Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 18:57:45 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: ./SrHg2.save/ file Hg.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 6S 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 69 28 8 2185 570 94 Max 70 29 9 2188 587 99 Sum 2491 1039 313 78713 20929 3461 bravais-lattice index = 14 lattice parameter (alat) = 9.3145 a.u. unit-cell volume = 549.3429 (a.u.)^3 number of atoms/cell = 3 number of atomic types = 2 number of electrons = 34.00 number of Kohn-Sham states= 42 kinetic-energy cutoff = 43.0000 Ry charge density cutoff = 416.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 9.314459 celldm(2)= 1.000000 celldm(3)= 0.784946 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 0.784946 ) 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 1.273973 ) PseudoPot. # 1 for Hg read from file: /users/gautes/Pseudo/Hg.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: a7fd98bfb2640362c6e2ed76594f1960 Pseudo is Ultrasoft + core correction, Zval = 12.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1279 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Sr read from file: /users/gautes/Pseudo/Sr.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 971034ad0a3914f6282d12395b0824f8 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 1221 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 Hg 12.00 200.59000 Hg( 1.00) Sr 10.00 87.62000 Sr( 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= 336 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029762 k( 2) = ( 0.0135135 0.0078020 -0.0000000), wk = 0.0029762 k( 3) = ( 0.0270270 0.0156041 -0.0000000), wk = 0.0029762 k( 4) = ( 0.0405405 0.0234061 -0.0000000), wk = 0.0029762 k( 5) = ( 0.0540540 0.0312081 -0.0000000), wk = 0.0029762 k( 6) = ( 0.0675676 0.0390102 -0.0000000), wk = 0.0029762 k( 7) = ( 0.0810811 0.0468122 -0.0000000), wk = 0.0029762 k( 8) = ( 0.0945946 0.0546142 -0.0000000), wk = 0.0029762 k( 9) = ( 0.1081081 0.0624162 -0.0000000), wk = 0.0029762 k( 10) = ( 0.1216216 0.0702183 -0.0000000), wk = 0.0029762 k( 11) = ( 0.1351351 0.0780203 -0.0000000), wk = 0.0029762 k( 12) = ( 0.1486486 0.0858223 -0.0000000), wk = 0.0029762 k( 13) = ( 0.1621622 0.0936244 -0.0000000), wk = 0.0029762 k( 14) = ( 0.1756757 0.1014264 -0.0000000), wk = 0.0029762 k( 15) = ( 0.1891892 0.1092284 -0.0000000), wk = 0.0029762 k( 16) = ( 0.2027027 0.1170305 -0.0000000), wk = 0.0029762 k( 17) = ( 0.2162162 0.1248325 -0.0000000), wk = 0.0029762 k( 18) = ( 0.2297297 0.1326345 -0.0000000), wk = 0.0029762 k( 19) = ( 0.2432432 0.1404366 -0.0000000), wk = 0.0029762 k( 20) = ( 0.2567568 0.1482386 -0.0000000), wk = 0.0029762 k( 21) = ( 0.2702703 0.1560406 -0.0000000), wk = 0.0029762 k( 22) = ( 0.2837838 0.1638426 -0.0000000), wk = 0.0029762 k( 23) = ( 0.2972973 0.1716447 -0.0000000), wk = 0.0029762 k( 24) = ( 0.3108108 0.1794467 -0.0000000), wk = 0.0029762 k( 25) = ( 0.3243243 0.1872487 -0.0000000), wk = 0.0029762 k( 26) = ( 0.3378378 0.1950508 -0.0000000), wk = 0.0029762 k( 27) = ( 0.3513514 0.2028528 -0.0000000), wk = 0.0029762 k( 28) = ( 0.3648649 0.2106548 -0.0000000), wk = 0.0029762 k( 29) = ( 0.3783784 0.2184569 -0.0000000), wk = 0.0029762 k( 30) = ( 0.3918919 0.2262589 -0.0000000), wk = 0.0029762 k( 31) = ( 0.4054054 0.2340609 -0.0000000), wk = 0.0029762 k( 32) = ( 0.4189189 0.2418630 -0.0000000), wk = 0.0029762 k( 33) = ( 0.4324324 0.2496650 -0.0000000), wk = 0.0029762 k( 34) = ( 0.4459459 0.2574670 -0.0000000), wk = 0.0029762 k( 35) = ( 0.4594595 0.2652690 -0.0000000), wk = 0.0029762 k( 36) = ( 0.4729730 0.2730711 -0.0000000), wk = 0.0029762 k( 37) = ( 0.4864865 0.2808731 -0.0000000), wk = 0.0029762 k( 38) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0029762 k( 39) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0029762 k( 40) = ( 0.4924242 0.3017967 -0.0000000), wk = 0.0029762 k( 41) = ( 0.4848485 0.3149183 -0.0000000), wk = 0.0029762 k( 42) = ( 0.4772727 0.3280399 -0.0000000), wk = 0.0029762 k( 43) = ( 0.4696970 0.3411615 -0.0000000), wk = 0.0029762 k( 44) = ( 0.4621212 0.3542831 -0.0000000), wk = 0.0029762 k( 45) = ( 0.4545455 0.3674047 -0.0000000), wk = 0.0029762 k( 46) = ( 0.4469697 0.3805263 -0.0000000), wk = 0.0029762 k( 47) = ( 0.4393939 0.3936479 -0.0000000), wk = 0.0029762 k( 48) = ( 0.4318182 0.4067695 -0.0000000), wk = 0.0029762 k( 49) = ( 0.4242424 0.4198911 -0.0000000), wk = 0.0029762 k( 50) = ( 0.4166667 0.4330127 -0.0000000), wk = 0.0029762 k( 51) = ( 0.4090909 0.4461343 -0.0000000), wk = 0.0029762 k( 52) = ( 0.4015151 0.4592559 -0.0000000), wk = 0.0029762 k( 53) = ( 0.3939394 0.4723775 -0.0000000), wk = 0.0029762 k( 54) = ( 0.3863636 0.4854991 -0.0000000), wk = 0.0029762 k( 55) = ( 0.3787879 0.4986207 -0.0000000), wk = 0.0029762 k( 56) = ( 0.3712121 0.5117423 -0.0000000), wk = 0.0029762 k( 57) = ( 0.3636364 0.5248639 -0.0000000), wk = 0.0029762 k( 58) = ( 0.3560606 0.5379855 -0.0000000), wk = 0.0029762 k( 59) = ( 0.3484849 0.5511071 -0.0000000), wk = 0.0029762 k( 60) = ( 0.3409091 0.5642287 -0.0000000), wk = 0.0029762 k( 61) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0029762 k( 62) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0029762 k( 63) = ( 0.3255814 0.5639235 -0.0000000), wk = 0.0029762 k( 64) = ( 0.3178295 0.5504968 -0.0000000), wk = 0.0029762 k( 65) = ( 0.3100775 0.5370700 -0.0000000), wk = 0.0029762 k( 66) = ( 0.3023256 0.5236433 -0.0000000), wk = 0.0029762 k( 67) = ( 0.2945736 0.5102165 -0.0000000), wk = 0.0029762 k( 68) = ( 0.2868217 0.4967898 -0.0000000), wk = 0.0029762 k( 69) = ( 0.2790698 0.4833630 -0.0000000), wk = 0.0029762 k( 70) = ( 0.2713178 0.4699363 -0.0000000), wk = 0.0029762 k( 71) = ( 0.2635659 0.4565095 -0.0000000), wk = 0.0029762 k( 72) = ( 0.2558140 0.4430828 -0.0000000), wk = 0.0029762 k( 73) = ( 0.2480620 0.4296560 -0.0000000), wk = 0.0029762 k( 74) = ( 0.2403101 0.4162293 -0.0000000), wk = 0.0029762 k( 75) = ( 0.2325581 0.4028025 -0.0000000), wk = 0.0029762 k( 76) = ( 0.2248062 0.3893758 -0.0000000), wk = 0.0029762 k( 77) = ( 0.2170543 0.3759490 -0.0000000), wk = 0.0029762 k( 78) = ( 0.2093023 0.3625223 -0.0000000), wk = 0.0029762 k( 79) = ( 0.2015504 0.3490955 -0.0000000), wk = 0.0029762 k( 80) = ( 0.1937985 0.3356688 -0.0000000), wk = 0.0029762 k( 81) = ( 0.1860465 0.3222420 -0.0000000), wk = 0.0029762 k( 82) = ( 0.1782946 0.3088153 -0.0000000), wk = 0.0029762 k( 83) = ( 0.1705426 0.2953885 -0.0000000), wk = 0.0029762 k( 84) = ( 0.1627907 0.2819618 -0.0000000), wk = 0.0029762 k( 85) = ( 0.1550388 0.2685350 -0.0000000), wk = 0.0029762 k( 86) = ( 0.1472868 0.2551083 -0.0000000), wk = 0.0029762 k( 87) = ( 0.1395349 0.2416815 -0.0000000), wk = 0.0029762 k( 88) = ( 0.1317830 0.2282548 -0.0000000), wk = 0.0029762 k( 89) = ( 0.1240310 0.2148280 -0.0000000), wk = 0.0029762 k( 90) = ( 0.1162791 0.2014013 -0.0000000), wk = 0.0029762 k( 91) = ( 0.1085271 0.1879745 -0.0000000), wk = 0.0029762 k( 92) = ( 0.1007752 0.1745477 -0.0000000), wk = 0.0029762 k( 93) = ( 0.0930233 0.1611210 -0.0000000), wk = 0.0029762 k( 94) = ( 0.0852713 0.1476943 -0.0000000), wk = 0.0029762 k( 95) = ( 0.0775194 0.1342675 -0.0000000), wk = 0.0029762 k( 96) = ( 0.0697674 0.1208408 -0.0000000), wk = 0.0029762 k( 97) = ( 0.0620155 0.1074140 -0.0000000), wk = 0.0029762 k( 98) = ( 0.0542636 0.0939873 -0.0000000), wk = 0.0029762 k( 99) = ( 0.0465116 0.0805605 -0.0000000), wk = 0.0029762 k( 100) = ( 0.0387597 0.0671338 -0.0000000), wk = 0.0029762 k( 101) = ( 0.0310078 0.0537070 -0.0000000), wk = 0.0029762 k( 102) = ( 0.0232558 0.0402802 -0.0000000), wk = 0.0029762 k( 103) = ( 0.0155039 0.0268535 -0.0000000), wk = 0.0029762 k( 104) = ( 0.0077519 0.0134268 -0.0000000), wk = 0.0029762 k( 105) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029762 k( 106) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029762 k( 107) = ( 0.0000000 0.0000000 0.0155362), wk = 0.0029762 k( 108) = ( 0.0000000 0.0000000 0.0310725), wk = 0.0029762 k( 109) = ( 0.0000000 0.0000000 0.0466088), wk = 0.0029762 k( 110) = ( 0.0000000 0.0000000 0.0621450), wk = 0.0029762 k( 111) = ( 0.0000000 0.0000000 0.0776813), wk = 0.0029762 k( 112) = ( 0.0000000 0.0000000 0.0932175), wk = 0.0029762 k( 113) = ( 0.0000000 0.0000000 0.1087538), wk = 0.0029762 k( 114) = ( 0.0000000 0.0000000 0.1242900), wk = 0.0029762 k( 115) = ( 0.0000000 0.0000000 0.1398263), wk = 0.0029762 k( 116) = ( 0.0000000 0.0000000 0.1553625), wk = 0.0029762 k( 117) = ( 0.0000000 0.0000000 0.1708988), wk = 0.0029762 k( 118) = ( 0.0000000 0.0000000 0.1864350), wk = 0.0029762 k( 119) = ( 0.0000000 0.0000000 0.2019713), wk = 0.0029762 k( 120) = ( 0.0000000 0.0000000 0.2175075), wk = 0.0029762 k( 121) = ( 0.0000000 0.0000000 0.2330438), wk = 0.0029762 k( 122) = ( 0.0000000 0.0000000 0.2485800), wk = 0.0029762 k( 123) = ( 0.0000000 0.0000000 0.2641163), wk = 0.0029762 k( 124) = ( 0.0000000 0.0000000 0.2796525), wk = 0.0029762 k( 125) = ( 0.0000000 0.0000000 0.2951888), wk = 0.0029762 k( 126) = ( 0.0000000 0.0000000 0.3107250), wk = 0.0029762 k( 127) = ( 0.0000000 0.0000000 0.3262613), wk = 0.0029762 k( 128) = ( 0.0000000 0.0000000 0.3417975), wk = 0.0029762 k( 129) = ( 0.0000000 0.0000000 0.3573338), wk = 0.0029762 k( 130) = ( 0.0000000 0.0000000 0.3728700), wk = 0.0029762 k( 131) = ( 0.0000000 0.0000000 0.3884063), wk = 0.0029762 k( 132) = ( 0.0000000 0.0000000 0.4039425), wk = 0.0029762 k( 133) = ( 0.0000000 0.0000000 0.4194788), wk = 0.0029762 k( 134) = ( 0.0000000 0.0000000 0.4350150), wk = 0.0029762 k( 135) = ( 0.0000000 0.0000000 0.4505513), wk = 0.0029762 k( 136) = ( 0.0000000 0.0000000 0.4660875), wk = 0.0029762 k( 137) = ( 0.0000000 0.0000000 0.4816238), wk = 0.0029762 k( 138) = ( 0.0000000 0.0000000 0.4971600), wk = 0.0029762 k( 139) = ( 0.0000000 0.0000000 0.5126963), wk = 0.0029762 k( 140) = ( 0.0000000 0.0000000 0.5282325), wk = 0.0029762 k( 141) = ( 0.0000000 0.0000000 0.5437688), wk = 0.0029762 k( 142) = ( 0.0000000 0.0000000 0.5593050), wk = 0.0029762 k( 143) = ( 0.0000000 0.0000000 0.5748413), wk = 0.0029762 k( 144) = ( 0.0000000 0.0000000 0.5903775), wk = 0.0029762 k( 145) = ( 0.0000000 0.0000000 0.6059138), wk = 0.0029762 k( 146) = ( 0.0000000 0.0000000 0.6214501), wk = 0.0029762 k( 147) = ( 0.0000000 0.0000000 0.6369863), wk = 0.0029762 k( 148) = ( 0.0000000 0.0000000 0.6369863), wk = 0.0029762 k( 149) = ( 0.0135135 0.0078020 0.6369863), wk = 0.0029762 k( 150) = ( 0.0270270 0.0156041 0.6369863), wk = 0.0029762 k( 151) = ( 0.0405405 0.0234061 0.6369863), wk = 0.0029762 k( 152) = ( 0.0540540 0.0312081 0.6369863), wk = 0.0029762 k( 153) = ( 0.0675676 0.0390102 0.6369863), wk = 0.0029762 k( 154) = ( 0.0810811 0.0468122 0.6369863), wk = 0.0029762 k( 155) = ( 0.0945946 0.0546142 0.6369863), wk = 0.0029762 k( 156) = ( 0.1081081 0.0624162 0.6369863), wk = 0.0029762 k( 157) = ( 0.1216216 0.0702183 0.6369863), wk = 0.0029762 k( 158) = ( 0.1351351 0.0780203 0.6369863), wk = 0.0029762 k( 159) = ( 0.1486486 0.0858223 0.6369863), wk = 0.0029762 k( 160) = ( 0.1621622 0.0936244 0.6369863), wk = 0.0029762 k( 161) = ( 0.1756757 0.1014264 0.6369863), wk = 0.0029762 k( 162) = ( 0.1891892 0.1092284 0.6369863), wk = 0.0029762 k( 163) = ( 0.2027027 0.1170305 0.6369863), wk = 0.0029762 k( 164) = ( 0.2162162 0.1248325 0.6369863), wk = 0.0029762 k( 165) = ( 0.2297297 0.1326345 0.6369863), wk = 0.0029762 k( 166) = ( 0.2432432 0.1404366 0.6369863), wk = 0.0029762 k( 167) = ( 0.2567568 0.1482386 0.6369863), wk = 0.0029762 k( 168) = ( 0.2702703 0.1560406 0.6369863), wk = 0.0029762 k( 169) = ( 0.2837838 0.1638426 0.6369863), wk = 0.0029762 k( 170) = ( 0.2972973 0.1716447 0.6369863), wk = 0.0029762 k( 171) = ( 0.3108108 0.1794467 0.6369863), wk = 0.0029762 k( 172) = ( 0.3243243 0.1872487 0.6369863), wk = 0.0029762 k( 173) = ( 0.3378378 0.1950508 0.6369863), wk = 0.0029762 k( 174) = ( 0.3513514 0.2028528 0.6369863), wk = 0.0029762 k( 175) = ( 0.3648649 0.2106548 0.6369863), wk = 0.0029762 k( 176) = ( 0.3783784 0.2184569 0.6369863), wk = 0.0029762 k( 177) = ( 0.3918919 0.2262589 0.6369863), wk = 0.0029762 k( 178) = ( 0.4054054 0.2340609 0.6369863), wk = 0.0029762 k( 179) = ( 0.4189189 0.2418630 0.6369863), wk = 0.0029762 k( 180) = ( 0.4324324 0.2496650 0.6369863), wk = 0.0029762 k( 181) = ( 0.4459459 0.2574670 0.6369863), wk = 0.0029762 k( 182) = ( 0.4594595 0.2652690 0.6369863), wk = 0.0029762 k( 183) = ( 0.4729730 0.2730711 0.6369863), wk = 0.0029762 k( 184) = ( 0.4864865 0.2808731 0.6369863), wk = 0.0029762 k( 185) = ( 0.5000000 0.2886751 0.6369863), wk = 0.0029762 k( 186) = ( 0.5000000 0.2886751 0.6369863), wk = 0.0029762 k( 187) = ( 0.4924242 0.3017967 0.6369863), wk = 0.0029762 k( 188) = ( 0.4848485 0.3149183 0.6369863), wk = 0.0029762 k( 189) = ( 0.4772727 0.3280399 0.6369863), wk = 0.0029762 k( 190) = ( 0.4696970 0.3411615 0.6369863), wk = 0.0029762 k( 191) = ( 0.4621212 0.3542831 0.6369863), wk = 0.0029762 k( 192) = ( 0.4545455 0.3674047 0.6369863), wk = 0.0029762 k( 193) = ( 0.4469697 0.3805263 0.6369863), wk = 0.0029762 k( 194) = ( 0.4393939 0.3936479 0.6369863), wk = 0.0029762 k( 195) = ( 0.4318182 0.4067695 0.6369863), wk = 0.0029762 k( 196) = ( 0.4242424 0.4198911 0.6369863), wk = 0.0029762 k( 197) = ( 0.4166667 0.4330127 0.6369863), wk = 0.0029762 k( 198) = ( 0.4090909 0.4461343 0.6369863), wk = 0.0029762 k( 199) = ( 0.4015151 0.4592559 0.6369863), wk = 0.0029762 k( 200) = ( 0.3939394 0.4723775 0.6369863), wk = 0.0029762 k( 201) = ( 0.3863636 0.4854991 0.6369863), wk = 0.0029762 k( 202) = ( 0.3787879 0.4986207 0.6369863), wk = 0.0029762 k( 203) = ( 0.3712121 0.5117423 0.6369863), wk = 0.0029762 k( 204) = ( 0.3636364 0.5248639 0.6369863), wk = 0.0029762 k( 205) = ( 0.3560606 0.5379855 0.6369863), wk = 0.0029762 k( 206) = ( 0.3484849 0.5511071 0.6369863), wk = 0.0029762 k( 207) = ( 0.3409091 0.5642287 0.6369863), wk = 0.0029762 k( 208) = ( 0.3333333 0.5773503 0.6369863), wk = 0.0029762 k( 209) = ( 0.3333333 0.5773503 0.6369863), wk = 0.0029762 k( 210) = ( 0.3255814 0.5639235 0.6369863), wk = 0.0029762 k( 211) = ( 0.3178295 0.5504968 0.6369863), wk = 0.0029762 k( 212) = ( 0.3100775 0.5370700 0.6369863), wk = 0.0029762 k( 213) = ( 0.3023256 0.5236433 0.6369863), wk = 0.0029762 k( 214) = ( 0.2945736 0.5102165 0.6369863), wk = 0.0029762 k( 215) = ( 0.2868217 0.4967898 0.6369863), wk = 0.0029762 k( 216) = ( 0.2790698 0.4833630 0.6369863), wk = 0.0029762 k( 217) = ( 0.2713178 0.4699363 0.6369863), wk = 0.0029762 k( 218) = ( 0.2635659 0.4565095 0.6369863), wk = 0.0029762 k( 219) = ( 0.2558140 0.4430828 0.6369863), wk = 0.0029762 k( 220) = ( 0.2480620 0.4296560 0.6369863), wk = 0.0029762 k( 221) = ( 0.2403101 0.4162293 0.6369863), wk = 0.0029762 k( 222) = ( 0.2325581 0.4028025 0.6369863), wk = 0.0029762 k( 223) = ( 0.2248062 0.3893758 0.6369863), wk = 0.0029762 k( 224) = ( 0.2170543 0.3759490 0.6369863), wk = 0.0029762 k( 225) = ( 0.2093023 0.3625223 0.6369863), wk = 0.0029762 k( 226) = ( 0.2015504 0.3490955 0.6369863), wk = 0.0029762 k( 227) = ( 0.1937985 0.3356688 0.6369863), wk = 0.0029762 k( 228) = ( 0.1860465 0.3222420 0.6369863), wk = 0.0029762 k( 229) = ( 0.1782946 0.3088153 0.6369863), wk = 0.0029762 k( 230) = ( 0.1705426 0.2953885 0.6369863), wk = 0.0029762 k( 231) = ( 0.1627907 0.2819618 0.6369863), wk = 0.0029762 k( 232) = ( 0.1550388 0.2685350 0.6369863), wk = 0.0029762 k( 233) = ( 0.1472868 0.2551083 0.6369863), wk = 0.0029762 k( 234) = ( 0.1395349 0.2416815 0.6369863), wk = 0.0029762 k( 235) = ( 0.1317830 0.2282548 0.6369863), wk = 0.0029762 k( 236) = ( 0.1240310 0.2148280 0.6369863), wk = 0.0029762 k( 237) = ( 0.1162791 0.2014013 0.6369863), wk = 0.0029762 k( 238) = ( 0.1085271 0.1879745 0.6369863), wk = 0.0029762 k( 239) = ( 0.1007752 0.1745477 0.6369863), wk = 0.0029762 k( 240) = ( 0.0930233 0.1611210 0.6369863), wk = 0.0029762 k( 241) = ( 0.0852713 0.1476943 0.6369863), wk = 0.0029762 k( 242) = ( 0.0775194 0.1342675 0.6369863), wk = 0.0029762 k( 243) = ( 0.0697674 0.1208408 0.6369863), wk = 0.0029762 k( 244) = ( 0.0620155 0.1074140 0.6369863), wk = 0.0029762 k( 245) = ( 0.0542636 0.0939873 0.6369863), wk = 0.0029762 k( 246) = ( 0.0465116 0.0805605 0.6369863), wk = 0.0029762 k( 247) = ( 0.0387597 0.0671338 0.6369863), wk = 0.0029762 k( 248) = ( 0.0310078 0.0537070 0.6369863), wk = 0.0029762 k( 249) = ( 0.0232558 0.0402802 0.6369863), wk = 0.0029762 k( 250) = ( 0.0155039 0.0268535 0.6369863), wk = 0.0029762 k( 251) = ( 0.0077519 0.0134268 0.6369863), wk = 0.0029762 k( 252) = ( 0.0000000 0.0000000 0.6369863), wk = 0.0029762 k( 253) = ( 0.5000000 0.2886751 0.6369863), wk = 0.0029762 k( 254) = ( 0.5000000 0.2886751 0.6214501), wk = 0.0029762 k( 255) = ( 0.5000000 0.2886751 0.6059138), wk = 0.0029762 k( 256) = ( 0.5000000 0.2886751 0.5903775), wk = 0.0029762 k( 257) = ( 0.5000000 0.2886751 0.5748413), wk = 0.0029762 k( 258) = ( 0.5000000 0.2886751 0.5593050), wk = 0.0029762 k( 259) = ( 0.5000000 0.2886751 0.5437688), wk = 0.0029762 k( 260) = ( 0.5000000 0.2886751 0.5282325), wk = 0.0029762 k( 261) = ( 0.5000000 0.2886751 0.5126963), wk = 0.0029762 k( 262) = ( 0.5000000 0.2886751 0.4971600), wk = 0.0029762 k( 263) = ( 0.5000000 0.2886751 0.4816238), wk = 0.0029762 k( 264) = ( 0.5000000 0.2886751 0.4660875), wk = 0.0029762 k( 265) = ( 0.5000000 0.2886751 0.4505513), wk = 0.0029762 k( 266) = ( 0.5000000 0.2886751 0.4350150), wk = 0.0029762 k( 267) = ( 0.5000000 0.2886751 0.4194788), wk = 0.0029762 k( 268) = ( 0.5000000 0.2886751 0.4039425), wk = 0.0029762 k( 269) = ( 0.5000000 0.2886751 0.3884063), wk = 0.0029762 k( 270) = ( 0.5000000 0.2886751 0.3728700), wk = 0.0029762 k( 271) = ( 0.5000000 0.2886751 0.3573338), wk = 0.0029762 k( 272) = ( 0.5000000 0.2886751 0.3417975), wk = 0.0029762 k( 273) = ( 0.5000000 0.2886751 0.3262613), wk = 0.0029762 k( 274) = ( 0.5000000 0.2886751 0.3107250), wk = 0.0029762 k( 275) = ( 0.5000000 0.2886751 0.2951888), wk = 0.0029762 k( 276) = ( 0.5000000 0.2886751 0.2796525), wk = 0.0029762 k( 277) = ( 0.5000000 0.2886751 0.2641163), wk = 0.0029762 k( 278) = ( 0.5000000 0.2886751 0.2485800), wk = 0.0029762 k( 279) = ( 0.5000000 0.2886751 0.2330438), wk = 0.0029762 k( 280) = ( 0.5000000 0.2886751 0.2175075), wk = 0.0029762 k( 281) = ( 0.5000000 0.2886751 0.2019713), wk = 0.0029762 k( 282) = ( 0.5000000 0.2886751 0.1864350), wk = 0.0029762 k( 283) = ( 0.5000000 0.2886751 0.1708988), wk = 0.0029762 k( 284) = ( 0.5000000 0.2886751 0.1553625), wk = 0.0029762 k( 285) = ( 0.5000000 0.2886751 0.1398263), wk = 0.0029762 k( 286) = ( 0.5000000 0.2886751 0.1242900), wk = 0.0029762 k( 287) = ( 0.5000000 0.2886751 0.1087538), wk = 0.0029762 k( 288) = ( 0.5000000 0.2886751 0.0932175), wk = 0.0029762 k( 289) = ( 0.5000000 0.2886751 0.0776813), wk = 0.0029762 k( 290) = ( 0.5000000 0.2886751 0.0621450), wk = 0.0029762 k( 291) = ( 0.5000000 0.2886751 0.0466088), wk = 0.0029762 k( 292) = ( 0.5000000 0.2886751 0.0310725), wk = 0.0029762 k( 293) = ( 0.5000000 0.2886751 0.0155362), wk = 0.0029762 k( 294) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0029762 k( 295) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0029762 k( 296) = ( 0.3333333 0.5773503 0.0155362), wk = 0.0029762 k( 297) = ( 0.3333333 0.5773503 0.0310725), wk = 0.0029762 k( 298) = ( 0.3333333 0.5773503 0.0466088), wk = 0.0029762 k( 299) = ( 0.3333333 0.5773503 0.0621450), wk = 0.0029762 k( 300) = ( 0.3333333 0.5773503 0.0776813), wk = 0.0029762 k( 301) = ( 0.3333333 0.5773503 0.0932175), wk = 0.0029762 k( 302) = ( 0.3333333 0.5773503 0.1087538), wk = 0.0029762 k( 303) = ( 0.3333333 0.5773503 0.1242900), wk = 0.0029762 k( 304) = ( 0.3333333 0.5773503 0.1398263), wk = 0.0029762 k( 305) = ( 0.3333333 0.5773503 0.1553625), wk = 0.0029762 k( 306) = ( 0.3333333 0.5773503 0.1708988), wk = 0.0029762 k( 307) = ( 0.3333333 0.5773503 0.1864350), wk = 0.0029762 k( 308) = ( 0.3333333 0.5773503 0.2019713), wk = 0.0029762 k( 309) = ( 0.3333333 0.5773503 0.2175075), wk = 0.0029762 k( 310) = ( 0.3333333 0.5773503 0.2330438), wk = 0.0029762 k( 311) = ( 0.3333333 0.5773503 0.2485800), wk = 0.0029762 k( 312) = ( 0.3333333 0.5773503 0.2641163), wk = 0.0029762 k( 313) = ( 0.3333333 0.5773503 0.2796525), wk = 0.0029762 k( 314) = ( 0.3333333 0.5773503 0.2951888), wk = 0.0029762 k( 315) = ( 0.3333333 0.5773503 0.3107250), wk = 0.0029762 k( 316) = ( 0.3333333 0.5773503 0.3262613), wk = 0.0029762 k( 317) = ( 0.3333333 0.5773503 0.3417975), wk = 0.0029762 k( 318) = ( 0.3333333 0.5773503 0.3573338), wk = 0.0029762 k( 319) = ( 0.3333333 0.5773503 0.3728700), wk = 0.0029762 k( 320) = ( 0.3333333 0.5773503 0.3884063), wk = 0.0029762 k( 321) = ( 0.3333333 0.5773503 0.4039425), wk = 0.0029762 k( 322) = ( 0.3333333 0.5773503 0.4194788), wk = 0.0029762 k( 323) = ( 0.3333333 0.5773503 0.4350150), wk = 0.0029762 k( 324) = ( 0.3333333 0.5773503 0.4505513), wk = 0.0029762 k( 325) = ( 0.3333333 0.5773503 0.4660875), wk = 0.0029762 k( 326) = ( 0.3333333 0.5773503 0.4816238), wk = 0.0029762 k( 327) = ( 0.3333333 0.5773503 0.4971600), wk = 0.0029762 k( 328) = ( 0.3333333 0.5773503 0.5126963), wk = 0.0029762 k( 329) = ( 0.3333333 0.5773503 0.5282325), wk = 0.0029762 k( 330) = ( 0.3333333 0.5773503 0.5437688), wk = 0.0029762 k( 331) = ( 0.3333333 0.5773503 0.5593050), wk = 0.0029762 k( 332) = ( 0.3333333 0.5773503 0.5748413), wk = 0.0029762 k( 333) = ( 0.3333333 0.5773503 0.5903775), wk = 0.0029762 k( 334) = ( 0.3333333 0.5773503 0.6059138), wk = 0.0029762 k( 335) = ( 0.3333333 0.5773503 0.6214501), wk = 0.0029762 k( 336) = ( 0.3333333 0.5773503 0.6369863), wk = 0.0029762 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029762 k( 2) = ( 0.0135135 0.0000000 -0.0000000), wk = 0.0029762 k( 3) = ( 0.0270270 0.0000000 -0.0000000), wk = 0.0029762 k( 4) = ( 0.0405405 0.0000000 0.0000000), wk = 0.0029762 k( 5) = ( 0.0540540 0.0000000 -0.0000000), wk = 0.0029762 k( 6) = ( 0.0675676 -0.0000000 -0.0000000), wk = 0.0029762 k( 7) = ( 0.0810811 0.0000000 0.0000000), wk = 0.0029762 k( 8) = ( 0.0945946 -0.0000000 -0.0000000), wk = 0.0029762 k( 9) = ( 0.1081081 0.0000000 -0.0000000), wk = 0.0029762 k( 10) = ( 0.1216216 0.0000000 -0.0000000), wk = 0.0029762 k( 11) = ( 0.1351351 -0.0000000 -0.0000000), wk = 0.0029762 k( 12) = ( 0.1486486 -0.0000000 -0.0000000), wk = 0.0029762 k( 13) = ( 0.1621622 0.0000000 0.0000000), wk = 0.0029762 k( 14) = ( 0.1756757 0.0000000 -0.0000000), wk = 0.0029762 k( 15) = ( 0.1891892 -0.0000000 0.0000000), wk = 0.0029762 k( 16) = ( 0.2027027 0.0000000 -0.0000000), wk = 0.0029762 k( 17) = ( 0.2162162 0.0000000 -0.0000000), wk = 0.0029762 k( 18) = ( 0.2297297 0.0000000 0.0000000), wk = 0.0029762 k( 19) = ( 0.2432432 0.0000000 -0.0000000), wk = 0.0029762 k( 20) = ( 0.2567568 -0.0000000 0.0000000), wk = 0.0029762 k( 21) = ( 0.2702703 0.0000000 0.0000000), wk = 0.0029762 k( 22) = ( 0.2837838 -0.0000000 -0.0000000), wk = 0.0029762 k( 23) = ( 0.2972973 -0.0000000 -0.0000000), wk = 0.0029762 k( 24) = ( 0.3108108 0.0000000 -0.0000000), wk = 0.0029762 k( 25) = ( 0.3243243 0.0000000 0.0000000), wk = 0.0029762 k( 26) = ( 0.3378378 0.0000000 -0.0000000), wk = 0.0029762 k( 27) = ( 0.3513514 0.0000000 0.0000000), wk = 0.0029762 k( 28) = ( 0.3648649 0.0000000 -0.0000000), wk = 0.0029762 k( 29) = ( 0.3783784 -0.0000000 0.0000000), wk = 0.0029762 k( 30) = ( 0.3918919 0.0000000 -0.0000000), wk = 0.0029762 k( 31) = ( 0.4054054 0.0000000 -0.0000000), wk = 0.0029762 k( 32) = ( 0.4189189 0.0000000 0.0000000), wk = 0.0029762 k( 33) = ( 0.4324324 0.0000000 -0.0000000), wk = 0.0029762 k( 34) = ( 0.4459459 0.0000000 -0.0000000), wk = 0.0029762 k( 35) = ( 