Program PWSCF v.5.3.0 (svn rev. 11974) starts on 3Jan2017 at 14: 2:12 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: ./BaPt5.save/ file Ba.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 6S renormalized file Pt.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 6S 5D 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 90 34 10 3246 746 120 Max 91 35 11 3250 765 123 Sum 3241 1237 361 116887 27213 4387 bravais-lattice index = 14 lattice parameter (alat) = 10.4029 a.u. unit-cell volume = 768.1238 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 2 number of electrons = 60.00 number of Kohn-Sham states= 72 kinetic-energy cutoff = 41.0000 Ry charge density cutoff = 433.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 10.402942 celldm(2)= 1.000000 celldm(3)= 0.787829 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 0.787829 ) 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 1.269311 ) PseudoPot. # 1 for Ba read from file: /users/gautes/Pseudo/Ba.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 3006f3397849ee49953ff32be8e81b23 Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1251 points, 11 beta functions with: l(1) = 0 l(2) = 0 l(3) = 0 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 1 l(8) = 2 l(9) = 2 l(10) = 2 l(11) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Pt read from file: /users/gautes/Pseudo/Pt.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 5a767c0d250ba2b616d7addddc548ecc Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1277 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 Ba 10.00 137.32700 Ba( 1.00) Pt 10.00 195.08400 Pt( 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= 304 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032895 k( 2) = ( 0.0151515 0.0087477 -0.0000000), wk = 0.0032895 k( 3) = ( 0.0303030 0.0174955 -0.0000000), wk = 0.0032895 k( 4) = ( 0.0454546 0.0262432 -0.0000000), wk = 0.0032895 k( 5) = ( 0.0606061 0.0349909 -0.0000000), wk = 0.0032895 k( 6) = ( 0.0757576 0.0437387 -0.0000000), wk = 0.0032895 k( 7) = ( 0.0909091 0.0524864 -0.0000000), wk = 0.0032895 k( 8) = ( 0.1060606 0.0612341 -0.0000000), wk = 0.0032895 k( 9) = ( 0.1212121 0.0699819 -0.0000000), wk = 0.0032895 k( 10) = ( 0.1363636 0.0787296 -0.0000000), wk = 0.0032895 k( 11) = ( 0.1515151 0.0874773 -0.0000000), wk = 0.0032895 k( 12) = ( 0.1666667 0.0962250 -0.0000000), wk = 0.0032895 k( 13) = ( 0.1818182 0.1049728 -0.0000000), wk = 0.0032895 k( 14) = ( 0.1969697 0.1137205 -0.0000000), wk = 0.0032895 k( 15) = ( 0.2121212 0.1224682 -0.0000000), wk = 0.0032895 k( 16) = ( 0.2272727 0.1312160 -0.0000000), wk = 0.0032895 k( 17) = ( 0.2424242 0.1399637 -0.0000000), wk = 0.0032895 k( 18) = ( 0.2575758 0.1487114 -0.0000000), wk = 0.0032895 k( 19) = ( 0.2727273 0.1574592 -0.0000000), wk = 0.0032895 k( 20) = ( 0.2878788 0.1662069 -0.0000000), wk = 0.0032895 k( 21) = ( 0.3030303 0.1749546 -0.0000000), wk = 0.0032895 k( 22) = ( 0.3181818 0.1837024 -0.0000000), wk = 0.0032895 k( 23) = ( 0.3333333 0.1924501 -0.0000000), wk = 0.0032895 k( 24) = ( 0.3484849 0.2011978 -0.0000000), wk = 0.0032895 k( 25) = ( 0.3636364 0.2099456 -0.0000000), wk = 0.0032895 k( 26) = ( 0.3787879 0.2186933 -0.0000000), wk = 0.0032895 k( 27) = ( 0.3939394 0.2274410 -0.0000000), wk = 0.0032895 k( 28) = ( 0.4090909 0.2361887 -0.0000000), wk = 0.0032895 k( 29) = ( 0.4242424 0.2449365 -0.0000000), wk = 0.0032895 k( 30) = ( 0.4393939 0.2536842 -0.0000000), wk = 0.0032895 k( 31) = ( 0.4545455 0.2624319 -0.0000000), wk = 0.0032895 k( 32) = ( 0.4696970 0.2711797 -0.0000000), wk = 0.0032895 k( 33) = ( 0.4848485 0.2799274 -0.0000000), wk = 0.0032895 k( 34) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0032895 k( 35) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0032895 k( 36) = ( 0.4916667 0.3031089 -0.0000000), wk = 0.0032895 k( 37) = ( 0.4833333 0.3175426 -0.0000000), wk = 0.0032895 k( 38) = ( 0.4750000 0.3319764 -0.0000000), wk = 0.0032895 k( 39) = ( 0.4666667 0.3464102 -0.0000000), wk = 0.0032895 k( 40) = ( 0.4583333 0.3608439 -0.0000000), wk = 0.0032895 k( 41) = ( 0.4500000 0.3752777 -0.0000000), wk = 0.0032895 k( 42) = ( 0.4416667 0.3897114 -0.0000000), wk = 0.0032895 k( 43) = ( 0.4333333 0.4041452 -0.0000000), wk = 0.0032895 k( 44) = ( 0.4250000 0.4185789 -0.0000000), wk = 0.0032895 k( 45) = ( 0.4166667 0.4330127 -0.0000000), wk = 0.0032895 k( 46) = ( 0.4083333 0.4474465 -0.0000000), wk = 0.0032895 k( 47) = ( 0.4000000 0.4618802 -0.0000000), wk = 0.0032895 k( 48) = ( 0.3916667 0.4763140 -0.0000000), wk = 0.0032895 k( 49) = ( 0.3833333 0.4907477 -0.0000000), wk = 0.0032895 k( 50) = ( 0.3750000 0.5051815 -0.0000000), wk = 0.0032895 k( 51) = ( 0.3666667 0.5196152 -0.0000000), wk = 0.0032895 k( 52) = ( 0.3583333 0.5340490 -0.0000000), wk = 0.0032895 k( 53) = ( 0.3500000 0.5484828 -0.0000000), wk = 0.0032895 k( 54) = ( 0.3416667 0.5629165 -0.0000000), wk = 0.0032895 k( 55) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0032895 k( 56) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0032895 k( 57) = ( 0.3247863 0.5625464 -0.0000000), wk = 0.0032895 k( 58) = ( 0.3162393 0.5477426 -0.0000000), wk = 0.0032895 k( 59) = ( 0.3076923 0.5329387 -0.0000000), wk = 0.0032895 k( 60) = ( 0.2991453 0.5181349 -0.0000000), wk = 0.0032895 k( 61) = ( 0.2905983 0.5033310 -0.0000000), wk = 0.0032895 k( 62) = ( 0.2820513 0.4885271 -0.0000000), wk = 0.0032895 k( 63) = ( 0.2735043 0.4737233 -0.0000000), wk = 0.0032895 k( 64) = ( 0.2649573 0.4589194 -0.0000000), wk = 0.0032895 k( 65) = ( 0.2564103 0.4441156 -0.0000000), wk = 0.0032895 k( 66) = ( 0.2478633 0.4293117 -0.0000000), wk = 0.0032895 k( 67) = ( 0.2393162 0.4145079 -0.0000000), wk = 0.0032895 k( 68) = ( 0.2307692 0.3997040 -0.0000000), wk = 0.0032895 k( 69) = ( 0.2222222 0.3849002 -0.0000000), wk = 0.0032895 k( 70) = ( 0.2136752 0.3700963 -0.0000000), wk = 0.0032895 k( 71) = ( 0.2051282 0.3552925 -0.0000000), wk = 0.0032895 k( 72) = ( 0.1965812 0.3404886 -0.0000000), wk = 0.0032895 k( 73) = ( 0.1880342 0.3256848 -0.0000000), wk = 0.0032895 k( 74) = ( 0.1794872 0.3108809 -0.0000000), wk = 0.0032895 k( 75) = ( 0.1709402 0.2960771 -0.0000000), wk = 0.0032895 k( 76) = ( 0.1623932 0.2812732 -0.0000000), wk = 0.0032895 k( 77) = ( 0.1538461 0.2664693 -0.0000000), wk = 0.0032895 k( 78) = ( 0.1452991 0.2516655 -0.0000000), wk = 0.0032895 k( 79) = ( 0.1367521 0.2368617 -0.0000000), wk = 0.0032895 k( 80) = ( 0.1282051 0.2220578 -0.0000000), wk = 0.0032895 k( 81) = ( 0.1196581 0.2072539 -0.0000000), wk = 0.0032895 k( 82) = ( 0.1111111 0.1924501 -0.0000000), wk = 0.0032895 k( 83) = ( 0.1025641 0.1776462 -0.0000000), wk = 0.0032895 k( 84) = ( 0.0940171 0.1628424 -0.0000000), wk = 0.0032895 k( 85) = ( 0.0854701 0.1480385 -0.0000000), wk = 0.0032895 k( 86) = ( 0.0769231 0.1332347 -0.0000000), wk = 0.0032895 k( 87) = ( 0.0683761 0.1184308 -0.0000000), wk = 0.0032895 k( 88) = ( 0.0598291 0.1036270 -0.0000000), wk = 0.0032895 k( 89) = ( 0.0512821 0.0888231 -0.0000000), wk = 0.0032895 k( 90) = ( 0.0427350 0.0740193 -0.0000000), wk = 0.0032895 k( 91) = ( 0.0341880 0.0592154 -0.0000000), wk = 0.0032895 k( 92) = ( 0.0256410 0.0444116 -0.0000000), wk = 0.0032895 k( 93) = ( 0.0170940 0.0296077 -0.0000000), wk = 0.0032895 k( 94) = ( 0.0085470 0.0148039 -0.0000000), wk = 0.0032895 k( 95) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032895 k( 96) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032895 k( 97) = ( 0.0000000 0.0000000 0.0171528), wk = 0.0032895 k( 98) = ( 0.0000000 0.0000000 0.0343057), wk = 0.0032895 k( 99) = ( 0.0000000 0.0000000 0.0514585), wk = 0.0032895 k( 100) = ( 0.0000000 0.0000000 0.0686114), wk = 0.0032895 k( 101) = ( 0.0000000 0.0000000 0.0857642), wk = 0.0032895 k( 102) = ( 0.0000000 0.0000000 0.1029171), wk = 0.0032895 k( 103) = ( 0.0000000 0.0000000 0.1200699), wk = 0.0032895 k( 104) = ( 0.0000000 0.0000000 0.1372228), wk = 0.0032895 k( 105) = ( 0.0000000 0.0000000 0.1543756), wk = 0.0032895 k( 106) = ( 0.0000000 0.0000000 0.1715285), wk = 0.0032895 k( 107) = ( 0.0000000 0.0000000 0.1886813), wk = 0.0032895 k( 108) = ( 0.0000000 0.0000000 0.2058341), wk = 0.0032895 k( 109) = ( 0.0000000 0.0000000 0.2229870), wk = 0.0032895 k( 110) = ( 0.0000000 0.0000000 0.2401398), wk = 0.0032895 k( 111) = ( 0.0000000 0.0000000 0.2572927), wk = 0.0032895 k( 112) = ( 0.0000000 0.0000000 0.2744455), wk = 0.0032895 k( 113) = ( 0.0000000 0.0000000 0.2915984), wk = 0.0032895 k( 114) = ( 0.0000000 0.0000000 0.3087512), wk = 0.0032895 k( 115) = ( 0.0000000 0.0000000 0.3259041), wk = 0.0032895 k( 116) = ( 0.0000000 0.0000000 0.3430569), wk = 0.0032895 k( 117) = ( 0.0000000 0.0000000 0.3602098), wk = 0.0032895 k( 118) = ( 0.0000000 0.0000000 0.3773626), wk = 0.0032895 k( 119) = ( 0.0000000 0.0000000 0.3945155), wk = 0.0032895 k( 120) = ( 0.0000000 0.0000000 0.4116683), wk = 0.0032895 k( 121) = ( 0.0000000 0.0000000 0.4288211), wk = 0.0032895 k( 122) = ( 0.0000000 0.0000000 0.4459740), wk = 0.0032895 k( 123) = ( 0.0000000 0.0000000 0.4631268), wk = 0.0032895 k( 124) = ( 0.0000000 0.0000000 0.4802797), wk = 0.0032895 k( 125) = ( 0.0000000 0.0000000 0.4974325), wk = 0.0032895 k( 126) = ( 0.0000000 0.0000000 0.5145854), wk = 0.0032895 k( 127) = ( 0.0000000 0.0000000 0.5317382), wk = 0.0032895 k( 128) = ( 0.0000000 0.0000000 0.5488911), wk = 0.0032895 k( 129) = ( 0.0000000 0.0000000 0.5660439), wk = 0.0032895 k( 130) = ( 0.0000000 0.0000000 0.5831968), wk = 0.0032895 k( 131) = ( 0.0000000 0.0000000 0.6003496), wk = 0.0032895 k( 132) = ( 0.0000000 0.0000000 0.6175025), wk = 0.0032895 k( 133) = ( 0.0000000 0.0000000 0.6346553), wk = 0.0032895 k( 134) = ( 0.0000000 0.0000000 0.6346553), wk = 0.0032895 k( 135) = ( 0.0151515 0.0087477 0.6346553), wk = 0.0032895 k( 136) = ( 0.0303030 0.0174955 0.6346553), wk = 0.0032895 k( 137) = ( 0.0454546 0.0262432 0.6346553), wk = 0.0032895 k( 138) = ( 0.0606061 0.0349909 0.6346553), wk = 0.0032895 k( 139) = ( 0.0757576 0.0437387 0.6346553), wk = 0.0032895 k( 140) = ( 0.0909091 0.0524864 0.6346553), wk = 0.0032895 k( 141) = ( 0.1060606 0.0612341 0.6346553), wk = 0.0032895 k( 142) = ( 0.1212121 0.0699819 0.6346553), wk = 0.0032895 k( 143) = ( 0.1363636 0.0787296 0.6346553), wk = 0.0032895 k( 144) = ( 0.1515151 0.0874773 0.6346553), wk = 0.0032895 k( 145) = ( 0.1666667 0.0962250 0.6346553), wk = 0.0032895 k( 146) = ( 0.1818182 0.1049728 0.6346553), wk = 0.0032895 k( 147) = ( 0.1969697 0.1137205 0.6346553), wk = 0.0032895 k( 148) = ( 0.2121212 0.1224682 0.6346553), wk = 0.0032895 k( 149) = ( 0.2272727 0.1312160 0.6346553), wk = 0.0032895 k( 150) = ( 0.2424242 0.1399637 0.6346553), wk = 0.0032895 k( 151) = ( 0.2575758 0.1487114 0.6346553), wk = 0.0032895 k( 152) = ( 0.2727273 0.1574592 0.6346553), wk = 0.0032895 k( 153) = ( 0.2878788 0.1662069 0.6346553), wk = 0.0032895 k( 154) = ( 0.3030303 0.1749546 0.6346553), wk = 0.0032895 k( 155) = ( 0.3181818 0.1837024 0.6346553), wk = 0.0032895 k( 156) = ( 0.3333333 0.1924501 0.6346553), wk = 0.0032895 k( 157) = ( 0.3484849 0.2011978 0.6346553), wk = 0.0032895 k( 158) = ( 0.3636364 0.2099456 0.6346553), wk = 0.0032895 k( 159) = ( 0.3787879 0.2186933 0.6346553), wk = 0.0032895 k( 160) = ( 0.3939394 0.2274410 0.6346553), wk = 0.0032895 k( 161) = ( 0.4090909 0.2361887 0.6346553), wk = 0.0032895 k( 162) = ( 0.4242424 0.2449365 0.6346553), wk = 0.0032895 k( 163) = ( 0.4393939 0.2536842 0.6346553), wk = 0.0032895 k( 164) = ( 0.4545455 0.2624319 0.6346553), wk = 0.0032895 k( 165) = ( 0.4696970 0.2711797 0.6346553), wk = 0.0032895 k( 166) = ( 0.4848485 0.2799274 0.6346553), wk = 0.0032895 k( 167) = ( 0.5000000 0.2886751 0.6346553), wk = 0.0032895 k( 168) = ( 0.5000000 0.2886751 0.6346553), wk = 0.0032895 k( 169) = ( 0.4916667 0.3031089 0.6346553), wk = 0.0032895 k( 170) = ( 0.4833333 0.3175426 0.6346553), wk = 0.0032895 k( 171) = ( 0.4750000 0.3319764 0.6346553), wk = 0.0032895 k( 172) = ( 0.4666667 0.3464102 0.6346553), wk = 0.0032895 k( 173) = ( 0.4583333 0.3608439 0.6346553), wk = 0.0032895 k( 174) = ( 0.4500000 0.3752777 0.6346553), wk = 0.0032895 k( 175) = ( 0.4416667 0.3897114 0.6346553), wk = 0.0032895 k( 176) = ( 0.4333333 0.4041452 0.6346553), wk = 0.0032895 k( 177) = ( 0.4250000 0.4185789 0.6346553), wk = 0.0032895 k( 178) = ( 0.4166667 0.4330127 0.6346553), wk = 0.0032895 k( 179) = ( 0.4083333 0.4474465 0.6346553), wk = 0.0032895 k( 180) = ( 0.4000000 0.4618802 0.6346553), wk = 0.0032895 k( 181) = ( 0.3916667 0.4763140 0.6346553), wk = 0.0032895 k( 182) = ( 0.3833333 0.4907477 0.6346553), wk = 0.0032895 k( 183) = ( 0.3750000 0.5051815 0.6346553), wk = 0.0032895 k( 184) = ( 0.3666667 0.5196152 0.6346553), wk = 0.0032895 k( 185) = ( 0.3583333 0.5340490 0.6346553), wk = 0.0032895 k( 186) = ( 0.3500000 0.5484828 0.6346553), wk = 0.0032895 k( 187) = ( 0.3416667 0.5629165 0.6346553), wk = 0.0032895 k( 188) = ( 0.3333333 0.5773503 0.6346553), wk = 0.0032895 k( 189) = ( 0.3333333 0.5773503 0.6346553), wk = 0.0032895 k( 190) = ( 0.3247863 0.5625464 0.6346553), wk = 0.0032895 k( 191) = ( 0.3162393 0.5477426 0.6346553), wk = 0.0032895 k( 192) = ( 0.3076923 0.5329387 0.6346553), wk = 0.0032895 k( 193) = ( 0.2991453 0.5181349 0.6346553), wk = 0.0032895 k( 194) = ( 0.2905983 0.5033310 0.6346553), wk = 0.0032895 k( 195) = ( 0.2820513 0.4885271 0.6346553), wk = 0.0032895 k( 196) = ( 0.2735043 0.4737233 0.6346553), wk = 0.0032895 k( 197) = ( 0.2649573 0.4589194 0.6346553), wk = 0.0032895 k( 198) = ( 0.2564103 0.4441156 0.6346553), wk = 0.0032895 k( 199) = ( 0.2478633 0.4293117 0.6346553), wk = 0.0032895 k( 200) = ( 0.2393162 0.4145079 0.6346553), wk = 0.0032895 k( 201) = ( 0.2307692 0.3997040 0.6346553), wk = 0.0032895 k( 202) = ( 0.2222222 0.3849002 0.6346553), wk = 0.0032895 k( 203) = ( 0.2136752 0.3700963 0.6346553), wk = 0.0032895 k( 204) = ( 0.2051282 0.3552925 0.6346553), wk = 0.0032895 k( 205) = ( 0.1965812 0.3404886 0.6346553), wk = 0.0032895 k( 206) = ( 0.1880342 0.3256848 0.6346553), wk = 0.0032895 k( 207) = ( 0.1794872 0.3108809 0.6346553), wk = 0.0032895 k( 208) = ( 0.1709402 0.2960771 0.6346553), wk = 0.0032895 k( 209) = ( 0.1623932 0.2812732 0.6346553), wk = 0.0032895 k( 210) = ( 0.1538461 0.2664693 0.6346553), wk = 0.0032895 k( 211) = ( 0.1452991 0.2516655 0.6346553), wk = 0.0032895 k( 212) = ( 0.1367521 0.2368617 0.6346553), wk = 0.0032895 k( 213) = ( 0.1282051 0.2220578 0.6346553), wk = 0.0032895 k( 214) = ( 0.1196581 0.2072539 0.6346553), wk = 0.0032895 k( 215) = ( 0.1111111 0.1924501 0.6346553), wk = 0.0032895 k( 216) = ( 0.1025641 0.1776462 0.6346553), wk = 0.0032895 k( 217) = ( 0.0940171 0.1628424 0.6346553), wk = 0.0032895 k( 218) = ( 0.0854701 0.1480385 0.6346553), wk = 0.0032895 k( 219) = ( 0.0769231 0.1332347 0.6346553), wk = 0.0032895 k( 220) = ( 0.0683761 0.1184308 0.6346553), wk = 0.0032895 k( 221) = ( 0.0598291 0.1036270 0.6346553), wk = 0.0032895 k( 222) = ( 0.0512821 0.0888231 0.6346553), wk = 0.0032895 k( 223) = ( 0.0427350 0.0740193 0.6346553), wk = 0.0032895 k( 224) = ( 0.0341880 0.0592154 0.6346553), wk = 0.0032895 k( 225) = ( 0.0256410 0.0444116 0.6346553), wk = 0.0032895 k( 226) = ( 0.0170940 0.0296077 0.6346553), wk = 0.0032895 k( 227) = ( 0.0085470 0.0148039 0.6346553), wk = 0.0032895 k( 228) = ( 0.0000000 0.0000000 0.6346553), wk = 0.0032895 k( 229) = ( 0.5000000 0.2886751 0.6346553), wk = 0.0032895 k( 230) = ( 0.5000000 0.2886751 0.6175025), wk = 0.0032895 k( 231) = ( 0.5000000 0.2886751 0.6003496), wk = 0.0032895 k( 232) = ( 0.5000000 0.2886751 0.5831968), wk = 0.0032895 k( 233) = ( 0.5000000 0.2886751 0.5660439), wk = 0.0032895 k( 234) = ( 0.5000000 0.2886751 0.5488911), wk = 0.0032895 k( 235) = ( 0.5000000 0.2886751 0.5317382), wk = 0.0032895 k( 236) = ( 0.5000000 0.2886751 0.5145854), wk = 0.0032895 k( 237) = ( 0.5000000 0.2886751 0.4974325), wk = 0.0032895 k( 238) = ( 0.5000000 0.2886751 0.4802797), wk = 0.0032895 k( 239) = ( 0.5000000 0.2886751 0.4631268), wk = 0.0032895 k( 240) = ( 0.5000000 0.2886751 0.4459740), wk = 0.0032895 k( 241) = ( 0.5000000 0.2886751 0.4288211), wk = 0.0032895 k( 242) = ( 0.5000000 0.2886751 0.4116683), wk = 0.0032895 k( 243) = ( 0.5000000 0.2886751 0.3945155), wk = 0.0032895 k( 244) = ( 0.5000000 0.2886751 0.3773626), wk = 0.0032895 k( 245) = ( 0.5000000 0.2886751 0.3602098), wk = 0.0032895 k( 246) = ( 0.5000000 0.2886751 0.3430569), wk = 0.0032895 k( 247) = ( 0.5000000 0.2886751 0.3259041), wk = 0.0032895 k( 248) = ( 0.5000000 0.2886751 0.3087512), wk = 0.0032895 k( 249) = ( 0.5000000 0.2886751 0.2915984), wk = 0.0032895 k( 250) = ( 0.5000000 0.2886751 0.2744455), wk = 0.0032895 k( 251) = ( 0.5000000 0.2886751 0.2572927), wk = 0.0032895 k( 252) = ( 0.5000000 0.2886751 0.2401398), wk = 0.0032895 k( 253) = ( 0.5000000 0.2886751 0.2229870), wk = 0.0032895 k( 254) = ( 0.5000000 0.2886751 0.2058341), wk = 0.0032895 k( 255) = ( 0.5000000 0.2886751 0.1886813), wk = 0.0032895 k( 256) = ( 0.5000000 0.2886751 0.1715285), wk = 0.0032895 k( 257) = ( 0.5000000 0.2886751 0.1543756), wk = 0.0032895 k( 258) = ( 0.5000000 0.2886751 0.1372228), wk = 0.0032895 k( 259) = ( 0.5000000 0.2886751 0.1200699), wk = 0.0032895 k( 260) = ( 0.5000000 0.2886751 0.1029171), wk = 0.0032895 k( 261) = ( 0.5000000 0.2886751 0.0857642), wk = 0.0032895 k( 262) = ( 0.5000000 0.2886751 0.0686114), wk = 0.0032895 k( 263) = ( 0.5000000 0.2886751 0.0514585), wk = 0.0032895 k( 264) = ( 0.5000000 0.2886751 0.0343057), wk = 0.0032895 k( 265) = ( 0.5000000 0.2886751 0.0171528), wk = 0.0032895 k( 266) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0032895 k( 267) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0032895 k( 268) = ( 0.3333333 0.5773503 0.0171528), wk = 0.0032895 k( 269) = ( 0.3333333 0.5773503 0.0343057), wk = 0.0032895 k( 270) = ( 0.3333333 0.5773503 0.0514585), wk = 0.0032895 k( 271) = ( 0.3333333 0.5773503 0.0686114), wk = 0.0032895 k( 272) = ( 0.3333333 0.5773503 0.0857642), wk = 0.0032895 k( 273) = ( 0.3333333 0.5773503 0.1029171), wk = 0.0032895 k( 274) = ( 0.3333333 0.5773503 0.1200699), wk = 0.0032895 k( 275) = ( 0.3333333 0.5773503 0.1372228), wk = 0.0032895 k( 276) = ( 0.3333333 0.5773503 0.1543756), wk = 0.0032895 k( 277) = ( 0.3333333 0.5773503 0.1715285), wk = 0.0032895 k( 278) = ( 0.3333333 0.5773503 0.1886813), wk = 0.0032895 k( 279) = ( 0.3333333 0.5773503 0.2058341), wk = 0.0032895 k( 280) = ( 0.3333333 0.5773503 0.2229870), wk = 0.0032895 k( 281) = ( 0.3333333 0.5773503 0.2401398), wk = 0.0032895 k( 282) = ( 0.3333333 0.5773503 0.2572927), wk = 0.0032895 k( 283) = ( 0.3333333 0.5773503 0.2744455), wk = 0.0032895 k( 284) = ( 0.3333333 0.5773503 0.2915984), wk = 0.0032895 k( 285) = ( 0.3333333 0.5773503 0.3087512), wk = 0.0032895 k( 286) = ( 0.3333333 0.5773503 0.3259041), wk = 0.0032895 k( 287) = ( 0.3333333 0.5773503 0.3430569), wk = 0.0032895 k( 288) = ( 0.3333333 0.5773503 0.3602098), wk = 0.0032895 k( 289) = ( 0.3333333 0.5773503 0.3773626), wk = 0.0032895 k( 290) = ( 0.3333333 0.5773503 0.3945155), wk = 0.0032895 k( 291) = ( 0.3333333 0.5773503 0.4116683), wk = 0.0032895 k( 292) = ( 0.3333333 0.5773503 0.4288211), wk = 0.0032895 k( 293) = ( 0.3333333 0.5773503 0.4459740), wk = 0.0032895 k( 294) = ( 0.3333333 0.5773503 0.4631268), wk = 0.0032895 k( 295) = ( 0.3333333 0.5773503 0.4802797), wk = 0.0032895 k( 296) = ( 0.3333333 0.5773503 0.4974325), wk = 0.0032895 k( 297) = ( 0.3333333 0.5773503 0.5145854), wk = 0.0032895 k( 298) = ( 0.3333333 0.5773503 0.5317382), wk = 0.0032895 k( 299) = ( 0.3333333 0.5773503 0.5488911), wk = 0.0032895 k( 300) = ( 0.3333333 0.5773503 0.5660439), wk = 0.0032895 k( 301) = ( 0.3333333 0.5773503 0.5831968), wk = 0.0032895 k( 302) = ( 0.3333333 0.5773503 0.6003496), wk = 0.0032895 k( 303) = ( 0.3333333 0.5773503 0.6175025), wk = 0.0032895 k( 304) = ( 0.3333333 0.5773503 0.6346553), wk = 0.0032895 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032895 k( 2) = ( 0.0151515 0.0000000 0.0000000), wk = 0.0032895 k( 3) = ( 0.0303030 0.0000000 0.0000000), wk = 0.0032895 k( 4) = ( 0.0454546 0.0000000 0.0000000), wk = 0.0032895 k( 5) = ( 0.0606061 0.0000000 0.0000000), wk = 0.0032895 k( 6) = ( 0.0757576 0.0000000 0.0000000), wk = 0.0032895 k( 7) = ( 0.0909091 0.0000000 -0.0000000), wk = 0.0032895 k( 8) = ( 0.1060606 0.0000000 0.0000000), wk = 0.0032895 k( 9) = ( 0.1212121 0.0000000 0.0000000), wk = 0.0032895 k( 10) = ( 0.1363636 0.0000000 0.0000000), wk = 0.0032895 k( 11) = ( 0.1515151 0.0000000 0.0000000), wk = 0.0032895 k( 12) = ( 0.1666667 0.0000000 0.0000000), wk = 0.0032895 k( 13) = ( 0.1818182 0.0000000 -0.0000000), wk = 0.0032895 k( 14) = ( 0.1969697 0.0000000 0.0000000), wk = 0.0032895 k( 15) = ( 0.2121212 0.0000000 0.0000000), wk = 0.0032895 k( 16) = ( 0.2272727 0.0000000 0.0000000), wk = 0.0032895 k( 17) = ( 0.2424242 0.0000000 0.0000000), wk = 0.0032895 k( 18) = ( 0.2575758 0.0000000 0.0000000), wk = 0.0032895 k( 19) = ( 0.2727273 0.0000000 0.0000000), wk = 0.0032895 k( 20) = ( 0.2878788 -0.0000000 0.0000000), wk = 0.0032895 k( 21) = ( 0.3030303 0.0000000 0.0000000), wk = 0.0032895 k( 22) = ( 0.3181818 0.0000000 0.0000000), wk = 0.0032895 k( 23) = ( 0.3333333 0.0000000 0.0000000), wk = 0.0032895 k( 24) = ( 0.3484849 0.0000000 0.0000000), wk = 0.0032895 k( 25) = ( 0.3636364 0.0000000 -0.0000000), wk = 0.0032895 k( 26) = ( 0.3787879 0.0000000 0.0000000), wk = 0.0032895 k( 27) = ( 0.3939394 0.0000000 0.0000000), wk = 0.0032895 k( 28) = ( 0.4090909 0.0000000 0.0000000), wk = 0.0032895 k( 29) = ( 0.4242424 0.0000000 0.0000000), wk = 0.0032895 k( 30) = ( 0.4393939 0.0000000 0.0000000), wk = 0.0032895 k( 31) = ( 0.4545455 0.0000000 0.0000000), wk = 0.0032895 k( 32) = ( 0.4696970 0.0000000 0.0000000), wk = 0.0032895 k( 33) = ( 0.4848485 0.0000000 0.0000000), wk = 0.0032895 k( 34) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0032895 k( 35) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0032895 k( 36) = ( 0.4916667 0.0166667 0.0000000), wk = 0.0032895 k( 37) = ( 0.4833333 0.0333333 0.0000000), wk = 0.0032895 k( 38) = ( 0.4750000 0.0500000 -0.0000000), wk = 0.0032895 k( 39) = ( 0.4666667 0.0666667 0.0000000), wk = 0.0032895 k( 40) = ( 0.4583333 0.0833333 0.0000000), wk = 0.0032895 k( 41) = ( 0.4500000 0.1000000 0.0000000), wk = 0.0032895 k( 42) = ( 0.4416667 0.1166667 0.0000000), wk = 0.0032895 k( 43) = ( 0.4333333 0.1333333 0.0000000), wk = 0.0032895 k( 44) = ( 0.4250000 0.1500000 0.0000000), wk = 0.0032895 k( 45) = ( 0.4166667 0.1666667 -0.0000000), wk = 0.0032895 k( 46) = ( 0.4083333 0.1833333 0.0000000), wk = 0.0032895 k( 47) = ( 0.4000000 0.2000000 -0.0000000), wk = 0.0032895 k( 48) = ( 0.3916667 0.2166667 -0.0000000), wk = 0.0032895 k( 49) = ( 0.3833333 0.2333333 0.0000000), wk = 0.0032895 k( 50) = ( 0.3750000 0.2500000 0.0000000), wk = 0.0032895 k( 51) = ( 0.3666667 0.2666667 0.0000000), wk = 0.0032895 k( 52) = ( 0.3583333 0.2833333 0.0000000), wk = 0.0032895 k( 53) = ( 0.3500000 0.3000000 0.0000000), wk = 0.0032895 k( 54) = ( 0.3416667 0.3166667 0.0000000), wk = 0.0032895 k( 55) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0032895 k( 56) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0032895 k( 57) = ( 0.3247863 0.3247863 0.0000000), wk = 0.0032895 k( 58) = ( 0.3162393 0.3162393 0.0000000), wk = 0.0032895 k( 59) = ( 0.3076923 0.3076923 0.0000000), wk = 0.0032895 k( 60) = ( 0.2991453 0.2991453 0.0000000), wk = 0.0032895 k( 61) = ( 0.2905983 0.2905983 -0.0000000), wk = 0.0032895 k( 62) = ( 0.2820513 0.2820513 -0.0000000), wk = 0.0032895 k( 63) = ( 0.2735043 0.2735043 -0.0000000), wk = 0.0032895 k( 64) = ( 0.2649573 0.2649573 0.0000000), wk = 0.0032895 k( 65) = ( 0.2564103 0.2564103 0.0000000), wk = 0.0032895 k( 66) = ( 0.2478633 0.2478633 -0.0000000), wk = 0.0032895 k( 67) = ( 0.2393162 0.2393162 -0.0000000), wk = 0.0032895 k( 68) = ( 0.2307692 0.2307692 -0.0000000), wk = 0.0032895 k( 69) = ( 0.2222222 0.2222222 0.0000000), wk = 0.0032895 k( 70) = ( 0.2136752 0.2136752 0.0000000), wk = 0.0032895 k( 71) = ( 0.2051282 0.2051282 0.0000000), wk = 0.0032895 k( 72) = ( 0.1965812 0.1965812 -0.0000000), wk = 0.0032895 k( 73) = ( 0.1880342 0.1880342 0.0000000), wk = 0.0032895 k( 74) = ( 0.1794872 0.1794872 0.0000000), wk = 0.0032895 k( 75) = ( 0.1709402 0.1709402 0.0000000), wk = 0.0032895 k( 76) = ( 0.1623932 0.1623932 0.0000000), wk = 0.0032895 k( 77) = ( 0.1538461 0.1538461 -0.0000000), wk = 0.0032895 k( 78) = ( 0.1452991 0.1452991 0.0000000), wk = 0.0032895 k( 79) = ( 0.1367521 0.1367521 0.0000000), wk = 0.0032895 k( 80) = ( 0.1282051 0.1282051 0.0000000), wk = 0.0032895 k( 81) = ( 0.1196581 0.1196581 -0.0000000), wk = 0.0032895 k( 82) = ( 0.1111111 0.1111111 0.0000000), wk = 0.0032895 k( 83) = ( 0.1025641 0.1025641 -0.0000000), wk = 0.0032895 k( 84) = ( 0.0940171 0.0940171 -0.0000000), wk = 0.0032895 k( 85) = ( 0.0854701 0.0854701 -0.0000000), wk = 0.0032895 k( 86) = ( 0.0769231 0.0769231 -0.0000000), wk = 0.0032895 k( 87) = ( 0.0683761 0.0683761 0.0000000), wk = 0.0032895 k( 88) = ( 0.0598291 0.0598291 -0.0000000), wk = 0.0032895 k( 89) = ( 0.0512821 0.0512821 -0.0000000), wk = 0.0032895 k( 90) = ( 0.0427350 0.0427350 -0.0000000), wk = 0.0032895 k( 91) = ( 0.0341880 0.0341880 0.0000000), wk = 0.0032895 k( 92) = ( 0.0256410 0.0256410 0.0000000), wk = 0.0032895 k( 93) = ( 0.0170940 0.0170940 0.0000000), wk = 0.0032895 k( 94) = ( 0.0085470 0.0085470 0.0000000), wk = 0.0032895 k( 95) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032895 k( 96) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032895 k( 97) = ( 0.0000000 0.0000000 0.0135135), wk = 0.0032895 k( 98) = ( 0.0000000 0.0000000 0.0270270), wk = 0.0032895 k( 99) = ( 0.0000000 0.0000000 0.0405405), wk = 0.0032895 k( 100) = ( 0.0000000 0.0000000 0.0540540), wk = 0.0032895 k( 101) = ( 0.0000000 0.0000000 0.0675676), wk = 0.0032895 k( 102) = ( 0.0000000 0.0000000 0.0810811), wk = 0.0032895 k( 103) = ( 0.0000000 0.0000000 0.0945946), wk = 0.0032895 k( 104) = ( 0.0000000 0.0000000 0.1081081), wk = 0.0032895 k( 105) = ( 0.0000000 0.0000000 0.1216216), wk = 0.0032895 k( 106) = ( 0.0000000 0.0000000 0.1351351), wk = 0.0032895 k( 107) = ( 0.0000000 0.0000000 0.1486486), wk = 0.0032895 k( 108) = ( 0.0000000 0.0000000 0.1621622), wk = 0.0032895 k( 109) = ( 0.0000000 0.0000000 0.1756757), wk = 0.0032895 k( 110) = ( 0.0000000 0.0000000 0.1891892), wk = 0.0032895 k( 111) = ( 0.0000000 0.0000000 0.2027027), wk = 0.0032895 k( 112) = ( 0.0000000 0.0000000 0.2162162), wk = 0.0032895 k( 113) = ( 0.0000000 0.0000000 0.2297297), wk = 0.0032895 k( 114) = ( 0.0000000 0.0000000 0.2432432), wk = 0.0032895 k( 115) = ( 0.0000000 0.0000000 0.2567568), wk = 0.0032895 k( 116) = ( 0.0000000 0.0000000 0.2702703), wk = 0.0032895 k( 117) = ( 0.0000000 0.0000000 0.2837838), wk = 0.0032895 k( 118) = ( 0.0000000 0.0000000 0.2972973), wk = 0.0032895 k( 119) = ( 0.0000000 0.0000000 0.3108108), wk = 0.0032895 k( 120) = ( 0.0000000 0.0000000 0.3243243), wk = 0.0032895 k( 121) = ( 0.0000000 0.0000000 0.3378378), wk = 0.0032895 k( 122) = ( 0.0000000 0.0000000 0.3513514), wk = 0.0032895 k( 123) = ( 0.0000000 0.0000000 0.3648649), wk = 0.0032895 k( 124) = ( 0.0000000 0.0000000 0.3783784), wk = 0.0032895 k( 125) = ( 0.0000000 0.0000000 0.3918919), wk = 0.0032895 k( 126) = ( 0.0000000 0.0000000 0.4054054), wk = 0.0032895 k( 127) = ( 0.0000000 0.0000000 0.4189189), wk = 0.0032895 k( 128) = ( 0.0000000 0.0000000 0.4324324), wk = 0.0032895 k( 129) = ( 0.0000000 0.0000000 0.4459460), wk = 0.0032895 k( 130) = ( 0.0000000 0.0000000 0.4594595), wk = 0.0032895 k( 131) = ( 0.0000000 0.0000000 0.4729730), wk = 0.0032895 k( 132) = ( 0.0000000 0.0000000 0.4864865), wk = 0.0032895 k( 133) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0032895 k( 134) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0032895 k( 135) = ( 0.0151515 0.0000000 0.5000000), wk = 0.0032895 k( 136) = ( 0.0303030 0.0000000 0.5000000), wk = 0.0032895 k( 137) = ( 0.0454546 0.0000000 0.5000000), wk = 0.0032895 k( 138) = ( 0.0606061 0.0000000 0.5000000), wk = 0.0032895 k( 139) = ( 0.0757576 0.0000000 0.5000000), wk = 0.0032895 k( 140) = ( 0.0909091 0.0000000 0.5000000), wk = 0.0032895 k( 141) = ( 0.1060606 0.0000000 0.5000000), wk = 0.0032895 k( 142) = ( 0.1212121 0.0000000 0.5000000), wk = 0.0032895 k( 143) = ( 0.1363636 0.0000000 0.5000000), wk = 0.0032895 k( 144) = ( 0.1515151 0.0000000 0.5000000), wk = 0.0032895 k( 145) = ( 0.1666667 0.0000000 0.5000000), wk = 0.0032895 k( 146) = ( 0.1818182 0.0000000 0.5000000), wk = 0.0032895 k( 147) = ( 0.1969697 0.0000000 0.5000000), wk = 0.0032895 k( 148) = ( 0.2121212 0.0000000 0.5000000), wk = 0.0032895 k( 149) = ( 0.2272727 0.0000000 0.5000000), wk = 0.0032895 k( 150) = ( 0.2424242 0.0000000 0.5000000), wk = 0.0032895 k( 151) = ( 0.2575758 0.0000000 0.5000000), wk = 0.0032895 k( 152) = ( 0.2727273 0.0000000 0.5000000), wk = 0.0032895 k( 153) = ( 0.2878788 -0.0000000 0.5000000), wk = 0.0032895 k( 154) = ( 0.3030303 0.0000000 0.5000000), wk = 0.0032895 k( 155) = ( 0.3181818 0.0000000 0.5000000), wk = 0.0032895 k( 156) = ( 0.3333333 0.0000000 0.5000000), wk = 0.0032895 k( 157) = ( 0.3484849 0.0000000 0.5000000), wk = 0.0032895 k( 158) = ( 0.3636364 0.0000000 0.5000000), wk = 0.0032895 k( 159) = ( 0.3787879 0.0000000 0.5000000), wk = 0.0032895 k( 160) = ( 0.3939394 0.0000000 0.5000000), wk = 0.0032895 k( 161) = ( 0.4090909 0.0000000 0.5000000), wk = 0.0032895 k( 162) = ( 0.4242424 0.0000000 0.5000000), wk = 0.0032895 k( 163) = ( 0.4393939 0.0000000 0.5000000), wk = 0.0032895 k( 164) = ( 0.4545455 0.0000000 0.5000000), wk = 0.0032895 k( 165) = ( 0.4696970 0.0000000 0.5000000), wk = 0.0032895 k( 166) = ( 0.4848485 0.0000000 0.5000000), wk = 0.0032895 k( 167) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0032895 k( 168) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0032895 k( 169) = ( 0.4916667 0.0166667 0.5000000), wk = 0.0032895 k( 170) = ( 0.4833333 0.0333333 0.5000000), wk = 0.0032895 k( 171) = ( 0.4750000 0.0500000 0.5000000), wk = 0.0032895 k( 172) = ( 0.4666667 0.0666667 0.5000000), wk = 0.0032895 k( 173) = ( 0.4583333 0.0833333 0.5000000), wk = 0.0032895 k( 174) = ( 0.4500000 0.1000000 0.5000000), wk = 0.0032895 k( 175) = ( 0.4416667 0.1166667 0.5000000), wk = 0.0032895 k( 176) = ( 0.4333333 0.1333333 0.5000000), wk = 0.0032895 k( 177) = ( 0.4250000 0.1500000 0.5000000), wk = 0.0032895 k( 178) = ( 0.4166667 0.1666667 0.5000000), wk = 0.0032895 k( 179) = ( 0.4083333 0.1833333 0.5000000), wk = 0.0032895 k( 180) = ( 0.4000000 0.2000000 0.5000000), wk = 0.0032895 k( 181) = ( 0.3916667 0.2166667 0.5000000), wk = 0.0032895 k( 182) = ( 0.3833333 0.2333333 0.5000000), wk = 0.0032895 k( 183) = ( 0.3750000 0.2500000 0.5000000), wk = 0.0032895 k( 184) = ( 0.3666667 0.2666667 0.5000000), wk = 0.0032895 k( 185) = ( 