6.3274 6.3274 6.3547 6.3547 6.7132 6.7132 6.7159 6.7159 7.6636 7.6636 7.6721 7.6721 7.8317 7.8317 7.9570 7.9570 8.9887 8.9887 9.0660 9.0660 9.2778 9.2778 9.2913 9.2913 9.7627 9.7627 10.2930 10.2930 11.4526 11.4526 11.5330 11.5330 11.6243 11.6243 12.1768 12.1768 k = 0.3333 0.5774 0.0633 ( 3135 PWs) bands (ev): 0.1529 0.1529 0.1594 0.1594 0.7524 0.7524 6.2349 6.2349 6.2971 6.2971 6.3225 6.3225 6.7258 6.7258 6.7297 6.7297 7.6684 7.6684 7.6768 7.6768 7.8361 7.8361 7.9581 7.9581 8.9884 8.9884 9.0642 9.0642 9.2776 9.2776 9.2927 9.2927 9.7593 9.7593 10.2937 10.2937 11.4355 11.4355 11.5408 11.5408 11.6289 11.6289 12.0773 12.0773 k = 0.3333 0.5774 0.0791 ( 3138 PWs) bands (ev): 0.1628 0.1628 0.1692 0.1692 0.7604 0.7604 6.2185 6.2185 6.2610 6.2610 6.2843 6.2843 6.7396 6.7396 6.7447 6.7447 7.6741 7.6741 7.6826 7.6826 7.8421 7.8421 7.9595 7.9595 8.9878 8.9878 9.0617 9.0617 9.2774 9.2774 9.2946 9.2946 9.7546 9.7546 10.2944 10.2944 11.4140 11.4140 11.5491 11.5491 11.6315 11.6315 11.9691 11.9691 k = 0.3333 0.5774 0.0949 ( 3150 PWs) bands (ev): 0.1747 0.1747 0.1812 0.1812 0.7702 0.7702 6.1969 6.1969 6.2213 6.2213 6.2410 6.2410 6.7540 6.7540 6.7599 6.7599 7.6808 7.6808 7.6892 7.6892 7.8499 7.8499 7.9612 7.9612 8.9867 8.9867 9.0583 9.0583 9.2772 9.2772 9.2970 9.2970 9.7489 9.7489 10.2953 10.2953 11.3882 11.3882 11.5546 11.5546 11.6257 11.6257 11.8606 11.8607 k = 0.3333 0.5774 0.1107 ( 3150 PWs) bands (ev): 0.1888 0.1888 0.1952 0.1952 0.7816 0.7816 6.1642 6.1642 6.1847 6.1847 6.1934 6.1934 6.7684 6.7684 6.7751 6.7751 7.6884 7.6884 7.6968 7.6968 7.8596 7.8596 7.9632 7.9632 8.9851 8.9851 9.0541 9.0541 9.2774 9.2774 9.3000 9.3000 9.7425 9.7425 10.2964 10.2964 11.3585 11.3585 11.5470 11.5470 11.5971 11.5971 11.7657 11.7657 k = 0.3333 0.5774 0.1265 ( 3150 PWs) bands (ev): 0.2050 0.2050 0.2114 0.2114 0.7948 0.7948 6.1175 6.1175 6.1421 6.1421 6.1545 6.1545 6.7825 6.7825 6.7898 6.7898 7.6967 7.6967 7.7051 7.7051 7.8716 7.8716 7.9655 7.9655 8.9828 8.9828 9.0489 9.0489 9.2779 9.2779 9.3037 9.3037 9.7351 9.7351 10.2976 10.2976 11.3251 11.3251 11.5020 11.5020 11.5310 11.5310 11.7108 11.7108 k = 0.3333 0.5774 0.1424 ( 3144 PWs) bands (ev): 0.2231 0.2231 0.2295 0.2295 0.8096 0.8096 6.0647 6.0647 6.0873 6.0873 6.1231 6.1231 6.7963 6.7963 6.8041 6.8041 7.7056 7.7056 7.7140 7.7140 7.8861 7.8861 7.9681 7.9681 8.9797 8.9797 9.0426 9.0426 9.2788 9.2788 9.3081 9.3081 9.7270 9.7270 10.2990 10.2990 11.2884 11.2884 11.4142 11.4142 11.4372 11.4372 11.7029 11.7029 k = 0.3333 0.5774 0.1582 ( 3144 