Program PWSCF v.5.3.0 (svn rev. 11974) starts on 31Jan2017 at 14:12:32 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 72 processors R & G space division: proc/nbgrp/npool/nimage = 72 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: ./Cs2Pt.save/ file Pt.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 6S 5D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 6* 6 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 47 35 9 3763 2377 339 Max 48 36 10 3776 2405 350 Sum 3427 2527 685 271409 172427 24737 bravais-lattice index = 14 lattice parameter (alat) = 10.7261 a.u. unit-cell volume = 1783.2316 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 2 number of electrons = 56.00 number of Kohn-Sham states= 68 kinetic-energy cutoff = 80.0000 Ry charge density cutoff = 433.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 10.726085 celldm(2)= 1.000000 celldm(3)= 1.668605 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.500000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.500000 0.866025 0.000000 ) a(3) = ( 0.000000 0.000000 1.668605 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.577350 -0.000000 ) b(2) = ( 0.000000 1.154701 -0.000000 ) b(3) = ( 0.000000 0.000000 0.599303 ) PseudoPot. # 1 for Pt read from file: /users/gautes/Pseudo/Pt.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 5a767c0d250ba2b616d7addddc548ecc Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1277 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Cs read from file: /users/gautes/Pseudo/Cs.rel-pbe-oncvpsp.UPF MD5 check sum: b26d75608c6aa7e713949ad9f7a49707 Pseudo is Norm-conserving, Zval = 9.0 Generated using ONCVPSP code by D. R. Hamann Using radial grid of 2414 points, 14 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 l(11) = 3 l(12) = 3 l(13) = 3 l(14) = 3 atomic species valence mass pseudopotential Pt 10.00 195.08400 Pt( 1.00) Cs 9.00 132.90550 Cs( 1.00) 24 Sym. Ops., with inversion, found (12 have fractional translation) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) f =( 0.0000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) f =( 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.8343023 ) isym = 3 180 deg rotation - cart. axis [0,1,0] cryst. s( 3) = ( -1 0 0 ) f =( 0.0000000 ) ( 1 1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s( 3) = ( -1.0000000 0.0000000 -0.0000000 ) f =( 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.8343023 ) isym = 4 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( 1 0 0 ) ( -1 -1 0 ) ( 0 0 -1 ) cart. s( 4) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 5 60 deg rotation - cryst. axis [0,0,1] cryst. s( 5) = ( 1 1 0 ) f =( 0.0000000 ) ( -1 0 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s( 5) = ( 0.5000000 -0.8660254 0.0000000 ) f =( 0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.8343023 ) isym = 6 60 deg rotation - cryst. axis [0,0,-1] cryst. s( 6) = ( 0 -1 0 ) f =( 0.0000000 ) ( 1 1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s( 6) = ( 0.5000000 0.8660254 -0.0000000 ) f =( 0.0000000 ) ( -0.8660254 0.5000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.8343023 ) isym = 7 120 deg rotation - cryst. axis [0,0,1] cryst. s( 7) = ( 0 1 0 ) ( -1 -1 0 ) ( 0 0 1 ) cart. s( 7) = ( -0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 8 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 8) = ( -1 -1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s( 8) = ( -0.5000000 0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 9 180 deg rotation - cryst. axis [1,-1,0] cryst. s( 9) = ( 0 -1 0 ) f =( 0.0000000 ) ( -1 0 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s( 9) = ( 0.5000000 -0.8660254 -0.0000000 ) f =( 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.8343023 ) isym = 10 180 deg rotation - cryst. axis [2,1,0] cryst. s(10) = ( 1 1 0 ) f =( 0.0000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s(10) = ( 0.5000000 0.8660254 -0.0000000 ) f =( 0.0000000 ) ( 0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.8343023 ) isym = 11 180 deg rotation - cryst. axis [0,1,0] cryst. s(11) = ( -1 -1 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s(11) = ( -0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 12 180 deg rotation - cryst. axis [1,1,0] cryst. s(12) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s(12) = ( -0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 13 inversion cryst. s(13) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s(13) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 14 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s(14) = ( 1 0 0 ) f =( 0.0000000 ) ( 0 1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s(14) = ( 1.0000000 0.0000000 -0.0000000 ) f =( 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.8343023 ) isym = 15 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s(15) = ( 1 0 0 ) f =( 0.0000000 ) ( -1 -1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s(15) = ( 1.0000000 -0.0000000 0.0000000 ) f =( 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.8343023 ) isym = 16 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s(16) = ( -1 0 0 ) ( 1 1 0 ) ( 0 0 1 ) cart. s(16) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 17 inv. 60 deg rotation - cryst. axis [0,0,1] cryst. s(17) = ( -1 -1 0 ) f =( 0.0000000 ) ( 1 0 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s(17) = ( -0.5000000 0.8660254 -0.0000000 ) f =( 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.8343023 ) isym = 18 inv. 60 deg rotation - cryst. axis [0,0,-1] cryst. s(18) = ( 0 1 0 ) f =( 0.0000000 ) ( -1 -1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s(18) = ( -0.5000000 -0.8660254 0.0000000 ) f =( 0.0000000 ) ( 0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.8343023 ) isym = 19 inv. 120 deg rotation - cryst. axis [0,0,1] cryst. s(19) = ( 0 -1 0 ) ( 1 1 0 ) ( 0 0 -1 ) cart. s(19) = ( 0.5000000 0.8660254 -0.0000000 ) ( -0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 20 inv. 120 deg rotation - cryst. axis [0,0,-1] cryst. s(20) = ( 1 1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s(20) = ( 0.5000000 -0.8660254 -0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 21 inv. 180 deg rotation - cryst. axis [1,-1,0] cryst. s(21) = ( 0 1 0 ) f =( 0.0000000 ) ( 1 0 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s(21) = ( -0.5000000 0.8660254 0.0000000 ) f =( 0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.8343023 ) isym = 22 inv. 180 deg rotation - cryst. axis [2,1,0] cryst. s(22) = ( -1 -1 0 ) f =( 0.0000000 ) ( 0 1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s(22) = ( -0.5000000 -0.8660254 0.0000000 ) f =( 