0.3583333 0.2833333 0.5000000), wk = 0.0032895 k( 186) = ( 0.3500000 0.3000000 0.5000000), wk = 0.0032895 k( 187) = ( 0.3416667 0.3166667 0.5000000), wk = 0.0032895 k( 188) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0032895 k( 189) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0032895 k( 190) = ( 0.3247863 0.3247863 0.5000000), wk = 0.0032895 k( 191) = ( 0.3162393 0.3162393 0.5000000), wk = 0.0032895 k( 192) = ( 0.3076923 0.3076923 0.5000000), wk = 0.0032895 k( 193) = ( 0.2991453 0.2991453 0.5000000), wk = 0.0032895 k( 194) = ( 0.2905983 0.2905983 0.5000000), wk = 0.0032895 k( 195) = ( 0.2820513 0.2820513 0.5000000), wk = 0.0032895 k( 196) = ( 0.2735043 0.2735043 0.5000000), wk = 0.0032895 k( 197) = ( 0.2649573 0.2649573 0.5000000), wk = 0.0032895 k( 198) = ( 0.2564103 0.2564103 0.5000000), wk = 0.0032895 k( 199) = ( 0.2478633 0.2478633 0.5000000), wk = 0.0032895 k( 200) = ( 0.2393162 0.2393162 0.5000000), wk = 0.0032895 k( 201) = ( 0.2307692 0.2307692 0.5000000), wk = 0.0032895 k( 202) = ( 0.2222222 0.2222222 0.5000000), wk = 0.0032895 k( 203) = ( 0.2136752 0.2136752 0.5000000), wk = 0.0032895 k( 204) = ( 0.2051282 0.2051282 0.5000000), wk = 0.0032895 k( 205) = ( 0.1965812 0.1965812 0.5000000), wk = 0.0032895 k( 206) = ( 0.1880342 0.1880342 0.5000000), wk = 0.0032895 k( 207) = ( 0.1794872 0.1794872 0.5000000), wk = 0.0032895 k( 208) = ( 0.1709402 0.1709402 0.5000000), wk = 0.0032895 k( 209) = ( 0.1623932 0.1623932 0.5000000), wk = 0.0032895 k( 210) = ( 0.1538461 0.1538461 0.5000000), wk = 0.0032895 k( 211) = ( 0.1452991 0.1452991 0.5000000), wk = 0.0032895 k( 212) = ( 0.1367521 0.1367521 0.5000000), wk = 0.0032895 k( 213) = ( 0.1282051 0.1282051 0.5000000), wk = 0.0032895 k( 214) = ( 0.1196581 0.1196581 0.5000000), wk = 0.0032895 k( 215) = ( 0.1111111 0.1111111 0.5000000), wk = 0.0032895 k( 216) = ( 0.1025641 0.1025641 0.5000000), wk = 0.0032895 k( 217) = ( 0.0940171 0.0940171 0.5000000), wk = 0.0032895 k( 218) = ( 0.0854701 0.0854701 0.5000000), wk = 0.0032895 k( 219) = ( 0.0769231 0.0769231 0.5000000), wk = 0.0032895 k( 220) = ( 0.0683761 0.0683761 0.5000000), wk = 0.0032895 k( 221) = ( 0.0598291 0.0598291 0.5000000), wk = 0.0032895 k( 222) = ( 0.0512821 0.0512821 0.5000000), wk = 0.0032895 k( 223) = ( 0.0427350 0.0427350 0.5000000), wk = 0.0032895 k( 224) = ( 0.0341880 0.0341880 0.5000000), wk = 0.0032895 k( 225) = ( 0.0256410 0.0256410 0.5000000), wk = 0.0032895 k( 226) = ( 0.0170940 0.0170940 0.5000000), wk = 0.0032895 k( 227) = ( 0.0085470 0.0085470 0.5000000), wk = 0.0032895 k( 228) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0032895 k( 229) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0032895 k( 230) = ( 0.5000000 0.0000000 0.4864865), wk = 0.0032895 k( 231) = ( 0.5000000 0.0000000 0.4729730), wk = 0.0032895 k( 232) = ( 0.5000000 0.0000000 0.4594595), wk = 0.0032895 k( 233) = ( 0.5000000 0.0000000 0.4459460), wk = 0.0032895 k( 234) = ( 0.5000000 0.0000000 0.4324324), wk = 0.0032895 k( 235) = ( 0.5000000 0.0000000 0.4189189), wk = 0.0032895 k( 236) = ( 0.5000000 0.0000000 0.4054054), wk = 0.0032895 k( 237) = ( 0.5000000 0.0000000 0.3918919), wk = 0.0032895 k( 238) = ( 0.5000000 0.0000000 0.3783784), wk = 0.0032895 k( 239) = ( 0.5000000 0.0000000 0.3648649), wk = 0.0032895 k( 240) = ( 0.5000000 0.0000000 0.3513514), wk = 0.0032895 k( 241) = ( 0.5000000 0.0000000 0.3378378), wk = 0.0032895 k( 242) = ( 0.5000000 0.0000000 0.3243243), wk = 0.0032895 k( 243) = ( 0.5000000 0.0000000 0.3108108), wk = 0.0032895 k( 244) = ( 0.5000000 0.0000000 0.2972973), wk = 0.0032895 k( 245) = ( 0.5000000 0.0000000 0.2837838), wk = 0.0032895 k( 246) = ( 0.5000000 0.0000000 0.2702703), wk = 0.0032895 k( 247) = ( 0.5000000 0.0000000 0.2567568), wk = 0.0032895 k( 248) = ( 0.5000000 0.0000000 0.2432432), wk = 0.0032895 k( 249) = ( 0.5000000 0.0000000 0.2297297), wk = 0.0032895 k( 250) = ( 0.5000000 0.0000000 0.2162162), wk = 0.0032895 k( 251) = ( 0.5000000 0.0000000 0.2027027), wk = 0.0032895 k( 252) = ( 0.5000000 0.0000000 0.1891892), wk = 0.0032895 k( 253) = ( 0.5000000 0.0000000 0.1756757), wk = 0.0032895 k( 254) = ( 0.5000000 0.0000000 0.1621622), wk = 0.0032895 k( 255) = ( 0.5000000 0.0000000 0.1486487), wk = 0.0032895 k( 256) = ( 0.5000000 0.0000000 0.1351351), wk = 0.0032895 k( 257) = ( 0.5000000 0.0000000 0.1216216), wk = 0.0032895 k( 258) = ( 0.5000000 0.0000000 0.1081081), wk = 0.0032895 k( 259) = ( 0.5000000 0.0000000 0.0945946), wk = 0.0032895 k( 260) = ( 0.5000000 0.0000000 0.0810811), wk = 0.0032895 k( 261) = ( 0.5000000 0.0000000 0.0675676), wk = 0.0032895 k( 262) = ( 0.5000000 0.0000000 0.0540541), wk = 0.0032895 k( 263) = ( 0.5000000 0.0000000 0.0405405), wk = 0.0032895 k( 264) = ( 0.5000000 0.0000000 0.0270270), wk = 0.0032895 k( 265) = ( 0.5000000 0.0000000 0.0135135), wk = 0.0032895 k( 266) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0032895 k( 267) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0032895 k( 268) = ( 0.3333333 0.3333333 0.0135135), wk = 0.0032895 k( 269) = ( 0.3333333 0.3333333 0.0270270), wk = 0.0032895 k( 270) = ( 0.3333333 0.3333333 0.0405405), wk = 0.0032895 k( 271) = ( 0.3333333 0.3333333 0.0540541), wk = 0.0032895 k( 272) = ( 0.3333333 0.3333333 0.0675676), wk = 0.0032895 k( 273) = ( 0.3333333 0.3333333 0.0810811), wk = 0.0032895 k( 274) = ( 0.3333333 0.3333333 0.0945946), wk = 0.0032895 k( 275) = ( 0.3333333 0.3333333 0.1081081), wk = 0.0032895 k( 276) = ( 0.3333333 0.3333333 0.1216216), wk = 0.0032895 k( 277) = ( 0.3333333 0.3333333 0.1351351), wk = 0.0032895 k( 278) = ( 0.3333333 0.3333333 0.1486486), wk = 0.0032895 k( 279) = ( 0.3333333 0.3333333 0.1621622), wk = 0.0032895 k( 280) = ( 0.3333333 0.3333333 0.1756757), wk = 0.0032895 k( 281) = ( 0.3333333 0.3333333 0.1891892), wk = 0.0032895 k( 282) = ( 0.3333333 0.3333333 0.2027027), wk = 0.0032895 k( 283) = ( 0.3333333 0.3333333 0.2162162), wk = 0.0032895 k( 284) = ( 0.3333333 0.3333333 0.2297297), wk = 0.0032895 k( 285) = ( 0.3333333 0.3333333 0.2432432), wk = 0.0032895 k( 286) = ( 0.3333333 0.3333333 0.2567568), wk = 0.0032895 k( 287) = ( 0.3333333 0.3333333 0.2702703), wk = 0.0032895 k( 288) = ( 0.3333333 0.3333333 0.2837838), wk = 0.0032895 k( 289) = ( 0.3333333 0.3333333 0.2972973), wk = 0.0032895 k( 290) = ( 0.3333333 0.3333333 0.3108108), wk = 0.0032895 k( 291) = ( 0.3333333 0.3333333 0.3243243), wk = 0.0032895 k( 292) = ( 0.3333333 0.3333333 0.3378378), wk = 0.0032895 k( 293) = ( 0.3333333 0.3333333 0.3513514), wk = 0.0032895 k( 294) = ( 0.3333333 0.3333333 0.3648649), wk = 0.0032895 k( 295) = ( 0.3333333 0.3333333 0.3783784), wk = 0.0032895 k( 296) = ( 0.3333333 0.3333333 0.3918919), wk = 0.0032895 k( 297) = ( 0.3333333 0.3333333 0.4054054), wk = 0.0032895 k( 298) = ( 0.3333333 0.3333333 0.4189189), wk = 0.0032895 k( 299) = ( 0.3333333 0.3333333 0.4324324), wk = 0.0032895 k( 300) = ( 0.3333333 0.3333333 0.4459460), wk = 0.0032895 k( 301) = ( 0.3333333 0.3333333 0.4594595), wk = 0.0032895 k( 302) = ( 0.3333333 0.3333333 0.4729730), wk = 0.0032895 k( 303) = ( 0.3333333 0.3333333 0.4864865), wk = 0.0032895 k( 304) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0032895 Dense grid: 116887 G-vectors FFT dimensions: ( 72, 72, 60) Smooth grid: 27213 G-vectors FFT dimensions: ( 45, 45, 36) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.21 Mb ( 188, 72) NL pseudopotentials 0.29 Mb ( 94, 205) Each V/rho on FFT grid 0.16 Mb ( 10368) Each G-vector array 0.02 Mb ( 3250) G-vector shells 0.01 Mb ( 1463) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.83 Mb ( 188, 288) Each subspace H/S matrix 0.08 Mb ( 72, 72) Each matrix 0.45 Mb ( 205, 2, 72) The potential is recalculated from file : ./BaPt5.save/charge-density.dat Starting wfc are 100 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.1 secs Computing kpt #: 2 total cpu time spent up to now is 4.0 secs Computing kpt #: 3 total cpu time spent up to now is 5.0 secs Computing kpt #: 4 total cpu time spent up to now is 6.0 secs Computing kpt #: 5 total cpu time spent up to now is 6.9 secs Computing kpt #: 6 total cpu time spent up to now is 7.9 secs Computing kpt #: 7 total cpu time spent up to now is 8.8 secs Computing kpt #: 8 total cpu time spent up to now is 9.9 secs Computing kpt #: 9 total cpu time spent up to now is 10.9 secs Computing kpt #: 10 total cpu time spent up to now is 11.8 secs Computing kpt #: 11 total cpu time spent up to now is 12.8 secs Computing kpt #: 12 total cpu time spent up to now is 13.7 secs Computing kpt #: 13 total cpu time spent up to now is 14.7 secs Computing kpt #: 14 total cpu time spent up to now is 15.6 secs Computing kpt #: 15 total cpu time spent up to now is 16.6 secs Computing kpt #: 16 total cpu time spent up to now is 17.5 secs Computing kpt #: 17 total cpu time spent up to now is 18.5 secs Computing kpt #: 18 total cpu time spent up to now is 19.4 secs Computing kpt #: 19 total cpu time spent up to now is 20.4 secs Computing kpt #: 20 total cpu time spent up to now is 21.3 secs Computing kpt #: 21 total cpu time spent up to now is 22.3 secs Computing kpt #: 22 total cpu time spent up to now is 23.2 secs Computing kpt #: 23 total cpu time spent up to now is 24.2 secs Computing kpt #: 24 total cpu time spent up to now is 25.1 secs Computing kpt #: 25 total cpu time spent up to now is 26.1 secs Computing kpt #: 26 total cpu time spent up to now is 27.0 secs Computing kpt #: 27 total cpu time spent up to now is 27.9 secs Computing kpt #: 28 total cpu time spent up to now is 28.9 secs Computing kpt #: 29 total cpu time spent up to now is 29.8 secs Computing kpt #: 30 total cpu time spent up to now is 30.8 secs Computing kpt #: 31 total cpu time spent up to now is 31.7 secs Computing kpt #: 32 total cpu time spent up to now is 32.7 secs Computing kpt #: 33 total cpu time spent up to now is 33.6 secs Computing kpt #: 34 total cpu time spent up to now is 34.5 secs Computing kpt #: 35 total cpu time spent up to now is 35.5 secs Computing kpt #: 36 total cpu time spent up to now is 36.4 secs Computing kpt #: 37 total cpu time spent up to now is 37.4 secs Computing kpt #: 38 total cpu time spent up to now is 38.3 secs Computing kpt #: 39 total cpu time spent up to now is 39.3 secs Computing kpt #: 40 total cpu time spent up to now is 40.4 secs Computing kpt #: 41 total cpu time spent up to now is 41.3 secs Computing kpt #: 42 total cpu time spent up to now is 42.2 secs Computing kpt #: 43 total cpu time spent up to now is 43.2 secs Computing kpt #: 44 total cpu time spent up to now is 44.1 secs Computing kpt #: 45 total cpu time spent up to now is 45.0 secs Computing kpt #: 46 total cpu time spent up to now is 45.9 secs Computing kpt #: 47 total cpu time spent up to now is 46.9 secs Computing kpt #: 48 total cpu time spent up to now is 47.8 secs Computing kpt #: 49 total cpu time spent up to now is 48.7 secs Computing kpt #: 50 total cpu time spent up to now is 49.7 secs Computing kpt #: 51 total cpu time spent up to now is 50.6 secs Computing kpt #: 52 total cpu time spent up to now is 51.6 secs Computing kpt #: 53 total cpu time spent up to now is 52.6 secs Computing kpt #: 54 total cpu time spent up to now is 53.5 secs Computing kpt #: 55 total cpu time spent up to now is 54.5 secs Computing kpt #: 56 total cpu time spent up to now is 55.4 secs Computing kpt #: 57 total cpu time spent up to now is 56.4 secs Computing kpt #: 58 total cpu time spent up to now is 57.4 secs Computing kpt #: 59 total cpu time spent up to now is 58.4 secs Computing kpt #: 60 total cpu time spent up to now is 59.3 secs Computing kpt #: 61 total cpu time spent up to now is 60.3 secs Computing kpt #: 62 total cpu time spent up to now is 61.2 secs Computing kpt #: 63 total cpu time spent up to now is 62.1 secs Computing kpt #: 64 total cpu time spent up to now is 63.1 secs Computing kpt #: 65 total cpu time spent up to now is 64.0 secs Computing kpt #: 66 total cpu time spent up to now is 64.9 secs Computing kpt #: 67 total cpu time spent up to now is 65.8 secs Computing kpt #: 68 total cpu time spent up to now is 66.8 secs Computing kpt #: 69 total cpu time spent up to now is 67.7 secs Computing kpt #: 70 total cpu time spent up to now is 68.7 secs Computing kpt #: 71 total cpu time spent up to now is 69.7 secs Computing kpt #: 72 total cpu time spent up to now is 70.9 secs Computing kpt #: 73 total cpu time spent up to now is 71.9 secs Computing kpt #: 74 total cpu time spent up to now is 72.9 secs Computing kpt #: 75 total cpu time spent up to now is 73.9 secs Computing kpt #: 76 total cpu time spent up to now is 74.9 secs Computing kpt #: 77 total cpu time spent up to now is 75.9 secs Computing kpt #: 78 total cpu time spent up to now is 77.0 secs Computing kpt #: 79 total cpu time spent up to now is 78.2 secs Computing kpt #: 80 total cpu time spent up to now is 79.3 secs Computing kpt #: 81 total cpu time spent up to now is 80.3 secs Computing kpt #: 82 total cpu time spent up to now is 81.3 secs Computing kpt #: 83 total cpu time spent up to now is 82.3 secs Computing kpt #: 84 total cpu time spent up to now is 83.3 secs Computing kpt #: 85 total cpu time spent up to now is 84.3 secs Computing kpt #: 86 total cpu time spent up to now is 85.3 secs Computing kpt #: 87 total cpu time spent up to now is 86.2 secs Computing kpt #: 88 total cpu time spent up to now is 87.2 secs Computing kpt #: 89 total cpu time spent up to now is 88.1 secs Computing kpt #: 90 total cpu time spent up to now is 89.1 secs Computing kpt #: 91 total cpu time spent up to now is 90.0 secs Computing kpt #: 92 total cpu time spent up to now is 91.0 secs Computing kpt #: 93 total cpu time spent up to now is 91.9 secs Computing kpt #: 94 total cpu time spent up to now is 92.9 secs Computing kpt #: 95 total cpu time spent up to now is 93.7 secs Computing kpt #: 96 total cpu time spent up to now is 94.5 secs Computing kpt #: 97 total cpu time spent up to now is 95.3 secs Computing kpt #: 98 total cpu time spent up to now is 96.2 secs Computing kpt #: 99 total cpu time spent up to now is 97.1 secs Computing kpt #: 100 total cpu time spent up to now is 98.1 secs Computing kpt #: 101 total cpu time spent up to now is 99.0 secs Computing kpt #: 102 total cpu time spent up to now is 99.9 secs Computing kpt #: 103 total cpu time spent up to now is 100.8 secs Computing kpt #: 104 total cpu time spent up to now is 101.7 secs Computing kpt #: 105 total cpu time spent up to now is 102.6 secs Computing kpt #: 106 total cpu time spent up to now is 103.5 secs Computing kpt #: 107 total cpu time spent up to now is 104.3 secs Computing kpt #: 108 total cpu time spent up to now is 105.1 secs Computing kpt #: 109 total cpu time spent up to now is 105.8 secs Computing kpt #: 110 total cpu time spent up to now is 106.6 secs Computing kpt #: 111 total cpu time spent up to now is 107.4 secs Computing kpt #: 112 total cpu time spent up to now is 108.1 secs Computing kpt #: 113 total cpu time spent up to now is 108.9 secs Computing kpt #: 114 total cpu time spent up to now is 109.7 secs Computing kpt #: 115 total cpu time spent up to now is 110.5 secs Computing kpt #: 116 total cpu time spent up to now is 111.2 secs Computing kpt #: 117 total cpu time spent up to now is 112.0 secs Computing kpt #: 118 total cpu time spent up to now is 112.7 secs Computing kpt #: 119 total cpu time spent up to now is 113.4 secs Computing kpt #: 120 total cpu time spent up to now is 114.2 secs Computing kpt #: 121 total cpu time spent up to now is 114.9 secs Computing kpt #: 122 total cpu time spent up to now is 115.6 secs Computing kpt #: 123 total cpu time spent up to now is 116.4 secs Computing kpt #: 124 total cpu time spent up to now is 117.1 secs Computing kpt #: 125 total cpu time spent up to now is 117.8 secs Computing kpt #: 126 total cpu time spent up to now is 118.6 secs Computing kpt #: 127 total cpu time spent up to now is 119.3 secs Computing kpt #: 128 total cpu time spent up to now is 120.0 secs Computing kpt #: 129 total cpu time spent up to now is 120.7 secs Computing kpt #: 130 total cpu time spent up to now is 121.4 secs Computing kpt #: 131 total cpu time spent up to now is 122.1 secs Computing kpt #: 132 total cpu time spent up to now is 122.8 secs Computing kpt #: 133 total cpu time spent up to now is 123.5 secs Computing kpt #: 134 total cpu time spent up to now is 124.1 secs Computing kpt #: 135 total cpu time spent up to now is 124.8 secs Computing kpt #: 136 total cpu time spent up to now is 125.5 secs Computing kpt #: 137 total cpu time spent up to now is 126.3 secs Computing kpt #: 138 total cpu time spent up to now is 127.0 secs Computing kpt #: 139 total cpu time spent up to now is 127.7 secs Computing kpt #: 140 total cpu time spent up to now is 128.5 secs Computing kpt #: 141 total cpu time spent up to now is 129.2 secs Computing kpt #: 142 total cpu time spent up to now is 130.0 secs Computing kpt #: 143 total cpu time spent up to now is 130.8 secs Computing kpt #: 144 total cpu time spent up to now is 131.6 secs Computing kpt #: 145 total cpu time spent up to now is 132.4 secs Computing kpt #: 146 total cpu time spent up to now is 133.1 secs Computing kpt #: 147 total cpu time spent up to now is 133.9 secs Computing kpt #: 148 total cpu time spent up to now is 134.7 secs Computing kpt #: 149 total cpu time spent up to now is 135.5 secs Computing kpt #: 150 total cpu time spent up to now is 136.3 secs Computing kpt #: 151 total cpu time spent up to now is 137.1 secs Computing kpt #: 152 total cpu time spent up to now is 137.9 secs Computing kpt #: 153 total cpu time spent up to now is 138.7 secs Computing kpt #: 154 total cpu time spent up to now is 139.4 secs Computing kpt #: 155 total cpu time spent up to now is 140.2 secs Computing kpt #: 156 total cpu time spent up to now is 140.9 secs Computing kpt #: 157 total cpu time spent up to now is 141.7 secs Computing kpt #: 158 total cpu time spent up to now is 142.5 secs Computing kpt #: 159 total cpu time spent up to now is 143.2 secs Computing kpt #: 160 total cpu time spent up to now is 144.0 secs Computing kpt #: 161 total cpu time spent up to now is 144.8 secs Computing kpt #: 162 total cpu time spent up to now is 145.5 secs Computing kpt #: 163 total cpu time spent up to now is 146.3 secs Computing kpt #: 164 total cpu time spent up to now is 147.1 secs Computing kpt #: 165 total cpu time spent up to now is 147.8 secs Computing kpt #: 166 total cpu time spent up to now is 148.6 secs Computing kpt #: 167 total cpu time spent up to now is 149.3 secs Computing kpt #: 168 total cpu time spent up to now is 150.0 secs Computing kpt #: 169 total cpu time spent up to now is 150.8 secs Computing kpt #: 170 total cpu time spent up to now is 151.6 secs Computing kpt #: 171 total cpu time spent up to now is 152.3 secs Computing kpt #: 172 total cpu time spent up to now is 153.1 secs Computing kpt #: 173 total cpu time spent up to now is 153.9 secs Computing kpt #: 174 total cpu time spent up to now is 154.7 secs Computing kpt #: 175 total cpu time spent up to now is 155.5 secs Computing kpt #: 176 total cpu time spent up to now is 156.4 secs Computing kpt #: 177 total cpu time spent up to now is 157.3 secs Computing kpt #: 178 total cpu time spent up to now is 158.2 secs Computing kpt #: 179 total cpu time spent up to now is 159.1 secs Computing kpt #: 180 total cpu time spent up to now is 160.0 secs Computing kpt #: 181 total cpu time spent up to now is 160.9 secs Computing kpt #: 182 total cpu time spent up to now is 161.9 secs Computing kpt #: 183 total cpu time spent up to now is 162.9 secs Computing kpt #: 184 total cpu time spent up to now is 163.9 secs Computing kpt #: 185 total cpu time spent up to now is 164.9 secs Computing kpt #: 186 total cpu time spent up to now is 166.0 secs Computing kpt #: 187 total cpu time spent up to now is 167.2 secs Computing kpt #: 188 total cpu time spent up to now is 168.6 secs Computing kpt #: 189 total cpu time spent up to now is 169.9 secs Computing kpt #: 190 total cpu time spent up to now is 171.2 secs Computing kpt #: 191 total cpu time spent up to now is 172.3 secs Computing kpt #: 192 total cpu time spent up to now is 173.3 secs Computing kpt #: 193 total cpu time spent up to now is 174.4 secs Computing kpt #: 194 total cpu time spent up to now is 175.4 secs Computing kpt #: 195 total cpu time spent up to now is 176.4 secs Computing kpt #: 196 total cpu time spent up to now is 177.3 secs Computing kpt #: 197 total cpu time spent up to now is 178.3 secs Computing kpt #: 198 total cpu time spent up to now is 179.2 secs Computing kpt #: 199 total cpu time spent up to now is 180.1 secs Computing kpt #: 200 total cpu time spent up to now is 181.0 secs Computing kpt #: 201 total cpu time spent up to now is 181.8 secs Computing kpt #: 202 total cpu time spent up to now is 182.7 secs Computing kpt #: 203 total cpu time spent up to now is 183.5 secs Computing kpt #: 204 total cpu time spent up to now is 184.2 secs Computing kpt #: 205 total cpu time spent up to now is 185.0 secs Computing kpt #: 206 total cpu time spent up to now is 185.8 secs Computing kpt #: 207 total cpu time spent up to now is 186.6 secs Computing kpt #: 208 total cpu time spent up to now is 187.3 secs Computing kpt #: 209 total cpu time spent up to now is 188.1 secs Computing kpt #: 210 total cpu time spent up to now is 188.9 secs Computing kpt #: 211 total cpu time spent up to now is 189.6 secs Computing kpt #: 212 total cpu time spent up to now is 190.4 secs Computing kpt #: 213 total cpu time spent up to now is 191.1 secs Computing kpt #: 214 total cpu time spent up to now is 191.9 secs Computing kpt #: 215 total cpu time spent up to now is 192.7 secs Computing kpt #: 216 total cpu time spent up to now is 193.4 secs Computing kpt #: 217 total cpu time spent up to now is 194.2 secs Computing kpt #: 218 total cpu time spent up to now is 194.9 secs Computing kpt #: 219 total cpu time spent up to now is 195.7 secs Computing kpt #: 220 total cpu time spent up to now is 196.4 secs Computing kpt #: 221 total cpu time spent up to now is 197.2 secs Computing kpt #: 222 total cpu time spent up to now is 197.9 secs Computing kpt #: 223 total cpu time spent up to now is 198.7 secs Computing kpt #: 224 total cpu time spent up to now is 199.4 secs Computing kpt #: 225 total cpu time spent up to now is 200.1 secs Computing kpt #: 226 total cpu time spent up to now is 200.8 secs Computing kpt #: 227 total cpu time spent up to now is 201.5 secs Computing kpt #: 228 total cpu time spent up to now is 202.2 secs Computing kpt #: 229 total cpu time spent up to now is 202.9 secs Computing kpt #: 230 total cpu time spent up to now is 203.7 secs Computing kpt #: 231 total cpu time spent up to now is 204.5 secs Computing kpt #: 232 total cpu time spent up to now is 205.2 secs Computing kpt #: 233 total cpu time spent up to now is 206.1 secs Computing kpt #: 234 total cpu time spent up to now is 206.9 secs Computing kpt #: 235 total cpu time spent up to now is 207.7 secs Computing kpt #: 236 total cpu time spent up to now is 208.5 secs Computing kpt #: 237 total cpu time spent up to now is 209.3 secs Computing kpt #: 238 total cpu time spent up to now is 210.2 secs Computing kpt #: 239 total cpu time spent up to now is 211.1 secs Computing kpt #: 240 total cpu time spent up to now is 212.0 secs Computing kpt #: 241 total cpu time spent up to now is 213.0 secs Computing kpt #: 242 total cpu time spent up to now is 213.9 secs Computing kpt #: 243 total cpu time spent up to now is 214.8 secs Computing kpt #: 244 total cpu time spent up to now is 215.8 secs Computing kpt #: 245 total cpu time spent up to now is 216.8 secs Computing kpt #: 246 total cpu time spent up to now is 217.8 secs Computing kpt #: 247 total cpu time spent up to now is 218.8 secs Computing kpt #: 248 total cpu time spent up to now is 220.0 secs Computing kpt #: 249 total cpu time spent up to now is 221.5 secs Computing kpt #: 250 total cpu time spent up to now is 223.0 secs Computing kpt #: 251 total cpu time spent up to now is 224.3 secs Computing kpt #: 252 total cpu time spent up to now is 225.5 secs Computing kpt #: 253 total cpu time spent up to now is 226.7 secs Computing kpt #: 254 total cpu time spent up to now is 227.9 secs Computing kpt #: 255 total cpu time spent up to now is 229.0 secs Computing kpt #: 256 total cpu time spent up to now is 230.1 secs Computing kpt #: 257 total cpu time spent up to now is 231.2 secs Computing kpt #: 258 total cpu time spent up to now is 232.2 secs Computing kpt #: 259 total cpu time spent up to now is 233.2 secs Computing kpt #: 260 total cpu time spent up to now is 234.2 secs Computing kpt #: 261 total cpu time spent up to now is 235.2 secs Computing kpt #: 262 total cpu time spent up to now is 236.2 secs Computing kpt #: 263 total cpu time spent up to now is 237.1 secs Computing kpt #: 264 total cpu time spent up to now is 238.1 secs Computing kpt #: 265 total cpu time spent up to now is 239.0 secs Computing kpt #: 266 total cpu time spent up to now is 239.9 secs Computing kpt #: 267 total cpu time spent up to now is 240.9 secs Computing kpt #: 268 total cpu time spent up to now is 241.8 secs Computing kpt #: 269 total cpu time spent up to now is 242.8 secs Computing kpt #: 270 total cpu time spent up to now is 243.7 secs Computing kpt #: 271 total cpu time spent up to now is 244.7 secs Computing kpt #: 272 total cpu time spent up to now is 245.6 secs Computing kpt #: 273 total cpu time spent up to now is 246.6 secs Computing kpt #: 274 total cpu time spent up to now is 247.5 secs Computing kpt #: 275 total cpu time spent up to now is 248.5 secs Computing kpt #: 276 total cpu time spent up to now is 249.4 secs Computing kpt #: 277 total cpu time spent up to now is 250.4 secs Computing kpt #: 278 total cpu time spent up to now is 251.4 secs Computing kpt #: 279 total cpu time spent up to now is 252.4 secs Computing kpt #: 280 total cpu time spent up to now is 253.3 secs Computing kpt #: 281 total cpu time spent up to now is 254.4 secs Computing kpt #: 282 total cpu time spent up to now is 255.4 secs Computing kpt #: 283 total cpu time spent up to now is 256.5 secs Computing kpt #: 284 total cpu time spent up to now is 257.6 secs Computing kpt #: 285 total cpu time spent up to now is 258.6 secs Computing kpt #: 286 total cpu time spent up to now is 259.7 secs Computing kpt #: 287 total cpu time spent up to now is 260.8 secs Computing kpt #: 288 total cpu time spent up to now is 261.9 secs Computing kpt #: 289 total cpu time spent up to now is 263.4 secs Computing kpt #: 290 total cpu time spent up to now is 264.9 secs Computing kpt #: 291 total cpu time spent up to now is 266.3 secs Computing kpt #: 292 total cpu time spent up to now is 267.9 secs Computing kpt #: 293 total cpu time spent up to now is 269.6 secs Computing kpt #: 294 total cpu time spent up to now is 271.3 secs Computing kpt #: 295 total cpu time spent up to now is 273.1 secs Computing kpt #: 296 total cpu time spent up to now is 274.5 secs Computing kpt #: 297 total cpu time spent up to now is 277.0 secs Computing kpt #: 298 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 279.2 secs Computing kpt #: 299 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 281.3 secs Computing kpt #: 300 total cpu time spent up to now is 282.4 secs Computing kpt #: 301 total cpu time spent up to now is 283.4 secs Computing kpt #: 302 total cpu time spent up to now is 285.0 secs Computing kpt #: 303 total cpu time spent up to now is 286.6 secs Computing kpt #: 304 total cpu time spent up to now is 287.9 secs ethr = 1.67E-08, avg # of iterations = 26.4 total cpu time spent up to now is 287.9 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3437 PWs) bands (ev): -11.7179 -11.7179 1.4537 1.4537 3.2468 3.2468 3.5204 3.5204 5.6854 5.6854 8.3376 8.3376 9.2317 9.2317 9.3043 9.3043 9.4133 9.4133 9.4954 9.4954 9.5460 9.5460 9.8356 9.8356 9.9974 9.9974 10.1266 10.1266 10.3375 10.3375 11.0424 11.0424 11.2234 11.2234 11.9435 11.9435 12.3744 12.3744 12.3748 12.3748 12.8981 12.8981 12.9022 12.9022 13.0125 13.0125 13.2402 13.2402 13.4645 13.4645 13.4761 13.4761 14.1235 14.1235 14.9416 14.9416 15.1682 15.1682 15.4960 15.4960 15.5639 15.5639 16.3324 16.3324 17.0086 17.0086 17.4617 17.4617 17.5617 17.5617 18.1003 18.1003 k = 0.0152 0.0087-0.0000 ( 3443 PWs) bands (ev): -11.7179 -11.7179 1.4535 1.4535 3.2462 3.2462 3.5201 3.5201 5.6879 5.6879 8.3397 8.3397 9.2324 9.2324 9.3049 9.3049 9.4136 9.4136 9.4961 9.4961 9.5466 9.5466 9.8340 9.8340 9.9956 9.9956 10.1275 10.1275 10.3379 10.3379 11.0419 11.0419 11.2222 11.2222 11.9445 11.9445 12.3744 12.3744 12.3746 12.3746 12.8981 12.8981 12.9025 12.9025 13.0115 13.0115 13.2402 13.2402 13.4643 13.4643 13.4757 13.4757 14.1230 14.1230 14.9365 14.9365 15.1619 15.1619 15.4888 15.4888 15.5565 15.5565 16.3457 16.3457 17.0060 17.0060 17.4682 17.4682 17.5609 17.5609 18.0900 18.0900 k = 0.0303 0.0175-0.0000 ( 3427 PWs) bands (ev): -11.7178 -11.7178 1.4530 1.4530 3.2445 3.2445 3.5194 3.5194 5.6952 5.6952 8.3460 8.3460 9.2344 9.2344 9.3069 9.3069 9.4146 9.4146 9.4979 9.4979 9.5486 9.5486 9.8291 9.8291 9.9907 9.9907 10.1305 10.1305 10.3389 10.3389 11.0400 11.0400 11.2188 11.2188 11.9473 11.9473 12.3742 12.3742 12.3743 12.3743 12.8982 12.8982 12.9034 12.9034 13.0085 13.0085 13.2401 13.2401 13.4636 13.4636 13.4744 13.4744 14.1217 14.1217 14.9210 14.9210 15.1432 15.1432 15.4626 15.4626 15.5415 15.5415 16.3830 16.3830 16.9985 16.9985 17.4841 17.4841 17.5599 17.5599 18.0689 18.0689 k = 0.0455 0.0262-0.0000 ( 3423 PWs) bands (ev): -11.7177 -11.7177 1.4521 1.4521 3.2417 3.2417 3.5182 3.5182 5.7073 5.7073 8.3566 8.3566 9.2378 9.2378 9.3103 9.3103 9.4158 9.4158 9.5006 9.5006 9.5525 9.5525 9.8207 9.8207 9.9834 9.9834 10.1354 10.1354 10.3403 10.3403 11.0368 11.0368 11.2132 11.2132 11.9521 11.9521 12.3733 12.3733 12.3742 12.3742 12.8982 12.8982 12.9048 12.9048 13.0039 13.0039 13.2398 13.2398 13.4625 13.4625 13.4724 13.4724 14.1195 14.1195 14.8951 14.8951 15.1133 15.1133 15.4138 15.4138 15.5284 15.5284 16.4384 16.4384 16.9867 16.9867 17.4899 17.4899 17.5733 17.5733 18.0538 18.0538 k = 0.0606 0.0350-0.0000 ( 3419 PWs) bands (ev): -11.7176 -11.7176 1.4509 1.4509 3.2379 3.2379 3.5166 3.5166 5.7241 5.7241 8.3712 8.3712 9.2425 9.2425 9.3148 9.3148 9.4170 9.4170 9.5034 9.5034 9.5589 9.5589 9.8090 9.8090 9.9747 9.9747 10.1422 10.1422 10.3415 10.3415 11.0318 11.0318 11.2059 11.2059 11.9584 11.9584 12.3722 12.3722 12.3741 12.3741 12.8981 12.8981 12.9065 12.9065 12.9979 12.9979 13.2392 13.2392 13.4609 13.4609 13.4695 13.4695 