PWs) bands (ev): 0.2433 0.2433 0.2496 0.2496 0.8259 0.8259 6.0081 6.0081 6.0295 6.0295 6.0887 6.0887 6.8096 6.8096 6.8178 6.8178 7.7148 7.7148 7.7231 7.7231 7.9031 7.9031 7.9710 7.9710 8.9755 8.9755 9.0352 9.0352 9.2803 9.2803 9.3131 9.3131 9.7180 9.7180 10.3005 10.3005 11.2489 11.2489 11.3083 11.3083 11.3324 11.3324 11.7183 11.7183 k = 0.3333 0.5774 0.1740 ( 3150 PWs) bands (ev): 0.2653 0.2653 0.2717 0.2717 0.8438 0.8438 5.9486 5.9486 5.9689 5.9689 6.0509 6.0509 6.8224 6.8224 6.8309 6.8309 7.7242 7.7242 7.7325 7.7325 7.9229 7.9229 7.9741 7.9741 8.9703 8.9703 9.0267 9.0267 9.2822 9.2822 9.3187 9.3187 9.7083 9.7083 10.3020 10.3020 11.1983 11.1983 11.2055 11.2055 11.2262 11.2262 11.7438 11.7438 k = 0.3333 0.5774 0.1898 ( 3144 PWs) bands (ev): 0.2893 0.2893 0.2956 0.2956 0.8632 0.8632 5.8864 5.8864 5.9058 5.9058 6.0098 6.0098 6.8347 6.8347 6.8435 6.8435 7.7338 7.7338 7.7421 7.7421 7.9456 7.9456 7.9774 7.9774 8.9639 8.9639 9.0171 9.0171 9.2849 9.2849 9.3250 9.3250 9.6980 9.6980 10.3037 10.3037 11.0890 11.0890 11.1166 11.1166 11.1645 11.1645 11.7751 11.7751 k = 0.3333 0.5774 0.2056 ( 3138 PWs) bands (ev): 0.3149 0.3149 0.3212 0.3212 0.8840 0.8840 5.8219 5.8219 5.8405 5.8405 5.9655 5.9655 6.8467 6.8467 6.8557 6.8557 7.7432 7.7432 7.7515 7.7515 7.9712 7.9712 7.9813 7.9813 8.9564 8.9564 9.0064 9.0064 9.2883 9.2883 9.3317 9.3317 9.6871 9.6871 10.3054 10.3054 10.9822 10.9822 11.0126 11.0126 11.1187 11.1187 11.8108 11.8108 k = 0.3333 0.5774 0.2214 ( 3138 PWs) bands (ev): 0.3423 0.3423 0.3485 0.3485 0.9061 0.9061 5.7553 5.7553 5.7732 5.7732 5.9181 5.9181 6.8582 6.8582 6.8674 6.8674 7.7525 7.7525 7.7608 7.7608 7.9844 7.9844 8.0009 8.0009 8.9477 8.9477 8.9946 8.9946 9.2922 9.2922 9.3389 9.3389 9.6757 9.6757 10.3071 10.3071 10.8789 10.8789 10.9118 10.9118 11.0718 11.0718 11.8502 11.8502 k = 0.3333 0.5774 0.2373 ( 3147 PWs) bands (ev): 0.3712 0.3712 0.3774 0.3774 0.9295 0.9295 5.6870 5.6870 5.7043 5.7043 5.8679 5.8679 6.8694 6.8694 6.8787 6.8787 7.7614 7.7614 7.7698 7.7698 7.9885 7.9885 8.0330 8.0330 8.9378 8.9378 8.9819 8.9819 9.2966 9.2966 9.3463 9.3463 9.6639 9.6639 10.3087 10.3087 10.7797 10.7797 10.8150 10.8150 11.0240 11.0240 11.8928 11.8928 k = 0.3333 0.5774 0.2531 ( 3144 PWs) bands (ev): 0.4016 0.4016 0.4078 0.4078 0.9540 0.9540 5.6171 5.6171 5.6339 5.6339 5.8154 5.8154 6.8802 6.8802 6.8898 6.8898 7.7700 7.7700 7.7784 7.7784 7.9926 7.9926 8.0685 8.0685 8.9269 8.9269 8.9684 8.9684 9.3016 9.3016 9.3540 9.3540 9.6518 9.6518 10.3103 10.3103 10.6849 10.6849 10.7226 10.7226 