0.4594595 0.0000000 0.0000000), wk = 0.0029762 k( 36) = ( 0.4729730 0.0000000 -0.0000000), wk = 0.0029762 k( 37) = ( 0.4864865 0.0000000 -0.0000000), wk = 0.0029762 k( 38) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0029762 k( 39) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0029762 k( 40) = ( 0.4924242 0.0151515 0.0000000), wk = 0.0029762 k( 41) = ( 0.4848485 0.0303030 -0.0000000), wk = 0.0029762 k( 42) = ( 0.4772727 0.0454546 -0.0000000), wk = 0.0029762 k( 43) = ( 0.4696970 0.0606061 0.0000000), wk = 0.0029762 k( 44) = ( 0.4621212 0.0757576 -0.0000000), wk = 0.0029762 k( 45) = ( 0.4545455 0.0909091 0.0000000), wk = 0.0029762 k( 46) = ( 0.4469697 0.1060606 -0.0000000), wk = 0.0029762 k( 47) = ( 0.4393939 0.1212121 -0.0000000), wk = 0.0029762 k( 48) = ( 0.4318182 0.1363636 -0.0000000), wk = 0.0029762 k( 49) = ( 0.4242424 0.1515152 -0.0000000), wk = 0.0029762 k( 50) = ( 0.4166667 0.1666667 -0.0000000), wk = 0.0029762 k( 51) = ( 0.4090909 0.1818182 0.0000000), wk = 0.0029762 k( 52) = ( 0.4015151 0.1969697 -0.0000000), wk = 0.0029762 k( 53) = ( 0.3939394 0.2121212 0.0000000), wk = 0.0029762 k( 54) = ( 0.3863636 0.2272727 -0.0000000), wk = 0.0029762 k( 55) = ( 0.3787879 0.2424242 -0.0000000), wk = 0.0029762 k( 56) = ( 0.3712121 0.2575758 -0.0000000), wk = 0.0029762 k( 57) = ( 0.3636364 0.2727273 -0.0000000), wk = 0.0029762 k( 58) = ( 0.3560606 0.2878788 -0.0000000), wk = 0.0029762 k( 59) = ( 0.3484849 0.3030303 0.0000000), wk = 0.0029762 k( 60) = ( 0.3409091 0.3181818 -0.0000000), wk = 0.0029762 k( 61) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0029762 k( 62) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0029762 k( 63) = ( 0.3255814 0.3255814 -0.0000000), wk = 0.0029762 k( 64) = ( 0.3178295 0.3178295 -0.0000000), wk = 0.0029762 k( 65) = ( 0.3100775 0.3100775 -0.0000000), wk = 0.0029762 k( 66) = ( 0.3023256 0.3023256 -0.0000000), wk = 0.0029762 k( 67) = ( 0.2945736 0.2945736 -0.0000000), wk = 0.0029762 k( 68) = ( 0.2868217 0.2868217 -0.0000000), wk = 0.0029762 k( 69) = ( 0.2790698 0.2790698 -0.0000000), wk = 0.0029762 k( 70) = ( 0.2713178 0.2713178 0.0000000), wk = 0.0029762 k( 71) = ( 0.2635659 0.2635659 -0.0000000), wk = 0.0029762 k( 72) = ( 0.2558140 0.2558139 0.0000000), wk = 0.0029762 k( 73) = ( 0.2480620 0.2480620 0.0000000), wk = 0.0029762 k( 74) = ( 0.2403101 0.2403101 -0.0000000), wk = 0.0029762 k( 75) = ( 0.2325581 0.2325581 0.0000000), wk = 0.0029762 k( 76) = ( 0.2248062 0.2248062 0.0000000), wk = 0.0029762 k( 77) = ( 0.2170543 0.2170543 -0.0000000), wk = 0.0029762 k( 78) = ( 0.2093023 0.2093023 -0.0000000), wk = 0.0029762 k( 79) = ( 0.2015504 0.2015504 -0.0000000), wk = 0.0029762 k( 80) = ( 0.1937985 0.1937984 -0.0000000), wk = 0.0029762 k( 81) = ( 0.1860465 0.1860465 -0.0000000), wk = 0.0029762 k( 82) = ( 0.1782946 0.1782946 -0.0000000), wk = 0.0029762 k( 83) = ( 0.1705426 0.1705426 -0.0000000), wk = 0.0029762 k( 84) = ( 0.1627907 0.1627907 -0.0000000), wk = 0.0029762 k( 85) = ( 0.1550388 0.1550388 -0.0000000), wk = 0.0029762 k( 86) = ( 0.1472868 0.1472868 -0.0000000), wk = 0.0029762 k( 87) = ( 0.1395349 0.1395349 -0.0000000), wk = 0.0029762 k( 88) = ( 0.1317830 0.1317830 -0.0000000), wk = 0.0029762 k( 89) = ( 0.1240310 0.1240310 0.0000000), wk = 0.0029762 k( 90) = ( 0.1162791 0.1162791 0.0000000), wk = 0.0029762 k( 91) = ( 0.1085271 0.1085271 -0.0000000), wk = 0.0029762 k( 92) = ( 0.1007752 0.1007752 0.0000000), wk = 0.0029762 k( 93) = ( 0.0930233 0.0930233 -0.0000000), wk = 0.0029762 k( 94) = ( 0.0852713 0.0852713 -0.0000000), wk = 0.0029762 k( 95) = ( 0.0775194 0.0775194 -0.0000000), wk = 0.0029762 k( 96) = ( 0.0697674 0.0697674 -0.0000000), wk = 0.0029762 k( 97) = ( 0.0620155 0.0620155 -0.0000000), wk = 0.0029762 k( 98) = ( 0.0542636 0.0542636 0.0000000), wk = 0.0029762 k( 99) = ( 0.0465116 0.0465116 -0.0000000), wk = 0.0029762 k( 100) = ( 0.0387597 0.0387597 -0.0000000), wk = 0.0029762 k( 101) = ( 0.0310078 0.0310078 -0.0000000), wk = 0.0029762 k( 102) = ( 0.0232558 0.0232558 0.0000000), wk = 0.0029762 k( 103) = ( 0.0155039 0.0155039 0.0000000), wk = 0.0029762 k( 104) = ( 0.0077519 0.0077519 0.0000000), wk = 0.0029762 k( 105) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029762 k( 106) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029762 k( 107) = ( 0.0000000 0.0000000 0.0121951), wk = 0.0029762 k( 108) = ( 0.0000000 0.0000000 0.0243902), wk = 0.0029762 k( 109) = ( 0.0000000 0.0000000 0.0365854), wk = 0.0029762 k( 110) = ( 0.0000000 0.0000000 0.0487805), wk = 0.0029762 k( 111) = ( 0.0000000 0.0000000 0.0609756), wk = 0.0029762 k( 112) = ( 0.0000000 0.0000000 0.0731707), wk = 0.0029762 k( 113) = ( 0.0000000 0.0000000 0.0853658), wk = 0.0029762 k( 114) = ( 0.0000000 0.0000000 0.0975610), wk = 0.0029762 k( 115) = ( 0.0000000 0.0000000 0.1097561), wk = 0.0029762 k( 116) = ( 0.0000000 0.0000000 0.1219512), wk = 0.0029762 k( 117) = ( 0.0000000 0.0000000 0.1341463), wk = 0.0029762 k( 118) = ( 0.0000000 0.0000000 0.1463415), wk = 0.0029762 k( 119) = ( 0.0000000 0.0000000 0.1585366), wk = 0.0029762 k( 120) = ( 0.0000000 0.0000000 0.1707317), wk = 0.0029762 k( 121) = ( 0.0000000 0.0000000 0.1829268), wk = 0.0029762 k( 122) = ( 0.0000000 0.0000000 0.1951220), wk = 0.0029762 k( 123) = ( 0.0000000 0.0000000 0.2073171), wk = 0.0029762 k( 124) = ( 0.0000000 0.0000000 0.2195122), wk = 0.0029762 k( 125) = ( 0.0000000 0.0000000 0.2317073), wk = 0.0029762 k( 126) = ( 0.0000000 0.0000000 0.2439024), wk = 0.0029762 k( 127) = ( 0.0000000 0.0000000 0.2560976), wk = 0.0029762 k( 128) = ( 0.0000000 0.0000000 0.2682927), wk = 0.0029762 k( 129) = ( 0.0000000 0.0000000 0.2804878), wk = 0.0029762 k( 130) = ( 0.0000000 0.0000000 0.2926829), wk = 0.0029762 k( 131) = ( 0.0000000 0.0000000 0.3048781), wk = 0.0029762 k( 132) = ( 0.0000000 0.0000000 0.3170732), wk = 0.0029762 k( 133) = ( 0.0000000 0.0000000 0.3292683), wk = 0.0029762 k( 134) = ( 0.0000000 0.0000000 0.3414634), wk = 0.0029762 k( 135) = ( 0.0000000 0.0000000 0.3536585), wk = 0.0029762 k( 136) = ( 0.0000000 0.0000000 0.3658537), wk = 0.0029762 k( 137) = ( 0.0000000 0.0000000 0.3780488), wk = 0.0029762 k( 138) = ( 0.0000000 0.0000000 0.3902439), wk = 0.0029762 k( 139) = ( 0.0000000 0.0000000 0.4024390), wk = 0.0029762 k( 140) = ( 0.0000000 0.0000000 0.4146341), wk = 0.0029762 k( 141) = ( 0.0000000 0.0000000 0.4268293), wk = 0.0029762 k( 142) = ( 0.0000000 0.0000000 0.4390244), wk = 0.0029762 k( 143) = ( 0.0000000 0.0000000 0.4512195), wk = 0.0029762 k( 144) = ( 0.0000000 0.0000000 0.4634146), wk = 0.0029762 k( 145) = ( 0.0000000 0.0000000 0.4756098), wk = 0.0029762 k( 146) = ( 0.0000000 0.0000000 0.4878049), wk = 0.0029762 k( 147) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0029762 k( 148) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0029762 k( 149) = ( 0.0135135 0.0000000 0.5000000), wk = 0.0029762 k( 150) = ( 0.0270270 0.0000000 0.5000000), wk = 0.0029762 k( 151) = ( 0.0405405 0.0000000 0.5000000), wk = 0.0029762 k( 152) = ( 0.0540540 0.0000000 0.5000000), wk = 0.0029762 k( 153) = ( 0.0675676 -0.0000000 0.5000000), wk = 0.0029762 k( 154) = ( 0.0810811 0.0000000 0.5000000), wk = 0.0029762 k( 155) = ( 0.0945946 -0.0000000 0.5000000), wk = 0.0029762 k( 156) = ( 0.1081081 0.0000000 0.5000000), wk = 0.0029762 k( 157) = ( 0.1216216 0.0000000 0.5000000), wk = 0.0029762 k( 158) = ( 0.1351351 -0.0000000 0.5000000), wk = 0.0029762 k( 159) = ( 0.1486486 -0.0000000 0.5000000), wk = 0.0029762 k( 160) = ( 0.1621622 0.0000000 0.5000000), wk = 0.0029762 k( 161) = ( 0.1756757 0.0000000 0.5000000), wk = 0.0029762 k( 162) = ( 0.1891892 -0.0000000 0.5000000), wk = 0.0029762 k( 163) = ( 0.2027027 0.0000000 0.5000000), wk = 0.0029762 k( 164) = ( 0.2162162 0.0000000 0.5000000), wk = 0.0029762 k( 165) = ( 0.2297297 0.0000000 0.5000000), wk = 0.0029762 k( 166) = ( 0.2432432 0.0000000 0.5000000), wk = 0.0029762 k( 167) = ( 0.2567568 -0.0000000 0.5000000), wk = 0.0029762 k( 168) = ( 0.2702703 0.0000000 0.5000000), wk = 0.0029762 k( 169) = ( 0.2837838 -0.0000000 0.5000000), wk = 0.0029762 k( 170) = ( 0.2972973 -0.0000000 0.5000000), wk = 0.0029762 k( 171) = ( 0.3108108 0.0000000 0.5000000), wk = 0.0029762 k( 172) = ( 0.3243243 0.0000000 0.5000000), wk = 0.0029762 k( 173) = ( 0.3378378 0.0000000 0.5000000), wk = 0.0029762 k( 174) = ( 0.3513514 0.0000000 0.5000000), wk = 0.0029762 k( 175) = ( 0.3648649 0.0000000 0.5000000), wk = 0.0029762 k( 176) = ( 0.3783784 -0.0000000 0.5000000), wk = 0.0029762 k( 177) = ( 0.3918919 0.0000000 0.5000000), wk = 0.0029762 k( 178) = ( 0.4054054 0.0000000 0.5000000), wk = 0.0029762 k( 179) = ( 0.4189189 0.0000000 0.5000000), wk = 0.0029762 k( 180) = ( 0.4324324 0.0000000 0.5000000), wk = 0.0029762 k( 181) = ( 0.4459459 0.0000000 0.5000000), wk = 0.0029762 k( 182) = ( 0.4594595 0.0000000 0.5000000), wk = 0.0029762 k( 183) = ( 0.4729730 0.0000000 0.5000000), wk = 0.0029762 k( 184) = ( 0.4864865 0.0000000 0.5000000), wk = 0.0029762 k( 185) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0029762 k( 186) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0029762 k( 187) = ( 0.4924242 0.0151515 0.5000000), wk = 0.0029762 k( 188) = ( 0.4848485 0.0303030 0.5000000), wk = 0.0029762 k( 189) = ( 0.4772727 0.0454546 0.5000000), wk = 0.0029762 k( 190) = ( 0.4696970 0.0606061 0.5000000), wk = 0.0029762 k( 191) = ( 0.4621212 0.0757576 0.5000000), wk = 0.0029762 k( 192) = ( 0.4545455 0.0909091 0.5000000), wk = 0.0029762 k( 193) = ( 0.4469697 0.1060606 0.5000000), wk = 0.0029762 k( 194) = ( 0.4393939 0.1212121 0.5000000), wk = 0.0029762 k( 195) = ( 0.4318182 0.1363636 0.5000000), wk = 0.0029762 k( 196) = ( 0.4242424 0.1515152 0.5000000), wk = 0.0029762 k( 197) = ( 0.4166667 0.1666667 0.5000000), wk = 0.0029762 k( 198) = ( 0.4090909 0.1818182 0.5000000), wk = 0.0029762 k( 199) = ( 0.4015151 0.1969697 0.5000000), wk = 0.0029762 k( 200) = ( 0.3939394 0.2121212 0.5000000), wk = 0.0029762 k( 201) = ( 0.3863636 0.2272727 0.5000000), wk = 0.0029762 k( 202) = ( 0.3787879 0.2424242 0.5000000), wk = 0.0029762 k( 203) = ( 0.3712121 0.2575758 0.5000000), wk = 0.0029762 k( 204) = ( 0.3636364 0.2727273 0.5000000), wk = 0.0029762 k( 205) = ( 0.3560606 0.2878788 0.5000000), wk = 0.0029762 k( 206) = ( 0.3484849 0.3030303 0.5000000), wk = 0.0029762 k( 207) = ( 0.3409091 0.3181818 0.5000000), wk = 0.0029762 k( 208) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0029762 k( 209) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0029762 k( 210) = ( 0.3255814 0.3255814 0.5000000), wk = 0.0029762 k( 211) = ( 0.3178295 0.3178295 0.5000000), wk = 0.0029762 k( 212) = ( 0.3100775 0.3100775 0.5000000), wk = 0.0029762 k( 213) = ( 0.3023256 0.3023256 0.5000000), wk = 0.0029762 k( 214) = ( 0.2945736 0.2945736 0.5000000), wk = 0.0029762 k( 215) = ( 0.2868217 0.2868217 0.5000000), wk = 0.0029762 k( 216) = ( 0.2790698 0.2790698 0.5000000), wk = 0.0029762 k( 217) = ( 0.2713178 0.2713178 0.5000000), wk = 0.0029762 k( 218) = ( 0.2635659 0.2635659 0.5000000), wk = 0.0029762 k( 219) = ( 0.2558140 0.2558139 0.5000000), wk = 0.0029762 k( 220) = ( 0.2480620 0.2480620 0.5000000), wk = 0.0029762 k( 221) = ( 0.2403101 0.2403101 0.5000000), wk = 0.0029762 k( 222) = ( 0.2325581 0.2325581 0.5000000), wk = 0.0029762 k( 223) = ( 0.2248062 0.2248062 0.5000000), wk = 0.0029762 k( 224) = ( 0.2170543 0.2170543 0.5000000), wk = 0.0029762 k( 225) = ( 0.2093023 0.2093023 0.5000000), wk = 0.0029762 k( 226) = ( 0.2015504 0.2015504 0.5000000), wk = 0.0029762 k( 227) = ( 0.1937985 0.1937984 0.5000000), wk = 0.0029762 k( 228) = ( 0.1860465 0.1860465 0.5000000), wk = 0.0029762 k( 229) = ( 0.1782946 0.1782946 0.5000000), wk = 0.0029762 k( 230) = ( 0.1705426 0.1705426 0.5000000), wk = 0.0029762 k( 231) = ( 0.1627907 0.1627907 0.5000000), wk = 0.0029762 k( 232) = ( 0.1550388 0.1550388 0.5000000), wk = 0.0029762 k( 233) = ( 0.1472868 0.1472868 0.5000000), wk = 0.0029762 k( 234) = ( 0.1395349 0.1395349 0.5000000), wk = 0.0029762 k( 235) = ( 0.1317830 0.1317830 0.5000000), wk = 0.0029762 k( 236) = ( 0.1240310 0.1240310 0.5000000), wk = 0.0029762 k( 237) = ( 0.1162791 0.1162791 0.5000000), wk = 0.0029762 k( 238) = ( 0.1085271 0.1085271 0.5000000), wk = 0.0029762 k( 239) = ( 0.1007752 0.1007752 0.5000000), wk = 0.0029762 k( 240) = ( 0.0930233 0.0930233 0.5000000), wk = 0.0029762 k( 241) = ( 0.0852713 0.0852713 0.5000000), wk = 0.0029762 k( 242) = ( 0.0775194 0.0775194 0.5000000), wk = 0.0029762 k( 243) = ( 0.0697674 0.0697674 0.5000000), wk = 0.0029762 k( 244) = ( 0.0620155 0.0620155 0.5000000), wk = 0.0029762 k( 245) = ( 0.0542636 0.0542636 0.5000000), wk = 0.0029762 k( 246) = ( 0.0465116 0.0465116 0.5000000), wk = 0.0029762 k( 247) = ( 0.0387597 0.0387597 0.5000000), wk = 0.0029762 k( 248) = ( 0.0310078 0.0310078 0.5000000), wk = 0.0029762 k( 249) = ( 0.0232558 0.0232558 0.5000000), wk = 0.0029762 k( 250) = ( 0.0155039 0.0155039 0.5000000), wk = 0.0029762 k( 251) = ( 0.0077519 0.0077519 0.5000000), wk = 0.0029762 k( 252) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0029762 k( 253) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0029762 k( 254) = ( 0.5000000 0.0000000 0.4878049), wk = 0.0029762 k( 255) = ( 0.5000000 0.0000000 0.4756098), wk = 0.0029762 k( 256) = ( 0.5000000 0.0000000 0.4634146), wk = 0.0029762 k( 257) = ( 0.5000000 0.0000000 0.4512195), wk = 0.0029762 k( 258) = ( 0.5000000 0.0000000 0.4390244), wk = 0.0029762 k( 259) = ( 0.5000000 0.0000000 0.4268293), wk = 0.0029762 k( 260) = ( 0.5000000 0.0000000 0.4146341), wk = 0.0029762 k( 261) = ( 0.5000000 0.0000000 0.4024390), wk = 0.0029762 k( 262) = ( 0.5000000 0.0000000 0.3902439), wk = 0.0029762 k( 263) = ( 0.5000000 0.0000000 0.3780488), wk = 0.0029762 k( 264) = ( 0.5000000 0.0000000 0.3658537), wk = 0.0029762 k( 265) = ( 0.5000000 0.0000000 0.3536585), wk = 0.0029762 k( 266) = ( 0.5000000 0.0000000 0.3414634), wk = 0.0029762 k( 267) = ( 0.5000000 0.0000000 0.3292683), wk = 0.0029762 k( 268) = ( 0.5000000 0.0000000 0.3170732), wk = 0.0029762 k( 269) = ( 0.5000000 0.0000000 0.3048781), wk = 0.0029762 k( 270) = ( 0.5000000 0.0000000 0.2926829), wk = 0.0029762 k( 271) = ( 0.5000000 0.0000000 0.2804878), wk = 0.0029762 k( 272) = ( 0.5000000 0.0000000 0.2682927), wk = 0.0029762 k( 273) = ( 0.5000000 0.0000000 0.2560976), wk = 0.0029762 k( 274) = ( 0.5000000 0.0000000 0.2439024), wk = 0.0029762 k( 275) = ( 0.5000000 0.0000000 0.2317073), wk = 0.0029762 k( 276) = ( 0.5000000 0.0000000 0.2195122), wk = 0.0029762 k( 277) = ( 0.5000000 0.0000000 0.2073171), wk = 0.0029762 k( 278) = ( 0.5000000 0.0000000 0.1951219), wk = 0.0029762 k( 279) = ( 0.5000000 0.0000000 0.1829268), wk = 0.0029762 k( 280) = ( 0.5000000 0.0000000 0.1707317), wk = 0.0029762 k( 281) = ( 0.5000000 0.0000000 0.1585366), wk = 0.0029762 k( 282) = ( 0.5000000 0.0000000 0.1463415), wk = 0.0029762 k( 283) = ( 0.5000000 0.0000000 0.1341463), wk = 0.0029762 k( 284) = ( 0.5000000 0.0000000 0.1219512), wk = 0.0029762 k( 285) = ( 0.5000000 0.0000000 0.1097561), wk = 0.0029762 k( 286) = ( 0.5000000 0.0000000 0.0975610), wk = 0.0029762 k( 287) = ( 0.5000000 0.0000000 0.0853658), wk = 0.0029762 k( 288) = ( 0.5000000 0.0000000 0.0731707), wk = 0.0029762 k( 289) = ( 0.5000000 0.0000000 0.0609756), wk = 0.0029762 k( 290) = ( 0.5000000 0.0000000 0.0487805), wk = 0.0029762 k( 291) = ( 0.5000000 0.0000000 0.0365854), wk = 0.0029762 k( 292) = ( 0.5000000 0.0000000 0.0243902), wk = 0.0029762 k( 293) = ( 0.5000000 0.0000000 0.0121951), wk = 0.0029762 k( 294) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0029762 k( 295) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0029762 k( 296) = ( 0.3333333 0.3333333 0.0121951), wk = 0.0029762 k( 297) = ( 0.3333333 0.3333333 0.0243902), wk = 0.0029762 k( 298) = ( 0.3333333 0.3333333 0.0365854), wk = 0.0029762 k( 299) = ( 0.3333333 0.3333333 0.0487805), wk = 0.0029762 k( 300) = ( 0.3333333 0.3333333 0.0609756), wk = 0.0029762 k( 301) = ( 0.3333333 0.3333333 0.0731707), wk = 0.0029762 k( 302) = ( 0.3333333 0.3333333 0.0853659), wk = 0.0029762 k( 303) = ( 0.3333333 0.3333333 0.0975610), wk = 0.0029762 k( 304) = ( 0.3333333 0.3333333 0.1097561), wk = 0.0029762 k( 305) = ( 0.3333333 0.3333333 0.1219512), wk = 0.0029762 k( 306) = ( 0.3333333 0.3333333 0.1341463), wk = 0.0029762 k( 307) = ( 0.3333333 0.3333333 0.1463415), wk = 0.0029762 k( 308) = ( 0.3333333 0.3333333 0.1585366), wk = 0.0029762 k( 309) = ( 0.3333333 0.3333333 0.1707317), wk = 0.0029762 k( 310) = ( 0.3333333 0.3333333 0.1829268), wk = 0.0029762 k( 311) = ( 0.3333333 0.3333333 0.1951220), wk = 0.0029762 k( 312) = ( 0.3333333 0.3333333 0.2073171), wk = 0.0029762 k( 313) = ( 0.3333333 0.3333333 0.2195122), wk = 0.0029762 k( 314) = ( 0.3333333 0.3333333 0.2317073), wk = 0.0029762 k( 315) = ( 0.3333333 0.3333333 0.2439024), wk = 0.0029762 k( 316) = ( 0.3333333 0.3333333 0.2560976), wk = 0.0029762 k( 317) = ( 0.3333333 0.3333333 0.2682927), wk = 0.0029762 k( 318) = ( 0.3333333 0.3333333 0.2804878), wk = 0.0029762 k( 319) = ( 0.3333333 0.3333333 0.2926829), wk = 0.0029762 k( 320) = ( 0.3333333 0.3333333 0.3048781), wk = 0.0029762 k( 321) = ( 0.3333333 0.3333333 0.3170732), wk = 0.0029762 k( 322) = ( 0.3333333 0.3333333 0.3292683), wk = 0.0029762 k( 323) = ( 0.3333333 0.3333333 0.3414634), wk = 0.0029762 k( 324) = ( 0.3333333 0.3333333 0.3536585), wk = 0.0029762 k( 325) = ( 0.3333333 0.3333333 0.3658537), wk = 0.0029762 k( 326) = ( 0.3333333 0.3333333 0.3780488), wk = 0.0029762 k( 327) = ( 0.3333333 0.3333333 0.3902439), wk = 0.0029762 k( 328) = ( 0.3333333 0.3333333 0.4024390), wk = 0.0029762 k( 329) = ( 0.3333333 0.3333333 0.4146342), wk = 0.0029762 k( 330) = ( 0.3333333 0.3333333 0.4268293), wk = 0.0029762 k( 331) = ( 0.3333333 0.3333333 0.4390244), wk = 0.0029762 k( 332) = ( 0.3333333 0.3333333 0.4512195), wk = 0.0029762 k( 333) = ( 0.3333333 0.3333333 0.4634146), wk = 0.0029762 k( 334) = ( 0.3333333 0.3333333 0.4756098), wk = 0.0029762 k( 335) = ( 0.3333333 0.3333333 0.4878049), wk = 0.0029762 k( 336) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0029762 Dense grid: 78713 G-vectors FFT dimensions: ( 64, 64, 48) Smooth grid: 20929 G-vectors FFT dimensions: ( 40, 40, 32) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.10 Mb ( 150, 42) NL pseudopotentials 0.12 Mb ( 75, 102) Each V/rho on FFT grid 0.12 Mb ( 8192) Each G-vector array 0.02 Mb ( 2187) G-vector shells 0.01 Mb ( 1044) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.38 Mb ( 150, 168) Each subspace H/S matrix 0.03 Mb ( 42, 42) Each matrix 0.13 Mb ( 102, 2, 42) The potential is recalculated from file : ./SrHg2.save/charge-density.dat Starting wfc are 52 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 3.2 secs Computing kpt #: 2 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 4.1 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 6.7 secs Computing kpt #: 6 total cpu time spent up to now is 7.3 secs Computing kpt #: 7 total cpu time spent up to now is 7.8 secs Computing kpt #: 8 total cpu time spent up to now is 8.3 secs Computing kpt #: 9 total cpu time spent up to now is 8.8 secs Computing kpt #: 10 total cpu time spent up to now is 9.3 secs Computing kpt #: 11 total cpu time spent up to now is 9.7 secs Computing kpt #: 12 total cpu time spent up to now is 11.2 secs Computing kpt #: 13 total cpu time spent up to now is 11.6 secs Computing kpt #: 14 total cpu time spent up to now is 12.1 secs Computing kpt #: 15 total cpu time spent up to now is 12.5 secs Computing kpt #: 16 total cpu time spent up to now is 13.0 secs Computing kpt #: 17 total cpu time spent up to now is 13.4 secs Computing kpt #: 18 total cpu time spent up to now is 13.9 secs Computing kpt #: 19 total cpu time spent up to now is 14.3 secs Computing kpt #: 20 total cpu time spent up to now is 14.8 secs Computing kpt #: 21 total cpu time spent up to now is 15.2 secs Computing kpt #: 22 total cpu time spent up to now is 15.5 secs Computing kpt #: 23 total cpu time spent up to now is 15.9 secs Computing kpt #: 24 total cpu time spent up to now is 16.3 secs Computing kpt #: 25 total cpu time spent up to now is 16.6 secs Computing kpt #: 26 total cpu time spent up to now is 17.0 secs Computing kpt #: 27 total cpu time spent up to now is 17.4 secs Computing kpt #: 28 total cpu time spent up to now is 17.8 secs Computing kpt #: 29 total cpu time spent up to now is 18.2 secs Computing kpt #: 30 total cpu time spent up to now is 18.5 secs Computing kpt #: 31 total cpu time spent up to now is 18.9 secs Computing kpt #: 32 total cpu time spent up to now is 19.3 secs Computing kpt #: 33 total cpu time spent up to now is 19.7 secs Computing kpt #: 34 total cpu time spent up to now is 20.1 secs Computing kpt #: 35 total cpu time spent up to now is 20.5 secs Computing kpt #: 36 total cpu time spent up to now is 20.9 secs Computing kpt #: 37 total cpu time spent up to now is 21.3 secs Computing kpt #: 38 total cpu time spent up to now is 21.7 secs Computing kpt #: 39 total cpu time spent up to now is 22.1 secs Computing kpt #: 40 total cpu time spent up to now is 22.4 secs Computing kpt #: 41 total cpu time spent up to now is 22.8 secs Computing kpt #: 42 total cpu time spent up to now is 23.2 secs Computing kpt #: 43 total cpu time spent up to now is 23.6 secs Computing kpt #: 44 total cpu time spent up to now is 24.0 secs Computing kpt #: 45 total cpu time spent up to now is 24.3 secs Computing kpt #: 46 total cpu time spent up to now is 24.7 secs Computing kpt #: 47 total cpu time spent up to now is 25.2 secs Computing kpt #: 48 total cpu time spent up to now is 25.5 secs Computing kpt #: 49 total cpu time spent up to now is 25.9 secs Computing kpt #: 50 total cpu time spent up to now is 26.3 secs Computing kpt #: 51 total cpu time spent up to now is 26.8 secs Computing kpt #: 52 total cpu time spent up to now is 27.2 secs Computing kpt #: 53 total cpu time spent up to now is 27.6 secs Computing kpt #: 54 total cpu time spent up to now is 28.0 secs Computing kpt #: 55 total cpu time spent up to now is 28.5 secs Computing kpt #: 56 total cpu time spent up to now is 28.9 secs Computing kpt #: 57 total cpu time spent up to now is 29.4 secs Computing kpt #: 58 total cpu time spent up to now is 29.8 secs Computing kpt #: 59 total cpu time spent up to now is 30.3 secs Computing kpt #: 60 total cpu time spent up to now is 30.8 secs Computing kpt #: 61 total cpu time spent up to now is 31.2 secs Computing kpt #: 62 total cpu time spent up to now is 31.7 secs Computing kpt #: 63 total cpu time spent up to now is 32.1 secs Computing kpt #: 64 total cpu time spent up to now is 32.6 secs Computing kpt #: 65 total cpu time spent up to now is 33.0 secs Computing kpt #: 66 total cpu time spent up to now is 33.5 secs Computing kpt #: 67 total cpu time spent up to now is 33.9 secs Computing kpt #: 68 total cpu time spent up to now is 34.4 secs Computing kpt #: 69 total cpu time spent up to now is 34.8 secs Computing kpt #: 70 total cpu time spent up to now is 35.3 secs Computing kpt #: 71 total cpu time spent up to now is 35.9 secs Computing kpt #: 72 total cpu time spent up to now is 36.3 secs Computing kpt #: 73 total cpu time spent up to now is 36.8 secs Computing kpt #: 74 total cpu time spent up to now is 37.2 secs Computing kpt #: 75 total cpu time spent up to now is 37.7 secs Computing kpt #: 76 total cpu time spent up to now is 38.1 secs Computing kpt #: 77 total cpu time spent up to now is 38.5 secs Computing kpt #: 78 total cpu time spent up to now is 38.8 secs Computing