14.1165 14.1165 14.8589 14.8589 15.0739 15.0739 15.3474 15.3474 15.5180 15.5180 16.5059 16.5059 16.9714 16.9714 17.4640 17.4640 17.6182 17.6182 18.0549 18.0549 k = 0.0758 0.0437-0.0000 ( 3419 PWs) bands (ev): -11.7174 -11.7174 1.4494 1.4494 3.2330 3.2330 3.5147 3.5147 5.7456 5.7456 8.3898 8.3898 9.2483 9.2483 9.3206 9.3206 9.4174 9.4174 9.5058 9.5058 9.5686 9.5686 9.7941 9.7941 9.9657 9.9657 10.1510 10.1510 10.3421 10.3421 11.0248 11.0248 11.1974 11.1974 11.9664 11.9664 12.3708 12.3708 12.3739 12.3739 12.8979 12.8979 12.9082 12.9082 12.9911 12.9911 13.2382 13.2382 13.4587 13.4587 13.4660 13.4660 14.1126 14.1126 14.8125 14.8125 15.0270 15.0270 15.2697 15.2697 15.5089 15.5089 16.5804 16.5804 16.9530 16.9530 17.4160 17.4160 17.6848 17.6848 18.0744 18.0744 k = 0.0909 0.0525-0.0000 ( 3425 PWs) bands (ev): -11.7172 -11.7172 1.4476 1.4476 3.2272 3.2272 3.5124 3.5124 5.7715 5.7715 8.4122 8.4122 9.2553 9.2553 9.3274 9.3274 9.4159 9.4159 9.5076 9.5076 9.5820 9.5820 9.7771 9.7771 9.9572 9.9572 10.1617 10.1617 10.3418 10.3418 11.0153 11.0153 11.1881 11.1881 11.9756 11.9756 12.3690 12.3690 12.3738 12.3738 12.8975 12.8975 12.9094 12.9094 12.9844 12.9844 13.2365 13.2365 13.4556 13.4556 13.4620 13.4620 14.1080 14.1080 14.7564 14.7564 14.9744 14.9744 15.1847 15.1847 15.5003 15.5003 16.6580 16.6580 16.9313 16.9313 17.3571 17.3571 17.7654 17.7654 18.1094 18.1094 k = 0.1061 0.0612-0.0000 ( 3425 PWs) bands (ev): -11.7170 -11.7170 1.4455 1.4455 3.2205 3.2205 3.5098 3.5098 5.8016 5.8016 8.4382 8.4382 9.2633 9.2633 9.3351 9.3351 9.4112 9.4112 9.5093 9.5093 9.5990 9.5990 9.7595 9.7595 9.9495 9.9495 10.1741 10.1741 10.3402 10.3402 11.0030 11.0030 11.1787 11.1787 11.9858 11.9858 12.3670 12.3670 12.3736 12.3736 12.8969 12.8969 12.9090 12.9090 12.9787 12.9787 13.2341 13.2341 13.4513 13.4513 13.4579 13.4579 14.1026 14.1026 14.6915 14.6915 14.9179 14.9179 15.0944 15.0944 15.4923 15.4923 16.7351 16.7351 16.9047 16.9047 17.2969 17.2969 17.8561 17.8561 18.1552 18.1552 k = 0.1212 0.0700-0.0000 ( 3419 PWs) bands (ev): -11.7167 -11.7167 1.4431 1.4431 3.2130 3.2130 3.5071 3.5071 5.8359 5.8359 8.4677 8.4677 9.2720 9.2720 9.3434 9.3434 9.4014 9.4014 9.5117 9.5117 9.6188 9.6188 9.7435 9.7435 9.9427 9.9427 10.1881 10.1881 10.3374 10.3374 10.9875 10.9875 11.1696 11.1696 11.9969 11.9969 12.3648 12.3648 12.3734 12.3734 12.8960 12.8960 12.9063 12.9063 12.9752 12.9752 13.2309 13.2309 13.4456 13.4456 13.4540 13.4540 14.0966 14.0966 14.6190 14.6190 14.8586 14.8586 15.0004 15.0004 15.4849 15.4849 16.8072 16.8072 16.8709 16.8709 17.2453 17.2453 17.9537 17.9537 18.2083 18.2083 k = 0.1364 0.0787-0.0000 ( 3419 PWs) bands (ev): -11.7164 -11.7164 1.4405 1.4405 3.2049 3.2049 3.5042 3.5042 5.8741 5.8741 8.5002 8.5002 9.2813 9.2813 9.3515 9.3515 9.3859 9.3859 9.5161 9.5161 9.6396 9.6396 9.7324 9.7324 9.9368 9.9368 10.2035 10.2035 10.3335 10.3335 10.9689 10.9689 11.1611 11.1611 12.0085 12.0085 12.3623 12.3623 12.3734 12.3734 12.8947 12.8947 12.9004 12.9004 12.9745 12.9745 13.2267 13.2267 13.4386 13.4386 13.4502 13.4502 14.0900 14.0900 14.5404 14.5404 14.7975 14.7975 14.9038 14.9038 15.4781 15.4781 16.8191 16.8191 16.8760 16.8760 17.2133 17.2133 18.0552 18.0552 18.2656 18.2656 k = 0.1515 0.0875-0.0000 ( 3411 PWs) bands (ev): -11.7161 -11.7161 1.4377 1.4377 3.1962 3.1962 3.5012 3.5012 5.9159 5.9159 8.5355 8.5355 9.2905 9.2905 9.3500 9.3500 9.3735 9.3735 9.5229 9.5229 9.6575 9.6575 9.7311 9.7311 9.9314 9.9314 10.2194 10.2194 10.3291 10.3291 10.9473 10.9473 11.1532 11.1532 12.0201 12.0201 12.3596 12.3596 12.3735 12.3735 12.8903 12.8903 12.8942 12.8942 12.9765 12.9765 13.2215 13.2215 13.4303 13.4303 13.4463 13.4463 14.0828 14.0828 14.4571 14.4571 14.7348 14.7348 14.8056 14.8056 15.4719 15.4719 16.7598 16.7598 16.9233 16.9233 17.2100 17.2100 18.1571 18.1571 18.3255 18.3255 k = 0.1667 0.0962-0.0000 ( 3415 PWs) bands (ev): -11.7157 -11.7157 1.4347 1.4347 3.1871 3.1871 3.4981 3.4981 5.9612 5.9612 8.5730 8.5730 9.2971 9.2971 9.3261 9.3261 9.3799 9.3799 9.5324 9.5324 9.6669 9.6669 9.7452 9.7452 9.9266 9.9266 10.2346 10.2346 10.3256 10.3256 10.9228 10.9228 11.1460 11.1460 12.0315 12.0315 12.3568 12.3568 12.3738 12.3738 12.8790 12.8790 12.8919 12.8919 12.9805 12.9805 13.2154 13.2154 13.4210 13.4210 13.4421 13.4421 14.0750 14.0750 14.3706 14.3706 14.6695 14.6695 14.7085 14.7085 15.4663 15.4663 16.6873 16.6873 16.9533 16.9533 17.2375 17.2375 18.2555 18.2555 18.3872 18.3872 k = 0.1818 0.1050-0.0000 ( 3422 PWs) bands (ev): -11.7154 -11.7154 1.4315 1.4315 3.1776 3.1776 3.4951 3.4951 6.0097 6.0097 8.6122 8.6122 9.2786 9.2786 9.3169 9.3169 9.3915 9.3915 9.5442 9.5442 9.6694 9.6694 9.7728 9.7728 9.9222 9.9222 10.2461 10.2461 10.3262 10.3262 10.8960 10.8960 11.1395 11.1395 12.0421 12.0421 12.3540 12.3540 12.3746 12.3746 12.8651 12.8651 12.8896 12.8896 12.9858 12.9858 13.2083 13.2083 13.4105 13.4105 13.4377 13.4377 14.0666 14.0666 14.2821 14.2821 14.5923 14.5923 14.6231 14.6231 15.4613 15.4613 16.6069 16.6069 16.9698 16.9698 17.2873 17.2873 18.3454 18.3454 18.4513 18.4513 k = 0.1970 0.1137-0.0000 ( 3430 PWs) bands (ev): -11.7150 -11.7150 1.4282 1.4282 3.1679 3.1679 3.4920 3.4920 6.0612 6.0612 8.6522 8.6522 9.2381 9.2381 9.3242 9.3242 9.4049 9.4049 9.5579 9.5579 9.6700 9.6700 9.8081 9.8081 9.9180 9.9180 10.2503 10.2503 10.3346 10.3346 10.8673 10.8673 11.1335 11.1335 12.0514 12.0514 12.3512 12.3512 12.3759 12.3759 12.8495 12.8495 12.8869 12.8869 12.9915 12.9915 13.2003 13.2003 13.3988 13.3988 13.4329 13.4329 14.0576 14.0576 14.1928 14.1928 14.4981 14.4981 14.5559 14.5559 15.4567 15.4567 16.5222 16.5222 16.9802 16.9802 17.3487 17.3487 18.4221 18.4221 18.5191 18.5191 k = 0.2121 0.1225-0.0000 ( 3426 PWs) bands (ev): -11.7146 -11.7146 1.4249 1.4249 3.1581 3.1581 3.4890 3.4890 6.1155 6.1155 8.6916 8.6916 9.1936 9.1936 9.3326 9.3326 9.4197 9.4197 9.5731 9.5731 9.6712 9.6712 9.8479 9.8479 9.9140 9.9140 10.2467 10.2467 10.3517 10.3517 10.8370 10.8370 11.1280 11.1280 12.0586 12.0586 12.3486 12.3486 12.3780 12.3780 12.8320 12.8320 12.8837 12.8837 12.9971 12.9971 13.1915 13.1915 13.3858 13.3858 13.4279 13.4279 14.0475 14.0475 14.1039 14.1039 14.4016 14.4016 14.4941 14.4941 15.4525 15.4525 16.4361 16.4361 16.9887 16.9887 17.4147 17.4147 18.4839 18.4839 18.5896 18.5896 k = 0.2273 0.1312-0.0000 ( 3422 PWs) bands (ev): -11.7142 -11.7142 1.4214 1.4214 3.1482 3.1482 3.4860 3.4860 6.1723 6.1723 8.7284 8.7284 9.1492 9.1492 9.3406 9.3406 9.4359 9.4359 9.5891 9.5891 9.6739 9.6739 9.8902 9.8902 9.9106 9.9106 10.2384 10.2384 10.3751 10.3751 10.8058 10.8058 11.1230 11.1230 12.0631 12.0631 12.3461 12.3461 12.3811 12.3811 12.8128 12.8128 12.8803 12.8803 13.0022 13.0022 13.1820 13.1820 13.3711 13.3711 13.4227 13.4227 14.0138 14.0138 14.0382 14.0382 14.3076 14.3076 14.4348 14.4348 15.4488 15.4488 16.3505 16.3505 16.9974 16.9974 17.4815 17.4815 18.5335 18.5335 18.6588 18.6588 k = 0.2424 0.1400-0.0000 ( 3418 PWs) bands (ev): -11.7138 -11.7138 1.4180 1.4180 3.1385 3.1385 3.4832 3.4832 6.2313 6.2313 8.7588 8.7588 9.1093 9.1093 9.3480 9.3480 9.4533 9.4533 9.6051 9.6051 9.6785 9.6785 9.9053 9.9053 9.9363 9.9363 10.2282 10.2282 10.4024 10.4024 10.7740 10.7740 11.1185 11.1185 12.0641 12.0641 12.3436 12.3436 12.3857 12.3857 12.7917 12.7917 12.8764 12.8764 13.0062 13.0062 13.1717 13.1717 13.3546 13.3546 13.4172 13.4172 13.9288 13.9288 14.0232 14.0232 14.2191 14.2191 14.3781 14.3781 15.4453 15.4453 16.2665 16.2665 17.0069 17.0069 17.5473 17.5473 18.5736 18.5736 18.7233 18.7233 k = 0.2576 0.1487-0.0000 ( 3418 PWs) bands (ev): -11.7134 -11.7134 1.4145 1.4145 3.1290 3.1290 3.4804 3.4804 6.2923 6.2923 8.7766 8.7766 9.0805 9.0805 9.3546 9.3546 9.4717 9.4717 9.6197 9.6197 9.6859 9.6859 9.9015 9.9015 9.9814 9.9814 10.2184 10.2184 10.4324 10.4324 10.7423 10.7423 11.1146 11.1146 12.0610 12.0610 12.3410 12.3410 12.3919 12.3919 12.7685 12.7685 12.8723 12.8723 13.0085 13.0085 13.1605 13.1605 13.3358 13.3358 13.4117 13.4117 13.8461 13.8461 14.0030 14.0030 14.1404 14.1404 14.3246 14.3246 15.4422 15.4422 16.1852 16.1852 17.0174 17.0174 17.6108 17.6108 18.6056 18.6056 18.7821 18.7821 k = 0.2727 0.1575-0.0000 ( 3418 PWs) bands (ev): -11.7130 -11.7130 1.4111 1.4111 3.1197 3.1197 3.4778 3.4778 6.3551 6.3551 8.7744 8.7744 9.0703 9.0703 9.3606 9.3606 9.4908 9.4908 9.6317 9.6317 9.6969 9.6969 9.8975 9.8975 10.0251 10.0251 10.2117 10.2117 10.4644 10.4644 10.7114 10.7114 11.1113 11.1113 12.0533 12.0533 12.3378 12.3378 12.4002 12.4002 12.7431 12.7431 12.8681 12.8681 13.0087 13.0087 13.1482 13.1482 13.3145 13.3145 13.4062 13.4062 13.7676 13.7676 13.9695 13.9695 14.0796 14.0796 14.2752 14.2752 15.4394 15.4394 16.1070 16.1070 17.0290 17.0290 17.6715 17.6715 18.6305 18.6305 18.8350 18.8350 k = 0.2879 0.1662-0.0000 ( 3418 PWs) bands (ev): -11.7126 -11.7126 1.4078 1.4078 3.1108 3.1108 3.4752 3.4752 6.4192 6.4192 8.7502 8.7502 9.0806 9.0806 9.3660 9.3660 9.5100 9.5100 9.6407 9.6407 9.7117 9.7117 9.8934 9.8934 10.0637 10.0637 10.2114 10.2114 10.4982 10.4982 10.6824 10.6824 11.1086 11.1086 12.0406 12.0406 12.3336 12.3336 12.4105 12.4105 12.7154 12.7154 12.8637 12.8637 13.0061 13.0061 13.1346 13.1346 13.2905 13.2905 13.4008 13.4008 13.6944 13.6944 13.9193 13.9193 14.0409 14.0409 14.2310 14.2310 15.4368 15.4368 16.0325 16.0325 17.0413 17.0413 17.7289 17.7289 18.6487 18.6487 18.8827 18.8827 k = 0.3030 0.1750-0.0000 ( 3414 PWs) bands (ev): -11.7122 -11.7122 1.4045 1.4045 3.1022 3.1022 3.4728 3.4728 6.4845 6.4845 8.7093 8.7093 9.1059 9.1059 9.3709 9.3709 9.5286 9.5286 9.6476 9.6476 9.7293 9.7293 9.8893 9.8893 10.0917 10.0917 10.2221 10.2221 10.5333 10.5333 10.6566 10.6566 11.1066 11.1066 12.0230 12.0230 12.3278 12.3278 12.4228 12.4228 12.6854 12.6854 12.8593 12.8593 13.0002 13.0002 13.1192 13.1192 13.2643 13.2643 13.3952 13.3952 13.6280 13.6280 13.8627 13.8627 14.0140 14.0140 14.1933 14.1933 15.4345 15.4345 15.9621 15.9621 17.0543 17.0543 17.7827 17.7827 18.6610 18.6610 18.9255 18.9255 k = 0.3182 0.1837-0.0000 ( 3408 PWs) bands (ev): -11.7118 -11.7118 1.4014 1.4014 3.0942 3.0942 3.4706 3.4706 6.5506 6.5506 8.6587 8.6587 9.1393 9.1393 9.3754 9.3754 9.5454 9.5454 9.6540 9.6540 9.7487 9.7487 9.8854 9.8854 10.1069 10.1069 10.2443 10.2443 10.5694 10.5694 10.6365 10.6365 11.1054 11.1054 12.0004 12.0004 12.3199 12.3199 12.4369 12.4369 12.6531 12.6531 12.8549 12.8549 12.9905 12.9905 13.1015 13.1015 13.2371 13.2371 13.3882 13.3882 13.5701 13.5701 13.8095 13.8095 13.9892 13.9892 14.1630 14.1630 15.4324 15.4324 15.8960 15.8960 17.0676 17.0676 17.8328 17.8328 18.6680 18.6680 18.9640 18.9640 k = 0.3333 0.1925-0.0000 ( 3408 PWs) bands (ev): -11.7115 -11.7115 1.3985 1.3985 3.0866 3.0866 3.4685 3.4685 6.6170 6.6170 8.6028 8.6028 9.1759 9.1759 9.3794 9.3794 9.5586 9.5586 9.6620 9.6620 9.7686 9.7686 9.8820 9.8820 10.1136 10.1136 10.2704 10.2704 10.6055 10.6055 10.6265 10.6265 11.1049 11.1049 11.9731 11.9731 12.3092 12.3092 12.4524 12.4524 12.6189 12.6189 12.8503 12.8503 12.9768 12.9768 13.0814 13.0814 13.2104 13.2104 13.3775 13.3775 13.5234 13.5234 13.7634 13.7634 13.9628 13.9628 14.1406 14.1406 15.4305 15.4305 15.8344 15.8344 17.0811 17.0811 17.8789 17.8789 18.6705 18.6705 18.9984 18.9984 k = 0.3485 0.2012-0.0000 ( 3412 PWs) bands (ev): -11.7111 -11.7111 1.3957 1.3957 3.0796 3.0796 3.4665 3.4665 6.6833 6.6833 8.5444 8.5444 9.2131 9.2131 9.3831 9.3831 9.5665 9.5665 9.6735 9.6735 9.7884 9.7884 9.8792 9.8792 10.1172 10.1172 10.2908 10.2908 10.6241 10.6241 10.6478 10.6478 11.1052 11.1052 11.9413 11.9413 12.2949 12.2949 12.4690 12.4690 12.5835 12.5835 12.8451 12.8451 12.9596 12.9596 13.0591 13.0591 13.1856 13.1856 13.3601 13.3601 13.4914 13.4914 13.7253 13.7253 13.9343 13.9343 14.1252 14.1252 15.4288 15.4288 15.7775 15.7775 17.0946 17.0946 17.9211 17.9211 18.6692 18.6692 19.0291 19.0291 k = 0.3636 0.2099-0.0000 ( 3412 PWs) bands (ev): -11.7108 -11.7108 1.3931 1.3931 3.0732 3.0732 3.4647 3.4647 6.7490 6.7490 8.4851 8.4851 9.2490 9.2490 9.3865 9.3865 9.5684 9.5684 9.6894 9.6894 9.8074 9.8074 9.8774 9.8774 10.1208 10.1208 10.2992 10.2992 10.6421 10.6421 10.6864 10.6864 11.1063 11.1063 11.9052 11.9052 12.2765 12.2765 12.4862 12.4862 12.5480 12.5480 12.8386 12.8386 12.9402 12.9402 13.0355 13.0355 13.1636 13.1636 13.3355 13.3355 13.4744 13.4744 13.6950 13.6950 13.9046 13.9046 14.1153 14.1153 15.4274 15.4274 15.7255 15.7255 17.1077 17.1077 17.9592 17.9592 18.6649 18.6649 19.0563 19.0563 k = 0.3788 0.2187-0.0000 ( 3404 PWs) bands (ev): -11.7105 -11.7105 1.3907 1.3907 3.0674 3.0674 3.4631 3.4631 6.8135 6.8135 8.4261 8.4261 9.2827 9.2827 9.3896 9.3896 9.5652 9.5652 9.7088 9.7088 9.8250 9.8250 9.8768 9.8768 10.1255 10.1255 10.2949 10.2949 10.6733 10.6733 10.7268 10.7268 11.1082 11.1082 11.8653 11.8653 12.2533 12.2533 12.5014 12.5014 12.5164 12.5164 12.8293 12.8293 12.9205 12.9205 13.0117 13.0117 13.1445 13.1445 13.3077 13.3077 13.4683 13.4683 13.6718 13.6718 13.8748 13.8748 14.1094 14.1094 15.4261 15.4261 15.6784 15.6784 17.1202 17.1202 17.9932 17.9932 18.6585 18.6585 19.0801 19.0801 k = 0.3939 0.2274-0.0000 ( 3402 PWs) bands (ev): -11.7103 -11.7103 1.3886 1.3886 3.0622 3.0622 3.4617 3.4617 6.8758 6.8758 8.3685 8.3685 9.3134 9.3134 9.3925 9.3925 9.5585 9.5585 9.7303 9.7303 9.8405 9.8405 9.8779 9.8779 10.1315 10.1315 10.2809 10.2809 10.7133 10.7133 10.7689 10.7689 11.1111 11.1111 11.8219 11.8219 12.2255 12.2255 12.4799 12.4799 12.5248 12.5248 12.8158 12.8158 12.9026 12.9026 12.9897 12.9897 13.1282 13.1282 13.2809 13.2809 13.4683 13.4683 13.6548 13.6548 13.8457 13.8457 14.1062 14.1062 15.4251 15.4251 15.6363 15.6363 17.1319 17.1319 18.0231 18.0231 18.6507 18.6507 19.1008 19.1008 k = 0.4091 0.2362-0.0000 ( 3402 PWs) bands (ev): -11.7100 -11.7100 1.3867 1.3867 3.0577 3.0577 3.4604 3.4604 6.9351 6.9351 8.3134 8.3134 9.3407 9.3407 9.3952 9.3952 9.5496 9.5496 9.7525 9.7525 9.8531 9.8531 9.8812 9.8812 10.1386 10.1386 10.2611 10.2611 10.7560 10.7560 10.8127 10.8127 11.1156 11.1156 11.7754 11.7754 12.1940 12.1940 12.4526 12.4526 12.5434 12.5434 12.7979 12.7979 12.8866 12.8866 12.9716 12.9716 13.1145 13.1145 13.2569 13.2569 13.4711 13.4711 13.6435 13.6435 13.8179 13.8179 14.1049 14.1049 15.4244 15.4244 15.5994 15.5994 17.1426 17.1426 18.0489 18.0489 18.6422 18.6422 19.1185 19.1185 k = 0.4242 0.2449-0.0000 ( 3402 PWs) bands (ev): -11.7098 -11.7098 1.3851 1.3851 3.0539 3.0539 3.4594 3.4594 6.9901 6.9901 8.2621 8.2621 9.3641 9.3641 9.3980 9.3980 9.5397 9.5397 9.7741 9.7741 9.8625 9.8625 9.8871 9.8871 10.1463 10.1463 10.2387 10.2387 10.7970 10.7970 10.8569 10.8569 11.1229 11.1229 11.7266 11.7266 12.1608 12.1608 12.4295 12.4295 12.5626 12.5626 12.7767 12.7767 12.8710 12.8710 12.9592 12.9592 13.1032 13.1032 13.2364 13.2364 13.4750 13.4750 13.6372 13.6372 13.7917 13.7917 14.1048 14.1048 15.4238 15.4238 15.5678 15.5678 17.1520 17.1520 18.0707 18.0707 18.6338 18.6338 19.1332 19.1332 k = 0.4394 0.2537-0.0000 ( 3402 PWs) bands (ev): -11.7096 -11.7096 1.3837 1.3837 3.0507 3.0507 3.4585 3.4585 7.0393 7.0393 8.2159 8.2159 9.3827 9.3827 9.4016 9.4016 9.5296 9.5296 9.7936 9.7936 9.8696 9.8696 9.8944 9.8944 10.1538 10.1538 10.2158 10.2158 10.8343 10.8343 10.8974 10.8974 11.1348 11.1348 11.6767 11.6767 12.1284 12.1284 12.4110 12.4110 12.5822 12.5822 12.7539 12.7539 12.8555 12.8555 12.9527 12.9527 13.0941 13.0941 13.2195 13.2195 13.4790 13.4790 13.6354 13.6354 13.7676 13.7676 14.1053 14.1053 15.4235 15.4235 15.5416 15.5416 17.1600 17.1600 18.0884 18.0884 18.6261 18.6261 19.1451 19.1451 k = 0.4545 0.2624-0.0000 ( 3406 PWs) bands (ev): -11.7095 -11.7095 1.3827 1.3827 3.0483 3.0483 3.4578 3.4578 7.0807 7.0807 8.1769 8.1769 9.3936 9.3936 9.4089 9.4089 9.5201 9.5201 9.8094 9.8094 9.8763 9.8763 9.9014 9.9014 10.1604 10.1604 10.1948 10.1948 10.8671 10.8671 10.9283 10.9283 11.1535 11.1535 11.6276 11.6276 12.0998 12.0998 12.3968 12.3968 12.6021 12.6021 12.7309 12.7309 12.8411 12.8411 12.9505 12.9505 13.0872 13.0872 13.2061 13.2061 13.4823 13.4823 13.6375 13.6375 13.7458 13.7458 14.1061 14.1061 15.4234 15.4234 15.5209 15.5209 17.1664 17.1664 18.1021 18.1021 18.6195 18.6195 19.1542 19.1542 k = 0.4697 0.2712-0.0000 ( 3402 PWs) bands (ev): -11.7094 -11.7094 1.3819 1.3819 3.0465 3.0465 3.4573 3.4573 7.1125 7.1125 8.1469 8.1469 9.3974 9.3974 9.4189 9.4189 9.5120 9.5120 9.8205 9.8205 9.8831 9.8831 9.9069 9.9069 10.1650 10.1650 10.1781 10.1781 10.8951 10.8951 10.9456 10.9456 11.1777 11.1777 11.5831 11.5831 12.0773 12.0773 12.3869 12.3869 12.6221 12.6221 12.7083 12.7083 12.8295 12.8295 12.9504 12.9504 13.0824 13.0824 13.1963 13.1963 13.4847 13.4847 13.6425 13.6425 13.7272 13.7272 14.1069 14.1069 15.4235 15.4235 15.5059 15.5059 17.1710 17.1710 18.1119 18.1119 18.6145 18.6145 19.1607 19.1607 k = 0.4848 0.2799-0.0000 ( 3406 PWs) bands (ev): -11.7094 -11.7094 1.3815 1.3815 3.0455 3.0455 3.4570 3.4570 7.1326 7.1326 8.1279 8.1279 9.3988 9.3988 9.4264 9.4264 9.5064 9.5064 9.8267 9.8267 9.8887 9.8887 9.9104 9.9104 10.1629 10.1629 10.1719 10.1719 10.9166 10.9166 10.9503 10.9503 11.2003 11.2003 11.5500 11.5500 12.0631 12.0631 12.3810 12.3810 12.6421 12.6421 12.6867 12.6867 12.8219 12.8219 12.9510 12.9510 13.0795 13.0795 13.1903 13.1903 13.4861 13.4861 13.6482 13.6482 13.7135 13.7135 14.1075 14.1075 15.4237 15.4237 15.4967 15.4967 17.1739 17.1739 18.1178 18.1178 18.6113 18.6113 19.1646 19.1646 k = 0.5000 0.2887-0.0000 ( 3408 PWs) bands (ev): -11.7093 -11.7093 1.3813 1.3813 3.0451 3.0451 3.4569 3.4569 7.1395 7.1395 8.1214 8.1214 9.3992 9.3992 9.4292 9.4292 9.5043 9.5043 9.8287 9.8287 9.8909 9.8909 9.9116 9.9116 10.1596 10.1596 10.1723 10.1723 10.9263 10.9263 10.9491 10.9491 11.2099 11.2099 11.5373 11.5373 12.0582 12.0582 12.3791 12.3791 12.6574 12.6574 12.6709 12.6709 12.8193 12.8193 12.9513 12.9513 13.0785 13.0785 13.1883 13.1883 13.4866 13.4866 13.6510 13.6510 13.7081 13.7081 14.1077 14.1077 15.4238 15.4238 15.4937 15.4937 17.1748 17.1748 18.1197 18.1197 18.6103 18.6103 19.1659 19.1659 k = 0.5000 0.2887-0.0000 ( 3408 PWs) bands (ev): -11.7093 -11.7093 1.3813 1.3813 3.0451 3.0451 3.4569 3.4569 7.1395 7.1395 8.1214 8.1214 9.3992 9.3992 9.4292 9.4292 9.5043 9.5043 9.8287 9.8287 9.8909 9.8909 9.9116 9.9116 10.1596 10.1596 10.1723 10.1723 10.9263 10.9263 10.9491 10.9491 11.2099 11.2099 11.5373 11.5373 12.0582 12.0582 12.3791 12.3791 12.6574 12.6574 12.6709 12.6709 12.8193 12.8193 12.9513 12.9513 13.0785 13.0785 13.1883 13.1883 13.4866 13.4866 13.6510 13.6510 13.7081 13.7081 14.1077 14.1077 15.4238 15.4238 15.4937 15.4937 17.1748 17.1748 18.1197 18.1197 18.6103 18.6103 19.1659 19.1659 k = 0.4917 0.3031-0.0000 ( 3402 PWs) bands (ev): -11.7093 -11.7093 1.3813 1.3813 3.0451 3.0451 3.4567 3.4567 7.1410 7.1410 8.1208 8.1208 9.3996 9.3996 9.4285 9.4285 9.5042 9.5042 9.8270 9.8270 9.8878 9.8878 9.9158 9.9158 10.1583 10.1583 10.1737 10.1737 10.9211 10.9211 10.9560 10.9560 11.2110 11.2110 11.5387 11.5387 12.0571 12.0571 12.3796 12.3796 12.6306 12.6306 12.6949 12.6949 12.8191 12.8191 12.9520 12.9520 13.0754 13.0754 13.1929 13.1929 13.4862 13.4862 13.6458 13.6458 13.7135 13.7135 14.1074 14.1074 15.4229 15.4229 15.4865 15.4865 17.1795 17.1795 18.1224 18.1224 18.6083 18.6083 19.1620 19.1620 k = 0.4833 0.3175-0.0000 ( 3410 PWs) bands (ev): -11.7093 -11.7093 1.3813 1.3813 3.0451 3.0451 3.4561 3.4561 7.1456 7.1456 8.1189 8.1189 9.4006 9.4006 9.4265 9.4265 9.5039 9.5039 9.8220 9.8220 9.8819 9.8819 9.9247 9.9247 10.1556 10.1556 10.1770 10.1770 10.9123 10.9123 10.9699 10.9699 11.2144 11.2144 11.5428 11.5428 12.0536 12.0536 12.3806 12.3806 12.5967 12.5967 12.7206 12.7206 12.8186 12.8186 12.9540 12.9540 13.0676 13.0676 13.2048 13.2048 13.4854 13.4854 13.6340 13.6340 13.7263 13.7263 14.1064 14.1064 15.4195 15.4195 15.4661 15.4661 17.1931 17.1931 18.1305 18.1305 18.6024 18.6024 19.1505 19.1505 k = 0.4750 0.3320-0.0000 ( 3404 PWs) bands (ev): -11.7093 -11.7093 1.3813 1.3813 3.0451 3.0451 3.4551 3.4551 7.1532 7.1532 8.1156 8.1156 9.4018 9.4018 9.4236 9.4236 9.5035 9.5035 9.8142 9.8142 9.8759 9.8759 9.9351 9.9351 10.1527 10.1527 10.1807 10.1807 10.9041 10.9041 10.9866 10.9866 11.2199 11.2199 11.5497 11.5497 12.0481 12.0481 12.3805 12.3805 12.5632 12.5632 12.7411 12.7411 12.8190 12.8190 12.9575 12.9575 13.0576 13.0576 13.2208 13.2208 13.4843 13.4843 13.6198 13.6198 13.7422 13.7422 14.1049 14.1049 15.4067 15.4067 15.4404 15.4404 17.2148 17.2148 18.1439 18.1439 18.5929 18.5929 19.1318 19.1318 k = 0.4667 0.3464-0.0000 ( 3400 PWs) bands (ev): -11.7093 -11.7093 1.3813 1.3813 3.0452 3.0452 3.4538 3.4538 7.1639 7.1639 8.1108 8.1108 9.4019 9.4019 9.4214 9.4214 9.5030 9.5030 9.8043 9.8043 9.8703 9.8703 9.9462 9.9462 10.1503 10.1503 10.1845 10.1845 10.8973 10.8973 11.0053 11.0053 11.2276 11.2276 11.5590 11.5590 12.0409 12.0409 12.3760 12.3760 12.5338 12.5338 12.7542 12.7542 12.8222 12.8222 12.9622 12.9622 13.0474 13.0474 13.2378 13.2378 13.4836 13.4836 13.6051 13.6051 13.7595 13.7595 14.1029 14.1029 15.3682 15.3682 15.4276 15.4276 17.2432 17.2432 18.1624 18.1624 18.5800 18.5800 19.1066 19.1066 k = 0.4583 0.3608-0.0000 ( 3400 PWs) bands (ev): -11.7092 -11.7092 1.3813 1.3813 3.0452 3.0452 3.4522 3.4522 7.1775 7.1775 8.1045 8.1045 9.3989 9.3989 9.4219 9.4219 9.5025 9.5025 9.7929 9.7929 9.8647 9.8647 9.9574 9.9574 10.1485 10.1485 10.1879 10.1879 10.8922 10.8922 11.0258 11.0258 11.2374 11.2374 11.5706 11.5706 12.0322 12.0322 12.3618 12.3618 12.5138 12.5138 12.7588 12.7588 12.8294 12.8294 12.9681 12.9681 13.0380 13.0380 13.2534 13.2534 13.4840 13.4840 13.5911 13.5911 13.7775 13.7775 14.1004 14.1004 15.3116 15.3116 15.4221 15.4221 17.2766 17.2766 18.1860 18.1860 18.5643 18.5643 19.0758 19.0758 k = 0.4500 0.3753-0.0000 ( 3404 PWs) bands (ev): -11.7092 -11.7092 1.3813 1.3813 3.0452 3.0452 3.4502 3.4502 7.1941 7.1941 8.0964 8.0964 9.3923 9.3923 9.4256 9.4256 9.5020 9.5020 9.7805 9.7805 9.8592 9.8592 9.9685 9.9685 10.1475 10.1475 10.1910 10.1910 10.8886 10.8886 11.0478 11.0478 11.2492 11.2492 11.5840 11.5840 12.0224 12.0224 12.3347 12.3347 12.5065 12.5065 12.7564 12.7564 12.8394 12.8394 12.9746 12.9746 13.0298 13.0298 13.2653 13.2653 13.4864 13.4864 13.5784 13.5784 13.7960 13.7960 14.0976 14.0976 15.2451 15.2451 15.4176 15.4176 17.3136 17.3136 18.2143 18.2143 18.5465 18.5465 19.0402 19.0402 k = 0.4417 0.3897-0.0000 ( 3400 PWs) bands (ev): -11.7091 -11.7091 1.3813 1.3813 3.0452 3.0452 3.4481 3.4481 7.2136 7.2136 8.0864 8.0864 9.3836 9.3836 9.4315 9.4315 9.5016 9.5016 9.7675 9.7675 9.8535 9.8535 9.9795 9.9795 10.1475 10.1475 10.1935 10.1935 10.8867 10.8867 11.0712 11.0712 11.2632 11.2632 11.5987 11.5987 12.0119 12.0119 12.2968 12.2968 12.5099 12.5099 12.7498 12.7498 12.8501 12.8501 12.9808 12.9808 13.0232 13.0232 13.2718 13.2718 13.4913 13.4913 13.5680 13.5680 13.8149 13.8149 14.0946 14.0946 15.1717 15.1717 15.4133 15.4133 17.3527 17.3527 18.2471 18.2471 18.5274 18.5274 19.0010 19.0010 k = 0.4333 0.4041-0.0000 ( 3396 PWs) bands (ev): -11.7090 -11.7090 1.3812 1.3812 3.0451 3.0451 3.4458 3.4458 7.2359 7.2359 8.0742 8.0742 9.3736 9.3736 9.4387 9.4387 9.5013 9.5013 9.7541 9.7541 9.8477 9.8477 9.9901 9.9901 10.1482 10.1482 10.1956 10.1956 10.8864 10.8864 11.0960 11.0960 11.2794 11.2794 11.6141 11.6141 12.0012 12.0012 12.2521 12.2521 12.5200 12.5200 12.7407 12.7407 12.8606 12.8606 12.9855 12.9855 13.0188 13.0188 13.2719 13.2719 13.4977 13.4977 13.5616 13.5616 13.8340 13.8340 14.0915 14.0915 15.0936 15.0936 15.4089 15.4089 17.3926 17.3926 18.2839 18.2839 18.5081 18.5081 18.9590 18.9590 k = 0.4250 0.4186-0.0000 ( 3390 PWs) bands (ev): -11.7089 -11.7089 1.3812 1.3812 3.0451 3.0451 3.4433 3.4433 7.2609 7.2609 8.0597 8.0597 9.3629 9.3629 9.4470 9.4470 9.5012 9.5012 9.7404 9.7404 9.8418 9.8418 10.0004 10.0004 10.1496 10.1496 10.1973 10.1973 10.8877 10.8877 11.1219 11.1219 11.2978 11.2978 11.6294 11.6294 11.9907 11.9907 12.2035 12.2035 12.5341 12.5341 12.7300 12.7300 12.8704 12.8704 12.9870 12.9870 13.0173 13.0173 13.2656 13.2656 13.5030 13.5030 13.5617 13.5617 13.8533 13.8533 14.0887 14.0887 15.0127 15.0127 15.4044 15.4044 17.4323 17.4323 18.3234 18.3234 18.4902 18.4902 18.9152 18.9152 k = 0.4167 0.4330-0.0000 ( 3390 PWs) bands (ev): -11.7089 -11.7089 1.3811 1.3811 3.0450 3.0450 3.4408 3.4408 7.2887 7.2887 8.0426 8.0426 9.3519 9.3519 9.4560 9.4560 9.5015 9.5015 9.7266 9.7266 9.8360 9.8360 10.0101 10.0101 10.1516 10.1516 10.1987 10.1987 10.8904 10.8904 11.1488 11.1488 11.3184 11.3184 11.6435 11.6435 11.9809 11.9809 12.1528 12.1528 12.5503 12.5503 12.7184 12.7184 12.8797 12.8797 12.9849 12.9849 13.0187 13.0187 13.2535 13.2535 13.5050 13.5050 13.5696 13.5696 13.8727 13.8727 14.0863 14.0863 14.9305 14.9305 15.4000 15.4000 17.4707 17.4707 18.3625 18.3625 18.4776 18.4776 18.8704 18.8704 k = 0.4083 0.4474-0.0000 ( 3390 PWs) bands (ev): -11.7088 -11.7088 1.3810 1.3810 3.0449 3.0449 3.4384 3.4384 7.3190 7.3190 8.0227 8.0227 9.3411 9.3411 9.4655 9.4655 9.5023 9.5023 9.7128 9.7128 9.8303 9.8303 10.0193 10.0193 10.1537 10.1537 10.2001 10.2001 10.8945 10.8945 11.1766 11.1766 11.3414 11.3414 11.6552 11.6552 11.9724 11.9724 12.1012 12.1012 12.5677 12.5677 12.7064 12.7064 12.8887 12.8887 12.9801 12.9801 13.0214 13.0214 13.2367 13.2367 13.5042 13.5042 13.5837 13.5837 13.8921 13.8921 14.0846 14.0846 14.8485 14.8485 15.3956 15.3956 17.5071 17.5071 18.3915 18.3915 18.4808 18.4808 18.8255 18.8255 k = 0.4000 0.4619-0.0000 ( 3396 PWs) bands (ev): -11.7087 -11.7087 1.3809 1.3809 3.0447 3.0447 3.4360 3.4360 7.3518 7.3518 7.9999 7.9999 9.3307 9.3307 9.4747 9.4747 9.5041 9.5041 9.6991 9.6991 9.8249 9.8249 10.0278 10.0278 10.1556 10.1556 10.2016 10.2016 10.8998 10.8998 11.2051 11.2051 11.3664 11.3664 11.6634 11.6634 11.9656 11.9656 12.0499 12.0499 12.5856 12.5856 12.6944 12.6944 12.8975 12.8975 12.9734 12.9734 13.0242 13.0242 13.2163 13.2163 13.5026 13.5026 13.6008 13.6008 13.9114 13.9114 14.0840 14.0840 14.7681 14.7681 15.3914 15.3914 17.5408 17.5408 18.3983 18.3983 18.5124 18.5124 18.7810 18.7810 k = 0.3917 0.4763-0.0000 ( 3392 PWs) bands (ev): -11.7086 -11.7086 1.3808 1.3808 3.0445 3.0445 3.4337 3.4337 7.3870 7.3870 7.9740 7.9740 9.3210 9.3210 9.4826 9.4826 9.5080 9.5080 9.6856 9.6856 9.8199 9.8199 10.0356 10.0356 10.1569 10.1569 10.2035 10.2035 10.9062 10.9062 11.2342 11.2342 11.3932 11.3932 11.6671 11.6671 11.9592 11.9592 12.0011 12.0011 12.6031 12.6031 12.6829 12.6829 12.9063 12.9063 12.9649 12.9649 13.0269 13.0269 13.1934 13.1934 13.5015 13.5015 13.6187 13.6187 13.9304 13.9304 14.0848 14.0848 14.6905 14.6905 15.3875 15.3875 17.5712 17.5712 18.3932 18.3932 18.5626 18.5626 18.7377 18.7377 k = 0.3833 0.4907-0.0000 ( 3392 PWs) bands (ev): -11.7086 -11.7086 1.3807 1.3807 3.0443 3.0443 3.4316 3.4316 7.4244 7.4244 7.9450 7.9450 9.3123 9.3123 9.4880 9.4880 9.5148 9.5148 9.6724 9.6724 9.8154 9.8154 10.0425 10.0425 10.1574 10.1574 10.2060 10.2060 10.9135 10.9135 11.2636 11.2636 11.4212 11.4212 11.6659 11.6659 11.9389 11.9389 11.9701 11.9701 12.6196 12.6196 12.6727 12.6727 12.9153 12.9153 12.9547 12.9547 13.0295 13.0295 13.1690 13.1690 13.5010 13.5010 13.6358 13.6358 13.9488 13.9488 14.0871 14.0871 14.6171 14.6171 15.3839 15.3839 17.5978 17.5978 18.3869 18.3869 18.6212 18.6212 18.6961 18.6961 k = 0.3750 0.5052-0.0000 ( 3392 PWs) bands (ev): -11.7085 -11.7085 1.3806 1.3806 3.0441 3.0441 3.4298 3.4298 7.4639 7.4639 7.9128 7.9128 9.3048 9.3048 9.4911 9.4911 9.5243 9.5243 9.6596 9.6596 9.8116 9.8116 10.0486 10.0486 10.1570 10.1570 10.2089 10.2089 10.9216 10.9216 11.2929 11.2929 11.4494 11.4494 11.6601 11.6601 11.8964 11.8964 11.9656 11.9656 12.6336 12.6336 12.6650 12.6650 12.9243 12.9243 12.9430 12.9430 13.0321 13.0321 13.1442 13.1442 13.5013 13.5013 13.6514 13.6514 13.9665 13.9665 14.0909 14.0909 14.5492 14.5492 15.3808 15.3808 17.6202 17.6202 18.3833 18.3833 18.6567 18.6567 18.6846 18.6846 k = 0.3667 0.5196-0.0000 ( 3408 PWs) bands (ev): -11.7084 -11.7084 1.3804 1.3804 3.0438 3.0438 3.4282 3.4282 7.5052 7.5052 7.8775 7.8775 9.2986 9.2986 9.4929 9.4929 9.5350 9.5350 9.6475 9.6475 9.8084 9.8084 10.0537 10.0537 10.1560 10.1560 10.2119 10.2119 10.9299 10.9299 11.3215 11.3215 11.4766 11.4766 11.6508 11.6508 11.8540 11.8540 11.9657 11.9657 12.6424 12.6424 12.6622 12.6622 12.9285 12.9285 12.9353 12.9353 13.0347 13.0347 13.1202 13.1202 13.5020 13.5020 13.6646 13.6646 13.9830 13.9830 14.0959 14.0959 14.4886 14.4886 15.3781 15.3781 17.6382 17.6382 18.3834 18.3834 18.6204 18.6204 18.7514 18.7514 k = 0.3583 0.5340-0.0000 ( 3408 PWs) bands (ev): -11.7084 -11.7084 1.3803 1.3803 3.0436 3.0436 3.4270 3.4270 7.5480 7.5480 7.8395 7.8395 9.2938 9.2938 9.4940 9.4940 9.5458 9.5458 9.6363 9.6363 9.8059 9.8059 10.0578 10.0578 10.1545 10.1545 10.2148 10.2148 10.9381 10.9381 11.3480 11.3480 11.5007 11.5007 11.6399 11.6399 11.8167 11.8167 11.9660 11.9660 12.6447 12.6447 12.6653 12.6653 12.9169 12.9169 12.9437 12.9437 13.0372 13.0372 13.0984 13.0984 13.5030 13.5030 13.6751 13.6751 13.9982 13.9982 14.1010 14.1010 14.4373 14.4373 15.3760 15.3760 17.6516 17.6516 18.3876 18.3876 18.5879 18.5879 18.8204 18.8204 k = 0.3500 0.5485-0.0000 ( 3400 PWs) bands (ev): -11.7083 -11.7083 1.3802 1.3802 3.0434 3.0434 3.4261 3.4261 7.5914 7.5914 7.7994 7.7994 9.2905 9.2905 9.4947 9.4947 9.5555 9.5555 9.6267 9.6267 9.8042 9.8042 10.0608 10.0608 10.1530 10.1530 10.2172 10.2172 10.9454 10.9454 11.3706 11.3706 11.5190 11.5190 11.6301 11.6301 11.7877 11.7877 11.9655 11.9655 12.6460 12.6460 12.6679 12.6679 12.9064 12.9064 12.9522 12.9522 13.0390 13.0390 13.0806 13.0806 13.5039 13.5039 13.6826 13.6826 14.0113 14.0113 14.1047 14.1047 14.3980 14.3980 15.3745 15.3745 17.6608 17.6608 18.3948 18.3948 18.5605 18.5605 18.8899 18.8899 k = 0.3417 0.5629-0.0000 ( 3390 PWs) bands (ev): -11.7083 -11.7083 1.3802 1.3802 3.0433 3.0433 3.4255 3.4255 7.6326 7.6326 7.7602 7.7602 9.2886 9.2886 9.4951 9.4951 9.5627 9.5627 9.6198 9.6198 9.8032 9.8032 10.0626 10.0626 10.1519 10.1519 10.2188 10.2188 10.9507 10.9507 11.3864 11.3864 11.5292 11.5292 11.6240 11.6240 11.7695 11.7695 11.9641 11.9641 12.6500 12.6500 12.6661 12.6661 12.8996 12.8996 12.9589 12.9589 13.0389 13.0389 13.0694 13.0694 13.5046 13.5046 13.6870 13.6870 14.0212 14.0212 14.1057 14.1057 14.3736 14.3736 15.3736 15.3736 17.6659 17.6659 18.4025 18.4025 18.5409 18.5409 18.9544 18.9544 k = 0.3333 0.5774-0.0000 ( 3390 PWs) bands (ev): -11.7083 -11.7083 1.3801 1.3801 3.0432 3.0432 3.4254 3.4254 7.6559 7.6559 7.7376 7.7376 9.2880 9.2880 9.4953 9.4953 9.5653 9.5653 9.6172 9.6172 9.8028 9.8028 10.0633 10.0633 10.1514 10.1514 10.2194 10.2194 10.9528 10.9528 11.3921 11.3921 11.5317 11.5317 11.6223 11.6223 11.7637 11.7637 11.9632 11.9632 12.6557 12.6557 12.6609 12.6609 12.8973 12.8973 12.9616 12.9616 13.0378 13.0378 13.0662 13.0662 13.5049 13.5049 13.6884 13.6884 14.0252 14.0252 14.1052 14.1052 14.3656 14.3656 15.3733 15.3733 17.6675 17.6675 18.4062 18.4062 18.5333 18.5333 18.9887 18.9887 k = 0.3333 0.5774-0.0000 ( 3390 PWs) bands (ev): -11.7083 -11.7083 1.3801 1.3801 3.0432 3.0432 3.4254 3.4254 7.6559 7.6559 7.7376 7.7376 9.2880 9.2880 