10.9756 10.9756 11.9384 11.9384 k = 0.3333 0.5774 0.2689 ( 3138 PWs) bands (ev): 0.4334 0.4334 0.4396 0.4396 0.9796 0.9796 5.5462 5.5462 5.5623 5.5623 5.7606 5.7606 6.8908 6.8908 6.9005 6.9005 7.7782 7.7782 7.7866 7.7866 7.9969 7.9969 8.1071 8.1071 8.9152 8.9152 8.9543 8.9543 9.3070 9.3070 9.3620 9.3620 9.6393 9.6393 10.3117 10.3117 10.5947 10.5947 10.6350 10.6350 10.9265 10.9265 11.9870 11.9870 k = 0.3333 0.5774 0.2847 ( 3144 PWs) bands (ev): 0.4664 0.4664 0.4726 0.4726 1.0062 1.0062 5.4743 5.4743 5.4899 5.4899 5.7040 5.7040 6.9011 6.9011 6.9108 6.9108 7.7858 7.7858 7.7942 7.7942 8.0013 8.0013 8.1489 8.1489 8.9026 8.9026 8.9395 8.9395 9.3128 9.3128 9.3699 9.3699 9.6267 9.6267 10.3126 10.3126 10.5092 10.5092 10.5525 10.5525 10.8769 10.8769 12.0382 12.0382 k = 0.3333 0.5774 0.3005 ( 3150 PWs) bands (ev): 0.5005 0.5005 0.5066 0.5066 1.0335 1.0335 5.4018 5.4018 5.4170 5.4170 5.6460 5.6460 6.9111 6.9111 6.9210 6.9210 7.7927 7.7927 7.8012 7.8012 8.0057 8.0057 8.1937 8.1937 8.8895 8.8895 8.9244 8.9244 9.3188 9.3188 9.3779 9.3779 9.6139 9.6139 10.3123 10.3123 10.4285 10.4285 10.4760 10.4760 10.8268 10.8268 12.0739 12.0740 k = 0.3333 0.5774 0.3164 ( 3138 PWs) bands (ev): 0.5356 0.5356 0.5416 0.5416 1.0616 1.0616 5.3290 5.3290 5.3438 5.3438 5.5869 5.5869 6.9210 6.9210 6.9311 6.9311 7.7991 7.7991 7.8076 7.8076 8.0105 8.0105 8.2415 8.2415 8.8760 8.8760 8.9090 8.9090 9.3250 9.3250 9.3858 9.3858 9.6011 9.6011 10.3084 10.3084 10.3527 10.3527 10.4078 10.4078 10.7764 10.7764 12.0369 12.0369 k = 0.3333 0.5774 0.3322 ( 3135 PWs) bands (ev): 0.5714 0.5714 0.5774 0.5774 1.0902 1.0902 5.2563 5.2563 5.2707 5.2707 5.5272 5.5272 6.9307 6.9307 6.9409 6.9409 7.8047 7.8047 7.8133 7.8133 8.0151 8.0151 8.2923 8.2923 8.8623 8.8623 8.8936 8.8936 9.3313 9.3313 9.3936 9.3936 9.5883 9.5883 10.2815 10.2815 10.2899 10.2899 10.3587 10.3587 10.7257 10.7257 11.9989 11.9989 k = 0.3333 0.5774 0.3480 ( 3129 PWs) bands (ev): 0.6077 0.6077 0.6137 0.6137 1.1191 1.1191 5.1840 5.1840 5.1981 5.1981 5.4674 5.4674 6.9401 6.9401 6.9505 6.9505 7.8095 7.8095 7.8182 7.8182 8.0197 8.0197 8.3458 8.3458 8.8486 8.8486 8.8783 8.8783 9.3376 9.3376 9.4011 9.4011 9.5757 9.5757 10.2151 10.2151 10.2445 10.2445 10.3412 10.3412 10.6745 10.6745 11.9603 11.9603 k = 0.3333 0.5774 0.3638 ( 3129 PWs) bands (ev): 0.6444 0.6444 0.6504 0.6504 1.1483 1.1483 5.1125 5.1125 5.1262 5.1262 5.4077 5.4077 6.9492 6.9492 6.9598 6.9598 7.8135 7.8135 7.8223 7.8223 8.0243 8.0243 8.4020 8.4020 8.8351 8.8351 8.8631 8.8631 9.3437 9.3437 9.4084 