kpt #: 79 total cpu time spent up to now is 39.2 secs Computing kpt #: 80 total cpu time spent up to now is 39.6 secs Computing kpt #: 81 total cpu time spent up to now is 40.0 secs Computing kpt #: 82 total cpu time spent up to now is 40.4 secs Computing kpt #: 83 total cpu time spent up to now is 40.7 secs Computing kpt #: 84 total cpu time spent up to now is 41.1 secs Computing kpt #: 85 total cpu time spent up to now is 41.4 secs Computing kpt #: 86 total cpu time spent up to now is 41.8 secs Computing kpt #: 87 total cpu time spent up to now is 42.1 secs Computing kpt #: 88 total cpu time spent up to now is 42.5 secs Computing kpt #: 89 total cpu time spent up to now is 42.9 secs Computing kpt #: 90 total cpu time spent up to now is 43.3 secs Computing kpt #: 91 total cpu time spent up to now is 43.8 secs Computing kpt #: 92 total cpu time spent up to now is 44.2 secs Computing kpt #: 93 total cpu time spent up to now is 44.6 secs Computing kpt #: 94 total cpu time spent up to now is 45.1 secs Computing kpt #: 95 total cpu time spent up to now is 45.5 secs Computing kpt #: 96 total cpu time spent up to now is 46.0 secs Computing kpt #: 97 total cpu time spent up to now is 46.4 secs Computing kpt #: 98 total cpu time spent up to now is 46.9 secs Computing kpt #: 99 total cpu time spent up to now is 47.4 secs Computing kpt #: 100 total cpu time spent up to now is 47.9 secs Computing kpt #: 101 total cpu time spent up to now is 48.8 secs Computing kpt #: 102 total cpu time spent up to now is 49.7 secs Computing kpt #: 103 total cpu time spent up to now is 50.5 secs Computing kpt #: 104 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 51.5 secs Computing kpt #: 105 total cpu time spent up to now is 52.3 secs Computing kpt #: 106 total cpu time spent up to now is 53.2 secs Computing kpt #: 107 total cpu time spent up to now is 53.9 secs Computing kpt #: 108 total cpu time spent up to now is 54.7 secs Computing kpt #: 109 total cpu time spent up to now is 55.2 secs Computing kpt #: 110 total cpu time spent up to now is 55.9 secs Computing kpt #: 111 total cpu time spent up to now is 56.5 secs Computing kpt #: 112 total cpu time spent up to now is 56.9 secs Computing kpt #: 113 total cpu time spent up to now is 57.2 secs Computing kpt #: 114 total cpu time spent up to now is 57.6 secs Computing kpt #: 115 total cpu time spent up to now is 58.0 secs Computing kpt #: 116 total cpu time spent up to now is 58.3 secs Computing kpt #: 117 total cpu time spent up to now is 58.7 secs Computing kpt #: 118 total cpu time spent up to now is 59.1 secs Computing kpt #: 119 total cpu time spent up to now is 59.4 secs Computing kpt #: 120 total cpu time spent up to now is 59.8 secs Computing kpt #: 121 total cpu time spent up to now is 60.2 secs Computing kpt #: 122 total cpu time spent up to now is 60.6 secs Computing kpt #: 123 total cpu time spent up to now is 61.0 secs Computing kpt #: 124 total cpu time spent up to now is 61.4 secs Computing kpt #: 125 total cpu time spent up to now is 61.8 secs Computing kpt #: 126 total cpu time spent up to now is 62.2 secs Computing kpt #: 127 total cpu time spent up to now is 62.6 secs Computing kpt #: 128 total cpu time spent up to now is 63.1 secs Computing kpt #: 129 total cpu time spent up to now is 63.4 secs Computing kpt #: 130 total cpu time spent up to now is 63.8 secs Computing kpt #: 131 total cpu time spent up to now is 64.2 secs Computing kpt #: 132 total cpu time spent up to now is 64.5 secs Computing kpt #: 133 total cpu time spent up to now is 64.9 secs Computing kpt #: 134 total cpu time spent up to now is 65.2 secs Computing kpt #: 135 total cpu time spent up to now is 65.6 secs Computing kpt #: 136 total cpu time spent up to now is 65.9 secs Computing kpt #: 137 total cpu time spent up to now is 66.3 secs Computing kpt #: 138 total cpu time spent up to now is 66.7 secs Computing kpt #: 139 total cpu time spent up to now is 67.0 secs Computing kpt #: 140 total cpu time spent up to now is 67.4 secs Computing kpt #: 141 total cpu time spent up to now is 67.8 secs Computing kpt #: 142 total cpu time spent up to now is 68.2 secs Computing kpt #: 143 total cpu time spent up to now is 68.5 secs Computing kpt #: 144 total cpu time spent up to now is 68.9 secs Computing kpt #: 145 total cpu time spent up to now is 69.3 secs Computing kpt #: 146 total cpu time spent up to now is 69.7 secs Computing kpt #: 147 total cpu time spent up to now is 70.1 secs Computing kpt #: 148 total cpu time spent up to now is 70.5 secs Computing kpt #: 149 total cpu time spent up to now is 71.0 secs Computing kpt #: 150 total cpu time spent up to now is 71.5 secs Computing kpt #: 151 total cpu time spent up to now is 72.0 secs Computing kpt #: 152 total cpu time spent up to now is 72.4 secs Computing kpt #: 153 total cpu time spent up to now is 72.9 secs Computing kpt #: 154 total cpu time spent up to now is 73.4 secs Computing kpt #: 155 total cpu time spent up to now is 73.9 secs Computing kpt #: 156 total cpu time spent up to now is 74.4 secs Computing kpt #: 157 total cpu time spent up to now is 74.9 secs Computing kpt #: 158 total cpu time spent up to now is 75.3 secs Computing kpt #: 159 total cpu time spent up to now is 75.7 secs Computing kpt #: 160 total cpu time spent up to now is 76.1 secs Computing kpt #: 161 total cpu time spent up to now is 76.5 secs Computing kpt #: 162 total cpu time spent up to now is 76.9 secs Computing kpt #: 163 total cpu time spent up to now is 77.2 secs Computing kpt #: 164 total cpu time spent up to now is 77.6 secs Computing kpt #: 165 total cpu time spent up to now is 77.9 secs Computing kpt #: 166 total cpu time spent up to now is 78.3 secs Computing kpt #: 167 total cpu time spent up to now is 78.6 secs Computing kpt #: 168 total cpu time spent up to now is 79.0 secs Computing kpt #: 169 total cpu time spent up to now is 79.3 secs Computing kpt #: 170 total cpu time spent up to now is 79.6 secs Computing kpt #: 171 total cpu time spent up to now is 80.0 secs Computing kpt #: 172 total cpu time spent up to now is 80.4 secs Computing kpt #: 173 total cpu time spent up to now is 80.8 secs Computing kpt #: 174 total cpu time spent up to now is 81.2 secs Computing kpt #: 175 total cpu time spent up to now is 81.7 secs Computing kpt #: 176 total cpu time spent up to now is 82.2 secs Computing kpt #: 177 total cpu time spent up to now is 82.7 secs Computing kpt #: 178 total cpu time spent up to now is 83.1 secs Computing kpt #: 179 total cpu time spent up to now is 83.6 secs Computing kpt #: 180 total cpu time spent up to now is 84.2 secs Computing kpt #: 181 total cpu time spent up to now is 84.7 secs Computing kpt #: 182 total cpu time spent up to now is 85.1 secs Computing kpt #: 183 total cpu time spent up to now is 85.6 secs Computing kpt #: 184 total cpu time spent up to now is 86.0 secs Computing kpt #: 185 total cpu time spent up to now is 86.4 secs Computing kpt #: 186 total cpu time spent up to now is 86.8 secs Computing kpt #: 187 total cpu time spent up to now is 87.2 secs Computing kpt #: 188 total cpu time spent up to now is 87.6 secs Computing kpt #: 189 total cpu time spent up to now is 88.0 secs Computing kpt #: 190 total cpu time spent up to now is 88.4 secs Computing kpt #: 191 total cpu time spent up to now is 88.8 secs Computing kpt #: 192 total cpu time spent up to now is 89.2 secs Computing kpt #: 193 total cpu time spent up to now is 89.5 secs Computing kpt #: 194 total cpu time spent up to now is 89.9 secs Computing kpt #: 195 total cpu time spent up to now is 90.3 secs Computing kpt #: 196 total cpu time spent up to now is 90.6 secs Computing kpt #: 197 total cpu time spent up to now is 91.0 secs Computing kpt #: 198 total cpu time spent up to now is 91.4 secs Computing kpt #: 199 total cpu time spent up to now is 91.7 secs Computing kpt #: 200 total cpu time spent up to now is 92.1 secs Computing kpt #: 201 total cpu time spent up to now is 92.4 secs Computing kpt #: 202 total cpu time spent up to now is 92.8 secs Computing kpt #: 203 total cpu time spent up to now is 93.1 secs Computing kpt #: 204 total cpu time spent up to now is 93.5 secs Computing kpt #: 205 total cpu time spent up to now is 93.9 secs Computing kpt #: 206 total cpu time spent up to now is 94.4 secs Computing kpt #: 207 total cpu time spent up to now is 94.8 secs Computing kpt #: 208 total cpu time spent up to now is 95.2 secs Computing kpt #: 209 total cpu time spent up to now is 95.7 secs Computing kpt #: 210 total cpu time spent up to now is 96.2 secs Computing kpt #: 211 total cpu time spent up to now is 96.6 secs Computing kpt #: 212 total cpu time spent up to now is 97.0 secs Computing kpt #: 213 total cpu time spent up to now is 97.4 secs Computing kpt #: 214 total cpu time spent up to now is 97.8 secs Computing kpt #: 215 total cpu time spent up to now is 98.1 secs Computing kpt #: 216 total cpu time spent up to now is 98.5 secs Computing kpt #: 217 total cpu time spent up to now is 98.9 secs Computing kpt #: 218 total cpu time spent up to now is 99.3 secs Computing kpt #: 219 total cpu time spent up to now is 99.6 secs Computing kpt #: 220 total cpu time spent up to now is 100.0 secs Computing kpt #: 221 total cpu time spent up to now is 100.5 secs Computing kpt #: 222 total cpu time spent up to now is 100.9 secs Computing kpt #: 223 total cpu time spent up to now is 101.4 secs Computing kpt #: 224 total cpu time spent up to now is 101.8 secs Computing kpt #: 225 total cpu time spent up to now is 102.2 secs Computing kpt #: 226 total cpu time spent up to now is 102.7 secs Computing kpt #: 227 total cpu time spent up to now is 103.1 secs Computing kpt #: 228 total cpu time spent up to now is 103.5 secs Computing kpt #: 229 total cpu time spent up to now is 103.8 secs Computing kpt #: 230 total cpu time spent up to now is 104.2 secs Computing kpt #: 231 total cpu time spent up to now is 104.6 secs Computing kpt #: 232 total cpu time spent up to now is 104.9 secs Computing kpt #: 233 total cpu time spent up to now is 105.2 secs Computing kpt #: 234 total cpu time spent up to now is 105.6 secs Computing kpt #: 235 total cpu time spent up to now is 105.9 secs Computing kpt #: 236 total cpu time spent up to now is 106.3 secs Computing kpt #: 237 total cpu time spent up to now is 106.7 secs Computing kpt #: 238 total cpu time spent up to now is 107.0 secs Computing kpt #: 239 total cpu time spent up to now is 107.5 secs Computing kpt #: 240 total cpu time spent up to now is 107.9 secs Computing kpt #: 241 total cpu time spent up to now is 108.3 secs Computing kpt #: 242 total cpu time spent up to now is 108.8 secs Computing kpt #: 243 total cpu time spent up to now is 109.3 secs Computing kpt #: 244 total cpu time spent up to now is 109.8 secs Computing kpt #: 245 total cpu time spent up to now is 110.3 secs Computing kpt #: 246 total cpu time spent up to now is 110.8 secs Computing kpt #: 247 total cpu time spent up to now is 111.3 secs Computing kpt #: 248 total cpu time spent up to now is 111.7 secs Computing kpt #: 249 total cpu time spent up to now is 112.2 secs Computing kpt #: 250 total cpu time spent up to now is 112.8 secs Computing kpt #: 251 total cpu time spent up to now is 113.3 secs Computing kpt #: 252 total cpu time spent up to now is 113.7 secs Computing kpt #: 253 total cpu time spent up to now is 114.1 secs Computing kpt #: 254 total cpu time spent up to now is 114.5 secs Computing kpt #: 255 total cpu time spent up to now is 114.9 secs Computing kpt #: 256 total cpu time spent up to now is 115.3 secs Computing kpt #: 257 total cpu time spent up to now is 115.7 secs Computing kpt #: 258 total cpu time spent up to now is 116.2 secs Computing kpt #: 259 total cpu time spent up to now is 116.6 secs Computing kpt #: 260 total cpu time spent up to now is 117.1 secs Computing kpt #: 261 total cpu time spent up to now is 117.6 secs Computing kpt #: 262 total cpu time spent up to now is 118.1 secs Computing kpt #: 263 total cpu time spent up to now is 118.6 secs Computing kpt #: 264 total cpu time spent up to now is 119.2 secs Computing kpt #: 265 total cpu time spent up to now is 119.8 secs Computing kpt #: 266 total cpu time spent up to now is 120.4 secs Computing kpt #: 267 total cpu time spent up to now is 120.8 secs Computing kpt #: 268 total cpu time spent up to now is 121.4 secs Computing kpt #: 269 total cpu time spent up to now is 121.9 secs Computing kpt #: 270 total cpu time spent up to now is 122.3 secs Computing kpt #: 271 total cpu time spent up to now is 122.7 secs Computing kpt #: 272 total cpu time spent up to now is 123.2 secs Computing kpt #: 273 total cpu time spent up to now is 123.6 secs Computing kpt #: 274 total cpu time spent up to now is 124.1 secs Computing kpt #: 275 total cpu time spent up to now is 124.6 secs Computing kpt #: 276 total cpu time spent up to now is 125.1 secs Computing kpt #: 277 total cpu time spent up to now is 125.6 secs Computing kpt #: 278 total cpu time spent up to now is 126.1 secs Computing kpt #: 279 total cpu time spent up to now is 126.6 secs Computing kpt #: 280 total cpu time spent up to now is 127.1 secs Computing kpt #: 281 total cpu time spent up to now is 127.5 secs Computing kpt #: 282 total cpu time spent up to now is 128.0 secs Computing kpt #: 283 total cpu time spent up to now is 128.4 secs Computing kpt #: 284 total cpu time spent up to now is 128.8 secs Computing kpt #: 285 total cpu time spent up to now is 129.1 secs Computing kpt #: 286 total cpu time spent up to now is 129.5 secs Computing kpt #: 287 total cpu time spent up to now is 129.9 secs Computing kpt #: 288 total cpu time spent up to now is 130.3 secs Computing kpt #: 289 total cpu time spent up to now is 130.7 secs Computing kpt #: 290 total cpu time spent up to now is 131.0 secs Computing kpt #: 291 total cpu time spent up to now is 131.4 secs Computing kpt #: 292 total cpu time spent up to now is 131.7 secs Computing kpt #: 293 total cpu time spent up to now is 132.1 secs Computing kpt #: 294 total cpu time spent up to now is 132.4 secs Computing kpt #: 295 total cpu time spent up to now is 132.9 secs Computing kpt #: 296 total cpu time spent up to now is 133.4 secs Computing kpt #: 297 total cpu time spent up to now is 133.9 secs Computing kpt #: 298 total cpu time spent up to now is 134.3 secs Computing kpt #: 299 total cpu time spent up to now is 134.8 secs Computing kpt #: 300 total cpu time spent up to now is 135.2 secs Computing kpt #: 301 total cpu time spent up to now is 135.7 secs Computing kpt #: 302 total cpu time spent up to now is 136.1 secs Computing kpt #: 303 total cpu time spent up to now is 136.6 secs Computing kpt #: 304 total cpu time spent up to now is 137.0 secs Computing kpt #: 305 total cpu time spent up to now is 137.5 secs Computing kpt #: 306 total cpu time spent up to now is 138.0 secs Computing kpt #: 307 total cpu time spent up to now is 138.4 secs Computing kpt #: 308 total cpu time spent up to now is 138.8 secs Computing kpt #: 309 total cpu time spent up to now is 139.3 secs Computing kpt #: 310 total cpu time spent up to now is 139.7 secs Computing kpt #: 311 total cpu time spent up to now is 140.2 secs Computing kpt #: 312 total cpu time spent up to now is 140.6 secs Computing kpt #: 313 total cpu time spent up to now is 141.0 secs Computing kpt #: 314 total cpu time spent up to now is 141.4 secs Computing kpt #: 315 total cpu time spent up to now is 141.8 secs Computing kpt #: 316 total cpu time spent up to now is 142.3 secs Computing kpt #: 317 total cpu time spent up to now is 142.7 secs Computing kpt #: 318 total cpu time spent up to now is 143.2 secs Computing kpt #: 319 total cpu time spent up to now is 143.7 secs Computing kpt #: 320 total cpu time spent up to now is 144.2 secs Computing kpt #: 321 total cpu time spent up to now is 144.7 secs Computing kpt #: 322 total cpu time spent up to now is 145.2 secs Computing kpt #: 323 total cpu time spent up to now is 145.7 secs Computing kpt #: 324 total cpu time spent up to now is 146.3 secs Computing kpt #: 325 total cpu time spent up to now is 146.8 secs Computing kpt #: 326 total cpu time spent up to now is 147.2 secs Computing kpt #: 327 total cpu time spent up to now is 147.5 secs Computing kpt #: 328 total cpu time spent up to now is 147.9 secs Computing kpt #: 329 total cpu time spent up to now is 148.3 secs Computing kpt #: 330 total cpu time spent up to now is 148.6 secs Computing kpt #: 331 total cpu time spent up to now is 149.0 secs Computing kpt #: 332 total cpu time spent up to now is 149.4 secs Computing kpt #: 333 total cpu time spent up to now is 149.7 secs Computing kpt #: 334 total cpu time spent up to now is 150.1 secs Computing kpt #: 335 total cpu time spent up to now is 150.6 secs Computing kpt #: 336 total cpu time spent up to now is 151.0 secs ethr = 2.94E-08, avg # of iterations = 35.5 total cpu time spent up to now is 151.0 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2607 PWs) bands (ev): -25.0065 -25.0065 -7.7935 -7.7935 -6.6893 -6.6893 -6.6004 -6.6004 1.9807 1.9807 2.2458 2.2458 2.3619 2.3619 2.4449 2.4449 2.8558 2.8558 3.8502 3.8502 4.0367 4.0367 4.1983 4.1983 4.2206 4.2206 4.3011 4.3011 4.6196 4.6196 10.6118 10.6118 11.1713 11.1713 11.1997 11.1997 12.3061 12.3061 13.9890 13.9890 15.5696 15.5696 k = 0.0135 0.0078-0.0000 ( 2603 PWs) bands (ev): -25.0065 -25.0065 -7.7935 -7.7935 -6.6894 -6.6894 -6.6004 -6.6004 1.9814 1.9814 2.2455 2.2455 2.3619 2.3619 2.4443 2.4443 2.8571 2.8571 3.8492 3.8492 4.0379 4.0379 4.1985 4.1985 4.2212 4.2212 4.3009 4.3009 4.6199 4.6199 10.5896 10.5896 11.0752 11.0752 11.3192 11.3192 12.3056 12.3056 13.9854 13.9854 15.5702 15.5702 k = 0.0270 0.0156-0.0000 ( 2603 PWs) bands (ev): -25.0065 -25.0065 -7.7936 -7.7936 -6.6896 -6.6896 -6.6004 -6.6004 1.9834 1.9834 2.2446 2.2446 2.3619 2.3619 2.4428 2.4428 2.8608 2.8608 3.8464 3.8464 4.0415 4.0415 4.1989 4.1989 4.2231 4.2231 4.3002 4.3002 4.6207 4.6207 10.5237 10.5237 10.9976 10.9976 11.4662 11.4662 12.3041 12.3041 13.9748 13.9748 15.5705 15.5705 k = 0.0405 0.0234-0.0000 ( 2603 PWs) bands (ev): -25.0065 -25.0065 -7.7938 -7.7938 -6.6900 -6.6900 -6.6006 -6.6006 1.9868 1.9868 2.2430 2.2430 2.3619 2.3619 2.4403 2.4403 2.8671 2.8671 3.8420 3.8420 4.0471 4.0471 4.1996 4.1996 4.2263 4.2263 4.2991 4.2991 4.6220 4.6220 10.4215 10.4215 10.9496 10.9496 11.6220 11.6220 12.3016 12.3016 13.9578 13.9578 15.5655 15.5655 k = 0.0541 0.0312-0.0000 ( 2607 PWs) bands (ev): -25.0065 -25.0065 -7.7940 -7.7940 -6.6904 -6.6904 -6.6007 -6.6007 1.9914 1.9914 2.2409 2.2409 2.3619 2.3619 2.4368 2.4368 2.8758 2.8758 3.8363 3.8363 4.0543 4.0543 4.2003 4.2003 4.2308 4.2308 4.2977 4.2977 4.6237 4.6237 10.2961 10.2961 10.9212 10.9212 11.7828 11.7828 12.2985 12.2985 13.9354 13.9354 15.5418 15.5418 k = 0.0676 0.0390-0.0000 ( 2615 PWs) bands (ev): -25.0064 -25.0064 -7.7943 -7.7943 -6.6910 -6.6910 -6.6009 -6.6009 1.9972 1.9972 2.2382 2.2382 2.3618 2.3618 2.4324 2.4324 2.8871 2.8871 3.8298 3.8298 4.0628 4.0628 4.2009 4.2009 4.2368 4.2368 4.2962 4.2962 4.6260 4.6260 10.1583 10.1583 10.9034 10.9034 11.9456 11.9456 12.2959 12.2959 13.9087 13.9087 15.4871 15.4871 k = 0.0811 0.0468-0.0000 ( 2619 PWs) bands (ev): -25.0064 -25.0064 -7.7947 -7.7947 -6.6918 -6.6918 -6.6011 -6.6011 2.0040 2.0040 2.2349 2.2349 2.3618 2.3618 2.4273 2.4273 2.9009 2.9009 3.8227 3.8227 4.0722 4.0722 4.2014 4.2014 4.2442 4.2442 4.2947 4.2947 4.6287 4.6287 10.0142 10.0142 10.8909 10.8909 12.1036 12.1036 12.2993 12.2993 13.8789 13.8789 15.4109 15.4109 k = 0.0946 0.0546-0.0000 ( 2627 PWs) bands (ev): -25.0064 -25.0064 -7.7951 -7.7951 -6.6926 -6.6926 -6.6014 -6.6014 2.0116 2.0116 2.2312 2.2312 2.3617 2.3617 2.4215 2.4215 2.9171 2.9171 3.8155 3.8155 4.0821 4.0821 4.2014 4.2014 4.2530 4.2530 4.2936 4.2936 4.6317 4.6317 9.8671 9.8671 10.8811 10.8811 12.2161 12.2161 12.3480 12.3480 13.8471 13.8471 15.3253 15.3253 k = 0.1081 0.0624-0.0000 ( 2631 PWs) bands (ev): -25.0063 -25.0063 -7.7956 -7.7956 -6.6936 -6.6936 -6.6017 -6.6017 2.0199 2.0199 2.2269 2.2269 2.3617 2.3617 2.4150 2.4150 2.9359 2.9359 3.8082 3.8082 4.0923 4.0923 4.2010 4.2010 4.2632 4.2632 4.2930 4.2930 4.6351 4.6351 9.7185 9.7185 10.8726 10.8726 12.2358 12.2358 12.4885 12.4885 13.8144 13.8144 15.2372 15.2372 k = 0.1216 0.0702-0.0000 ( 2631 PWs) bands (ev): -25.0063 -25.0063 -7.7961 -7.7961 -6.6947 -6.6947 -6.6020 -6.6020 2.0288 2.0288 2.2221 2.2221 2.3616 2.3616 2.4081 2.4081 2.9572 2.9572 3.8012 3.8012 4.1024 4.1024 4.1998 4.1998 4.2746 4.2746 4.2934 4.2934 4.6389 4.6389 9.5694 9.5694 10.8646 10.8646 12.2288 12.2288 12.6537 12.6537 13.7819 13.7819 15.1508 15.1508 k = 0.1351 0.0780-0.0000 ( 2635 PWs) bands (ev): -25.0062 -25.0062 -7.7967 -7.7967 -6.6959 -6.6959 -6.6023 -6.6023 2.0380 2.0380 2.2170 2.2170 2.3615 2.3615 2.4009 2.4009 2.9810 2.9810 3.7947 3.7947 4.1124 4.1124 4.1979 4.1979 4.2869 4.2869 4.2953 4.2953 4.6429 4.6429 9.4203 9.4203 10.8568 10.8568 12.2149 12.2149 12.8222 12.8222 13.7506 13.7506 15.0689 15.0689 k = 0.1486 0.0858-0.0000 ( 2635 PWs) bands (ev): -25.0062 -25.0062 -7.7974 -7.7974 -6.6972 -6.6972 -6.6027 -6.6027 2.0472 2.0472 2.2114 2.2114 2.3613 2.3613 2.3935 2.3935 3.0071 3.0071 3.7887 3.7887 4.1220 4.1220 4.1952 4.1952 4.2954 4.2954 4.3034 4.3034 4.6473 4.6473 9.2714 9.2714 10.8488 10.8488 12.1969 12.1969 12.9891 12.9891 13.7219 13.7219 14.9941 14.9941 k = 0.1622 0.0936-0.0000 ( 2635 PWs) bands (ev): -25.0061 -25.0061 -7.7980 -7.7980 -6.6985 -6.6985 -6.6031 -6.6031 2.0564 2.0564 2.2055 2.2055 2.3611 2.3611 2.3862 2.3862 3.0356 3.0356 3.7834 3.7834 4.1310 4.1310 4.1918 4.1918 4.2998 4.2998 4.3179 4.3179 4.6520 4.6520 9.1230 9.1230 10.8405 10.8405 12.1757 12.1757 13.1507 13.1507 13.6978 13.6978 14.9287 14.9287 k = 0.1757 0.1014-0.0000 ( 2629 PWs) bands (ev): -25.0060 -25.0060 -7.7987 -7.7987 -6.7000 -6.7000 -6.6035 -6.6035 2.0652 2.0652 2.1993 2.1993 2.3606 2.3606 2.3791 2.3791 3.0662 3.0662 3.7790 3.7790 4.1394 4.1394 4.1879 4.1879 4.3051 4.3051 4.3341 4.3341 4.6570 4.6570 8.9752 8.9752 10.8319 10.8319 12.1514 12.1514 13.3004 13.3004 13.6824 13.6824 14.8755 14.8755 k = 0.1892 0.1092-0.0000 ( 2625 PWs) bands (ev): -25.0060 -25.0060 -7.7995 -7.7995 -6.7015 -6.7015 -6.6039 -6.6039 2.0735 2.0735 2.1928 2.1928 2.3596 2.3596 2.3729 2.3729 3.0989 3.0989 3.7755 3.7755 4.1467 4.1467 4.1840 4.1840 4.3115 4.3115 4.3513 4.3513 4.6623 4.6623 8.8279 8.8279 10.8229 10.8229 12.1242 12.1242 13.4235 13.4235 13.6875 13.6875 14.8377 14.8377 k = 0.2027 0.1170-0.0000 ( 2623 PWs) bands (ev): -25.0059 -25.0059 -7.8002 -7.8002 -6.7030 -6.7030 -6.6043 -6.6043 2.0811 2.0811 2.1860 2.1860 2.3573 2.3573 2.3683 2.3683 3.1332 3.1332 3.7732 3.7732 4.1524 4.1524 4.1808 4.1808 4.3192 4.3192 4.3693 4.3693 4.6680 4.6680 8.6813 8.6813 10.8135 10.8135 12.0943 12.0943 13.4935 13.4935 13.7351 13.7351 14.8197 14.8197 k = 0.2162 0.1248-0.0000 ( 2627 PWs) bands (ev): -25.0058 -25.0058 -7.8010 -7.8010 -6.7046 -6.7046 -6.6047 -6.6047 2.0879 2.0879 2.1789 2.1789 2.3534 2.3534 2.3659 2.3659 3.1689 3.1689 3.7720 3.7720 4.1551 4.1551 4.1797 4.1797 4.3281 4.3281 4.3882 4.3882 4.6742 4.6742 8.5353 8.5353 10.8036 10.8036 12.0617 12.0617 13.5118 13.5118 13.8183 13.8183 14.8264 14.8264 k = 0.2297 0.1326-0.0000 ( 2625 PWs) bands (ev): -25.0058 -25.0058 -7.8018 -7.8018 -6.7062 -6.7062 -6.6051 -6.6051 2.0936 2.0936 2.1717 2.1717 2.3489 2.3489 2.3649 2.3649 3.2056 3.2056 3.7723 3.7723 4.1543 4.1543 4.1816 4.1816 