9.4953 9.4953 9.5653 9.5653 9.6172 9.6172 9.8028 9.8028 10.0633 10.0633 10.1514 10.1514 10.2194 10.2194 10.9528 10.9528 11.3921 11.3921 11.5317 11.5317 11.6223 11.6223 11.7637 11.7637 11.9632 11.9632 12.6557 12.6557 12.6609 12.6609 12.8973 12.8973 12.9616 12.9616 13.0378 13.0378 13.0662 13.0662 13.5049 13.5049 13.6884 13.6884 14.0252 14.0252 14.1052 14.1052 14.3656 14.3656 15.3733 15.3733 17.6675 17.6675 18.4062 18.4062 18.5333 18.5333 18.9887 18.9887 k = 0.3248 0.5625-0.0000 ( 3390 PWs) bands (ev): -11.7083 -11.7083 1.3802 1.3802 3.0433 3.0433 3.4255 3.4255 7.6299 7.6299 7.7629 7.7629 9.2885 9.2885 9.4951 9.4951 9.5628 9.5628 9.6195 9.6195 9.8031 9.8031 10.0626 10.0626 10.1520 10.1520 10.2188 10.2188 10.9501 10.9501 11.3860 11.3860 11.5307 11.5307 11.6227 11.6227 11.7691 11.7691 11.9651 11.9651 12.6462 12.6462 12.6705 12.6705 12.8992 12.8992 12.9588 12.9588 13.0405 13.0405 13.0682 13.0682 13.5046 13.5046 13.6870 13.6870 14.0203 14.0203 14.1071 14.1071 14.3732 14.3732 15.3736 15.3736 17.6660 17.6660 18.4017 18.4017 18.5416 18.5416 18.9532 18.9532 k = 0.3162 0.5477-0.0000 ( 3398 PWs) bands (ev): -11.7083 -11.7083 1.3803 1.3803 3.0435 3.0435 3.4261 3.4261 7.5809 7.5809 7.8100 7.8100 9.2899 9.2899 9.4946 9.4946 9.5569 9.5569 9.6247 9.6247 9.8040 9.8040 10.0604 10.0604 10.1542 10.1542 10.2169 10.2169 10.9410 10.9410 11.3692 11.3692 11.5302 11.5302 11.6203 11.6203 11.7841 11.7841 11.9728 11.9728 12.6322 12.6322 12.6857 12.6857 12.9027 12.9027 12.9528 12.9528 13.0489 13.0489 13.0725 13.0725 13.5036 13.5036 13.6831 13.6831 14.0074 14.0074 14.1138 14.1138 14.3937 14.3937 15.3746 15.3746 17.6620 17.6620 18.3900 18.3900 18.5640 18.5640 18.8877 18.8877 k = 0.3077 0.5329-0.0000 ( 3392 PWs) bands (ev): -11.7084 -11.7084 1.3805 1.3805 3.0440 3.0440 3.4270 3.4270 7.5254 7.5254 7.8624 7.8624 9.2916 9.2916 9.4937 9.4937 9.5497 9.5497 9.6305 9.6305 9.8052 9.8052 10.0566 10.0566 10.1585 10.1585 10.2137 10.2137 10.9246 10.9246 11.3449 11.3449 11.5301 11.5301 11.6126 11.6126 11.8077 11.8077 11.9878 11.9878 12.6183 12.6183 12.7039 12.7039 12.9032 12.9032 12.9498 12.9498 13.0612 13.0612 13.0781 13.0781 13.5019 13.5019 13.6770 13.6770 13.9906 13.9906 14.1237 14.1237 14.4240 14.4240 15.3761 15.3761 17.6561 17.6561 18.3749 18.3749 18.5950 18.5950 18.8190 18.8190 k = 0.2991 0.5181-0.0000 ( 3397 PWs) bands (ev): -11.7085 -11.7085 1.3808 1.3808 3.0447 3.0447 3.4283 3.4283 7.4664 7.4664 7.9172 7.9172 9.2931 9.2931 9.4923 9.4923 9.5425 9.5425 9.6357 9.6357 9.8068 9.8068 10.0509 10.0509 10.1651 10.1651 10.2094 10.2094 10.9006 10.9006 11.3164 11.3164 11.5221 11.5221 11.6074 11.6074 11.8386 11.8386 12.0094 12.0094 12.6062 12.6062 12.7241 12.7241 12.8970 12.8970 12.9544 12.9544 13.0756 13.0756 13.0847 13.0847 13.4995 13.4995 13.6693 13.6693 13.9739 13.9739 14.1351 14.1351 14.4618 14.4618 15.3781 15.3781 17.6487 17.6487 18.3589 18.3589 18.6269 18.6269 18.7562 18.7562 k = 0.2906 0.5033-0.0000 ( 3405 PWs) bands (ev): -11.7086 -11.7086 1.3812 1.3812 3.0457 3.0457 3.4299 3.4299 7.4050 7.4050 7.9737 7.9737 9.2936 9.2936 9.4905 9.4905 9.5364 9.5364 9.6394 9.6394 9.8086 9.8086 10.0432 10.0432 10.1745 10.1745 10.2042 10.2042 10.8697 10.8697 11.2860 11.2860 11.4942 11.4942 11.6181 11.6181 11.8746 11.8746 12.0359 12.0359 12.5971 12.5971 12.7451 12.7451 12.8868 12.8868 12.9649 12.9649 13.0891 13.0891 13.0941 13.0941 13.4967 13.4967 13.6607 13.6607 13.9594 13.9594 14.1472 14.1472 14.5056 14.5056 15.3807 15.3807 17.6403 17.6403 18.3430 18.3430 18.6319 18.6319 18.7265 18.7265 k = 0.2821 0.4885-0.0000 ( 3401 PWs) bands (ev): -11.7087 -11.7087 1.3818 1.3818 3.0470 3.0470 3.4318 3.4318 7.3415 7.3415 8.0314 8.0314 9.2924 9.2924 9.4878 9.4878 9.5320 9.5320 9.6415 9.6415 9.8107 9.8107 10.0333 10.0333 10.1867 10.1867 10.1982 10.1982 10.8328 10.8328 11.2551 11.2551 11.4497 11.4497 11.6440 11.6440 11.9131 11.9131 12.0658 12.0658 12.5916 12.5916 12.7657 12.7657 12.8766 12.8766 12.9782 12.9782 13.0981 13.0981 13.1093 13.1093 13.4936 13.4936 13.6517 13.6517 13.9483 13.9483 14.1594 14.1594 14.5546 14.5546 15.3837 15.3837 17.6313 17.6313 18.3275 18.3275 18.5847 18.5847 18.7545 18.7545 k = 0.2735 0.4737-0.0000 ( 3401 PWs) bands (ev): -11.7088 -11.7088 1.3826 1.3826 3.0487 3.0487 3.4339 3.4339 7.2764 7.2764 8.0902 8.0902 9.2885 9.2885 9.4842 9.4842 9.5301 9.5301 9.6417 9.6417 9.8129 9.8129 10.0212 10.0212 10.1917 10.1917 10.2018 10.2018 10.7913 10.7913 11.2241 11.2241 11.3961 11.3961 11.6792 11.6792 11.9521 11.9521 12.0981 12.0981 12.5897 12.5897 12.7837 12.7837 12.8699 12.8699 12.9927 12.9927 13.1071 13.1071 13.1255 13.1255 13.4908 13.4908 13.6431 13.6431 13.9408 13.9408 14.1716 14.1716 14.6082 14.6082 15.3871 15.3871 17.6220 17.6220 18.3121 18.3121 18.5237 18.5237 18.8008 18.8008 k = 0.2650 0.4589-0.0000 ( 3401 PWs) bands (ev): -11.7090 -11.7090 1.3835 1.3835 3.0508 3.0508 3.4363 3.4363 7.2099 7.2099 8.1499 8.1499 9.2813 9.2813 9.4794 9.4794 9.5307 9.5307 9.6403 9.6403 9.8154 9.8154 10.0068 10.0068 10.1850 10.1850 10.2192 10.2192 10.7465 10.7465 11.1927 11.1927 11.3387 11.3387 11.7201 11.7201 11.9899 11.9899 12.1323 12.1323 12.5905 12.5905 12.7963 12.7963 12.8706 12.8706 13.0075 13.0075 13.1173 13.1173 13.1413 13.1413 13.4887 13.4887 13.6355 13.6355 13.9369 13.9369 14.1841 14.1841 14.6659 14.6659 15.3910 15.3910 17.6126 17.6126 18.2961 18.2961 18.4621 18.4621 18.8519 18.8519 k = 0.2564 0.4441-0.0000 ( 3407 PWs) bands (ev): -11.7092 -11.7092 1.3846 1.3846 3.0534 3.0534 3.4388 3.4388 7.1423 7.1423 8.2104 8.2104 9.2703 9.2703 9.4736 9.4736 9.5336 9.5336 9.6375 9.6375 9.8182 9.8182 9.9903 9.9903 10.1784 10.1784 10.2387 10.2387 10.6995 10.6995 11.1591 11.1591 11.2824 11.2824 11.7642 11.7642 12.0255 12.0255 12.1681 12.1681 12.5929 12.5929 12.8022 12.8022 12.8807 12.8807 13.0224 13.0224 13.1289 13.1289 13.1565 13.1565 13.4880 13.4880 13.6295 13.6295 13.9365 13.9365 14.1969 14.1969 14.7277 14.7277 15.3952 15.3952 17.6033 17.6033 18.2782 18.2782 18.4029 18.4029 18.9047 18.9047 k = 0.2479 0.4293-0.0000 ( 3413 PWs) bands (ev): -11.7094 -11.7094 1.3859 1.3859 3.0565 3.0565 3.4415 3.4415 7.0739 7.0739 8.2716 8.2716 9.2553 9.2553 9.4671 9.4671 9.5377 9.5377 9.6339 9.6339 9.8213 9.8213 9.9718 9.9718 10.1721 10.1721 10.2596 10.2596 10.6517 10.6517 11.1196 11.1196 11.2328 11.2328 11.8094 11.8094 12.0590 12.0590 12.2052 12.2052 12.5956 12.5956 12.8046 12.8046 12.8975 12.8975 13.0372 13.0372 13.1422 13.1422 13.1707 13.1707 13.4893 13.4893 13.6259 13.6259 13.9391 13.9391 14.2104 14.2104 14.7931 14.7931 15.3998 15.3998 17.5942 17.5942 18.2552 18.2552 18.3496 18.3496 18.9576 18.9576 k = 0.2393 0.4145-0.0000 ( 3409 PWs) bands (ev): -11.7097 -11.7097 1.3874 1.3874 3.0601 3.0601 3.4444 3.4444 7.0049 7.0049 8.3335 8.3335 9.2361 9.2361 9.4600 9.4600 9.5415 9.5415 9.6305 9.6305 9.8246 9.8246 9.9517 9.9517 10.1665 10.1665 10.2808 10.2808 10.6043 10.6043 11.0709 11.0709 11.1949 11.1949 11.8535 11.8535 12.0908 12.0908 12.2427 12.2427 12.5976 12.5976 12.8073 12.8073 12.9173 12.9173 13.0523 13.0523 13.1573 13.1573 13.1840 13.1840 13.4931 13.4931 13.6255 13.6255 13.9442 13.9442 14.2249 14.2249 14.8621 14.8621 15.4049 15.4049 17.5855 17.5855 18.2215 18.2215 18.3073 18.3073 19.0094 19.0094 k = 0.2308 0.3997-0.0000 ( 3425 PWs) bands (ev): -11.7099 -11.7099 1.3891 1.3891 3.0641 3.0641 3.4474 3.4474 6.9355 6.9355 8.3959 8.3959 9.2130 9.2130 9.4526 9.4526 9.5435 9.5435 9.6283 9.6283 9.8278 9.8278 9.9305 9.9305 10.1617 10.1617 10.3006 10.3006 10.5592 10.5592 11.0146 11.0146 11.1681 11.1681 11.8945 11.8945 12.1222 12.1222 12.2793 12.2793 12.5989 12.5989 12.8117 12.8117 12.9375 12.9375 13.0682 13.0682 13.1742 13.1742 13.1968 13.1968 13.5000 13.5000 13.6294 13.6294 13.9514 13.9514 14.2408 14.2408 14.9344 14.9344 15.4106 15.4106 17.5772 17.5772 18.1749 18.1749 18.2777 18.2777 19.0588 19.0588 k = 0.2222 0.3849-0.0000 ( 3415 PWs) bands (ev): -11.7102 -11.7102 1.3910 1.3910 3.0688 3.0688 3.4504 3.4504 6.8661 6.8661 8.4587 8.4587 9.1860 9.1860 9.4450 9.4450 9.5422 9.5422 9.6283 9.6283 9.8303 9.8303 9.9090 9.9090 10.1579 10.1579 10.3158 10.3158 10.5195 10.5195 10.9555 10.9555 11.1492 11.1492 11.9311 11.9311 12.1539 12.1539 12.3131 12.3131 12.6007 12.6007 12.8178 12.8178 12.9562 12.9562 13.0852 13.0852 13.1927 13.1927 13.2097 13.2097 13.5099 13.5099 13.6387 13.6387 13.9601 13.9601 14.2586 14.2586 15.0095 15.0095 15.4172 15.4172 17.5693 17.5693 18.1205 18.1205 18.2552 18.2552 19.1049 19.1049 k = 0.2137 0.3701-0.0000 ( 3415 PWs) bands (ev): -11.7105 -11.7105 1.3931 1.3931 3.0740 3.0740 3.4536 3.4536 6.7967 6.7967 8.5219 8.5219 9.1556 9.1556 9.4373 9.4373 9.5371 9.5371 9.6305 9.6305 9.8303 9.8303 9.8893 9.8893 10.1549 10.1549 10.3208 10.3208 10.4906 10.4906 10.8970 10.8970 11.1355 11.1355 11.9622 11.9622 12.1859 12.1859 12.3420 12.3420 12.6052 12.6052 12.8246 12.8246 12.9721 12.9721 13.1029 13.1029 13.2125 13.2125 13.2242 13.2242 13.5233 13.5233 13.6545 13.6545 13.9697 13.9697 14.2787 14.2787 15.0867 15.0867 15.4253 15.4253 17.5620 17.5620 18.0627 18.0627 18.2349 18.2349 19.1465 19.1465 k = 0.2051 0.3553-0.0000 ( 3417 PWs) bands (ev): -11.7109 -11.7109 1.3955 1.3955 3.0797 3.0797 3.4567 3.4567 6.7276 6.7276 8.5852 8.5852 9.1219 9.1219 9.4294 9.4294 9.5288 9.5288 9.6340 9.6340 9.8237 9.8237 9.8759 9.8759 10.1522 10.1522 10.3100 10.3100 10.4780 10.4780 10.8421 10.8421 11.1256 11.1256 11.9880 11.9880 12.2175 12.2175 12.3639 12.3639 12.6152 12.6152 12.8314 12.8314 12.9846 12.9846 13.1196 13.1196 13.2321 13.2321 13.2430 13.2430 13.5405 13.5405 13.6780 13.6780 13.9800 13.9800 14.3012 14.3012 15.1647 15.1647 15.4362 15.4362 17.5552 17.5552 18.0031 18.0031 18.2143 18.2143 19.1826 19.1826 k = 0.1966 0.3405-0.0000 ( 3421 PWs) bands (ev): -11.7112 -11.7112 1.3980 1.3980 3.0860 3.0860 3.4599 3.4599 6.6590 6.6590 8.6487 8.6487 9.0854 9.0854 9.4214 9.4214 9.5181 9.5181 9.6379 9.6379 9.8078 9.8078 9.8717 9.8717 10.1483 10.1483 10.2859 10.2859 10.4791 10.4791 10.7934 10.7934 11.1187 11.1187 12.0090 12.0090 12.2474 12.2474 12.3773 12.3773 12.6324 12.6324 12.8376 12.8376 12.9938 12.9938 13.1335 13.1335 13.2504 13.2504 13.2672 13.2672 13.5629 13.5629 13.7098 13.7098 13.9904 13.9904 14.3266 14.3266 15.2403 15.2403 15.4527 15.4527 17.5488 17.5488 17.9423 17.9423 18.1925 18.1925 19.2124 19.2124 k = 0.1880 0.3257-0.0000 ( 3417 PWs) bands (ev): -11.7116 -11.7116 1.4007 1.4007 3.0928 3.0928 3.4632 3.4632 6.5911 6.5911 8.7119 8.7119 9.0465 9.0465 9.4132 9.4132 9.5058 9.5058 9.6411 9.6411 9.7861 9.7861 9.8735 9.8735 10.1396 10.1396 10.2587 10.2587 10.4843 10.4843 10.7543 10.7543 11.1142 11.1142 12.0261 12.0261 12.2744 12.2744 12.3826 12.3826 12.6564 12.6564 12.8430 12.8430 13.0003 13.0003 13.1441 13.1441 13.2684 13.2684 13.2941 13.2941 13.5921 13.5921 13.7501 13.7501 14.0009 14.0009 14.3549 14.3549 15.3066 15.3066 15.4818 15.4818 17.5428 17.5428 17.8803 17.8803 18.1688 18.1688 19.2350 19.2350 k = 0.1795 0.3109-0.0000 ( 3421 PWs) bands (ev): -11.7120 -11.7120 1.4035 1.4035 3.1001 3.1001 3.4664 3.4664 6.5242 6.5242 8.7747 8.7747 9.0058 9.0058 9.4048 9.4048 9.4927 9.4927 9.6429 9.6429 9.7626 9.7626 9.8776 9.8776 10.1206 10.1206 10.2392 10.2392 10.4847 10.4847 10.7289 10.7289 11.1117 11.1117 12.0399 12.0399 12.2978 12.2978 12.3819 12.3819 12.6851 12.6851 12.8477 12.8477 13.0046 13.0046 13.1519 13.1519 13.2862 13.2862 13.3206 13.3206 13.6298 13.6298 13.7986 13.7986 14.0114 14.0114 14.3862 14.3862 15.3539 15.3539 15.5329 15.5329 17.5372 17.5372 17.8173 17.8173 18.1429 18.1429 19.2497 19.2497 k = 0.1709 0.2961-0.0000 ( 3427 PWs) bands (ev): -11.7123 -11.7123 1.4065 1.4065 3.1079 3.1079 3.4697 3.4697 6.4583 6.4583 8.8358 8.8358 8.9646 8.9646 9.3961 9.3961 9.4791 9.4791 9.6427 9.6427 9.7395 9.7395 9.8826 9.8826 10.0892 10.0892 10.2320 10.2320 10.4749 10.4749 10.7201 10.7201 11.1110 11.1110 12.0507 12.0507 12.3172 12.3172 12.3775 12.3775 12.7157 12.7157 12.8519 12.8519 13.0069 13.0069 13.1582 13.1582 13.3036 13.3036 13.3444 13.3444 13.6769 13.6769 13.8550 13.8550 14.0219 14.0219 14.4205 14.4205 15.3813 15.3813 15.6066 15.6066 17.5316 17.5316 17.7530 17.7530 18.1144 18.1144 19.2560 19.2560 k = 0.1624 0.2813-0.0000 ( 3423 PWs) bands (ev): -11.7127 -11.7127 1.4096 1.4096 3.1161 3.1161 3.4729 3.4729 6.3938 6.3938 8.8849 8.8849 8.9335 8.9335 9.3872 9.3872 9.4655 9.4655 9.6397 9.6397 9.7182 9.7182 9.8878 9.8878 10.0494 10.0494 10.2341 10.2341 10.4548 10.4548 10.7265 10.7265 11.1117 11.1117 12.0587 12.0587 12.3324 12.3324 12.3717 12.3717 12.7460 12.7460 12.8559 12.8559 13.0074 13.0074 13.1639 13.1639 13.3205 13.3205 13.3644 13.3644 13.7332 13.7332 13.9183 13.9183 14.0330 14.0330 14.4577 14.4577 15.3972 15.3972 15.6943 15.6943 17.5258 17.5258 17.6878 17.6878 18.0833 18.0833 19.2534 19.2534 k = 0.1538 0.2665-0.0000 ( 3423 PWs) bands (ev): -11.7131 -11.7131 1.4128 1.4128 3.1247 3.1247 3.4762 3.4762 6.3308 6.3308 8.8648 8.8648 8.9698 8.9698 9.3778 9.3778 9.4521 9.4521 9.6329 9.6329 9.7006 9.7006 9.8930 9.8930 10.0059 10.0059 10.2414 10.2414 10.4283 10.4283 10.7436 10.7436 11.1135 11.1135 12.0639 12.0639 12.3434 12.3434 12.3666 12.3666 12.7742 12.7742 12.8597 12.8597 13.0064 13.0064 13.1697 13.1697 13.3365 13.3365 13.3809 13.3809 13.7973 13.7973 13.9864 13.9864 14.0467 14.0467 14.4977 14.4977 15.4078 15.4078 15.7895 15.7895 17.5184 17.5184 17.6228 17.6228 18.0494 18.0494 19.2412 19.2412 k = 0.1453 0.2517-0.0000 ( 3417 PWs) bands (ev): -11.7135 -11.7135 1.4161 1.4161 3.1336 3.1336 3.4794 3.4794 6.2696 6.2696 8.8219 8.8219 9.0272 9.0272 9.3679 9.3679 9.4391 9.4391 9.6216 9.6216 9.6880 9.6880 9.8980 9.8980 9.9612 9.9612 10.2515 10.2515 10.3990 10.3990 10.7669 10.7669 11.1164 11.1164 12.0661 12.0661 12.3489 12.3489 12.3648 12.3648 12.7995 12.7995 12.8637 12.8637 13.0041 13.0041 13.1759 13.1759 13.3518 13.3518 13.3944 13.3944 13.8668 13.8668 14.0415 14.0415 14.0806 14.0806 14.5403 14.5403 15.4158 15.4158 15.8891 15.8891 17.5027 17.5027 17.5643 17.5643 18.0129 18.0129 19.2182 19.2182 k = 0.1368 0.2369-0.0000 ( 3417 PWs) bands (ev): -11.7139 -11.7139 1.4194 1.4194 3.1428 3.1428 3.4827 3.4827 6.2102 6.2102 8.7771 8.7771 9.0849 9.0849 9.3576 9.3576 9.4267 9.4267 9.6067 9.6067 9.6800 9.6800 9.9028 9.9028 9.9170 9.9170 10.2629 10.2629 10.3694 10.3694 10.7936 10.7936 11.1201 11.1201 12.0655 12.0655 12.3491 12.3491 12.3672 12.3672 12.8214 12.8214 12.8679 12.8679 13.0005 13.0005 13.1827 13.1827 13.3661 13.3661 13.4055 13.4055 13.9374 13.9374 14.0656 14.0656 14.1547 14.1547 14.5856 14.5856 15.4227 15.4227 15.9913 15.9913 17.4576 17.4576 17.5336 17.5336 17.9739 17.9739 19.1820 19.1820 k = 0.1282 0.2221-0.0000 ( 3421 PWs) bands (ev): -11.7143 -11.7143 1.4227 1.4227 3.1522 3.1522 3.4859 3.4859 6.1530 6.1530 8.7323 8.7323 9.1407 9.1407 9.3470 9.3470 9.4148 9.4148 9.5900 9.5900 9.6753 9.6753 9.8739 9.8739 9.9078 9.9078 10.2747 10.2747 10.3407 10.3407 10.8217 10.8217 11.1245 11.1245 12.0622 12.0622 12.3482 12.3482 12.3705 12.3705 12.8401 12.8401 12.8724 12.8724 12.9960 12.9960 13.1898 13.1898 13.3794 13.3794 13.4149 13.4149 13.9986 13.9986 14.0967 14.0967 14.2392 14.2392 14.6334 14.6334 15.4289 15.4289 16.0950 16.0950 17.3901 17.3901 17.5231 17.5231 17.9328 17.9328 19.1277 19.1277 k = 0.1197 0.2073-0.0000 ( 3419 PWs) bands (ev): -11.7147 -11.7147 1.4260 1.4260 3.1616 3.1616 3.4892 3.4892 6.0981 6.0981 8.6883 8.6883 9.1936 9.1936 9.3361 9.3361 9.4035 9.4035 9.5732 9.5732 9.6727 9.6727 9.8333 9.8333 9.9124 9.9124 10.2858 10.2858 10.3141 10.3141 10.8502 10.8502 11.1295 11.1295 12.0563 12.0563 12.3482 12.3482 12.3730 12.3730 12.8558 12.8558 12.8771 12.8771 12.9909 12.9909 13.1972 13.1972 13.3918 13.3918 13.4229 13.4229 14.0352 14.0352 14.1540 14.1540 14.3275 14.3275 14.6838 14.6838 15.4349 15.4349 16.1992 16.1992 17.3163 17.3163 17.5172 17.5172 17.8901 17.8901 19.0486 19.0486 k = 0.1111 0.1925-0.0000 ( 3431 PWs) bands (ev): -11.7151 -11.7151 1.4293 1.4293 3.1711 3.1711 3.4924 3.4924 6.0458 6.0458 8.6455 8.6455 9.2425 9.2425 9.3253 9.3253 9.3927 9.3927 9.5575 9.5575 9.6714 9.6714 9.7958 9.7958 9.9170 9.9170 10.2841 10.2841 10.3015 10.3015 10.8781 10.8781 11.1350 11.1350 12.0484 12.0484 12.3493 12.3493 12.3745 12.3745 12.8688 12.8688 12.8821 12.8821 12.9856 12.9856 13.2044 13.2044 13.4033 13.4033 13.4299 13.4299 14.0538 14.0538 14.2303 14.2303 14.4178 14.4178 14.7369 14.7369 15.4409 15.4409 16.3029 16.3029 17.2395 17.2395 17.5124 17.5124 17.8466 17.8466 18.9426 18.9426 k = 0.1026 0.1776-0.0000 ( 3425 PWs) bands (ev): -11.7155 -11.7155 1.4324 1.4324 3.1804 3.1804 3.4955 3.4955 5.9962 5.9962 8.6042 8.6042 9.2849 9.2849 9.3162 9.3162 9.3825 9.3825 9.5435 9.5435 9.6702 9.6702 9.7634 9.7634 9.9217 9.9217 10.2621 10.2621 10.3100 10.3100 10.9050 10.9050 11.1410 11.1410 12.0390 12.0390 12.3514 12.3514 12.3753 12.3753 12.8788 12.8788 12.8878 12.8878 12.9805 12.9805 13.2113 13.2113 13.4139 13.4139 13.4360 13.4360 14.0659 14.0659 14.3130 14.3130 14.5087 14.5087 14.7929 14.7929 15.4472 15.4472 16.4048 16.4048 17.1607 17.1607 17.5080 17.5080 17.8032 17.8032 18.8190 18.8190 k = 0.0940 0.1628-0.0000 ( 3421 PWs) bands (ev): -11.7158 -11.7158 1.4355 1.4355 3.1895 3.1895 3.4987 3.4987 5.9495 5.9495 8.5650 8.5650 9.2985 9.2985 9.3294 9.3294 9.3733 9.3733 9.5317 9.5317 9.6661 9.6661 9.7397 9.7397 9.9266 9.9266 10.2406 10.2406 10.3189 10.3189 10.9301 10.9301 11.1476 11.1476 12.0284 12.0284 12.3541 12.3541 12.3756 12.3756 12.8854 12.8854 12.8947 12.8947 12.9763 12.9763 13.2175 13.2175 13.4235 13.4235 13.4414 13.4414 14.0755 14.0755 14.3970 14.3970 14.5985 14.5985 14.8523 14.8523 15.4538 15.4538 16.5034 16.5034 17.0806 17.0806 17.5038 17.5038 17.7610 17.7610 18.6895 18.6895 k = 0.0855 0.1480-0.0000 ( 3421 PWs) bands (ev): -11.7162 -11.7162 1.4384 1.4384 3.1983 3.1983 3.5017 3.5017 5.9060 5.9060 8.5280 8.5280 9.2897 9.2897 9.3522 9.3522 9.3706 9.3706 9.5224 9.5224 9.6542 9.6542 9.7301 9.7301 9.9318 9.9318 10.2207 10.2207 10.3265 10.3265 10.9530 10.9530 11.1548 11.1548 12.0173 12.0173 12.3572 12.3572 12.3755 12.3755 12.8896 12.8896 12.9016 12.9016 12.9735 12.9735 13.2231 13.2231 13.4322 13.4322 13.4462 13.4462 14.0837 14.0837 14.4797 14.4797 14.6855 14.6855 14.9157 14.9157 15.4611 15.4611 16.5963 16.5963 17.0001 17.0001 17.5000 17.5000 17.7211 17.7211 18.5616 18.5616 k = 0.0769 0.1332-0.0000 ( 3425 PWs) bands (ev): -11.7165 -11.7165 1.4411 1.4411 3.2067 3.2067 3.5047 3.5047 5.8659 5.8659 8.4937 8.4937 9.2800 9.2800 9.3496 9.3496 9.3875 9.3875 9.5158 9.5158 9.6354 9.6354 9.7341 9.7341 9.9374 9.9374 10.2028 10.2028 10.3327 10.3327 10.9733 10.9733 11.1627 11.1627 12.0059 12.0059 12.3604 12.3604 12.3752 12.3752 12.8926 12.8926 12.9069 12.9069 12.9728 12.9728 13.2278 13.2278 13.4399 13.4399 13.4505 13.4505 14.0910 14.0910 14.5594 14.5594 14.7677 14.7677 14.9835 14.9835 15.4689 15.4689 16.6794 16.6794 16.9219 16.9219 17.4972 17.4972 17.6849 17.6849 18.4402 18.4402 k = 0.0684 0.1184-0.0000 ( 3429 PWs) bands (ev): -11.7168 -11.7168 1.4436 1.4436 3.2145 3.2145 3.5076 3.5076 5.8293 5.8293 8.4622 8.4622 9.2707 9.2707 9.3416 9.3416 9.4027 9.4027 9.5116 9.5116 9.6149 9.6149 9.7462 9.7462 9.9435 9.9435 10.1867 10.1867 10.3372 10.3372 10.9907 10.9907 11.1712 11.1712 11.9948 11.9948 12.3634 12.3634 12.3749 12.3749 12.8947 12.8947 12.9099 12.9099 12.9747 12.9747 13.2316 13.2316 13.4466 13.4466 13.4546 13.4546 14.0976 14.0976 14.6344 14.6344 14.8439 14.8439 15.0557 15.0557 15.4775 15.4775 16.7378 16.7378 16.8588 16.8588 17.4966 17.4966 17.6528 17.6528 18.3287 18.3287 k = 0.0598 0.1036-0.0000 ( 3429 PWs) bands (ev): -11.7170 -11.7170 1.4458 1.4458 3.2216 3.2216 3.5102 3.5102 5.7965 5.7965 8.4339 8.4339 9.2621 9.2621 9.3337 9.3337 9.4118 9.4118 9.5092 9.5092 9.5960 9.5960 9.7623 9.7623 9.9505 9.9505 10.1726 10.1726 10.3402 10.3402 11.0052 11.0052 11.1802 11.1802 11.9841 11.9841 12.3662 12.3662 12.3747 12.3747 12.8961 12.8961 12.9107 12.9107 12.9791 12.9791 13.2346 13.2346 13.4520 13.4520 13.4586 13.4586 14.1035 14.1035 14.7035 14.7035 14.9132 14.9132 15.1314 15.1314 15.4869 15.4869 16.7174 16.7174 16.8633 16.8633 17.4995 17.4995 17.6247 17.6247 18.2307 18.2307 k = 0.0513 0.0888-0.0000 ( 3423 PWs) bands (ev): -11.7172 -11.7172 1.4479 1.4479 3.2280 3.2280 3.5127 3.5127 5.7676 5.7676 8.4089 8.4089 9.2544 9.2544 9.3263 9.3263 9.4161 9.4161 9.5075 9.5075 9.5799 9.5799 9.7795 9.7795 9.9582 9.9582 10.1604 10.1604 10.3418 10.3418 11.0168 11.0168 11.1894 11.1894 11.9742 11.9742 12.3686 12.3686 12.3745 12.3745 12.8971 12.8971 12.9099 12.9099 12.9852 12.9852 13.2368 13.2368 13.4560 13.4560 13.4626 13.4626 14.1086 14.1086 14.7652 14.7652 14.9753 14.9753 15.2086 15.2086 15.4967 15.4967 16.6475 16.6475 16.9052 16.9052 17.5065 17.5065 17.5999 17.5999 18.1504 18.1504 k = 0.0427 0.0740-0.0000 ( 3429 PWs) bands (ev): -11.7174 -11.7174 1.4496 1.4496 3.2336 3.2336 3.5149 3.5149 5.7429 5.7429 8.3874 8.3874 9.2476 9.2476 9.3198 9.3198 9.4174 9.4174 9.5056 9.5056 9.5673 9.5673 9.7959 9.7959 9.9667 9.9667 10.1500 10.1500 10.3421 10.3421 11.0257 11.0257 11.1984 11.1984 11.9654 11.9654 12.3706 12.3706 12.3743 12.3743 12.8977 12.8977 12.9083 12.9083 12.9919 12.9919 13.2383 13.2383 13.4589 13.4589 13.4664 13.4664 14.1131 14.1131 14.8186 14.8186 15.0300 15.0300 15.2848 15.2848 15.5069 15.5069 16.5721 16.5721 16.9417 16.9417 17.5154 17.5154 17.5772 17.5772 18.0926 18.0926 k = 0.0342 0.0592-0.0000 ( 3429 PWs) bands (ev): -11.7176 -11.7176 1.4511 1.4511 3.2383 3.2383 3.5168 3.5168 5.7224 5.7224 8.3697 8.3697 9.2420 9.2420 9.3144 9.3144 9.4169 9.4169 9.5032 9.5032 9.5582 9.5582 9.8102 9.8102 9.9755 9.9755 10.1416 10.1416 10.3414 10.3414 11.0323 11.0323 11.2066 11.2066 11.9578 11.9578 12.3721 12.3721 12.3743 12.3743 12.8980 12.8980 12.9064 12.9064 12.9985 12.9985 13.2393 13.2393 13.4611 13.4611 13.4698 13.4698 14.1168 14.1168 14.8627 14.8627 15.0771 15.0771 15.3563 15.3563 15.5174 15.5174 16.4995 16.4995 16.9683 16.9683 17.5190 17.5190 17.5596 17.5596 18.0611 18.0611 k = 0.0256 0.0444-0.0000 ( 3425 PWs) bands (ev): -11.7177 -11.7177 1.4522 1.4522 3.2419 3.2419 3.5183 3.5183 5.7063 5.7063 8.3557 8.3557 9.2375 9.2375 9.3100 9.3100 9.4158 9.4158 9.5004 9.5004 9.5522 9.5522 9.8214 9.8214 9.9839 9.9839 10.1350 10.1350 10.3402 10.3402 11.0370 11.0370 11.2136 11.2136 11.9517 11.9517 12.3733 12.3733 12.3743 12.3743 12.8982 12.8982 12.9047 12.9047 13.0042 13.0042 13.2398 13.2398 13.4626 13.4626 13.4725 13.4725 14.1197 14.1197 14.8973 14.8973 15.1155 15.1155 15.4184 15.4184 15.5286 15.5286 16.4342 16.4342 16.9866 16.9866 17.5058 17.5058 17.5557 17.5557 18.0558 18.0558 k = 0.0171 0.0296-0.0000 ( 3433 PWs) bands (ev): -11.7178 -11.7178 1.4530 1.4530 3.2446 3.2446 3.5195 3.5195 5.6947 5.6947 8.3457 8.3457 9.2343 9.2343 9.3068 9.3068 9.4145 9.4145 9.4978 9.4978 9.5485 9.5485 9.8294 9.8294 9.9910 9.9910 10.1303 10.1303 10.3389 10.3389 11.0401 11.0401 11.2190 11.2190 11.9472 11.9472 12.3741 12.3741 12.3744 12.3744 12.8982 12.8982 12.9033 12.9033 13.0087 13.0087 13.2401 13.2401 13.4637 13.4637 13.4745 13.4745 14.1218 14.1218 14.9219 14.9219 15.1443 15.1443 15.4644 15.4644 15.5421 15.5421 16.3808 16.3808 16.9989 16.9989 17.4847 17.4847 17.5586 17.5586 18.0700 18.0700 k = 0.0085 0.0148-0.0000 ( 3441 PWs) bands (ev): -11.7179 -11.7179 1.4535 1.4535 3.2462 3.2462 3.5201 3.5201 5.6878 5.6878 8.3396 8.3396 9.2324 9.2324 9.3049 9.3049 9.4136 9.4136 9.4960 9.4960 9.5466 9.5466 9.8341 9.8341 9.9957 9.9957 10.1275 10.1275 10.3379 10.3379 11.0419 11.0419 11.2223 11.2223 11.9444 11.9444 12.3744 12.3744 12.3746 12.3746 12.8981 12.8981 12.9025 12.9025 13.0115 13.0115 13.2402 13.2402 13.4643 13.4643 13.4757 13.4757 14.1231 14.1231 14.9367 14.9367 15.1622 15.1622 15.4891 15.4891 15.5568 15.5568 16.3451 16.3451 17.0062 17.0062 17.4679 17.4679 17.5609 17.5609 18.0904 18.0904 k = 0.0000 0.0000 0.0000 ( 3437 PWs) bands (ev): -11.7179 -11.7179 1.4537 1.4537 3.2468 3.2468 3.5204 3.5204 5.6854 5.6854 8.3376 8.3376 9.2317 9.2317 9.3043 9.3043 9.4133 9.4133 9.4954 9.4954 9.5460 9.5460 9.8356 9.8356 9.9974 9.9974 10.1266 10.1266 10.3375 10.3375 11.0424 11.0424 11.2234 11.2234 11.9435 11.9435 12.3744 12.3744 12.3748 12.3748 12.8981 12.8981 12.9022 12.9022 13.0125 13.0125 13.2402 13.2402 13.4645 13.4645 13.4761 13.4761 14.1235 14.1235 14.9416 14.9416 15.1682 15.1682 15.4960 15.4960 15.5639 15.5639 16.3324 16.3324 17.0086 17.0086 17.4617 17.4617 17.5617 17.5617 18.1003 18.1003 k = 0.0000 0.0000 0.0000 ( 3437 PWs) bands (ev): -11.7179 -11.7179 1.4537 1.4537 3.2468 3.2468 3.5204 3.5204 5.6854 5.6854 8.3376 8.3376 9.2317 9.2317 9.3043 9.3043 9.4133 9.4133 9.4954 9.4954 9.5460 9.5460 9.8356 9.8356 9.9974 9.9974 10.1266 10.1266 10.3375 10.3375 11.0424 11.0424 11.2234 11.2234 11.9435 11.9435 12.3744 12.3744 12.3748 12.3748 12.8981 12.8981 12.9022 12.9022 13.0125 13.0125 13.2402 13.2402 13.4645 13.4645 13.4761 13.4761 14.1235 14.1235 14.9416 14.9416 15.1682 15.1682 15.4960 15.4960 15.5639 15.5639 16.3324 16.3324 17.0086 17.0086 17.4617 17.4617 17.5617 17.5617 18.1003 18.1003 k = 0.0000 0.0000 0.0172 ( 3443 PWs) bands (ev): -11.7178 -11.7178 1.4535 1.4535 3.2467 3.2467 3.5194 3.5194 5.6877 5.6877 8.3388 8.3388 9.2332 9.2332 9.3058 9.3058 9.4066 9.4066 9.4945 9.4945 9.5385 9.5385 9.8345 9.8345 9.9925 9.9925 10.1278 10.1278 10.3548 10.3548 11.0476 11.0476 11.2252 11.2252 11.9418 11.9418 12.3477 12.3477 12.4022 12.4022 12.8963 12.8963 12.8982 12.8982 13.0193 13.0193 13.2415 13.2415 13.4645 13.4645 13.4769 13.4769 14.1233 14.1233 14.9393 14.9393 15.1683 15.1683 15.4888 15.4888 15.5598 15.5598 16.3193 16.3193 17.0073 17.0073 17.4623 17.4623 17.5602 17.5602 18.0971 18.0971 k = 0.0000 0.0000 0.0343 ( 3443 PWs) bands (ev): -11.7177 -11.7177 1.4529 1.4529 3.2467 3.2467 3.5164 3.5164 5.6944 5.6944 8.3423 8.3423 9.2375 9.2375 9.3105 9.3105 9.3853 9.3853 9.4919 9.4919 9.5192 9.5192 9.8313 9.8313 9.9808 9.9808 10.1317 10.1317 10.4022 10.4022 11.0629 11.0629 11.2302 11.2302 11.9366 11.9366 12.3218 12.3218 12.4303 12.4303 12.8814 12.8814 12.8987 12.8987 13.0368 13.0368 13.2454 13.2454 13.4644 13.4644 13.4795 13.4795 14.1226 14.1226 14.9320 14.9320 15.1686 15.1686 15.4674 15.4674 15.5480 15.5480 16.2808 16.2808 17.0034 17.0034 17.4639 17.4639 17.5558 17.5558 18.0876 18.0876 k = 0.0000 0.0000 0.0515 ( 3443 PWs) bands (ev): -11.7175 -11.7175 1.4520 1.4520 3.2465 3.2465 3.5115 3.5115 5.7056 5.7056 8.3483 8.3483 9.2448 9.2448 9.3182 9.3182 9.3473 9.3473 9.4872 9.4872 9.4946 9.4946 9.8265 9.8265 9.9673 9.9673 10.1381 10.1381 10.4706 10.4706 11.0880 11.0880 11.2382 11.2382 11.9281 11.9281 12.2970 12.2970 12.4588 12.4588 12.8616 12.8616 12.8996 12.8996 13.0609 13.0609 13.2518 13.2518 13.4642 13.4642 13.4838 13.4838 14.1215 14.1215 14.9195 14.9195 15.1690 15.1690 15.4324 15.4324 15.5288 15.5288 16.2188 16.2188 16.9969 16.9969 17.4660 17.4660 17.5485 17.5485 18.0721 18.0721 k = 0.0000 0.0000 0.0686 ( 3443 PWs) bands (ev): -11.7171 -11.7171 1.4506 1.4506 3.2463 3.2463 3.5047 3.5047 5.7211 5.7211 8.3565 8.3565 9.2549 9.2549 9.2931 9.2931 9.3290 9.3290 9.4692 9.4692 9.4801 9.4801 9.8209 9.8209 9.9548 9.9548 10.1469 10.1469 10.5524 10.5524 11.1224 11.1224 11.2486 11.2486 11.9166 11.9166 12.2734 12.2734 12.4875 12.4875 12.8390 12.8390 12.9008 12.9008 13.0891 13.0891 13.2609 13.2609 13.4639 13.4639 13.4900 13.4900 14.1200 14.1200 14.9010 14.9010 15.1695 15.1695 15.3847 15.3847 15.5031 15.5031 16.1363 16.1363 16.9878 16.9878 17.4678 17.4678 17.5382 17.5382 18.0508 18.0508 k = 0.0000 0.0000 0.0858 ( 3431 PWs) bands (ev): -11.7167 -11.7167 1.4489 1.4489 3.2461 3.2461 3.4962 3.4962 5.7410 5.7410 8.3672 8.3672 9.2267 9.2267 9.2678 9.2678 9.3429 9.3429 9.4436 9.4436 9.4701 9.4701 9.8156 9.8156 9.9444 9.9444 10.1582 10.1582 10.6424 10.6424 11.1655 11.1655 11.2609 11.2609 11.9022 11.9022 12.2512 12.2512 12.5162 12.5162 12.8144 12.8144 12.9023 12.9023 13.1205 13.1205 13.2725 13.2725 13.4635 13.4635 13.4984 13.4984 14.1184 14.1184 14.8755 14.8755 15.1702 15.1702 15.3254 15.3254 15.4718 15.4718 16.0369 16.0369 16.9760 16.9760 17.4687 17.4687 17.5249 17.5249 18.0241 18.0241 k = 0.0000 0.0000 0.1029 ( 3431 PWs) bands (ev): -11.7162 -11.7162 1.4469 1.4469 3.2458 3.2458 3.4860 3.4860 5.7652 5.7652 8.3801 8.3801 9.1526 9.1526 9.2834 9.2834 9.3598 9.3598 9.4166 9.4166 9.4568 9.4568 9.8115 9.8115 9.9367 9.9367 10.1717 10.1717 10.7371 10.7371 11.2170 11.2170 11.2741 11.2741 11.8853 11.8853 12.2305 12.2305 12.5448 12.5448 12.7882 12.7882 12.9042 12.9042 13.1545 13.1545 13.2866 13.2866 13.4630 13.4630 13.5090 13.5090 14.1167 14.1167 14.8420 14.8420 15.1710 15.1710 15.2558 15.2558 15.4356 15.4356 15.9246 15.9246 16.9616 16.9616 17.4676 17.4676 17.5086 17.5086 17.9923 17.9923 k = 0.0000 0.0000 0.1201 ( 3419 PWs) bands (ev): -11.7156 -11.7156 1.4445 1.4445 3.2455 3.2455 3.4742 3.4742 5.7935 5.7935 8.3953 8.3953 9.0741 9.0741 9.3016 9.3016 9.3798 9.3798 9.3875 9.3875 9.4400 9.4400 9.8095 9.8095 9.9317 9.9317 10.1874 10.1874 10.8337 10.8337 11.2765 11.2765 11.2876 11.2876 11.8662 11.8662 12.2112 12.2112 12.5732 12.5732 12.7603 12.7603 12.9064 12.9064 13.1908 13.1908 13.3031 13.3031 13.4624 13.4624 13.5224 13.5224 14.1151 14.1151 14.7990 14.7990 15.1719 15.1719 15.1772 15.1772 15.3945 15.3945 15.8042 15.8042 16.9445 16.9445 17.4637 17.4637 17.4893 17.4893 17.9554 17.9554 k = 0.0000 0.0000 0.1372 ( 3419 PWs) bands (ev): -11.7150 -11.7150 1.4417 1.4417 3.2451 3.2451 3.4610 3.4610 5.8258 5.8258 8.4128 8.4128 8.9935 8.9935 9.3217 9.3217 9.3561 9.3561 9.4027 9.4027 9.4202 9.4202 9.8104 9.8104 9.9295 9.9295 10.2052 10.2052 10.9301 10.9301 11.3007 11.3007 11.3441 11.3441 11.8452 11.8452 12.1933 12.1933 12.6014 12.6014 12.7308 12.7308 12.9089 12.9089 13.2291 13.2291 13.3219 13.3219 13.4615 13.4615 13.5387 13.5387 14.1138 14.1138 14.7454 14.7454 15.0908 15.0908 15.1728 15.1728 15.3462 15.3462 15.6825 15.6825 16.9247 16.9247 17.4564 17.4564 17.4671 17.4671 17.9140 17.9140 k = 0.0000 0.0000 0.1544 ( 3425 PWs) bands (ev): -11.7142 -11.7142 1.4387 1.4387 3.2447 3.2447 3.4466 3.4466 5.8620 5.8620 8.4326 8.4326 8.9122 8.9122 9.3224 9.3224 9.3416 9.3416 9.3997 9.3997 9.4286 9.4286 9.8144 9.8144 9.9299 9.9299 10.2248 10.2248 11.0245 11.0245 11.3126 11.3126 11.4199 11.4199 11.8226 11.8226 12.1766 12.1766 12.6293 12.6293 12.6997 12.6997 12.9117 12.9117 13.2693 13.2693 13.3428 13.3428 13.4604 13.4604 13.5583 13.5583 14.1130 14.1130 14.6804 14.6804 14.9979 14.9979 15.1738 15.1738 15.2836 15.2836 15.5702 15.5702 16.9021 16.9021 17.4403 17.4403 17.4465 17.4465 17.8683 17.8683 k = 0.0000 0.0000 0.1715 ( 3413 PWs) bands (ev): -11.7134 -11.7134 1.4353 1.4353 3.2442 3.2442 3.4312 3.4312 5.9019 5.9019 8.4545 8.4545 8.8312 8.8312 9.2869 9.2869 9.3472 9.3472 9.3928 9.3928 9.4573 9.4573 9.8218 9.8218 9.9327 9.9327 10.2462 10.2462 11.1152 11.1152 11.3228 11.3228 11.5040 11.5040 11.7986 11.7986 12.1610 12.1610 12.6570 12.6570 12.6670 12.6670 12.9148 12.9148 13.3109 13.3109 13.3653 13.3653 13.4591 13.4591 13.5818 13.5818 14.1130 14.1130 14.6034 14.6034 14.8995 14.8995 15.1748 