0.0000000 ) ( -0.8660254 0.5000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.8343023 ) 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= 236 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0042373 k( 2) = ( 0.0156250 0.0090211 -0.0000000), wk = 0.0042373 k( 3) = ( 0.0312500 0.0180422 -0.0000000), wk = 0.0042373 k( 4) = ( 0.0468750 0.0270633 -0.0000000), wk = 0.0042373 k( 5) = ( 0.0625000 0.0360844 -0.0000000), wk = 0.0042373 k( 6) = ( 0.0781250 0.0451055 -0.0000000), wk = 0.0042373 k( 7) = ( 0.0937500 0.0541266 -0.0000000), wk = 0.0042373 k( 8) = ( 0.1093750 0.0631477 -0.0000000), wk = 0.0042373 k( 9) = ( 0.1250000 0.0721688 -0.0000000), wk = 0.0042373 k( 10) = ( 0.1406250 0.0811899 -0.0000000), wk = 0.0042373 k( 11) = ( 0.1562500 0.0902110 -0.0000000), wk = 0.0042373 k( 12) = ( 0.1718750 0.0992321 -0.0000000), wk = 0.0042373 k( 13) = ( 0.1875000 0.1082532 -0.0000000), wk = 0.0042373 k( 14) = ( 0.2031250 0.1172743 -0.0000000), wk = 0.0042373 k( 15) = ( 0.2187500 0.1262954 -0.0000000), wk = 0.0042373 k( 16) = ( 0.2343750 0.1353165 -0.0000000), wk = 0.0042373 k( 17) = ( 0.2500000 0.1443376 -0.0000000), wk = 0.0042373 k( 18) = ( 0.2656250 0.1533587 -0.0000000), wk = 0.0042373 k( 19) = ( 0.2812500 0.1623798 -0.0000000), wk = 0.0042373 k( 20) = ( 0.2968750 0.1714009 -0.0000000), wk = 0.0042373 k( 21) = ( 0.3125000 0.1804220 -0.0000000), wk = 0.0042373 k( 22) = ( 0.3281250 0.1894431 -0.0000000), wk = 0.0042373 k( 23) = ( 0.3437500 0.1984642 -0.0000000), wk = 0.0042373 k( 24) = ( 0.3593750 0.2074853 -0.0000000), wk = 0.0042373 k( 25) = ( 0.3750000 0.2165064 -0.0000000), wk = 0.0042373 k( 26) = ( 0.3906250 0.2255274 -0.0000000), wk = 0.0042373 k( 27) = ( 0.4062500 0.2345485 -0.0000000), wk = 0.0042373 k( 28) = ( 0.4218750 0.2435696 -0.0000000), wk = 0.0042373 k( 29) = ( 0.4375000 0.2525907 -0.0000000), wk = 0.0042373 k( 30) = ( 0.4531250 0.2616118 -0.0000000), wk = 0.0042373 k( 31) = ( 0.4687500 0.2706329 -0.0000000), wk = 0.0042373 k( 32) = ( 0.4843750 0.2796540 -0.0000000), wk = 0.0042373 k( 33) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0042373 k( 34) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0042373 k( 35) = ( 0.4912281 0.3038686 -0.0000000), wk = 0.0042373 k( 36) = ( 0.4824561 0.3190620 -0.0000000), wk = 0.0042373 k( 37) = ( 0.4736842 0.3342554 -0.0000000), wk = 0.0042373 k( 38) = ( 0.4649123 0.3494488 -0.0000000), wk = 0.0042373 k( 39) = ( 0.4561404 0.3646423 -0.0000000), wk = 0.0042373 k( 40) = ( 0.4473684 0.3798357 -0.0000000), wk = 0.0042373 k( 41) = ( 0.4385965 0.3950291 -0.0000000), wk = 0.0042373 k( 42) = ( 0.4298246 0.4102226 -0.0000000), wk = 0.0042373 k( 43) = ( 0.4210526 0.4254160 -0.0000000), wk = 0.0042373 k( 44) = ( 0.4122807 0.4406094 -0.0000000), wk = 0.0042373 k( 45) = ( 0.4035088 0.4558028 -0.0000000), wk = 0.0042373 k( 46) = ( 0.3947368 0.4709963 -0.0000000), wk = 0.0042373 k( 47) = ( 0.3859649 0.4861897 -0.0000000), wk = 0.0042373 k( 48) = ( 0.3771930 0.5013831 -0.0000000), wk = 0.0042373 k( 49) = ( 0.3684211 0.5165765 -0.0000000), wk = 0.0042373 k( 50) = ( 0.3596491 0.5317700 -0.0000000), wk = 0.0042373 k( 51) = ( 0.3508772 0.5469634 -0.0000000), wk = 0.0042373 k( 52) = ( 0.3421053 0.5621568 -0.0000000), wk = 0.0042373 k( 53) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0042373 k( 54) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0042373 k( 55) = ( 0.3243243 0.5617462 -0.0000000), wk = 0.0042373 k( 56) = ( 0.3153153 0.5461422 -0.0000000), wk = 0.0042373 k( 57) = ( 0.3063063 0.5305381 -0.0000000), wk = 0.0042373 k( 58) = ( 0.2972973 0.5149340 -0.0000000), wk = 0.0042373 k( 59) = ( 0.2882883 0.4993300 -0.0000000), wk = 0.0042373 k( 60) = ( 0.2792793 0.4837259 -0.0000000), wk = 0.0042373 k( 61) = ( 0.2702703 0.4681218 -0.0000000), wk = 0.0042373 k( 62) = ( 0.2612613 0.4525178 -0.0000000), wk = 0.0042373 k( 63) = ( 0.2522523 0.4369137 -0.0000000), wk = 0.0042373 k( 64) = ( 0.2432432 0.4213097 -0.0000000), wk = 0.0042373 k( 65) = ( 0.2342342 0.4057056 -0.0000000), wk = 0.0042373 k( 66) = ( 0.2252252 0.3901015 -0.0000000), wk = 0.0042373 k( 67) = ( 0.2162162 0.3744975 -0.0000000), wk = 0.0042373 k( 68) = ( 0.2072072 0.3588934 -0.0000000), wk = 0.0042373 k( 69) = ( 0.1981982 0.3432894 -0.0000000), wk = 0.0042373 k( 70) = ( 0.1891892 0.3276853 -0.0000000), wk = 0.0042373 k( 71) = ( 0.1801802 0.3120812 -0.0000000), wk = 0.0042373 k( 72) = ( 0.1711712 0.2964772 -0.0000000), wk = 0.0042373 k( 73) = ( 0.1621622 0.2808731 -0.0000000), wk = 0.0042373 k( 74) = ( 0.1531531 0.2652690 -0.0000000), wk = 0.0042373 k( 75) = ( 0.1441441 0.2496650 -0.0000000), wk = 0.0042373 k( 76) = ( 0.1351351 0.2340609 -0.0000000), wk = 0.0042373 k( 77) = ( 0.1261261 0.2184569 -0.0000000), wk = 0.0042373 k( 78) = ( 0.1171171 0.2028528 -0.0000000), wk = 0.0042373 k( 79) = ( 0.1081081 0.1872487 -0.0000000), wk = 0.0042373 k( 80) = ( 0.0990991 0.1716447 -0.0000000), wk = 0.0042373 k( 81) = ( 0.0900901 0.1560406 -0.0000000), wk = 0.0042373 k( 82) = ( 0.0810811 0.1404366 -0.0000000), wk = 0.0042373 k( 83) = ( 0.0720721 0.1248325 -0.0000000), wk = 0.0042373 k( 84) = ( 0.0630631 0.1092284 -0.0000000), wk = 0.0042373 k( 85) = ( 0.0540540 0.0936244 -0.0000000), wk = 0.0042373 k( 86) = ( 0.0450451 0.0780203 -0.0000000), wk = 0.0042373 k( 87) = ( 0.0360360 0.0624163 -0.0000000), wk = 0.0042373 k( 88) = ( 0.0270270 0.0468122 -0.0000000), wk = 0.0042373 k( 89) = ( 0.0180180 0.0312081 -0.0000000), wk = 0.0042373 k( 90) = ( 0.0090090 0.0156041 -0.0000000), wk = 0.0042373 k( 91) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0042373 k( 92) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0042373 k( 93) = ( 0.0000000 0.0000000 0.0176266), wk = 0.0042373 k( 94) = ( 0.0000000 0.0000000 0.0352531), wk = 0.0042373 k( 95) = ( 0.0000000 0.0000000 0.0528797), wk = 0.0042373 k( 96) = ( 0.0000000 0.0000000 0.0705063), wk = 0.0042373 k( 97) = ( 0.0000000 0.0000000 0.0881328), wk = 0.0042373 k( 98) = ( 0.0000000 0.0000000 0.1057594), wk = 0.0042373 k( 99) = ( 0.0000000 0.0000000 0.1233859), wk = 0.0042373 k( 100) = ( 0.0000000 0.0000000 0.1410125), wk = 0.0042373 k( 101) = ( 0.0000000 0.0000000 0.1586391), wk = 0.0042373 k( 102) = ( 0.0000000 0.0000000 0.1762656), wk = 0.0042373 k( 103) = ( 0.0000000 0.0000000 0.1938922), wk = 0.0042373 k( 104) = ( 0.0000000 0.0000000 0.2115188), wk = 0.0042373 k( 105) = ( 0.0000000 0.0000000 0.2291453), wk = 0.0042373 k( 106) = ( 0.0000000 0.0000000 0.2467719), wk = 0.0042373 k( 107) = ( 0.0000000 0.0000000 0.2643984), wk = 0.0042373 k( 108) = ( 0.0000000 0.0000000 0.2820250), wk = 0.0042373 k( 109) = ( 0.0000000 0.0000000 0.2996516), wk = 0.0042373 k( 110) = ( 0.0000000 0.0000000 