4.3382 4.3382 4.4078 4.4078 4.6810 4.6810 8.3899 8.3899 10.7934 10.7934 12.0269 12.0269 13.5087 13.5087 13.9010 13.9010 14.8608 14.8608 k = 0.2432 0.1404-0.0000 ( 2615 PWs) bands (ev): -25.0057 -25.0057 -7.8026 -7.8026 -6.7079 -6.7079 -6.6055 -6.6055 2.0982 2.0982 2.1642 2.1642 2.3446 2.3446 2.3645 2.3645 3.2427 3.2427 3.7740 3.7740 4.1510 4.1510 4.1854 4.1854 4.3495 4.3495 4.4283 4.4283 4.6884 4.6884 8.2453 8.2453 10.7828 10.7828 11.9902 11.9902 13.4996 13.4996 13.9651 13.9651 14.9108 14.9108 k = 0.2568 0.1482-0.0000 ( 2611 PWs) bands (ev): -25.0056 -25.0056 -7.8034 -7.8034 -6.7095 -6.7095 -6.6059 -6.6059 2.1016 2.1016 2.1566 2.1566 2.3410 2.3410 2.3644 2.3644 3.2797 3.2797 3.7772 3.7772 4.1468 4.1468 4.1899 4.1899 4.3617 4.3617 4.4497 4.4497 4.6966 4.6966 8.1013 8.1013 10.7719 10.7719 11.9520 11.9520 13.4895 13.4895 14.0077 14.0077 14.9134 14.9135 k = 0.2703 0.1560-0.0000 ( 2621 PWs) bands (ev): -25.0055 -25.0055 -7.8042 -7.8042 -6.7112 -6.7112 -6.6063 -6.6063 2.1039 2.1039 2.1489 2.1489 2.3382 2.3382 2.3643 2.3643 3.3159 3.3159 3.7821 3.7821 4.1424 4.1424 4.1943 4.1943 4.3747 4.3747 4.4721 4.4721 4.7060 4.7060 7.9581 7.9581 10.7607 10.7607 11.9127 11.9127 13.4800 13.4800 14.0328 14.0328 14.8814 14.8814 k = 0.2838 0.1638-0.0000 ( 2619 PWs) bands (ev): -25.0055 -25.0055 -7.8050 -7.8050 -6.7128 -6.7128 -6.6067 -6.6067 2.1051 2.1051 2.1411 2.1411 2.3363 2.3363 2.3644 2.3644 3.3506 3.3506 3.7886 3.7886 4.1385 4.1385 4.1985 4.1985 4.3884 4.3884 4.4958 4.4958 4.7168 4.7168 7.8157 7.8157 10.7494 10.7494 11.8727 11.8727 13.4718 13.4718 14.0461 14.0461 14.8459 14.8459 k = 0.2973 0.1716-0.0000 ( 2619 PWs) bands (ev): -25.0054 -25.0054 -7.8058 -7.8058 -6.7144 -6.7144 -6.6070 -6.6070 2.1051 2.1051 2.1333 2.1333 2.3354 2.3354 2.3644 2.3644 3.3831 3.3831 3.7967 3.7967 4.1351 4.1351 4.2023 4.2023 4.4023 4.4023 4.5209 4.5209 4.7295 4.7295 7.6740 7.6740 10.7380 10.7380 11.8326 11.8326 13.4652 13.4652 14.0523 14.0523 14.8116 14.8116 k = 0.3108 0.1794-0.0000 ( 2615 PWs) bands (ev): -25.0053 -25.0053 -7.8065 -7.8065 -6.7159 -6.7159 -6.6074 -6.6074 2.1042 2.1042 2.1258 2.1258 2.3351 2.3351 2.3645 2.3645 3.4130 3.4130 3.8061 3.8061 4.1327 4.1327 4.2056 4.2056 4.4163 4.4163 4.5472 4.5472 4.7451 4.7451 7.5333 7.5333 10.7266 10.7266 11.7929 11.7929 13.4602 13.4602 14.0548 14.0548 14.7795 14.7795 k = 0.3243 0.1872-0.0000 ( 2613 PWs) bands (ev): -25.0053 -25.0053 -7.8073 -7.8073 -6.7174 -6.7174 -6.6077 -6.6077 2.1021 2.1021 2.1188 2.1188 2.3356 2.3356 2.3646 2.3646 3.4398 3.4398 3.8164 3.8164 4.1312 4.1312 4.2085 4.2085 4.4298 4.4298 4.5744 4.5744 4.7647 4.7647 7.3935 7.3935 10.7154 10.7154 11.7539 11.7539 13.4567 13.4567 14.0555 14.0555 14.7498 14.7498 k = 0.3378 0.1951-0.0000 ( 2611 PWs) bands (ev): -25.0052 -25.0052 -7.8080 -7.8080 -6.7188 -6.7188 -6.6080 -6.6080 2.0986 2.0986 2.1127 2.1127 2.3366 2.3366 2.3647 2.3647 3.4633 3.4633 3.8270 3.8270 4.1308 4.1308 4.2110 4.2110 4.4426 4.4426 4.6014 4.6014 4.7901 4.7901 7.2547 7.2547 10.7044 10.7044 11.7162 11.7162 13.4546 13.4546 14.0556 14.0556 14.7228 14.7228 k = 0.3514 0.2029-0.0000 ( 2605 PWs) bands (ev): -25.0051 -25.0051 -7.8086 -7.8086 -6.7202 -6.7202 -6.6083 -6.6083 2.0938 2.0938 2.1080 2.1080 2.3380 2.3380 2.3648 2.3648 3.4837 3.4837 3.8375 3.8375 4.1316 4.1316 4.2130 4.2130 4.4545 4.4545 4.6268 4.6268 4.8230 4.8230 7.1171 7.1171 10.6937 10.6937 11.6802 11.6802 13.4538 13.4538 14.0557 14.0557 14.6984 14.6984 k = 0.3649 0.2107-0.0000 ( 2603 PWs) bands (ev): -25.0051 -25.0051 -7.8093 -7.8093 -6.7215 -6.7215 -6.6086 -6.6086 2.0879 2.0879 2.1044 2.1044 2.3396 2.3396 2.3649 2.3649 3.5010 3.5010 3.8473 3.8473 4.1335 4.1335 4.2146 4.2146 4.4652 4.4652 4.6493 4.6493 4.8652 4.8652 6.9807 6.9807 10.6835 10.6835 11.6461 11.6461 13.4540 13.4540 14.0562 14.0562 14.6765 14.6765 k = 0.3784 0.2185-0.0000 ( 2609 PWs) bands (ev): -25.0050 -25.0050 -7.8099 -7.8099 -6.7226 -6.7226 -6.6089 -6.6089 2.0817 2.0817 2.1014 2.1014 2.3415 2.3415 2.3649 2.3649 3.5155 3.5155 3.8559 3.8559 4.1362 4.1362 4.2158 4.2158 4.4748 4.4748 4.6683 4.6683 4.9173 4.9173 6.8457 6.8457 10.6738 10.6738 11.6144 11.6144 13.4550 13.4550 14.0572 14.0572 14.6572 14.6572 k = 0.3919 0.2263-0.0000 ( 2613 PWs) bands (ev): -25.0050 -25.0050 -7.8104 -7.8104 -6.7237 -6.7237 -6.6091 -6.6091 2.0756 2.0756 2.0988 2.0988 2.3433 2.3433 2.3650 2.3650 3.5276 3.5276 3.8632 3.8632 4.1397 4.1397 4.2167 4.2167 4.4831 4.4831 4.6840 4.6840 4.9790 4.9790 6.7123 6.7123 10.6649 10.6649 11.5852 11.5852 13.4566 13.4566 14.0586 14.0586 14.6402 14.6402 k = 0.4054 0.2341-0.0000 ( 2613 PWs) bands (ev): -25.0049 -25.0049 -7.8109 -7.8109 -6.7247 -6.7247 -6.6093 -6.6093 2.0699 2.0699 2.0965 2.0965 2.3452 2.3452 2.3650 2.3650 3.5377 3.5377 3.8690 3.8690 4.1437 4.1437 4.2173 4.2173 4.4903 4.4903 4.6968 4.6968 5.0495 5.0495 6.5805 6.5805 10.6567 10.6567 11.5590 11.5590 13.4587 13.4587 14.0603 14.0603 14.6255 14.6255 k = 0.4189 0.2419-0.0000 ( 2616 PWs) bands (ev): -25.0049 -25.0049 -7.8113 -7.8113 -6.7255 -6.7255 -6.6095 -6.6095 2.0647 2.0647 2.0945 2.0945 2.3470 2.3470 2.3649 2.3649 3.5459 3.5459 3.8735 3.8735 4.1478 4.1478 4.2176 4.2176 4.4964 4.4964 4.7073 4.7073 5.1277 5.1277 6.4506 6.4506 10.6494 10.6494 11.5358 11.5358 13.4610 13.4610 14.0622 14.0622 14.6131 14.6131 k = 0.4324 0.2497-0.0000 ( 2612 PWs) bands (ev): -25.0049 -25.0049 -7.8116 -7.8116 -6.7262 -6.7262 -6.6096 -6.6096 2.0602 2.0602 2.0927 2.0927 2.3486 2.3486 2.3649 2.3649 3.5525 3.5525 3.8768 3.8768 4.1518 4.1518 4.2178 4.2178 4.5014 4.5014 4.7158 4.7158 5.2130 5.2130 6.3228 6.3228 10.6430 10.6430 11.5160 11.5160 13.4634 13.4634 14.0641 14.0641 14.6027 14.6027 k = 0.4459 0.2575-0.0000 ( 2612 PWs) bands (ev): -25.0049 -25.0049 -7.8119 -7.8119 -6.7268 -6.7268 -6.6098 -6.6098 2.0564 2.0564 2.0913 2.0913 2.3500 2.3500 2.3648 2.3648 3.5578 3.5578 3.8792 3.8792 4.1554 4.1554 4.2177 4.2177 4.5054 4.5054 4.7226 4.7226 5.3043 5.3043 6.1972 6.1972 10.6377 10.6377 11.4995 11.4995 13.4655 13.4655 14.0659 14.0659 14.5944 14.5944 k = 0.4595 0.2653-0.0000 ( 2612 PWs) bands (ev): -25.0048 -25.0048 -7.8122 -7.8122 -6.7273 -6.7273 -6.6099 -6.6099 2.0534 2.0534 2.0901 2.0901 2.3512 2.3512 2.3647 2.3647 3.5617 3.5617 3.8808 3.8808 4.1584 4.1584 4.2176 4.2176 4.5084 4.5084 4.7277 4.7277 5.4012 5.4012 6.0742 6.0742 10.6335 10.6335 11.4866 11.4866 13.4674 13.4674 14.0674 14.0674 14.5880 14.5880 k = 0.4730 0.2731-0.0000 ( 2616 PWs) bands (ev): -25.0048 -25.0048 -7.8123 -7.8123 -6.7277 -6.7277 -6.6099 -6.6099 2.0512 2.0512 2.0892 2.0892 2.3521 2.3521 2.3646 2.3646 3.5645 3.5645 3.8818 3.8818 4.1607 4.1607 4.2175 4.2175 4.5106 4.5106 4.7314 4.7314 5.5028 5.5028 5.9542 5.9542 10.6305 10.6305 11.4773 11.4773 13.4688 13.4688 14.0686 14.0686 14.5835 14.5835 k = 0.4865 0.2809-0.0000 ( 2612 PWs) bands (ev): -25.0048 -25.0048 -7.8124 -7.8124 -6.7279 -6.7279 -6.6100 -6.6100 2.0499 2.0499 2.0887 2.0887 2.3526 2.3526 2.3646 2.3646 3.5661 3.5661 3.8824 3.8824 4.1622 4.1622 4.2174 4.2174 4.5119 4.5119 4.7336 4.7336 5.6080 5.6080 5.8380 5.8380 10.6286 10.6286 11.4717 11.4717 13.4697 13.4697 14.0693 14.0693 14.5808 14.5808 k = 0.5000 0.2887-0.0000 ( 2614 PWs) bands (ev): -25.0048 -25.0048 -7.8125 -7.8125 -6.7279 -6.7279 -6.6100 -6.6100 2.0494 2.0494 2.0885 2.0885 2.3528 2.3528 2.3645 2.3645 3.5666 3.5666 3.8825 3.8825 4.1626 4.1626 4.2173 4.2173 4.5123 4.5123 4.7343 4.7343 5.6968 5.6968 5.7455 5.7455 10.6280 10.6280 11.4698 11.4698 13.4700 13.4700 14.0696 14.0696 14.5799 14.5799 k = 0.5000 0.2887-0.0000 ( 2614 PWs) bands (ev): -25.0048 -25.0048 -7.8125 -7.8125 -6.7279 -6.7279 -6.6100 -6.6100 2.0494 2.0494 2.0885 2.0885 2.3528 2.3528 2.3645 2.3645 3.5666 3.5666 3.8825 3.8825 4.1626 4.1626 4.2173 4.2173 4.5123 4.5123 4.7343 4.7343 5.6968 5.6968 5.7455 5.7455 10.6280 10.6280 11.4698 11.4698 13.4700 13.4700 14.0696 14.0696 14.5799 14.5799 k = 0.4924 0.3018-0.0000 ( 2618 PWs) bands (ev): -25.0048 -25.0048 -7.8125 -7.8125 -6.7279 -6.7279 -6.6100 -6.6100 2.0490 2.0490 2.0887 2.0887 2.3528 2.3528 2.3647 2.3647 3.5663 3.5663 3.8829 3.8829 4.1606 4.1606 4.2188 4.2188 4.5125 4.5125 4.7357 4.7357 5.6976 5.6976 5.7467 5.7467 10.5943 10.5943 11.5022 11.5022 13.4716 13.4716 14.0704 14.0704 14.5789 14.5789 k = 0.4848 0.3149-0.0000 ( 2628 PWs) bands (ev): -25.0048 -25.0048 -7.8125 -7.8125 -6.7280 -6.7280 -6.6100 -6.6100 2.0475 2.0475 2.0890 2.0890 2.3527 2.3527 2.3653 2.3653 3.5653 3.5653 3.8840 3.8840 4.1551 4.1551 4.2226 4.2226 4.5130 4.5130 4.7399 4.7399 5.6997 5.6997 5.7504 5.7504 10.5054 10.5054 11.5869 11.5869 13.4766 13.4766 14.0729 14.0729 14.5758 14.5758 k = 0.4773 0.3280-0.0000 ( 2624 PWs) bands (ev): -25.0048 -25.0048 -7.8126 -7.8126 -6.7280 -6.7280 -6.6101 -6.6101 2.0453 2.0453 2.0895 2.0895 2.3527 2.3527 2.3661 2.3661 3.5637 3.5637 3.8858 3.8858 4.1474 4.1474 4.2274 4.2274 4.5140 4.5140 4.7469 4.7469 5.7024 5.7024 5.7575 5.7575 10.3833 10.3833 11.7020 11.7020 13.4849 13.4849 14.0769 14.0769 14.5706 14.5706 k = 0.4697 0.3412-0.0000 ( 2624 PWs) bands (ev): -25.0048 -25.0048 -7.8126 -7.8126 -6.7281 -6.7281 -6.6103 -6.6103 2.0423 2.0423 2.0901 2.0901 2.3528 2.3528 2.3673 2.3673 3.5616 3.5616 3.8883 3.8883 4.1385 4.1385 4.2323 4.2323 4.5154 4.5154 4.7565 4.7565 5.7047 5.7047 5.7687 5.7687 10.2434 10.2434 11.8319 11.8319 13.4964 13.4964 14.0824 14.0824 14.5636 14.5636 k = 0.4621 0.3543-0.0000 ( 2626 PWs) bands (ev): -25.0048 -25.0048 -7.8127 -7.8127 -6.7282 -6.7282 -6.6104 -6.6104 2.0387 2.0387 2.0907 2.0907 2.3529 2.3529 2.3686 2.3686 3.5589 3.5589 3.8914 3.8914 4.1291 4.1291 4.2365 4.2365 4.5173 4.5173 4.7687 4.7687 5.7064 5.7064 5.7841 5.7841 10.0944 10.0944 11.9677 11.9677 13.5111 13.5111 14.0894 14.0894 14.5548 14.5548 k = 0.4545 0.3674-0.0000 ( 2624 PWs) bands (ev): -25.0048 -25.0048 -7.8128 -7.8128 -6.7283 -6.7283 -6.6106 -6.6106 2.0346 2.0346 2.0912 2.0912 2.3531 2.3531 2.3702 2.3702 3.5559 3.5559 3.8951 3.8951 4.1195 4.1195 4.2397 4.2397 4.5197 4.5197 4.7833 4.7833 5.7074 5.7074 5.8036 5.8036 9.9410 9.9410 12.1044 12.1044 13.5288 13.5288 14.0977 14.0977 14.5444 14.5444 k = 0.4470 0.3805-0.0000 ( 2616 PWs) bands (ev): -25.0048 -25.0048 -7.8128 -7.8128 -6.7284 -6.7284 -6.6108 -6.6108 2.0301 2.0301 2.0917 2.0917 2.3533 2.3533 2.3718 2.3718 3.5526 3.5526 3.8994 3.8994 4.1098 4.1098 4.2419 4.2419 4.5226 4.5226 4.8002 4.8002 5.7080 5.7080 5.8268 5.8268 9.7861 9.7861 12.2390 12.2390 13.5495 13.5495 14.1070 14.1070 14.5326 14.5326 k = 0.4394 0.3936-0.0000 ( 2612 PWs) bands (ev): -25.0047 -25.0047 -7.8129 -7.8129 -6.7285 -6.7285 -6.6110 -6.6110 2.0254 2.0254 2.0920 2.0920 2.3537 2.3537 2.3736 2.3736 3.5491 3.5491 3.9041 3.9041 4.1004 4.1004 4.2429 4.2429 4.5259 4.5259 4.8192 4.8192 5.7085 5.7085 5.8530 5.8530 9.6316 9.6316 12.3693 12.3693 13.5731 13.5731 14.1173 14.1173 14.5197 14.5197 k = 0.4318 0.4068-0.0000 ( 2612 PWs) bands (ev): -25.0047 -25.0047 -7.8131 -7.8131 -6.7287 -6.7287 -6.6112 -6.6112 2.0205 2.0205 2.0922 2.0922 2.3542 2.3542 2.3753 2.3753 3.5456 3.5456 3.9091 3.9091 4.0911 4.0911 4.2427 4.2427 4.5295 4.5295 4.8400 4.8400 5.7092 5.7092 5.8816 5.8816 9.4791 9.4791 12.4938 12.4938 13.5993 13.5993 14.1284 14.1284 14.5059 14.5059 k = 0.4242 0.4199-0.0000 ( 2616 PWs) bands (ev): -25.0047 -25.0047 -7.8132 -7.8132 -6.7288 -6.7288 -6.6114 -6.6114 2.0156 2.0156 2.0923 2.0923 2.3547 2.3547 2.3771 2.3771 3.5421 3.5421 3.9146 3.9146 4.0822 4.0822 4.2417 4.2417 4.5333 4.5333 4.8623 4.8623 5.7105 5.7105 5.9119 5.9119 9.3297 9.3297 12.6113 12.6113 13.6279 13.6279 14.1400 14.1400 14.4915 14.4915 k = 0.4167 0.4330-0.0000 ( 2616 PWs) bands (ev): -25.0047 -25.0047 -7.8133 -7.8133 -6.7290 -6.7290 -6.6117 -6.6117 2.0106 2.0106 2.0922 2.0922 2.3553 2.3553 2.3788 2.3788 3.5386 3.5386 3.9202 3.9202 4.0737 4.0737 4.2398 4.2398 4.5372 4.5372 4.8857 4.8857 5.7126 5.7126 5.9432 5.9432 9.1846 9.1846 12.7207 12.7207 13.6587 13.6587 14.1519 14.1519 14.4768 14.4768 k = 0.4091 0.4461-0.0000 ( 2624 PWs) bands (ev): -25.0047 -25.0047 -7.8134 -7.8134 -6.7292 -6.7292 -6.6119 -6.6119 2.0057 2.0057 2.0921 2.0921 2.3559 2.3559 2.3805 2.3805 3.5354 3.5354 3.9261 3.9261 4.0655 4.0655 4.2372 4.2372 4.5410 4.5410 4.9098 4.9098 5.7160 5.7160 5.9744 5.9744 9.0451 9.0451 12.8212 12.8212 13.6915 13.6915 14.1641 14.1641 14.4622 14.4622 k = 0.4015 0.4593-0.0000 ( 2628 PWs) bands (ev): -25.0047 -25.0047 -7.8136 -7.8136 -6.7294 -6.7294 -6.6122 -6.6122 2.0010 2.0010 2.0919 2.0919 2.3566 2.3566 2.3821 2.3821 3.5324 3.5324 3.9321 3.9321 4.0578 4.0578 4.2343 4.2343 4.5448 4.5448 4.9340 4.9340 5.7210 5.7210 6.0048 6.0048 8.9124 8.9124 12.9125 12.9125 13.7257 13.7257 14.1765 14.1765 14.4479 14.4479 k = 0.3939 0.4724-0.0000 ( 2624 PWs) bands (ev): -25.0047 -25.0047 -7.8137 -7.8137 -6.7295 -6.7295 -6.6124 -6.6124 1.9965 1.9965 2.0917 2.0917 2.3572 2.3572 2.3836 2.3836 3.5297 3.5297 3.9382 3.9382 4.0504 4.0504 4.2311 4.2311 4.5483 4.5483 4.9578 4.9578 5.7282 5.7282 6.0329 6.0329 8.7877 8.7877 12.9939 12.9939 13.7608 13.7608 14.1892 14.1892 14.4344 14.4344 k = 0.3864 0.4855-0.0000 ( 2622 PWs) bands (ev): -25.0046 -25.0046 -7.8138 -7.8138 -6.7297 -6.7297 -6.6126 -6.6126 1.9924 1.9924 2.0914 2.0914 2.3579 2.3579 2.3849 2.3849 3.5274 3.5274 3.9443 3.9443 4.0434 4.0434 4.2278 4.2278 4.5515 4.5515 4.9806 4.9806 5.7380 5.7380 6.0577 6.0577 8.6726 8.6726 13.0652 13.0652 13.7962 13.7962 14.2028 14.2028 14.4219 14.4219 k = 0.3788 0.4986-0.0000 ( 2626 PWs) bands (ev): -25.0046 -25.0046 -7.8139 -7.8139 -6.7299 -6.7299 -6.6128 -6.6128 1.9886 1.9886 2.0911 2.0911 2.3585 2.3585 2.3861 2.3861 3.5254 3.5254 3.9503 3.9503 4.0368 4.0368 4.2247 4.2247 4.5544 4.5544 5.0017 5.0017 5.7508 5.7508 6.0777 6.0777 8.5687 8.5687 13.1264 13.1264 13.8309 13.8309 14.2177 14.2177 14.4107 14.4107 k = 0.3712 0.5117-0.0000 ( 2626 PWs) bands (ev): -25.0046 -25.0046 -7.8140 -7.8140 -6.7301 -6.7301 -6.6130 -6.6130 1.9853 1.9853 2.0907 2.0907 2.3590 2.3590 2.3871 2.3871 3.5238 3.5238 3.9560 3.9560 4.0307 4.0307 4.2217 4.2217 4.5569 4.5569 5.0206 5.0206 5.7669 5.7669 6.0916 6.0916 8.4776 8.4776 13.1773 13.1773 13.8637 13.8637 14.2349 14.2349 14.4011 14.4011 k = 0.3636 0.5249-0.0000 ( 2622 PWs) bands (ev): -25.0046 -25.0046 -7.8141 -7.8141 -6.7302 -6.7302 -6.6131 -6.6131 1.9824 1.9824 2.0904 2.0904 2.3595 2.3595 2.3880 2.3880 3.5225 3.5225 3.9614 3.9614 4.0251 4.0251 4.2192 4.2192 4.5590 4.5590 5.0366 5.0366 5.7864 5.7864 6.0981 6.0981 8.4010 8.4010 13.2182 13.2182 13.8931 13.8931 14.2555 14.2555 14.3932 14.3932 k = 0.3561 0.5380-0.0000 ( 2626 PWs) bands (ev): -25.0046 -25.0046 -7.8142 -7.8142 -6.7303 -6.7303 -6.6132 -6.6132 1.9802 1.9802 2.0902 2.0902 2.3599 2.3599 2.3887 2.3887 3.5216 3.5216 3.9663 3.9663 4.0202 4.0202 4.2171 4.2171 4.5607 4.5607 5.0493 5.0493 5.8088 5.8088 6.0968 6.0968 8.3403 8.3403 13.2492 13.2492 13.9175 13.9175 14.2804 14.2804 14.3872 14.3872 k = 0.3485 0.5511-0.0000 ( 2628 PWs) bands (ev): -25.0046 -25.0046 -7.8143 -7.8143 -6.7304 -6.7304 -6.6133 -6.6133 1.9785 1.9785 2.0900 2.0900 2.3602 2.3602 2.3891 2.3891 3.5210 3.5210 3.9702 3.9702 4.0163 4.0163 4.2155 4.2155 4.5619 4.5619 5.0585 5.0585 5.8325 5.8325 6.0884 6.0884 8.2967 8.2967 13.2708 13.2708 13.9356 13.9356 14.3093 14.3093 14.3833 14.3833 k = 0.3409 0.5642-0.0000 ( 2628 PWs) bands (ev): -25.0046 -25.0046 -7.8143 -7.8143 -6.7305 -6.7305 -6.6133 -6.6133 1.9775 1.9775 2.0898 2.0898 2.3604 2.3604 2.3894 2.3894 3.5207 3.5207 3.9729 3.9729 4.0136 4.0136 4.2146 4.2146 4.5626 4.5626 5.0640 5.0640 5.8536 5.8536 6.0764 6.0764 8.2706 8.2706 13.2833 13.2833 13.9467 13.9467 14.3389 14.3389 14.3813 14.3813 k = 0.3333 0.5774-0.0000 ( 2628 PWs) bands (ev): -25.0046 -25.0046 -7.8143 -7.8143 -6.7305 -6.7305 -6.6134 -6.6134 1.9771 1.9771 2.0898 2.0898 2.3605 2.3605 2.3895 2.3895 3.5206 3.5206 3.9739 3.9739 4.0127 4.0127 4.2142 4.2142 4.5629 4.5629 5.0658 5.0658 5.8634 5.8634 6.0696 6.0696 8.2620 8.2620 13.2873 13.2873 13.9504 13.9504 14.3547 14.3547 14.3810 14.3810 k = 0.3333 0.5774-0.0000 ( 2628 PWs) bands (ev): -25.0046 -25.0046 -7.8143 -7.8143 -6.7305 -6.7305 -6.6134 -6.6134 1.9771 1.9771 2.0898 2.0898 2.3605 2.3605 2.3895 2.3895 3.5206 3.5206 3.9739 3.9739 4.0127 4.0127 4.2142 4.2142 4.5629 4.5629 5.0658 5.0658 5.8634 5.8634 6.0696 6.0696 8.2620 8.2620 13.2873 13.2873 13.9504 13.9504 14.3547 14.3547 14.3810 14.3810 k = 0.3256 0.5639-0.0000 ( 2626 PWs) bands (ev): -25.0046 -25.0046 -7.8143 -7.8143 -6.7305 -6.7305 -6.6133 -6.6133 1.9775 1.9775 2.0898 2.0898 2.3604 2.3604 2.3894 2.3894 3.5206 3.5206 3.9729 3.9729 4.0136 4.0136 4.2146 4.2146 4.5626 4.5626 5.0640 5.0640 5.8498 5.8498 6.0804 6.0804 8.2706 8.2706 13.2833 13.2833 13.9466 13.9466 14.3379 14.3379 14.3821 14.3821 k = 0.3178 0.5505-0.0000 ( 2622 PWs) bands (ev): -25.0046 -25.0046 -7.8142 -7.8142 -6.7304 -6.7304 -6.6133 -6.6133 1.9786 1.9786 2.0900 2.0900 2.3602 2.3602 2.3891 2.3891 3.5208 3.5208 3.9703 3.9703 4.0161 4.0161 4.2155 4.2155 4.5618 4.5618 5.0587 5.0587 5.8096 5.8096 6.1128 6.1128 8.2956 8.2956 13.2718 13.2718 13.9354 13.9354 14.3073 14.3073 14.3853 14.3853 k = 0.3101 0.5371-0.0000 ( 2630 PWs) bands (ev): -25.0046 -25.0046 -7.8142 -7.8142 -6.7303 -6.7303 -6.6132 -6.6132 1.9805 1.9805 2.0903 2.0903 2.3598 2.3598 2.3887 2.3887 3.5210 3.5210 3.9666 3.9666 4.0197 4.0197 4.2171 4.2171 4.5604 4.5604 5.0503 5.0503 5.7504 5.7504 6.1609 6.1609 8.3354 8.3354 13.2536 13.2536 13.9173 13.9173 14.2783 14.2783 14.3899 14.3899 k = 0.3023 0.5236-0.0000 ( 2632 PWs) bands (ev): -25.0046 -25.0046 -7.8141 -7.8141 -6.7301 -6.7301 -6.6131 -6.6131 1.9832 1.9832 2.0908 2.0908 2.3593 2.3593 2.3880 2.3880 3.5212 3.5212 3.9621 3.9621 4.0240 4.0240 4.2192 4.2192 4.5584 4.5584 5.0391 5.0391 5.6790 5.6790 6.2190 6.2190 8.3882 8.3882 13.2294 13.2294 13.8933 13.8933 14.2546 14.2546 14.3956 14.3956 k = 0.2946 0.5102-0.0000 ( 2630 PWs) bands (ev): -25.0046 -25.0046 -7.8139 -7.8139 -6.7298 -6.7298 -6.6129 -6.6129 1.9867 1.9867 2.0914 2.0914 2.3586 2.3586 2.3872 2.3872 3.5212 3.5212 3.9571 3.9571 4.0286 4.0286 4.2218 4.2218 4.5557 4.5557 5.0253 5.0253 5.5999 5.5999 6.2843 6.2843 8.4522 8.4522 13.2000 13.2000 13.8646 13.8646 14.2369 14.2369 14.4018 14.4018 k = 0.2868 0.4968-0.0000 ( 2628 PWs) bands (ev): -25.0047 -25.0047 -7.8137 -7.8137 -6.7294 -6.7294 -6.6127 -6.6127 1.9910 1.9910 2.0922 2.0922 2.3577 2.3577 2.3863 2.3863 3.5209 3.5209 3.9518 3.9518 4.0336 4.0336 4.2247 4.2247 4.5524 4.5524 5.0093 5.0093 5.5160 5.5160 6.3553 6.3553 8.5258 8.5258 13.1659 13.1659 13.8327 13.8327 14.2246 14.2246 14.4084 14.4084 k = 0.2791 0.4834-0.0000 ( 2630 PWs) bands (ev): -25.0047 -25.0047 -7.8135 -7.8135 -6.7290 -6.7290 -6.6125 -6.6125 1.9960 1.9960 2.0931 2.0931 2.3566 2.3566 2.3852 2.3852 3.5203 3.5203 3.9461 3.9461 4.0387 4.0387 4.2279 4.2279 4.5482 4.5482 4.9913 4.9913 5.4296 5.4296 6.4310 6.4310 8.6077 8.6077 13.1279 13.1279 13.7989 13.7989 14.2172 14.2172 14.4150 14.4150 k = 0.2713 0.4699-0.0000 ( 2622 PWs) bands (ev): -25.0047 -25.0047 -7.8132 -7.8132 -6.7285 -6.7285 -6.6123 -6.6123 2.0018 2.0018 2.0942 2.0942 2.3554 2.3554 2.3841 2.3841 3.5192 3.5192 3.9400 3.9400 4.0440 4.0440 4.2312 4.2312 4.5431 4.5431 4.9714 4.9714 5.3425 5.3425 6.5111 6.5111 8.6964 8.6964 13.0866 13.0866 13.7646 13.7646 14.2138 14.2138 14.4212 14.4212 k = 0.2636 0.4565-0.0000 ( 2622 PWs) bands (ev): -25.0047 -25.0047 -7.8128 -7.8128 -6.7279 -6.7279 -6.6120 -6.6120 2.0082 2.0082 2.0954 2.0954 2.3541 2.3541 2.3828 2.3828 3.5174 3.5174 3.9335 3.9335 4.0494 4.0494 4.2346 4.2346 4.5370 4.5370 4.9498 4.9498 5.2564 5.2564 6.5950 6.5950 8.7908 8.7908 13.0426 13.0426 13.7307 13.7307 14.2140 14.2140 14.4271 14.4271 k = 0.2558 0.4431-0.0000 ( 2622 PWs) bands (ev): -25.0048 -25.0048 -7.8125 -7.8125 -6.7272 -6.7272 -6.6117 -6.6117 2.0154 2.0154 2.0969 2.0969 2.3525 2.3525 2.3815 2.3815 3.5150 3.5150 3.9264 3.9264 4.0550 4.0550 4.2379 4.2379 4.5296 4.5296 4.9264 4.9264 5.1730 5.1730 6.6825 6.6825 8.8900 8.8900 12.9963 12.9963 13.6978 13.6978 14.2172 14.2172 14.4324 14.4324 k = 0.2481 0.4297-0.0000 ( 2622 PWs) bands (ev): -25.0048 -25.0048 -7.8121 -7.8121 -6.7264 -6.7264 -6.6114 -6.6114 2.0231 2.0231 2.0984 2.0984 2.3509 2.3509 2.3801 2.3801 3.5116 3.5116 3.9188 3.9188 4.0607 4.0607 4.2412 4.2412 4.5207 4.5207 4.9009 4.9009 5.0941 5.0941 6.7734 6.7734 8.9929 8.9929 12.9482 12.9482 13.6667 13.6667 14.2232 14.2232 14.4372 14.4372 k = 0.2403 0.4162-0.0000 ( 2622 PWs) bands (ev): -25.0049 -25.0049 -7.8116 -7.8116 -6.7255 -6.7255 -6.6110 -6.6110 2.0315 2.0315 2.1001 2.1001 2.3491 2.3491 2.3788 2.3788 3.5071 3.5071 3.9103 3.9103 4.0666 4.0666 4.2442 4.2442 4.5099 4.5099 4.8724 4.8724 5.0218 5.0218 6.8675 6.8675 9.0989 9.0989 12.8989 12.8989 13.6376 13.6376 14.2317 14.2317 14.4415 14.4415 k = 0.2326 0.4028-0.0000 ( 2630 PWs) bands (ev): -25.0049 -25.0049 -7.8111 -7.8111 -6.7246 -6.7246 -6.6107 -6.6107 2.0403 2.0403 2.1018 2.1018 2.3472 2.3472 2.3774 2.3774 3.5012 3.5012 3.9010 3.9010 4.0726 4.0726 4.2469 4.2469 4.4969 4.4969 4.8397 4.8397 4.9589 4.9589 6.9646 6.9646 9.2072 9.2072 12.8489 12.8489 13.6109 13.6109 14.2422 14.2422 14.4454 14.4454 k = 0.2248 0.3894-0.0000 ( 2634 PWs) bands (ev): -25.0050 -25.0050 -7.8105 -7.8105 -6.7235 -6.7235 -6.6103 -6.6103 2.0496 2.0496 2.1037 2.1037 2.3453 2.3453 2.3761 2.3761 3.4937 3.4937 3.8907 3.8907 4.0788 4.0788 4.2493 4.2493 4.4811 4.4811 4.8015 4.8015 4.9081 4.9081 7.0648 7.0648 9.3169 9.3169 12.7984 12.7984 13.5869 13.5869 14.2546 14.2546 14.4492 14.4492 k = 0.2171 0.3759-0.0000 ( 2634 PWs) bands (ev): -25.0050 -25.0050 -7.8100 -7.8100 -6.7224 -6.7224 -6.6099 -6.6099 2.0591 2.0591 2.1055 2.1055 2.3433 2.3433 2.3749 2.3749 3.4843 3.4843 3.8794 3.8794 4.0851 4.0851 4.2514 4.2514 4.4624 4.4624 4.7595 4.7595 4.8687 4.8687 7.1678 7.1678 9.4276 9.4276 12.7480 12.7480 13.5657 13.5657 14.2683 14.2683 14.4532 14.4532 k = 0.2093 0.3625-0.0000 ( 2630 PWs) bands (ev): -25.0051 -25.0051 -7.8093 -7.8093 -6.7212 -6.7212 -6.6095 -6.6095 2.0689 2.0689 2.1074 2.1074 2.3415 2.3415 2.3737 2.3737 3.4726 3.4726 3.8672 3.8672 4.0914 4.0914 4.2530 4.2530 4.4406 4.4406 4.7177 4.7177 4.8375 4.8375 7.2736 7.2736 9.5384 9.5384 12.6982 12.6982 13.5475 13.5475 14.2829 14.2829 14.4574 14.4574 k = 0.2016 0.3491-0.0000 ( 2630 PWs) bands (ev): -25.0051 -25.0051 -7.8087 -7.8087 -6.7199 -6.7199 -6.6091 -6.6091 2.0787 2.0787 2.1093 2.1093 2.3398 2.3398 2.3725 2.3725 3.4583 3.4583 3.8543 3.8543 4.0979 4.0979 4.2543 4.2543 4.4164 4.4164 4.6792 4.6792 4.8114 4.8114 7.3822 7.3822 9.6487 9.6487 12.6493 12.6493 13.5323 13.5323 14.2975 14.2975 14.4623 14.4623 k = 0.1938 0.3357-0.0000 ( 2630 PWs) bands (ev): -25.0052 -25.0052 -7.8080 -7.8080 -6.7185 -6.7185 -6.6087 -6.6087 2.0883 2.0883 2.1114 2.1114 2.3383 2.3383 2.3715 2.3715 3.4409 3.4409 3.8411 3.8411 4.1043 4.1043 4.2551 4.2551 4.3906 4.3906 4.6449 4.6449 4.7887 4.7887 7.4934 7.4934 9.7578 9.7578 12.6018 12.6018 13.5203 13.5203 14.3110 14.3110 14.4679 14.4679 k = 0.1860 0.3222-0.0000 ( 2630 PWs) bands (ev): -25.0053 -25.0053 -7.8072 -7.8072 -6.7171 -6.7171 -6.6083 -6.6083 2.0968 2.0968 2.1141 2.1141 2.3372 2.3372 2.3705 2.3705 3.4203 3.4203 3.8281 3.8281 4.1107 4.1107 4.2556 4.2556 4.3647 4.3647 4.6145 4.6145 4.7687 4.7687 7.6072 7.6072 9.8650 9.8650 12.5560 12.5560 13.5115 13.5115 14.3219 14.3219 14.4745 14.4745 k = 0.1783 0.3088-0.0000 ( 2630 PWs) bands (ev): -25.0053 -25.0053 -7.8065 -7.8065 -6.7156 -6.7156 -6.6078 -6.6078 2.1028 2.1028 2.1187 2.1187 2.3367 2.3367 2.3697 2.3697 3.3963 3.3963 3.8157 3.8157 4.1171 4.1171 4.2557 4.2557 4.3397 4.3397 4.5870 4.5870 4.7509 4.7509 7.7235 7.7235 9.9696 9.9696 12.5125 12.5125 13.5058 13.5058 14.3270 14.3270 14.4825 14.4825 k = 0.1705 0.2954-0.0000 ( 2616 PWs) bands (ev): -25.0054 -25.0054 -7.8057 -7.8057 -6.7140 -6.7140 -6.6074 -6.6074 2.1054 2.1054 2.1260 2.1260 2.3367 2.3367 2.3689 2.3689 3.3690 3.3690 3.8045 3.8045 4.1233 4.1233 4.2554 4.2554 4.3165 4.3165 4.5613 4.5613 4.7353 4.7353 7.8423 7.8423 10.0709 10.0709 12.4717 12.4717 13.5032 13.5032 14.3219 14.3219 14.4926 14.4926 k = 0.1628 0.2820-0.0000 ( 2616 PWs) bands (ev): -25.0055 -25.0055 -7.8049 -7.8049 -6.7125 -6.7125 -6.6069 -6.6069 2.1056 2.1056 2.1347 2.1347 2.3375 2.3375 2.3683 2.3683 3.3387 3.3387 3.7948 3.7948 4.1292 4.1292 4.2548 4.2548 4.2959 4.2959 4.5367 4.5367 4.7216 4.7216 7.9636 7.9636 10.1680 10.1680 12.4339 12.4339 13.5037 13.5037 14.2999 14.2999 14.5065 14.5065 k = 0.1550 0.2685-0.0000 ( 2624 PWs) bands (ev): -25.0055 -25.0055 -7.8041 -7.8041 -6.7109 -6.7109 -6.6065 -6.6065 2.1043 2.1043 2.1437 2.1437 2.3391 2.3391 2.3678 2.3678 3.3060 3.3060 3.7869 3.7869 4.1346 4.1346 4.2534 4.2534 4.2782 4.2782 4.5128 4.5128 4.7097 4.7097 8.0873 8.0873 10.2604 10.2604 12.3994 12.3994 13.5070 13.5070 14.2543 14.2543 14.5256 14.5256 k = 0.1473 0.2551-0.0000 ( 2624 PWs) bands (ev): -25.0056 -25.0056 -7.8033 -7.8033 -6.7093 -6.7093 -6.6060 -6.6060 2.1017 2.1017 2.1526 2.1526 2.3416 2.3416 2.3674 2.3674 3.2714 3.2714 3.7809 3.7809 4.1394 4.1394 4.2497 4.2497 4.2652 4.2652 4.4894 4.4894 4.6992 4.6992 8.2132 8.2132 10.3472 10.3472 12.3688 12.3688 13.5127 13.5127 14.1814 14.1814 14.5507 14.5507 k = 0.1395 0.2417-0.0000 ( 2618 PWs) bands (ev): -25.0057 -25.0057 -7.8025 -7.8025 -6.7076 -6.7076 -6.6056 -6.6056 2.0980 2.0980 2.1613 2.1613 2.3449 2.3449 2.3673 2.3673 3.2358 3.2358 3.7768 3.7768 4.1434 4.1434 4.2412 4.2412 4.2593 4.2593 4.4663 4.4663 4.6901 4.6901 8.3415 8.3415 10.4278 10.4278 12.3421 12.3421 13.5200 13.5200 14.0829 14.0829 14.5821 14.5821 k = 0.1318 0.2283-0.0000 ( 2623 PWs) bands (ev): -25.0058 -25.0058 -7.8017 -7.8017 -6.7060 -6.7060 -6.6052 -6.6052 2.0932 2.0932 2.1697 2.1697 2.3488 2.3488 2.3676 2.3676 3.1998 3.1998 3.7745 3.7745 4.1460 4.1460 4.2311 4.2311 4.2575 4.2575 4.4438 4.4438 4.6819 4.6819 8.4720 8.4720 10.5017 10.5017 12.3197 12.3197 13.5271 13.5271 13.9655 13.9655 14.6199 14.6199 k = 0.1240 0.2148-0.0000 ( 2623 PWs) bands (ev): -25.0058 -25.0058 -7.8009 -7.8009 -6.7044 -6.7044 -6.6047 -6.6047 2.0873 2.0873 2.1776 2.1776 2.3529 2.3529 2.3685 2.3685 3.1641 3.1641 3.7737 3.7737 4.1469 4.1469 4.2223 4.2223 4.2570 4.2570 4.4218 4.4218 4.6747 4.6747 8.6046 8.6046 10.5684 10.5684 12.3016 12.3016 13.5283 13.5283 13.8405 13.8405 14.6641 14.6641 k = 0.1163 0.2014-0.0000 ( 2623 PWs) bands (ev): -25.0059 -25.0059 -7.8002 -7.8002 -6.7029 -6.7029 -6.6043 -6.6043 2.0805 2.0805 2.1852 2.1852 2.3566 2.3566 2.3708 2.3708 3.1291 3.1291 3.7745 3.7745 4.1457 4.1457 4.2156 4.2156 4.2571 4.2571 4.4005 4.4005 4.6682 4.6682 8.7394 8.7394 10.6277 10.6277 12.2877 12.2877 13.5040 13.5040 13.7326 13.7326 14.7148 14.7148 k = 0.1085 0.1880-0.0000 ( 2627 PWs) bands (ev): -25.0060 -25.0060 -7.7994 -7.7994 -6.7013 -6.7013 -6.6039 -6.6039 2.0728 2.0728 2.1924 2.1924 2.3590 2.3590 2.3749 2.3749 3.0954 3.0954 3.7766 3.7766 4.1422 4.1422 4.2110 4.2110 4.2577 4.2577 4.3801 4.3801 4.6623 4.6623 8.8761 8.8761 10.6795 10.6795 12.2779 12.2779 13.4171 13.4171 13.6826 13.6826 14.7722 14.7722 k = 0.1008 0.1745-0.0000 ( 2623 PWs) bands (ev): -25.0060 -25.0060 -7.7987 -7.7987 -6.6998 -6.6998 -6.6035 -6.6035 2.0645 2.0645 2.1992 2.1992 2.3603 2.3603 2.3806 2.3806 3.0633 3.0633 3.7798 3.7798 4.1365 4.1365 4.2081 4.2081 4.2586 4.2586 4.3609 4.3609 4.6568 4.6568 9.0148 9.0148 10.7241 10.7241 12.2718 12.2718 13.2791 13.2791 13.6814 13.6814 14.8361 14.8361 k = 0.0930 0.1611-0.0000 ( 2635 PWs) bands (ev): -25.0061 -25.0061 -7.7980 -7.7980 -6.6984 -6.6984 -6.6031 -6.6031 2.0557 2.0557 2.2056 2.2056 2.3609 2.3609 2.3873 2.3873 3.0332 3.0332 3.7841 3.7841 4.1293 4.1293 4.2065 4.2065 4.2597 4.2597 4.3432 4.3432 4.6518 4.6518 9.1553 9.1553 10.7617 10.7617 12.2689 12.2689 13.1217 13.1217 13.6987 13.6987 14.9064 14.9064 k = 0.0853 0.1477-0.0000 ( 2629 PWs) bands (ev): -25.0062 -25.0062 -7.7973 -7.7973 -6.6971 -6.6971 -6.6027 -6.6027 2.0466 2.0466 2.2116 2.2116 2.3613 2.3613 2.3944 2.3944 3.0051 3.0051 3.7893 3.7893 4.1208 4.1208 4.2054 4.2054 4.2607 4.2607 4.3272 4.3272 4.6471 4.6471 9.2974 9.2974 10.7931 10.7931 12.2688 12.2688 12.9569 12.9569 13.7237 13.7237 14.9828 14.9828 k = 0.0775 0.1343-0.0000 ( 2627 PWs) bands (ev): -25.0062 -25.0062 -7.7967 -7.7967 -6.6958 -6.6958 -6.6023 -6.6023 2.0374 2.0374 2.2172 2.2172 2.3615 2.3615 2.4016 2.4016 2.9793 2.9793 3.7952 3.7952 4.1115 4.1115 4.2047 4.2047 4.2609 4.2609 4.3138 4.3138 4.6427 4.6427 9.4409 9.4409 10.8189 10.8189 12.2707 12.2707 12.7888 12.7888 13.7526 13.7526 15.0643 15.0643 k = 0.0698 0.1208-0.0000 ( 2623 PWs) bands (ev): -25.0063 -25.0063 -7.7961 -7.7961 -6.6946 -6.6946 -6.6020 -6.6020 2.0283 2.0283 2.2224 2.2224 2.3616 2.3616 2.4086 2.4086 2.9559 2.9559 3.8017 3.8017 4.1018 4.1018 4.2041 4.2041 4.2594 4.2594 4.3037 4.3037 4.6387 4.6387 9.5857 9.5857 10.8400 10.8400 12.2741 12.2741 12.6193 12.6193 13.7838 13.7838 15.1502 15.1502 k = 0.0620 0.1074-0.0000 ( 2625 PWs) bands (ev): -25.0063 -25.0063 -7.7956 -7.7956 -6.6936 -6.6936 -6.6017 -6.6017 2.0195 2.0195 2.2271 2.2271 2.3617 2.3617 2.4154 2.4154 2.9349 2.9349 3.8086 3.8086 4.0917 4.0917 4.2034 4.2034 4.2555 4.2555 4.2977 4.2977 4.6349 4.6349 9.7312 9.7312 10.8575 10.8575 12.2781 12.2781 12.4498 12.4498 13.8161 13.8161 15.2388 15.2388 k = 0.0543 0.0940-0.0000 ( 2625 PWs) bands (ev): -25.0064 -25.0064 -7.7951 -7.7951 -6.6926 -6.6926 -6.6014 -6.6014 2.0112 2.0112 2.2313 2.2313 2.3617 2.3617 2.4218 2.4218 2.9164 2.9164 3.8158 3.8158 4.0817 4.0817 4.2027 4.2027 4.2495 4.2495 4.2954 4.2954 4.6316 4.6316 9.8768 9.8768 10.8726 10.8726 12.2683 12.2683 12.2950 12.2950 13.8486 13.8486 15.3277 15.3277 k = 0.0465 0.0806-0.0000 ( 2617 PWs) bands (ev): -25.0064 -25.0064 -7.7947 -7.7947 -6.6918 -6.6918 -6.6011 -6.6011 2.0037 2.0037 2.2351 2.2351 2.3618 2.3618 2.4275 2.4275 2.9003 2.9003 3.8230 3.8230 4.0718 4.0718 4.2019 4.2019 4.2426 4.2426 4.2954 4.2954 4.6285 4.6285 10.0216 10.0216 10.8866 10.8866 12.1097 12.1097 12.2901 12.2901 13.8801 13.8801 15.4135 15.4135 k = 0.0388 0.0671-0.0000 ( 2613 PWs) bands (ev): -25.0064 -25.0064 -7.7943 -7.7943 -6.6910 -6.6910 -6.6009 -6.6009 1.9970 1.9970 2.2383 2.2383 2.3618 2.3618 2.4326 2.4326 2.8867 2.8867 3.8300 3.8300 4.0625 4.0625 4.2011 4.2011 4.2361 4.2361 4.2964 4.2964 4.6259 4.6259 10.1637 10.1637 10.9017 10.9017 11.9435 11.9435 12.2943 12.2943 13.9096 13.9096 15.4891 15.4891 k = 0.0310 0.0537-0.0000 ( 2605 PWs) bands (ev): -25.0065 -25.0065 -7.7940 -7.7940 -6.6904 -6.6904 -6.6007 -6.6007 1.9913 1.9913 2.2410 2.2410 2.3619 2.3619 2.4369 2.4369 2.8756 2.8756 3.8365 3.8365 4.0541 4.0541 4.2003 4.2003 4.2306 4.2306 4.2978 4.2978 4.6237 4.6237 10.2999 10.2999 10.9209 10.9209 11.7795 11.7795 12.2983 12.2983 13.9361 13.9361 15.5428 15.5428 k = 0.0233 0.0403-0.0000 ( 2601 PWs) bands (ev): -25.0065 -25.0065 -7.7938 -7.7938 -6.6899 -6.6899 -6.6006 -6.6006 1.9867 1.9867 2.2431 2.2431 2.3619 2.3619 2.4403 2.4403 2.8669 2.8669 3.8421 3.8421 4.0469 4.0469 4.1996 4.1996 4.2262 4.2262 4.2991 4.2991 4.6219 4.6219 10.4238 10.4238 10.9501 10.9501 11.6191 11.6191 12.3016 12.3016 13.9582 13.9582 15.5657 15.5657 k = 0.0155 0.0269-0.0000 ( 2601 PWs) bands (ev): -25.0065 -25.0065 -7.7936 -7.7936 -6.6896 -6.6896 -6.6004 -6.6004 1.9834 1.9834 2.2446 2.2446 2.3619 2.3619 2.4428 2.4428 2.8608 2.8608 3.8464 3.8464 4.0414 4.0414 4.1989 4.1989 4.2231 4.2231 4.3002 4.3002 4.6207 4.6207 10.5248 10.5248 10.9984 10.9984 11.4643 11.4643 12.3041 12.3041 13.9750 13.9750 15.5705 15.5705 k = 0.0078 0.0134-0.0000 ( 2601 PWs) bands (ev): -25.0065 -25.0065 -7.7935 -7.7935 -6.6894 -6.6894 -6.6004 -6.6004 1.9814 1.9814 2.2455 2.2455 2.3619 2.3619 2.4443 2.4443 2.8570 2.8570 3.8492 3.8492 4.0379 4.0379 4.1985 4.1985 4.2212 4.2212 4.3009 4.3009 4.6199 4.6199 10.5898 10.5898 11.0758 11.0758 11.3183 11.3183 12.3056 12.3056 13.9854 13.9854 15.5702 15.5702 k = 0.0000 0.0000 0.0000 ( 2607 PWs) bands (ev): -25.0065 -25.0065 -7.7935 -7.7935 -6.6893 -6.6893 -6.6004 -6.6004 1.9807 1.9807 2.2458 2.2458 2.3619 2.3619 2.4449 2.4449 2.8558 2.8558 3.8502 3.8502 4.0367 4.0367 4.1983 4.1983 4.2206 4.2206 4.3011 4.3011 4.6196 4.6196 10.6118 10.6118 11.1713 11.1713 11.1997 11.1997 12.3061 12.3061 13.9890 13.9890 15.5696 15.5696 k = 0.0000 0.0000 0.0000 ( 2607 PWs) bands (ev): -25.0065 -25.0065 -7.7935 -7.7935 -6.6893 -6.6893 -6.6004 -6.6004 1.9807 1.9807 2.2458 2.2458 2.3619 2.3619 2.4449 2.4449 2.8558 2.8558 3.8502 3.8502 4.0367 4.0367 4.1983 4.1983 4.2206 4.2206 4.3011 4.3011 4.6196 4.6196 10.6118 10.6118 11.1713 11.1713 11.1997 11.1997 12.3061 12.3061 13.9890 13.9890 15.5696 15.5696 k = 0.0000 0.0000 0.0155 ( 2601 PWs) bands (ev): -25.0065 -25.0065 -7.7936 -7.7936 -6.6893 -6.6893 -6.6007 -6.6007 1.9810 1.9810 2.2458 2.2458 2.3618 2.3618 2.4447 2.4447 2.8573 2.8573 3.8502 3.8502 4.0363 4.0363 4.1986 4.1986 4.2205 4.2205 4.3015 4.3015 4.6196 4.6196 10.6137 10.6137 11.1735 11.1735 11.2007 11.2007 12.3062 12.3062 13.9765 13.9765 15.5327 15.5328 k = 0.0000 0.0000 0.0311 ( 2601 PWs) bands (ev): -25.0064 -25.0064 -7.7938 -7.7938 -6.6891 -6.6891 -6.6018 -6.6018 1.9820 1.9820 2.2458 2.2458 2.3615 2.3615 2.4442 2.4442 2.8618 2.8618 3.8504 3.8504 4.0351 4.0351 4.1994 4.1994 4.2201 4.2201 4.3028 4.3028 4.6195 4.6195 10.6196 10.6196 11.1800 11.1800 11.2037 11.2037 12.3062 12.3062 13.9402 13.9402 15.4532 15.4532 k = 0.0000 0.0000 0.0466 ( 2601 PWs) bands (ev): -25.0063 -25.0063 -7.7943 -7.7943 -6.6888 -6.6888 -6.6035 -6.6035 1.9836 1.9836 2.2459 2.2459 2.3610 2.3610 2.4434 2.4434 2.8692 2.8692 3.8507 3.8507 4.0330 4.0330 4.2008 4.2008 4.2194 4.2194 4.3048 4.3048 4.6193 4.6193 10.6293 10.6293 11.1908 11.1908 11.2088 11.2088 12.3053 12.3053 13.8833 13.8833 15.3589 15.3589 k = 0.0000 0.0000 0.0621 ( 2607 PWs) bands (ev): -25.0061 -25.0061 -7.7949 -7.7949 -6.6884 -6.6884 -6.6060 -6.6060 1.9859 1.9859 2.2460 2.2460 2.3603 2.3603 2.4422 2.4422 2.8795 2.8795 3.8510 3.8510 4.0302 4.0302 4.2027 4.2027 4.2187 4.2187 4.3076 4.3076 4.6190 4.6190 10.6428 10.6428 11.2059 11.2059 11.2160 11.2160 12.3022 12.3022 13.8106 13.8106 15.2587 15.2587 k = 0.0000 0.0000 0.0777 ( 2607 PWs) bands (ev): -25.0058 -25.0058 -7.7957 -7.7957 -6.6879 -6.6879 -6.6090 -6.6090 1.9887 1.9887 2.2461 2.2461 2.3594 2.3594 2.4408 2.4408 2.8928 2.8928 3.8515 3.8515 4.0265 4.0265 4.2048 4.2048 4.2179 4.2179 4.3113 4.3113 4.6187 4.6187 10.6601 10.6601 11.2252 11.2252 11.2253 11.2253 12.2948 12.2948 13.7278 13.7278 15.1564 15.1564 k = 0.0000 0.0000 0.0932 ( 2631 PWs) bands (ev): -25.0055 -25.0055 -7.7966 -7.7966 -6.6873 -6.6873 -6.6128 -6.6128 1.9921 1.9921 2.2462 2.2462 2.3583 2.3583 2.4390 2.4390 2.9089 2.9089 3.8521 3.8521 4.0222 4.0222 4.2068 4.2068 4.2178 4.2178 4.3157 4.3157 4.6183 4.6183 10.6813 10.6813 11.2366 11.2366 11.2490 11.2490 12.2800 12.2800 13.6416 13.6416 15.0539 15.0539 k = 0.0000 0.0000 0.1088 ( 2631 PWs) bands (ev): -25.0052 -25.0052 -7.7978 -7.7978 -6.6866 -6.6866 -6.6171 -6.6171 1.9960 1.9960 2.2464 2.2464 2.3570 2.3570 2.4369 2.4369 2.9278 2.9278 3.8528 3.8528 4.0171 4.0171 4.2076 4.2076 4.2193 4.2193 4.3209 4.3209 4.6179 4.6179 10.7061 10.7061 11.2500 11.2500 11.2768 11.2768 12.2540 12.2540 13.5590 13.5590 14.9525 14.9526 k = 0.0000 0.0000 0.1243 ( 2631 PWs) bands (ev): -25.0048 -25.0048 -7.7991 -7.7991 -6.6857 -6.6857 -6.6220 -6.6220 2.0004 2.0004 2.2466 2.2466 2.3555 2.3555 2.4345 2.4345 2.9495 2.9495 3.8536 3.8536 4.0113 4.0113 4.2068 4.2068 4.2230 4.2230 4.3269 4.3269 4.6173 4.6173 10.7347 10.7347 11.2656 11.2656 11.3089 11.3089 12.2126 12.2126 13.4871 13.4871 14.8531 14.8531 k = 0.0000 0.0000 0.1398 ( 2643 PWs) bands (ev): -25.0044 -25.0044 -7.8006 -7.8006 -6.6848 -6.6848 -6.6274 -6.6274 2.0052 2.0052 2.2468 2.2468 2.3538 2.3538 2.4319 2.4319 2.9738 2.9738 3.8545 3.8545 4.0049 4.0049 4.2049 4.2049 4.2284 4.2284 4.3337 4.3337 4.6167 4.6167 10.7668 10.7668 11.2834 11.2834 11.3450 11.3450 12.1517 12.1517 13.4322 13.4322 14.7561 14.7561 k = 0.0000 0.0000 0.1554 ( 2631 PWs) bands (ev): -25.0039 -25.0039 -7.8022 -7.8022 -6.6838 -6.6838 -6.6334 -6.6334 2.0104 2.0104 2.2470 2.2470 2.3519 2.3519 2.4290 2.4290 3.0007 3.0007 3.8555 3.8555 3.9980 3.9980 4.2023 4.2023 4.2352 4.2352 4.3412 4.3412 4.6161 4.6161 10.8025 10.8025 11.3035 11.3035 11.3852 11.3852 12.0691 12.0691 13.3984 13.3984 14.6617 14.6618 k = 0.0000 0.0000 0.1709 ( 2625 PWs) bands (ev): -25.0034 -25.0034 -7.8040 -7.8040 -6.6827 -6.6827 -6.6397 -6.6397 2.0160 2.0160 2.2473 2.2473 2.3497 2.3497 2.4259 2.4259 3.0300 3.0300 3.8566 3.8566 3.9905 3.9905 4.1994 4.1994 4.2433 4.2433 4.3494 4.3494 4.6153 4.6153 10.8417 10.8417 11.3258 11.3258 11.4294 11.4294 11.9649 11.9649 13.3871 13.3871 14.5703 14.5703 k = 0.0000 0.0000 0.1864 ( 2619 PWs) bands (ev): -25.0028 -25.0028 -7.8060 -7.8060 -6.6816 -6.6816 -6.6465 -6.6465 2.0218 2.0218 2.2476 2.2476 2.3474 2.3474 2.4225 2.4225 3.0616 3.0616 3.8578 3.8578 3.9825 3.9825 4.1961 4.1961 4.2527 4.2527 4.3583 4.3583 4.6146 4.6146 10.8842 10.8842 11.3506 11.3506 11.4775 11.4775 11.8414 11.8414 13.3972 13.3972 14.4819 14.4819 k = 0.0000 0.0000 0.2020 ( 2631 PWs) bands (ev): -25.0023 -25.0023 -7.8081 -7.8081 -6.6803 -6.6803 -6.6536 -6.6536 2.0278 2.0278 2.2479 2.2479 2.3449 2.3449 2.4189 2.4189 3.0952 3.0952 3.8590 3.8590 3.9741 3.9741 4.1926 4.1926 4.2636 4.2636 4.3678 4.3678 4.6137 4.6137 10.9299 10.9299 11.3777 11.3777 11.5295 11.5295 11.7020 11.7020 13.4263 13.4263 14.3967 14.3967 k = 0.0000 0.0000 0.2175 ( 2631 PWs) bands (ev): -25.0017 -25.0017 -7.8104 -7.8104 -6.6790 -6.6790 -6.6609 -6.6609 2.0340 2.0340 2.2482 2.2482 2.3422 2.3422 2.4151 2.4151 3.1307 3.1307 3.8604 3.8604 3.9653 3.9653 4.1888 4.1888 4.2760 4.2760 4.3780 4.3780 4.6128 4.6128 10.9788 10.9788 11.4073 11.4073 11.5504 11.5504 11.5853 11.5853 13.4714 13.4714 14.3148 14.3148 k = 0.0000 0.0000 0.2330 ( 2631 PWs) bands (ev): -25.0010 -25.0010 -7.8128 -7.8128 -6.6777 -6.6777 -6.6685 -6.6685 2.0403 2.0403 2.2486 2.2486 2.3393 2.3393 2.4111 2.4111 3.1677 3.1677 3.8618 3.8618 3.9562 3.9562 4.1848 4.1848 4.2903 4.2903 4.3887 4.3887 4.6119 4.6119 11.0306 11.0306 11.3898 11.3898 11.4395 11.4395 11.6448 11.6448 13.5298 13.5298 14.2321 14.2321 k = 0.0000 0.0000 0.2486 ( 2631 PWs) bands (ev): -25.0004 -25.0004 -7.8153 -7.8153 -6.6763 -6.6763 -6.6763 -6.6763 2.0468 2.0468 2.2489 2.2489 2.3363 2.3363 2.4070 2.4070 3.2061 3.2061 3.8632 3.8632 3.9469 3.9469 4.1807 4.1807 4.3065 4.3065 4.4000 4.4000 4.6109 4.6109 11.0853 11.0853 11.2226 11.2226 11.4743 11.4743 11.7079 11.7079 13.5991 13.5991 14.1509 14.1509 k = 0.0000 0.0000 0.2641 ( 2631 PWs) bands (ev): -24.9997 -24.9997 -7.8180 -7.8180 -6.6842 -6.6842 -6.6748 -6.6748 2.0533 2.0533 2.2493 2.2493 2.3331 2.3331 2.4028 2.4028 3.2455 3.2455 3.8648 3.8648 3.9373 3.9373 4.1764 4.1764 4.3250 4.3250 4.4117 4.4117 4.6098 4.6098 11.0510 11.0510 11.1427 11.1427 11.5120 11.5120 11.7746 11.7746 13.6762 13.6762 14.0725 14.0725 k = 0.0000 0.0000 0.2797 ( 2655 PWs) bands (ev): -24.9990 -24.9990 -7.8207 -7.8207 -6.6922 -6.6922 -6.6733 -6.6733 2.0597 2.0597 2.2498 2.2498 2.3297 2.3297 2.3985 2.3985 3.2854 3.2854 3.8663 3.8663 3.9277 3.9277 4.1720 4.1720 4.3461 4.3461 4.4239 4.4239 4.6088 4.6088 10.8766 10.8766 11.2025 11.2025 11.5525 11.5525 11.8447 11.8447 13.7556 13.7556 13.9969 13.9969 k = 0.0000 0.0000 0.2952 ( 2655 PWs) bands (ev): -24.9983 -24.9983 -7.8236 -7.8236 -6.7002 -6.7002 -6.6718 -6.6718 2.0662 2.0662 2.2502 2.2502 2.3263 2.3263 2.3940 2.3940 3.3256 3.3256 3.8679 3.8679 3.9180 3.9180 4.1675 4.1675 4.3700 4.3700 4.4364 4.4364 4.6077 4.6077 10.7005 10.7005 11.2646 11.2646 11.5960 11.5960 11.9183 11.9183 13.8181 13.8181 13.9243 13.9243 k = 0.0000 0.0000 0.3107 ( 2625 PWs) bands (ev): -24.9976 -24.9976 -7.8265 -7.8265 -6.7082 -6.7082 -6.6703 -6.6703 2.0726 2.0726 2.2507 2.2507 2.3228 2.3228 2.3895 2.3895 3.3655 3.3655 3.8695 3.8695 3.9082 3.9082 4.1630 4.1630 4.3970 4.3970 4.4493 4.4493 4.6065 4.6065 10.5237 10.5237 11.3287 11.3287 11.6426 11.6426 11.9951 11.9951 13.8212 13.8212 13.8547 13.8547 k = 0.0000 0.0000 0.3263 ( 2625 PWs) bands (ev): -24.9968 -24.9968 -7.8295 -7.8295 -6.7161 -6.7161 -6.6688 -6.6688 2.0789 2.0789 2.2512 2.2512 2.3192 2.3192 2.3850 2.3850 3.4048 3.4048 3.8711 3.8711 3.8985 3.8985 4.1584 4.1584 4.4274 4.4274 4.4623 4.4623 4.6054 4.6054 10.3472 10.3472 11.3945 11.3945 11.6925 11.6925 12.0752 12.0752 13.7805 13.7805 13.7880 13.7880 k = 0.0000 0.0000 0.3418 ( 2625 PWs) bands (ev): -24.9961 -24.9961 -7.8326 -7.8326 -6.7238 -6.7238 -6.6673 -6.6673 2.0850 2.0850 2.2517 2.2517 2.3155 2.3155 2.3805 2.3805 3.4430 3.4430 3.8727 3.8727 3.8889 3.8889 4.1538 4.1538 4.4615 4.4615 4.4756 4.4756 4.6043 4.6043 10.1716 10.1716 11.4618 11.4618 11.7458 11.7458 12.1584 12.1584 13.7244 13.7244 13.7295 13.7295 k = 0.0000 0.0000 0.3573 ( 2625 PWs) bands (ev): -24.9954 -24.9954 -7.8357 -7.8357 -6.7314 -6.7314 -6.6658 -6.6658 2.0910 2.0910 2.2523 2.2523 2.3118 2.3118 2.3759 2.3759 3.4797 3.4797 3.8743 3.8743 3.8795 3.8795 4.1492 4.1492 4.4888 4.4888 4.4995 4.4995 4.6031 4.6031 9.9975 9.9975 11.5303 11.5303 11.8024 11.8024 12.2446 12.2446 13.6639 13.6639 13.6772 13.6772 k = 0.0000 0.0000 0.3729 ( 2631 PWs) bands (ev): -24.9947 -24.9947 -7.8388 -7.8388 -6.7388 -6.7388 -6.6643 -6.6643 2.0968 2.0968 2.2528 2.2528 2.3082 2.3082 2.3714 2.3714 3.5146 3.5146 3.8702 3.8702 3.8759 3.8759 4.1446 4.1446 4.5021 4.5021 4.5416 4.5416 4.6020 4.6020 9.8255 9.8255 11.5998 11.5998 11.8626 11.8626 12.3337 12.3337 13.6066 13.6066 13.6263 13.6263 k = 0.0000 0.0000 0.3884 ( 2631 PWs) bands (ev): -24.9941 -24.9941 -7.8419 -7.8419 -6.7460 -6.7460 -6.6628 -6.6628 2.1025 2.1025 2.2534 2.2534 2.3045 2.3045 2.3670 2.3670 3.5473 3.5473 3.8613 3.8613 3.8774 3.8774 4.1401 4.1401 4.5153 4.5153 4.5878 4.5878 4.6009 4.6009 9.6561 9.6561 11.6700 11.6700 11.9261 11.9261 12.4256 12.4256 13.5525 13.5525 13.5775 13.5775 k = 0.0000 0.0000 0.4039 ( 2631 PWs) bands (ev): -24.9934 -24.9934 -7.8450 -7.8450 -6.7528 -6.7528 -6.6614 -6.6614 2.1078 2.1078 2.2540 2.2540 2.3009 2.3009 2.3627 2.3627 3.5776 3.5776 3.8526 3.8526 3.8789 3.8789 4.1357 4.1357 4.5282 4.5282 4.5998 4.5998 4.6380 4.6380 9.4898 9.4898 11.7407 11.7407 11.9927 11.9927 12.5203 12.5203 13.5016 13.5016 13.5312 13.5312 k = 0.0000 0.0000 0.4195 ( 2631 PWs) bands (ev): -24.9928 -24.9928 -7.8480 -7.8480 -6.7594 -6.7594 -6.6600 -6.6600 2.1129 2.1129 2.2547 2.2547 2.2974 2.2974 2.3584 2.3584 3.6054 3.6054 3.8442 3.8442 3.8803 3.8803 4.1314 4.1314 4.5409 4.5409 4.5988 4.5988 4.6920 4.6920 9.3272 9.3272 11.8120 11.8120 12.0622 12.0622 12.6174 12.6174 13.4542 13.4542 13.4876 13.4876 k = 0.0000 0.0000 0.4350 ( 2625 PWs) bands (ev): -24.9921 -24.9921 -7.8509 -7.8509 -6.7656 -6.7656 -6.6587 -6.6587 2.1178 2.1178 2.2553 2.2553 2.2940 2.2940 2.3543 2.3543 3.6307 3.6307 3.8363 3.8363 3.8817 3.8817 4.1272 4.1272 4.5532 4.5532 4.5977 4.5977 4.7495 4.7495 9.1688 9.1688 11.8836 11.8836 12.1341 12.1341 12.7169 12.7169 13.4102 13.4102 13.4469 13.4469 k = 0.0000 0.0000 0.4506 ( 2619 PWs) bands (ev): -24.9916 -24.9916 -7.8537 -7.8537 -6.7714 -6.7714 -6.6575 -6.6575 2.1224 2.1224 2.2560 2.2560 2.2907 2.2907 2.3503 2.3503 3.6534 3.6534 3.8288 3.8288 3.8830 3.8830 4.1233 4.1233 4.5650 4.5650 4.5968 4.5968 4.8099 4.8099 9.0152 9.0152 11.9557 11.9557 12.2076 12.2076 12.8184 12.8184 13.3701 13.3701 13.4090 13.4090 k = 0.0000 0.0000 0.4661 ( 2619 PWs) bands (ev): -24.9910 -24.9910 -7.8564 -7.8564 -6.7768 -6.7768 -6.6563 -6.6563 2.1266 2.1266 2.2567 2.2567 2.2875 2.2875 2.3465 2.3465 3.6737 3.6737 3.8217 3.8217 3.8842 3.8842 4.1195 4.1195 4.5763 4.5763 4.5958 4.5958 4.8727 4.8727 8.8670 8.8670 12.0281 12.0281 12.2819 12.2819 12.9213 12.9213 13.3343 13.3343 13.3741 13.3741 k = 0.0000 0.0000 0.4816 ( 2602 PWs) bands (ev): -24.9905 -24.9905 -7.8590 -7.8590 -6.7818 -6.7818 -6.6552 -6.6552 2.1305 2.1305 2.2573 2.2573 2.2846 2.2846 2.3430 2.3430 3.6916 3.6916 3.8152 3.8152 3.8853 3.8853 4.1159 4.1159 4.5869 4.5869 4.5950 4.5950 4.9371 4.9371 8.7251 8.7251 12.1007 12.1007 12.3561 12.3561 13.0238 13.0238 13.3044 13.3045 13.3422 13.3422 k = 0.0000 0.0000 0.4972 ( 2602 PWs) bands (ev): -24.9900 -24.9900 -7.8614 -7.8614 -6.7864 -6.7864 -6.6542 -6.6542 2.1341 2.1341 2.2580 2.2580 2.2819 2.2819 2.3396 2.3396 3.7073 3.7073 3.8091 3.8091 3.8864 3.8864 4.1126 4.1126 4.5942 4.5942 4.5968 4.5968 5.0021 5.0021 8.5904 8.5904 12.1735 12.1735 12.4289 12.4289 13.1194 13.1194 13.2872 13.2872 13.3133 13.3133 k = 0.0000 0.0000 0.5127 ( 2590 PWs) bands (ev): -24.9896 -24.9896 -7.8636 -7.8636 -6.7906 -6.7906 -6.6532 -6.6532 2.1374 2.1374 2.2586 2.2586 2.2793 2.2793 2.3365 2.3365 3.7208 3.7208 3.8037 3.8037 3.8873 3.8873 4.1096 4.1096 4.5934 4.5934 4.6059 4.6059 5.0666 5.0666 8.4637 8.4637 12.2461 12.2461 12.4987 12.4987 13.1783 13.1783 13.2874 13.2874 13.3120 13.3120 k = 0.0000 0.0000 0.5282 ( 2584 PWs) bands (ev): -24.9892 -24.9892 -7.8656 -7.8656 -6.7942 -6.7942 -6.6524 -6.6524 2.1403 2.1403 2.2592 2.2592 2.2771 2.2771 2.3337 2.3337 3.7325 3.7325 3.7988 3.7988 3.8882 3.8882 4.1069 4.1069 4.5928 4.5928 4.6141 4.6141 5.1294 5.1294 8.3464 8.3464 12.3180 12.3180 12.5640 12.5640 13.1813 13.1813 13.2645 13.2645 13.3981 13.3981 k = 0.0000 0.0000 0.5438 ( 2590 PWs) bands (ev): -24.9888 -24.9888 -7.8674 -7.8674 -6.7975 -6.7975 -6.6517 -6.6517 2.1428 2.1428 2.2598 2.2598 2.2751 2.2751 2.3312 2.3312 3.7422 3.7422 3.7945 3.7945 3.8889 3.8889 4.1045 4.1045 4.5922 4.5922 4.6214 4.6214 5.1891 5.1891 8.2397 8.2397 12.3887 12.3887 12.6225 12.6225 13.1679 13.1679 13.2447 13.2447 13.5058 13.5058 k = 0.0000 0.0000 0.5593 ( 2590 PWs) bands (ev): -24.9886 -24.9886 -7.8689 -7.8689 -6.8002 -6.8002 -6.6511 -6.6511 2.1449 2.1449 2.2604 2.2604 2.2734 2.2734 2.3290 2.3290 3.7503 3.7503 3.7908 3.7908 3.8895 3.8895 4.1024 4.1024 4.5917 4.5917 4.6276 4.6276 5.2439 5.2439 8.1452 8.1452 12.4572 12.4572 12.6721 12.6721 13.1529 13.1529 13.2278 13.2278 13.6202 13.6202 k = 0.0000 0.0000 0.5748 ( 2590 PWs) bands (ev): -24.9883 -24.9883 -7.8701 -7.8701 -6.8024 -6.8024 -6.6505 -6.6505 2.1467 2.1467 2.2608 2.2608 2.2719 2.2719 2.3272 2.3272 3.7568 3.7568 3.7878 3.7878 3.8901 3.8901 4.1007 4.1007 4.5913 4.5913 4.6328 4.6328 5.2923 5.2923 8.0644 8.0644 12.5224 12.5224 12.7105 12.7105 13.1396 13.1396 13.2141 13.2141 13.7375 13.7375 k = 0.0000 0.0000 0.5904 ( 2602 PWs) bands (ev): -24.9881 -24.9881 -7.8711 -7.8711 -6.8042 -6.8042 -6.6501 -6.6501 2.1481 2.1481 2.2612 2.2612 2.2708 2.2708 2.3257 2.3257 3.7618 3.7618 3.7855 3.7855 3.8905 3.8905 4.0993 4.0993 4.5909 4.5909 4.6369 4.6369 5.3324 5.3324 7.9993 7.9993 12.5827 12.5827 12.7354 12.7354 13.1289 13.1289 13.2034 13.2034 13.8564 13.8564 k = 0.0000 0.0000 0.6059 ( 2608 PWs) bands (ev): -24.9880 -24.9880 -7.8719 -7.8719 -6.8054 -6.8054 -6.6498 -6.6498 2.1491 2.1491 2.2615 2.2615 2.2700 2.2700 2.3247 2.3247 3.7653 3.7653 3.7838 3.7838 3.8908 3.8908 4.0984 4.0984 4.5907 4.5907 4.6398 4.6398 5.3625 5.3625 7.9513 7.9513 12.6361 12.6361 12.7456 12.7456 13.1211 13.1211 13.1957 13.1957 13.9750 13.9750 k = 0.0000 0.0000 0.6215 ( 2608 PWs) bands (ev): -24.9879 -24.9879 -7.8723 -7.8723 -6.8062 -6.8062 -6.6497 -6.6497 2.1497 2.1497 2.2616 2.2616 2.2695 2.2695 2.3240 2.3240 3.7673 3.7673 3.7828 3.7828 3.8909 3.8909 4.0978 4.0978 4.5906 4.5906 4.6416 4.6416 5.3812 5.3812 7.9219 7.9219 12.6797 12.6797 12.7414 12.7414 13.1163 13.1163 13.1911 13.1911 14.0868 14.0868 k = 0.0000 0.0000 0.6370 ( 2608 PWs) bands (ev): -24.9879 -24.9879 -7.8724 -7.8724 -6.8064 -6.8064 -6.6496 -6.6496 2.1499 2.1499 2.2617 2.2617 2.2693 2.2693 2.3238 2.3238 3.7680 3.7680 3.7824 3.7824 3.8910 3.8910 4.0976 