9.4084 9.5634 9.5634 10.1534 10.1534 10.1898 10.1898 10.3375 10.3375 10.6228 10.6228 11.9211 11.9211 k = 0.3333 0.5774 0.3796 ( 3129 PWs) bands (ev): 0.6812 0.6812 0.6872 0.6872 1.1774 1.1774 5.0421 5.0421 5.0555 5.0555 5.3486 5.3486 6.9581 6.9581 6.9688 6.9688 7.8168 7.8168 7.8257 7.8257 8.0288 8.0288 8.4606 8.4606 8.8219 8.8219 8.8484 8.8484 9.3497 9.3497 9.4153 9.4153 9.5512 9.5512 10.0961 10.0961 10.1359 10.1359 10.3373 10.3373 10.5704 10.5704 11.8817 11.8817 k = 0.3333 0.5774 0.3954 ( 3129 PWs) bands (ev): 0.7179 0.7179 0.7239 0.7239 1.2064 1.2064 4.9733 4.9733 4.9865 4.9865 5.2907 5.2907 6.9667 6.9667 6.9776 6.9776 7.8192 7.8192 7.8283 7.8283 8.0332 8.0332 8.5212 8.5212 8.8095 8.8095 8.8342 8.8342 9.3555 9.3555 9.4220 9.4220 9.5395 9.5395 10.0433 10.0433 10.0852 10.0852 10.3381 10.3381 10.5172 10.5172 11.8423 11.8423 k = 0.3333 0.5774 0.4113 ( 3129 PWs) bands (ev): 0.7542 0.7542 0.7601 0.7601 1.2350 1.2350 4.9065 4.9065 4.9193 4.9193 5.2342 5.2342 6.9750 6.9750 6.9861 6.9861 7.8208 7.8208 7.8300 7.8300 8.0375 8.0375 8.5836 8.5836 8.7982 8.7982 8.8208 8.8208 9.3610 9.3610 9.4282 9.4282 9.5283 9.5283 9.9947 9.9947 10.0382 10.0382 10.3394 10.3394 10.4631 10.4631 11.8033 11.8033 k = 0.3333 0.5774 0.4271 ( 3120 PWs) bands (ev): 0.7898 0.7898 0.7957 0.7957 1.2629 1.2629 4.8420 4.8420 4.8547 4.8547 5.1796 5.1796 6.9830 6.9830 6.9944 6.9944 7.8219 7.8219 7.8312 7.8312 8.0417 8.0417 8.6467 8.6467 8.7890 8.7890 8.8082 8.8082 9.3663 9.3663 9.4341 9.4341 9.5176 9.5176 9.9504 9.9504 9.9950 9.9950 10.3407 10.3407 10.4080 10.4080 11.7650 11.7650 k = 0.3333 0.5774 0.4429 ( 3111 PWs) bands (ev): 0.8243 0.8243 0.8302 0.8302 1.2899 1.2899 4.7803 4.7803 4.7928 4.7928 5.1274 5.1274 6.9906 6.9906 7.0022 7.0022 7.8222 7.8222 7.8318 7.8318 8.0456 8.0456 8.7064 8.7064 8.7858 8.7858 8.7965 8.7965 9.3712 9.3712 9.4395 9.4395 9.5076 9.5076 9.9101 9.9101 9.9556 9.9556 10.3396 10.3396 10.3543 10.3543 11.7279 11.7279 k = 0.3333 0.5774 0.4587 ( 3102 PWs) bands (ev): 0.8576 0.8576 0.8635 0.8635 1.3158 1.3158 4.7220 4.7220 4.7343 4.7343 5.0780 5.0780 6.9978 6.9978 7.0096 7.0096 7.8220 7.8220 7.8317 7.8317 8.0495 8.0495 8.7417 8.7417 8.7858 8.7858 8.8095 8.8095 9.3757 9.3757 9.4446 9.4446 9.4982 9.4982 9.8737 9.8737 9.9200 9.9200 10.2925 10.2925 10.3453 10.3453 11.6923 11.6923 k = 0.3333 0.5774 0.4745 ( 3102 PWs) bands (ev): 0.8892 0.8892 0.8950 0.8950 1.3403 1.3403 4.6673 4.6673 4.6794 4.6794 5.0317 5.0317 7.0045 7.0045 7.0165 7.0165 7.8212 7.8212 7.8311 7.8311 8.0530 8.0530 8.7441 