0.2996516), wk = 0.0042373 k( 111) = ( 0.0156250 0.0090211 0.2996516), wk = 0.0042373 k( 112) = ( 0.0312500 0.0180422 0.2996516), wk = 0.0042373 k( 113) = ( 0.0468750 0.0270633 0.2996516), wk = 0.0042373 k( 114) = ( 0.0625000 0.0360844 0.2996516), wk = 0.0042373 k( 115) = ( 0.0781250 0.0451055 0.2996516), wk = 0.0042373 k( 116) = ( 0.0937500 0.0541266 0.2996516), wk = 0.0042373 k( 117) = ( 0.1093750 0.0631477 0.2996516), wk = 0.0042373 k( 118) = ( 0.1250000 0.0721688 0.2996516), wk = 0.0042373 k( 119) = ( 0.1406250 0.0811899 0.2996516), wk = 0.0042373 k( 120) = ( 0.1562500 0.0902110 0.2996516), wk = 0.0042373 k( 121) = ( 0.1718750 0.0992321 0.2996516), wk = 0.0042373 k( 122) = ( 0.1875000 0.1082532 0.2996516), wk = 0.0042373 k( 123) = ( 0.2031250 0.1172743 0.2996516), wk = 0.0042373 k( 124) = ( 0.2187500 0.1262954 0.2996516), wk = 0.0042373 k( 125) = ( 0.2343750 0.1353165 0.2996516), wk = 0.0042373 k( 126) = ( 0.2500000 0.1443376 0.2996516), wk = 0.0042373 k( 127) = ( 0.2656250 0.1533587 0.2996516), wk = 0.0042373 k( 128) = ( 0.2812500 0.1623798 0.2996516), wk = 0.0042373 k( 129) = ( 0.2968750 0.1714009 0.2996516), wk = 0.0042373 k( 130) = ( 0.3125000 0.1804220 0.2996516), wk = 0.0042373 k( 131) = ( 0.3281250 0.1894431 0.2996516), wk = 0.0042373 k( 132) = ( 0.3437500 0.1984642 0.2996516), wk = 0.0042373 k( 133) = ( 0.3593750 0.2074853 0.2996516), wk = 0.0042373 k( 134) = ( 0.3750000 0.2165064 0.2996516), wk = 0.0042373 k( 135) = ( 0.3906250 0.2255274 0.2996516), wk = 0.0042373 k( 136) = ( 0.4062500 0.2345485 0.2996516), wk = 0.0042373 k( 137) = ( 0.4218750 0.2435696 0.2996516), wk = 0.0042373 k( 138) = ( 0.4375000 0.2525907 0.2996516), wk = 0.0042373 k( 139) = ( 0.4531250 0.2616118 0.2996516), wk = 0.0042373 k( 140) = ( 0.4687500 0.2706329 0.2996516), wk = 0.0042373 k( 141) = ( 0.4843750 0.2796540 0.2996516), wk = 0.0042373 k( 142) = ( 0.5000000 0.2886751 0.2996516), wk = 0.0042373 k( 143) = ( 0.5000000 0.2886751 0.2996516), wk = 0.0042373 k( 144) = ( 0.4912281 0.3038686 0.2996516), wk = 0.0042373 k( 145) = ( 0.4824561 0.3190620 0.2996516), wk = 0.0042373 k( 146) = ( 0.4736842 0.3342554 0.2996516), wk = 0.0042373 k( 147) = ( 0.4649123 0.3494488 0.2996516), wk = 0.0042373 k( 148) = ( 0.4561404 0.3646423 0.2996516), wk = 0.0042373 k( 149) = ( 0.4473684 0.3798357 0.2996516), wk = 0.0042373 k( 150) = ( 0.4385965 0.3950291 0.2996516), wk = 0.0042373 k( 151) = ( 0.4298246 0.4102226 0.2996516), wk = 0.0042373 k( 152) = ( 0.4210526 0.4254160 0.2996516), wk = 0.0042373 k( 153) = ( 0.4122807 0.4406094 0.2996516), wk = 0.0042373 k( 154) = ( 0.4035088 0.4558028 0.2996516), wk = 0.0042373 k( 155) = ( 0.3947368 0.4709963 0.2996516), wk = 0.0042373 k( 156) = ( 0.3859649 0.4861897 0.2996516), wk = 0.0042373 k( 157) = ( 0.3771930 0.5013831 0.2996516), wk = 0.0042373 k( 158) = ( 0.3684211 0.5165765 0.2996516), wk = 0.0042373 k( 159) = ( 0.3596491 0.5317700 0.2996516), wk = 0.0042373 k( 160) = ( 0.3508772 0.5469634 0.2996516), wk = 0.0042373 k( 161) = ( 0.3421053 0.5621568 0.2996516), wk = 0.0042373 k( 162) = ( 0.3333333 0.5773503 0.2996516), wk = 0.0042373 k( 163) = ( 0.3333333 0.5773503 0.2996516), wk = 0.0042373 k( 164) = ( 0.3243243 0.5617462 0.2996516), wk = 0.0042373 k( 165) = ( 0.3153153 0.5461422 0.2996516), wk = 0.0042373 k( 166) = ( 0.3063063 0.5305381 0.2996516), wk = 0.0042373 k( 167) = ( 0.2972973 0.5149340 0.2996516), wk = 0.0042373 k( 168) = ( 0.2882883 0.4993300 0.2996516), wk = 0.0042373 k( 169) = ( 0.2792793 0.4837259 0.2996516), wk = 0.0042373 k( 170) = ( 0.2702703 0.4681218 0.2996516), wk = 0.0042373 k( 171) = ( 0.2612613 0.4525178 0.2996516), wk = 0.0042373 k( 172) = ( 0.2522523 0.4369137 0.2996516), wk = 0.0042373 k( 173) = ( 0.2432432 0.4213097 0.2996516), wk = 0.0042373 k( 174) = ( 0.2342342 0.4057056 0.2996516), wk = 0.0042373 k( 175) = ( 0.2252252 0.3901015 0.2996516), wk = 0.0042373 k( 176) = ( 0.2162162 0.3744975 0.2996516), wk = 0.0042373 k( 177) = ( 0.2072072 0.3588934 0.2996516), wk = 0.0042373 k( 178) = ( 0.1981982 0.3432894 0.2996516), wk = 0.0042373 k( 179) = ( 0.1891892 0.3276853 0.2996516), wk = 0.0042373 k( 180) = ( 0.1801802 0.3120812 0.2996516), wk = 0.0042373 k( 181) = ( 0.1711712 0.2964772 0.2996516), wk = 0.0042373 k( 182) = ( 0.1621622 0.2808731 0.2996516), wk = 0.0042373 k( 183) = ( 0.1531531 0.2652690 0.2996516), wk = 0.0042373 k( 184) = ( 0.1441441 0.2496650 0.2996516), wk = 0.0042373 k( 185) = ( 0.1351351 0.2340609 0.2996516), wk = 0.0042373 k( 186) = ( 0.1261261 0.2184569 0.2996516), wk = 0.0042373 k( 187) = ( 0.1171171 0.2028528 0.2996516), wk = 0.0042373 k( 188) = ( 0.1081081 0.1872487 0.2996516), wk = 0.0042373 k( 189) = ( 0.0990991 0.1716447 0.2996516), wk = 0.0042373 k( 190) = ( 0.0900901 0.1560406 0.2996516), wk = 0.0042373 k( 191) = ( 0.0810811 0.1404366 0.2996516), wk = 0.0042373 k( 192) = ( 0.0720721 0.1248325 0.2996516), wk = 0.0042373 k( 193) = ( 0.0630631 0.1092284 0.2996516), wk = 0.0042373 k( 194) = ( 0.0540540 0.0936244 0.2996516), wk = 0.0042373 k( 195) = ( 0.0450451 0.0780203 0.2996516), wk = 0.0042373 k( 196) = ( 0.0360360 0.0624163 0.2996516), wk = 0.0042373 k( 197) = ( 0.0270270 0.0468122 0.2996516), wk = 0.0042373 k( 198) = ( 0.0180180 0.0312081 0.2996516), wk = 0.0042373 k( 199) = ( 0.0090090 0.0156041 0.2996516), wk = 0.0042373 k( 200) = ( 0.0000000 0.0000000 0.2996516), wk = 0.0042373 k( 201) = ( 0.5000000 0.2886751 0.2996516), wk = 0.0042373 k( 202) = ( 0.5000000 0.2886751 0.2820250), wk = 0.0042373 k( 203) = ( 0.5000000 0.2886751 0.2643984), wk = 0.0042373 k( 204) = ( 0.5000000 0.2886751 0.2467719), wk = 0.0042373 k( 205) = ( 0.5000000 0.2886751 0.2291453), wk = 0.0042373 k( 206) = ( 0.5000000 0.2886751 0.2115188), wk = 0.0042373 k( 207) = ( 0.5000000 0.2886751 0.1938922), wk = 0.0042373 k( 208) = ( 0.5000000 0.2886751 0.1762656), wk = 0.0042373 k( 209) = ( 0.5000000 0.2886751 0.1586391), wk = 0.0042373 k( 210) = ( 0.5000000 0.2886751 0.1410125), wk = 0.0042373 k( 211) = ( 0.5000000 0.2886751 0.1233859), wk = 0.0042373 k( 212) = ( 0.5000000 0.2886751 0.1057594), wk = 0.0042373 k( 213) = ( 0.5000000 0.2886751 0.0881328), wk = 0.0042373 k( 214) = ( 0.5000000 0.2886751 0.0705063), wk = 0.0042373 k( 215) = ( 0.5000000 0.2886751 0.0528797), wk = 0.0042373 k( 216) = ( 0.5000000 0.2886751 0.0352531), wk = 0.0042373 k( 217) = ( 0.5000000 0.2886751 0.0176266), wk = 0.0042373 k( 218) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0042373 k( 219) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0042373 k( 220) = ( 0.3333333 0.5773503 0.0176266), wk = 0.0042373 k( 221) = ( 0.3333333 0.5773503 0.0352531), wk = 0.0042373 k( 222) = ( 0.3333333 0.5773503 0.0528797), wk = 0.0042373 k( 223) = ( 