4.0976 4.5905 4.5905 4.6422 4.6422 5.3875 5.3875 7.9119 7.9119 12.7030 12.7030 12.7313 12.7313 13.1147 13.1147 13.1896 13.1896 14.1512 14.1512 k = 0.0000 0.0000 0.6370 ( 2608 PWs) bands (ev): -24.9879 -24.9879 -7.8724 -7.8724 -6.8064 -6.8064 -6.6496 -6.6496 2.1499 2.1499 2.2617 2.2617 2.2693 2.2693 2.3238 2.3238 3.7680 3.7680 3.7824 3.7824 3.8910 3.8910 4.0976 4.0976 4.5905 4.5905 4.6422 4.6422 5.3875 5.3875 7.9119 7.9119 12.7030 12.7030 12.7313 12.7313 13.1147 13.1147 13.1896 13.1896 14.1512 14.1512 k = 0.0135 0.0078 0.6370 ( 2608 PWs) bands (ev): -24.9879 -24.9879 -7.8725 -7.8725 -6.8064 -6.8064 -6.6497 -6.6497 2.1493 2.1493 2.2613 2.2613 2.2696 2.2696 2.3242 2.3242 3.7674 3.7674 3.7802 3.7802 3.8943 3.8943 4.0989 4.0989 4.5900 4.5900 4.6424 4.6424 5.3880 5.3880 7.9148 7.9148 12.5785 12.5785 12.7991 12.7991 13.1580 13.1580 13.1708 13.1708 14.1860 14.1860 k = 0.0270 0.0156 0.6370 ( 2600 PWs) bands (ev): -24.9879 -24.9879 -7.8725 -7.8725 -6.8064 -6.8064 -6.6498 -6.6498 2.1477 2.1477 2.2601 2.2601 2.2702 2.2702 2.3253 2.3253 3.7649 3.7649 3.7752 3.7752 3.9034 3.9034 4.1028 4.1028 4.5885 4.5885 4.6430 4.6430 5.3892 5.3892 7.9235 7.9235 12.4124 12.4124 12.8128 12.8128 13.1268 13.1268 13.2657 13.2657 14.2009 14.2009 k = 0.0405 0.0234 0.6370 ( 2600 PWs) bands (ev): -24.9879 -24.9879 -7.8725 -7.8725 -6.8064 -6.8064 -6.6501 -6.6501 2.1450 2.1450 2.2583 2.2583 2.2712 2.2712 2.3271 2.3271 3.7584 3.7584 3.7710 3.7710 3.9168 3.9168 4.1091 4.1091 4.5861 4.5861 4.6440 4.6440 5.3913 5.3913 7.9380 7.9380 12.2327 12.2327 12.7741 12.7741 13.0858 13.0858 13.3932 13.3932 14.1216 14.1216 k = 0.0541 0.0312 0.6370 ( 2602 PWs) bands (ev): -24.9878 -24.9878 -7.8726 -7.8726 -6.8064 -6.8064 -6.6504 -6.6504 2.1414 2.1414 2.2557 2.2557 2.2725 2.2725 2.3294 2.3294 3.7481 3.7481 3.7687 3.7687 3.9331 3.9331 4.1178 4.1178 4.5830 4.5830 4.6452 4.6452 5.3943 5.3943 7.9581 7.9581 12.0460 12.0460 12.6953 12.6953 13.0641 13.0641 13.5062 13.5062 14.0523 14.0523 k = 0.0676 0.0390 0.6370 ( 2594 PWs) bands (ev): -24.9878 -24.9878 -7.8726 -7.8726 -6.8063 -6.8063 -6.6509 -6.6509 2.1371 2.1371 2.2525 2.2525 2.2742 2.2742 2.3321 2.3321 3.7364 3.7364 3.7672 3.7672 3.9515 3.9515 4.1286 4.1286 4.5793 4.5793 4.6467 4.6467 5.3982 5.3982 7.9837 7.9837 11.8556 11.8556 12.5915 12.5915 13.0597 13.0597 13.5648 13.5648 14.0345 14.0345 k = 0.0811 0.0468 0.6370 ( 2594 PWs) bands (ev): -24.9878 -24.9878 -7.8727 -7.8727 -6.8063 -6.8063 -6.6515 -6.6515 2.1321 2.1321 2.2488 2.2488 2.2761 2.2761 2.3351 2.3351 3.7241 3.7241 3.7660 3.7660 3.9713 3.9713 4.1412 4.1412 4.5752 4.5752 4.6483 4.6483 5.4031 5.4031 8.0148 8.0148 11.6634 11.6634 12.4755 12.4755 13.0661 13.0661 13.5411 13.5411 14.0973 14.0973 k = 0.0946 0.0546 0.6370 ( 2594 PWs) bands (ev): -24.9878 -24.9878 -7.8728 -7.8728 -6.8063 -6.8063 -6.6521 -6.6521 2.1267 2.1267 2.2444 2.2444 2.2783 2.2783 2.3383 2.3383 3.7116 3.7116 3.7651 3.7651 3.9923 3.9923 4.1555 4.1555 4.5708 4.5708 4.6501 4.6501 5.4091 5.4091 8.0511 8.0511 11.4706 11.4706 12.3541 12.3541 13.0790 13.0790 13.4627 13.4627 14.2140 14.2140 k = 0.1081 0.0624 0.6370 ( 2590 PWs) bands (ev): -24.9877 -24.9877 -7.8729 -7.8729 -6.8062 -6.8062 -6.6529 -6.6529 2.1210 2.1210 2.2396 2.2396 2.2808 2.2808 2.3416 2.3416 3.6990 3.6990 3.7648 3.7648 4.0141 4.0141 4.1710 4.1710 4.5664 4.5664 4.6520 4.6520 5.4162 5.4162 8.0924 8.0924 11.2781 11.2781 12.2312 12.2312 13.0954 13.0954 13.3633 13.3633 14.3479 14.3479 k = 0.1216 0.0702 0.6370 ( 2594 PWs) bands (ev): -24.9877 -24.9877 -7.8730 -7.8730 -6.8062 -6.8062 -6.6537 -6.6537 2.1152 2.1152 2.2343 2.2343 2.2836 2.2836 2.3449 2.3449 3.6866 3.6866 3.7649 3.7649 4.0365 4.0365 4.1876 4.1876 4.5620 4.5620 4.6541 4.6541 5.4245 5.4245 8.1386 8.1386 11.0867 11.0867 12.1085 12.1085 13.1093 13.1093 13.2619 13.2619 14.4017 14.4017 k = 0.1351 0.0780 0.6370 ( 2594 PWs) bands (ev): -24.9877 -24.9877 -7.8731 -7.8731 -6.8061 -6.8061 -6.6546 -6.6546 2.1093 2.1093 2.2285 2.2285 2.2866 2.2866 2.3480 2.3480 3.6742 3.6742 3.7657 3.7657 4.0595 4.0595 4.2049 4.2049 4.5581 4.5581 4.6563 4.6563 5.4341 5.4341 8.1894 8.1894 10.8968 10.8968 11.9870 11.9870 13.0869 13.0869 13.1973 13.1973 14.4266 14.4266 k = 0.1486 0.0858 0.6370 ( 2598 PWs) bands (ev): -24.9876 -24.9876 -7.8732 -7.8732 -6.8060 -6.8060 -6.6556 -6.6556 2.1034 2.1034 2.2225 2.2225 2.2897 2.2897 2.3510 2.3510 3.6620 3.6620 3.7672 3.7672 4.0828 4.0828 4.2225 4.2225 4.5546 4.5546 4.6587 4.6587 5.4451 5.4451 8.2447 8.2447 10.7090 10.7090 11.8676 11.8676 12.9959 12.9959 13.2041 13.2041 14.4525 14.4525 k = 0.1622 0.0936 0.6370 ( 2598 PWs) bands (ev): -24.9876 -24.9876 -7.8734 -7.8734 -6.8060 -6.8060 -6.6566 -6.6566 2.0977 2.0977 2.2161 2.2161 2.2930 2.2930 2.3537 2.3537 3.6500 3.6500 3.7695 3.7695 4.1063 4.1063 4.2401 4.2401 4.5520 4.5520 4.6613 4.6613 5.4575 5.4575 8.3040 8.3040 10.5236 10.5236 11.7505 11.7505 12.8869 12.8869 13.2326 13.2326 14.4804 14.4804 k = 0.1757 0.1014 0.6370 ( 2596 PWs) bands (ev): -24.9876 -24.9876 -7.8735 -7.8735 -6.8059 -6.8059 -6.6577 -6.6577 2.0923 2.0923 2.2095 2.2095 2.2965 2.2965 2.3562 2.3562 3.6381 3.6381 3.7724 3.7724 4.1298 4.1298 4.2574 4.2574 4.5505 4.5505 4.6642 4.6642 5.4716 5.4716 8.3673 8.3673 10.3410 10.3410 11.6361 11.6361 12.7755 12.7755 13.2677 13.2677 14.5105 14.5105 k = 0.1892 0.1092 0.6370 ( 2604 PWs) bands (ev): -24.9875 -24.9875 -7.8737 -7.8737 -6.8058 -6.8058 -6.6588 -6.6588 2.0872 2.0872 2.2027 2.2027 2.2999 2.2999 2.3584 2.3584 3.6264 3.6264 3.7761 3.7761 4.1532 4.1532 4.2738 4.2738 4.5504 4.5504 4.6673 4.6673 5.4873 5.4873 8.4343 8.4343 10.1614 10.1614 11.5246 11.5246 12.6646 12.6646 13.3069 13.3069 14.5426 14.5426 k = 0.2027 0.1170 0.6370 ( 2606 PWs) bands (ev): -24.9875 -24.9875 -7.8739 -7.8739 -6.8058 -6.8058 -6.6600 -6.6600 2.0824 2.0824 2.1957 2.1957 2.3035 2.3035 2.3603 2.3603 3.6148 3.6148 3.7805 3.7805 4.1763 4.1763 4.2891 4.2891 4.5520 4.5520 4.6708 4.6708 5.5048 5.5048 8.5046 8.5046 9.9850 9.9850 11.4162 11.4162 12.5551 12.5551 13.3493 13.3493 14.5767 14.5767 k = 0.2162 0.1248 0.6370 ( 2610 PWs) bands (ev): -24.9874 -24.9874 -7.8740 -7.8740 -6.8057 -6.8057 -6.6612 -6.6612 2.0781 2.0781 2.1887 2.1887 2.3069 2.3069 2.3620 2.3620 3.6035 3.6035 3.7856 3.7856 4.1990 4.1990 4.3027 4.3027 4.5555 4.5555 4.6746 4.6746 5.5241 5.5241 8.5780 8.5780 9.8123 9.8123 11.3110 11.3110 12.4474 12.4474 13.3945 13.3945 14.6127 14.6127 k = 0.2297 0.1326 0.6370 ( 2606 PWs) bands (ev): -24.9874 -24.9874 -7.8742 -7.8742 -6.8057 -6.8057 -6.6624 -6.6624 2.0742 2.0742 2.1816 2.1816 2.3103 2.3103 2.3634 2.3634 3.5925 3.5925 3.7913 3.7913 4.2210 4.2210 4.3146 4.3146 4.5612 4.5612 4.6788 4.6788 5.5454 5.5454 8.6541 8.6541 9.6433 9.6433 11.2094 11.2094 12.3418 12.3418 13.4423 13.4423 14.6505 14.6505 k = 0.2432 0.1404 0.6370 ( 2610 PWs) bands (ev): -24.9873 -24.9873 -7.8744 -7.8744 -6.8056 -6.8056 -6.6636 -6.6636 2.0708 2.0708 2.1746 2.1746 2.3135 2.3135 2.3646 2.3646 3.5817 3.5817 3.7976 3.7976 4.2423 4.2423 4.3244 4.3244 4.5690 4.5690 4.6835 4.6835 5.5686 5.5686 8.7325 8.7325 9.4786 9.4786 11.1113 11.1113 12.2382 12.2382 13.4924 13.4924 14.6901 14.6901 k = 0.2568 0.1482 0.6370 ( 2608 PWs) bands (ev): -24.9873 -24.9873 -7.8746 -7.8746 -6.8055 -6.8055 -6.6648 -6.6648 2.0679 2.0679 2.1676 2.1676 2.3165 2.3165 2.3658 2.3658 3.5712 3.5712 3.8044 3.8044 4.2626 4.2626 4.3322 4.3322 4.5789 4.5789 4.6885 4.6885 5.5940 5.5940 8.8124 8.8124 9.3188 9.3188 11.0170 11.0170 12.1369 12.1369 13.5446 13.5446 14.7311 14.7311 k = 0.2703 0.1560 0.6370 ( 2612 PWs) bands (ev): -24.9872 -24.9872 -7.8748 -7.8748 -6.8055 -6.8055 -6.6660 -6.6660 2.0655 2.0655 2.1608 2.1608 2.3191 2.3191 2.3669 2.3669 3.5610 3.5610 3.8116 3.8116 4.2818 4.2818 4.3383 4.3383 4.5906 4.5906 4.6940 4.6940 5.6215 5.6215 8.8909 8.8909 9.1666 9.1666 10.9266 10.9266 12.0378 12.0378 13.5987 13.5987 14.7736 14.7736 k = 0.2838 0.1638 0.6370 ( 2612 PWs) bands (ev): -24.9872 -24.9872 -7.8750 -7.8750 -6.8054 -6.8054 -6.6672 -6.6672 2.0636 2.0636 2.1541 2.1541 2.3214 2.3214 2.3679 2.3679 3.5512 3.5512 3.8190 3.8190 4.2997 4.2997 4.3428 4.3428 4.6038 4.6038 4.6999 4.6999 5.6511 5.6511 8.9399 8.9399 9.0502 9.0502 10.8404 10.8404 11.9409 11.9409 13.6544 13.6544 14.8172 14.8172 k = 0.2973 0.1716 0.6370 ( 2616 PWs) bands (ev): -24.9871 -24.9871 -7.8752 -7.8752 -6.8054 -6.8054 -6.6684 -6.6684 2.0621 2.0621 2.1476 2.1476 2.3232 2.3232 2.3691 2.3691 3.5417 3.5417 3.8268 3.8268 4.3159 4.3159 4.3463 4.3463 4.6181 4.6181 4.7063 4.7063 5.6829 5.6829 8.8407 8.8407 9.0881 9.0881 10.7585 10.7585 11.8462 11.8462 13.7113 13.7113 14.8618 14.8618 k = 0.3108 0.1794 0.6370 ( 2624 PWs) bands (ev): -24.9871 -24.9871 -7.8754 -7.8754 -6.8053 -6.8053 -6.6695 -6.6695 2.0612 2.0612 2.1413 2.1413 2.3244 2.3244 2.3705 2.3705 3.5327 3.5327 3.8346 3.8346 4.3296 4.3296 4.3500 4.3500 4.6330 4.6330 4.7130 4.7130 5.7168 5.7168 8.7030 8.7030 9.1703 9.1703 10.6810 10.6810 11.7535 11.7535 13.7691 13.7691 14.9070 14.9070 k = 0.3243 0.1872 0.6370 ( 2620 PWs) bands (ev): -24.9870 -24.9870 -7.8756 -7.8756 -6.8053 -6.8053 -6.6706 -6.6706 2.0606 2.0606 2.1352 2.1352 2.3252 2.3252 2.3720 2.3720 3.5242 3.5242 3.8424 3.8424 4.3385 4.3385 4.3562 4.3562 4.6481 4.6481 4.7201 4.7201 5.7526 5.7526 8.5663 8.5663 9.2576 9.2576 10.6083 10.6083 11.6629 11.6629 13.8275 13.8275 14.9527 14.9527 k = 0.3378 0.1951 0.6370 ( 2612 PWs) bands (ev): -24.9870 -24.9870 -7.8757 -7.8757 -6.8053 -6.8053 -6.6716 -6.6716 2.0605 2.0605 2.1295 2.1295 2.3254 2.3254 2.3736 2.3736 3.5161 3.5161 3.8502 3.8502 4.3422 4.3422 4.3658 4.3658 4.6630 4.6630 4.7275 4.7275 5.7904 5.7904 8.4338 8.4338 9.3464 9.3464 10.5406 10.5406 11.5741 11.5741 13.8860 13.8860 14.9983 14.9983 k = 0.3514 0.2029 0.6370 ( 2624 PWs) bands (ev): -24.9870 -24.9870 -7.8759 -7.8759 -6.8052 -6.8052 -6.6726 -6.6726 2.0607 2.0607 2.1240 2.1240 2.3251 2.3251 2.3755 2.3755 3.5085 3.5085 3.8578 3.8578 4.3432 4.3432 4.3761 4.3761 4.6774 4.6774 4.7352 4.7352 5.8299 5.8299 8.3064 8.3064 9.4356 9.4356 10.4781 10.4781 11.4872 11.4872 13.9441 13.9441 15.0436 15.0436 k = 0.3649 0.2107 0.6370 ( 2624 PWs) bands (ev): -24.9869 -24.9869 -7.8761 -7.8761 -6.8052 -6.8052 -6.6735 -6.6735 2.0612 2.0612 2.1189 2.1189 2.3245 2.3245 2.3774 2.3774 3.5015 3.5015 3.8651 3.8651 4.3433 4.3433 4.3859 4.3859 4.6908 4.6908 4.7433 4.7433 5.8707 5.8707 8.1848 8.1848 9.5245 9.5245 10.4213 10.4213 11.4019 11.4019 14.0012 14.0012 15.0879 15.0879 k = 0.3784 0.2185 0.6370 ( 2632 PWs) bands (ev): -24.9869 -24.9869 -7.8762 -7.8762 -6.8052 -6.8052 -6.6744 -6.6744 2.0619 2.0619 2.1141 2.1141 2.3236 2.3236 2.3793 2.3793 3.4951 3.4951 3.8721 3.8721 4.3429 4.3429 4.3947 4.3947 4.7030 4.7030 4.7516 4.7516 5.9126 5.9126 8.0696 8.0696 9.6123 9.6123 10.3706 10.3706 11.3182 11.3182 14.0567 14.0567 15.1308 15.1308 k = 0.3919 0.2263 0.6370 ( 2624 PWs) bands (ev): -24.9869 -24.9869 -7.8764 -7.8764 -6.8052 -6.8052 -6.6752 -6.6752 2.0629 2.0629 2.1097 2.1097 2.3225 2.3225 2.3812 2.3812 3.4893 3.4893 3.8786 3.8786 4.3423 4.3423 4.4023 4.4023 4.7137 4.7137 4.7601 4.7601 5.9549 5.9549 7.9614 7.9614 9.6980 9.6980 10.3268 10.3268 11.2360 11.2360 14.1100 14.1100 15.1714 15.1714 k = 0.4054 0.2341 0.6370 ( 2630 PWs) bands (ev): -24.9868 -24.9868 -7.8765 -7.8765 -6.8051 -6.8051 -6.6759 -6.6759 2.0640 2.0640 2.1057 2.1057 2.3213 2.3213 2.3830 2.3830 3.4841 3.4841 3.8845 3.8845 4.3416 4.3416 4.4090 4.4090 4.7229 4.7229 4.7685 4.7685 5.9970 5.9970 7.8610 7.8610 9.7800 9.7800 10.2909 10.2909 11.1553 11.1553 14.1602 14.1602 15.2084 15.2084 k = 0.4189 0.2419 0.6370 ( 2616 PWs) bands (ev): -24.9868 -24.9868 -7.8766 -7.8766 -6.8051 -6.8051 -6.6765 -6.6765 2.0653 2.0653 2.1021 2.1021 2.3200 2.3200 2.3847 2.3847 3.4796 3.4796 3.8898 3.8898 4.3409 4.3409 4.4146 4.4146 4.7306 4.7306 4.7767 4.7767 6.0381 6.0381 7.7693 7.7693 9.8558 9.8558 10.2651 10.2651 11.0763 11.0763 14.2064 14.2064 15.2390 15.2390 k = 0.4324 0.2497 0.6370 ( 2628 PWs) bands (ev): -24.9868 -24.9868 -7.8767 -7.8767 -6.8051 -6.8051 -6.6770 -6.6770 2.0665 2.0665 2.0989 2.0989 2.3188 2.3188 2.3862 2.3862 3.4757 3.4757 3.8944 3.8944 4.3403 4.3403 4.4192 4.4192 4.7368 4.7368 4.7842 4.7842 6.0769 6.0769 7.6875 7.6875 9.9213 9.9213 10.2527 10.2527 10.9993 10.9993 14.2477 14.2477 15.2477 15.2477 k = 0.4459 0.2575 0.6370 ( 2628 PWs) bands (ev): -24.9868 -24.9868 -7.8768 -7.8768 -6.8051 -6.8051 -6.6775 -6.6775 2.0678 2.0678 2.0961 2.0961 2.3177 2.3177 2.3875 2.3875 3.4725 3.4725 3.8982 3.8982 4.3397 4.3397 4.4229 4.4229 4.7417 4.7417 4.7908 4.7908 6.1121 6.1121 7.6171 7.6171 9.9710 9.9710 10.2579 10.2579 10.9253 10.9253 14.2833 14.2833 15.2158 15.2158 k = 0.4595 0.2653 0.6370 ( 2630 PWs) bands (ev): -24.9868 -24.9868 -7.8769 -7.8769 -6.8051 -6.8051 -6.6778 -6.6778 2.0689 2.0689 2.0938 2.0938 2.3168 2.3168 2.3885 2.3885 3.4700 3.4700 3.9013 3.9013 4.3393 4.3393 4.4257 4.4257 4.7455 4.7455 4.7962 4.7962 6.1421 6.1421 7.5596 7.5596 10.0015 10.0015 10.2822 10.2822 10.8560 10.8560 14.3121 14.3121 15.1786 15.1786 k = 0.4730 0.2731 0.6370 ( 2634 PWs) bands (ev): -24.9867 -24.9867 -7.8769 -7.8769 -6.8051 -6.8051 -6.6781 -6.6781 2.0699 2.0699 2.0921 2.0921 2.3162 2.3162 2.3892 2.3892 3.4682 3.4682 3.9035 3.9035 4.3390 4.3390 4.4277 4.4277 4.7481 4.7481 4.8002 4.8002 6.1653 6.1653 7.5169 7.5169 10.0160 10.0160 10.3183 10.3183 10.7952 10.7952 14.3334 14.3334 15.1499 15.1499 k = 0.4865 0.2809 0.6370 ( 2636 PWs) bands (ev): -24.9867 -24.9867 -7.8769 -7.8769 -6.8051 -6.8051 -6.6782 -6.6782 2.0705 2.0705 2.0910 2.0910 2.3158 2.3158 2.3897 2.3897 3.4672 3.4672 3.9048 3.9048 4.3388 4.3388 4.4289 4.4289 4.7497 4.7497 4.8026 4.8026 6.1799 6.1799 7.4905 7.4905 10.0214 10.0214 10.3516 10.3516 10.7505 10.7505 14.3464 14.3464 15.1323 15.1323 k = 0.5000 0.2887 0.6370 ( 2624 PWs) bands (ev): -24.9867 -24.9867 -7.8769 -7.8769 -6.8051 -6.8051 -6.6783 -6.6783 2.0707 2.0707 2.0906 2.0906 2.3156 2.3156 2.3898 2.3898 3.4668 3.4668 3.9053 3.9053 4.3387 4.3387 4.4293 4.4293 4.7502 4.7502 4.8034 4.8034 6.1850 6.1850 7.4815 7.4815 10.0227 10.0227 10.3655 10.3655 10.7333 10.7333 14.3509 14.3509 15.1263 15.1263 k = 0.5000 0.2887 0.6370 ( 2624 PWs) bands (ev): -24.9867 -24.9867 -7.8769 -7.8769 -6.8051 -6.8051 -6.6783 -6.6783 2.0707 2.0707 2.0906 2.0906 2.3156 2.3156 2.3898 2.3898 3.4668 3.4668 3.9053 3.9053 4.3387 4.3387 4.4293 4.4293 4.7502 4.7502 4.8034 4.8034 6.1850 6.1850 7.4815 7.4815 10.0227 10.0227 10.3655 10.3655 10.7333 10.7333 14.3509 14.3509 15.1263 15.1263 k = 0.4924 0.3018 0.6370 ( 2628 PWs) bands (ev): -24.9867 -24.9867 -7.8770 -7.8770 -6.8051 -6.8051 -6.6783 -6.6783 2.0705 2.0705 2.0908 2.0908 2.3157 2.3157 2.3897 2.3897 3.4674 3.4674 3.9052 3.9052 4.3374 4.3374 4.4305 4.4305 4.7483 4.7483 4.8061 4.8061 6.1852 6.1852 7.4782 7.4782 10.0237 10.0237 10.3660 10.3660 10.7340 10.7340 14.3521 14.3521 15.1243 15.1243 k = 0.4848 0.3149 0.6370 ( 2632 PWs) bands (ev): -24.9867 -24.9867 -7.8770 -7.8770 -6.8051 -6.8051 -6.6783 -6.6783 2.0697 2.0697 2.0912 2.0912 2.3160 2.3160 2.3895 2.3895 3.4693 3.4693 3.9048 3.9048 4.3339 4.3339 4.4340 4.4340 4.7436 4.7436 4.8133 4.8133 6.1860 6.1860 7.4685 7.4685 10.0267 10.0267 10.3676 10.3676 10.7363 10.7363 14.3557 14.3557 15.1180 15.1180 k = 0.4773 0.3280 0.6370 ( 2636 PWs) bands (ev): -24.9867 -24.9867 -7.8770 -7.8770 -6.8051 -6.8051 -6.6784 -6.6784 2.0686 2.0686 2.0918 2.0918 2.3164 2.3164 2.3891 2.3891 3.4724 3.4724 3.9041 3.9041 4.3285 4.3285 4.4393 4.4393 4.7375 4.7375 4.8234 4.8234 6.1873 6.1873 7.4525 7.4525 10.0314 10.0314 10.3702 10.3702 10.7399 10.7399 14.3620 14.3620 15.1077 15.1077 k = 0.4697 0.3412 0.6370 ( 2624 PWs) bands (ev): -24.9867 -24.9867 -7.8770 -7.8770 -6.8051 -6.8051 -6.6786 -6.6786 2.0671 2.0671 2.0926 2.0926 2.3169 2.3169 2.3886 2.3886 3.4766 3.4766 3.9033 3.9033 4.3219 4.3219 4.4457 4.4457 4.7310 4.7310 4.8354 4.8354 6.1892 6.1892 7.4306 7.4306 10.0377 10.0377 10.3740 10.3740 10.7448 10.7448 14.3711 14.3711 15.0931 15.0931 k = 0.4621 0.3543 0.6370 ( 2624 PWs) bands (ev): -24.9867 -24.9867 -7.8770 -7.8770 -6.8050 -6.8050 -6.6787 -6.6787 2.0653 2.0653 2.0935 2.0935 2.3175 2.3175 2.3881 2.3881 3.4818 3.4818 3.9022 3.9022 4.3146 4.3146 4.4529 4.4529 4.7247 4.7247 4.8488 4.8488 6.1919 6.1919 7.4031 7.4031 10.0450 10.0450 10.3790 10.3790 10.7508 10.7508 14.3831 14.3831 15.0745 15.0745 k = 0.4545 0.3674 0.6370 ( 2620 PWs) bands (ev): -24.9867 -24.9867 -7.8771 -7.8771 -6.8050 -6.8050 -6.6789 -6.6789 2.0633 2.0633 2.0945 2.0945 2.3181 2.3181 2.3876 2.3876 3.4880 3.4880 3.9009 3.9009 4.3068 4.3068 4.4604 4.4604 4.7188 4.7188 4.8632 4.8632 6.1953 6.1953 7.3705 7.3705 10.0530 10.0530 10.3852 10.3852 10.7577 10.7577 14.3984 14.3984 15.0520 15.0520 k = 0.4470 0.3805 0.6370 ( 2622 PWs) bands (ev): -24.9867 -24.9867 -7.8771 -7.8771 -6.8050 -6.8050 -6.6792 -6.6792 2.0611 2.0611 2.0956 2.0956 2.3185 2.3185 2.3872 2.3872 3.4950 3.4950 3.8994 3.8994 4.2988 4.2988 4.4681 4.4681 4.7134 4.7134 4.8784 4.8784 6.1996 6.1996 7.3333 7.3333 10.0614 10.0614 10.3927 10.3927 10.7653 10.7653 14.4173 14.4173 15.0258 15.0258 k = 0.4394 0.3936 0.6370 ( 2630 PWs) bands (ev): -24.9867 -24.9867 -7.8771 -7.8771 -6.8049 -6.8049 -6.6794 -6.6794 2.0589 2.0589 2.0968 2.0968 2.3188 2.3188 2.3869 2.3869 3.5026 3.5026 3.8978 3.8978 4.2908 4.2908 4.4758 4.4758 4.7085 4.7085 4.8942 4.8942 6.2051 6.2051 7.2920 7.2920 10.0697 10.0697 10.4015 10.4015 10.7732 10.7732 14.4400 14.4400 14.9963 14.9963 k = 0.4318 0.4068 0.6370 ( 2634 PWs) bands (ev): -24.9867 -24.9867 -7.8772 -7.8772 -6.8049 -6.8049 -6.6797 -6.6797 2.0565 2.0565 2.0980 2.0980 2.3189 2.3189 2.3867 2.3867 3.5107 3.5107 3.8961 3.8961 4.2830 4.2830 4.4833 4.4833 4.7043 4.7043 4.9104 4.9104 6.2118 6.2118 7.2473 7.2473 10.0776 10.0776 10.4115 10.4115 10.7813 10.7813 14.4668 14.4668 14.9639 14.9640 k = 0.4242 0.4199 0.6370 ( 2626 PWs) bands (ev): -24.9867 -24.9867 -7.8772 -7.8772 -6.8049 -6.8049 -6.6800 -6.6800 2.0542 2.0542 2.0991 2.0991 2.3188 2.3188 2.3868 2.3868 3.5192 3.5192 3.8943 3.8943 4.2755 4.2755 4.4905 4.4905 4.7005 4.7005 4.9269 4.9269 6.2201 6.2201 7.1996 7.1996 10.0849 10.0849 10.4225 10.4225 10.7891 10.7891 14.4980 14.4980 14.9292 14.9292 k = 0.4167 0.4330 0.6370 ( 2622 PWs) bands (ev): -24.9867 -24.9867 -7.8773 -7.8773 -6.8048 -6.8048 -6.6803 -6.6803 2.0519 2.0519 2.1003 2.1003 2.3184 2.3184 2.3871 2.3871 3.5278 3.5278 3.8925 3.8925 4.2684 4.2684 4.4973 4.4973 4.6973 4.6973 4.9434 4.9434 6.2301 6.2301 7.1495 7.1495 10.0914 10.0914 10.4346 10.4346 10.7964 10.7964 14.5337 14.5337 14.8929 14.8929 k = 0.4091 0.4461 0.6370 ( 2626 PWs) bands (ev): -24.9867 -24.9867 -7.8773 -7.8773 -6.8048 -6.8048 -6.6806 -6.6806 2.0496 2.0496 2.1015 2.1015 2.3178 2.3178 2.3875 2.3875 3.5363 3.5363 3.8908 3.8908 4.2617 4.2617 4.5037 4.5037 4.6946 4.6946 4.9597 4.9597 6.2422 6.2422 7.0975 7.0975 10.0972 10.0972 10.4475 10.4475 10.8028 10.8028 14.5736 14.5736 14.8559 14.8559 k = 0.4015 0.4593 0.6370 ( 2616 PWs) bands (ev): -24.9866 -24.9866 -7.8774 -7.8774 -6.8048 -6.8048 -6.6809 -6.6809 2.0476 2.0476 2.1025 2.1025 2.3170 2.3170 2.3882 2.3882 3.5446 3.5446 3.8891 3.8891 4.2555 4.2555 4.5096 4.5096 4.6923 4.6923 4.9757 4.9757 6.2566 6.2566 7.0440 7.0440 10.1021 10.1021 10.4611 10.4611 10.8081 10.8081 14.6174 14.6174 14.8197 14.8197 k = 0.3939 0.4724 0.6370 ( 2620 PWs) bands (ev): -24.9866 -24.9866 -7.8774 -7.8774 -6.8047 -6.8047 -6.6812 -6.6812 2.0456 2.0456 2.1035 2.1035 2.3161 2.3161 2.3889 2.3889 3.5524 3.5524 3.8876 3.8876 4.2499 4.2499 4.5150 4.5150 4.6905 4.6905 4.9909 4.9909 6.2738 6.2738 6.9894 6.9894 10.1062 10.1062 10.4752 10.4752 10.8120 10.8120 14.6621 14.6621 14.7878 14.7878 k = 0.3864 0.4855 0.6370 ( 2620 PWs) bands (ev): -24.9866 -24.9866 -7.8775 -7.8775 -6.8047 -6.8047 -6.6815 -6.6815 2.0438 2.0438 2.1045 2.1045 2.3151 2.3151 2.3898 2.3898 3.5596 3.5596 3.8863 3.8863 4.2450 4.2450 4.5198 4.5198 4.6890 4.6890 5.0053 5.0053 6.2939 6.2939 6.9341 6.9341 10.1096 10.1096 10.4896 10.4896 10.8142 10.8142 14.6934 14.6934 14.7755 14.7755 k = 0.3788 0.4986 0.6370 ( 2620 PWs) bands (ev): -24.9866 -24.9866 -7.8775 -7.8775 -6.8047 -6.8047 -6.6817 -6.6817 2.0423 2.0423 2.1053 2.1053 2.3141 2.3141 2.3906 2.3906 3.5661 3.5661 3.8851 3.8851 4.2407 4.2407 4.5240 4.5240 4.6878 4.6878 5.0184 5.0184 6.3174 6.3174 6.8784 6.8784 10.1124 10.1124 10.5041 10.5041 10.8145 10.8145 14.6848 14.6848 14.8100 14.8100 k = 0.3712 0.5117 0.6370 ( 2608 PWs) bands (ev): -24.9866 -24.9866 -7.8776 -7.8776 -6.8046 -6.8046 -6.6820 -6.6820 2.0409 2.0409 2.1060 2.1060 2.3131 2.3131 2.3914 2.3914 3.5717 3.5717 3.8842 3.8842 4.2371 4.2371 4.5277 4.5277 4.6870 4.6870 5.0301 5.0301 6.3446 6.3446 6.8227 6.8227 10.1145 10.1145 10.5186 10.5186 10.8130 10.8130 14.6597 14.6597 14.8687 14.8687 k = 0.3636 0.5249 0.6370 ( 2610 PWs) bands (ev): -24.9866 -24.9866 -7.8776 -7.8776 -6.8046 -6.8046 -6.6822 -6.6822 2.0398 2.0398 2.1065 2.1065 2.3122 2.3122 2.3922 2.3922 3.5763 3.5763 3.8836 3.8836 4.2342 4.2342 4.5307 4.5307 4.6864 4.6864 5.0401 5.0401 6.3758 6.3758 6.7671 6.7671 10.1161 10.1161 10.5326 10.5326 10.8096 10.8096 14.6342 14.6342 14.9359 14.9359 k = 0.3561 0.5380 0.6370 ( 2606 PWs) bands (ev): -24.9866 -24.9866 -7.8776 -7.8776 -6.8046 -6.8046 -6.6823 -6.6823 2.0390 2.0390 2.1070 2.1070 2.3115 2.3115 2.3928 2.3928 3.5799 3.5799 3.8831 3.8831 4.2320 4.2320 4.5330 4.5330 4.6859 4.6859 5.0481 5.0481 6.4112 6.4112 6.7121 6.7121 10.1173 10.1173 10.5457 10.5457 10.8047 10.8047 14.6123 14.6123 15.0083 15.0083 k = 0.3485 0.5511 0.6370 ( 2594 PWs) bands (ev): -24.9866 -24.9866 -7.8777 -7.8777 -6.8046 -6.8046 -6.6824 -6.6824 2.0384 2.0384 2.1073 2.1073 2.3109 2.3109 2.3932 2.3932 3.5824 3.5824 3.8829 3.8829 4.2304 4.2304 4.5347 4.5347 4.6857 4.6857 5.0540 5.0540 6.4509 6.4509 6.6579 6.6579 10.1181 10.1181 10.5571 10.5571 10.7992 10.7992 14.5955 14.5955 15.0849 15.0849 k = 0.3409 0.5642 0.6370 ( 2602 PWs) bands (ev): -24.9866 -24.9866 -7.8777 -7.8777 -6.8046 -6.8046 -6.6825 -6.6825 2.0380 2.0380 2.1074 2.1074 2.3106 2.3106 2.3935 2.3935 3.5838 3.5838 3.8828 3.8828 4.2295 4.2295 4.5357 4.5357 4.6856 4.6856 5.0576 5.0576 6.4944 6.4944 6.6057 6.6057 10.1186 10.1186 10.5653 10.5653 10.7943 10.7943 14.5849 14.5849 15.1649 15.1649 k = 0.3333 0.5774 0.6370 ( 2598 PWs) bands (ev): -24.9866 -24.9866 -7.8777 -7.8777 -6.8046 -6.8046 -6.6825 -6.6825 2.0379 2.0379 2.1075 2.1075 2.3105 2.3105 2.3936 2.3936 3.5843 3.5843 3.8827 3.8827 4.2293 4.2293 4.5360 4.5360 4.6855 4.6855 5.0588 5.0588 6.5282 6.5282 6.5688 6.5688 10.1188 10.1188 10.5685 10.5685 10.7922 10.7922 14.5812 14.5812 15.2499 15.2499 k = 0.3333 0.5774 0.6370 ( 2598 PWs) bands (ev): -24.9866 -24.9866 -7.8777 -7.8777 -6.8046 -6.8046 -6.6825 -6.6825 2.0379 2.0379 2.1075 2.1075 2.3105 2.3105 2.3936 2.3936 3.5843 3.5843 3.8827 3.8827 4.2293 4.2293 4.5360 4.5360 4.6855 4.6855 5.0588 5.0588 6.5282 6.5282 6.5688 6.5688 10.1188 10.1188 10.5685 10.5685 10.7922 10.7922 14.5812 14.5812 15.2457 15.2499 k = 0.3256 0.5639 0.6370 ( 2602 PWs) bands (ev): -24.9866 -24.9866 -7.8777 -7.8777 -6.8046 -6.8046 -6.6825 -6.6825 2.0380 2.0380 2.1075 2.1075 2.3106 2.3106 2.3935 2.3935 3.5838 3.5838 3.8827 3.8827 4.2295 4.2295 4.5357 4.5357 4.6856 4.6856 5.0575 5.0575 6.4913 6.4913 6.6089 6.6089 10.1186 10.1186 10.5645 10.5645 10.7952 10.7952 14.5853 14.5853 15.1615 15.1615 k = 0.3178 0.5505 0.6370 ( 2604 PWs) bands (ev): -24.9866 -24.9866 -7.8777 -7.8777 -6.8046 -6.8046 -6.6824 -6.6824 2.0383 2.0383 2.1073 2.1073 2.3110 2.3110 2.3932 2.3932 3.5826 3.5826 3.8827 3.8827 4.2303 4.2303 4.5346 4.5346 4.6856 4.6856 5.0537 5.0537 6.4405 6.4405 6.6694 6.6694 10.1178 10.1178 10.5519 10.5519 10.8053 10.8053 14.5977 14.5977 15.0750 15.0750 k = 0.3101 0.5371 0.6370 ( 2600 PWs) bands (ev): -24.9866 -24.9866 -7.8776 -7.8776 -6.8046 -6.8046 -6.6823 -6.6823 2.0389 2.0389 2.1071 2.1071 2.3117 2.3117 2.3926 2.3926 3.5806 3.5806 3.8824 3.8824 4.2316 4.2316 4.5329 4.5329 4.6856 4.6856 5.0474 5.0474 6.3897 6.3897 6.7366 6.7366 10.1160 10.1160 10.5312 10.5312 10.8228 10.8228 14.6186 14.6186 14.9887 14.9887 k = 0.3023 0.5236 0.6370 ( 2600 PWs) bands (ev): -24.9866 -24.9866 -7.8776 -7.8776 -6.8046 -6.8046 -6.6821 -6.6821 2.0396 2.0396 2.1070 2.1070 2.3126 2.3126 2.3918 2.3918 3.5780 3.5780 3.8820 3.8820 4.2332 4.2332 4.5305 4.5305 4.6855 4.6855 5.0386 5.0386 6.3396 6.3396 6.8095 6.8095 10.1124 10.1124 10.5042 10.5042 10.8471 10.8471 14.6479 14.6479 14.9035 14.9035 k = 0.2946 0.5102 0.6370 ( 2600 PWs) bands (ev): -24.9866 -24.9866 -7.8775 -7.8775 -6.8046 -6.8046 -6.6818 -6.6818 2.0405 2.0405 2.1068 2.1068 2.3138 2.3138 2.3908 2.3908 3.5751 3.5751 3.8812 3.8812 4.2352 4.2352 4.5275 4.5275 4.6853 4.6853 5.0276 5.0276 6.2905 6.2905 6.8881 6.8881 10.1057 10.1057 10.4740 10.4740 10.8772 10.8772 14.6831 14.6831 14.8220 14.8220 k = 0.2868 0.4968 0.6370 ( 2596 PWs) bands (ev): -24.9866 -24.9866 -7.8775 -7.8775 -6.8047 -6.8047 -6.6814 -6.6814 2.0415 2.0415 2.1068 2.1068 2.3151 2.3151 2.3896 2.3896 3.5719 3.5719 3.8801 3.8801 4.2373 4.2373 4.5238 4.5238 4.6850 4.6850 5.0144 5.0144 6.2425 6.2425 6.9721 6.9721 10.0938 10.0938 10.4441 10.4441 10.9124 10.9124 14.6972 14.6972 14.7715 14.7715 k = 0.2791 0.4834 0.6370 ( 2604 PWs) bands (ev): -24.9866 -24.9866 -7.8774 -7.8774 -6.8047 -6.8047 -6.6810 -6.6810 2.0426 2.0426 2.1069 2.1069 2.3167 2.3167 2.3882 2.3882 3.5686 3.5686 3.8786 3.8786 4.2397 4.2397 4.5195 4.5195 4.6844 4.6844 4.9993 4.9993 6.1956 6.1956 7.0614 7.0614 10.0740 10.0740 10.4184 10.4184 10.9521 10.9521 14.6334 14.6334 14.8087 14.8087 k = 0.2713 0.4699 0.6370 ( 2608 PWs) bands (ev): -24.9867 -24.9867 -7.8773 -7.8773 -6.8047 -6.8047 -6.6805 -6.6805 2.0437 2.0437 2.1073 2.1073 2.3185 2.3185 2.3866 2.3866 3.5654 3.5654 3.8767 3.8767 4.2422 4.2422 4.5146 4.5146 4.6836 4.6836 4.9824 4.9824 6.1499 6.1499 7.1559 7.1559 10.0436 10.0436 10.4007 10.4007 10.9958 10.9958 14.5534 14.5534 14.8720 14.8720 k = 0.2636 0.4565 0.6370 ( 2608 PWs) bands (ev): -24.9867 -24.9867 -7.8772 -7.8772 -6.8048 -6.8048 -6.6799 -6.6799 2.0448 2.0448 2.1079 2.1079 2.3204 2.3204 2.3848 2.3848 3.5623 3.5623 3.8743 3.8743 4.2447 4.2447 4.5090 4.5090 4.6825 4.6825 4.9638 4.9638 6.1052 6.1052 7.2555 7.2555 10.0013 10.0013 10.3933 10.3933 11.0435 11.0435 14.4723 14.4723 14.9458 14.9458 k = 0.2558 0.4431 0.6370 ( 2608 PWs) bands (ev): -24.9867 -24.9867 -7.8771 -7.8771 -6.8048 -6.8048 -6.6793 -6.6793 2.0458 2.0458 2.1090 2.1090 2.3223 2.3223 2.3828 2.3828 3.5594 3.5594 3.8714 3.8714 4.2473 4.2473 4.5029 4.5029 4.6812 4.6812 4.9439 4.9439 6.0617 6.0617 7.3601 7.3601 9.9478 9.9478 10.3964 10.3964 11.0948 11.0948 14.3920 14.3920 15.0277 15.0277 k = 0.2481 0.4297 0.6370 ( 2608 PWs) bands (ev): -24.9867 -24.9867 -7.8770 -7.8770 -6.8048 -6.8048 -6.6786 -6.6786 2.0468 2.0468 2.1105 2.1105 2.3243 2.3243 2.3808 2.3808 3.5570 3.5570 3.8680 3.8680 4.2498 4.2498 4.4961 4.4961 4.6795 4.6795 4.9228 4.9228 6.0192 6.0192 7.4695 7.4695 9.8851 9.8851 10.4089 10.4089 11.1498 11.1498 14.3130 14.3130 15.1158 15.1158 k = 0.2403 0.4162 0.6370 ( 2604 PWs) bands (ev): -24.9868 -24.9868 -7.8768 -7.8768 -6.8049 -6.8049 -6.6778 -6.6778 2.0477 2.0477 2.1124 2.1124 2.3263 2.3263 2.3786 2.3786 3.5550 3.5550 3.8642 3.8642 4.2523 4.2523 4.4886 4.4886 4.6775 4.6775 4.9008 4.9008 5.9779 5.9779 7.5837 7.5837 9.8151 9.8151 10.4294 10.4294 11.2082 11.2082 14.2356 14.2356 15.2053 15.2053 k = 0.2326 0.4028 0.6370 ( 2602 PWs) bands (ev): -24.9868 -24.9868 -7.8767 -7.8767 -6.8049 -6.8049 -6.6770 -6.6770 2.0485 2.0485 2.1149 2.1149 2.3281 2.3281 2.3764 2.3764 3.5536 3.5536 3.8599 3.8599 4.2547 4.2547 4.4804 4.4804 4.6750 4.6750 4.8780 4.8780 5.9378 5.9378 7.7025 7.7025 9.7397 9.7397 10.4570 10.4570 11.2701 11.2701 14.1599 14.1599 15.2716 15.2716 k = 0.2248 0.3894 0.6370 ( 2602 PWs) bands (ev): -24.9868 -24.9868 -7.8765 -7.8765 -6.8050 -6.8050 -6.6761 -6.6761 2.0493 2.0493 2.1178 2.1178 2.3297 2.3297 2.3742 2.3742 3.5529 3.5529 3.8552 3.8552 4.2569 4.2569 4.4715 4.4715 4.6721 4.6721 4.8548 4.8548 5.8988 5.8988 7.8258 7.8258 9.6603 9.6603 10.4907 10.4907 11.3354 11.3354 14.0861 14.0861 15.2600 15.2600 k = 0.2171 0.3759 0.6370 ( 2602 PWs) bands (ev): -24.9869 -24.9869 -7.8763 -7.8763 -6.8050 -6.8050 -6.6751 -6.6751 2.0501 2.0501 2.1213 2.1213 2.3310 2.3310 2.3721 2.3721 3.5528 3.5528 3.8501 3.8501 4.2588 4.2588 4.4618 4.4618 4.6687 4.6687 4.8315 4.8315 5.8611 5.8611 7.9535 7.9535 9.5780 9.5780 10.5302 10.5302 11.4040 11.4040 14.0143 14.0143 15.2108 15.2108 k = 0.2093 0.3625 0.6370 ( 2606 PWs) bands (ev): -24.9869 -24.9869 -7.8762 -7.8762 -6.8051 -6.8051 -6.6741 -6.6741 2.0509 2.0509 2.1252 2.1252 2.3319 2.3319 2.3702 2.3702 3.5535 3.5535 3.8446 3.8446 4.2604 4.2604 4.4514 4.4514 4.6647 4.6647 4.8084 4.8084 5.8246 5.8246 8.0854 8.0854 9.4936 9.4936 10.5751 10.5751 11.4759 11.4759 13.9447 13.9447 15.1550 15.1550 k = 0.2016 0.3491 0.6370 ( 2602 PWs) bands (ev): -24.9870 -24.9870 -7.8760 -7.8760 -6.8051 -6.8051 -6.6731 -6.6731 2.0519 2.0519 2.1296 2.1296 2.3323 2.3323 2.3685 2.3685 3.5550 3.5550 3.8389 3.8389 4.2615 4.2615 4.4403 4.4403 4.6599 4.6599 4.7859 4.7859 5.7894 5.7894 8.2215 8.2215 9.4080 9.4080 10.6250 10.6250 11.5510 11.5510 13.8772 13.8772 15.0985 15.0985 k = 0.1938 0.3357 0.6370 ( 2606 PWs) bands (ev): -24.9870 -24.9870 -7.8758 -7.8758 -6.8052 -6.8052 -6.6720 -6.6720 2.0530 2.0530 2.1345 2.1345 2.3321 2.3321 2.3671 2.3671 3.5572 3.5572 3.8329 3.8329 4.2618 4.2618 4.4285 4.4285 4.6541 4.6541 4.7646 4.7646 5.7555 5.7555 8.3616 8.3616 9.3217 9.3217 10.6800 10.6800 11.6292 11.6292 13.8119 13.8119 15.0426 15.0426 k = 0.1860 0.3222 0.6370 ( 2602 PWs) bands (ev): -24.9870 -24.9870 -7.8756 -7.8756 -6.8052 -6.8052 -6.6708 -6.6708 2.0543 2.0543 2.1397 2.1397 2.3312 2.3312 2.3660 2.3660 3.5603 3.5603 3.8267 3.8267 4.2612 4.2612 4.4161 4.4161 4.6469 4.6469 4.7451 4.7451 5.7231 5.7231 8.5052 8.5052 9.2357 9.2357 10.7397 10.7397 11.7106 11.7106 13.7490 13.7490 14.9879 14.9879 k = 0.1783 0.3088 0.6370 ( 2594 PWs) bands (ev): -24.9871 -24.9871 -7.8754 -7.8754 -6.8053 -6.8053 -6.6697 -6.6697 2.0559 2.0559 2.1452 2.1452 2.3296 2.3296 2.3653 2.3653 3.5642 3.5642 3.8205 3.8205 4.2594 4.2594 4.4031 4.4031 4.6381 4.6381 4.7279 4.7279 5.6921 5.6921 8.6518 8.6518 9.1508 9.1508 10.8041 10.8041 11.7950 11.7950 13.6884 13.6884 14.9347 14.9347 k = 0.1705 0.2954 0.6370 ( 2602 PWs) bands (ev): -24.9871 -24.9871 -7.8752 -7.8752 -6.8053 -6.8053 -6.6685 -6.6685 2.0578 2.0578 2.1511 2.1511 2.3274 2.3274 2.3648 2.3648 3.5689 3.5689 3.8143 3.8143 4.2559 4.2559 4.3899 4.3899 4.6276 4.6276 4.7136 4.7136 5.6626 5.6626 8.7986 8.7986 9.0702 9.0702 10.8731 10.8731 11.8825 11.8825 13.6303 13.6303 14.8832 14.8832 k = 0.1628 0.2820 0.6370 ( 2614 PWs) bands (ev): -24.9872 -24.9872 -7.8750 -7.8750 -6.8054 -6.8054 -6.6672 -6.6672 2.0600 2.0600 2.1572 2.1572 2.3248 2.3248 2.3644 2.3644 3.5743 3.5743 3.8081 3.8081 4.2504 4.2504 4.3764 4.3764 4.6156 4.6156 4.7021 4.7021 5.6346 5.6346 8.9134 8.9134 9.0262 9.0262 10.9466 10.9466 11.9728 11.9728 13.5746 13.5746 14.8335 14.8335 k = 0.1550 0.2685 0.6370 ( 2618 PWs) bands (ev): -24.9872 -24.9872 -7.8748 -7.8748 -6.8055 -6.8055 -6.6660 -6.6660 2.0627 2.0627 2.1635 2.1635 2.3218 2.3218 2.3640 2.3640 3.5806 3.5806 3.8021 3.8021 4.2425 4.2425 4.3629 4.3629 4.6030 4.6030 4.6931 4.6931 5.6083 5.6083 8.8759 8.8759 9.1397 9.1397 11.0245 11.0245 12.0661 12.0661 13.5214 13.5214 14.7857 14.7857 k = 0.1473 0.2551 0.6370 ( 2616 PWs) bands (ev): -24.9873 -24.9873 -7.8746 -7.8746 -6.8055 -6.8055 -6.6648 -6.6648 2.0657 2.0657 2.1701 2.1701 2.3185 2.3185 2.3635 2.3635 3.5875 3.5875 3.7963 3.7963 4.2321 4.2321 4.3493 4.3493 4.5906 4.5906 4.6861 4.6861 5.5836 5.5836 8.7997 8.7997 9.2971 9.2971 11.1066 11.1066 12.1621 12.1621 13.4708 13.4708 14.7400 14.7400 k = 0.1395 0.2417 0.6370 ( 2612 PWs) bands (ev): -24.9873 -24.9873 -7.8744 -7.8744 -6.8056 -6.8056 -6.6635 -6.6635 2.0692 2.0692 2.1767 2.1767 2.3149 2.3149 2.3629 2.3629 3.5952 3.5952 3.7908 3.7908 4.2191 4.2191 4.3356 4.3356 4.5794 4.5794 4.6805 4.6805 5.5605 5.5605 8.7214 8.7214 9.4619 9.4619 11.1928 11.1928 12.2609 12.2609 13.4229 13.4229 14.6962 14.6962 k = 0.1318 0.2283 0.6370 ( 2604 PWs) bands (ev): -24.9874 -24.9874 -7.8742 -7.8742 -6.8056 -6.8056 -6.6623 -6.6623 2.0730 2.0730 2.1835 2.1835 2.3113 2.3113 2.3620 2.3620 3.6035 3.6035 3.7857 3.7857 4.2036 4.2036 4.3213 4.3213 4.5699 4.5699 4.6759 4.6759 5.5391 5.5391 8.6443 8.6443 9.6312 9.6312 11.2831 11.2831 12.3623 12.3623 13.3776 13.3776 14.6547 14.6547 k = 0.1240 0.2148 0.6370 ( 2608 PWs) bands (ev): -24.9874 -24.9874 -7.8740 -7.8740 -6.8057 -6.8057 -6.6611 -6.6611 2.0773 2.0773 2.1903 2.1903 2.3076 2.3076 2.3609 2.3609 3.6125 3.6125 3.7810 3.7810 4.1861 4.1861 4.3065 4.3065 4.5625 4.5625 4.6719 4.6719 5.5193 5.5193 8.5694 8.5694 9.8040 9.8040 11.3772 11.3772 12.4660 12.4660 13.3350 13.3350 14.6153 14.6153 k = 0.1163 0.2014 0.6370 ( 2604 PWs) bands (ev): -24.9875 -24.9875 -7.8738 -7.8738 -6.8058 -6.8058 -6.6599 -6.6599 2.0819 2.0819 2.1970 2.1970 2.3039 2.3039 2.3594 2.3594 3.6219 3.6219 3.7768 3.7768 4.1668 4.1668 4.2908 4.2908 4.5574 4.5574 4.6685 4.6685 5.5011 5.5011 8.4970 8.4970 9.9802 9.9802 11.4752 11.4752 12.5721 12.5721 13.2952 13.2952 14.5781 14.5781 k = 0.1085 0.1880 0.6370 ( 2600 PWs) bands (ev): -24.9875 -24.9875 -7.8737 -7.8737 -6.8058 -6.8058 -6.6587 -6.6587 2.0869 2.0869 2.2038 2.2038 2.3002 2.3002 2.3577 2.3577 3.6319 3.6319 3.7732 3.7732 4.1462 4.1462 4.2743 4.2743 4.5545 4.5545 4.6655 4.6655 5.4845 5.4845 8.4277 8.4277 10.1594 10.1594 11.5768 11.5768 12.6802 12.6802 13.2583 13.2583 14.5431 14.5431 k = 0.1008 0.1745 0.6370 ( 2590 PWs) bands (ev): -24.9876 -24.9876 -7.8735 -7.8735 -6.8059 -6.8059 -6.6576 -6.6576 2.0923 2.0923 2.2104 2.2104 2.2965 2.2965 2.3556 2.3556 3.6424 3.6424 3.7702 3.7702 4.1246 4.1246 4.2571 4.2571 4.5535 4.5535 4.6628 4.6628 5.4695 5.4695 8.3616 8.3616 10.3414 10.3414 11.6818 11.6818 12.7897 12.7897 13.2248 13.2248 14.5104 14.5104 k = 0.0930 0.1611 0.6370 ( 2590 PWs) bands (ev): -24.9876 -24.9876 -7.8734 -7.8734 -6.8060 -6.8060 -6.6565 -6.6565 2.0978 2.0978 2.2169 2.2169 2.2930 2.2930 2.3532 2.3532 3.6533 3.6533 3.7678 3.7678 4.1024 4.1024 4.2394 4.2394 4.5541 4.5541 4.6603 4.6603 5.4560 5.4560 8.2991 8.2991 10.5260 10.5260 11.7902 11.7902 12.8997 12.8997 13.1954 13.1954 14.4800 14.4800 k = 0.0853 0.1477 0.6370 ( 2586 PWs) bands (ev): -24.9876 -24.9876 -7.8732 -7.8732 -6.8060 -6.8060 -6.6555 -6.6555 2.1036 2.1036 2.2231 2.2231 2.2897 2.2897 2.3506 2.3506 3.6645 3.6645 3.7661 3.7661 4.0799 4.0799 4.2216 4.2216 4.5561 4.5561 4.6579 4.6579 5.4439 5.4439 8.2405 8.2405 10.7129 10.7129 11.9017 11.9017 13.0062 13.0062 13.1734 13.1734 14.4518 14.4518 k = 0.0775 0.1343 0.6370 ( 2590 PWs) bands (ev): -24.9877 -24.9877 -7.8731 -7.8731 -6.8061 -6.8061 -6.6545 -6.6545 2.1095 2.1095 2.2290 2.2290 2.2865 2.2865 2.3477 2.3477 3.6761 3.6761 3.7650 3.7650 4.0573 4.0573 4.2039 4.2039 4.5590 4.5590 4.6558 4.6558 5.4333 5.4333 8.1860 8.1860 10.9018 10.9018 12.0159 12.0159 13.0852 13.0852 13.1826 13.1826 14.4258 14.4258 k = 0.0698 0.1208 0.6370 ( 2592 PWs) bands (ev): -24.9877 -24.9877 -7.8730 -7.8730 -6.8062 -6.8062 -6.6537 -6.6537 2.1154 2.1154 2.2347 2.2347 2.2835 2.2835 2.3446 2.3446 3.6880 3.6880 3.7645 3.7645 4.0348 4.0348 4.1867 4.1867 4.5627 4.5627 4.6537 4.6537 5.4239 5.4239 8.1358 8.1358 11.0924 11.0924 12.1325 12.1325 13.0932 13.0932 13.2652 13.2652 14.4010 14.4010 k = 0.0620 0.1074 0.6370 ( 2592 PWs) bands (ev): -24.9877 -24.9877 -7.8729 -7.8729 -6.8062 -6.8062 -6.6528 -6.6528 2.1213 2.1213 2.2399 2.2399 2.2807 2.2807 2.3414 2.3414 3.7001 3.7001 3.7645 3.7645 4.0127 4.0127 4.1702 4.1702 4.5668 4.5668 4.6518 4.6518 5.4157 5.4157 8.0902 8.0902 11.2842 11.2842 12.2507 12.2507 13.0801 13.0801 13.3690 13.3690 14.3465 14.3465 k = 0.0543 0.0940 0.6370 ( 2592 PWs) bands (ev): -24.9878 -24.9878 -7.8728 -7.8728 -6.8063 -6.8063 -6.6521 -6.6521 2.1270 2.1270 2.2447 2.2447 2.2783 2.2783 2.3382 2.3382 3.7124 3.7124 3.7650 3.7650 3.9912 3.9912 4.1548 4.1548 4.5711 4.5711 4.6500 4.6500 5.4088 5.4088 8.0493 8.0493 11.4767 11.4767 12.3696 12.3696 13.0668 13.0668 13.4680 13.4680 14.2121 14.2121 k = 0.0465 0.0806 0.6370 ( 2596 PWs) bands (ev): -24.9878 -24.9878 -7.8727 -7.8727 -6.8063 -6.8063 -6.6515 -6.6515 2.1323 2.1323 2.2489 2.2489 2.2760 2.2760 2.3350 2.3350 3.7247 3.7247 3.7659 3.7659 3.9705 3.9705 4.1407 4.1407 4.5754 4.5754 4.6482 4.6482 5.4029 5.4029 8.0135 8.0135 11.6692 11.6692 12.4872 12.4872 13.0571 13.0571 13.5448 13.5448 14.0956 14.0956 k = 0.0388 0.0671 0.6370 ( 2596 PWs) bands (ev): -24.9878 -24.9878 -7.8726 -7.8726 -6.8063 -6.8063 -6.6509 -6.6509 2.1372 2.1372 2.2527 2.2527 2.2741 2.2741 2.3320 2.3320 3.7368 3.7368 3.7672 3.7672 3.9509 3.9509 4.1282 4.1282 4.5795 4.5795 4.6466 4.6466 5.3981 5.3981 7.9828 7.9828 11.8608 11.8608 12.5998 12.5998 13.0537 13.0537 13.5659 13.5659 14.0344 14.0344 k = 0.0310 0.0537 0.6370 ( 2596 PWs) bands (ev): -24.9878 -24.9878 -7.8725 -7.8725 -6.8064 -6.8064 -6.6504 -6.6504 2.1415 2.1415 2.2558 2.2558 2.2725 2.2725 2.3293 2.3293 3.7485 3.7485 3.7688 3.7688 3.9327 3.9327 4.1176 4.1176 4.5831 4.5831 4.6452 4.6452 5.3942 5.3942 7.9575 7.9575 12.0504 12.0504 12.7003 12.7003 13.0609 13.0609 13.5051 13.5051 14.0538 14.0538 k = 0.0233 0.0403 0.6370 ( 2600 PWs) bands (ev): -24.9879 -24.9879 -7.8725 -7.8725 -6.8064 -6.8064 -6.6501 -6.6501 2.1450 2.1450 2.2583 2.2583 2.2712 2.2712 2.3270 2.3270 3.7585 3.7585 3.7711 3.7711 3.9165 3.9165 4.1090 4.1090 4.5862 4.5862 4.6440 4.6440 5.3912 5.3912 7.9377 7.9377 12.2360 12.2360 12.7763 12.7763 13.0849 13.0849 13.3915 13.3915 14.1231 14.1231 k = 0.0155 0.0269 0.6370 ( 2600 PWs) bands (ev): -24.9879 -24.9879 -7.8725 -7.8725 -6.8064 -6.8064 -6.6498 -6.6498 2.1477 2.1477 2.2602 2.2602 2.2702 2.2702 2.3253 2.3253 3.7650 3.7650 3.7752 3.7752 3.9033 3.9033 4.1027 4.1027 4.5885 4.5885 4.6430 4.6430 5.3892 5.3892 7.9234 7.9234 12.4146 12.4146 12.8132 12.8132 13.1270 13.1270 13.2643 13.2643 14.2019 14.2019 k = 0.0078 0.0134 0.6370 ( 2608 PWs) bands (ev): -24.9879 -24.9879 -7.8725 -7.8725 -6.8064 -6.8064 -6.6497 -6.6497 2.1493 2.1493 2.2613 2.2613 2.2696 2.2696 2.3242 2.3242 3.7674 3.7674 3.7803 3.7803 3.8943 3.8943 4.0989 4.0989 4.5900 4.5900 4.6424 4.6424 5.3879 5.3879 7.9148 7.9148 12.5795 12.5795 12.7988 12.7988 13.1574 13.1574 13.1711 13.1711 14.1856 14.1856 k = 0.0000 0.0000 0.6370 ( 2608 PWs) bands (ev): -24.9879 -24.9879 -7.8724 -7.8724 -6.8064 -6.8064 -6.6496 -6.6496 2.1499 2.1499 2.2617 2.2617 2.2693 2.2693 2.3238 2.3238 3.7680 3.7680 3.7824 3.7824 3.8910 3.8910 4.0976 4.0976 4.5905 4.5905 4.6422 4.6422 5.3875 5.3875 7.9119 7.9119 12.7030 12.7030 12.7313 12.7313 13.1147 13.1147 13.1896 13.1896 14.1512 14.1512 k = 0.5000 0.2887 0.6370 ( 2624 PWs) bands (ev): -24.9867 -24.9867 -7.8769 -7.8769 -6.8051 -6.8051 -6.6783 -6.6783 2.0707 2.0707 2.0906 2.0906 2.3156 2.3156 2.3898 2.3898 3.4668 3.4668 3.9053 3.9053 4.3387 4.3387 4.4293 4.4293 4.7502 4.7502 4.8034 4.8034 6.1850 6.1850 7.4815 7.4815 10.0227 10.0227 10.3655 10.3655 10.7333 10.7333 14.3509 14.3509 15.1263 15.1263 k = 0.5000 0.2887 0.6215 ( 2622 PWs) bands (ev): -24.9868 -24.9868 -7.8768 -7.8768 -6.8049 -6.8049 -6.6783 -6.6783 2.0707 2.0707 2.0906 2.0906 2.3157 2.3157 2.3899 2.3899 3.4670 3.4670 3.9053 3.9053 4.3388 4.3388 4.4290 4.4290 4.7493 4.7493 4.8034 4.8034 6.1834 6.1834 7.4766 7.4766 10.0249 10.0249 10.3700 10.3700 10.7395 10.7395 14.3410 14.3410 15.1310 15.1310 k = 0.5000 0.2887 0.6059 ( 2626 PWs) bands (ev): -24.9868 -24.9868 -7.8765 -7.8765 -6.8042 -6.8042 -6.6785 -6.6785 2.0708 2.0708 2.0904 2.0904 2.3159 2.3159 2.3899 2.3899 3.4674 3.4674 3.9054 3.9054 4.3391 4.3391 4.4281 4.4281 4.7469 4.7469 4.8031 4.8031 6.1787 6.1787 7.4619 7.4619 10.0311 10.0311 10.3834 10.3834 10.7580 10.7580 14.3126 14.3126 15.1440 15.1440 k = 0.5000 0.2887 0.5904 ( 2628 PWs) bands (ev): -24.9870 -24.9870 -7.8759 -7.8759 -6.8030 -6.8030 -6.6789 -6.6789 2.0709 2.0709 2.0901 2.0901 2.3163 2.3163 2.3900 2.3900 3.4682 3.4682 3.9055 3.9055 4.3397 4.3397 4.4265 4.4265 4.7429 4.7429 4.8027 4.8027 6.1711 6.1711 7.4379 7.4379 10.0410 10.0410 10.4056 10.4056 10.7887 10.7887 14.2684 14.2684 15.1624 15.1624 k = 0.5000 0.2887 0.5748 ( 2626 PWs) bands (ev): -24.9872 -24.9872 -7.8750 -7.8750 -6.8013 -6.8013 -6.6793 -6.6793 2.0710 2.0710 2.0898 2.0898 2.3169 2.3169 2.3901 2.3901 3.4692 3.4692 3.9057 3.9057 4.3405 4.3405 4.4244 4.4244 4.7373 4.7373 4.8020 4.8020 6.1606 6.1606 7.4053 7.4053 10.0539 10.0539 10.4366 10.4366 10.8314 10.8314 14.2119 14.2119 15.1824 15.1824 k = 0.5000 0.2887 0.5593 ( 2624 PWs) bands (ev): -24.9874 -24.9874 -7.8740 -7.8740 -6.7992 -6.7992 -6.6799 -6.6799 2.0712 2.0712 2.0893 2.0893 2.3176 2.3176 2.3903 2.3903 3.4705 3.4705 3.9059 3.9059 4.3415 4.3415 4.4216 4.4216 4.7303 4.7303 4.8010 4.8010 6.1476 6.1476 7.3651 7.3651 10.0690 10.0690 10.4760 10.4760 10.8856 10.8856 14.1466 14.1466 15.2008 15.2008 k = 0.5000 0.2887 0.5438 ( 2624 PWs) bands (ev): -24.9877 -24.9877 -7.8727 -7.8727 -6.7967 -6.7967 -6.6806 -6.6806 2.0714 2.0714 2.0887 2.0887 2.3184 2.3184 2.3904 2.3904 3.4721 3.4721 3.9061 3.9061 4.3427 4.3427 4.4182 4.4182 4.7220 4.7220 4.7997 4.7997 6.1324 6.1324 7.3182 7.3182 10.0857 10.0857 10.5237 10.5237 10.9506 10.9506 14.0751 14.0751 15.2145 15.2145 k = 0.5000 0.2887 0.5282 ( 2620 PWs) bands (ev): -24.9880 -24.9880 -7.8712 -7.8712 -6.7937 -6.7937 -6.6814 -6.6814 2.0716 2.0716 2.0881 2.0881 2.3193 2.3193 2.3906 2.3906 3.4740 3.4740 3.9064 3.9064 4.3440 4.3440 4.4143 4.4143 4.7124 4.7124 4.7981 4.7981 6.1153 6.1153 7.2657 7.2657 10.1033 10.1033 10.5793 10.5793 11.0254 11.0254 13.9999 13.9999 15.2214 15.2214 k = 0.5000 0.2887 0.5127 ( 2618 PWs) bands (ev): -24.9884 -24.9884 -7.8696 -7.8696 -6.7903 -6.7903 -6.6824 -6.6824 2.0719 2.0719 2.0873 2.0873 2.3204 2.3204 2.3908 2.3908 3.4762 3.4762 3.9067 3.9067 4.3454 4.3454 4.4097 4.4097 4.7015 4.7015 4.7962 4.7962 6.0966 6.0966 7.2085 7.2085 10.1216 10.1216 10.6423 10.6423 11.1090 11.1090 13.9230 13.9230 15.2199 15.2199 k = 0.5000 0.2887 0.4972 ( 2614 PWs) bands (ev): -24.9888 -24.9888 -7.8677 -7.8677 -6.7864 -6.7864 -6.6834 -6.6834 2.0722 2.0722 2.0864 2.0864 2.3216 2.3216 2.3910 2.3910 3.4786 3.4786 3.9070 3.9070 4.3470 4.3470 4.4046 4.4046 4.6896 4.6896 4.7940 4.7940 6.0767 6.0767 7.1477 7.1477 10.1403 10.1403 10.7123 10.7123 11.1999 11.1999 13.8460 13.8460 15.2098 15.2098 k = 0.5000 0.2887 0.4816 ( 2612 PWs) bands (ev): -24.9893 -24.9893 -7.8657 -7.8657 -6.7822 -6.7822 -6.6845 -6.6845 2.0726 2.0726 2.0855 2.0855 2.3229 2.3229 2.3911 2.3911 3.4812 3.4812 3.9072 3.9072 4.3485 4.3485 4.3989 4.3989 4.6766 4.6766 4.7916 4.7916 6.0560 6.0560 7.0840 7.0840 10.1593 10.1593 10.7888 10.7888 11.2965 11.2965 13.7706 13.7706 15.1922 15.1923 k = 0.5000 0.2887 0.4661 ( 2612 PWs) bands (ev): -24.9898 -24.9898 -7.8636 -7.8636 -6.7776 -6.7776 -6.6857 -6.6857 2.0730 2.0730 2.0844 2.0844 2.3242 2.3242 2.3913 2.3913 3.4841 3.4841 3.9075 3.9075 4.3500 4.3500 4.3927 4.3927 4.6627 4.6627 4.7889 4.7889 6.0348 6.0348 7.0182 7.0182 10.1785 10.1785 10.8712 10.8712 11.3973 11.3973 13.6986 13.6986 15.1688 15.1688 k = 0.5000 0.2887 0.4506 ( 2608 PWs) bands (ev): -24.9903 -24.9903 -7.8614 -7.8614 -6.7726 -6.7726 -6.6870 -6.6870 2.0734 2.0734 2.0833 2.0833 2.3256 2.3256 2.3913 2.3913 3.4872 3.4872 3.9077 3.9077 4.3514 4.3514 4.3861 4.3861 4.6480 4.6480 4.7861 4.7861 6.0135 6.0135 6.9511 6.9511 10.1979 10.1979 10.9589 10.9589 11.5000 11.5000 13.6318 13.6318 15.1408 15.1408 k = 0.5000 0.2887 0.4350 ( 2616 PWs) bands (ev): -24.9909 -24.9909 -7.8590 -7.8590 -6.7673 -6.7673 -6.6883 -6.6883 2.0739 2.0739 2.0822 2.0822 2.3271 2.3271 2.3914 2.3914 3.4905 3.4905 3.9078 3.9078 4.3526 4.3526 4.3790 4.3790 4.6326 4.6326 4.7832 4.7832 5.9923 5.9923 6.8831 6.8831 10.2175 10.2175 11.0513 11.0513 11.6025 11.6025 13.5724 13.5724 15.1087 15.1087 k = 0.5000 0.2887 0.4195 ( 2608 PWs) bands (ev): -24.9915 -24.9915 -7.8566 -7.8566 -6.7616 -6.7616 -6.6896 -6.6896 2.0744 2.0744 2.0809 2.0809 2.3286 2.3286 2.3913 2.3913 3.4939 3.4939 3.9079 3.9079 4.3534 4.3534 4.3715 4.3715 4.6169 4.6169 4.7802 4.7802 5.9714 5.9714 6.8149 6.8149 10.2374 10.2374 11.1478 11.1478 11.7020 11.7020 13.5229 13.5229 15.0728 15.0728 k = 0.5000 0.2887 0.4039 ( 2612 PWs) bands (ev): -24.9921 -24.9921 -7.8541 -7.8541 -6.7558 -6.7558 -6.6910 -6.6910 2.0749 2.0749 2.0796 2.0796 2.3301 2.3301 2.3912 2.3912 3.4975 3.4975 3.9079 3.9079 4.3535 4.3535 4.3639 4.3639 4.6010 4.6010 4.7772 4.7772 5.9511 5.9511 6.7469 6.7469 10.2574 10.2574 11.2477 11.2477 11.7954 11.7954 13.4863 13.4863 15.0334 15.0334 k = 0.5000 0.2887 0.3884 ( 2616 PWs) bands (ev): -24.9927 -24.9927 -7.8516 -7.8516 -6.7497 -6.7497 -6.6923 -6.6923 2.0753 2.0753 2.0783 2.0783 2.3316 2.3316 2.3910 2.3910 3.5012 3.5012 3.9078 3.9078 4.3519 4.3519 4.3571 4.3571 4.5851 4.5851 4.7741 4.7741 5.9315 5.9315 6.6794 6.6794 10.2776 10.2776 11.3503 11.3503 11.8791 11.8791 13.4660 13.4660 14.9910 14.9910 k = 0.5000 0.2887 0.3729 ( 2614 PWs) bands (ev): -24.9934 -24.9934 -7.8490 -7.8490 -6.7435 -6.7435 -6.6935 -6.6935 2.0756 2.0756 2.0773 2.0773 2.3331 2.3331 2.3907 2.3907 3.5051 3.5051 3.9076 3.9076 4.3457 4.3457 4.3538 4.3538 4.5698 4.5698 4.7711 4.7711 5.9129 5.9129 6.6127 6.6127 10.2980 10.2980 11.4546 11.4546 11.9500 11.9500 13.4654 13.4654 14.9462 14.9462 k = 0.5000 0.2887 0.3573 ( 2624 PWs) bands (ev): -24.9941 -24.9941 -7.8465 -7.8465 -6.7373 -6.7373 -6.6945 -6.6945 2.0748 2.0748 2.0771 2.0771 2.3345 2.3345 2.3902 2.3902 3.5090 3.5090 3.9072 3.9072 4.3374 4.3374 4.3513 4.3513 4.5552 4.5552 4.7681 4.7681 5.8952 5.8952 6.5472 6.5472 10.3184 10.3184 11.5594 11.5594 12.0057 12.0057 13.4870 13.4870 14.9001 14.9001 k = 0.5000 0.2887 0.3418 ( 2616 PWs) bands (ev): -24.9947 -24.9947 -7.8440 -7.8440 -6.7312 -6.7312 -6.6952 -6.6952 2.0735 2.0735 2.0776 2.0776 2.3360 2.3360 2.3897 2.3897 3.5130 3.5130 3.9068 3.9068 4.3287 4.3287 4.3478 4.3478 4.5419 4.5419 4.7652 4.7652 5.8785 5.8785 6.4831 6.4831 10.3389 10.3389 11.6627 11.6627 12.0461 12.0461 13.5321 13.5321 14.8537 14.8537 k = 0.5000 0.2887 0.3263 ( 2610 PWs) bands (ev): -24.9954 -24.9954 -7.8414 -7.8414 -6.7257 -6.7257 -6.6954 -6.6954 2.0720 2.0720 2.0782 2.0782 2.3374 2.3374 2.3891 2.3891 3.5170 3.5170 3.9061 3.9061 4.3200 4.3200 4.3428 4.3428 4.5301 4.5301 4.7624 4.7624 5.8629 5.8629 6.4206 6.4206 10.3593 10.3593 11.7603 11.7603 12.0751 12.0751 13.5994 13.5994 14.8084 14.8084 k = 0.5000 0.2887 0.3107 ( 2614 PWs) bands (ev): -24.9961 -24.9961 -7.8390 -7.8390 -6.7210 -6.7210 -6.6945 -6.6945 2.0704 2.0704 2.0789 2.0789 2.3387 2.3387 2.3883 2.3883 3.5210 3.5210 3.9054 3.9054 4.3112 4.3112 4.3362 4.3362 4.5201 4.5201 4.7597 4.7597 5.8484 5.8484 6.3599 6.3599 10.3796 10.3796 11.8433 11.8433 12.1035 12.1035 13.6858 13.6858 14.7657 14.7657 k = 0.5000 0.2887 0.2952 ( 2618 PWs) bands (ev): -24.9968 -24.9968 -7.8366 -7.8366 -6.7177 -6.7177 -6.6921 -6.6921 2.0689 2.0689 2.0795 2.0795 2.3400 2.3400 2.3875 2.3875 3.5250 3.5250 3.9044 3.9044 4.3024 4.3024 4.3279 4.3279 4.5120 4.5120 4.7572 4.7572 5.8350 5.8350 6.3012 6.3012 10.3998 10.3998 11.8957 11.8957 12.1495 12.1495 13.7863 13.7863 14.7276 14.7276 k = 0.5000 0.2887 0.2797 ( 2616 PWs) bands (ev): -24.9975 -24.9975 -7.8343 -7.8343 -6.7160 -6.7160 -6.6881 -6.6881 2.0673 2.0673 2.0802 2.0802 2.3412 2.3412 2.3865 2.3865 3.5289 3.5289 3.9034 3.9034 4.2937 4.2937 4.3182 4.3182 4.5060 4.5060 4.7547 4.7547 5.8227 