8.7441 8.7762 8.7762 8.8682 8.8682 9.3798 9.3798 9.4491 9.4491 9.4895 9.4895 9.8411 9.8411 9.8879 9.8879 10.2337 10.2337 10.3465 10.3465 11.6586 11.6586 k = 0.3333 0.5774 0.4904 ( 3108 PWs) bands (ev): 0.9187 0.9187 0.9246 0.9246 1.3632 1.3632 4.6168 4.6168 4.6288 4.6288 4.9890 4.9890 7.0106 7.0106 7.0228 7.0228 7.8201 7.8201 7.8302 7.8302 8.0561 8.0561 8.7393 8.7393 8.7676 8.7676 8.9359 8.9359 9.3835 9.3835 9.4532 9.4532 9.4815 9.4815 9.8121 9.8121 9.8594 9.8594 10.1734 10.1734 10.3479 10.3479 11.6273 11.6273 k = 0.3333 0.5774 0.5062 ( 3120 PWs) bands (ev): 0.9458 0.9458 0.9517 0.9517 1.3841 1.3841 4.5709 4.5709 4.5829 4.5829 4.9503 4.9503 7.0162 7.0162 7.0286 7.0286 7.8187 7.8187 7.8290 7.8290 8.0590 8.0590 8.7336 8.7336 8.7599 8.7599 9.0059 9.0059 9.3867 9.3867 9.4568 9.4568 9.4744 9.4744 9.7867 9.7867 9.8343 9.8343 10.1119 10.1119 10.3492 10.3492 11.5986 11.5986 k = 0.3333 0.5774 0.5220 ( 3120 PWs) bands (ev): 0.9702 0.9702 0.9761 0.9761 1.4028 1.4028 4.5301 4.5301 4.5420 4.5420 4.9159 4.9159 7.0211 7.0211 7.0338 7.0338 7.8172 7.8172 7.8276 7.8276 8.0616 8.0616 8.7284 8.7284 8.7535 8.7535 9.0764 9.0764 9.3894 9.3894 9.4599 9.4599 9.4681 9.4681 9.7649 9.7649 9.8128 9.8128 10.0497 10.0497 10.3504 10.3504 11.5731 11.5731 k = 0.3333 0.5774 0.5378 ( 3120 PWs) bands (ev): 0.9915 0.9915 0.9974 0.9974 1.4192 1.4192 4.4948 4.4948 4.5066 4.5066 4.8862 4.8862 7.0255 7.0255 7.0383 7.0383 7.8157 7.8157 7.8263 7.8263 8.0639 8.0639 8.7238 8.7238 8.7481 8.7481 9.1464 9.1464 9.3917 9.3917 9.4625 9.4625 9.4628 9.4628 9.7466 9.7466 9.7946 9.7946 9.9873 9.9873 10.3515 10.3515 11.5510 11.5510 k = 0.3333 0.5774 0.5536 ( 3114 PWs) bands (ev): 1.0095 1.0095 1.0154 1.0154 1.4329 1.4329 4.4653 4.4653 4.4770 4.4770 4.8615 4.8615 7.0291 7.0291 7.0420 7.0420 7.8143 7.8143 7.8250 7.8250 8.0658 8.0658 8.7201 8.7201 8.7438 8.7438 9.2145 9.2145 9.3936 9.3936 9.4582 9.4582 9.4647 9.4647 9.7318 9.7318 9.7799 9.7799 9.9259 9.9259 10.3524 10.3524 11.5326 11.5326 k = 0.3333 0.5774 0.5694 ( 3114 PWs) bands (ev): 1.0238 1.0238 1.0296 1.0296 1.4437 1.4437 4.4420 4.4420 4.4537 4.4537 4.8420 4.8420 7.0319 7.0319 7.0450 7.0450 7.8130 7.8130 7.8239 7.8239 8.0672 8.0672 8.7172 8.7172 8.7405 8.7405 9.2785 9.2785 9.3950 9.3950 9.4544 9.4544 9.4664 9.4664 9.7202 9.7202 9.7685 9.7685 9.8674 9.8674 10.3532 10.3532 11.5181 11.5181 k = 0.3333 0.5774 0.5853 ( 3090 PWs) bands (ev): 1.0341 1.0341 1.0400 1.0400 1.4516 1.4516 4.4252 4.4252 4.4368 4.4368 4.8279 4.8279 7.0340 7.0340 7.0471 7.0471 7.8121 7.8121 