0.3333333 0.5773503 0.0705063), wk = 0.0042373 k( 224) = ( 0.3333333 0.5773503 0.0881328), wk = 0.0042373 k( 225) = ( 0.3333333 0.5773503 0.1057594), wk = 0.0042373 k( 226) = ( 0.3333333 0.5773503 0.1233859), wk = 0.0042373 k( 227) = ( 0.3333333 0.5773503 0.1410125), wk = 0.0042373 k( 228) = ( 0.3333333 0.5773503 0.1586391), wk = 0.0042373 k( 229) = ( 0.3333333 0.5773503 0.1762656), wk = 0.0042373 k( 230) = ( 0.3333333 0.5773503 0.1938922), wk = 0.0042373 k( 231) = ( 0.3333333 0.5773503 0.2115188), wk = 0.0042373 k( 232) = ( 0.3333333 0.5773503 0.2291453), wk = 0.0042373 k( 233) = ( 0.3333333 0.5773503 0.2467719), wk = 0.0042373 k( 234) = ( 0.3333333 0.5773503 0.2643984), wk = 0.0042373 k( 235) = ( 0.3333333 0.5773503 0.2820250), wk = 0.0042373 k( 236) = ( 0.3333333 0.5773503 0.2996516), wk = 0.0042373 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0042373 k( 2) = ( 0.0156250 0.0000000 0.0000000), wk = 0.0042373 k( 3) = ( 0.0312500 0.0000000 0.0000000), wk = 0.0042373 k( 4) = ( 0.0468750 0.0000000 -0.0000000), wk = 0.0042373 k( 5) = ( 0.0625000 0.0000000 0.0000000), wk = 0.0042373 k( 6) = ( 0.0781250 -0.0000000 -0.0000000), wk = 0.0042373 k( 7) = ( 0.0937500 0.0000000 -0.0000000), wk = 0.0042373 k( 8) = ( 0.1093750 0.0000000 -0.0000000), wk = 0.0042373 k( 9) = ( 0.1250000 0.0000000 0.0000000), wk = 0.0042373 k( 10) = ( 0.1406250 -0.0000000 -0.0000000), wk = 0.0042373 k( 11) = ( 0.1562500 -0.0000000 -0.0000000), wk = 0.0042373 k( 12) = ( 0.1718750 0.0000000 -0.0000000), wk = 0.0042373 k( 13) = ( 0.1875000 0.0000000 -0.0000000), wk = 0.0042373 k( 14) = ( 0.2031250 0.0000000 0.0000000), wk = 0.0042373 k( 15) = ( 0.2187500 0.0000000 -0.0000000), wk = 0.0042373 k( 16) = ( 0.2343750 -0.0000000 -0.0000000), wk = 0.0042373 k( 17) = ( 0.2500000 0.0000000 0.0000000), wk = 0.0042373 k( 18) = ( 0.2656250 0.0000000 -0.0000000), wk = 0.0042373 k( 19) = ( 0.2812500 -0.0000000 -0.0000000), wk = 0.0042373 k( 20) = ( 0.2968750 0.0000000 -0.0000000), wk = 0.0042373 k( 21) = ( 0.3125000 -0.0000000 -0.0000000), wk = 0.0042373 k( 22) = ( 0.3281250 -0.0000000 0.0000000), wk = 0.0042373 k( 23) = ( 0.3437500 0.0000000 -0.0000000), wk = 0.0042373 k( 24) = ( 0.3593750 0.0000000 -0.0000000), wk = 0.0042373 k( 25) = ( 0.3750000 0.0000000 -0.0000000), wk = 0.0042373 k( 26) = ( 0.3906250 0.0000000 -0.0000000), wk = 0.0042373 k( 27) = ( 0.4062500 0.0000000 0.0000000), wk = 0.0042373 k( 28) = ( 0.4218750 -0.0000000 -0.0000000), wk = 0.0042373 k( 29) = ( 0.4375000 0.0000000 -0.0000000), wk = 0.0042373 k( 30) = ( 0.4531250 0.0000000 -0.0000000), wk = 0.0042373 k( 31) = ( 0.4687500 -0.0000000 -0.0000000), wk = 0.0042373 k( 32) = ( 0.4843750 -0.0000000 -0.0000000), wk = 0.0042373 k( 33) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0042373 k( 34) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0042373 k( 35) = ( 0.4912281 0.0175439 0.0000000), wk = 0.0042373 k( 36) = ( 0.4824561 0.0350877 -0.0000000), wk = 0.0042373 k( 37) = ( 0.4736842 0.0526316 -0.0000000), wk = 0.0042373 k( 38) = ( 0.4649123 0.0701754 -0.0000000), wk = 0.0042373 k( 39) = ( 0.4561404 0.0877193 -0.0000000), wk = 0.0042373 k( 40) = ( 0.4473684 0.1052632 -0.0000000), wk = 0.0042373 k( 41) = ( 0.4385965 0.1228070 -0.0000000), wk = 0.0042373 k( 42) = ( 0.4298246 0.1403509 0.0000000), wk = 0.0042373 k( 43) = ( 0.4210526 0.1578947 -0.0000000), wk = 0.0042373 k( 44) = ( 0.4122807 0.1754386 -0.0000000), wk = 0.0042373 k( 45) = ( 0.4035088 0.1929825 -0.0000000), wk = 0.0042373 k( 46) = ( 0.3947368 0.2105263 0.0000000), wk = 0.0042373 k( 47) = ( 0.3859649 0.2280702 -0.0000000), wk = 0.0042373 k( 48) = ( 0.3771930 0.2456140 -0.0000000), wk = 0.0042373 k( 49) = ( 0.3684211 0.2631579 -0.0000000), wk = 0.0042373 k( 50) = ( 0.3596491 0.2807018 -0.0000000), wk = 0.0042373 k( 51) = ( 0.3508772 0.2982456 -0.0000000), wk = 0.0042373 k( 52) = ( 0.3421053 0.3157895 -0.0000000), wk = 0.0042373 k( 53) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0042373 k( 54) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0042373 k( 55) = ( 0.3243243 0.3243243 -0.0000000), wk = 0.0042373 k( 56) = ( 0.3153153 0.3153153 0.0000000), wk = 0.0042373 k( 57) = ( 0.3063063 0.3063063 -0.0000000), wk = 0.0042373 k( 58) = ( 0.2972973 0.2972973 -0.0000000), wk = 0.0042373 k( 59) = ( 0.2882883 0.2882883 -0.0000000), wk = 0.0042373 k( 60) = ( 0.2792793 0.2792793 -0.0000000), wk = 0.0042373 k( 61) = ( 0.2702703 0.2702703 -0.0000000), wk = 0.0042373 k( 62) = ( 0.2612613 0.2612613 -0.0000000), wk = 0.0042373 k( 63) = ( 0.2522523 0.2522523 -0.0000000), wk = 0.0042373 k( 64) = ( 0.2432432 0.2432432 -0.0000000), wk = 0.0042373 k( 65) = ( 0.2342342 0.2342342 0.0000000), wk = 0.0042373 k( 66) = ( 0.2252252 0.2252252 0.0000000), wk = 0.0042373 k( 67) = ( 0.2162162 0.2162162 -0.0000000), wk = 0.0042373 k( 68) = ( 0.2072072 0.2072072 0.0000000), wk = 0.0042373 k( 69) = ( 0.1981982 0.1981982 -0.0000000), wk = 0.0042373 k( 70) = ( 0.1891892 0.1891892 -0.0000000), wk = 0.0042373 k( 71) = ( 0.1801802 0.1801802 -0.0000000), wk = 0.0042373 k( 72) = ( 0.1711712 0.1711712 -0.0000000), wk = 0.0042373 k( 73) = ( 0.1621622 0.1621622 -0.0000000), wk = 0.0042373 k( 74) = ( 0.1531531 0.1531531 -0.0000000), wk = 0.0042373 k( 75) = ( 0.1441441 0.1441441 -0.0000000), wk = 0.0042373 k( 76) = ( 0.1351351 0.1351351 -0.0000000), wk = 0.0042373 k( 77) = ( 0.1261261 0.1261261 -0.0000000), wk = 0.0042373 k( 78) = ( 0.1171171 0.1171171 0.0000000), wk = 0.0042373 k( 79) = ( 0.1081081 0.1081081 -0.0000000), wk = 0.0042373 k( 80) = ( 0.0990991 0.0990991 -0.0000000), wk = 0.0042373 k( 81) = ( 0.0900901 0.0900901 -0.0000000), wk = 0.0042373 k( 82) = ( 0.0810811 0.0810811 -0.0000000), wk = 0.0042373 k( 83) = ( 0.0720721 0.0720721 -0.0000000), wk = 0.0042373 k( 84) = ( 0.0630631 0.0630631 -0.0000000), wk = 0.0042373 k( 85) = ( 0.0540540 0.0540541 -0.0000000), wk = 0.0042373 k( 86) = ( 0.0450451 0.0450450 -0.0000000), wk = 0.0042373 k( 87) = ( 0.0360360 0.0360360 -0.0000000), wk = 0.0042373 k( 88) = ( 0.0270270 0.0270270 -0.0000000), wk = 0.0042373 k( 89) = ( 0.0180180 0.0180180 -0.0000000), wk = 0.0042373 k( 90) = ( 0.0090090 0.0090090 -0.0000000), wk = 0.0042373 k( 91) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0042373 k( 92) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0042373 k( 93) = ( 0.0000000 0.0000000 0.0294118), wk = 0.0042373 k( 94) = ( 0.0000000 0.0000000 0.0588235), wk = 0.0042373 k( 95) = ( 0.0000000 0.0000000 0.0882353), wk = 0.0042373 k( 96) = ( 0.0000000 0.0000000 0.1176471), wk = 0.0042373 k( 97) = ( 0.0000000 0.0000000 0.1470588), wk = 0.0042373 k( 98) = ( 0.0000000 0.0000000 0.1764706), wk = 0.0042373 k( 99) = ( 0.0000000 0.0000000 