15.1748 15.1961 15.1961 15.4814 15.4814 16.8768 16.8768 17.4121 17.4121 17.4308 17.4308 17.8187 17.8187 k = 0.0000 0.0000 0.1887 ( 3413 PWs) bands (ev): -11.7126 -11.7126 1.4316 1.4316 3.2437 3.2437 3.4148 3.4148 5.9455 5.9455 8.4786 8.4786 8.7512 8.7512 9.2499 9.2499 9.3254 9.3254 9.4132 9.4132 9.4890 9.4890 9.8326 9.8326 9.9379 9.9379 10.2691 10.2691 11.2013 11.2013 11.3311 11.3311 11.5960 11.5960 11.7735 11.7735 12.1462 12.1462 12.6328 12.6328 12.6844 12.6844 12.9182 12.9182 13.3538 13.3538 13.3892 13.3892 13.4575 13.4575 13.6094 13.6094 14.1142 14.1142 14.5142 14.5142 14.7969 14.7969 15.0810 15.0810 15.1758 15.1758 15.4213 15.4213 16.8487 16.8487 17.3803 17.3803 17.4112 17.4112 17.7656 17.7656 k = 0.0000 0.0000 0.2058 ( 3419 PWs) bands (ev): -11.7116 -11.7116 1.4277 1.4277 3.2432 3.2432 3.3976 3.3976 5.9925 5.9925 8.5048 8.5048 8.6725 8.6725 9.2119 9.2119 9.2945 9.2945 9.4430 9.4430 9.5235 9.5235 9.8464 9.8464 9.9452 9.9452 10.2934 10.2934 11.2824 11.2824 11.3370 11.3370 11.6953 11.6953 11.7475 11.7475 12.1318 12.1318 12.5971 12.5971 12.7114 12.7114 12.9218 12.9218 13.3976 13.3976 13.4141 13.4141 13.4555 13.4555 13.6415 13.6415 14.1168 14.1168 14.4129 14.4129 14.6909 14.6909 14.9483 14.9483 15.1767 15.1767 15.3821 15.3821 16.8178 16.8178 17.3451 17.3451 17.3874 17.3874 17.7094 17.7094 k = 0.0000 0.0000 0.2230 ( 3419 PWs) bands (ev): -11.7107 -11.7107 1.4235 1.4235 3.2427 3.2427 3.3799 3.3799 6.0428 6.0428 8.5330 8.5330 8.5957 8.5957 9.1733 9.1733 9.2606 9.2606 9.4765 9.4765 9.5607 9.5607 9.8632 9.8632 9.9543 9.9543 10.3189 10.3189 11.3405 11.3405 11.3586 11.3586 11.7206 11.7206 11.8008 11.8008 12.1175 12.1175 12.5602 12.5602 12.7382 12.7382 12.9256 12.9256 13.4395 13.4395 13.4417 13.4417 13.4532 13.4532 13.6783 13.6783 14.1211 14.1211 14.3000 14.3000 14.5827 14.5827 14.8083 14.8083 15.1775 15.1775 15.3551 15.3551 16.7840 16.7840 17.3067 17.3067 17.3594 17.3594 17.6506 17.6506 k = 0.0000 0.0000 0.2401 ( 3419 PWs) bands (ev): -11.7096 -11.7096 1.4191 1.4191 3.2421 3.2421 3.3617 3.3617 6.0962 6.0962 8.5210 8.5210 8.5633 8.5633 9.1344 9.1344 9.2252 9.2252 9.5127 9.5127 9.6006 9.6006 9.8829 9.8829 9.9650 9.9650 10.3453 10.3453 11.3416 11.3416 11.4302 11.4302 11.6931 11.6931 11.9112 11.9112 12.1029 12.1029 12.5222 12.5222 12.7645 12.7645 12.9297 12.9297 13.4506 13.4506 13.4649 13.4649 13.4853 13.4853 13.7200 13.7200 14.1276 14.1276 14.1768 14.1768 14.4735 14.4735 14.6672 14.6672 15.1781 15.1781 15.3353 15.3353 16.7474 16.7474 17.2651 17.2651 17.3275 17.3275 17.5894 17.5894 k = 0.0000 0.0000 0.2573 ( 3401 PWs) bands (ev): -11.7086 -11.7086 1.4145 1.4145 3.2415 3.2415 3.3433 3.3433 6.1525 6.1525 8.4486 8.4486 8.5955 8.5955 9.0956 9.0956 9.1890 9.1890 9.5513 9.5513 9.6431 9.6431 9.9051 9.9051 9.9772 9.9772 10.3725 10.3725 11.3405 11.3405 11.4977 11.4977 11.6650 11.6650 12.0252 12.0252 12.0879 12.0879 12.4834 12.4834 12.7903 12.7903 12.9338 12.9338 13.4476 13.4476 13.4893 13.4893 13.5264 13.5264 13.7664 13.7664 14.0458 14.0458 14.1365 14.1365 14.3645 14.3645 14.5282 14.5282 15.1786 15.1786 15.3203 15.3203 16.7079 16.7079 17.2203 17.2203 17.2919 17.2919 17.5265 17.5265 k = 0.0000 0.0000 0.2744 ( 3401 PWs) bands (ev): -11.7075 -11.7075 1.4097 1.4097 3.2409 3.2409 3.3247 3.3247 6.2114 6.2114 8.3787 8.3787 8.6296 8.6296 9.0572 9.0572 9.1525 9.1525 9.5918 9.5918 9.6881 9.6881 9.9300 9.9300 9.9906 9.9906 10.4002 10.4002 11.3373 11.3373 11.5614 11.5614 11.6364 11.6364 12.0720 12.0720 12.1417 12.1417 12.4440 12.4440 12.8153 12.8153 12.9381 12.9381 13.4444 13.4444 13.5117 13.5117 13.5594 13.5594 13.8173 13.8173 13.9140 13.9140 14.1483 14.1483 14.2578 14.2578 14.3925 14.3925 15.1787 15.1787 15.3086 15.3086 16.6656 16.6656 17.1723 17.1723 17.2530 17.2530 17.4621 17.4621 k = 0.0000 0.0000 0.2916 ( 3419 PWs) bands (ev): -11.7064 -11.7064 1.4048 1.4048 3.2403 3.2403 3.3061 3.3061 6.2727 6.2727 8.3114 8.3114 8.6654 8.6654 9.0195 9.0195 9.1161 9.1161 9.6340 9.6340 9.7356 9.7356 9.9574 9.9574 10.0050 10.0050 10.4283 10.4283 11.3322 11.3322 11.6073 11.6073 11.6214 11.6214 12.0552 12.0552 12.2596 12.2596 12.4043 12.4043 12.8395 12.8395 12.9424 12.9424 13.4410 13.4410 13.5295 13.5295 13.5630 13.5630 13.8044 13.8044 13.8721 13.8721 14.1565 14.1565 14.1633 14.1633 14.2606 14.2606 15.1785 15.1785 15.2992 15.2992 16.6205 16.6205 17.1213 17.1213 17.2112 17.2112 17.3966 17.3966 k = 0.0000 0.0000 0.3088 ( 3407 PWs) bands (ev): -11.7053 -11.7053 1.3998 1.3998 3.2396 3.2396 3.2878 3.2878 6.3362 6.3362 8.2469 8.2469 8.7031 8.7031 8.9827 8.9827 9.0802 9.0802 9.6777 9.6777 9.7853 9.7853 9.9872 9.9872 10.0203 10.0203 10.4565 10.4565 11.3255 11.3255 11.5778 11.5778 11.6779 11.6779 12.0375 12.0375 12.3645 12.3645 12.3782 12.3782 12.8627 12.8627 12.9466 12.9466 13.4376 13.4376 13.4897 13.4897 13.5387 13.5387 13.7664 13.7664 13.9286 13.9286 14.0674 14.0674 14.1321 14.1321 14.1818 14.1818 15.1779 15.1779 15.2917 15.2917 16.5726 16.5726 17.0672 17.0672 17.1668 17.1668 17.3306 17.3306 k = 0.0000 0.0000 0.3259 ( 3407 PWs) bands (ev): -11.7042 -11.7042 1.3947 1.3947 3.2390 3.2390 3.2697 3.2697 6.4016 6.4016 8.1853 8.1853 8.7424 8.7424 8.9469 8.9469 9.0450 9.0450 9.7223 9.7223 9.8373 9.8373 10.0196 10.0196 10.0363 10.0363 10.4846 10.4846 11.3174 11.3174 11.5478 11.5478 11.7309 11.7309 12.0189 12.0189 12.3250 12.3250 12.4964 12.4964 12.8848 12.8848 12.9506 12.9506 13.3548 13.3548 13.4342 13.4342 13.5320 13.5320 13.7865 13.7865 13.9597 13.9597 14.0066 14.0066 14.0245 14.0245 14.2040 14.2040 15.1769 15.1769 15.2855 15.2855 16.5219 16.5219 17.0102 17.0102 17.1203 17.1203 17.2643 17.2643 k = 0.0000 0.0000 0.3431 ( 3413 PWs) bands (ev): -11.7030 -11.7030 1.3896 1.3896 3.2384 3.2384 3.2520 3.2520 6.4685 6.4685 8.1266 8.1266 8.7832 8.7832 8.9124 8.9124 9.0108 9.0108 9.7676 9.7676 9.8913 9.8913 10.0528 10.0528 10.0547 10.0547 10.5125 10.5125 11.3080 11.3080 11.5174 11.5174 11.7803 11.7803 11.9995 11.9995 12.2861 12.2861 12.6137 12.6137 12.9055 12.9055 12.9544 12.9544 13.1999 13.1999 13.4312 13.4312 13.5007 13.5007 13.8244 13.8244 13.8838 13.8838 13.9263 13.9263 14.0758 14.0758 14.2304 14.2304 15.1753 15.1753 15.2805 15.2805 16.4686 16.4686 16.9504 16.9504 17.0721 17.0721 17.1982 17.1982 k = 0.0000 0.0000 0.3602 ( 3413 PWs) bands (ev): -11.7019 -11.7019 1.3845 1.3845 3.2348 3.2348 3.2378 3.2378 6.5366 6.5366 8.0709 8.0709 8.8256 8.8256 8.8793 8.8793 8.9777 8.9777 9.8131 9.8131 9.9472 9.9472 10.0696 10.0696 10.0926 10.0926 10.5399 10.5399 11.2976 11.2976 11.4865 11.4865 11.8261 11.8261 11.9794 11.9794 12.2480 12.2480 12.7291 12.7291 12.9248 12.9248 12.9578 12.9578 13.0391 13.0391 13.4288 13.4288 13.4416 13.4416 13.7632 13.7632 13.8681 13.8681 13.9076 13.9076 14.1450 14.1450 14.2610 14.2610 15.1731 15.1731 15.2763 15.2763 16.4126 16.4126 16.8878 16.8878 17.0227 17.0227 17.1326 17.1326 k = 0.0000 0.0000 0.3774 ( 3413 PWs) bands (ev): -11.7008 -11.7008 1.3795 1.3795 3.2182 3.2182 3.2372 3.2372 6.6055 6.6055 8.0183 8.0183 8.8477 8.8477 8.8693 8.8693 8.9460 8.9460 9.8582 9.8582 10.0047 10.0047 10.0865 10.0865 10.1333 10.1333 10.5667 10.5667 11.2863 11.2863 11.4552 11.4552 11.8683 11.8683 11.9591 11.9591 12.2111 12.2111 12.8416 12.8416 12.8770 12.8770 12.9425 12.9425 12.9609 12.9609 13.3608 13.3608 13.4274 13.4274 13.6451 13.6451 13.9104 13.9104 13.9134 13.9134 14.2193 14.2193 14.2960 14.2960 15.1703 15.1703 15.2728 15.2728 16.3542 16.3542 16.8226 16.8226 16.9726 16.9726 17.0679 17.0679 k = 0.0000 0.0000 0.3945 ( 3407 PWs) bands (ev): -11.6998 -11.6998 1.3745 1.3745 3.2023 3.2023 3.2366 3.2366 6.6747 6.6747 7.9689 7.9689 8.8177 8.8177 8.9142 8.9142 8.9157 8.9157 9.9025 9.9025 10.0637 10.0637 10.1035 10.1035 10.1770 10.1770 10.5928 10.5928 11.2743 11.2743 11.4233 11.4233 11.9069 11.9069 11.9386 11.9386 12.1753 12.1753 12.7164 12.7164 12.9476 12.9476 12.9584 12.9584 12.9660 12.9660 13.2674 13.2674 13.4277 13.4277 13.5294 13.5294 13.9273 13.9273 13.9590 13.9590 14.2971 14.2971 14.3356 14.3356 15.1667 15.1667 15.2699 15.2699 16.2933 16.2933 16.7548 16.7548 16.9222 16.9222 17.0045 17.0045 k = 0.0000 0.0000 0.4117 ( 3413 PWs) bands (ev): -11.6988 -11.6988 1.3697 1.3697 3.1872 3.1872 3.2360 3.2360 6.7437 6.7437 7.9227 7.9227 8.7895 8.7895 8.8871 8.8871 8.9602 8.9602 9.9455 9.9455 10.1202 10.1202 10.1239 10.1239 10.2237 10.2237 10.6180 10.6180 11.2615 11.2615 11.3910 11.3910 11.9186 11.9186 11.9418 11.9418 12.1406 12.1406 12.5591 12.5591 12.9639 12.9639 12.9716 12.9716 13.0549 13.0549 13.1685 13.1685 13.4163 13.4163 13.4308 13.4308 13.9521 13.9521 14.0043 14.0043 14.3778 14.3778 14.3797 14.3797 15.1623 15.1623 15.2675 15.2675 16.2302 16.2302 16.6844 16.6844 16.8721 16.8721 16.9428 16.9428 k = 0.0000 0.0000 0.4288 ( 3413 PWs) bands (ev): -11.6978 -11.6978 1.3650 1.3650 3.1730 3.1730 3.2355 3.2355 6.8121 6.8121 7.8798 7.8798 8.7631 8.7631 8.8602 8.8602 9.0071 9.0071 9.9868 9.9868 10.1366 10.1366 10.1849 10.1849 10.2732 10.2732 10.6421 10.6421 11.2480 11.2480 11.3583 11.3583 11.8993 11.8993 11.9732 11.9732 12.1060 12.1060 12.4077 12.4077 12.9652 12.9652 12.9769 12.9769 13.0732 13.0732 13.1499 13.1499 13.3060 13.3060 13.4387 13.4387 13.9811 13.9811 14.0486 14.0486 14.4284 14.4284 14.4610 14.4610 15.1572 15.1572 15.2655 15.2655 16.1649 16.1649 16.6116 16.6116 16.8228 16.8228 16.8831 16.8831 k = 0.0000 0.0000 0.4460 ( 3407 PWs) bands (ev): -11.6968 -11.6968 1.3605 1.3605 3.1597 3.1597 3.2350 3.2350 6.8791 6.8791 7.8401 7.8401 8.7385 8.7385 8.8352 8.8352 9.0547 9.0547 10.0261 10.0261 10.1525 10.1525 10.2463 10.2463 10.3254 10.3254 10.6652 10.6652 11.2340 11.2340 11.3253 11.3253 11.8813 11.8813 12.0012 12.0012 12.0680 12.0680 12.2670 12.2670 12.9347 12.9347 12.9657 12.9657 13.0233 13.0233 13.1990 13.1990 13.2319 13.2319 13.4560 13.4560 14.0121 14.0121 14.0916 14.0916 14.4816 14.4816 14.5463 14.5463 15.1512 15.1512 15.2638 15.2638 16.0976 16.0976 16.5365 16.5365 16.7748 16.7748 16.8259 16.8259 k = 0.0000 0.0000 0.4631 ( 3418 PWs) bands (ev): -11.6960 -11.6960 1.3563 1.3563 3.1473 3.1473 3.2345 3.2345 6.9441 6.9441 7.8038 7.8038 8.7159 8.7159 8.8121 8.8121 9.1027 9.1027 10.0632 10.0632 10.1677 10.1677 10.3077 10.3077 10.3796 10.3796 10.6871 10.6871 11.2193 11.2193 11.2919 11.2919 11.8651 11.8651 12.0130 12.0130 12.0258 12.0258 12.1522 12.1522 12.8409 12.8409 12.9655 12.9655 13.0245 13.0245 13.0957 13.0957 13.2930 13.2930 13.4898 13.4898 14.0438 14.0438 14.1328 14.1328 14.5389 14.5389 14.6335 14.6335 15.1444 15.1444 15.2624 15.2624 16.0284 16.0284 16.4592 16.4592 16.7286 16.7286 16.7715 16.7715 k = 0.0000 0.0000 0.4803 ( 3418 PWs) bands (ev): -11.6952 -11.6952 1.3523 1.3523 3.1360 3.1360 3.2340 3.2340 7.0064 7.0064 7.7709 7.7709 8.6953 8.6953 8.7910 8.7910 9.1506 9.1506 10.0978 10.0978 10.1821 10.1821 10.3684 10.3684 10.4353 10.4353 10.7079 10.7079 11.2041 11.2041 11.2583 11.2583 11.8513 11.8513 11.9191 11.9191 12.0472 12.0472 12.0863 12.0863 12.7411 12.7411 12.9647 12.9647 12.9968 12.9968 13.0323 13.0323 13.3296 13.3296 13.5428 13.5428 14.0750 14.0750 14.1719 14.1719 14.6003 14.6003 14.7221 14.7221 15.1369 15.1369 15.2612 15.2612 15.9576 15.9576 16.3799 16.3799 16.6848 16.6848 16.7203 16.7203 k = 0.0000 0.0000 0.4974 ( 3418 PWs) bands (ev): -11.6944 -11.6944 1.3487 1.3487 3.1258 3.1258 3.2336 3.2336 7.0652 7.0652 7.7413 7.7413 8.6768 8.6768 8.7719 8.7719 9.1980 9.1980 10.1299 10.1299 10.1954 10.1954 10.4276 10.4276 10.4917 10.4917 10.7278 10.7278 11.1882 11.1882 11.2247 11.2247 11.8040 11.8040 11.8405 11.8405 12.0531 12.0531 12.0657 12.0657 12.6425 12.6425 12.9028 12.9028 12.9635 12.9635 13.0404 13.0404 13.3488 13.3488 13.6073 13.6073 14.1049 14.1049 14.2084 14.2084 14.6653 14.6653 14.8120 14.8120 15.1288 15.1288 15.2602 15.2602 15.8853 15.8853 16.2987 16.2987 16.6438 16.6438 16.6729 16.6729 k = 0.0000 0.0000 0.5146 ( 3400 PWs) bands (ev): -11.6937 -11.6937 1.3454 1.3454 3.1167 3.1167 3.2333 3.2333 7.1197 7.1197 7.7152 7.7152 8.6603 8.6603 8.7550 8.7550 9.2443 9.2443 10.1591 10.1591 10.2076 10.2076 10.4843 10.4843 10.5480 10.5480 10.7470 10.7470 11.1717 11.1717 11.1910 11.1910 11.6896 11.6896 11.8335 11.8335 12.0322 12.0322 12.0814 12.0814 12.5470 12.5470 12.8147 12.8147 12.9621 12.9621 13.0479 13.0479 13.3592 13.3592 13.6738 13.6738 14.1330 14.1330 14.2419 14.2419 14.7334 14.7334 14.9027 14.9027 15.1202 15.1202 15.2594 15.2594 15.8116 15.8116 16.2159 16.2159 16.6061 16.6061 16.6297 16.6297 k = 0.0000 0.0000 0.5317 ( 3400 PWs) bands (ev): -11.6932 -11.6932 1.3425 1.3425 3.1088 3.1088 3.2329 3.2329 7.1692 7.1692 7.6925 7.6925 8.6460 8.6460 8.7402 8.7402 9.2885 9.2885 10.1853 10.1853 10.2185 10.2185 10.5372 10.5372 10.6030 10.6030 10.7659 10.7659 11.1547 11.1547 11.1575 11.1575 11.5832 11.5832 11.8307 11.8307 12.0177 12.0177 12.0945 12.0945 12.4557 12.4557 12.7334 12.7334 12.9604 12.9604 13.0546 13.0546 13.3655 13.3655 13.7369 13.7369 14.1587 14.1587 14.2721 14.2721 14.8043 14.8043 14.9939 14.9939 15.1114 15.1114 15.2587 15.2587 15.7368 15.7368 16.1317 16.1317 16.5723 16.5723 16.5910 16.5910 k = 0.0000 0.0000 0.5489 ( 3400 PWs) bands (ev): -11.6926 -11.6926 1.3400 1.3400 3.1020 3.1020 3.2327 3.2327 7.2127 7.2127 7.6733 7.6733 8.6338 8.6338 8.7277 8.7277 9.3297 9.3297 10.2081 10.2081 10.2279 10.2279 10.5845 10.5845 10.6555 10.6555 10.7854 10.7854 11.1245 11.1245 11.1373 11.1373 11.4883 11.4883 11.8328 11.8328 12.0077 12.0077 12.1052 12.1052 12.3700 12.3700 12.6603 12.6603 12.9588 12.9588 13.0602 13.0602 13.3696 13.3696 13.7936 13.7936 14.1813 14.1813 14.2985 14.2985 14.8775 14.8775 15.0849 15.0849 15.1028 15.1028 15.2582 15.2582 15.6611 15.6611 16.0467 16.0467 16.5427 16.5427 16.5573 16.5573 k = 0.0000 0.0000 0.5660 ( 3400 PWs) bands (ev): -11.6922 -11.6922 1.3379 1.3379 3.0964 3.0964 3.2324 3.2324 7.2496 7.2496 7.6575 7.6575 8.6238 8.6238 8.7173 8.7173 9.3666 9.3666 10.2274 10.2274 10.2358 10.2358 10.6243 10.6243 10.7041 10.7041 10.8060 10.8060 11.0927 11.0927 11.1198 11.1198 11.4070 11.4070 11.8400 11.8400 12.0013 12.0013 12.1137 12.1137 12.2912 12.2912 12.5967 12.5967 12.9572 12.9572 13.0648 13.0648 13.3724 13.3724 13.8422 13.8422 14.2005 14.2005 14.3208 14.3208 14.9522 14.9522 15.0948 15.0948 15.1752 15.1752 15.2578 15.2578 15.5847 15.5847 15.9614 15.9614 16.5179 16.5179 16.5291 16.5291 k = 0.0000 0.0000 0.5832 ( 3400 PWs) bands (ev): -11.6919 -11.6919 1.3362 1.3362 3.0921 3.0921 3.2323 3.2323 7.2791 7.2791 7.6452 7.6452 8.6160 8.6160 8.7093 8.7093 9.3976 9.3976 10.2421 10.2421 10.2428 10.2428 10.6549 10.6549 10.7467 10.7467 10.8280 10.8280 11.0633 11.0633 11.1030 11.1030 11.3411 11.3411 11.8521 11.8521 11.9977 11.9977 12.1202 12.1202 12.2213 12.2213 12.5444 12.5444 12.9559 12.9559 13.0684 13.0684 13.3744 13.3744 13.8814 13.8814 14.2159 14.2159 14.3385 14.3385 15.0278 15.0278 15.0880 15.0880 15.2575 15.2575 15.2634 15.2634 15.5080 15.5080 15.8772 15.8772 16.4981 16.4981 16.5067 16.5067 k = 0.0000 0.0000 0.6003 ( 3400 PWs) bands (ev): -11.6917 -11.6917 1.3350 1.3350 3.0890 3.0890 3.2321 3.2321 7.3006 7.3006 7.6365 7.6365 8.6105 8.6105 8.7035 8.7035 9.4213 9.4213 10.2466 10.2466 10.2540 10.2540 10.6756 10.6756 10.7809 10.7809 10.8496 10.8496 11.0383 11.0383 11.0881 11.0881 11.2921 11.2921 11.8675 11.8675 11.9963 11.9963 12.1247 12.1247 12.1633 12.1633 12.5050 12.5050 12.9548 12.9548 13.0710 13.0710 13.3758 13.3758 13.9101 13.9101 14.2272 14.2272 14.3514 14.3514 15.0809 15.0809 15.1053 15.1053 15.2573 15.2573 15.3464 15.3464 15.4318 15.4318 15.7970 15.7970 16.4838 16.4838 16.4905 16.4905 k = 0.0000 0.0000 0.6175 ( 3400 PWs) bands (ev): -11.6915 -11.6915 1.3343 1.3343 3.0871 3.0871 3.2320 3.2320 7.3137 7.3137 7.6312 7.6312 8.6071 8.6071 8.7000 8.7000 9.4362 9.4362 10.2493 10.2493 10.2608 10.2608 10.6874 10.6874 10.8036 10.8036 10.8666 10.8666 11.0205 11.0205 11.0774 11.0774 11.2617 11.2617 11.8821 11.8821 11.9959 11.9959 12.1226 12.1226 12.1273 12.1273 12.4805 12.4805 12.9542 12.9542 13.0726 13.0726 13.3765 13.3765 13.9277 13.9277 14.2340 14.2340 14.3592 14.3592 15.0784 15.0784 15.1772 15.1772 15.2572 15.2572 15.3588 15.3588 15.4159 15.4159 15.7292 15.7292 16.4751 16.4751 16.4806 16.4806 k = 0.0000 0.0000 0.6347 ( 3388 PWs) bands (ev): -11.6915 -11.6915 1.3341 1.3341 3.0865 3.0865 3.2320 3.2320 7.3181 7.3181 7.6294 7.6294 8.6060 8.6060 8.6989 8.6989 9.4413 9.4413 10.2503 10.2503 10.2631 10.2631 10.6911 10.6911 10.8117 10.8117 10.8734 10.8734 11.0138 11.0138 11.0735 11.0735 11.2513 11.2513 11.8885 11.8885 11.9959 11.9959 12.1074 12.1074 12.1282 12.1282 12.4722 12.4722 12.9540 12.9540 13.0731 13.0731 13.3768 13.3768 13.9336 13.9336 14.2363 14.2363 14.3619 14.3619 15.0772 15.0772 15.2228 15.2228 15.2571 15.2571 15.3130 15.3130 15.4472 15.4472 15.6985 15.6985 16.4722 16.4722 16.4773 16.4773 k = 0.0000 0.0000 0.6347 ( 3388 PWs) bands (ev): -11.6915 -11.6915 1.3341 1.3341 3.0865 3.0865 3.2320 3.2320 7.3181 7.3181 7.6294 7.6294 8.6060 8.6060 8.6989 8.6989 9.4413 9.4413 10.2503 10.2503 10.2631 10.2631 10.6911 10.6911 10.8117 10.8117 10.8734 10.8734 11.0138 11.0138 11.0735 11.0735 11.2513 11.2513 11.8885 11.8885 11.9959 11.9959 12.1074 12.1074 12.1282 12.1282 12.4722 12.4722 12.9540 12.9540 13.0731 13.0731 13.3768 13.3768 13.9336 13.9336 14.2363 14.2363 14.3619 14.3619 15.0772 15.0772 15.2228 15.2228 15.2571 15.2571 15.3130 15.3130 15.4472 15.4472 15.6985 15.6985 16.4722 16.4722 16.4773 16.4773 k = 0.0152 0.0087 0.6347 ( 3400 PWs) bands (ev): -11.6915 -11.6915 1.3341 1.3341 3.0866 3.0866 3.2319 3.2319 7.3198 7.3198 7.6303 7.6303 8.6066 8.6066 8.6995 8.6995 9.4433 9.4433 10.2504 10.2504 10.2630 10.2630 10.6904 10.6904 10.8062 10.8062 10.8757 10.8757 11.0130 11.0130 11.0711 11.0711 11.2519 11.2519 11.8892 11.8892 11.9933 11.9933 12.1016 12.1016 12.1379 12.1379 12.4747 12.4747 12.9524 12.9524 13.0715 13.0715 13.3743 13.3743 13.9301 13.9301 14.2342 14.2342 14.3594 14.3594 15.0676 15.0676 15.2203 15.2203 15.2518 15.2518 15.3190 15.3190 15.4484 15.4484 15.7049 15.7049 16.4780 16.4780 16.4839 16.4839 k = 0.0303 0.0175 0.6347 ( 3404 PWs) bands (ev): -11.6914 -11.6914 1.3342 1.3342 3.0871 3.0871 3.2317 3.2317 7.3249 7.3249 7.6328 7.6328 8.6083 8.6083 8.7014 8.7014 9.4492 9.4492 10.2506 10.2506 10.2624 10.2624 10.6881 10.6881 10.7923 10.7923 10.8803 10.8803 11.0106 11.0106 11.0643 11.0643 11.2537 11.2537 11.8910 11.8910 11.9871 11.9871 12.0933 12.0933 12.1566 12.1566 12.4822 12.4822 12.9474 12.9474 13.0667 13.0667 13.3670 13.3670 13.9196 13.9196 14.2282 14.2282 14.3522 14.3522 15.0386 15.0386 15.2117 15.2117 15.2394 15.2394 15.3356 15.3356 15.4518 15.4518 15.7240 15.7240 16.4932 16.4932 16.5054 16.5054 k = 0.0455 0.0262 0.6347 ( 3400 PWs) bands (ev): -11.6914 -11.6914 1.3344 1.3344 3.0878 3.0878 3.2313 3.2313 7.3334 7.3334 7.6371 7.6371 8.6112 8.6112 8.7045 8.7045 9.4590 9.4590 10.2509 10.2509 10.2618 10.2618 10.6835 10.6835 10.7739 10.7739 10.8842 10.8842 11.0063 11.0063 11.0536 11.0536 11.2566 11.2566 11.8932 11.8932 11.9804 11.9804 12.0861 12.0861 12.1781 12.1781 12.4947 12.4947 12.9390 12.9390 13.0592 13.0592 13.3548 13.3548 13.9026 13.9026 14.2192 14.2192 14.3412 14.3412 14.9913 14.9913 15.1869 15.1869 15.2318 15.2318 15.3618 15.3618 15.4565 15.4565 15.7546 15.7546 16.5167 16.5167 16.5406 16.5406 k = 0.0606 0.0350 0.6347 ( 3392 PWs) bands (ev): -11.6913 -11.6913 1.3346 1.3346 3.0888 3.0888 3.2307 3.2307 7.3452 7.3452 7.6430 7.6430 8.6153 8.6153 8.7089 8.7089 9.4724 9.4724 10.2510 10.2510 10.2612 10.2612 10.6746 10.6746 10.7547 10.7547 10.8858 10.8858 10.9994 10.9994 11.0401 11.0401 11.2604 11.2604 11.8945 11.8945 11.9760 11.9760 12.0798 12.0798 12.2002 12.2002 12.5123 12.5123 12.9266 12.9266 13.0494 13.0494 13.3379 13.3379 13.8798 13.8798 14.2079 14.2079 14.3275 14.3275 14.9291 14.9291 15.1449 15.1449 15.2297 15.2297 15.3980 15.3980 15.4613 15.4613 15.7950 15.7950 16.5485 16.5485 16.5871 16.5871 k = 0.0758 0.0437 0.6347 ( 3388 PWs) bands (ev): -11.6912 -11.6912 1.3349 1.3349 3.0901 3.0901 3.2301 3.2301 7.3603 7.3603 7.6507 7.6507 8.6204 8.6204 8.7146 8.7146 9.4893 9.4893 10.2503 10.2503 10.2612 10.2612 10.6589 10.6589 10.7385 10.7385 10.8845 10.8845 10.9892 10.9892 11.0254 11.0254 11.2650 11.2650 11.8940 11.8940 11.9755 11.9755 12.0750 12.0750 12.2211 12.2211 12.5346 12.5346 12.9102 12.9102 13.0378 13.0378 13.3166 13.3166 13.8522 13.8522 14.1955 14.1955 14.3124 14.3124 14.8553 14.8553 15.0915 15.0915 15.2280 15.2280 15.4435 15.4435 15.4647 15.4647 15.8435 15.8435 16.5880 16.5880 16.6424 16.6424 k = 0.0909 0.0525 0.6347 ( 3390 PWs) bands (ev): -11.6911 -11.6911 1.3353 1.3353 3.0917 3.0917 3.2293 3.2293 7.3786 7.3786 7.6599 7.6599 8.6265 8.6265 8.7217 8.7217 9.5093 9.5093 10.2484 10.2484 10.2623 10.2623 10.6347 10.6347 10.7275 10.7275 10.8799 10.8799 10.9747 10.9747 11.0110 11.0110 11.2702 11.2702 11.8915 11.8915 11.9779 11.9779 12.0730 12.0730 12.2400 12.2400 12.5612 12.5612 12.8895 12.8895 13.0247 13.0247 13.2914 13.2914 13.8211 13.8211 14.1825 14.1825 14.2969 14.2969 14.7727 14.7727 15.0298 15.0298 15.2251 15.2251 15.4658 15.4658 15.4970 15.4970 15.8984 15.8984 16.6344 16.6344 16.7047 16.7047 k = 0.1061 0.0612 0.6347 ( 3398 PWs) bands (ev): -11.6910 -11.6910 1.3358 1.3358 3.0934 3.0934 3.2284 3.2284 7.3999 7.3999 7.6709 7.6709 8.6337 8.6337 8.7301 8.7301 9.5321 9.5321 10.2454 10.2454 10.2644 10.2644 10.6032 10.6032 10.7211 10.7211 10.8716 10.8716 10.9565 10.9565 10.9977 10.9977 11.2760 11.2760 11.8880 11.8880 11.9801 11.9801 12.0759 12.0759 12.2562 12.2562 12.5916 12.5916 12.8644 12.8644 13.0102 13.0102 13.2629 13.2629 13.7879 13.7879 14.1694 14.1694 14.2816 14.2816 14.6836 14.6836 14.9620 14.9620 15.2208 15.2208 15.4639 15.4639 15.5565 15.5565 15.9583 15.9583 16.6871 16.6871 16.7721 16.7721 k = 0.1212 0.0700 0.6347 ( 3398 PWs) bands (ev): -11.6908 -11.6908 1.3363 1.3363 3.0954 3.0954 3.2276 3.2276 7.4243 7.4243 7.6834 7.6834 8.6419 8.6419 8.7399 8.7399 9.5571 9.5571 10.2414 10.2414 10.2672 10.2672 10.5667 10.5667 10.7174 10.7174 10.8593 10.8593 10.9360 10.9360 10.9855 10.9855 11.2824 11.2824 11.8840 11.8840 11.9793 11.9793 12.0856 12.0856 12.2694 12.2694 12.6246 12.6246 12.8353 12.8353 12.9940 12.9940 13.2322 13.2322 13.7539 13.7539 14.1568 14.1568 14.2670 14.2670 14.5904 14.5904 14.8900 14.8900 15.2153 15.2153 15.4589 15.4589 15.6201 15.6201 16.0218 16.0218 16.7455 16.7455 16.8433 16.8433 k = 0.1364 0.0787 0.6347 ( 3406 PWs) bands (ev): -11.6907 -11.6907 1.3368 1.3368 3.0975 3.0975 3.2267 3.2267 7.4515 7.4515 7.6976 7.6976 8.6511 8.6511 8.7510 8.7510 9.5837 9.5837 10.2366 10.2366 10.2707 10.2707 10.5270 10.5270 10.7154 10.7154 10.8427 10.8427 10.9147 10.9147 10.9741 10.9741 11.2892 11.2892 11.8801 11.8801 11.9746 11.9746 12.1019 12.1019 12.2798 12.2798 12.6590 12.6590 12.8023 12.8023 12.9753 12.9753 13.2009 13.2009 13.7204 13.7204 14.1448 14.1448 14.2524 14.2524 14.4955 14.4955 14.8150 14.8150 15.2085 15.2085 15.4508 15.4508 15.6859 15.6859 16.0882 16.0882 16.8090 16.8090 16.9172 16.9172 k = 0.1515 0.0875 0.6347 ( 3402 PWs) bands (ev): -11.6905 -11.6905 1.3374 1.3374 3.0998 3.0998 3.2258 3.2258 7.4814 7.4814 7.7133 7.7133 8.6614 8.6614 8.7635 8.7635 9.6110 9.6110 10.2309 10.2309 10.2748 10.2748 10.4854 10.4854 10.7146 10.7146 10.8220 10.8220 10.8937 10.8937 10.9636 10.9636 11.2964 11.2964 11.8759 11.8759 11.9670 11.9670 12.1232 12.1232 12.2872 12.2872 12.6927 12.6927 12.7666 12.7666 12.9535 12.9535 13.1707 13.1707 13.6884 13.6884 14.1339 14.1339 14.2361 14.2361 14.4025 14.4025 14.7383 14.7383 15.2003 15.2003 15.4397 15.4397 15.7520 15.7520 16.1572 16.1572 16.8770 16.8770 16.9928 16.9928 k = 0.1667 0.0962 0.6347 ( 3396 PWs) bands (ev): -11.6903 -11.6903 1.3381 1.3381 3.1021 3.1021 3.2251 3.2251 7.5138 7.5138 7.7305 7.7305 8.6729 8.6729 8.7772 8.7772 9.6382 9.6382 10.2245 10.2245 10.2790 10.2790 10.4431 10.4431 10.7145 10.7145 10.7981 10.7981 10.8731 10.8731 10.9544 10.9544 11.3039 11.3039 11.8711 11.8711 11.9580 11.9580 12.1475 12.1475 12.2920 12.2920 12.7088 12.7088 12.7430 12.7430 12.9283 12.9283 13.1439 13.1439 13.6587 13.6587 14.1239 14.1239 14.2111 14.2111 14.3200 14.3200 14.6612 14.6612 15.1908 15.1908 15.4259 15.4259 15.8165 15.8165 16.2288 16.2288 16.9489 16.9489 17.0695 17.0695 k = 0.1818 0.1050 0.6347 ( 3400 PWs) bands (ev): -11.6901 -11.6901 1.3388 1.3388 3.1045 3.1045 3.2244 3.2244 7.5484 7.5484 7.7492 7.7492 8.6856 8.6856 8.7921 8.7921 9.6640 9.6640 10.2172 10.2172 10.2829 10.2829 10.4018 10.4018 10.7153 10.7153 10.7719 10.7719 10.8532 10.8532 10.9463 10.9463 11.3117 11.3117 11.8650 11.8650 11.9489 11.9489 12.1730 12.1730 12.2943 12.2943 12.6704 12.6704 12.7657 12.7657 12.9014 12.9014 13.1221 13.1221 13.6317 13.6317 14.1140 14.1140 14.1604 14.1604 14.2669 14.2669 14.5852 14.5852 15.1795 15.1795 15.4099 15.4099 15.8774 15.8774 16.3033 16.3033 17.0244 17.0244 17.1466 17.1466 k = 0.1970 0.1137 0.6347 ( 3396 PWs) bands (ev): -11.6899 -11.6899 1.3395 1.3395 3.1070 3.1070 3.2239 3.2239 7.5849 7.5849 7.7694 7.7694 8.6998 8.6998 8.8080 8.8080 9.6869 9.6869 10.2093 10.2093 10.2844 10.2844 10.3647 10.3647 10.7167 10.7167 10.7446 10.7446 10.8343 10.8343 10.9395 10.9395 11.3198 11.3198 11.8568 11.8568 11.9405 11.9405 12.1984 12.1984 12.2941 12.2941 12.6178 12.6178 12.7889 12.7889 12.8776 12.8776 13.1063 13.1063 13.6079 13.6079 14.0761 14.0761 14.1146 14.1146 14.2406 14.2406 14.5126 14.5126 15.1661 15.1661 15.3924 15.3924 15.9329 15.9329 16.3814 16.3814 17.1029 17.1029 17.2234 17.2234 k = 0.2121 0.1225 0.6347 ( 3400 PWs) bands (ev): -11.6897 -11.6897 1.3403 1.3403 3.1094 3.1094 3.2235 3.2235 7.6231 7.6231 7.7909 7.7909 8.7156 8.7156 8.8249 8.8249 9.7051 9.7051 10.2007 10.2007 10.2772 10.2772 10.3391 10.3391 10.7156 10.7156 10.7203 10.7203 10.8169 10.8169 10.9338 10.9338 11.3280 11.3280 11.8459 11.8459 11.9334 11.9334 12.2221 12.2221 12.2917 12.2917 12.5565 12.5565 12.7963 12.7963 12.8684 12.8684 13.0968 13.0968 13.5872 13.5872 13.9975 13.9975 14.1067 14.1067 14.2194 14.2194 14.4473 14.4473 15.1501 15.1501 15.3741 15.3741 15.9814 15.9814 16.4635 16.4635 17.1838 17.1838 17.2996 17.2996 k = 0.2273 0.1312 0.6347 ( 3396 PWs) bands (ev): -11.6895 -11.6895 1.3411 1.3411 3.1117 3.1117 3.2234 3.2234 7.6626 7.6626 7.8137 7.8137 8.7331 8.7331 8.8428 8.8428 9.7167 9.7167 10.1917 10.1917 10.2553 10.2553 10.3319 10.3319 10.6897 10.6897 10.7224 10.7224 10.8017 10.8017 10.9291 10.9291 11.3365 11.3365 11.8320 11.8320 11.9276 11.9276 12.2427 12.2427 12.2872 12.2872 12.4866 12.4866 12.7856 12.7856 12.8767 12.8767 13.0939 13.0939 13.5695 13.5695 13.9202 13.9202 14.1023 14.1023 14.1908 14.1908 14.3960 14.3960 15.1310 15.1310 15.3556 15.3556 16.0218 16.0218 16.5500 16.5500 17.2666 17.2666 17.3746 17.3746 k = 0.2424 0.1400 0.6347 ( 3400 PWs) bands (ev): -11.6893 -11.6893 1.3419 1.3419 3.1140 3.1140 3.2234 3.2234 7.7030 7.7030 7.8378 7.8378 8.7525 8.7525 8.8615 8.8615 9.7199 9.7199 10.1826 10.1826 10.2270 10.2270 10.3355 10.3355 10.6642 10.6642 10.7264 10.7264 10.7893 10.7893 10.9253 10.9253 11.3452 11.3452 11.8154 11.8154 11.9228 11.9228 12.2580 12.2580 12.2812 12.2812 12.4089 12.4089 12.7712 12.7712 12.8891 12.8891 13.0979 13.0979 13.5544 13.5544 13.8494 13.8494 14.0990 14.0990 14.1480 14.1480 14.3645 14.3645 15.1085 15.1085 15.3379 15.3379 16.0536 16.0536 16.6407 16.6407 17.3510 17.3510 17.4481 17.4481 k = 0.2576 0.1487 0.6347 ( 3400 PWs) bands (ev): -11.6890 -11.6890 1.3427 1.3427 3.1162 3.1162 3.2236 3.2236 7.7438 7.7438 7.8629 7.8629 8.7738 8.7738 8.8812 8.8812 9.7136 9.7136 10.1735 10.1735 10.1994 10.1994 10.3432 10.3432 10.6409 10.6409 10.7317 10.7317 10.7804 10.7804 10.9224 10.9224 11.3540 11.3540 11.7963 11.7963 11.9183 11.9183 12.2613 12.2613 12.2742 12.2742 12.3300 12.3300 12.7602 12.7602 12.8985 12.8985 13.1083 13.1083 13.5411 13.5411 13.7871 13.7871 14.0841 14.0841 14.1040 14.1040 14.3521 14.3521 15.0822 15.0822 15.3214 15.3214 16.0765 16.0765 16.7352 16.7352 17.4361 17.4361 17.5197 17.5197 k = 0.2727 0.1575 0.6347 ( 3406 PWs) bands (ev): -11.6888 -11.6888 1.3435 1.3435 3.1182 3.1182 3.2241 3.2241 7.7846 7.7846 7.8890 7.8890 8.7971 8.7971 8.9018 8.9018 9.6976 9.6976 10.1644 10.1644 10.1740 10.1740 10.3525 10.3525 10.6205 10.6205 10.7382 10.7382 10.7759 10.7759 10.9201 10.9201 11.3630 11.3630 11.7747 11.7747 11.9135 11.9135 12.2135 12.2135 12.2587 12.2587 12.2982 12.2982 12.7540 12.7540 12.9041 12.9041 13.1241 13.1241 13.5291 13.5291 13.7345 13.7345 14.0226 14.0226 14.0997 14.0997 14.3531 14.3531 15.0521 15.0521 15.3066 15.3066 16.0907 16.0907 16.8331 16.8331 17.5216 17.5216 17.5891 17.5891 k = 0.2879 0.1662 0.6347 ( 3406 PWs) bands (ev): -11.6886 -11.6886 1.3443 1.3443 3.1201 3.1201 3.2248 3.2248 7.8248 7.8248 7.9161 7.9161 8.8220 8.8220 8.9240 8.9240 9.6728 9.6728 10.1508 10.1508 10.1549 10.1549 10.3627 10.3627 10.6033 10.6033 10.7453 10.7453 10.7769 10.7769 10.9184 10.9184 11.3722 11.3722 11.7508 11.7508 11.9081 11.9081 12.1205 12.1205 12.2451 12.2451 12.2995 12.2995 12.7510 12.7510 12.9077 12.9077 13.1438 13.1438 13.5174 13.5174 13.6924 13.6924 13.9545 13.9545 14.0998 14.0998 14.3631 14.3631 15.0186 15.0186 15.2935 15.2935 16.0965 16.0965 16.9337 16.9337 17.6065 17.6065 17.6561 17.6561 k = 0.3030 0.1750 0.6347 ( 3402 PWs) bands (ev): -11.6884 -11.6884 1.3451 1.3451 3.1218 3.1218 3.2256 3.2256 7.8639 7.8639 7.9438 7.9438 8.8480 8.8480 8.9482 8.9482 9.6408 9.6408 10.1290 10.1290 10.1439 10.1439 10.3735 10.3735 10.5895 10.5895 10.7518 10.7518 10.7849 10.7849 10.9173 10.9173 11.3815 11.3815 11.7240 11.7240 11.9015 11.9015 12.0214 12.0214 12.2297 12.2297 12.3023 12.3023 12.7491 12.7491 12.9114 12.9114 13.1656 13.1656 13.5057 13.5057 13.6611 13.6611 13.8858 13.8858 14.1008 14.1008 14.3794 14.3794 14.9822 14.9822 15.2822 15.2822 16.0945 16.0945 17.0362 17.0362 17.6891 17.6891 17.7215 17.7215 k = 0.3182 0.1837 0.6347 ( 3398 PWs) bands (ev): -11.6882 -11.6882 1.3459 1.3459 3.1234 3.1234 3.2266 3.2266 7.9014 7.9014 7.9720 7.9720 8.8741 8.8741 8.9756 8.9756 9.6037 9.6037 10.1082 10.1082 10.1312 10.1312 10.3847 10.3847 10.5787 10.5787 10.7575 10.7575 10.8000 10.8000 10.9168 10.9168 11.3909 11.3909 11.6932 11.6932 11.8897 11.8897 11.9260 11.9260 12.2121 12.2121 12.3047 12.3047 12.7456 12.7456 12.9174 12.9174 13.1883 13.1883 13.4941 13.4941 13.6399 13.6399 13.8186 13.8186 14.1026 14.1026 14.4002 14.4002 14.9437 14.9437 15.2724 15.2724 16.0853 16.0853 17.1399 17.1399 17.7645 17.7645 17.7895 17.7895 k = 0.3333 0.1925 0.6347 ( 3390 PWs) bands (ev): -11.6880 -11.6880 1.3467 1.3467 3.1248 3.1248 3.2278 3.2278 7.9368 7.9368 8.0006 8.0006 8.8988 8.8988 9.0072 9.0072 9.5634 9.5634 10.0877 10.0877 10.1164 10.1164 10.3962 10.3962 10.5705 10.5705 10.7630 10.7630 10.8206 10.8206 10.9173 10.9173 11.4002 11.4002 11.6553 11.6553 11.8208 11.8208 11.8918 11.8918 12.1927 12.1927 12.3073 12.3073 12.7389 12.7389 12.9266 12.9266 13.2109 13.2109 13.4830 13.4830 13.6273 13.6273 13.7542 13.7542 14.1050 14.1050 14.4241 14.4241 14.9043 14.9043 15.2640 15.2640 16.0695 16.0695 17.2439 17.2439 17.8264 17.8264 