5.8227 6.2446 6.2446 10.4196 10.4196 11.9098 11.9098 12.2237 12.2237 13.8948 13.8948 14.6972 14.6972 k = 0.5000 0.2887 0.2641 ( 2620 PWs) bands (ev): -24.9982 -24.9982 -7.8320 -7.8320 -6.7155 -6.7155 -6.6829 -6.6829 2.0657 2.0657 2.0809 2.0809 2.3423 2.3423 2.3854 2.3854 3.5328 3.5328 3.9022 3.9022 4.2851 4.2851 4.3074 4.3074 4.5017 4.5017 4.7525 4.7525 5.8114 5.8114 6.1903 6.1903 10.4390 10.4390 11.8975 11.8975 12.3166 12.3166 14.0027 14.0027 14.6795 14.6795 k = 0.5000 0.2887 0.2486 ( 2624 PWs) bands (ev): -24.9988 -24.9988 -7.8299 -7.8299 -6.7159 -6.7159 -6.6769 -6.6769 2.0642 2.0642 2.0816 2.0816 2.3433 2.3433 2.3842 2.3842 3.5365 3.5365 3.9008 3.9008 4.2766 4.2766 4.2959 4.2959 4.4989 4.4989 4.7503 4.7503 5.8011 5.8011 6.1383 6.1383 10.4580 10.4580 11.8712 11.8712 12.4176 12.4176 14.0985 14.0985 14.6814 14.6814 k = 0.5000 0.2887 0.2330 ( 2624 PWs) bands (ev): -24.9995 -24.9995 -7.8278 -7.8278 -6.7166 -6.7166 -6.6706 -6.6706 2.0627 2.0627 2.0823 2.0823 2.3443 2.3443 2.3829 2.3829 3.5401 3.5401 3.8994 3.8994 4.2680 4.2680 4.2843 4.2843 4.4975 4.4975 4.7483 4.7483 5.7917 5.7917 6.0889 6.0889 10.4763 10.4763 11.8379 11.8379 12.5211 12.5211 14.1688 14.1688 14.7046 14.7046 k = 0.5000 0.2887 0.2175 ( 2620 PWs) bands (ev): -25.0001 -25.0001 -7.8259 -7.8259 -6.7176 -6.7176 -6.6641 -6.6641 2.0612 2.0612 2.0830 2.0830 2.3452 2.3452 2.3815 2.3815 3.5435 3.5435 3.8979 3.8979 4.2589 4.2589 4.2733 4.2733 4.4970 4.4970 4.7465 4.7465 5.7832 5.7832 6.0421 6.0421 10.4941 10.4941 11.8012 11.8012 12.6243 12.6243 14.2065 14.2065 14.7220 14.7220 k = 0.5000 0.2887 0.2020 ( 2624 PWs) bands (ev): -25.0007 -25.0007 -7.8241 -7.8241 -6.7187 -6.7187 -6.6577 -6.6577 2.0598 2.0598 2.0836 2.0836 2.3460 2.3460 2.3801 2.3801 3.5468 3.5468 3.8963 3.8963 4.2490 4.2490 4.2638 4.2638 4.4973 4.4973 4.7447 4.7447 5.7754 5.7754 5.9980 5.9980 10.5110 10.5110 11.7631 11.7631 12.7257 12.7257 14.2168 14.2168 14.7150 14.7150 k = 0.5000 0.2887 0.1864 ( 2618 PWs) bands (ev): -25.0013 -25.0013 -7.8224 -7.8224 -6.7199 -6.7199 -6.6515 -6.6515 2.0584 2.0584 2.0843 2.0843 2.3468 2.3468 2.3786 2.3786 3.5498 3.5498 3.8947 3.8947 4.2384 4.2384 4.2558 4.2558 4.4982 4.4982 4.7432 4.7432 5.7684 5.7684 5.9568 5.9568 10.5271 10.5271 11.7252 11.7252 12.8239 12.8239 14.2104 14.2104 14.6995 14.6995 k = 0.5000 0.2887 0.1709 ( 2614 PWs) bands (ev): -25.0018 -25.0018 -7.8208 -7.8208 -6.7210 -6.7210 -6.6455 -6.6455 2.0571 2.0571 2.0849 2.0849 2.3475 2.3475 2.3770 2.3770 3.5525 3.5525 3.8931 3.8931 4.2275 4.2275 4.2490 4.2490 4.4995 4.4995 4.7417 4.7417 5.7621 5.7621 5.9186 5.9186 10.5423 10.5423 11.6882 11.6882 12.9180 12.9180 14.1955 14.1955 14.6823 14.6823 k = 0.5000 0.2887 0.1554 ( 2614 PWs) bands (ev): -25.0023 -25.0023 -7.8194 -7.8194 -6.7221 -6.7221 -6.6398 -6.6398 2.0558 2.0558 2.0855 2.0855 2.3482 2.3482 2.3755 2.3755 3.5551 3.5551 3.8915 3.8915 4.2170 4.2170 4.2431 4.2431 4.5010 4.5010 4.7404 4.7404 5.7563 5.7563 5.8835 5.8835 10.5564 10.5564 11.6530 11.6530 13.0072 13.0072 14.1771 14.1771 14.6654 14.6654 k = 0.5000 0.2887 0.1398 ( 2620 PWs) bands (ev): -25.0027 -25.0027 -7.8181 -7.8181 -6.7231 -6.7231 -6.6345 -6.6345 2.0547 2.0547 2.0860 2.0860 2.3488 2.3488 2.3739 2.3739 3.5574 3.5574 3.8899 3.8899 4.2071 4.2071 4.2380 4.2380 4.5026 4.5026 4.7393 4.7393 5.7509 5.7509 5.8518 5.8518 10.5695 10.5695 11.6201 11.6201 13.0904 13.0904 14.1578 14.1578 14.6496 14.6496 k = 0.5000 0.2887 0.1243 ( 2620 PWs) bands (ev): -25.0032 -25.0032 -7.8169 -7.8169 -6.7241 -6.7241 -6.6296 -6.6296 2.0536 2.0536 2.0865 2.0865 2.3494 2.3494 2.3724 2.3724 3.5594 3.5594 3.8885 3.8885 4.1980 4.1980 4.2335 4.2335 4.5043 4.5043 4.7382 4.7382 5.7457 5.7457 5.8236 5.8236 10.5814 10.5814 11.5898 11.5898 13.1671 13.1671 14.1392 14.1392 14.6352 14.6352 k = 0.5000 0.2887 0.1088 ( 2636 PWs) bands (ev): -25.0035 -25.0035 -7.8159 -7.8159 -6.7249 -6.7249 -6.6252 -6.6252 2.0527 2.0527 2.0870 2.0870 2.3500 2.3500 2.3709 2.3709 3.5611 3.5611 3.8872 3.8872 4.1899 4.1899 4.2296 4.2296 4.5059 4.5059 4.7373 4.7373 5.7403 5.7403 5.7994 5.7994 10.5920 10.5920 11.5625 11.5625 13.2362 13.2362 14.1223 14.1223 14.6223 14.6223 k = 0.5000 0.2887 0.0932 ( 2636 PWs) bands (ev): -25.0039 -25.0039 -7.8150 -7.8150 -6.7257 -6.7257 -6.6212 -6.6212 2.0518 2.0518 2.0874 2.0874 2.3506 2.3506 2.3694 2.3694 3.5626 3.5626 3.8860 3.8860 4.1827 4.1827 4.2263 4.2263 4.5075 4.5075 4.7365 4.7365 5.7342 5.7342 5.7798 5.7798 10.6014 10.6014 11.5384 11.5384 13.2973 13.2973 14.1075 14.1075 14.6110 14.6110 k = 0.5000 0.2887 0.0777 ( 2636 PWs) bands (ev): -25.0042 -25.0042 -7.8142 -7.8142 -6.7264 -6.7264 -6.6179 -6.6179 2.0511 2.0511 2.0877 2.0877 2.3511 2.3511 2.3681 2.3681 3.5639 3.5639 3.8849 3.8849 4.1766 4.1766 4.2235 4.2235 4.5088 4.5088 4.7358 4.7358 5.7267 5.7267 5.7654 5.7654 10.6094 10.6094 11.5177 11.5177 13.3496 13.3496 14.0953 14.0953 14.6015 14.6015 k = 0.5000 0.2887 0.0621 ( 2630 PWs) bands (ev): -25.0044 -25.0044 -7.8136 -7.8136 -6.7269 -6.7269 -6.6151 -6.6151 2.0505 2.0505 2.0880 2.0880 2.3516 2.3516 2.3670 2.3670 3.5649 3.5649 3.8841 3.8841 4.1716 4.1716 4.2213 4.2213 4.5100 4.5100 4.7353 4.7353 5.7181 5.7181 5.7562 5.7562 10.6161 10.6161 11.5006 11.5006 13.3928 13.3928 14.0855 14.0855 14.5937 14.5937 k = 0.5000 0.2887 0.0466 ( 2618 PWs) bands (ev): -25.0046 -25.0046 -7.8131 -7.8131 -6.7274 -6.7274 -6.6128 -6.6128 2.0501 2.0501 2.0882 2.0882 2.3521 2.3521 2.3660 2.3660 3.5657 3.5657 3.8834 3.8834 4.1677 4.1677 4.2195 4.2195 4.5110 4.5110 4.7349 4.7349 5.7096 5.7096 5.7507 5.7507 10.6213 10.6213 11.4872 11.4872 13.4266 13.4266 14.0783 14.0783 14.5877 14.5877 k = 0.5000 0.2887 0.0311 ( 2618 PWs) bands (ev): -25.0047 -25.0047 -7.8128 -7.8128 -6.7277 -6.7277 -6.6113 -6.6113 2.0497 2.0497 2.0884 2.0884 2.3525 2.3525 2.3652 2.3652 3.5662 3.5662 3.8829 3.8829 4.1649 4.1649 4.2183 4.2183 4.5117 4.5117 4.7346 4.7346 5.7027 5.7027 5.7476 5.7476 10.6250 10.6250 11.4776 11.4776 13.4507 13.4507 14.0734 14.0734 14.5834 14.5834 k = 0.5000 0.2887 0.0155 ( 2614 PWs) bands (ev): -25.0048 -25.0048 -7.8126 -7.8126 -6.7279 -6.7279 -6.6103 -6.6103 2.0495 2.0495 2.0885 2.0885 2.3527 2.3527 2.3647 2.3647 3.5665 3.5665 3.8826 3.8826 4.1632 4.1632 4.2176 4.2176 4.5121 4.5121 4.7344 4.7344 5.6983 5.6983 5.7460 5.7460 10.6273 10.6273 11.4718 11.4718 13.4652 13.4652 14.0705 14.0705 14.5808 14.5808 k = 0.5000 0.2887-0.0000 ( 2614 PWs) bands (ev): -25.0048 -25.0048 -7.8125 -7.8125 -6.7279 -6.7279 -6.6100 -6.6100 2.0494 2.0494 2.0885 2.0885 2.3528 2.3528 2.3645 2.3645 3.5666 3.5666 3.8825 3.8825 4.1626 4.1626 4.2173 4.2173 4.5123 4.5123 4.7343 4.7343 5.6968 5.6968 5.7455 5.7455 10.6280 10.6280 11.4698 11.4698 13.4700 13.4700 14.0696 14.0696 14.5799 14.5799 k = 0.3333 0.5774-0.0000 ( 2628 PWs) bands (ev): -25.0046 -25.0046 -7.8143 -7.8143 -6.7305 -6.7305 -6.6134 -6.6134 1.9771 1.9771 2.0898 2.0898 2.3605 2.3605 2.3895 2.3895 3.5206 3.5206 3.9739 3.9739 4.0127 4.0127 4.2142 4.2142 4.5629 4.5629 5.0658 5.0658 5.8634 5.8634 6.0696 6.0696 8.2620 8.2620 13.2873 13.2873 13.9504 13.9504 14.3547 14.3547 14.3810 14.3810 k = 0.3333 0.5774 0.0155 ( 2625 PWs) bands (ev): -25.0046 -25.0046 -7.8144 -7.8144 -6.7304 -6.7304 -6.6137 -6.6137 1.9772 1.9772 2.0898 2.0898 2.3605 2.3605 2.3895 2.3895 3.5207 3.5207 3.9734 3.9734 4.0133 4.0133 4.2149 4.2149 4.5628 4.5628 5.0658 5.0658 5.8638 5.8638 6.0697 6.0697 8.2644 8.2644 13.2897 13.2897 13.9378 13.9378 14.2848 14.2848 14.4479 14.4479 k = 0.3333 0.5774 0.0311 ( 2625 PWs) bands (ev): -25.0045 -25.0045 -7.8146 -7.8146 -6.7302 -6.7302 -6.6146 -6.6146 1.9775 1.9775 2.0899 2.0899 2.3608 2.3608 2.3893 2.3893 3.5212 3.5212 3.9721 3.9721 4.0152 4.0152 4.2167 4.2167 4.5625 4.5625 5.0658 5.0658 5.8651 5.8651 6.0702 6.0702 8.2716 8.2716 13.2969 13.2969 13.9023 13.9023 14.2003 14.2003 14.4966 14.4966 k = 0.3333 0.5774 0.0466 ( 2625 PWs) bands (ev): -25.0044 -25.0044 -7.8149 -7.8149 -6.7299 -6.7299 -6.6162 -6.6162 1.9780 1.9780 2.0900 2.0900 2.3612 2.3612 2.3891 2.3891 3.5221 3.5221 3.9701 3.9701 4.0182 4.0182 4.2198 4.2198 4.5621 4.5621 5.0657 5.0657 5.8671 5.8671 6.0711 6.0711 8.2836 8.2836 13.3088 13.3088 13.8494 13.8494 14.1124 14.1124 14.5354 14.5354 k = 0.3333 0.5774 0.0621 ( 2625 PWs) bands (ev): -25.0042 -25.0042 -7.8154 -7.8154 -6.7294 -6.7294 -6.6185 -6.6185 1.9787 1.9787 2.0902 2.0902 2.3618 2.3618 2.3888 2.3888 3.5232 3.5232 3.9676 3.9676 4.0219 4.0219 4.2240 4.2240 4.5616 4.5616 5.0657 5.0657 5.8700 5.8700 6.0723 6.0723 8.3003 8.3003 13.3254 13.3254 13.7838 13.7838 14.0215 14.0215 14.5812 14.5812 k = 0.3333 0.5774 0.0777 ( 2619 PWs) bands (ev): -25.0039 -25.0039 -7.8160 -7.8160 -6.7288 -6.7288 -6.6213 -6.6213 1.9796 1.9796 2.0904 2.0904 2.3625 2.3625 2.3884 2.3884 3.5247 3.5247 3.9649 3.9649 4.0264 4.0264 4.2295 4.2295 4.5609 4.5609 5.0656 5.0656 5.8738 5.8738 6.0739 6.0739 8.3217 8.3217 13.3464 13.3464 13.7090 13.7090 13.9278 13.9278 14.6310 14.6310 k = 0.3333 0.5774 0.0932 ( 2631 PWs) bands (ev): -25.0037 -25.0037 -7.8168 -7.8168 -6.7280 -6.7280 -6.6247 -6.6247 1.9807 1.9807 2.0907 2.0907 2.3633 2.3633 2.3878 2.3878 3.5264 3.5264 3.9619 3.9619 4.0315 4.0315 4.2362 4.2362 4.5600 4.5600 5.0656 5.0656 5.8785 5.8785 6.0759 6.0759 8.3476 8.3476 13.3715 13.3715 13.6272 13.6272 13.8317 13.8317 14.6826 14.6826 k = 0.3333 0.5774 0.1088 ( 2637 PWs) bands (ev): -25.0033 -25.0033 -7.8176 -7.8176 -6.7272 -6.7272 -6.6287 -6.6287 1.9819 1.9819 2.0911 2.0911 2.3643 2.3643 2.3872 2.3872 3.5284 3.5284 3.9589 3.9589 4.0370 4.0370 4.2442 4.2442 4.5590 4.5590 5.0655 5.0655 5.8842 5.8842 6.0784 6.0784 8.3781 8.3781 13.3996 13.3996 13.5397 13.5397 13.7342 13.7342 14.7351 14.7351 k = 0.3333 0.5774 0.1243 ( 2643 PWs) bands (ev): -25.0030 -25.0030 -7.8187 -7.8187 -6.7262 -6.7262 -6.6332 -6.6332 1.9833 1.9833 2.0914 2.0914 2.3653 2.3653 2.3863 2.3863 3.5305 3.5305 3.9557 3.9557 4.0430 4.0430 4.2533 4.2533 4.5579 4.5579 5.0654 5.0654 5.8909 5.8909 6.0814 6.0814 8.4129 8.4129 13.4275 13.4275 13.4475 13.4475 13.6387 13.6387 14.7877 14.7877 k = 0.3333 0.5774 0.1398 ( 2637 PWs) bands (ev): -25.0025 -25.0025 -7.8198 -7.8198 -6.7251 -6.7251 -6.6382 -6.6382 1.9848 1.9848 2.0919 2.0919 2.3665 2.3665 2.3854 2.3854 3.5329 3.5329 3.9526 3.9526 4.0494 4.0494 4.2635 4.2635 4.5567 4.5567 5.0653 5.0653 5.8986 5.8986 6.0849 6.0849 8.4520 8.4520 13.3512 13.3512 13.4371 13.4371 13.5632 13.5632 14.8402 14.8402 k = 0.3333 0.5774 0.1554 ( 2625 PWs) bands (ev): -25.0021 -25.0021 -7.8211 -7.8211 -6.7238 -6.7238 -6.6436 -6.6436 1.9865 1.9865 2.0923 2.0923 2.3677 2.3677 2.3842 2.3842 3.5354 3.5354 3.9494 3.9494 4.0562 4.0562 4.2749 4.2749 4.5554 4.5554 5.0652 5.0652 5.9075 5.9075 6.0891 6.0891 8.4952 8.4952 13.2513 13.2513 13.3785 13.3785 13.5577 13.5577 14.8923 14.8923 k = 0.3333 0.5774 0.1709 ( 2610 PWs) bands (ev): -25.0016 -25.0016 -7.8225 -7.8225 -6.7225 -6.7225 -6.6494 -6.6494 1.9883 1.9883 2.0928 2.0928 2.3691 2.3691 2.3829 2.3829 3.5380 3.5380 3.9462 3.9462 4.0634 4.0634 4.2874 4.2874 4.5541 4.5541 5.0650 5.0650 5.9175 5.9175 6.0939 6.0939 8.5423 8.5423 13.1483 13.1483 13.2794 13.2794 13.5945 13.5945 14.9438 14.9438 k = 0.3333 0.5774 0.1864 ( 2610 PWs) bands (ev): -25.0011 -25.0011 -7.8241 -7.8241 -6.7211 -6.7211 -6.6556 -6.6556 1.9902 1.9902 2.0934 2.0934 2.3704 2.3704 2.3814 2.3814 3.5407 3.5407 3.9430 3.9430 4.0708 4.0708 4.3009 4.3009 4.5527 4.5527 5.0648 5.0648 5.9288 5.9288 6.0994 6.0994 8.5931 8.5931 13.0426 13.0426 13.1706 13.1706 13.6429 13.6429 14.9948 14.9948 k = 0.3333 0.5774 0.2020 ( 2616 PWs) bands (ev): -25.0005 -25.0005 -7.8257 -7.8257 -6.7196 -6.7196 -6.6621 -6.6621 1.9923 1.9923 2.0940 2.0940 2.3718 2.3718 2.3797 2.3797 3.5435 3.5435 3.9398 3.9398 4.0786 4.0786 4.3154 4.3154 4.5513 4.5513 5.0647 5.0647 5.9414 5.9414 6.1056 6.1056 8.6475 8.6475 12.9344 12.9344 13.0576 13.0576 13.6972 13.6972 15.0452 15.0452 k = 0.3333 0.5774 0.2175 ( 2613 PWs) bands (ev): -24.9999 -24.9999 -7.8275 -7.8275 -6.7181 -6.7181 -6.6689 -6.6689 1.9944 1.9944 2.0946 2.0946 2.3733 2.3733 2.3778 2.3778 3.5463 3.5463 3.9366 3.9366 4.0866 4.0866 4.3308 4.3308 4.5498 4.5498 5.0645 5.0645 5.9553 5.9553 6.1128 6.1128 8.7052 8.7052 12.8242 12.8242 12.9423 12.9423 13.7558 13.7558 15.0950 15.0950 k = 0.3333 0.5774 0.2330 ( 2613 PWs) bands (ev): -24.9993 -24.9993 -7.8294 -7.8294 -6.7164 -6.7164 -6.6759 -6.6759 1.9966 1.9966 2.0952 2.0952 2.3747 2.3747 2.3756 2.3756 3.5490 3.5490 3.9335 3.9335 4.0948 4.0948 4.3471 4.3471 4.5484 4.5484 5.0642 5.0642 5.9706 5.9706 6.1208 6.1208 8.7661 8.7661 12.7122 12.7122 12.8253 12.8253 13.8179 13.8179 15.1439 15.1439 k = 0.3333 0.5774 0.2486 ( 2613 PWs) bands (ev): -24.9986 -24.9986 -7.8314 -7.8314 -6.7147 -6.7147 -6.6831 -6.6831 1.9988 1.9988 2.0958 2.0958 2.3733 2.3733 2.3761 2.3761 3.5518 3.5518 3.9304 3.9304 4.1032 4.1032 4.3641 4.3641 4.5470 4.5470 5.0640 5.0640 5.9874 5.9874 6.1299 6.1299 8.8299 8.8299 12.5989 12.5989 12.7071 12.7071 13.8830 13.8830 15.1920 15.1920 k = 0.3333 0.5774 0.2641 ( 2607 PWs) bands (ev): -24.9980 -24.9980 -7.8335 -7.8335 -6.7130 -6.7130 -6.6904 -6.6904 2.0011 2.0011 2.0965 2.0965 2.3708 2.3708 2.3775 2.3775 3.5544 3.5544 3.9273 3.9273 4.1116 4.1116 4.3817 4.3817 4.5456 4.5456 5.0637 5.0637 6.0057 6.0057 6.1400 6.1400 8.8962 8.8962 12.4846 12.4846 12.5882 12.5882 13.9504 13.9504 15.2391 15.2391 k = 0.3333 0.5774 0.2797 ( 2601 PWs) bands (ev): -24.9973 -24.9973 -7.8357 -7.8357 -6.7112 -6.7112 -6.6978 -6.6978 2.0034 2.0034 2.0971 2.0971 2.3681 2.3681 2.3789 2.3789 3.5570 3.5570 3.9242 3.9242 4.1201 4.1201 4.3999 4.3999 4.5443 4.5443 5.0635 5.0635 6.0254 6.0254 6.1511 6.1511 8.9649 8.9649 12.3697 12.3697 12.4690 12.4690 14.0196 14.0196 15.2847 15.2847 k = 0.3333 0.5774 0.2952 ( 2613 PWs) bands (ev): -24.9966 -24.9966 -7.8380 -7.8380 -6.7094 -6.7094 -6.7052 -6.7052 2.0058 2.0058 2.0978 2.0978 2.3652 2.3652 2.3802 2.3802 3.5595 3.5595 3.9212 3.9212 4.1286 4.1286 4.4184 4.4184 4.5431 4.5431 5.0632 5.0632 6.0467 6.0467 6.1635 6.1635 9.0356 9.0356 12.2545 12.2545 12.3498 12.3498 14.0899 14.0899 15.3287 15.3287 k = 0.3333 0.5774 0.3107 ( 2613 PWs) bands (ev): -24.9960 -24.9960 -7.8404 -7.8404 -6.7126 -6.7126 -6.7075 -6.7075 2.0081 2.0081 2.0985 2.0985 2.3622 2.3622 2.3815 2.3815 3.5619 3.5619 3.9183 3.9183 4.1370 4.1370 4.4372 4.4372 4.5419 4.5419 5.0629 5.0629 6.0695 6.0695 6.1770 6.1770 9.1080 9.1080 12.1395 12.1395 12.2312 12.2312 14.1607 14.1607 15.3704 15.3704 k = 0.3333 0.5774 0.3263 ( 2607 PWs) bands (ev): -24.9953 -24.9953 -7.8428 -7.8428 -6.7200 -6.7200 -6.7057 -6.7057 2.0104 2.0104 2.0992 2.0992 2.3590 2.3590 2.3827 2.3827 3.5642 3.5642 3.9154 3.9154 4.1452 4.1452 4.4562 4.4562 4.5409 4.5409 5.0626 5.0626 6.0937 6.0937 6.1918 6.1918 9.1817 9.1817 12.0250 12.0250 12.1135 12.1135 14.2309 14.2309 15.4090 15.4090 k = 0.3333 0.5774 0.3418 ( 2607 PWs) bands (ev): -24.9946 -24.9946 -7.8453 -7.8453 -6.7272 -6.7272 -6.7039 -6.7039 2.0127 2.0127 2.0998 2.0998 2.3558 2.3558 2.3839 2.3839 3.5664 3.5664 3.9126 3.9126 4.1532 4.1532 4.4751 4.4751 4.5399 4.5399 5.0623 5.0623 6.1194 6.1194 6.2078 6.2078 9.2564 9.2564 11.9115 11.9115 11.9973 11.9973 14.2998 14.2998 15.4436 15.4436 k = 0.3333 0.5774 0.3573 ( 2607 PWs) bands (ev): -24.9939 -24.9939 -7.8477 -7.8477 -6.7342 -6.7342 -6.7020 -6.7020 2.0150 2.0150 2.1005 2.1005 2.3524 2.3524 2.3850 2.3850 3.5684 3.5684 3.9099 3.9099 4.1610 4.1610 4.4938 4.4938 4.5391 4.5391 5.0620 5.0620 6.1464 6.1464 6.2249 6.2249 9.3316 9.3316 11.7993 11.7993 11.8829 11.8829 14.3661 14.3661 15.4727 15.4727 k = 0.3333 0.5774 0.3729 ( 2601 PWs) bands (ev): -24.9932 -24.9932 -7.8503 -7.8503 -6.7411 -6.7411 -6.7003 -6.7003 2.0172 2.0172 2.1012 2.1012 2.3490 2.3490 2.3860 2.3860 3.5703 3.5703 3.9072 3.9072 4.1685 4.1685 4.5123 4.5123 4.5383 4.5383 5.0617 5.0617 6.1746 6.1746 6.2432 6.2432 9.4069 9.4069 11.6890 11.6890 11.7709 11.7709 14.4287 14.4287 15.4945 15.4945 k = 0.3333 0.5774 0.3884 ( 2601 PWs) bands (ev): -24.9926 -24.9926 -7.8528 -7.8528 -6.7478 -6.7478 -6.6985 -6.6985 2.0193 2.0193 2.1018 2.1018 2.3455 2.3455 2.3870 2.3870 3.5720 3.5720 3.9046 3.9046 4.1756 4.1756 4.5303 4.5303 4.5377 4.5377 5.0614 5.0614 6.2039 6.2039 6.2626 6.2626 9.4818 9.4818 11.5809 11.5809 11.6618 11.6618 14.4863 14.4863 15.5073 15.5073 k = 0.3333 0.5774 0.4039 ( 2610 PWs) bands (ev): -24.9919 -24.9919 -7.8552 -7.8552 -6.7542 -6.7542 -6.6968 -6.6968 2.0213 2.0213 2.1024 2.1024 2.3421 2.3421 2.3879 2.3879 3.5736 3.5736 3.9022 3.9022 4.1823 4.1823 4.5372 4.5372 4.5477 4.5477 5.0611 5.0611 6.2341 6.2341 6.2830 6.2830 9.5557 9.5557 11.4755 11.4755 11.5563 11.5563 14.5377 14.5377 15.5098 15.5098 k = 0.3333 0.5774 0.4195 ( 2598 PWs) bands (ev): -24.9913 -24.9913 -7.8577 -7.8577 -6.7603 -6.7603 -6.6951 -6.6951 2.0233 2.0233 2.1030 2.1030 2.3387 2.3387 2.3887 2.3887 3.5751 3.5751 3.8998 3.8998 4.1886 4.1886 4.5367 4.5367 4.5644 4.5644 5.0609 5.0609 6.2649 6.2649 6.3042 6.3042 9.6280 9.6280 11.3734 11.3734 11.4549 11.4549 14.5816 14.5816 15.5020 15.5020 k = 0.3333 0.5774 0.4350 ( 2607 PWs) bands (ev): -24.9907 -24.9907 -7.8601 -7.8601 -6.7661 -6.7661 -6.6936 -6.6936 2.0252 2.0252 2.1036 2.1036 2.3354 2.3354 2.3894 2.3894 3.5765 3.5765 3.8976 3.8976 4.1944 4.1944 4.5364 4.5364 4.5803 4.5803 5.0606 5.0606 6.2961 6.2961 6.3260 6.3260 9.6980 9.6980 11.2750 11.2750 11.3583 11.3583 14.6171 14.6171 15.4855 15.4856 k = 0.3333 0.5774 0.4506 ( 2607 PWs) bands (ev): -24.9901 -24.9901 -7.8624 -7.8624 -6.7716 -6.7716 -6.6920 -6.6920 2.0270 2.0270 2.1041 2.1041 2.3321 2.3321 2.3901 2.3901 3.5777 3.5777 3.8955 3.8955 4.1998 4.1998 4.5362 4.5362 4.5954 4.5954 5.0603 5.0603 6.3274 6.3274 6.3482 6.3482 9.7650 9.7650 11.1808 11.1808 11.2673 11.2673 14.6436 14.6436 15.4630 15.4630 k = 0.3333 0.5774 0.4661 ( 2607 PWs) bands (ev): -24.9896 -24.9896 -7.8646 -7.8646 -6.7767 -6.7767 -6.6906 -6.6906 2.0286 2.0286 2.1046 2.1046 2.3290 2.3290 2.3907 2.3907 3.5788 3.5788 3.8936 3.8936 4.2047 4.2047 4.5360 4.5360 4.6094 4.6094 5.0601 5.0601 6.3585 6.3585 6.3705 6.3705 9.8281 9.8281 11.0914 11.0914 11.1826 11.1826 14.6611 14.6611 15.4370 15.4370 k = 0.3333 0.5774 0.4816 ( 2619 PWs) bands (ev): -24.9891 -24.9891 -7.8667 -7.8667 -6.7814 -6.7814 -6.6893 -6.6893 2.0302 2.0302 2.1051 2.1051 2.3260 2.3260 2.3913 2.3913 3.5798 3.5798 3.8918 3.8918 4.2091 4.2091 4.5359 4.5359 4.6223 4.6223 5.0599 5.0599 6.3890 6.3890 6.3927 6.3927 9.8865 9.8865 11.0073 11.0073 11.1051 11.1051 14.6698 14.6698 15.4096 15.4097 k = 0.3333 0.5774 0.4972 ( 2619 PWs) bands (ev): -24.9887 -24.9887 -7.8686 -7.8686 -6.7857 -6.7857 -6.6881 -6.6881 2.0316 2.0316 2.1056 2.1056 2.3233 2.3233 2.3917 2.3917 3.5807 3.5807 3.8901 3.8901 4.2131 4.2131 4.5358 4.5358 4.6342 4.6342 5.0597 5.0597 6.4144 6.4144 6.4185 6.4185 9.9392 9.9392 10.9290 10.9290 11.0356 11.0356 14.6708 14.6708 15.3824 15.3825 k = 0.3333 0.5774 0.5127 ( 2613 PWs) bands (ev): -24.9882 -24.9882 -7.8704 -7.8704 -6.7896 -6.7896 -6.6869 -6.6869 2.0329 2.0329 2.1060 2.1060 2.3207 2.3207 2.3922 2.3922 3.5815 3.5815 3.8886 3.8886 4.2166 4.2166 4.5358 4.5358 4.6449 4.6449 5.0595 5.0595 6.4353 6.4353 6.4465 6.4465 9.9855 9.9855 10.8571 10.8571 10.9748 10.9748 14.6653 14.6653 15.3565 15.3566 k = 0.3333 0.5774 0.5282 ( 2613 PWs) bands (ev): -24.9879 -24.9879 -7.8720 -7.8720 -6.7931 -6.7931 -6.6859 -6.6859 2.0340 2.0340 2.1063 2.1063 2.3184 2.3184 2.3925 2.3925 3.5822 3.5822 3.8872 3.8872 4.2196 4.2196 4.5358 4.5358 4.6543 4.6543 5.0593 5.0593 6.4549 6.4549 6.4727 6.4727 10.0245 10.0245 10.7921 10.7921 10.9233 10.9233 14.6550 14.6550 15.3327 15.3327 k = 0.3333 0.5774 0.5438 ( 2613 PWs) bands (ev): -24.9875 -24.9875 -7.8735 -7.8735 -6.7961 -6.7961 -6.6851 -6.6851 2.0350 2.0350 2.1066 2.1066 2.3164 2.3164 2.3928 2.3928 3.5827 3.5827 3.8861 3.8861 4.2222 4.2222 4.5358 4.5358 4.6626 4.6626 5.0592 5.0592 6.4729 6.4729 6.4965 6.4965 10.0560 10.0560 10.7345 10.7345 10.8815 10.8815 14.6417 14.6417 15.3114 15.3114 k = 0.3333 0.5774 0.5593 ( 2613 PWs) bands (ev): -24.9872 -24.9872 -7.8747 -7.8747 -6.7987 -6.7987 -6.6843 -6.6843 2.0359 2.0359 2.1069 2.1069 2.3146 2.3146 2.3931 2.3931 3.5832 3.5832 3.8851 3.8851 4.2244 4.2244 4.5359 4.5359 4.6696 4.6696 5.0591 5.0591 6.4889 6.4889 6.5176 6.5176 10.0799 10.0799 10.6849 10.6849 10.8492 10.8492 14.6269 14.6269 15.2929 15.2929 k = 0.3333 0.5774 0.5748 ( 2613 PWs) bands (ev): -24.9870 -24.9870 -7.8758 -7.8758 -6.8008 -6.8008 -6.6837 -6.6837 2.0366 2.0366 2.1071 2.1071 2.3131 2.3131 2.3933 2.3933 3.5836 3.5836 3.8842 3.8842 4.2262 4.2262 4.5359 4.5359 4.6753 4.6753 5.0590 5.0590 6.5026 6.5026 6.5355 6.5355 10.0968 10.0968 10.6435 10.6435 10.8255 10.8255 14.6124 14.6124 15.2776 15.2776 k = 0.3333 0.5774 0.5904 ( 2604 PWs) bands (ev): -24.9868 -24.9868 -7.8766 -7.8766 -6.8024 -6.8024 -6.6832 -6.6832 2.0372 2.0372 2.1073 2.1073 2.3120 2.3120 2.3934 2.3934 3.5839 3.5839 3.8836 3.8836 4.2275 4.2275 4.5360 4.5360 4.6798 4.6798 5.0589 5.0589 6.5136 6.5136 6.5498 6.5498 10.1079 10.1079 10.6110 10.6110 10.8094 10.8094 14.5997 14.5997 15.2655 15.2656 k = 0.3333 0.5774 0.6059 ( 2604 PWs) bands (ev): -24.9867 -24.9867 -7.8772 -7.8772 -6.8036 -6.8036 -6.6828 -6.6828 2.0376 2.0376 2.1074 2.1074 2.3111 2.3111 2.3935 2.3935 3.5841 3.5841 3.8831 3.8831 4.2285 4.2285 4.5360 4.5360 4.6830 4.6830 5.0588 5.0588 6.5216 6.5216 6.5603 6.5603 10.1144 10.1144 10.5875 10.5875 10.7993 10.7993 14.5897 14.5897 15.2569 15.2569 k = 0.3333 0.5774 0.6215 ( 2598 PWs) bands (ev): -24.9866 -24.9866 -7.8776 -7.8776 -6.8043 -6.8043 -6.6826 -6.6826 2.0378 2.0378 2.1075 2.1075 2.3106 2.3106 2.3936 2.3936 3.5843 3.5843 3.8828 3.8828 4.2291 4.2291 4.5360 4.5360 4.6849 4.6849 5.0588 5.0588 6.5265 6.5265 6.5667 6.5667 10.1178 10.1178 10.5733 10.5733 10.7938 10.7938 14.5834 14.5834 15.2475 15.2517 k = 0.3333 0.5774 0.6370 ( 2598 PWs) bands (ev): -24.9866 -24.9866 -7.8777 -7.8777 -6.8046 -6.8046 -6.6825 -6.6825 2.0379 2.0379 2.1075 2.1075 2.3105 2.3105 2.3936 2.3936 3.5843 3.5843 3.8827 3.8827 4.2293 4.2293 4.5360 4.5360 4.6855 4.6855 5.0588 5.0588 6.5282 6.5282 6.5688 6.5688 10.1188 10.1188 10.5685 10.5685 10.7922 10.7922 14.5812 14.5812 15.2498 15.2499 Writing output data file SrHg2.save init_run : 0.26s CPU 0.40s WALL ( 1 calls) electrons : 146.30s CPU 148.83s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.02s CPU 0.05s WALL ( 1 calls) Called by electrons: c_bands : 146.29s CPU 148.82s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.01s WALL ( 1 calls) newd : 0.06s CPU 0.10s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.01s CPU 0.03s WALL ( 336 calls) cegterg : 138.42s CPU 140.54s WALL ( 773 calls) Called by sum_band: Called by *egterg: h_psi : 61.97s CPU 62.93s WALL ( 13051 calls) s_psi : 4.04s CPU 4.15s WALL ( 13051 calls) g_psi : 0.16s CPU 0.20s WALL ( 11942 calls) cdiaghg : 64.76s CPU 65.46s WALL ( 12278 calls) cegterg:over : 4.62s CPU 4.84s WALL ( 11942 calls) cegterg:upda : 3.39s CPU 3.55s WALL ( 11942 calls) cegterg:last : 2.11s CPU 2.15s WALL ( 1993 calls) cdiaghg:chol : 3.32s CPU 3.45s WALL ( 12278 calls) cdiaghg:inve : 1.99s CPU 2.07s WALL ( 12278 calls) cdiaghg:para : 3.87s CPU 3.78s WALL ( 24556 calls) Called by h_psi: h_psi:vloc : 52.77s CPU 53.80s WALL ( 13051 calls) h_psi:vnl : 9.08s CPU 8.97s WALL ( 13051 calls) add_vuspsi : 5.10s CPU 4.91s WALL ( 13051 calls) General routines calbec : 3.96s CPU 4.03s WALL ( 13051 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 47.12s CPU 48.13s WALL ( 988928 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.13s CPU 0.20s WALL ( 672 calls) Parallel routines fft_scatter : 22.24s CPU 22.93s WALL ( 988951 calls) PWSCF : 2m37.96s CPU 2m49.71s WALL This run was terminated on: 19: 0:35 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=