0.2058823), wk = 0.0042373 k( 100) = ( 0.0000000 0.0000000 0.2352941), wk = 0.0042373 k( 101) = ( 0.0000000 0.0000000 0.2647059), wk = 0.0042373 k( 102) = ( 0.0000000 0.0000000 0.2941177), wk = 0.0042373 k( 103) = ( 0.0000000 0.0000000 0.3235294), wk = 0.0042373 k( 104) = ( 0.0000000 0.0000000 0.3529412), wk = 0.0042373 k( 105) = ( 0.0000000 0.0000000 0.3823529), wk = 0.0042373 k( 106) = ( 0.0000000 0.0000000 0.4117647), wk = 0.0042373 k( 107) = ( 0.0000000 0.0000000 0.4411765), wk = 0.0042373 k( 108) = ( 0.0000000 0.0000000 0.4705882), wk = 0.0042373 k( 109) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0042373 k( 110) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0042373 k( 111) = ( 0.0156250 0.0000000 0.5000000), wk = 0.0042373 k( 112) = ( 0.0312500 0.0000000 0.5000000), wk = 0.0042373 k( 113) = ( 0.0468750 0.0000000 0.5000000), wk = 0.0042373 k( 114) = ( 0.0625000 0.0000000 0.5000000), wk = 0.0042373 k( 115) = ( 0.0781250 -0.0000000 0.5000000), wk = 0.0042373 k( 116) = ( 0.0937500 0.0000000 0.5000000), wk = 0.0042373 k( 117) = ( 0.1093750 0.0000000 0.5000000), wk = 0.0042373 k( 118) = ( 0.1250000 0.0000000 0.5000000), wk = 0.0042373 k( 119) = ( 0.1406250 -0.0000000 0.5000000), wk = 0.0042373 k( 120) = ( 0.1562500 -0.0000000 0.5000000), wk = 0.0042373 k( 121) = ( 0.1718750 0.0000000 0.5000000), wk = 0.0042373 k( 122) = ( 0.1875000 0.0000000 0.5000000), wk = 0.0042373 k( 123) = ( 0.2031250 0.0000000 0.5000000), wk = 0.0042373 k( 124) = ( 0.2187500 0.0000000 0.5000000), wk = 0.0042373 k( 125) = ( 0.2343750 -0.0000000 0.5000000), wk = 0.0042373 k( 126) = ( 0.2500000 0.0000000 0.5000000), wk = 0.0042373 k( 127) = ( 0.2656250 0.0000000 0.5000000), wk = 0.0042373 k( 128) = ( 0.2812500 -0.0000000 0.5000000), wk = 0.0042373 k( 129) = ( 0.2968750 0.0000000 0.5000000), wk = 0.0042373 k( 130) = ( 0.3125000 -0.0000000 0.5000000), wk = 0.0042373 k( 131) = ( 0.3281250 -0.0000000 0.5000000), wk = 0.0042373 k( 132) = ( 0.3437500 0.0000000 0.5000000), wk = 0.0042373 k( 133) = ( 0.3593750 0.0000000 0.5000000), wk = 0.0042373 k( 134) = ( 0.3750000 0.0000000 0.5000000), wk = 0.0042373 k( 135) = ( 0.3906250 0.0000000 0.5000000), wk = 0.0042373 k( 136) = ( 0.4062500 0.0000000 0.5000000), wk = 0.0042373 k( 137) = ( 0.4218750 -0.0000000 0.5000000), wk = 0.0042373 k( 138) = ( 0.4375000 0.0000000 0.5000000), wk = 0.0042373 k( 139) = ( 0.4531250 0.0000000 0.5000000), wk = 0.0042373 k( 140) = ( 0.4687500 -0.0000000 0.5000000), wk = 0.0042373 k( 141) = ( 0.4843750 -0.0000000 0.5000000), wk = 0.0042373 k( 142) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0042373 k( 143) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0042373 k( 144) = ( 0.4912281 0.0175439 0.5000000), wk = 0.0042373 k( 145) = ( 0.4824561 0.0350877 0.5000000), wk = 0.0042373 k( 146) = ( 0.4736842 0.0526316 0.5000000), wk = 0.0042373 k( 147) = ( 0.4649123 0.0701754 0.5000000), wk = 0.0042373 k( 148) = ( 0.4561404 0.0877193 0.5000000), wk = 0.0042373 k( 149) = ( 0.4473684 0.1052632 0.5000000), wk = 0.0042373 k( 150) = ( 0.4385965 0.1228070 0.5000000), wk = 0.0042373 k( 151) = ( 0.4298246 0.1403509 0.5000000), wk = 0.0042373 k( 152) = ( 0.4210526 0.1578947 0.5000000), wk = 0.0042373 k( 153) = ( 0.4122807 0.1754386 0.5000000), wk = 0.0042373 k( 154) = ( 0.4035088 0.1929825 0.5000000), wk = 0.0042373 k( 155) = ( 0.3947368 0.2105263 0.5000000), wk = 0.0042373 k( 156) = ( 0.3859649 0.2280702 0.5000000), wk = 0.0042373 k( 157) = ( 0.3771930 0.2456140 0.5000000), wk = 0.0042373 k( 158) = ( 0.3684211 0.2631579 0.5000000), wk = 0.0042373 k( 159) = ( 0.3596491 0.2807018 0.5000000), wk = 0.0042373 k( 160) = ( 0.3508772 0.2982456 0.5000000), wk = 0.0042373 k( 161) = ( 0.3421053 0.3157895 0.5000000), wk = 0.0042373 k( 162) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0042373 k( 163) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0042373 k( 164) = ( 0.3243243 0.3243243 0.5000000), wk = 0.0042373 k( 165) = ( 0.3153153 0.3153153 0.5000000), wk = 0.0042373 k( 166) = ( 0.3063063 0.3063063 0.5000000), wk = 0.0042373 k( 167) = ( 0.2972973 0.2972973 0.5000000), wk = 0.0042373 k( 168) = ( 0.2882883 0.2882883 0.5000000), wk = 0.0042373 k( 169) = ( 0.2792793 0.2792793 0.5000000), wk = 0.0042373 k( 170) = ( 0.2702703 0.2702703 0.5000000), wk = 0.0042373 k( 171) = ( 0.2612613 0.2612613 0.5000000), wk = 0.0042373 k( 172) = ( 0.2522523 0.2522523 0.5000000), wk = 0.0042373 k( 173) = ( 0.2432432 0.2432432 0.5000000), wk = 0.0042373 k( 174) = ( 0.2342342 0.2342342 0.5000000), wk = 0.0042373 k( 175) = ( 0.2252252 0.2252252 0.5000000), wk = 0.0042373 k( 176) = ( 0.2162162 0.2162162 0.5000000), wk = 0.0042373 k( 177) = ( 0.2072072 0.2072072 0.5000000), wk = 0.0042373 k( 178) = ( 0.1981982 0.1981982 0.5000000), wk = 0.0042373 k( 179) = ( 0.1891892 0.1891892 0.5000000), wk = 0.0042373 k( 180) = ( 0.1801802 0.1801802 0.5000000), wk = 0.0042373 k( 181) = ( 0.1711712 0.1711712 0.5000000), wk = 0.0042373 k( 182) = ( 0.1621622 0.1621622 0.5000000), wk = 0.0042373 k( 183) = ( 0.1531531 0.1531531 0.5000000), wk = 0.0042373 k( 184) = ( 0.1441441 0.1441441 0.5000000), wk = 0.0042373 k( 185) = ( 0.1351351 0.1351351 0.5000000), wk = 0.0042373 k( 186) = ( 0.1261261 0.1261261 0.5000000), wk = 0.0042373 k( 187) = ( 0.1171171 0.1171171 0.5000000), wk = 0.0042373 k( 188) = ( 0.1081081 0.1081081 0.5000000), wk = 0.0042373 k( 189) = ( 0.0990991 0.0990991 0.5000000), wk = 0.0042373 k( 190) = ( 0.0900901 0.0900901 0.5000000), wk = 0.0042373 k( 191) = ( 0.0810811 0.0810811 0.5000000), wk = 0.0042373 k( 192) = ( 0.0720721 0.0720721 0.5000000), wk = 0.0042373 k( 193) = ( 0.0630631 0.0630631 0.5000000), wk = 0.0042373 k( 194) = ( 0.0540540 0.0540541 0.5000000), wk = 0.0042373 k( 195) = ( 0.0450451 0.0450450 0.5000000), wk = 0.0042373 k( 196) = ( 0.0360360 0.0360360 0.5000000), wk = 0.0042373 k( 197) = ( 0.0270270 0.0270270 0.5000000), wk = 0.0042373 k( 198) = ( 0.0180180 0.0180180 0.5000000), wk = 0.0042373 k( 199) = ( 0.0090090 0.0090090 0.5000000), wk = 0.0042373 k( 200) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0042373 k( 201) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0042373 k( 202) = ( 0.5000000 0.0000000 0.4705882), wk = 0.0042373 k( 203) = ( 0.5000000 0.0000000 0.4411765), wk = 0.0042373 k( 204) = ( 0.5000000 0.0000000 0.4117647), wk = 0.0042373 k( 205) = ( 0.5000000 0.0000000 0.3823529), wk = 0.0042373 k( 206) = ( 0.5000000 0.0000000 0.3529412), wk = 0.0042373 k( 207) = ( 0.5000000 0.0000000 0.3235294), wk = 0.0042373 k( 208) = ( 0.5000000 0.0000000 0.2941177), wk = 0.0042373 k( 209) = ( 0.5000000 0.0000000 0.2647059), wk = 0.0042373 k( 210) = ( 0.5000000 0.0000000 0.2352941), wk = 0.0042373 