17.8650 17.8650 k = 0.3485 0.2012 0.6347 ( 3384 PWs) bands (ev): -11.6878 -11.6878 1.3474 1.3474 3.1260 3.1260 3.2290 3.2290 7.9697 7.9697 8.0292 8.0292 8.9213 8.9213 9.0439 9.0439 9.5216 9.5216 10.0674 10.0674 10.0999 10.0999 10.4077 10.4077 10.5647 10.5647 10.7690 10.7690 10.8437 10.8437 10.9199 10.9199 11.4088 11.4088 11.6037 11.6037 11.7406 11.7406 11.8823 11.8823 12.1718 12.1718 12.3105 12.3105 12.7287 12.7287 12.9391 12.9391 13.2330 13.2330 13.4723 13.4723 13.6219 13.6219 13.6941 13.6941 14.1082 14.1082 14.4494 14.4494 14.8655 14.8655 15.2567 15.2567 16.0478 16.0478 17.3473 17.3473 17.8799 17.8799 17.9422 17.9422 k = 0.3636 0.2099 0.6347 ( 3384 PWs) bands (ev): -11.6876 -11.6876 1.3481 1.3481 3.1271 3.1271 3.2303 3.2303 7.9999 7.9999 8.0575 8.0575 8.9410 8.9410 9.0857 9.0857 9.4798 9.4798 10.0471 10.0471 10.0822 10.0822 10.4189 10.4189 10.5610 10.5610 10.7755 10.7755 10.8647 10.8647 10.9279 10.9279 11.4145 11.4145 11.5345 11.5345 11.6808 11.6808 11.8736 11.8736 12.1498 12.1498 12.3146 12.3146 12.7155 12.7155 12.9540 12.9540 13.2541 13.2541 13.4604 13.4604 13.6201 13.6201 13.6428 13.6428 14.1122 14.1122 14.4735 14.4735 14.8295 14.8295 15.2504 15.2504 16.0212 16.0212 17.4492 17.4492 17.9278 17.9278 18.0172 18.0172 k = 0.3788 0.2187 0.6347 ( 3392 PWs) bands (ev): -11.6875 -11.6875 1.3488 1.3488 3.1281 3.1281 3.2315 3.2315 8.0270 8.0270 8.0852 8.0852 8.9580 8.9580 9.1314 9.1314 9.4396 9.4396 10.0265 10.0265 10.0643 10.0643 10.4291 10.4291 10.5596 10.5596 10.7824 10.7824 10.8770 10.8770 10.9466 10.9466 11.4016 11.4016 11.4703 11.4703 11.6370 11.6370 11.8654 11.8654 12.1270 12.1270 12.3196 12.3196 12.7004 12.7004 12.9704 12.9704 13.2744 13.2744 13.4445 13.4445 13.5893 13.5893 13.6345 13.6345 14.1173 14.1173 14.4929 14.4929 14.7997 14.7997 15.2451 15.2451 15.9905 15.9905 17.5483 17.5483 17.9706 17.9706 18.0883 18.0883 k = 0.3939 0.2274 0.6347 ( 3392 PWs) bands (ev): -11.6873 -11.6873 1.3493 1.3493 3.1289 3.1289 3.2328 3.2328 8.0509 8.0509 8.1117 8.1117 8.9725 8.9725 9.1792 9.1792 9.4027 9.4027 10.0055 10.0055 10.0470 10.0470 10.4377 10.4377 10.5607 10.5607 10.7896 10.7896 10.8801 10.8801 10.9750 10.9750 11.3356 11.3356 11.4566 11.4566 11.6005 11.6005 11.8579 11.8579 12.1041 12.1041 12.3256 12.3256 12.6844 12.6844 12.9875 12.9875 13.2941 13.2941 13.4216 13.4216 13.5538 13.5538 13.6464 13.6464 14.1235 14.1235 14.5025 14.5025 14.7806 14.7806 15.2404 15.2404 15.9571 15.9571 17.6434 17.6434 18.0084 18.0084 18.1545 18.1545 k = 0.4091 0.2362 0.6347 ( 3396 PWs) bands (ev): -11.6872 -11.6872 1.3499 1.3499 3.1296 3.1296 3.2339 3.2339 8.0715 8.0715 8.1366 8.1366 8.9848 8.9848 9.2249 9.2249 9.3730 9.3730 9.9838 9.9838 10.0309 10.0309 10.4440 10.4440 10.5645 10.5645 10.7969 10.7969 10.8777 10.8777 11.0079 11.0079 11.2543 11.2543 11.4615 11.4615 11.5673 11.5673 11.8514 11.8514 12.0816 12.0816 12.3321 12.3321 12.6684 12.6684 13.0049 13.0049 13.3131 13.3131 13.3915 13.3915 13.5276 13.5276 13.6632 13.6632 14.1313 14.1313 14.4984 14.4984 14.7760 14.7760 15.2365 15.2365 15.9221 15.9221 17.7329 17.7329 18.0408 18.0408 18.2149 18.2149 k = 0.4242 0.2449 0.6347 ( 3404 PWs) bands (ev): -11.6871 -11.6871 1.3503 1.3503 3.1301 3.1301 3.2350 3.2350 8.0889 8.0889 8.1593 8.1593 8.9951 8.9951 9.2573 9.2573 9.3608 9.3608 9.9617 9.9617 10.0167 10.0167 10.4477 10.4477 10.5711 10.5711 10.8039 10.8039 10.8720 10.8720 11.0413 11.0413 11.1784 11.1784 11.4685 11.4685 11.5363 11.5363 11.8462 11.8462 12.0602 12.0602 12.3390 12.3390 12.6532 12.6532 13.0225 13.0225 13.3297 13.3297 13.3593 13.3593 13.5080 13.5080 13.6823 13.6823 14.1407 14.1407 14.4807 14.4807 14.7849 14.7849 15.2333 15.2333 15.8873 15.8873 17.8150 17.8150 18.0676 18.0676 18.2686 18.2686 k = 0.4394 0.2537 0.6347 ( 3400 PWs) bands (ev): -11.6870 -11.6870 1.3507 1.3507 3.1306 3.1306 3.2359 3.2359 8.1030 8.1030 8.1792 8.1792 9.0036 9.0036 9.2610 9.2610 9.3802 9.3802 9.9394 9.9394 10.0048 10.0048 10.4490 10.4490 10.5798 10.5798 10.8103 10.8103 10.8636 10.8636 11.0690 11.0690 11.1174 11.1174 11.4745 11.4745 11.5081 11.5081 11.8425 11.8425 12.0406 12.0406 12.3456 12.3456 12.6394 12.6394 13.0400 13.0400 13.3170 13.3170 13.3560 13.3560 13.4917 13.4917 13.7017 13.7017 14.1520 14.1520 14.4541 14.4541 14.8022 14.8022 15.2307 15.2307 15.8544 15.8544 17.8878 17.8878 18.0886 18.0886 18.3145 18.3145 k = 0.4545 0.2624 0.6347 ( 3404 PWs) bands (ev): -11.6869 -11.6869 1.3510 1.3510 3.1309 3.1309 3.2366 3.2366 8.1139 8.1139 8.1955 8.1955 9.0101 9.0101 9.2483 9.2483 9.4168 9.4168 9.9178 9.9178 9.9953 9.9953 10.4487 10.4487 10.5897 10.5897 10.8154 10.8154 10.8531 10.8531 11.0498 11.0498 11.1140 11.1140 11.4717 11.4717 11.4903 11.4903 11.8402 11.8402 12.0238 12.0238 12.3516 12.3516 12.6278 12.6278 13.0570 13.0570 13.2859 13.2859 13.3732 13.3732 13.4765 13.4765 13.7194 13.7194 14.1647 14.1647 14.4243 14.4243 14.8219 14.8219 15.2286 15.2286 15.8256 15.8256 17.9492 17.9492 18.1034 18.1034 18.3517 18.3517 k = 0.4697 0.2712 0.6347 ( 3404 PWs) bands (ev): -11.6869 -11.6869 1.3512 1.3512 3.1311 3.1311 3.2372 3.2372 8.1216 8.1216 8.2077 8.2077 9.0148 9.0148 9.2348 9.2348 9.4521 9.4521 9.8989 9.8989 9.9883 9.9883 10.4475 10.4475 10.5993 10.5993 10.8179 10.8179 10.8427 10.8427 11.0151 11.0151 11.1367 11.1367 11.4539 11.4539 11.4906 11.4906 11.8391 11.8391 12.0107 12.0107 12.3564 12.3564 12.6190 12.6190 13.0727 13.0727 13.2587 13.2587 13.3911 13.3911 13.4615 13.4615 13.7336 13.7336 14.1779 14.1779 14.3965 14.3965 14.8395 14.8395 15.2272 15.2272 15.8028 15.8028 17.9971 17.9971 18.1120 18.1120 18.3792 18.3792 k = 0.4848 0.2799 0.6347 ( 3404 PWs) bands (ev): -11.6869 -11.6869 1.3513 1.3513 3.1313 3.1313 3.2375 3.2375 8.1263 8.1263 8.2153 8.2153 9.0177 9.0177 9.2257 9.2257 9.4771 9.4771 9.8853 9.8853 9.9842 9.9842 10.4464 10.4464 10.6066 10.6066 10.8164 10.8164 10.8369 10.8369 10.9941 10.9941 11.1534 11.1534 11.4393 11.4393 11.4928 11.4928 11.8387 11.8387 12.0023 12.0023 12.3596 12.3596 12.6134 12.6134 13.0846 13.0846 13.2394 13.2394 13.4080 13.4080 13.4466 13.4466 13.7427 13.7427 14.1887 14.1887 14.3759 14.3759 14.8514 14.8514 15.2263 15.2263 15.7882 15.7882 18.0286 18.0286 18.1151 18.1151 18.3961 18.3961 k = 0.5000 0.2887 0.6347 ( 3388 PWs) bands (ev): -11.6869 -11.6869 1.3514 1.3514 3.1313 3.1313 3.2376 3.2376 8.1278 8.1278 8.2178 8.2178 9.0186 9.0186 9.2225 9.2225 9.4861 9.4861 9.8803 9.8803 9.9828 9.9828 10.4459 10.4459 10.6093 10.6093 10.8145 10.8145 10.8356 10.8356 10.9872 10.9872 11.1595 11.1595 11.4339 11.4339 11.4937 11.4937 11.8387 11.8387 11.9994 11.9994 12.3607 12.3607 12.6115 12.6115 13.0893 13.0893 13.2322 13.2322 13.4185 13.4185 13.4368 13.4368 13.7459 13.7459 14.1931 14.1931 14.3681 14.3681 14.8556 14.8556 15.2260 15.2260 15.7832 15.7832 18.0400 18.0400 18.1155 18.1155 18.4018 18.4018 k = 0.5000 0.2887 0.6347 ( 3388 PWs) bands (ev): -11.6869 -11.6869 1.3514 1.3514 3.1313 3.1313 3.2376 3.2376 8.1278 8.1278 8.2178 8.2178 9.0186 9.0186 9.2225 9.2225 9.4861 9.4861 9.8803 9.8803 9.9828 9.9828 10.4459 10.4459 10.6093 10.6093 10.8145 10.8145 10.8356 10.8356 10.9872 10.9872 11.1595 11.1595 11.4339 11.4339 11.4937 11.4937 11.8387 11.8387 11.9994 11.9994 12.3607 12.3607 12.6115 12.6115 13.0893 13.0893 13.2322 13.2322 13.4185 13.4185 13.4368 13.4368 13.7459 13.7459 14.1931 14.1931 14.3681 14.3681 14.8556 14.8556 15.2260 15.2260 15.7832 15.7832 18.0400 18.0400 18.1155 18.1155 18.4018 18.4018 k = 0.4917 0.3031 0.6347 ( 3400 PWs) bands (ev): -11.6869 -11.6869 1.3514 1.3514 3.1315 3.1315 3.2375 3.2375 8.1299 8.1299 8.2190 8.2190 9.0187 9.0187 9.2206 9.2206 9.4848 9.4848 9.8809 9.8809 9.9832 9.9832 10.4402 10.4402 10.6105 10.6105 10.8053 10.8053 10.8247 10.8247 11.0039 11.0039 11.1631 11.1631 11.4220 11.4220 11.5082 11.5082 11.8363 11.8363 12.0063 12.0063 12.3603 12.3603 12.6124 12.6124 13.0889 13.0889 13.2321 13.2321 13.4099 13.4099 13.4455 13.4455 13.7452 13.7452 14.1891 14.1891 14.3681 14.3681 14.8597 14.8597 15.2227 15.2227 15.7836 15.7836 18.0274 18.0274 18.1090 18.1090 18.4153 18.4153 k = 0.4833 0.3175 0.6347 ( 3396 PWs) bands (ev): -11.6868 -11.6868 1.3515 1.3515 3.1320 3.1320 3.2371 3.2371 8.1361 8.1361 8.2225 8.2225 9.0190 9.0190 9.2151 9.2151 9.4808 9.4808 9.8827 9.8827 9.9844 9.9844 10.4242 10.4242 10.6129 10.6129 10.7778 10.7778 10.8044 10.8044 11.0431 11.0431 11.1711 11.1711 11.4031 11.4031 11.5361 11.5361 11.8307 11.8307 12.0256 12.0256 12.3593 12.3593 12.6148 12.6148 13.0879 13.0879 13.2318 13.2318 13.3961 13.3961 13.4593 13.4593 13.7430 13.7430 14.1780 14.1780 14.3675 14.3675 14.8718 14.8718 15.2128 15.2128 15.7846 15.7846 17.9943 17.9943 18.0886 18.0886 18.4524 18.4524 k = 0.4750 0.3320 0.6347 ( 3412 PWs) bands (ev): -11.6868 -11.6868 1.3516 1.3516 3.1329 3.1329 3.2365 3.2365 8.1464 8.1464 8.2283 8.2283 9.0193 9.0193 9.2059 9.2059 9.4742 9.4742 9.8858 9.8858 9.9863 9.9863 10.4002 10.4002 10.6134 10.6134 10.7408 10.7408 10.7826 10.7826 11.0921 11.0921 11.1768 11.1768 11.3915 11.3915 11.5659 11.5659 11.8257 11.8257 12.0539 12.0539 12.3577 12.3577 12.6188 12.6188 13.0860 13.0860 13.2311 13.2311 13.3821 13.3821 13.4733 13.4733 13.7394 13.7394 14.1615 14.1615 14.3652 14.3652 14.8913 14.8913 15.1968 15.1968 15.7865 15.7865 17.9473 17.9473 18.0560 18.0560 18.5063 18.5063 k = 0.4667 0.3464 0.6347 ( 3408 PWs) bands (ev): -11.6868 -11.6868 1.3518 1.3518 3.1341 3.1341 3.2357 3.2357 8.1608 8.1608 8.2364 8.2364 9.0197 9.0197 9.1932 9.1932 9.4653 9.4653 9.8900 9.8900 9.9890 9.9890 10.3707 10.3707 10.6088 10.6088 10.7015 10.7015 10.7619 10.7619 11.1438 11.1438 11.1756 11.1756 11.3930 11.3930 11.5939 11.5939 11.8247 11.8247 12.0884 12.0884 12.3556 12.3556 12.6242 12.6242 13.0832 13.0832 13.2303 13.2303 13.3686 13.3686 13.4865 13.4865 13.7342 13.7342 14.1415 14.1415 14.3602 14.3602 14.9174 14.9174 15.1754 15.1754 15.7891 15.7891 17.8889 17.8889 18.0162 18.0162 18.5713 18.5713 k = 0.4583 0.3608 0.6347 ( 3406 PWs) bands (ev): -11.6868 -11.6868 1.3520 1.3520 3.1357 3.1357 3.2347 3.2347 8.1791 8.1791 8.2469 8.2469 9.0199 9.0199 9.1771 9.1771 9.4541 9.4541 9.8952 9.8952 9.9923 9.9923 10.3375 10.3375 10.5965 10.5965 10.6621 10.6621 10.7456 10.7456 11.1539 11.1539 11.2080 11.2080 11.4067 11.4067 11.6187 11.6187 11.8304 11.8304 12.1270 12.1270 12.3532 12.3532 12.6307 12.6307 13.0795 13.0795 13.2291 13.2291 13.3560 13.3560 13.4984 13.4984 13.7277 13.7277 14.1192 14.1192 14.3527 14.3527 14.9486 14.9486 15.1499 15.1499 15.7927 15.7927 17.8186 17.8186 17.9754 17.9754 18.6440 18.6440 k = 0.4500 0.3753 0.6347 ( 3402 PWs) bands (ev): -11.6868 -11.6868 1.3522 1.3522 3.1375 3.1375 3.2334 3.2334 8.2012 8.2012 8.2598 8.2598 9.0197 9.0197 9.1579 9.1579 9.4410 9.4410 9.9012 9.9012 9.9961 9.9961 10.3021 10.3021 10.5763 10.5763 10.6232 10.6232 10.7350 10.7350 11.1330 11.1330 11.2657 11.2657 11.4267 11.4267 11.6405 11.6405 11.8443 11.8443 12.1681 12.1681 12.3509 12.3509 12.6382 12.6382 13.0747 13.0747 13.2275 13.2275 13.3445 13.3445 13.5081 13.5081 13.7204 13.7204 14.0950 14.0950 14.3432 14.3432 14.9818 14.9818 15.1232 15.1232 15.7972 15.7972 17.7363 17.7363 17.9380 17.9380 18.7224 18.7224 k = 0.4417 0.3897 0.6347 ( 3398 PWs) bands (ev): -11.6867 -11.6867 1.3525 1.3525 3.1396 3.1396 3.2319 3.2319 8.2270 8.2270 8.2751 8.2751 9.0187 9.0187 9.1358 9.1358 9.4263 9.4263 9.9080 9.9080 10.0003 10.0003 10.2656 10.2656 10.5505 10.5505 10.5851 10.5851 10.7287 10.7287 11.1078 11.1078 11.3253 11.3253 11.4466 11.4466 11.6613 11.6613 11.8660 11.8660 12.2101 12.2101 12.3491 12.3491 12.6465 12.6465 13.0689 13.0689 13.2252 13.2252 13.3343 13.3343 13.5149 13.5149 13.7133 13.7133 14.0688 14.0688 14.3334 14.3334 15.0076 15.0076 15.1046 15.1046 15.8028 15.8028 17.6437 17.6437 17.9054 17.9054 18.8053 18.8053 k = 0.4333 0.4041 0.6347 ( 3406 PWs) bands (ev): -11.6867 -11.6867 1.3528 1.3528 3.1420 3.1420 3.2303 3.2303 8.2559 8.2559 8.2931 8.2931 9.0164 9.0164 9.1111 9.1111 9.4106 9.4106 9.9152 9.9152 10.0048 10.0048 10.2292 10.2292 10.5220 10.5220 10.5478 10.5478 10.7244 10.7244 11.0821 11.0821 11.3842 11.3842 11.4626 11.4626 11.6847 11.6847 11.8935 11.8935 12.2507 12.2507 12.3491 12.3491 12.6553 12.6553 13.0622 13.0622 13.2219 13.2219 13.3255 13.3255 13.5178 13.5178 13.7074 13.7074 14.0399 14.0399 14.3248 14.3248 15.0040 15.0040 15.1159 15.1159 15.8096 15.8096 17.5432 17.5432 17.8780 17.8780 18.8920 18.8920 k = 0.4250 0.4186 0.6347 ( 3410 PWs) bands (ev): -11.6866 -11.6866 1.3532 1.3532 3.1445 3.1445 3.2284 3.2284 8.2871 8.2871 8.3144 8.3144 9.0121 9.0121 9.0844 9.0844 9.3942 9.3942 9.9224 9.9224 10.0094 10.0094 10.1938 10.1938 10.4929 10.4929 10.5114 10.5114 10.7203 10.7203 11.0579 11.0579 11.4348 11.4348 11.4792 11.4792 11.7126 11.7126 11.9245 11.9245 12.2856 12.2856 12.3547 12.3547 12.6645 12.6645 13.0546 13.0546 13.2170 13.2170 13.3181 13.3181 13.5161 13.5161 13.7039 13.7039 14.0078 14.0078 14.3188 14.3188 14.9746 14.9746 15.1540 15.1540 15.8175 15.8175 17.4371 17.4371 17.8552 17.8552 18.9820 18.9820 k = 0.4167 0.4330 0.6347 ( 3406 PWs) bands (ev): -11.6866 -11.6866 1.3535 1.3535 3.1473 3.1473 3.2265 3.2265 8.3184 8.3184 8.3411 8.3411 9.0045 9.0045 9.0567 9.0567 9.3779 9.3779 9.9291 9.9291 10.0140 10.0140 10.1607 10.1607 10.4647 10.4647 10.4760 10.4760 10.7153 10.7153 11.0365 11.0365 11.4525 11.4525 11.5211 11.5211 11.7450 11.7450 11.9568 11.9568 12.3070 12.3070 12.3732 12.3732 12.6738 12.6738 13.0464 13.0464 13.2100 13.2100 13.3123 13.3123 13.5101 13.5101 13.7033 13.7033 13.9728 13.9728 14.3163 14.3163 14.9365 14.9365 15.2017 15.2017 15.8267 15.8267 17.3278 17.3278 17.8366 17.8366 19.0750 19.0750 k = 0.4083 0.4474 0.6347 ( 3402 PWs) bands (ev): -11.6866 -11.6866 1.3538 1.3538 3.1502 3.1502 3.2244 3.2244 8.3473 8.3473 8.3752 8.3752 8.9908 8.9908 9.0304 9.0304 9.3624 9.3624 9.9342 9.9342 10.0182 10.0182 10.1313 10.1313 10.4373 10.4373 10.4424 10.4424 10.7089 10.7089 11.0187 11.0187 11.4493 11.4493 11.5773 11.5773 11.7804 11.7804 11.9882 11.9882 12.3149 12.3149 12.4040 12.4040 12.6833 12.6833 13.0377 13.0377 13.2004 13.2004 13.3080 13.3080 13.5005 13.5005 13.7049 13.7049 13.9361 13.9361 14.3176 14.3176 14.8958 14.8958 15.2533 15.2533 15.8370 15.8370 17.2173 17.2173 17.8218 17.8218 19.1708 19.1708 k = 0.4000 0.4619 0.6347 ( 3406 PWs) bands (ev): -11.6865 -11.6865 1.3542 1.3542 3.1531 3.1531 3.2222 3.2222 8.3752 8.3752 8.4152 8.4152 8.9679 8.9679 9.0084 9.0084 9.3483 9.3483 9.9363 9.9363 10.0220 10.0220 10.1074 10.1074 10.4060 10.4060 10.4161 10.4161 10.7009 10.7009 11.0048 11.0048 11.4400 11.4400 11.6345 11.6345 11.8172 11.8172 12.0171 12.0171 12.3178 12.3178 12.4387 12.4387 12.6927 12.6927 13.0283 13.0283 13.1878 13.1878 13.3050 13.3050 13.4885 13.4885 13.7076 13.7076 13.8995 13.8995 14.3223 14.3223 14.8547 14.8547 15.3070 15.3070 15.8481 15.8481 17.1073 17.1073 17.8102 17.8102 19.2691 19.2691 k = 0.3917 0.4763 0.6347 ( 3410 PWs) bands (ev): -11.6865 -11.6865 1.3545 1.3545 3.1561 3.1561 3.2201 3.2201 8.4038 8.4038 8.4585 8.4585 8.9370 8.9370 8.9891 8.9891 9.3363 9.3363 9.9340 9.9340 10.0249 10.0249 10.0912 10.0912 10.3733 10.3733 10.3951 10.3951 10.6917 10.6917 10.9948 10.9948 11.4280 11.4280 11.6900 11.6900 11.8538 11.8538 12.0418 12.0418 12.3201 12.3201 12.4734 12.4734 12.7019 12.7019 13.0179 13.0179 13.1722 13.1722 13.3032 13.3032 13.4755 13.4755 13.7096 13.7096 13.8660 13.8660 14.3298 14.3298 14.8143 14.8143 15.3619 15.3619 15.8595 15.8595 16.9999 16.9999 17.8016 17.8016 19.3699 19.3699 k = 0.3833 0.4907 0.6347 ( 3410 PWs) bands (ev): -11.6864 -11.6864 1.3548 1.3548 3.1590 3.1590 3.2179 3.2179 8.4340 8.4340 8.5040 8.5040 8.9020 8.9020 8.9687 8.9687 9.3266 9.3266 9.9263 9.9263 10.0270 10.0270 10.0840 10.0840 10.3413 10.3413 10.3775 10.3775 10.6817 10.6817 10.9883 10.9883 11.4150 11.4150 11.7427 11.7427 11.8891 11.8891 12.0608 12.0608 12.3230 12.3230 12.5071 12.5071 12.7104 12.7104 13.0053 13.0053 13.1547 13.1547 13.3025 13.3025 13.4624 13.4624 13.7090 13.7090 13.8387 13.8387 14.3393 14.3393 14.7757 14.7757 15.4173 15.4173 15.8703 15.8703 16.8974 16.8974 17.7953 17.7953 19.4731 19.4731 k = 0.3750 0.5052 0.6347 ( 3410 PWs) bands (ev): -11.6864 -11.6864 1.3551 1.3551 3.1617 3.1617 3.2158 3.2158 8.4657 8.4657 8.5508 8.5508 8.8649 8.8649 8.9453 8.9453 9.3196 9.3196 9.9143 9.9143 10.0281 10.0281 10.0851 10.0851 10.3102 10.3102 10.3632 10.3632 10.6717 10.6717 10.9847 10.9847 11.4020 11.4020 11.7919 11.7919 11.9218 11.9218 12.0734 12.0734 12.3266 12.3266 12.5406 12.5406 12.7181 12.7181 12.9885 12.9885 13.1371 13.1371 13.3026 13.3026 13.4497 13.4497 13.7049 13.7049 13.8197 13.8197 14.3498 14.3498 14.7399 14.7399 15.4727 15.4727 15.8787 15.8787 16.8024 16.8024 17.7910 17.7910 19.5785 19.5785 k = 0.3667 0.5196 0.6347 ( 3410 PWs) bands (ev): -11.6864 -11.6864 1.3553 1.3553 3.1642 3.1642 3.2139 3.2139 8.4991 8.4991 8.5980 8.5980 8.8269 8.8269 8.9185 8.9185 9.3150 9.3150 9.9004 9.9004 10.0284 10.0284 10.0923 10.0923 10.2803 10.2803 10.3522 10.3522 10.6623 10.6623 10.9833 10.9833 11.3900 11.3900 11.8366 11.8366 11.9505 11.9505 12.0797 12.0797 12.3301 12.3301 12.5745 12.5745 12.7244 12.7244 12.9651 12.9651 13.1224 13.1224 13.3035 13.3035 13.4381 13.4381 13.6983 13.6983 13.8088 13.8088 14.3606 14.3606 14.7079 14.7079 15.5275 15.5275 15.8827 15.8827 16.7181 16.7181 17.7883 17.7883 19.6861 19.6861 k = 0.3583 0.5340 0.6347 ( 3402 PWs) bands (ev): -11.6863 -11.6863 1.3555 1.3555 3.1664 3.1664 3.2122 3.2122 8.5339 8.5339 8.6443 8.6443 8.7889 8.7889 8.8884 8.8884 9.3123 9.3123 9.8872 9.8872 10.0283 10.0283 10.1037 10.1037 10.2520 10.2520 10.3442 10.3442 10.6544 10.6544 10.9833 10.9833 11.3796 11.3796 11.8762 11.8762 11.9734 11.9734 12.0811 12.0811 12.3329 12.3329 12.6093 12.6093 12.7295 12.7295 12.9343 12.9343 13.1123 13.1123 13.3047 13.3047 13.4280 13.4280 13.6918 13.6918 13.8033 13.8033 14.3704 14.3704 14.6810 14.6810 15.5808 15.5808 15.8796 15.8796 16.6484 16.6484 17.7869 17.7869 19.7957 19.7957 k = 0.3500 0.5485 0.6347 ( 3402 PWs) bands (ev): -11.6863 -11.6863 1.3556 1.3556 3.1680 3.1680 3.2109 3.2109 8.5693 8.5693 8.6864 8.6864 8.7539 8.7539 8.8556 8.8556 9.3112 9.3112 9.8763 9.8763 10.0279 10.0279 10.1175 10.1175 10.2261 10.2261 10.3389 10.3389 10.6483 10.6483 10.9840 10.9840 11.3716 11.3716 11.9093 11.9093 11.9884 11.9884 12.0795 12.0795 12.3345 12.3345 12.6432 12.6432 12.7343 12.7343 12.8983 12.8983 13.1069 13.1069 13.3061 13.3061 13.4202 13.4202 13.6874 13.6874 13.8005 13.8005 14.3783 14.3783 14.6606 14.6606 15.6309 15.6309 15.8672 15.8672 16.5970 16.5970 17.7862 17.7862 19.9070 19.9070 k = 0.3417 0.5629 0.6347 ( 3406 PWs) bands (ev): -11.6863 -11.6863 1.3557 1.3557 3.1690 3.1690 3.2101 3.2101 8.6032 8.6032 8.6995 8.6995 8.7479 8.7479 8.8209 8.8209 9.3110 9.3110 9.8692 9.8692 10.0274 10.0274 10.1312 10.1312 10.2049 10.2049 10.3360 10.3360 10.6445 10.6445 10.9848 10.9848 11.3664 11.3664 11.9338 11.9338 11.9941 11.9941 12.0776 12.0776 12.3352 12.3352 12.6701 12.6701 12.7412 12.7412 12.8641 12.8641 13.1046 13.1046 13.3071 13.3071 13.4152 13.4152 13.6856 13.6856 13.7990 13.7990 14.3833 14.3833 14.6478 14.6478 15.6731 15.6731 15.8478 15.8478 16.5665 16.5665 17.7861 17.7861 20.0189 20.0189 k = 0.3333 0.5774 0.6347 ( 3402 PWs) bands (ev): -11.6863 -11.6863 1.3558 1.3558 3.1694 3.1694 3.2099 3.2099 8.6223 8.6223 8.6854 8.6854 8.7728 8.7728 8.7933 8.7933 9.3111 9.3111 9.8667 9.8667 10.0272 10.0272 10.1382 10.1382 10.1953 10.1953 10.3350 10.3350 10.6432 10.6432 10.9852 10.9852 11.3646 11.3646 11.9439 11.9439 11.9942 11.9942 12.0770 12.0770 12.3354 12.3354 12.6801 12.6801 12.7472 12.7472 12.8473 12.8473 13.1040 13.1040 13.3075 13.3075 13.4136 13.4136 13.6854 13.6854 13.7984 13.7984 14.3849 14.3849 14.6435 14.6435 15.6927 15.6927 15.8353 15.8353 16.5568 16.5568 17.7861 17.7861 20.1078 20.1079 k = 0.3333 0.5774 0.6347 ( 3402 PWs) bands (ev): -11.6863 -11.6863 1.3558 1.3558 3.1694 3.1694 3.2099 3.2099 8.6223 8.6223 8.6854 8.6854 8.7728 8.7728 8.7933 8.7933 9.3111 9.3111 9.8667 9.8667 10.0272 10.0272 10.1382 10.1382 10.1953 10.1953 10.3350 10.3350 10.6432 10.6432 10.9852 10.9852 11.3646 11.3646 11.9439 11.9439 11.9942 11.9942 12.0770 12.0770 12.3354 12.3354 12.6801 12.6801 12.7472 12.7472 12.8473 12.8473 13.1040 13.1040 13.3075 13.3075 13.4136 13.4136 13.6854 13.6854 13.7984 13.7984 14.3849 14.3849 14.6435 14.6435 15.6927 15.6927 15.8353 15.8353 16.5568 16.5568 17.7861 17.7861 20.1078 20.1079 k = 0.3248 0.5625 0.6347 ( 3410 PWs) bands (ev): -11.6863 -11.6863 1.3557 1.3557 3.1690 3.1690 3.2101 3.2101 8.6018 8.6018 8.6999 8.6999 8.7492 8.7492 8.8203 8.8203 9.3108 9.3108 9.8694 9.8694 10.0275 10.0275 10.1309 10.1309 10.2057 10.2057 10.3359 10.3359 10.6446 10.6446 10.9847 10.9847 11.3666 11.3666 11.9327 11.9327 11.9947 11.9947 12.0778 12.0778 12.3351 12.3351 12.6705 12.6705 12.7395 12.7395 12.8662 12.8662 13.1045 13.1045 13.3070 13.3070 13.4152 13.4152 13.6849 13.6849 13.7993 13.7993 14.3835 14.3835 14.6478 14.6478 15.6692 15.6692 15.8523 15.8523 16.5657 16.5657 17.7860 17.7860 20.0150 20.0150 k = 0.3162 0.5477 0.6347 ( 3406 PWs) bands (ev): -11.6863 -11.6863 1.3556 1.3556 3.1680 3.1680 3.2109 3.2109 8.5647 8.5647 8.6862 8.6862 8.7614 8.7614 8.8510 8.8510 9.3096 9.3096 9.8774 9.8774 10.0286 10.0286 10.1170 10.1170 10.2295 10.2295 10.3384 10.3384 10.6486 10.6486 10.9831 10.9831 11.3725 11.3725 11.9046 11.9046 11.9909 11.9909 12.0804 12.0804 12.3340 12.3340 12.6460 12.6460 12.7281 12.7281 12.9075 12.9075 13.1063 13.1063 13.3057 13.3057 13.4199 13.4199 13.6822 13.6822 13.8029 13.8029 14.3807 14.3807 14.6597 14.6597 15.6138 15.6138 15.8905 15.8905 16.5893 16.5893 17.7853 17.7853 19.8970 19.8970 k = 0.3077 0.5329 0.6347 ( 3406 PWs) bands (ev): -11.6864 -11.6864 1.3554 1.3554 3.1664 3.1664 3.2120 3.2120 8.5245 8.5245 8.6462 8.6462 8.8026 8.8026 8.8764 8.8764 9.3068 9.3068 9.8899 9.8899 10.0308 10.0308 10.1039 10.1039 10.2605 10.2605 10.3425 10.3425 10.6550 10.6550 10.9804 10.9804 11.3824 11.3824 11.8661 11.8661 11.9783 11.9783 12.0844 12.0844 12.3309 12.3309 12.6168 12.6168 12.7202 12.7202 12.9532 12.9532 13.1118 13.1118 13.3035 13.3035 13.4270 13.4270 13.6759 13.6759 13.8098 13.8098 14.3782 14.3782 14.6776 14.6776 15.5448 15.5448 15.9349 15.9349 16.6232 16.6232 17.7838 17.7838 19.7776 19.7776 k = 0.2991 0.5181 0.6347 ( 3414 PWs) bands (ev): -11.6864 -11.6864 1.3552 1.3552 3.1644 3.1644 3.2134 3.2134 8.4834 8.4834 8.6023 8.6023 8.8485 8.8485 8.8962 8.8962 9.3020 9.3020 9.9058 9.9058 10.0342 10.0342 10.0943 10.0943 10.2972 10.2972 10.3484 10.3484 10.6637 10.6637 10.9767 10.9767 11.3958 11.3958 11.8206 11.8206 11.9575 11.9575 12.0875 12.0875 12.3253 12.3253 12.5905 12.5905 12.7147 12.7147 12.9918 12.9918 13.1267 13.1267 13.3004 13.3004 13.4364 13.4364 13.6659 13.6659 13.8197 13.8197 14.3778 14.3778 14.7001 14.7001 15.4701 15.4701 15.9800 15.9800 16.6635 16.6635 17.7812 17.7812 19.6580 19.6580 k = 0.2906 0.5033 0.6347 ( 3416 PWs) bands (ev): -11.6864 -11.6864 1.3549 1.3549 3.1620 3.1620 3.2148 3.2148 8.4424 8.4424 8.5567 8.5567 8.8930 8.8930 8.9135 8.9135 9.2947 9.2947 9.9236 9.9236 10.0390 10.0390 10.0893 10.0893 10.3370 10.3370 10.3585 10.3585 10.6742 10.6742 10.9724 10.9724 11.4124 11.4124 11.7704 11.7704 11.9305 11.9305 12.0875 12.0875 12.3175 12.3175 12.5702 12.5702 12.7109 12.7109 13.0140 13.0140 13.1570 13.1570 13.2968 13.2968 13.4480 13.4480 13.6530 13.6530 13.8316 13.8316 14.3806 14.3806 14.7258 14.7258 15.3935 15.3935 16.0241 16.0241 16.7070 16.7070 17.7772 17.7772 19.5386 19.5386 k = 0.2821 0.4885 0.6347 ( 3412 PWs) bands (ev): -11.6865 -11.6865 1.3545 1.3545 3.1595 3.1595 3.2163 3.2163 8.4016 8.4016 8.5102 8.5102 8.9118 8.9118 8.9526 8.9526 9.2846 9.2846 9.9417 9.9417 10.0452 10.0452 10.0892 10.0892 10.3586 10.3586 10.3942 10.3942 10.6862 10.6862 10.9678 10.9678 11.4313 11.4313 11.7177 11.7177 11.8990 11.8990 12.0830 12.0830 12.3087 12.3087 12.5565 12.5565 12.7084 12.7084 13.0205 13.0205 13.1988 13.1988 13.2931 13.2931 13.4628 13.4628 13.6385 13.6385 13.8447 13.8447 14.3876 14.3876 14.7539 14.7539 15.3169 15.3169 16.0661 16.0661 16.7510 16.7510 17.7714 17.7714 19.4194 19.4194 k = 0.2735 0.4737 0.6347 ( 3404 PWs) bands (ev): -11.6866 -11.6866 1.3541 1.3541 3.1568 3.1568 3.2176 3.2176 8.3612 8.3612 8.4628 8.4628 8.9152 8.9152 9.0033 9.0033 9.2716 9.2716 9.9591 9.9591 10.0530 10.0530 10.0937 10.0937 10.3697 10.3697 10.4471 10.4471 10.6994 10.6994 10.9636 10.9636 11.4511 11.4511 11.6654 11.6654 11.8641 11.8641 12.0740 12.0740 12.3004 12.3004 12.5482 12.5482 12.7069 12.7069 13.0179 13.0179 13.2390 13.2390 13.2926 13.2926 13.4824 13.4824 13.6239 13.6239 13.8582 13.8582 14.3990 14.3990 14.7833 14.7833 15.2419 15.2419 16.1054 16.1054 16.7932 16.7932 17.7636 17.7636 19.3008 19.3008 k = 0.2650 0.4589 0.6347 ( 3400 PWs) bands (ev): -11.6867 -11.6867 1.3536 1.3536 3.1540 3.1540 3.2189 3.2189 8.3213 8.3213 8.4149 8.4149 8.9134 8.9134 9.0559 9.0559 9.2557 9.2557 9.9755 9.9755 10.0622 10.0622 10.1022 10.1022 10.3812 10.3812 10.5043 10.5043 10.7139 10.7139 10.9605 10.9605 11.4688 11.4688 11.6180 11.6180 11.8268 11.8268 12.0608 12.0608 12.2935 12.2935 12.5441 12.5441 12.7063 12.7063 13.0108 13.0108 13.2579 13.2579 13.3070 13.3070 13.5082 13.5082 13.6121 13.6121 13.8717 13.8717 14.4149 14.4149 14.8129 14.8129 15.1697 15.1697 16.1415 16.1415 16.8314 16.8314 17.7537 17.7537 19.1827 19.1827 k = 0.2564 0.4441 0.6347 ( 3412 PWs) bands (ev): -11.6868 -11.6868 1.3530 1.3530 3.1512 3.1512 3.2200 3.2200 8.2821 8.2821 8.3665 8.3665 8.9079 8.9079 9.1090 9.1090 9.2376 9.2376 9.9915 9.9915 10.0728 10.0728 10.1135 10.1135 10.3942 10.3942 10.5614 10.5614 10.7299 10.7299 10.9595 10.9595 11.4759 11.4759 11.5859 11.5859 11.7880 11.7880 12.0449 12.0449 12.2883 12.2883 12.5433 12.5433 12.7059 12.7059 13.0013 13.0013 13.2557 13.2557 13.3314 13.3314 13.5354 13.5354 13.6108 13.6108 13.8853 13.8853 14.4349 14.4349 14.8409 14.8409 15.1024 15.1024 16.1742 16.1742 16.8640 16.8640 17.7412 17.7412 19.0654 19.0654 k = 0.2479 0.4293 0.6347 ( 3412 PWs) bands (ev): -11.6869 -11.6869 1.3524 1.3524 3.1484 3.1484 3.2208 3.2208 8.2436 8.2436 8.3178 8.3178 8.8996 8.8996 9.1599 9.1599 9.2199 9.2199 10.0077 10.0077 10.0843 10.0843 10.1265 10.1265 10.4087 10.4087 10.6131 10.6131 10.7478 10.7478 10.9624 10.9624 11.4611 11.4611 11.5826 11.5826 11.7488 11.7488 12.0277 12.0277 12.2843 12.2843 12.5449 12.5449 12.7051 12.7051 12.9908 12.9908 13.2475 13.2475 13.3504 13.3504 13.5464 13.5464 13.6375 13.6375 13.8990 13.8990 14.4586 14.4586 14.8629 14.8629 15.0444 15.0444 16.2031 16.2031 16.8894 16.8894 17.7261 17.7261 18.9488 18.9488 k = 0.2393 0.4145 0.6347 ( 3404 PWs) bands (ev): -11.6870 -11.6870 1.3517 1.3517 3.1456 3.1456 3.2216 3.2216 8.2059 8.2059 8.2687 8.2687 8.8891 8.8891 9.1802 9.1802 9.2310 9.2310 10.0243 10.0243 10.0964 10.0964 10.1405 10.1405 10.4247 10.4247 10.6539 10.6539 10.7670 10.7670 10.9709 10.9709 11.4345 11.4345 11.6011 11.6011 11.7105 11.7105 12.0105 12.0105 12.2811 12.2811 12.5487 12.5487 12.7032 12.7032 12.9802 12.9802 13.2372 13.2372 13.3630 13.3630 13.5421 13.5421 13.6889 13.6889 13.9131 13.9131 14.4853 14.4853 14.8663 14.8663 15.0083 15.0083 16.2278 16.2278 16.9066 16.9066 17.7080 17.7080 18.8331 18.8332 k = 0.2308 0.3997 0.6347 ( 3408 PWs) bands (ev): -11.6872 -11.6872 1.3509 1.3509 3.1428 3.1428 3.2221 3.2221 8.1690 8.1690 8.2194 8.2194 8.8771 8.8771 9.1602 9.1602 9.2810 9.2810 10.0416 10.0416 10.1089 10.1089 10.1549 10.1549 10.4424 10.4424 10.6815 10.6815 10.7837 10.7837 10.9852 10.9852 11.4131 11.4131 11.6284 11.6284 11.6745 11.6745 11.9945 11.9945 12.2783 12.2783 12.5544 12.5544 12.6990 12.6990 12.9705 12.9705 13.2256 13.2256 13.3713 13.3713 13.5344 13.5344 13.7503 13.7503 13.9279 13.9279 14.5145 14.5145 14.8382 14.8382 15.0070 15.0070 16.2481 16.2481 16.9148 16.9148 17.6868 17.6868 18.7185 18.7185 k = 0.2222 0.3849 0.6347 ( 3416 PWs) bands (ev): -11.6873 -11.6873 1.3502 1.3502 3.1401 3.1401 3.2224 3.2224 8.1330 8.1330 8.1700 8.1700 8.8640 8.8640 9.1344 9.1344 9.3351 9.3351 10.0595 10.0595 10.1215 10.1215 10.1696 10.1696 10.4614 10.4614 10.6988 10.6988 10.7931 10.7931 11.0004 11.0004 11.4061 11.4061 11.6421 11.6421 11.6608 11.6608 11.9807 11.9807 12.2756 12.2756 12.5620 12.5620 12.6917 12.6917 12.9626 12.9626 13.2130 13.2130 13.3778 13.3778 13.5273 13.5273 13.8149 13.8149 13.9441 13.9441 14.5452 14.5452 14.7913 14.7913 15.0281 15.0281 16.2636 16.2636 16.9138 16.9138 17.6622 17.6622 18.6048 18.6048 k = 0.2137 0.3701 0.6347 ( 3414 PWs) bands (ev): -11.6875 -11.6875 1.3494 1.3494 3.1374 3.1374 3.2226 3.2226 8.0979 8.0979 8.1206 8.1206 8.8501 8.8501 9.1071 9.1071 9.3894 9.3894 10.0777 10.0777 10.1337 10.1337 10.1843 10.1843 10.4819 10.4819 10.7093 10.7093 10.7943 10.7943 11.0086 11.0086 11.4159 11.4159 11.6179 11.6179 11.6955 11.6955 11.9703 11.9703 12.2728 12.2728 12.5714 12.5714 12.6803 12.6803 12.9573 12.9573 13.1997 13.1997 13.3844 13.3844 13.5223 13.5223 13.8785 13.8785 13.9636 13.9636 14.5766 14.5766 14.7405 14.7405 15.0573 15.0573 16.2741 16.2741 16.9034 16.9034 17.6340 17.6340 18.4923 18.4923 k = 0.2051 0.3553 0.6347 ( 3414 PWs) bands (ev): -11.6877 -11.6877 1.3486 1.3486 3.1348 3.1348 3.2227 3.2227 8.0637 8.0637 8.0712 8.0712 8.8357 8.8357 9.0791 9.0791 9.4429 9.4429 10.0959 10.0959 10.1451 10.1451 10.1991 10.1991 10.5035 10.5035 10.7156 10.7156 10.7895 10.7895 11.0060 11.0060 11.4347 11.4347 11.6070 11.6070 11.7333 11.7333 11.9646 11.9646 12.2698 12.2698 12.5826 12.5826 12.6644 12.6644 12.9547 12.9547 13.1856 13.1856 13.3925 13.3925 13.5203 13.5203 13.9323 13.9323 13.9935 13.9935 14.6055 14.6055 14.6938 14.6938 15.0895 15.0895 16.2792 16.2792 16.8842 16.8842 17.6022 17.6022 18.3809 18.3809 k = 0.1966 0.3405 0.6347 ( 3414 PWs) bands (ev): -11.6879 -11.6879 1.3477 1.3477 3.1322 3.1322 3.2226 3.2226 8.0219 8.0219 8.0308 8.0308 8.8211 8.8211 9.0508 9.0508 9.4946 9.4946 10.1138 10.1138 10.1555 10.1555 10.2138 10.2138 10.5261 10.5261 10.7193 10.7193 10.7810 10.7810 10.9949 10.9949 11.4468 11.4468 11.6172 11.6172 11.7732 11.7732 11.9667 11.9667 12.2666 12.2666 12.5956 12.5956 12.6440 12.6440 12.9547 12.9547 13.1708 13.1708 13.4032 13.4032 13.5220 13.5220 13.9655 13.9655 14.0435 14.0435 14.6128 14.6128 14.6721 14.6721 15.1226 15.1226 16.2788 16.2788 16.8568 16.8568 17.5666 17.5666 18.2708 18.2708 k = 0.1880 0.3257 0.6347 ( 3414 PWs) bands (ev): -11.6881 -11.6881 1.3469 1.3469 3.1296 3.1296 3.2225 3.2225 7.9731 7.9731 7.9986 7.9986 8.8065 8.8065 9.0226 9.0226 9.5437 9.5437 10.1312 10.1312 10.1644 10.1644 10.2284 10.2284 10.5494 10.5494 10.7214 10.7214 10.7711 10.7711 10.9796 10.9796 11.4445 11.4445 11.6471 11.6471 11.8115 11.8115 11.9821 11.9821 12.2630 12.2630 12.6098 12.6098 12.6204 12.6204 12.9563 12.9563 13.1553 13.1553 13.4170 13.4170 13.5290 13.5290 13.9868 13.9868 14.1037 14.1037 14.5813 14.5813 14.6939 14.6939 15.1559 15.1559 16.2724 16.2724 16.8220 16.8220 17.5271 17.5271 18.1620 18.1620 k = 0.1795 0.3109 0.6347 ( 3400 PWs) bands (ev): -11.6883 -11.6883 1.3460 1.3460 3.1270 