7.8231 7.8231 8.0683 8.0683 8.7153 8.7153 8.7383 8.7383 9.3349 9.3349 9.3961 9.3961 9.4514 9.4514 9.4677 9.4677 9.7122 9.7122 9.7607 9.7607 9.8157 9.8157 10.3538 10.3538 11.5076 11.5076 k = 0.3333 0.5774 0.6011 ( 3090 PWs) bands (ev): 1.0404 1.0404 1.0463 1.0463 1.4564 1.4564 4.4150 4.4150 4.4266 4.4266 4.8194 4.8194 7.0352 7.0352 7.0484 7.0484 7.8115 7.8115 7.8226 7.8226 8.0690 8.0690 8.7141 8.7141 8.7369 8.7369 9.3768 9.3768 9.3970 9.3970 9.4481 9.4481 9.4684 9.4684 9.7073 9.7073 9.7562 9.7562 9.7772 9.7772 10.3541 10.3541 11.5012 11.5012 k = 0.3333 0.5774 0.6169 ( 3090 PWs) bands (ev): 1.0425 1.0425 1.0484 1.0484 1.4580 1.4580 4.4116 4.4116 4.4232 4.4232 4.8165 4.8165 7.0356 7.0356 7.0489 7.0489 7.8113 7.8113 7.8224 7.8224 8.0692 8.0692 8.7137 8.7137 8.7364 8.7364 9.3924 9.3924 9.3985 9.3985 9.4461 9.4461 9.4686 9.4686 9.7056 9.7056 9.7558 9.7558 9.7614 9.7614 10.3542 10.3542 11.4991 11.4991 Writing output data file FeGe.save init_run : 0.15s CPU 0.32s WALL ( 1 calls) electrons : 107.24s CPU 109.39s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.02s WALL ( 1 calls) potinit : 0.01s CPU 0.06s WALL ( 1 calls) Called by electrons: c_bands : 107.23s CPU 109.38s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.04s CPU 0.05s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.03s CPU 0.04s WALL ( 326 calls) cegterg : 95.61s CPU 97.12s WALL ( 397 calls) Called by sum_band: Called by *egterg: h_psi : 52.96s CPU 54.16s WALL ( 6300 calls) s_psi : 4.36s CPU 4.47s WALL ( 6300 calls) g_psi : 0.17s CPU 0.15s WALL ( 5577 calls) cdiaghg : 38.06s CPU 38.46s WALL ( 5903 calls) cegterg:over : 3.62s CPU 3.63s WALL ( 5577 calls) cegterg:upda : 2.85s CPU 2.86s WALL ( 5577 calls) cegterg:last : 1.57s CPU 1.57s WALL ( 1131 calls) cdiaghg:chol : 1.96s CPU 2.12s WALL ( 5903 calls) cdiaghg:inve : 1.27s CPU 1.27s WALL ( 5903 calls) cdiaghg:para : 2.21s CPU 2.28s WALL ( 11806 calls) Called by h_psi: h_psi:vloc : 43.91s CPU 45.04s WALL ( 6300 calls) h_psi:vnl : 8.92s CPU 8.98s WALL ( 6300 calls) add_vuspsi : 4.46s CPU 4.58s WALL ( 6300 calls) General routines calbec : 4.45s CPU 4.38s WALL ( 6300 calls) fft : 0.00s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 41.23s CPU 42.13s WALL ( 687344 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.13s CPU 0.14s WALL ( 652 calls) Parallel routines fft_scatter : 17.27s CPU 17.35s WALL ( 687367 calls) PWSCF : 1m58.84s CPU 2m23.88s WALL This run was terminated on: 18:11: 8 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=