k( 211) = ( 0.5000000 0.0000000 0.2058823), wk = 0.0042373 k( 212) = ( 0.5000000 0.0000000 0.1764706), wk = 0.0042373 k( 213) = ( 0.5000000 0.0000000 0.1470588), wk = 0.0042373 k( 214) = ( 0.5000000 0.0000000 0.1176471), wk = 0.0042373 k( 215) = ( 0.5000000 0.0000000 0.0882353), wk = 0.0042373 k( 216) = ( 0.5000000 0.0000000 0.0588235), wk = 0.0042373 k( 217) = ( 0.5000000 0.0000000 0.0294118), wk = 0.0042373 k( 218) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0042373 k( 219) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0042373 k( 220) = ( 0.3333333 0.3333333 0.0294118), wk = 0.0042373 k( 221) = ( 0.3333333 0.3333333 0.0588235), wk = 0.0042373 k( 222) = ( 0.3333333 0.3333333 0.0882353), wk = 0.0042373 k( 223) = ( 0.3333333 0.3333333 0.1176471), wk = 0.0042373 k( 224) = ( 0.3333333 0.3333333 0.1470588), wk = 0.0042373 k( 225) = ( 0.3333333 0.3333333 0.1764706), wk = 0.0042373 k( 226) = ( 0.3333333 0.3333333 0.2058823), wk = 0.0042373 k( 227) = ( 0.3333333 0.3333333 0.2352941), wk = 0.0042373 k( 228) = ( 0.3333333 0.3333333 0.2647059), wk = 0.0042373 k( 229) = ( 0.3333333 0.3333333 0.2941177), wk = 0.0042373 k( 230) = ( 0.3333333 0.3333333 0.3235294), wk = 0.0042373 k( 231) = ( 0.3333333 0.3333333 0.3529412), wk = 0.0042373 k( 232) = ( 0.3333333 0.3333333 0.3823529), wk = 0.0042373 k( 233) = ( 0.3333333 0.3333333 0.4117647), wk = 0.0042373 k( 234) = ( 0.3333333 0.3333333 0.4411765), wk = 0.0042373 k( 235) = ( 0.3333333 0.3333333 0.4705882), wk = 0.0042373 k( 236) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0042373 Dense grid: 271409 G-vectors FFT dimensions: ( 72, 72, 120) Smooth grid: 172427 G-vectors FFT dimensions: ( 64, 64, 108) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.65 Mb ( 622, 68) NL pseudopotentials 1.50 Mb ( 311, 316) Each V/rho on FFT grid 0.16 Mb ( 10368) Each G-vector array 0.03 Mb ( 3765) G-vector shells 0.01 Mb ( 1797) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 2.58 Mb ( 622, 272) Each subspace H/S matrix 0.03 Mb ( 45, 45) Each matrix 0.66 Mb ( 316, 2, 68) The potential is recalculated from file : ./Cs2Pt.save/charge-density.dat Starting wfc are 76 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 5.2 secs Computing kpt #: 2 total cpu time spent up to now is 8.3 secs Computing kpt #: 3 total cpu time spent up to now is 11.2 secs Computing kpt #: 4 total cpu time spent up to now is 14.4 secs Computing kpt #: 5 total cpu time spent up to now is 17.4 secs Computing kpt #: 6 total cpu time spent up to now is 20.4 secs Computing kpt #: 7 total cpu time spent up to now is 23.1 secs Computing kpt #: 8 total cpu time spent up to now is 25.8 secs Computing kpt #: 9 total cpu time spent up to now is 28.5 secs Computing kpt #: 10 total cpu time spent up to now is 31.1 secs Computing kpt #: 11 total cpu time spent up to now is 33.8 secs Computing kpt #: 12 total cpu time spent up to now is 36.4 secs Computing kpt #: 13 total cpu time spent up to now is 39.0 secs Computing kpt #: 14 total cpu time spent up to now is 41.6 secs Computing kpt #: 15 total cpu time spent up to now is 44.2 secs Computing kpt #: 16 total cpu time spent up to now is 46.9 secs Computing kpt #: 17 total cpu time spent up to now is 49.5 secs Computing kpt #: 18 total cpu time spent up to now is 52.1 secs Computing kpt #: 19 total cpu time spent up to now is 54.8 secs Computing kpt #: 20 total cpu time spent up to now is 57.4 secs Computing kpt #: 21 total cpu time spent up to now is 60.0 secs Computing kpt #: 22 total cpu time spent up to now is 62.7 secs Computing kpt #: 23 total cpu time spent up to now is 65.3 secs Computing kpt #: 24 total cpu time spent up to now is 67.9 secs Computing kpt #: 25 total cpu time spent up to now is 70.6 secs Computing kpt #: 26 total cpu time spent up to now is 73.2 secs Computing kpt #: 27 total cpu time spent up to now is 75.9 secs Computing kpt #: 28 total cpu time spent up to now is 78.4 secs Computing kpt #: 29 total cpu time spent up to now is 81.0 secs Computing kpt #: 30 total cpu time spent up to now is 83.5 secs Computing kpt #: 31 total cpu time spent up to now is 86.0 secs Computing kpt #: 32 total cpu time spent up to now is 88.6 secs Computing kpt #: 33 total cpu time spent up to now is 91.0 secs Computing kpt #: 34 total cpu time spent up to now is 93.5 secs Computing kpt #: 35 total cpu time spent up to now is 96.0 secs Computing kpt #: 36 total cpu time spent up to now is 98.6 secs Computing kpt #: 37 total cpu time spent up to now is 101.3 secs Computing kpt #: 38 total cpu time spent up to now is 104.2 secs Computing kpt #: 39 total cpu time spent up to now is 107.4 secs Computing kpt #: 40 total cpu time spent up to now is 110.9 secs Computing kpt #: 41 total cpu time spent up to now is 115.0 secs Computing kpt #: 42 total cpu time spent up to now is 119.2 secs Computing kpt #: 43 total cpu time spent up to now is 122.3 secs Computing kpt #: 44 total cpu time spent up to now is 126.0 secs Computing kpt #: 45 total cpu time spent up to now is 130.3 secs Computing kpt #: 46 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 135.3 secs Computing kpt #: 47 total cpu time spent up to now is 140.0 secs Computing kpt #: 48 total cpu time spent up to now is 143.1 secs Computing kpt #: 49 total cpu time spent up to now is 146.1 secs Computing kpt #: 50 total cpu time spent up to now is 149.0 secs Computing kpt #: 51 total cpu time spent up to now is 151.6 secs Computing kpt #: 52 total cpu time spent up to now is 154.1 secs Computing kpt #: 53 total cpu time spent up to now is 156.6 secs Computing kpt #: 54 total cpu time spent up to now is 159.0 secs Computing kpt #: 55 total cpu time spent up to now is 161.6 secs Computing kpt #: 56 total cpu time spent up to now is 164.1 secs Computing kpt #: 57 total cpu time spent up to now is 167.0 secs Computing kpt #: 58 total cpu time spent up to now is 170.1 secs Computing kpt #: 59 total cpu time spent up to now is 173.4 secs Computing kpt #: 60 total cpu time spent up to now is 176.5 secs Computing kpt #: 61 total cpu time spent up to now is 180.0 secs Computing kpt #: 62 total cpu time spent up to now is 183.0 secs Computing kpt #: 63 total cpu time spent up to now is 185.5 secs Computing kpt #: 64 total cpu time spent up to now is 188.2 secs Computing kpt #: 65 total cpu time spent up to now is 190.8 secs Computing kpt #: 66 total cpu time spent up to now is 193.4 secs Computing kpt #: 67 total cpu time spent up to now is 196.0 secs Computing kpt #: 68 total cpu time spent up to now is 198.6 secs Computing kpt #: 69 total cpu time spent up to now is 201.1 secs Computing kpt #: 70 total cpu time spent up to now is 