3.1270 3.2224 3.2224 7.9248 7.9248 7.9677 7.9677 8.7919 8.7919 8.9948 8.9948 9.5891 9.5891 10.1484 10.1484 10.1720 10.1720 10.2426 10.2426 10.5731 10.5731 10.7226 10.7226 10.7616 10.7616 10.9636 10.9636 11.4332 11.4332 11.6847 11.6847 11.8410 11.8410 12.0184 12.0184 12.2589 12.2589 12.5915 12.5915 12.6281 12.6281 12.9584 12.9584 13.1395 13.1395 13.4332 13.4332 13.5431 13.5431 14.0046 14.0046 14.1639 14.1639 14.5454 14.5454 14.7264 14.7264 15.1890 15.1890 16.2599 16.2599 16.7808 16.7808 17.4838 17.4838 18.0547 18.0547 k = 0.1709 0.2961 0.6347 ( 3396 PWs) bands (ev): -11.6885 -11.6885 1.3451 1.3451 3.1245 3.1245 3.2223 3.2223 7.8771 7.8771 7.9378 7.9378 8.7776 8.7776 8.9677 8.9677 9.6295 9.6295 10.1654 10.1654 10.1785 10.1785 10.2558 10.2558 10.5967 10.5967 10.7237 10.7237 10.7541 10.7541 10.9490 10.9490 11.4187 11.4187 11.7214 11.7214 11.8589 11.8589 12.0768 12.0768 12.2540 12.2540 12.5619 12.5619 12.6471 12.6471 12.9595 12.9595 13.1240 13.1240 13.4506 13.4506 13.5671 13.5671 14.0211 14.0211 14.2191 14.2191 14.5164 14.5164 14.7606 14.7606 15.2213 15.2213 16.2410 16.2410 16.7343 16.7343 17.4369 17.4369 17.9488 17.9488 k = 0.1624 0.2813 0.6347 ( 3400 PWs) bands (ev): -11.6887 -11.6887 1.3442 1.3442 3.1219 3.1219 3.2222 3.2222 7.8302 7.8302 7.9091 7.9091 8.7635 8.7635 8.9414 8.9414 9.6631 9.6631 10.1816 10.1816 10.1854 10.1854 10.2679 10.2679 10.6198 10.6198 10.7254 10.7254 10.7500 10.7500 10.9371 10.9371 11.4036 11.4036 11.7544 11.7544 11.8692 11.8692 12.1494 12.1494 12.2481 12.2481 12.5312 12.5312 12.6683 12.6683 12.9582 12.9582 13.1097 13.1097 13.4678 13.4678 13.6029 13.6029 14.0370 14.0370 14.2632 14.2632 14.5010 14.5010 14.7954 14.7954 15.2527 15.2527 16.2155 16.2155 16.6834 16.6834 17.3864 17.3864 17.8445 17.8445 k = 0.1538 0.2665 0.6347 ( 3392 PWs) bands (ev): -11.6889 -11.6889 1.3434 1.3434 3.1194 3.1194 3.2222 3.2222 7.7843 7.7843 7.8817 7.8817 8.7498 8.7498 8.9161 8.9161 9.6886 9.6886 10.1889 10.1889 10.2024 10.2024 10.2786 10.2786 10.6414 10.6414 10.7285 10.7285 10.7501 10.7501 10.9286 10.9286 11.3888 11.3888 11.7830 11.7830 11.8770 11.8770 12.2273 12.2273 12.2411 12.2411 12.5008 12.5008 12.6919 12.6919 12.9530 12.9530 13.0984 13.0984 13.4849 13.4849 13.6510 13.6510 14.0524 14.0524 14.2889 14.2889 14.5068 14.5068 14.8300 14.8300 15.2830 15.2830 16.1835 16.1835 16.6290 16.6290 17.3328 17.3328 17.7418 17.7418 k = 0.1453 0.2517 0.6347 ( 3388 PWs) bands (ev): -11.6891 -11.6891 1.3425 1.3425 3.1168 3.1168 3.2223 3.2223 7.7395 7.7395 7.8555 7.8555 8.7365 8.7365 8.8919 8.8919 9.7045 9.7045 10.1946 10.1946 10.2227 10.2227 10.2885 10.2885 10.6605 10.6605 10.7339 10.7339 10.7552 10.7552 10.9236 10.9236 11.3747 11.3747 11.8068 11.8068 11.8851 11.8851 12.2309 12.2309 12.3054 12.3054 12.4730 12.4730 12.7174 12.7174 12.9427 12.9427 13.0913 13.0913 13.5026 13.5026 13.7108 13.7108 14.0673 14.0673 14.2946 14.2946 14.5356 14.5356 14.8644 14.8644 15.3117 15.3117 16.1449 16.1449 16.5720 16.5720 17.2764 17.2764 17.6409 17.6409 k = 0.1368 0.2369 0.6347 ( 3392 PWs) bands (ev): -11.6893 -11.6893 1.3417 1.3417 3.1142 3.1142 3.2225 3.2225 7.6961 7.6961 7.8305 7.8305 8.7236 8.7236 8.8690 8.8690 9.7104 9.7104 10.2005 10.2005 10.2434 10.2434 10.2997 10.2997 10.6760 10.6760 10.7424 10.7424 10.7653 10.7653 10.9221 10.9221 11.3614 11.3614 11.8251 11.8251 11.8956 11.8956 12.2188 12.2188 12.3713 12.3713 12.4555 12.4555 12.7443 12.7443 12.9278 12.9278 13.0893 13.0893 13.5219 13.5219 13.7810 13.7810 14.0816 14.0816 14.2883 14.2883 14.5795 14.5795 14.8984 14.8984 15.3388 15.3388 16.1000 16.1000 16.5130 16.5130 17.2175 17.2175 17.5419 17.5419 k = 0.1282 0.2221 0.6347 ( 3396 PWs) bands (ev): -11.6895 -11.6895 1.3409 1.3409 3.1116 3.1116 3.2228 3.2228 7.6543 7.6543 7.8069 7.8069 8.7112 8.7112 8.8475 8.8475 9.7069 9.7069 10.2067 10.2067 10.2603 10.2603 10.3170 10.3170 10.6872 10.6872 10.7544 10.7544 10.7801 10.7801 10.9238 10.9238 11.3489 11.3489 11.8383 11.8383 11.9092 11.9092 12.2036 12.2036 12.3912 12.3912 12.4813 12.4813 12.7705 12.7705 12.9109 12.9109 13.0924 13.0924 13.5432 13.5432 13.8601 13.8601 14.0952 14.0952 14.2785 14.2785 14.6305 14.6305 14.9319 14.9319 15.3640 15.3640 16.0494 16.0494 16.4524 16.4524 17.1567 17.1567 17.4449 17.4449 k = 0.1197 0.2073 0.6347 ( 3404 PWs) bands (ev): -11.6898 -11.6898 1.3401 1.3401 3.1091 3.1091 3.2232 3.2232 7.6142 7.6142 7.7846 7.7846 8.6993 8.6993 8.8274 8.8274 9.6954 9.6954 10.2129 10.2129 10.2695 10.2695 10.3440 10.3440 10.6947 10.6947 10.7695 10.7695 10.7985 10.7985 10.9283 10.9283 11.3372 11.3372 11.8473 11.8473 11.9250 11.9250 12.1852 12.1852 12.3765 12.3765 12.5376 12.5376 12.7905 12.7905 12.8982 12.8982 13.1003 13.1003 13.5671 13.5671 13.9462 13.9462 14.1083 14.1083 14.2701 14.2701 14.6843 14.6843 14.9647 14.9647 15.3870 15.3870 15.9936 15.9936 16.3906 16.3906 17.0945 17.0945 17.3501 17.3501 k = 0.1111 0.1925 0.6347 ( 3412 PWs) bands (ev): -11.6900 -11.6900 1.3393 1.3393 3.1066 3.1066 3.2238 3.2238 7.5761 7.5761 7.7637 7.7637 8.6879 8.6879 8.8087 8.8087 9.6776 9.6776 10.2190 10.2190 10.2729 10.2729 10.3784 10.3784 10.6998 10.6998 10.7867 10.7867 10.8193 10.8193 10.9351 10.9351 11.3262 11.3262 11.8538 11.8538 11.9415 11.9415 12.1641 12.1641 12.3583 12.3583 12.5919 12.5919 12.7952 12.7952 12.8996 12.8996 13.1130 13.1130 13.5936 13.5936 14.0362 14.0362 14.1216 14.1216 14.2661 14.2661 14.7387 14.7387 14.9968 14.9968 15.4076 15.4076 15.9336 15.9336 16.3278 16.3278 17.0315 17.0315 17.2576 17.2576 k = 0.1026 0.1776 0.6347 ( 3412 PWs) bands (ev): -11.6902 -11.6902 1.3386 1.3386 3.1041 3.1041 3.2244 3.2244 7.5400 7.5400 7.7442 7.7442 8.6771 8.6771 8.7916 8.7916 9.6553 9.6553 10.2247 10.2247 10.2732 10.2732 10.4169 10.4169 10.7036 10.7036 10.8046 10.8046 10.8417 10.8417 10.9437 10.9437 11.3160 11.3160 11.8592 11.8592 11.9576 11.9576 12.1411 12.1411 12.3410 12.3410 12.6365 12.6365 12.7854 12.7854 12.9163 12.9163 13.1307 13.1307 13.6226 13.6226 14.1118 14.1118 14.1481 14.1481 14.2713 14.2713 14.7926 14.7926 15.0281 15.0281 15.4256 15.4256 15.8704 15.8704 16.2641 16.2641 16.9684 16.9684 17.1676 17.1676 k = 0.0940 0.1628 0.6347 ( 3404 PWs) bands (ev): -11.6904 -11.6904 1.3379 1.3379 3.1016 3.1016 3.2252 3.2252 7.5062 7.5062 7.7262 7.7262 8.6668 8.6668 8.7760 8.7760 9.6304 9.6304 10.2301 10.2301 10.2719 10.2719 10.4572 10.4572 10.7066 10.7066 10.8223 10.8223 10.8652 10.8652 10.9536 10.9536 11.3065 11.3065 11.8641 11.8641 11.9723 11.9723 12.1177 12.1177 12.3248 12.3248 12.6632 12.6632 12.7780 12.7780 12.9388 12.9388 13.1531 13.1531 13.6539 13.6539 14.1332 14.1332 14.2094 14.2094 14.3029 14.3029 14.8457 14.8457 15.0583 15.0583 15.4408 15.4408 15.8050 15.8050 16.2000 16.2000 16.9057 16.9057 17.0804 17.0804 k = 0.0855 0.1480 0.6347 ( 3408 PWs) bands (ev): -11.6905 -11.6905 1.3373 1.3373 3.0993 3.0993 3.2260 3.2260 7.4748 7.4748 7.7096 7.7096 8.6571 8.6571 8.7619 8.7619 9.6042 9.6042 10.2350 10.2350 10.2698 10.2698 10.4977 10.4977 10.7093 10.7093 10.8387 10.8387 10.8892 10.8892 10.9643 10.9643 11.2978 11.2978 11.8690 11.8690 11.9847 11.9847 12.0957 12.0957 12.3091 12.3091 12.6624 12.6624 12.7891 12.7891 12.9608 12.9608 13.1796 13.1796 13.6871 13.6871 14.1438 14.1438 14.2399 14.2399 14.3814 14.3814 14.8975 14.8975 15.0874 15.0874 15.4528 15.4528 15.7387 15.7387 16.1356 16.1356 16.8442 16.8442 16.9961 16.9961 k = 0.0769 0.1332 0.6347 ( 3400 PWs) bands (ev): -11.6907 -11.6907 1.3367 1.3367 3.0971 3.0971 3.2268 3.2268 7.4459 7.4459 7.6946 7.6946 8.6481 8.6481 8.7494 8.7494 9.5778 9.5778 10.2395 10.2395 10.2675 10.2675 10.5374 10.5374 10.7122 10.7122 10.8532 10.8532 10.9132 10.9132 10.9757 10.9757 11.2897 11.2897 11.8742 11.8742 11.9931 11.9931 12.0774 12.0774 12.2934 12.2934 12.6415 12.6415 12.8143 12.8143 12.9805 12.9805 13.2087 13.2087 13.7217 13.7217 14.1534 14.1534 14.2555 14.2555 14.4794 14.4794 14.9478 14.9478 15.1150 15.1150 15.4617 15.4617 15.6725 15.6725 16.0717 16.0717 16.7847 16.7847 16.9153 16.9153 k = 0.0684 0.1184 0.6347 ( 3396 PWs) bands (ev): -11.6909 -11.6909 1.3362 1.3362 3.0950 3.0950 3.2277 3.2277 7.4197 7.4197 7.6810 7.6810 8.6398 8.6398 8.7384 8.7384 9.5522 9.5522 10.2434 10.2434 10.2652 10.2652 10.5751 10.5751 10.7157 10.7157 10.8653 10.8653 10.9366 10.9366 10.9874 10.9874 11.2824 11.2824 11.8796 11.8796 11.9954 11.9954 12.0661 12.0661 12.2770 12.2770 12.6135 12.6135 12.8425 12.8425 12.9977 12.9977 13.2388 13.2388 13.7568 13.7568 14.1634 14.1634 14.2694 14.2694 14.5803 14.5803 14.9964 14.9964 15.1409 15.1409 15.4674 15.4674 15.6078 15.6078 16.0088 16.0088 16.7279 16.7279 16.8383 16.8383 k = 0.0598 0.1036 0.6347 ( 3396 PWs) bands (ev): -11.6910 -11.6910 1.3357 1.3357 3.0931 3.0931 3.2286 3.2286 7.3963 7.3963 7.6690 7.6690 8.6322 8.6322 8.7288 8.7288 9.5282 9.5282 10.2466 10.2466 10.2632 10.2632 10.6096 10.6096 10.7205 10.7205 10.8748 10.8748 10.9581 10.9581 10.9996 10.9996 11.2757 11.2757 11.8850 11.8850 11.9909 11.9909 12.0635 12.0635 12.2595 12.2595 12.5842 12.5842 12.8692 12.8692 13.0129 13.0129 13.2681 13.2681 13.7914 13.7914 14.1741 14.1741 14.2838 14.2838 14.6788 14.6788 15.0431 15.0431 15.1644 15.1644 15.4698 15.4698 15.5460 15.5460 15.9480 15.9480 16.6746 16.6746 16.7656 16.7656 k = 0.0513 0.0888 0.6347 ( 3394 PWs) bands (ev): -11.6911 -11.6911 1.3353 1.3353 3.0914 3.0914 3.2294 3.2294 7.3759 7.3759 7.6586 7.6586 8.6255 8.6255 8.7207 8.7207 9.5064 9.5064 10.2491 10.2491 10.2617 10.2617 10.6390 10.6390 10.7280 10.7280 10.8814 10.8814 10.9765 10.9765 11.0127 11.0127 11.2698 11.2698 11.8898 11.8898 11.9835 11.9835 12.0668 12.0668 12.2406 12.2406 12.5564 12.5564 12.8927 12.8927 13.0267 13.0267 13.2953 13.2953 13.8246 13.8246 14.1856 14.1856 14.2988 14.2988 14.7721 14.7721 15.0875 15.0875 15.1851 15.1851 15.4690 15.4690 15.4890 15.4890 15.8905 15.8905 16.6258 16.6258 16.6981 16.6981 k = 0.0427 0.0740 0.6347 ( 3390 PWs) bands (ev): -11.6912 -11.6912 1.3349 1.3349 3.0900 3.0900 3.2301 3.2301 7.3584 7.3584 7.6497 7.6497 8.6197 8.6197 8.7139 8.7139 9.4872 9.4872 10.2506 10.2506 10.2610 10.2610 10.6614 10.6614 10.7398 10.7398 10.8850 10.8850 10.9904 10.9904 11.0269 11.0269 11.2645 11.2645 11.8932 11.8932 11.9780 11.9780 12.0727 12.0727 12.2202 12.2202 12.5314 12.5314 12.9123 12.9123 13.0392 13.0392 13.3193 13.3193 13.8552 13.8552 14.1975 14.1975 14.3141 14.3141 14.8575 14.8575 15.1289 15.1289 15.2023 15.2023 15.4368 15.4368 15.4668 15.4668 15.8376 15.8376 16.5823 16.5823 16.6367 16.6367 k = 0.0342 0.0592 0.6347 ( 3394 PWs) bands (ev): -11.6913 -11.6913 1.3346 1.3346 3.0887 3.0887 3.2308 3.2308 7.3440 7.3440 7.6424 7.6424 8.6148 8.6148 8.7084 8.7084 9.4710 9.4710 10.2511 10.2511 10.2612 10.2612 10.6758 10.6758 10.7563 10.7563 10.8859 10.8859 11.0002 11.0002 11.0414 11.0414 11.2601 11.2601 11.8942 11.8942 11.9771 11.9771 12.0794 12.0794 12.1987 12.1987 12.5103 12.5103 12.9280 12.9280 13.0504 13.0504 13.3396 13.3396 13.8820 13.8820 14.2092 14.2092 14.3289 14.3289 14.9324 14.9324 15.1660 15.1660 15.2155 15.2155 15.3936 15.3936 15.4619 15.4619 15.7909 15.7909 16.5450 16.5450 16.5828 16.5828 k = 0.0256 0.0444 0.6347 ( 3398 PWs) bands (ev): -11.6914 -11.6914 1.3344 1.3344 3.0877 3.0877 3.2313 3.2313 7.3327 7.3327 7.6368 7.6368 8.6110 8.6110 8.7042 8.7042 9.4582 9.4582 10.2509 10.2509 10.2618 10.2618 10.6839 10.6839 10.7752 10.7752 10.8840 10.8840 11.0067 11.0067 11.0545 11.0545 11.2564 11.2564 11.8930 11.8930 11.9810 11.9810 12.0863 12.0863 12.1768 12.1768 12.4937 12.4937 12.9397 12.9397 13.0598 13.0598 13.3558 13.3558 13.9040 13.9040 14.2199 14.2199 14.3421 14.3421 14.9943 14.9943 15.1959 15.1959 15.2263 15.2263 15.3594 15.3594 15.4565 15.4565 15.7521 15.7521 16.5148 16.5148 16.5379 16.5379 k = 0.0171 0.0296 0.6347 ( 3402 PWs) bands (ev): -11.6914 -11.6914 1.3342 1.3342 3.0870 3.0870 3.2317 3.2317 7.3246 7.3246 7.6327 7.6327 8.6082 8.6082 8.7012 8.7012 9.4488 9.4488 10.2506 10.2506 10.2625 10.2625 10.6883 10.6883 10.7930 10.7930 10.8801 10.8801 11.0108 11.0108 11.0647 11.0647 11.2536 11.2536 11.8909 11.8909 11.9875 11.9875 12.0937 12.0937 12.1557 12.1557 12.4817 12.4817 12.9477 12.9477 13.0670 13.0670 13.3674 13.3674 13.9203 13.9203 14.2286 14.2286 14.3526 14.3526 15.0402 15.0402 15.2133 15.2133 15.2392 15.2392 15.3346 15.3346 15.4516 15.4516 15.7229 15.7229 16.4923 16.4923 16.5041 16.5041 k = 0.0085 0.0148 0.6347 ( 3400 PWs) bands (ev): -11.6915 -11.6915 1.3341 1.3341 3.0866 3.0866 3.2319 3.2319 7.3198 7.3198 7.6303 7.6303 8.6066 8.6066 8.6995 8.6995 9.4432 9.4432 10.2504 10.2504 10.2630 10.2630 10.6904 10.6904 10.8064 10.8064 10.8756 10.8756 11.0130 11.0130 11.0712 11.0712 11.2519 11.2519 11.8892 11.8892 11.9934 11.9934 12.1018 12.1018 12.1375 12.1375 12.4746 12.4746 12.9524 12.9524 13.0715 13.0715 13.3744 13.3744 13.9302 13.9302 14.2343 14.2343 14.3595 14.3595 15.0681 15.0681 15.2204 15.2204 15.2520 15.2520 15.3188 15.3188 15.4483 15.4483 15.7047 15.7047 16.4778 16.4778 16.4836 16.4836 k = 0.0000 0.0000 0.6347 ( 3388 PWs) bands (ev): -11.6915 -11.6915 1.3341 1.3341 3.0865 3.0865 3.2320 3.2320 7.3181 7.3181 7.6294 7.6294 8.6060 8.6060 8.6989 8.6989 9.4413 9.4413 10.2503 10.2503 10.2631 10.2631 10.6911 10.6911 10.8117 10.8117 10.8734 10.8734 11.0138 11.0138 11.0735 11.0735 11.2513 11.2513 11.8885 11.8885 11.9959 11.9959 12.1074 12.1074 12.1282 12.1282 12.4722 12.4722 12.9540 12.9540 13.0731 13.0731 13.3768 13.3768 13.9336 13.9336 14.2363 14.2363 14.3619 14.3619 15.0772 15.0772 15.2228 15.2228 15.2571 15.2571 15.3130 15.3130 15.4472 15.4472 15.6985 15.6985 16.4722 16.4722 16.4773 16.4773 k = 0.5000 0.2887 0.6347 ( 3388 PWs) bands (ev): -11.6869 -11.6869 1.3514 1.3514 3.1313 3.1313 3.2376 3.2376 8.1278 8.1278 8.2178 8.2178 9.0186 9.0186 9.2225 9.2225 9.4861 9.4861 9.8803 9.8803 9.9828 9.9828 10.4459 10.4459 10.6093 10.6093 10.8145 10.8145 10.8356 10.8356 10.9872 10.9872 11.1595 11.1595 11.4339 11.4339 11.4937 11.4937 11.8387 11.8387 11.9994 11.9994 12.3607 12.3607 12.6115 12.6115 13.0893 13.0893 13.2322 13.2322 13.4185 13.4185 13.4368 13.4368 13.7459 13.7459 14.1931 14.1931 14.3681 14.3681 14.8556 14.8556 15.2260 15.2260 15.7832 15.7832 18.0400 18.0400 18.1155 18.1155 18.4018 18.4018 k = 0.5000 0.2887 0.6175 ( 3400 PWs) bands (ev): -11.6869 -11.6869 1.3515 1.3515 3.1315 3.1315 3.2376 3.2376 8.1238 8.1238 8.2164 8.2164 9.0193 9.0193 9.2269 9.2269 9.4882 9.4882 9.8799 9.8799 9.9839 9.9839 10.4449 10.4449 10.6065 10.6065 10.8139 10.8139 10.8360 10.8360 10.9872 10.9872 11.1571 11.1571 11.4374 11.4374 11.4933 11.4933 11.8364 11.8364 12.0016 12.0016 12.3598 12.3598 12.6108 12.6108 13.0886 13.0886 13.2298 13.2298 13.4192 13.4192 13.4405 13.4405 13.7383 13.7383 14.1963 14.1963 14.3600 14.3600 14.8708 14.8708 15.2250 15.2250 15.7916 15.7916 17.9960 17.9960 18.1590 18.1590 18.3967 18.3967 k = 0.5000 0.2887 0.6003 ( 3404 PWs) bands (ev): -11.6870 -11.6870 1.3517 1.3517 3.1319 3.1319 3.2376 3.2376 8.1119 8.1119 8.2123 8.2123 9.0214 9.0214 9.2399 9.2399 9.4942 9.4942 9.8787 9.8787 9.9875 9.9875 10.4419 10.4419 10.5984 10.5984 10.8120 10.8120 10.8372 10.8372 10.9872 10.9872 11.1502 11.1502 11.4471 11.4471 11.4924 11.4924 11.8300 11.8300 12.0076 12.0076 12.3575 12.3575 12.6087 12.6087 13.0864 13.0864 13.2231 13.2231 13.4216 13.4216 13.4502 13.4502 13.7179 13.7179 14.2044 14.2044 14.3389 14.3389 14.9133 14.9133 15.2218 15.2218 15.8167 15.8167 17.9292 17.9292 18.2207 18.2207 18.3855 18.3855 k = 0.5000 0.2887 0.5832 ( 3404 PWs) bands (ev): -11.6872 -11.6872 1.3522 1.3522 3.1326 3.1326 3.2376 3.2376 8.0927 8.0927 8.2058 8.2058 9.0249 9.0249 9.2605 9.2605 9.5040 9.5040 9.8768 9.8768 9.9935 9.9935 10.4371 10.4371 10.5854 10.5854 10.8081 10.8081 10.8396 10.8396 10.9870 10.9870 11.1395 11.1395 11.4608 11.4608 11.4924 11.4924 11.8208 11.8208 12.0164 12.0164 12.3539 12.3539 12.6048 12.6048 13.0829 13.0829 13.2133 13.2133 13.4254 13.4254 13.4629 13.4629 13.6906 13.6906 14.2133 14.2133 14.3109 14.3109 14.9770 14.9770 15.2165 15.2165 15.8576 15.8576 17.8615 17.8615 18.2584 18.2584 18.3891 18.3891 k = 0.5000 0.2887 0.5660 ( 3404 PWs) bands (ev): -11.6875 -11.6875 1.3528 1.3528 3.1334 3.1334 3.2378 3.2378 8.0672 8.0672 8.1972 8.1972 9.0300 9.0300 9.2878 9.2878 9.5168 9.5168 9.8742 9.8742 10.0021 10.0021 10.4303 10.4303 10.5685 10.5685 10.8023 10.8023 10.8427 10.8427 10.9868 10.9868 11.1258 11.1258 11.4710 11.4710 11.4992 11.4992 11.8101 11.8101 12.0269 12.0269 12.3495 12.3495 12.5989 12.5989 13.0782 13.0782 13.2020 13.2020 13.4296 13.4296 13.4738 13.4738 13.6655 13.6655 14.2173 14.2173 14.2838 14.2838 15.0556 15.0556 15.2099 15.2099 15.9134 15.9134 17.7956 17.7956 18.2418 18.2418 18.4364 18.4364 k = 0.5000 0.2887 0.5489 ( 3396 PWs) bands (ev): -11.6879 -11.6879 1.3535 1.3535 3.1344 3.1344 3.2381 3.2381 8.0363 8.0363 8.1869 8.1869 9.0367 9.0367 9.3201 9.3201 9.5322 9.5322 9.8708 9.8708 10.0134 10.0134 10.4218 10.4218 10.5484 10.5484 10.7949 10.7949 10.8459 10.8459 10.9864 10.9864 11.1099 11.1099 11.4710 11.4710 11.5186 11.5186 11.7990 11.7990 12.0382 12.0382 12.3448 12.3448 12.5906 12.5906 13.0724 13.0724 13.1905 13.1905 13.4305 13.4305 13.4775 13.4775 13.6541 13.6541 14.2082 14.2082 14.2665 14.2665 15.1396 15.1396 15.2072 15.2072 15.9827 15.9827 17.7325 17.7325 18.1919 18.1919 18.5073 18.5073 k = 0.5000 0.2887 0.5317 ( 3396 PWs) bands (ev): -11.6883 -11.6883 1.3544 1.3544 3.1353 3.1353 3.2388 3.2388 8.0012 8.0012 8.1752 8.1752 9.0449 9.0449 9.3562 9.3562 9.5493 9.5493 9.8667 9.8667 10.0276 10.0276 10.4116 10.4116 10.5259 10.5259 10.7860 10.7860 10.8485 10.8485 10.9853 10.9853 11.0927 11.0927 11.4662 11.4662 11.5441 11.5441 11.7884 11.7884 12.0499 12.0499 12.3402 12.3402 12.5797 12.5797 13.0656 13.0656 13.1801 13.1801 13.4193 13.4193 13.4777 13.4777 13.6632 13.6632 14.1860 14.1860 14.2600 14.2600 15.1717 15.1717 15.2629 15.2629 16.0637 16.0637 17.6726 17.6726 18.1263 18.1263 18.5854 18.5854 k = 0.5000 0.2887 0.5146 ( 3394 PWs) bands (ev): -11.6888 -11.6888 1.3554 1.3554 3.1360 3.1360 3.2400 3.2400 7.9628 7.9628 8.1625 8.1625 9.0547 9.0547 9.3945 9.3945 9.5673 9.5673 9.8618 9.8618 10.0448 10.0448 10.4000 10.4000 10.5019 10.5019 10.7759 10.7759 10.8500 10.8500 10.9828 10.9828 11.0757 11.0757 11.4597 11.4597 11.5721 11.5721 11.7788 11.7788 12.0617 12.0617 12.3360 12.3360 12.5664 12.5664 13.0576 13.0576 13.1717 13.1717 13.3920 13.3920 13.4830 13.4830 13.6888 13.6888 14.1605 14.1605 14.2554 14.2554 15.1602 15.1602 15.3665 15.3665 16.1549 16.1549 17.6163 17.6163 18.0512 18.0512 18.6662 18.6662 k = 0.5000 0.2887 0.4974 ( 3402 PWs) bands (ev): -11.6894 -11.6894 1.3566 1.3566 3.1365 3.1365 3.2418 3.2418 7.9221 7.9221 8.1492 8.1492 9.0660 9.0660 9.4336 9.4336 9.5856 9.5856 9.8564 9.8564 10.0649 10.0649 10.3870 10.3870 10.4771 10.4771 10.7646 10.7646 10.8498 10.8498 10.9767 10.9767 11.0614 11.0614 11.4525 11.4525 11.6008 11.6008 11.7710 11.7710 12.0735 12.0735 12.3324 12.3324 12.5510 12.5510 13.0486 13.0486 13.1658 13.1658 13.3568 13.3568 13.4929 13.4929 13.7233 13.7233 14.1372 14.1372 14.2484 14.2484 15.1419 15.1419 15.4793 15.4793 16.2541 16.2541 17.5639 17.5639 17.9695 17.9695 18.7483 18.7483 k = 0.5000 0.2887 0.4803 ( 3398 PWs) bands (ev): -11.6900 -11.6900 1.3578 1.3578 3.1365 3.1365 3.2444 3.2444 7.8798 7.8798 8.1357 8.1357 9.0790 9.0790 9.4719 9.4719 9.6036 9.6036 9.8504 9.8504 10.0876 10.0876 10.3727 10.3727 10.4520 10.4520 10.7520 10.7520 10.8479 10.8479 10.9648 10.9648 11.0527 11.0527 11.4453 11.4453 11.6291 11.6291 11.7654 11.7654 12.0854 12.0854 12.3291 12.3291 12.5342 12.5342 13.0384 13.0384 13.1629 13.1629 13.3208 13.3208 13.5051 13.5051 13.7608 13.7608 14.1192 14.1192 14.2383 14.2383 15.1197 15.1197 15.5974 15.5974 16.3592 16.3592 17.5155 17.5155 17.8843 17.8843 18.8310 18.8310 k = 0.5000 0.2887 0.4631 ( 3400 PWs) bands (ev): -11.6907 -11.6907 1.3591 1.3591 3.1359 3.1359 3.2478 3.2478 7.8365 7.8365 8.1222 8.1222 9.0934 9.0934 9.5077 9.5077 9.6214 9.6214 9.8442 9.8442 10.1124 10.1124 10.3572 10.3572 10.4275 10.4275 10.7378 10.7378 10.8440 10.8440 10.9472 10.9472 11.0502 11.0502 11.4388 11.4388 11.6554 11.6554 11.7634 11.7634 12.0977 12.0977 12.3257 12.3257 12.5173 12.5173 13.0269 13.0269 13.1629 13.1629 13.2878 13.2878 13.5185 13.5185 13.7959 13.7959 14.1098 14.1098 14.2252 14.2252 15.0939 15.0939 15.7191 15.7191 16.4676 16.4676 17.4709 17.4709 17.7985 17.7985 18.9140 18.9140 k = 0.5000 0.2887 0.4460 ( 3388 PWs) bands (ev): -11.6914 -11.6914 1.3605 1.3605 3.1347 3.1347 3.2523 3.2523 7.7929 7.7929 8.1091 8.1091 9.1093 9.1093 9.5390 9.5390 9.6390 9.6390 9.8381 9.8381 10.1383 10.1383 10.3403 10.3403 10.4041 10.4041 10.7212 10.7212 10.8388 10.8388 10.9269 10.9269 11.0522 11.0522 11.4336 11.4336 11.6772 11.6772 11.7672 11.7672 12.1107 12.1107 12.3210 12.3210 12.5018 12.5018 13.0141 13.0141 13.1653 13.1653 13.2598 13.2598 13.5327 13.5327 13.8230 13.8230 14.1122 14.1122 14.2104 14.2104 15.0646 15.0646 15.8433 15.8433 16.5760 16.5760 17.4291 17.4291 17.7168 17.7168 18.9969 18.9969 k = 0.5000 0.2887 0.4288 ( 3398 PWs) bands (ev): -11.6922 -11.6922 1.3619 1.3619 3.1328 3.1328 3.2577 3.2577 7.7493 7.7493 8.0967 8.0967 9.1266 9.1266 9.5639 9.5639 9.6567 9.6567 9.8329 9.8329 10.1638 10.1638 10.3220 10.3220 10.3829 10.3829 10.7012 10.7012 10.8331 10.8331 10.9069 10.9069 11.0565 11.0565 11.4300 11.4300 11.6921 11.6921 11.7794 11.7794 12.1244 12.1244 12.3141 12.3141 12.4894 12.4894 13.0003 13.0003 13.1689 13.1689 13.2387 13.2387 13.5473 13.5473 13.8375 13.8375 14.1255 14.1255 14.1985 14.1985 15.0318 15.0318 15.9694 15.9694 16.6795 16.6795 17.3876 17.3876 17.6466 17.6466 19.0797 19.0797 k = 0.5000 0.2887 0.4117 ( 3398 PWs) bands (ev): -11.6931 -11.6931 1.3633 1.3633 3.1303 3.1303 3.2641 3.2641 7.7060 7.7060 8.0851 8.0851 9.1454 9.1454 9.5816 9.5816 9.6736 9.6736 9.8295 9.8295 10.1866 10.1866 10.3019 10.3019 10.3646 10.3646 10.6772 10.6772 10.8290 10.8290 10.8892 10.8892 11.0615 11.0615 11.4282 11.4282 11.7004 11.7004 11.7999 11.7999 12.1390 12.1390 12.3037 12.3037 12.4815 12.4815 12.9862 12.9862 13.1713 13.1713 13.2265 13.2265 13.5621 13.5621 13.8390 13.8390 14.1324 14.1324 14.2070 14.2070 14.9957 14.9957 16.0963 16.0963 16.7708 16.7708 17.3420 17.3420 17.5994 17.5994 19.1620 19.1620 k = 0.5000 0.2887 0.3945 ( 3402 PWs) bands (ev): -11.6939 -11.6939 1.3648 1.3648 3.1272 3.1272 3.2715 3.2715 7.6635 7.6635 8.0746 8.0746 9.1655 9.1655 9.5925 9.5925 9.6874 9.6874 9.8295 9.8295 10.2039 10.2039 10.2804 10.2804 10.3495 10.3495 10.6499 10.6499 10.8288 10.8288 10.8740 10.8740 11.0662 11.0662 11.4281 11.4281 11.7058 11.7058 11.8260 11.8260 12.1547 12.1547 12.2899 12.2899 12.4787 12.4787 12.9727 12.9727 13.1698 13.1698 13.2251 13.2251 13.5770 13.5770 13.8307 13.8307 14.1180 14.1180 14.2472 14.2472 14.9562 14.9562 16.2234 16.2234 16.8395 16.8395 17.2907 17.2907 17.5870 17.5870 19.2439 19.2439 k = 0.5000 0.2887 0.3774 ( 3406 PWs) bands (ev): -11.6948 -11.6948 1.3662 1.3662 3.1236 3.1236 3.2797 3.2797 7.6219 7.6219 8.0653 8.0653 9.1869 9.1869 9.5979 9.5979 9.6954 9.6954 9.8342 9.8342 10.2116 10.2116 10.2592 10.2592 10.3368 10.3368 10.6218 10.6218 10.8335 10.8335 10.8615 10.8615 11.0701 11.0701 11.4294 11.4294 11.7114 11.7114 11.8551 11.8551 12.1714 12.1714 12.2735 12.2735 12.4805 12.4805 12.9605 12.9605 13.1650 13.1650 13.2326 13.2326 13.5918 13.5918 13.8160 13.8160 14.0940 14.0940 14.3036 14.3036 14.9137 14.9137 16.3496 16.3496 16.8730 16.8730 17.2412 17.2412 17.6145 17.6145 19.3252 19.3252 k = 0.5000 0.2887 0.3602 ( 3406 PWs) bands (ev): -11.6958 -11.6958 1.3676 1.3676 3.1195 3.1195 3.2887 3.2887 7.5814 7.5814 8.0573 8.0573 9.2096 9.2096 9.5991 9.5991 9.6965 9.6965 9.8432 9.8432 10.2053 10.2053 10.2409 10.2409 10.3250 10.3250 10.5963 10.5963 10.8372 10.8372 10.8578 10.8578 11.0728 11.0728 11.4313 11.4313 11.7195 11.7195 11.8859 11.8859 12.1888 12.1888 12.2561 12.2561 12.4858 12.4858 12.9507 12.9507 13.1594 13.1594 13.2452 13.2452 13.6062 13.6062 13.7976 13.7976 14.0663 14.0663 14.3676 14.3676 14.8683 14.8683 16.4735 16.4735 16.8644 16.8644 17.2043 17.2043 17.6782 17.6782 19.4058 19.4058 k = 0.5000 0.2887 0.3431 ( 3408 PWs) bands (ev): -11.6967 -11.6967 1.3690 1.3690 3.1150 3.1150 3.2983 3.2983 7.5422 7.5422 8.0507 8.0507 9.2334 9.2334 9.5971 9.5971 9.6919 9.6919 9.8550 9.8550 10.1858 10.1858 10.2236 10.2236 10.3126 10.3126 10.5762 10.5762 10.8288 10.8288 10.8738 10.8738 11.0741 11.0741 11.4331 11.4331 11.7314 11.7314 11.9178 11.9178 12.2049 12.2049 12.2411 12.2411 12.4934 12.4934 12.9435 12.9435 13.1543 13.1543 13.2606 13.2606 13.6200 13.6200 13.7770 13.7770 14.0367 14.0367 14.4358 14.4358 14.8203 14.8203 16.5903 16.5903 16.8229 16.8229 17.1830 17.1830 17.7687 17.7687 19.4855 19.4855 k = 0.5000 0.2887 0.3259 ( 3400 PWs) bands (ev): -11.6977 -11.6977 1.3703 1.3703 3.1103 3.1103 3.3084 3.3084 7.5044 7.5044 8.0456 8.0456 9.2584 9.2584 9.5925 9.5925 9.6833 9.6833 9.8675 9.8675 10.1597 10.1597 10.2001 10.2001 10.3001 10.3001 10.5624 10.5624 10.8170 10.8170 10.9001 10.9001 11.0742 11.0742 11.4344 11.4344 11.7477 11.7477 11.9505 11.9505 12.2082 12.2082 12.2414 12.2414 12.5026 12.5026 12.9394 12.9394 13.1500 13.1500 13.2774 13.2774 13.6326 13.6326 13.7554 13.7554 14.0061 14.0061 14.5063 14.5063 14.7700 14.7700 16.6671 16.6671 16.7950 16.7950 17.1722 17.1722 17.8760 17.8760 19.5638 19.5638 k = 0.5000 0.2887 0.3088 ( 3396 PWs) bands (ev): -11.6986 -11.6986 1.3716 1.3716 3.1054 3.1054 3.3189 3.3189 7.4682 7.4682 8.0420 8.0420 9.2843 9.2843 9.5860 9.5860 9.6722 9.6722 9.8792 9.8792 10.1292 10.1292 10.1690 10.1690 10.2887 10.2887 10.5534 10.5534 10.8050 10.8050 10.9325 10.9325 11.0731 11.0731 11.4350 11.4350 11.7686 11.7686 11.9834 11.9834 12.1977 12.1977 12.2593 12.2593 12.5129 12.5129 12.9384 12.9384 13.1462 13.1462 13.2950 13.2950 13.6434 13.6434 13.7340 13.7340 13.9752 13.9752 14.5779 14.5779 14.7180 14.7180 16.6253 16.6253 16.8696 16.8696 17.1677 17.1677 17.9914 17.9914 19.6376 19.6376 k = 0.5000 0.2887 0.2916 ( 3402 PWs) bands (ev): -11.6996 -11.6996 1.3728 1.3728 3.1003 3.1003 3.3298 3.3298 7.4336 7.4336 8.0400 8.0400 9.3110 9.3110 9.5781 9.5781 9.6597 9.6597 9.8892 9.8892 10.0924 10.0924 10.1350 10.1350 10.2789 10.2789 10.5464 10.5464 10.7939 10.7939 10.9690 10.9690 11.0708 11.0708 11.4349 11.4349 11.7938 11.7938 12.0156 12.0156 12.1876 12.1876 12.2819 12.2819 12.5240 12.5240 12.9400 12.9400 13.1427 13.1427 13.3127 13.3127 13.6505 13.6505 13.7146 13.7146 13.9445 13.9445 14.6468 14.6468 14.6677 14.6677 16.5417 16.5417 16.9740 16.9740 17.1694 17.1694 18.1081 18.1081 19.6761 19.6761 k = 0.5000 0.2887 0.2744 ( 3402 PWs) bands (ev): -11.7005 -11.7005 1.3739 1.3739 3.0953 3.0953 3.3408 3.3408 7.4007 7.4007 8.0395 8.0395 9.3382 9.3382 9.5692 9.5692 9.6466 9.6466 9.8970 9.8970 10.0480 10.0480 10.1036 10.1036 10.2701 10.2701 10.5391 10.5391 10.7847 10.7847 11.0075 11.0075 11.0677 11.0677 11.4346 11.4346 11.8225 11.8225 12.0450 12.0450 12.1831 12.1831 12.3067 12.3067 12.5360 12.5360 12.9438 12.9438 13.1392 13.1392 13.3301 13.3301 13.6496 13.6496 13.7014 13.7014 13.9147 13.9147 14.6087 14.6087 14.7230 14.7230 16.4506 16.4506 17.0671 17.0671 17.1863 17.1863 18.2207 18.2207 19.6430 19.6430 k = 0.5000 0.2887 0.2573 ( 3402 PWs) bands (ev): -11.7014 -11.7014 1.3749 1.3749 3.0902 3.0902 3.3519 3.3519 7.3696 7.3696 8.0405 8.0405 9.3656 9.3656 9.5598 9.5598 9.6335 9.6335 9.9013 9.9013 9.9989 9.9989 10.0755 10.0755 10.2618 10.2618 10.5295 10.5295 10.7782 10.7782 11.0461 11.0461 11.0638 11.0638 11.4349 11.4349 11.8540 11.8540 12.0683 12.0683 12.1884 12.1884 12.3331 12.3331 12.5488 12.5488 12.9492 12.9492 13.1354 13.1354 13.3468 13.3468 13.6373 13.6373 13.6976 13.6976 13.8865 13.8865 14.5541 14.5541 14.7936 14.7936 16.3578 16.3578 17.1167 17.1167 17.2456 17.2456 18.3243 18.3243 19.5969 19.5969 k = 0.5000 0.2887 0.2401 ( 3406 PWs) bands (ev): -11.7023 -11.7023 1.3759 1.3759 3.0852 3.0852 3.3629 3.3629 7.3404 7.3404 8.0428 8.0428 9.3926 9.3926 9.5507 9.5507 9.6208 9.6208 9.8975 9.8975 9.9533 9.9533 10.0497 10.0497 10.2537 10.2537 10.5163 10.5163 10.7752 10.7752 11.0588 11.0588 11.0833 11.0833 11.4364 11.4364 11.8872 11.8872 12.0830 12.0830 12.2065 12.2065 12.3613 12.3613 12.5627 12.5627 12.9555 12.9555 13.1309 13.1309 13.3624 13.3624 13.6180 13.6180 13.6984 13.6984 13.8609 13.8609 14.4994 14.4994 14.8629 14.8629 16.2658 16.2658 17.1315 17.1315 17.3372 17.3372 18.4148 18.4148 19.5499 19.5499 k = 0.5000 0.2887 0.2230 ( 3404 PWs) bands (ev): -11.7032 -11.7032 1.3767 1.3767 3.0803 3.0803 3.3738 3.3738 7.3130 7.3130 8.0465 8.0465 9.4181 9.4181 9.5427 9.5427 9.6090 9.6090 9.8685 9.8685 9.9308 9.9308 10.0257 10.0257 10.2456 10.2456 10.4989 10.4989 10.7761 10.7761 11.0536 11.0536 11.1166 11.1166 11.4398 11.4398 11.9209 11.9209 12.0912 12.0912 12.2354 12.2354 12.3911 12.3911 12.5775 12.5775 12.9622 12.9622 13.1256 13.1256 13.3762 13.3762 13.5962 13.5962 13.6987 13.6987 13.8387 13.8387 14.4457 14.4457 14.9302 14.9302 16.1756 16.1756 17.1376 17.1376 17.4338 17.4338 18.4890 18.4890 19.5039 19.5039 k = 0.5000 0.2887 0.2058 ( 3404 PWs) bands (ev): -11.7040 -11.7040 1.3775 1.3775 3.0756 3.0756 3.3845 3.3845 7.2875 7.2875 8.0514 8.0514 9.4397 9.4397 9.5373 9.5373 9.5987 9.5987 9.8209 9.8209 9.9264 9.9264 10.0036 10.0036 10.2374 10.2374 10.4773 10.4773 10.7806 10.7806 11.0477 11.0477 11.1451 11.1451 11.4456 11.4456 11.9535 11.9535 12.0984 12.0984 12.2706 12.2706 12.4229 12.4229 12.5934 12.5934 12.9688 12.9688 13.1192 13.1192 13.3878 13.3878 13.5740 13.5740 13.6963 13.6963 13.8208 13.8208 14.3936 14.3936 14.9951 14.9951 16.0882 16.0882 17.1419 17.1419 17.5279 17.5279 18.5458 18.5458 19.4594 19.4594 k = 0.5000 0.2887 0.1887 ( 3402 PWs) bands (ev): -11.7048 -11.7048 1.3782 1.3782 3.0711 3.0711 3.3947 3.3947 7.2641 7.2641 8.0573 8.0573 9.4544 9.4544 9.5362 9.5362 9.5910 9.5910 9.7720 9.7720 9.9249 9.9249 9.9834 9.9834 10.2292 10.2292 10.4521 10.4521 10.7883 10.7883 11.0413 11.0413 11.1679 11.1679 11.4539 11.4539 11.9826 11.9826 12.1094 12.1094 12.3087 12.3087 12.4567 12.4567 12.6100 12.6100 12.9747 12.9747 13.1115 13.1115 13.3961 13.3961 13.5523 13.5523 13.6908 13.6908 13.8072 13.8072 14.3440 14.3440 15.0570 15.0570 16.0043 16.0043 17.1457 17.1457 17.6171 17.6171 18.5859 18.5859 19.4170 19.4170 k = 0.5000 0.2887 0.1715 ( 3398 PWs) bands (ev): -11.7055 -11.7055 1.3788 1.3788 3.0669 3.0669 3.4045 3.4045 7.2425 7.2425 8.0641 8.0641 9.4600 9.4600 9.5380 9.5380 9.5875 9.5875 9.7278 9.7278 9.9230 9.9230 9.9656 9.9656 10.2210 10.2210 10.4239 10.4239 10.7984 10.7984 11.0344 11.0344 11.1849 11.1849 11.4644 11.4644 12.0054 12.0054 12.1278 12.1278 12.3476 12.3476 12.4926 12.4926 12.6270 12.6270 12.9799 12.9799 13.1023 13.1023 13.4000 13.4000 13.5324 13.5324 13.6829 13.6829 13.7968 13.7968 14.2978 14.2978 15.1155 15.1155 15.9246 15.9246 17.1495 17.1495 17.7006 17.7006 18.6117 18.6117 19.3769 19.3769 k = 0.5000 0.2887 0.1544 ( 3398 PWs) bands (ev): -11.7062 -11.7062 1.3793 1.3793 3.0630 3.0630 3.4137 3.4137 7.2230 7.2230 8.0715 8.0715 9.4585 9.4585 9.5378 9.5378 9.5851 9.5851 