203.7 secs Computing kpt #: 71 total cpu time spent up to now is 206.3 secs Computing kpt #: 72 total cpu time spent up to now is 208.9 secs Computing kpt #: 73 total cpu time spent up to now is 211.5 secs Computing kpt #: 74 total cpu time spent up to now is 214.2 secs Computing kpt #: 75 total cpu time spent up to now is 216.8 secs Computing kpt #: 76 total cpu time spent up to now is 219.4 secs Computing kpt #: 77 total cpu time spent up to now is 222.1 secs Computing kpt #: 78 total cpu time spent up to now is 224.8 secs Computing kpt #: 79 total cpu time spent up to now is 227.4 secs Computing kpt #: 80 total cpu time spent up to now is 230.0 secs Computing kpt #: 81 total cpu time spent up to now is 232.7 secs Computing kpt #: 82 total cpu time spent up to now is 235.3 secs Computing kpt #: 83 total cpu time spent up to now is 238.0 secs Computing kpt #: 84 total cpu time spent up to now is 240.7 secs Computing kpt #: 85 total cpu time spent up to now is 243.5 secs Computing kpt #: 86 total cpu time spent up to now is 246.5 secs Computing kpt #: 87 total cpu time spent up to now is 249.5 secs Computing kpt #: 88 total cpu time spent up to now is 252.5 secs Computing kpt #: 89 total cpu time spent up to now is 255.5 secs Computing kpt #: 90 total cpu time spent up to now is 258.5 secs Computing kpt #: 91 total cpu time spent up to now is 261.6 secs Computing kpt #: 92 total cpu time spent up to now is 264.6 secs Computing kpt #: 93 total cpu time spent up to now is 267.7 secs Computing kpt #: 94 total cpu time spent up to now is 270.8 secs Computing kpt #: 95 total cpu time spent up to now is 273.8 secs Computing kpt #: 96 total cpu time spent up to now is 277.2 secs Computing kpt #: 97 total cpu time spent up to now is 280.3 secs Computing kpt #: 98 total cpu time spent up to now is 283.4 secs Computing kpt #: 99 total cpu time spent up to now is 286.4 secs Computing kpt #: 100 total cpu time spent up to now is 289.1 secs Computing kpt #: 101 total cpu time spent up to now is 291.7 secs Computing kpt #: 102 total cpu time spent up to now is 294.3 secs Computing kpt #: 103 total cpu time spent up to now is 296.9 secs Computing kpt #: 104 total cpu time spent up to now is 299.4 secs Computing kpt #: 105 total cpu time spent up to now is 301.9 secs Computing kpt #: 106 total cpu time spent up to now is 304.4 secs Computing kpt #: 107 total cpu time spent up to now is 306.8 secs Computing kpt #: 108 total cpu time spent up to now is 309.3 secs Computing kpt #: 109 total cpu time spent up to now is 311.6 secs Computing kpt #: 110 total cpu time spent up to now is 314.0 secs Computing kpt #: 111 total cpu time spent up to now is 316.3 secs Computing kpt #: 112 total cpu time spent up to now is 318.6 secs Computing kpt #: 113 total cpu time spent up to now is 321.0 secs Computing kpt #: 114 total cpu time spent up to now is 323.4 secs Computing kpt #: 115 total cpu time spent up to now is 325.8 secs Computing kpt #: 116 total cpu time spent up to now is 328.3 secs Computing kpt #: 117 total cpu time spent up to now is 330.6 secs Computing kpt #: 118 total cpu time spent up to now is 333.1 secs Computing kpt #: 119 total cpu time spent up to now is 335.5 secs Computing kpt #: 120 total cpu time spent up to now is 338.0 secs Computing kpt #: 121 total cpu time spent up to now is 340.4 secs Computing kpt #: 122 total cpu time spent up to now is 342.9 secs Computing kpt #: 123 total cpu time spent up to now is 345.4 secs Computing kpt #: 124 total cpu time spent up to now is 347.9 secs Computing kpt #: 125 total cpu time spent up to now is 350.3 secs Computing kpt #: 126 total cpu time spent up to now is 352.8 secs Computing kpt #: 127 total cpu time spent up to now is 355.3 secs Computing kpt #: 128 total cpu time spent up to now is 357.8 secs Computing kpt #: 129 total cpu time spent up to now is 360.2 secs Computing kpt #: 130 total cpu time spent up to now is 362.8 secs Computing kpt #: 131 total cpu time spent up to now is 365.3 secs Computing kpt #: 132 total cpu time spent up to now is 367.9 secs Computing kpt #: 133 total cpu time spent up to now is 370.4 secs Computing kpt #: 134 total cpu time spent up to now is 372.9 secs Computing kpt #: 135 total cpu time spent up to now is 375.5 secs Computing kpt #: 136 total cpu time spent up to now is 378.2 secs Computing kpt #: 137 total cpu time spent up to now is 380.9 secs Computing kpt #: 138 total cpu time spent up to now is 383.9 secs Computing kpt #: 139 total cpu time spent up to now is 386.9 secs Computing kpt #: 140 total cpu time spent up to now is 390.3 secs Computing kpt #: 141 total cpu time spent up to now is 393.6 secs Computing kpt #: 142 total cpu time spent up to now is 397.3 secs Computing kpt #: 143 total cpu time spent up to now is 400.9 secs Computing kpt #: 144 total cpu time spent up to now is 404.6 secs Computing kpt #: 145 total cpu time spent up to now is 407.7 secs Computing kpt #: 146 total cpu time spent up to now is 410.8 secs Computing kpt #: 147 total cpu time spent up to now is 413.8 secs Computing kpt #: 148 total cpu time spent up to now is 416.5 secs Computing kpt #: 149 total cpu time spent up to now is 419.1 secs Computing kpt #: 150 total cpu time spent up to now is 421.7 secs Computing kpt #: 151 total cpu time spent up to now is 424.3 secs Computing kpt #: 152 total cpu time spent up to now is 426.9 secs Computing kpt #: 153 total cpu time spent up to now is 429.5 secs Computing kpt #: 154 total cpu time spent up to now is 432.0 secs Computing kpt #: 155 total cpu time spent up to now is 434.5 secs Computing kpt #: 156 total cpu time spent up to now is 437.0 secs Computing kpt #: 157 total cpu time spent up to now is 439.5 secs Computing kpt #: 158 total cpu time spent up to now is 441.9 secs Computing kpt #: 159 total cpu time spent up to now is 444.3 secs Computing kpt #: 160 total cpu time spent up to now is 446.7 secs Computing kpt #: 161 total cpu time spent up to now is 449.1 secs Computing kpt #: 162 total cpu time spent up to now is 451.4 secs Computing kpt #: 163 total cpu time spent up to now is 453.7 secs Computing kpt #: 164 total cpu time spent up to now is 456.0 secs Computing kpt #: 165 total cpu time spent up to now is 458.4 secs Computing kpt #: 166 total cpu time spent up to now is 460.8 secs Computing kpt #: 167 total cpu time spent up to now is 463.2 secs Computing kpt #: 168 total cpu time spent up to now is 465.6 secs Computing kpt #: 169 total cpu time spent up to now is 468.1 secs Computing kpt #: 170 total cpu time spent up to now is 470.5 secs Computing kpt #: 171 total cpu time spent up to now is 473.0 secs Computing