9.6958 9.6958 9.9192 9.9192 9.9511 9.9511 10.2130 10.2130 10.3934 10.3934 10.8105 10.8105 11.0271 11.0271 11.1967 11.1967 11.4761 11.4761 12.0210 12.0210 12.1545 12.1545 12.3861 12.3861 12.5305 12.5305 12.6441 12.6441 12.9842 12.9842 13.0917 13.0917 13.3976 13.3976 13.5157 13.5157 13.6742 13.6742 13.7880 13.7880 14.2559 14.2559 15.1702 15.1702 15.8498 15.8498 17.1533 17.1533 17.7775 17.7775 18.6262 18.6262 19.3395 19.3395 k = 0.5000 0.2887 0.1372 ( 3402 PWs) bands (ev): -11.7069 -11.7069 1.3798 1.3798 3.0594 3.0594 3.4222 3.4222 7.2056 7.2056 8.0793 8.0793 9.4533 9.4533 9.5340 9.5340 9.5715 9.5715 9.6871 9.6871 9.9123 9.9123 9.9411 9.9411 10.2054 10.2054 10.3613 10.3613 10.8238 10.8238 11.0194 11.0194 11.2043 11.2043 11.4881 11.4881 12.0312 12.0312 12.1872 12.1872 12.4236 12.4236 12.5698 12.5698 12.6606 12.6606 12.9877 12.9877 13.0798 13.0798 13.3873 13.3873 13.5038 13.5038 13.6661 13.6661 13.7793 13.7793 14.2191 14.2191 15.2205 15.2205 15.7804 15.7804 17.1571 17.1571 17.8475 17.8475 18.6325 18.6325 19.3050 19.3050 k = 0.5000 0.2887 0.1201 ( 3404 PWs) bands (ev): -11.7074 -11.7074 1.3802 1.3802 3.0561 3.0561 3.4300 3.4300 7.1901 7.1901 8.0872 8.0872 9.4468 9.4468 9.5285 9.5285 9.5445 9.5445 9.7005 9.7005 9.9030 9.9030 9.9352 9.9352 10.1983 10.1983 10.3282 10.3282 10.8380 10.8380 11.0112 11.0112 11.2086 11.2086 11.4996 11.4996 12.0383 12.0383 12.2227 12.2227 12.4599 12.4599 12.6092 12.6092 12.6766 12.6766 12.9904 12.9904 13.0670 13.0670 13.3691 13.3691 13.4966 13.4966 13.6594 13.6594 13.7696 13.7696 14.1880 14.1880 15.2661 15.2661 15.7170 15.7170 17.1607 17.1607 17.9101 17.9101 18.6334 18.6334 19.2738 19.2738 k = 0.5000 0.2887 0.1029 ( 3412 PWs) bands (ev): -11.7079 -11.7079 1.3805 1.3805 3.0533 3.0533 3.4369 3.4369 7.1767 7.1767 8.0949 8.0949 9.4399 9.4399 9.5137 9.5137 9.5228 9.5228 9.7240 9.7240 9.8933 9.8933 9.9314 9.9314 10.1918 10.1918 10.2950 10.2950 10.8526 10.8526 11.0026 11.0026 11.2108 11.2108 11.5098 11.5098 12.0436 12.0436 12.2581 12.2581 12.4951 12.4951 12.6456 12.6456 12.6933 12.6933 12.9921 12.9921 13.0544 13.0544 13.3447 13.3447 13.4928 13.4928 13.6546 13.6546 13.7588 13.7588 14.1629 14.1629 15.3065 15.3065 15.6604 15.6604 17.1641 17.1641 17.9649 17.9649 18.6308 18.6308 19.2460 19.2460 k = 0.5000 0.2887 0.0858 ( 3408 PWs) bands (ev): -11.7084 -11.7084 1.3808 1.3808 3.0508 3.0508 3.4429 3.4429 7.1653 7.1653 8.1022 8.1022 9.4330 9.4330 9.4850 9.4850 9.5175 9.5175 9.7509 9.7509 9.8849 9.8849 9.9285 9.9285 10.1861 10.1861 10.2623 10.2623 10.8672 10.8672 10.9935 10.9935 11.2115 11.2115 11.5184 11.5184 12.0480 12.0480 12.2915 12.2915 12.5291 12.5291 12.6722 12.6722 12.7155 12.7155 12.9915 12.9915 13.0446 13.0446 13.3160 13.3160 13.4906 13.4906 13.6515 13.6515 13.7472 13.7472 14.1434 14.1434 15.3415 15.3415 15.6111 15.6111 17.1672 17.1672 18.0118 18.0118 18.6265 18.6265 19.2221 19.2221 k = 0.5000 0.2887 0.0686 ( 3404 PWs) bands (ev): -11.7087 -11.7087 1.3810 1.3810 3.0488 3.0488 3.4478 3.4478 7.1560 7.1560 8.1086 8.1086 9.4257 9.4257 9.4611 9.4611 9.5129 9.5129 9.7775 9.7775 9.8789 9.8789 9.9257 9.9257 10.1812 10.1812 10.2313 10.2313 10.8817 10.8817 10.9840 10.9840 11.2115 11.2115 11.5254 11.5254 12.0515 12.0515 12.3211 12.3211 12.5617 12.5617 12.6850 12.6850 12.7449 12.7449 12.9861 12.9861 13.0416 13.0416 13.2849 13.2849 13.4892 13.4892 13.6500 13.6500 13.7354 13.7354 14.1290 14.1290 15.3706 15.3706 15.5698 15.5698 17.1698 17.1698 18.0504 18.0504 18.6216 18.6216 19.2022 19.2022 k = 0.5000 0.2887 0.0515 ( 3404 PWs) bands (ev): -11.7090 -11.7090 1.3811 1.3811 3.0472 3.0472 3.4518 3.4518 7.1488 7.1488 8.1140 8.1140 9.4175 9.4175 9.4443 9.4443 9.5092 9.5092 9.8009 9.8009 9.8765 9.8765 9.9226 9.9226 10.1774 10.1774 10.2034 10.2034 10.8957 10.8957 10.9740 10.9740 11.2110 11.2110 11.5307 11.5307 12.0544 12.0544 12.3456 12.3456 12.5924 12.5924 12.6888 12.6888 12.7742 12.7742 12.9756 12.9756 13.0472 13.0472 13.2531 13.2531 13.4881 13.4881 13.6497 13.6497 13.7247 13.7247 14.1190 14.1190 15.3936 15.3936 15.5370 15.5370 17.1720 17.1720 18.0806 18.0806 18.6170 18.6170 19.1864 19.1864 k = 0.5000 0.2887 0.0343 ( 3402 PWs) bands (ev): -11.7092 -11.7092 1.3812 1.3812 3.0460 3.0460 3.4546 3.4546 7.1436 7.1436 8.1181 8.1181 9.4085 9.4085 9.4348 9.4348 9.5065 9.5065 9.8177 9.8177 9.8793 9.8793 9.9189 9.9189 10.1745 10.1745 10.1805 10.1805 10.9090 10.9090 10.9639 10.9639 11.2104 11.2104 11.5344 11.5344 12.0565 12.0565 12.3639 12.3639 12.6202 12.6202 12.6866 12.6866 12.7982 12.7982 12.9639 12.9639 13.0589 13.0589 13.2228 13.2228 13.4873 13.4873 13.6501 13.6501 13.7159 13.7159 14.1125 14.1125 15.4103 15.4103 15.5131 15.5131 17.1735 17.1735 18.1023 18.1023 18.6134 18.6134 19.1751 19.1751 k = 0.5000 0.2887 0.0172 ( 3402 PWs) bands (ev): -11.7093 -11.7093 1.3813 1.3813 3.0453 3.0453 3.4563 3.4563 7.1405 7.1405 8.1206 8.1206 9.4017 9.4017 9.4304 9.4304 9.5048 9.5048 9.8263 9.8263 9.8864 9.8864 9.9144 9.9144 10.1651 10.1651 10.1728 10.1728 10.9205 10.9205 10.9543 10.9543 11.2100 11.2100 11.5366 11.5366 12.0578 12.0578 12.3752 12.3752 12.6436 12.6436 12.6792 12.6792 12.8138 12.8138 12.9548 12.9548 13.0721 13.0721 13.1985 13.1985 13.4867 13.4867 13.6507 13.6507 13.7101 13.7101 14.1088 14.1088 15.4204 15.4204 15.4986 15.4986 17.1745 17.1745 18.1153 18.1153 18.6111 18.6111 19.1682 19.1682 k = 0.5000 0.2887-0.0000 ( 3408 PWs) bands (ev): -11.7093 -11.7093 1.3813 1.3813 3.0451 3.0451 3.4569 3.4569 7.1395 7.1395 8.1214 8.1214 9.3992 9.3992 9.4292 9.4292 9.5043 9.5043 9.8287 9.8287 9.8909 9.8909 9.9116 9.9116 10.1596 10.1596 10.1723 10.1723 10.9263 10.9263 10.9491 10.9491 11.2099 11.2099 11.5373 11.5373 12.0582 12.0582 12.3791 12.3791 12.6574 12.6574 12.6709 12.6709 12.8193 12.8193 12.9513 12.9513 13.0785 13.0785 13.1883 13.1883 13.4866 13.4866 13.6510 13.6510 13.7081 13.7081 14.1077 14.1077 15.4238 15.4238 15.4937 15.4937 17.1748 17.1748 18.1197 18.1197 18.6103 18.6103 19.1659 19.1659 k = 0.3333 0.5774-0.0000 ( 3390 PWs) bands (ev): -11.7083 -11.7083 1.3801 1.3801 3.0432 3.0432 3.4254 3.4254 7.6559 7.6559 7.7376 7.7376 9.2880 9.2880 9.4953 9.4953 9.5653 9.5653 9.6172 9.6172 9.8028 9.8028 10.0633 10.0633 10.1514 10.1514 10.2194 10.2194 10.9528 10.9528 11.3921 11.3921 11.5317 11.5317 11.6223 11.6223 11.7637 11.7637 11.9632 11.9632 12.6557 12.6557 12.6609 12.6609 12.8973 12.8973 12.9616 12.9616 13.0378 13.0378 13.0662 13.0662 13.5049 13.5049 13.6884 13.6884 14.0252 14.0252 14.1052 14.1052 14.3656 14.3656 15.3733 15.3733 17.6675 17.6675 18.4062 18.4062 18.5333 18.5333 18.9887 18.9887 k = 0.3333 0.5774 0.0172 ( 3390 PWs) bands (ev): -11.7083 -11.7083 1.3801 1.3801 3.0435 3.0435 3.4248 3.4248 7.6563 7.6563 7.7378 7.7378 9.2883 9.2883 9.4939 9.4939 9.5674 9.5674 9.6217 9.6217 9.7982 9.7982 10.0623 10.0623 10.1532 10.1532 10.2263 10.2263 10.9504 10.9504 11.3918 11.3918 11.5253 11.5253 11.6179 11.6179 11.7659 11.7659 11.9642 11.9642 12.6533 12.6533 12.6556 12.6556 12.8767 12.8767 12.9860 12.9860 13.0402 13.0402 13.0684 13.0684 13.5053 13.5053 13.6887 13.6887 14.0262 14.0262 14.1055 14.1055 14.3660 14.3660 15.3707 15.3707 17.6684 17.6684 18.4079 18.4079 18.5353 18.5353 18.9859 18.9859 k = 0.3333 0.5774 0.0343 ( 3402 PWs) bands (ev): -11.7082 -11.7082 1.3801 1.3801 3.0444 3.0444 3.4232 3.4232 7.6574 7.6574 7.7387 7.7387 9.2892 9.2892 9.4903 9.4903 9.5734 9.5734 9.6345 9.6345 9.7857 9.7857 10.0576 10.0576 10.1623 10.1623 10.2444 10.2444 10.9431 10.9431 11.3909 11.3909 11.5068 11.5068 11.6048 11.6048 11.7719 11.7719 11.9672 11.9672 12.6404 12.6404 12.6461 12.6461 12.8436 12.8436 13.0294 13.0294 13.0468 13.0468 13.0754 13.0754 13.5067 13.5067 13.6894 13.6894 14.0293 14.0293 14.1066 14.1066 14.3672 14.3672 15.3628 15.3628 17.6713 17.6713 18.4129 18.4129 18.5412 18.5412 18.9774 18.9774 k = 0.3333 0.5774 0.0515 ( 3408 PWs) bands (ev): -11.7080 -11.7080 1.3800 1.3800 3.0458 3.0458 3.4205 3.4205 7.6593 7.6593 7.7402 7.7402 9.2909 9.2909 9.4862 9.4862 9.5825 9.5825 9.6540 9.6540 9.7684 9.7684 10.0476 10.0476 10.1817 10.1817 10.2694 10.2694 10.9310 10.9310 11.3893 11.3893 11.4786 11.4786 11.5833 11.5833 11.7801 11.7801 11.9715 11.9715 12.6164 12.6164 12.6346 12.6346 12.8128 12.8128 13.0565 13.0565 13.0705 13.0705 13.0931 13.0931 13.5088 13.5088 13.6906 13.6906 14.0345 14.0345 14.1083 14.1083 14.3694 14.3694 15.3496 15.3496 17.6760 17.6760 18.4208 18.4208 18.5506 18.5506 18.9636 18.9636 k = 0.3333 0.5774 0.0686 ( 3402 PWs) bands (ev): -11.7077 -11.7077 1.3799 1.3799 3.0478 3.0478 3.4168 3.4168 7.6620 7.6620 7.7423 7.7423 9.2935 9.2935 9.4826 9.4826 9.5930 9.5930 9.6788 9.6788 9.7503 9.7503 10.0340 10.0340 10.2094 10.2094 10.2990 10.2990 10.9142 10.9142 11.3871 11.3871 11.4428 11.4428 11.5542 11.5542 11.7887 11.7887 11.9766 11.9766 12.5856 12.5856 12.6196 12.6196 12.7865 12.7865 13.0677 13.0677 13.0898 13.0898 13.1371 13.1371 13.5118 13.5118 13.6921 13.6921 14.0420 14.0420 14.1109 14.1109 14.3731 14.3731 15.3313 15.3313 17.6827 17.6827 18.4306 18.4306 18.5629 18.5629 18.9448 18.9448 k = 0.3333 0.5774 0.0858 ( 3396 PWs) bands (ev): -11.7073 -11.7073 1.3797 1.3797 3.0504 3.0504 3.4121 3.4121 7.6657 7.6657 7.7452 7.7452 9.2972 9.2972 9.4803 9.4803 9.6016 9.6016 9.7081 9.7081 9.7362 9.7362 10.0188 10.0188 10.2422 10.2422 10.3322 10.3322 10.8928 10.8928 11.3842 11.3842 11.4011 11.4011 11.5185 11.5185 11.7966 11.7966 11.9818 11.9818 12.5494 12.5494 12.6019 12.6019 12.7652 12.7652 13.0791 13.0791 13.1040 13.1040 13.1883 13.1883 13.5156 13.5156 13.6938 13.6938 14.0520 14.0520 14.1142 14.1142 14.3787 14.3787 15.3080 15.3080 17.6912 17.6912 18.4410 18.4410 18.5771 18.5771 18.9220 18.9220 k = 0.3333 0.5774 0.1029 ( 3405 PWs) bands (ev): -11.7069 -11.7069 1.3795 1.3795 3.0535 3.0535 3.4065 3.4065 7.6702 7.6702 7.7488 7.7488 9.3021 9.3021 9.4800 9.4800 9.6030 9.6030 9.7323 9.7323 9.7411 9.7411 10.0034 10.0034 10.2777 10.2777 10.3686 10.3686 10.8669 10.8669 11.3547 11.3547 11.3806 11.3806 11.4772 11.4772 11.8031 11.8031 11.9865 11.9865 12.5092 12.5092 12.5827 12.5827 12.7485 12.7485 13.0897 13.0897 13.1182 13.1182 13.2399 13.2399 13.5200 13.5200 13.6956 13.6956 14.0641 14.0641 14.1184 14.1184 14.3870 14.3870 15.2798 15.2798 17.7016 17.7016 18.4496 18.4496 18.5912 18.5912 18.8969 18.8969 k = 0.3333 0.5774 0.1201 ( 3402 PWs) bands (ev): -11.7064 -11.7064 1.3793 1.3793 3.0571 3.0571 3.3999 3.3999 7.6758 7.6758 7.7533 7.7533 9.3084 9.3084 9.4816 9.4816 9.5942 9.5942 9.7422 9.7422 9.7774 9.7774 9.9884 9.9884 10.3143 10.3143 10.4081 10.4081 10.8366 10.8366 11.3048 11.3048 11.3763 11.3763 11.4314 11.4314 11.8080 11.8080 11.9902 11.9902 12.4663 12.4663 12.5632 12.5632 12.7358 12.7358 13.0987 13.0987 13.1321 13.1321 13.2902 13.2902 13.5251 13.5251 13.6974 13.6974 14.0779 14.0779 14.1236 14.1236 14.3994 14.3994 15.2468 15.2468 17.7139 17.7139 18.4530 18.4530 18.6024 18.6024 18.8725 18.8725 k = 0.3333 0.5774 0.1372 ( 3408 PWs) bands (ev): -11.7059 -11.7059 1.3790 1.3790 3.0611 3.0611 3.3926 3.3926 7.6825 7.6825 7.7588 7.7588 9.3160 9.3160 9.4854 9.4854 9.5775 9.5775 9.7636 9.7636 9.8165 9.8165 9.9740 9.9740 10.3508 10.3508 10.4502 10.4502 10.8021 10.8021 11.2521 11.2521 11.3713 11.3713 11.3821 11.3821 11.8112 11.8112 11.9923 11.9923 12.4215 12.4215 12.5445 12.5445 12.7266 12.7266 13.1056 13.1056 13.1451 13.1451 13.3383 13.3383 13.5308 13.5308 13.6992 13.6992 14.0924 14.0924 14.1297 14.1297 14.4171 14.4171 15.2093 15.2093 17.7279 17.7279 18.4462 18.4462 18.6062 18.6062 18.8531 18.8531 k = 0.3333 0.5774 0.1544 ( 3408 PWs) bands (ev): -11.7053 -11.7053 1.3787 1.3787 3.0657 3.0657 3.3845 3.3845 7.6905 7.6905 7.7654 7.7654 9.3249 9.3249 9.4912 9.4912 9.5569 9.5569 9.7925 9.7925 9.8581 9.8581 9.9606 9.9606 10.3864 10.3864 10.4946 10.4946 10.7637 10.7637 11.1978 11.1978 11.3303 11.3303 11.3656 11.3656 11.8128 11.8128 11.9927 11.9927 12.3758 12.3758 12.5273 12.5273 12.7204 12.7204 13.1102 13.1102 13.1569 13.1569 13.3836 13.3836 13.5369 13.5369 13.7012 13.7012 14.1061 14.1061 14.1368 14.1368 14.4420 14.4420 15.1674 15.1674 17.7435 17.7435 18.4240 18.4240 18.5960 18.5960 18.8435 18.8435 k = 0.3333 0.5774 0.1715 ( 3414 PWs) bands (ev): -11.7046 -11.7046 1.3783 1.3783 3.0707 3.0707 3.3757 3.3757 7.6997 7.6997 7.7732 7.7732 9.3351 9.3351 9.4992 9.4992 9.5354 9.5354 9.8259 9.8259 9.9017 9.9017 9.9481 9.9481 10.4203 10.4203 10.5407 10.5407 10.7216 10.7216 11.1428 11.1428 11.2770 11.2770 11.3592 11.3592 11.8129 11.8129 11.9909 11.9909 12.3299 12.3299 12.5120 12.5120 12.7168 12.7168 13.1123 13.1123 13.1669 13.1669 13.4252 13.4252 13.5433 13.5433 13.7039 13.7039 14.1173 14.1173 14.1451 14.1451 14.4755 14.4755 15.1217 15.1217 17.7608 17.7608 18.3829 18.3829 18.5660 18.5660 18.8469 18.8469 k = 0.3333 0.5774 0.1887 ( 3402 PWs) bands (ev): -11.7039 -11.7039 1.3778 1.3778 3.0761 3.0761 3.3663 3.3663 7.7104 7.7104 7.7823 7.7823 9.3461 9.3461 9.5091 9.5091 9.5145 9.5145 9.8619 9.8619 9.9367 9.9367 9.9469 9.9469 10.4517 10.4517 10.5878 10.5878 10.6761 10.6761 11.0886 11.0886 11.2234 11.2234 11.3521 11.3521 11.8116 11.8116 11.9870 11.9870 12.2845 12.2845 12.4991 12.4991 12.7154 12.7154 13.1119 13.1119 13.1751 13.1751 13.4621 13.4621 13.5499 13.5499 13.7083 13.7083 14.1248 14.1248 14.1544 14.1544 14.5182 14.5182 15.0725 15.0725 17.7794 17.7794 18.3230 18.3230 18.5145 18.5145 18.8630 18.8630 k = 0.3333 0.5774 0.2058 ( 3396 PWs) bands (ev): -11.7031 -11.7031 1.3773 1.3773 3.0818 3.0818 3.3565 3.3565 7.7225 7.7225 7.7928 7.7928 9.3574 9.3574 9.4955 9.4955 9.5209 9.5209 9.8990 9.8990 9.9263 9.9263 9.9930 9.9930 10.4792 10.4792 10.6277 10.6277 10.6348 10.6348 11.0368 11.0368 11.1712 11.1712 11.3442 11.3442 11.8093 11.8093 11.9811 11.9811 12.2403 12.2403 12.4887 12.4887 12.7161 12.7161 13.1091 13.1091 13.1812 13.1812 13.4930 13.4930 13.5566 13.5566 13.7161 13.7161 14.1279 14.1279 14.1648 14.1648 14.5696 14.5696 15.0206 15.0206 17.7991 17.7991 18.2467 18.2467 18.4438 18.4438 18.8895 18.8895 k = 0.3333 0.5774 0.2230 ( 3396 PWs) bands (ev): -11.7023 -11.7023 1.3767 1.3767 3.0879 3.0879 3.3462 3.3462 7.7363 7.7363 7.8049 7.8049 9.3676 9.3676 9.4802 9.4802 9.5343 9.5343 9.9166 9.9166 9.9361 9.9361 10.0391 10.0391 10.5010 10.5010 10.5771 10.5771 10.6805 10.6805 10.9892 10.9892 11.1229 11.1229 11.3358 11.3358 11.8062 11.8062 11.9734 11.9734 12.1980 12.1980 12.4805 12.4805 12.7187 12.7187 13.1040 13.1040 13.1855 13.1855 13.5164 13.5164 13.5633 13.5633 13.7290 13.7290 14.1266 14.1266 14.1762 14.1762 14.6278 14.6278 14.9675 14.9675 17.8196 17.8196 18.1568 18.1568 18.3580 18.3580 18.9238 18.9238 k = 0.3333 0.5774 0.2401 ( 3402 PWs) bands (ev): -11.7014 -11.7014 1.3760 1.3760 3.0943 3.0943 3.3356 3.3356 7.7518 7.7518 7.8185 7.8185 9.3745 9.3745 9.4709 9.4709 9.5493 9.5493 9.9082 9.9082 9.9709 9.9709 10.0841 10.0841 10.5149 10.5149 10.5255 10.5255 10.7228 10.7228 10.9474 10.9474 11.0824 11.0824 11.3266 11.3266 11.8025 11.8025 11.9643 11.9643 12.1580 12.1580 12.4743 12.4743 12.7230 12.7230 13.0968 13.0968 13.1879 13.1879 13.5313 13.5313 13.5699 13.5699 13.7484 13.7484 14.1211 14.1211 14.1887 14.1887 14.6875 14.6875 14.9176 14.9176 17.8403 17.8403 18.0559 18.0559 18.2607 18.2607 18.9636 18.9636 k = 0.3333 0.5774 0.2573 ( 3417 PWs) bands (ev): -11.7006 -11.7006 1.3753 1.3753 3.1008 3.1008 3.3248 3.3248 7.7691 7.7691 7.8340 7.8340 9.3753 9.3753 9.4703 9.4703 9.5655 9.5655 9.9007 9.9007 10.0017 10.0017 10.1257 10.1257 10.4748 10.4748 10.5189 10.5189 10.7584 10.7584 10.9122 10.9122 11.0562 11.0562 11.3168 11.3168 11.7985 11.7985 11.9546 11.9546 12.1211 12.1211 12.4698 12.4698 12.7290 12.7290 13.0878 13.0878 13.1887 13.1887 13.5381 13.5381 13.5764 13.5764 13.7744 13.7744 14.1118 14.1118 14.2020 14.2020 14.7303 14.7303 14.8884 14.8884 17.8601 17.8601 17.9459 17.9459 18.1552 18.1552 19.0076 19.0076 k = 0.3333 0.5774 0.2744 ( 3417 PWs) bands (ev): -11.6997 -11.6997 1.3745 1.3745 3.1076 3.1076 3.3139 3.3139 7.7882 7.7882 7.8512 7.8512 9.3700 9.3700 9.4787 9.4787 9.5826 9.5826 9.8941 9.8941 10.0258 10.0258 10.1594 10.1594 10.4296 10.4296 10.5131 10.5131 10.7794 10.7794 10.8879 10.8879 11.0502 11.0502 11.3063 11.3063 11.7946 11.7946 11.9449 11.9449 12.0879 12.0879 12.4665 12.4665 12.7365 12.7365 13.0771 13.0771 13.1881 13.1881 13.5381 13.5381 13.5828 13.5828 13.8058 13.8058 14.0991 14.0991 14.2161 14.2161 14.7185 14.7185 14.9170 14.9170 17.8286 17.8286 17.8749 17.8749 18.0470 18.0470 19.0545 19.0545 k = 0.3333 0.5774 0.2916 ( 3414 PWs) bands (ev): -11.6987 -11.6987 1.3736 1.3736 3.1146 3.1146 3.3029 3.3029 7.8094 7.8094 7.8704 7.8704 9.3608 9.3608 9.4933 9.4933 9.6003 9.6003 9.8883 9.8883 10.0400 10.0400 10.1762 10.1762 10.3988 10.3988 10.5007 10.5007 10.7718 10.7718 10.8875 10.8875 11.0650 11.0650 11.2950 11.2950 11.7910 11.7910 11.9359 11.9359 12.0590 12.0590 12.4641 12.4641 12.7452 12.7452 13.0651 13.0651 13.1866 13.1866 13.5332 13.5332 13.5891 13.5891 13.8409 13.8409 14.0831 14.0831 14.2308 14.2308 14.6672 14.6672 14.9875 14.9875 17.7054 17.7054 17.8596 17.8596 17.9626 17.9626 19.1038 19.1038 k = 0.3333 0.5774 0.3088 ( 3402 PWs) bands (ev): -11.6978 -11.6978 1.3726 1.3726 3.1216 3.1216 3.2919 3.2919 7.8325 7.8325 7.8916 7.8916 9.3502 9.3502 9.5114 9.5114 9.6178 9.6178 9.8832 9.8832 10.0411 10.0411 10.1656 10.1656 10.3931 10.3931 10.4862 10.4862 10.7411 10.7411 10.9089 10.9089 11.0954 11.0954 11.2828 11.2828 11.7883 11.7883 11.9282 11.9282 12.0350 12.0350 12.4622 12.4622 12.7551 12.7551 13.0519 13.0519 13.1843 13.1843 13.5249 13.5249 13.5953 13.5953 13.8785 13.8785 14.0643 14.0643 14.2459 14.2459 14.6037 14.6037 15.0723 15.0723 17.5775 17.5775 17.7656 17.7656 17.9512 17.9512 19.1548 19.1548 k = 0.3333 0.5774 0.3259 ( 3414 PWs) bands (ev): -11.6969 -11.6969 1.3716 1.3716 3.1287 3.1287 3.2810 3.2810 7.8578 7.8578 7.9149 7.9149 9.3396 9.3396 9.5311 9.5311 9.6342 9.6342 9.8789 9.8789 10.0278 10.0278 10.1302 10.1302 10.4106 10.4106 10.4726 10.4726 10.7042 10.7042 10.9396 10.9396 11.1354 11.1354 11.2697 11.2697 11.7867 11.7867 11.9227 11.9227 12.0165 12.0165 12.4606 12.4606 12.7658 12.7658 13.0379 13.0379 13.1815 13.1815 13.5141 13.5141 13.6016 13.6016 13.9169 13.9169 14.0432 14.0432 14.2612 14.2612 14.5356 14.5356 15.1633 15.1633 17.4461 17.4461 17.6424 17.6424 17.9641 17.9641 19.2072 19.2072 k = 0.3333 0.5774 0.3431 ( 3414 PWs) bands (ev): -11.6959 -11.6959 1.3705 1.3705 3.1357 3.1357 3.2704 3.2704 7.8852 7.8852 7.9403 7.9403 9.3297 9.3297 9.5507 9.5507 9.6479 9.6479 9.8752 9.8752 10.0013 10.0013 10.0829 10.0829 10.4393 10.4393 10.4592 10.4592 10.6698 10.6698 10.9746 10.9746 11.1809 11.1809 11.2556 11.2556 11.7868 11.7868 11.9197 11.9197 12.0041 12.0041 12.4591 12.4591 12.7772 12.7772 13.0232 13.0232 13.1786 13.1786 13.5016 13.5016 13.6081 13.6081 13.9528 13.9528 14.0226 14.0226 14.2766 14.2766 14.4657 14.4657 15.2580 15.2580 17.3123 17.3123 17.5125 17.5125 17.9792 17.9792 19.2608 19.2608 k = 0.3333 0.5774 0.3602 ( 3408 PWs) bands (ev): -11.6950 -11.6950 1.3694 1.3694 3.1427 3.1427 3.2600 3.2600 7.9148 7.9148 7.9679 7.9679 9.3207 9.3207 9.5684 9.5684 9.6562 9.6562 9.8719 9.8719 9.9657 9.9657 10.0341 10.0341 10.4422 10.4422 10.4713 10.4713 10.6425 10.6425 11.0124 11.0124 11.2290 11.2290 11.2402 11.2402 11.7890 11.7890 11.9197 11.9197 11.9981 11.9981 12.4577 12.4577 12.7888 12.7888 13.0080 13.0080 13.1758 13.1758 13.4880 13.4880 13.6148 13.6148 13.9660 13.9660 14.0220 14.0220 14.2918 14.2918 14.3955 14.3955 15.3551 15.3551 17.1771 17.1771 17.3799 17.3799 17.9929 17.9929 19.3153 19.3153 k = 0.3333 0.5774 0.3774 ( 3405 PWs) bands (ev): -11.6941 -11.6941 1.3682 1.3682 3.1496 3.1496 3.2500 3.2500 7.9467 7.9467 7.9978 7.9978 9.3129 9.3129 9.5809 9.5809 9.6550 9.6550 9.8688 9.8688 9.9273 9.9273 9.9912 9.9912 10.4184 10.4184 10.5029 10.5029 10.6240 10.6240 11.0523 11.0523 11.2236 11.2236 11.2781 11.2781 11.7941 11.7941 11.9231 11.9231 11.9988 11.9988 12.4562 12.4562 12.8003 12.8003 12.9927 12.9927 13.1734 13.1734 13.4736 13.4736 13.6221 13.6221 13.9426 13.9426 14.0541 14.0541 14.3067 14.3067 14.3266 14.3266 15.4536 15.4536 17.0416 17.0416 17.2462 17.2462 18.0039 18.0039 19.3706 19.3706 k = 0.3333 0.5774 0.3945 ( 3393 PWs) bands (ev): -11.6932 -11.6932 1.3670 1.3670 3.1564 3.1564 3.2403 3.2403 7.9808 7.9808 8.0300 8.0300 9.3062 9.3062 9.5834 9.5834 9.6393 9.6393 9.8648 9.8648 9.8948 9.8948 9.9610 9.9610 10.3874 10.3874 10.5321 10.5321 10.6126 10.6126 11.0934 11.0934 11.2058 11.2058 11.3273 11.3273 11.8026 11.8026 11.9298 11.9298 12.0063 12.0063 12.4548 12.4548 12.8116 12.8116 12.9774 12.9774 13.1717 13.1717 13.4587 13.4587 13.6300 13.6300 13.9078 13.9078 14.0915 14.0915 14.2621 14.2621 14.3209 14.3209 15.5528 15.5528 16.9066 16.9066 17.1127 17.1127 18.0112 18.0112 19.4266 19.4266 k = 0.3333 0.5774 0.4117 ( 3405 PWs) bands (ev): -11.6924 -11.6924 1.3658 1.3658 3.1629 3.1629 3.2311 3.2311 8.0172 8.0172 8.0646 8.0646 9.3006 9.3006 9.5699 9.5699 9.6063 9.6063 9.8581 9.8581 9.8779 9.8779 9.9469 9.9469 10.3516 10.3516 10.5581 10.5581 10.6044 10.6044 11.1348 11.1348 11.1867 11.1867 11.3759 11.3759 11.8149 11.8149 11.9397 11.9397 12.0203 12.0203 12.4536 12.4536 12.8220 12.8220 12.9623 12.9623 13.1709 13.1709 13.4436 13.4436 13.6387 13.6387 13.8671 13.8671 14.1175 14.1175 14.2133 14.2133 14.3343 14.3343 15.6523 15.6523 16.7733 16.7733 16.9802 16.9802 18.0142 18.0142 19.4831 19.4831 k = 0.3333 0.5774 0.4288 ( 3402 PWs) bands (ev): -11.6916 -11.6916 1.3646 1.3646 3.1692 3.1692 3.2224 3.2224 8.0560 8.0560 8.1015 8.1015 9.2959 9.2959 9.5375 9.5375 9.5580 9.5580 9.8558 9.8558 9.8744 9.8744 9.9476 9.9476 10.3137 10.3137 10.5805 10.5805 10.5961 10.5961 11.1666 11.1666 11.1752 11.1752 11.4238 11.4238 11.8315 11.8315 11.9526 11.9526 12.0402 12.0402 12.4530 12.4530 12.8315 12.8315 12.9475 12.9475 13.1711 13.1711 13.4284 13.4284 13.6484 13.6484 13.8214 13.8214 14.0969 14.0969 14.2157 14.2157 14.3467 14.3467 15.7512 15.7512 16.6424 16.6424 16.8496 16.8496 18.0125 18.0125 19.5401 19.5401 k = 0.3333 0.5774 0.4460 ( 3402 PWs) bands (ev): -11.6908 -11.6908 1.3634 1.3634 3.1752 3.1752 3.2143 3.2143 8.0970 8.0970 8.1407 8.1407 9.2917 9.2917 9.4895 9.4895 9.4990 9.4990 9.8606 9.8606 9.8792 9.8792 9.9586 9.9586 10.2753 10.2753 10.5857 10.5857 10.5991 10.5991 11.1458 11.1458 11.2132 11.2132 11.4712 11.4712 11.8522 11.8522 11.9678 11.9678 12.0654 12.0654 12.4533 12.4533 12.8395 12.8395 12.9333 12.9333 13.1723 13.1723 13.4134 13.4134 13.6593 13.6593 13.7710 13.7710 14.0471 14.0471 14.2521 14.2521 14.3578 14.3578 15.8490 15.8490 16.5151 16.5151 16.7219 16.7219 18.0058 18.0058 19.5975 19.5975 k = 0.3333 0.5774 0.4631 ( 3402 PWs) bands (ev): -11.6901 -11.6901 1.3623 1.3623 3.1808 3.1808 3.2067 3.2067 8.1403 8.1403 8.1824 8.1824 9.2870 9.2870 9.4325 9.4325 9.4334 9.4334 9.8636 9.8636 9.8964 9.8964 9.9758 9.9758 10.2379 10.2379 10.5720 10.5720 10.6141 10.6141 11.1245 11.1245 11.2476 11.2476 11.5187 11.5187 11.8766 11.8766 11.9847 11.9847 12.0946 12.0946 12.4550 12.4550 12.8460 12.8460 12.9198 12.9198 13.1745 13.1745 13.3988 13.3988 13.6714 13.6714 13.7168 13.7168 13.9950 13.9950 14.2957 14.2957 14.3675 14.3675 15.9451 15.9451 16.3924 16.3924 16.5977 16.5977 17.9940 17.9940 19.6553 19.6553 k = 0.3333 0.5774 0.4803 ( 3408 PWs) bands (ev): -11.6894 -11.6894 1.3612 1.3612 3.1860 3.1860 3.1998 3.1998 8.1859 8.1859 8.2264 8.2264 9.2785 9.2785 9.3641 9.3641 9.3742 9.3742 9.8645 9.8645 9.9223 9.9223 9.9964 9.9964 10.2021 10.2021 10.5549 10.5549 10.6257 10.6257 11.1031 11.1031 11.2770 11.2770 11.5668 11.5668 11.9034 11.9034 12.0025 12.0025 12.1267 12.1267 12.4590 12.4590 12.8504 12.8504 12.9071 12.9071 13.1771 13.1771 13.3847 13.3847 13.6603 13.6603 13.6847 13.6847 13.9455 13.9455 14.3414 14.3414 14.3755 14.3755 16.0386 16.0386 16.2755 16.2755 16.4782 16.4782 17.9773 17.9773 19.7134 19.7134 k = 0.3333 0.5774 0.4974 ( 3408 PWs) bands (ev): -11.6888 -11.6888 1.3602 1.3602 3.1908 3.1908 3.1936 3.1936 8.2336 8.2336 8.2728 8.2728 9.2533 9.2533 9.2928 9.2928 9.3302 9.3302 9.8649 9.8649 9.9528 9.9528 10.0187 10.0187 10.1688 10.1688 10.5343 10.5343 10.6341 10.6341 11.0822 11.0822 11.3012 11.3012 11.6158 11.6158 11.9310 11.9310 12.0202 12.0202 12.1605 12.1605 12.4662 12.4662 12.8527 12.8527 12.8954 12.8954 13.1796 13.1796 13.3712 13.3712 13.6035 13.6035 13.6993 13.6993 13.8994 13.8994 14.3819 14.3819 14.3878 14.3878 16.1286 16.1286 16.1654 16.1654 16.3643 16.3643 17.9561 17.9561 19.7716 19.7716 k = 0.3333 0.5774 0.5146 ( 3408 PWs) bands (ev): -11.6882 -11.6882 1.3592 1.3592 3.1880 3.1880 3.1951 3.1951 8.2835 8.2835 8.3215 8.3215 9.2000 9.2000 9.2207 9.2207 9.3132 9.3132 9.8652 9.8652 9.9858 9.9858 10.0414 10.0414 10.1383 10.1383 10.5106 10.5106 10.6399 10.6399 11.0621 11.0621 11.3203 11.3203 11.6656 11.6656 11.9578 11.9578 12.0364 12.0364 12.1944 12.1944 12.4778 12.4778 12.8523 12.8523 12.8847 12.8847 13.1805 13.1805 13.3584 13.3584 13.5493 13.5493 13.7150 13.7150 13.8567 13.8567 14.3863 14.3863 14.4339 14.4339 16.0636 16.0636 16.2135 16.2135 16.2577 16.2577 17.9314 17.9314 19.8299 19.8299 k = 0.3333 0.5774 0.5317 ( 3408 PWs) bands (ev): -11.6877 -11.6877 1.3583 1.3583 3.1831 3.1831 3.1989 3.1989 8.3353 8.3353 8.3725 8.3725 9.1343 9.1343 9.1485 9.1485 9.3088 9.3088 9.8655 9.8655 10.0200 10.0200 10.0634 10.0634 10.1115 10.1115 10.4842 10.4842 10.6434 10.6434 11.0435 11.0435 11.3348 11.3348 11.7154 11.7154 11.9818 11.9818 12.0500 12.0500 12.2271 12.2271 12.4951 12.4951 12.8490 12.8490 12.8752 12.8752 13.1782 13.1782 13.3464 13.3464 13.5013 13.5013 13.7313 13.7313 13.8174 13.8174 14.3890 14.3890 14.4789 14.4789 15.9714 15.9714 16.1571 16.1571 16.2947 16.2947 17.9041 17.9041 19.8880 19.8966 k = 0.3333 0.5774 0.5489 ( 3402 PWs) bands (ev): -11.6873 -11.6873 1.3576 1.3576 3.1789 3.1789 3.2022 3.2022 8.3889 8.3889 8.4256 8.4256 9.0657 9.0657 9.0767 9.0767 9.3080 9.3080 9.8658 9.8658 10.0524 10.0524 10.0839 10.0839 10.0908 10.0908 10.4558 10.4558 10.6451 10.6451 11.0267 11.0267 11.3455 11.3455 11.7644 11.7644 12.0015 12.0015 12.0599 12.0599 12.2574 12.2574 12.5187 12.5187 12.8420 12.8420 12.8669 12.8669 13.1706 13.1706 13.3353 13.3353 13.4630 13.4630 13.7478 13.7478 13.7817 13.7817 14.3900 14.3900 14.5216 14.5216 15.8901 15.8901 16.0675 16.0675 16.3672 16.3672 17.8758 17.8758 19.9458 19.9718 k = 0.3333 0.5774 0.5660 ( 3414 PWs) bands (ev): -11.6869 -11.6869 1.3569 1.3569 3.1755 3.1755 3.2049 3.2049 8.4439 8.4439 8.4808 8.4808 8.9973 8.9973 9.0060 9.0060 9.3085 9.3085 9.8661 9.8661 10.0602 10.0602 10.0984 10.0984 10.1021 10.1021 10.4260 10.4260 10.6454 10.6454 11.0123 11.0123 11.3532 11.3532 11.8115 11.8115 12.0152 12.0152 12.0660 12.0660 12.2839 12.2839 12.5488 12.5488 12.8305 12.8305 12.8600 12.8600 13.1569 13.1569 13.3254 13.3254 13.4369 13.4369 13.7501 13.7501 13.7635 13.7635 14.3896 14.3896 14.5608 14.5608 15.8212 15.8212 15.9892 15.9892 16.4310 16.4310 17.8482 17.8482 20.0147 20.0147 k = 0.3333 0.5774 0.5832 ( 3408 PWs) bands (ev): -11.6867 -11.6867 1.3564 1.3564 3.1729 3.1729 3.2071 3.2071 8.4994 8.4994 8.5376 8.5376 8.9308 8.9308 8.9367 8.9367 9.3094 9.3094 9.8663 9.8663 10.0472 10.0472 10.1173 10.1173 10.1299 10.1299 10.3959 10.3959 10.6449 10.6449 11.0007 11.0007 11.3586 11.3586 11.8557 11.8557 12.0204 12.0204 12.0698 12.0698 12.3058 12.3058 12.5842 12.5842 12.8135 12.8135 12.8545 12.8545 13.1389 13.1389 13.3174 13.3174 13.4223 13.4223 13.7235 13.7235 13.7775 13.7775 14.3883 14.3883 14.5946 14.5946 15.7660 15.7660 15.9246 15.9246 16.4838 16.4838 17.8234 17.8234 20.0517 20.0517 k = 0.3333 0.5774 0.6003 ( 3408 PWs) bands (ev): -11.6865 -11.6865 1.3561 1.3561 3.1709 3.1709 3.2086 3.2086 8.5535 8.5535 8.5955 8.5955 8.8686 8.8686 8.8699 8.8699 9.3102 9.3102 9.8666 9.8666 10.0363 10.0363 10.1287 10.1287 10.1608 10.1608 10.3674 10.3674 10.6441 10.6441 10.9921 10.9921 11.3621 11.3621 11.8954 11.8954 12.0157 12.0157 12.0731 12.0731 12.3220 12.3220 12.6228 12.6228 12.7905 12.7905 12.8505 12.8505 13.1212 13.1212 13.3118 13.3118 13.4159 13.4159 13.7030 13.7030 13.7886 13.7886 14.3867 14.3867 14.6209 14.6209 15.7256 15.7256 15.8760 15.8760 16.5235 16.5235 17.8035 17.8035 20.0814 20.0814 k = 0.3333 0.5774 0.6175 ( 3414 PWs) bands (ev): -11.6864 -11.6864 1.3558 1.3558 3.1698 3.1698 3.2096 3.2096 8.6004 8.6004 8.6516 8.6516 8.8084 8.8084 8.8168 8.8168 9.3108 9.3108 9.8667 9.8667 10.0295 10.0295 10.1358 10.1358 10.1853 10.1853 10.3445 10.3445 10.6435 10.6435 10.9869 10.9869 11.3640 11.3640 11.9281 11.9281 12.0034 12.0034 12.0759 12.0759 12.3320 12.3320 12.6599 12.6599 12.7638 12.7638 12.8481 12.8481 13.1086 13.1086 13.3085 13.3085 13.4139 13.4139 13.6899 13.6899 13.7959 13.7959 14.3854 14.3854 14.6377 14.6377 15.7010 15.7010 15.8456 15.8456 16.5483 16.5483 17.7906 17.7906 20.1009 20.1009 k = 0.3333 0.5774 0.6347 ( 3402 PWs) bands (ev): -11.6863 -11.6863 1.3558 1.3558 3.1694 3.1694 3.2099 3.2099 8.6223 8.6223 8.6854 8.6854 8.7728 8.7728 8.7933 8.7933 9.3111 9.3111 9.8667 9.8667 10.0272 10.0272 10.1382 10.1382 10.1953 10.1953 10.3350 10.3350 10.6432 10.6432 10.9852 10.9852 11.3646 11.3646 11.9439 11.9439 11.9942 11.9942 12.0770 12.0770 12.3354 12.3354 12.6801 12.6801 12.7472 12.7472 12.8473 12.8473 13.1040 13.1040 13.3075 13.3075 13.4136 13.4136 13.6854 13.6854 13.7984 13.7984 14.3849 14.3849 14.6435 14.6435 15.6927 15.6927 15.8353 15.8353 16.5568 16.5568 17.7861 17.7861 20.1079 20.1079 Writing output data file BaPt5.save init_run : 0.49s CPU 0.63s WALL ( 1 calls) electrons : 281.59s CPU 285.67s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.03s CPU 0.04s WALL ( 1 calls) Called by electrons: c_bands : 281.58s CPU 285.65s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.01s WALL ( 1 calls) newd : 0.11s CPU 0.17s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.06s CPU 0.06s WALL ( 304 calls) cegterg : 264.29s CPU 267.78s WALL ( 549 calls) Called by sum_band: Called by *egterg: h_psi : 120.73s CPU 122.81s WALL ( 8879 calls) s_psi : 14.84s CPU 14.81s WALL ( 8879 calls) g_psi : 0.34s CPU 0.33s WALL ( 8026 calls) cdiaghg : 112.84s CPU 114.30s WALL ( 8330 calls) cegterg:over : 11.75s CPU 11.84s WALL ( 8026 calls) cegterg:upda : 9.00s CPU 9.05s WALL ( 8026 calls) cegterg:last : 4.85s CPU 4.83s WALL ( 1476 calls) cdiaghg:chol : 6.71s CPU 6.64s WALL ( 8330 calls) cdiaghg:inve : 4.76s CPU 4.86s WALL ( 8330 calls) cdiaghg:para : 8.28s CPU 8.46s WALL ( 16660 calls) Called by h_psi: h_psi:vloc : 92.77s CPU 94.53s WALL ( 8879 calls) h_psi:vnl : 27.57s CPU 27.95s WALL ( 8879 calls) add_vuspsi : 15.69s CPU 15.72s WALL ( 8879 calls) General routines calbec : 11.84s CPU 12.20s WALL ( 8879 calls) fft : 0.01s CPU 0.02s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 82.99s CPU 84.49s WALL ( 1377212 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.15s CPU 0.32s WALL ( 608 calls) Parallel routines fft_scatter : 33.43s CPU 34.35s WALL ( 1377235 calls) PWSCF : 4m59.84s CPU 5m15.37s WALL This run was terminated on: 14: 7:28 3Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=