kpt #: 172 total cpu time spent up to now is 475.5 secs Computing kpt #: 173 total cpu time spent up to now is 478.5 secs Computing kpt #: 174 total cpu time spent up to now is 481.1 secs Computing kpt #: 175 total cpu time spent up to now is 483.6 secs Computing kpt #: 176 total cpu time spent up to now is 486.2 secs Computing kpt #: 177 total cpu time spent up to now is 488.8 secs Computing kpt #: 178 total cpu time spent up to now is 491.3 secs Computing kpt #: 179 total cpu time spent up to now is 493.9 secs Computing kpt #: 180 total cpu time spent up to now is 496.4 secs Computing kpt #: 181 total cpu time spent up to now is 498.9 secs Computing kpt #: 182 total cpu time spent up to now is 501.4 secs Computing kpt #: 183 total cpu time spent up to now is 504.0 secs Computing kpt #: 184 total cpu time spent up to now is 506.4 secs Computing kpt #: 185 total cpu time spent up to now is 508.9 secs Computing kpt #: 186 total cpu time spent up to now is 511.4 secs Computing kpt #: 187 total cpu time spent up to now is 513.8 secs Computing kpt #: 188 total cpu time spent up to now is 516.3 secs Computing kpt #: 189 total cpu time spent up to now is 518.8 secs Computing kpt #: 190 total cpu time spent up to now is 521.1 secs Computing kpt #: 191 total cpu time spent up to now is 523.6 secs Computing kpt #: 192 total cpu time spent up to now is 526.1 secs Computing kpt #: 193 total cpu time spent up to now is 528.4 secs Computing kpt #: 194 total cpu time spent up to now is 530.9 secs Computing kpt #: 195 total cpu time spent up to now is 533.3 secs Computing kpt #: 196 total cpu time spent up to now is 535.8 secs Computing kpt #: 197 total cpu time spent up to now is 538.3 secs Computing kpt #: 198 total cpu time spent up to now is 540.7 secs Computing kpt #: 199 total cpu time spent up to now is 543.2 secs Computing kpt #: 200 total cpu time spent up to now is 545.5 secs Computing kpt #: 201 total cpu time spent up to now is 549.2 secs Computing kpt #: 202 total cpu time spent up to now is 553.0 secs Computing kpt #: 203 total cpu time spent up to now is 557.0 secs Computing kpt #: 204 total cpu time spent up to now is 560.6 secs Computing kpt #: 205 total cpu time spent up to now is 563.9 secs Computing kpt #: 206 total cpu time spent up to now is 567.1 secs Computing kpt #: 207 total cpu time spent up to now is 570.2 secs Computing kpt #: 208 total cpu time spent up to now is 573.2 secs Computing kpt #: 209 total cpu time spent up to now is 575.9 secs Computing kpt #: 210 total cpu time spent up to now is 578.6 secs Computing kpt #: 211 total cpu time spent up to now is 581.3 secs Computing kpt #: 212 total cpu time spent up to now is 583.8 secs Computing kpt #: 213 total cpu time spent up to now is 586.3 secs Computing kpt #: 214 total cpu time spent up to now is 588.9 secs Computing kpt #: 215 total cpu time spent up to now is 591.4 secs Computing kpt #: 216 total cpu time spent up to now is 593.9 secs Computing kpt #: 217 total cpu time spent up to now is 596.5 secs Computing kpt #: 218 total cpu time spent up to now is 599.0 secs Computing kpt #: 219 total cpu time spent up to now is 601.5 secs Computing kpt #: 220 total cpu time spent up to now is 604.0 secs Computing kpt #: 221 total cpu time spent up to now is 606.5 secs Computing kpt #: 222 total cpu time spent up to now is 609.0 secs Computing kpt #: 223 total cpu time spent up to now is 611.4 secs Computing kpt #: 224 total cpu time spent up to now is 613.9 secs Computing kpt #: 225 total cpu time spent up to now is 616.4 secs Computing kpt #: 226 total cpu time spent up to now is 618.8 secs Computing kpt #: 227 total cpu time spent up to now is 621.2 secs Computing kpt #: 228 total cpu time spent up to now is 623.7 secs Computing kpt #: 229 total cpu time spent up to now is 626.1 secs Computing kpt #: 230 total cpu time spent up to now is 628.5 secs Computing kpt #: 231 total cpu time spent up to now is 630.9 secs Computing kpt #: 232 total cpu time spent up to now is 633.3 secs Computing kpt #: 233 total cpu time spent up to now is 635.6 secs Computing kpt #: 234 total cpu time spent up to now is 637.9 secs Computing kpt #: 235 total cpu time spent up to now is 640.2 secs Computing kpt #: 236 total cpu time spent up to now is 642.5 secs ethr = 1.79E-08, avg # of iterations = 37.8 total cpu time spent up to now is 642.5 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 21603 PWs) bands (ev): -15.0881 -15.0881 -15.0301 -15.0301 -14.4770 -14.4770 -14.4349 -14.4349 -3.9399 -3.9399 -3.8524 -3.8524 -3.3716 -3.3716 -3.1509 -3.1509 -2.5819 -2.5819 -2.5283 -2.5283 -2.4949 -2.4949 -2.3238 -2.3238 -2.0153 -2.0153 -1.9559 -1.9559 -1.6641 -1.6641 -1.6266 -1.6266 4.0120 4.0120 4.5931 4.5931 4.7225 4.7225 4.8275 4.8275 4.9257 4.9257 4.9698 4.9698 5.6394 5.6394 5.7900 5.7900 6.0421 6.0421 6.0514 6.0514 6.0603 6.0603 6.1805 6.1805 7.5495 7.5495 7.8169 7.8169 7.9278 7.9278 8.4845 8.4845 8.8556 8.8556 8.9975 8.9975 k = 0.0156 0.0090-0.0000 ( 21595 PWs) bands (ev): -15.0880 -15.0880 -15.0301 -15.0301 -14.4770 -14.4770 -14.4350 -14.4350 -3.9397 -3.9397 -3.8527 -3.8527 -3.3723 -3.3723 -3.1514 -3.1514 -2.5816 -2.5816 -2.5281 -2.5281 -2.4950 -2.4950 -2.3247 -2.3247 -2.0141 -2.0141 -1.9551 -1.9551 -1.6647 -1.6647 -1.6271 -1.6271 4.0149 4.0149 4.5935 4.5935 4.7212 4.7212 4.8272 4.8272 4.9249 4.9249 4.9704 4.9704 5.6401 5.6401 5.7903 5.7903 6.0415 6.0415 6.0512 6.0512 6.0604 6.0604 6.1790 6.1790 7.5502 7.5502 7.8195 7.8195 7.9314 7.9314 8.4816 8.4816 8.8564 8.8564 8.9974 8.9974 k = 0.0312 0.0180-0.0000 ( 21589 PWs) bands (ev): -15.0878 -15.0878 -15.0300 -15.0300 -14.4769 -14.4769 -14.4352 -14.4352 -3.9393 -3.9393 -3.8535 -3.8535 -3.3745 -3.3745 -3.1529 -3.1529 -2.5809 -2.5809 -2.5275 -2.5275 -2.4953 -2.4953 -2.3273 -2.3273 -2.0104 -2.0104 -1.9528 -1.9528 -1.6665 -1.6665 -1.6284 -1.6284 4.0233 4.0233 4.5947 4.5947 4.7173 4.7173 4.8264 4.8264 4.9224 4.9224 4.9722 4.9722 5.6423 5.6423 5.7913 5.7913 6.0401 6.0401 6.0504 6.0504 6.0605 6.0605 6.1743 6.1743 7.5525 7.5525 7.8273 7.8273 7.9421 7.9421 8.4730 8.4730 8.8587 8.8587 8.9966 8.9966 k = 0.0469 0.0271-0.0000 ( 21587 PWs) bands (ev): -15.0873 -15.0873 -15.0300 -15.0300 -14.4769 -14.4769 -14.4356 -14.4356 -3.9385 -3.9385 -3.8549 -3.8549 -3.3781 -3.3781 -3.1553 -3.1553 -2.5797 -2.5797 -2.5266 -2.5266 -2.4956 -2.4956 -2.3313 -2.3313 -2.0044 -2.0044 -1.9490 -1.9490 -1.6696 -1.6696 -1.6305 -1.6305 4.0373 4.0373 4.5968 4.5968 4.7111 4.7111 4.8252 4.8252 4.9182 4.9182 4.9750 4.9750 5.6460 5.6460 5.7927 5.7927 6.0378 6.0378 6.0490 6.0490 6.0604 6.0604 6.1667 6.1667 7.5564 7.5564 7.8403 7.8403 7.9597 7.9597 8.4586 8.4586 8.8622 8.8622 8.9936 8.9936 k = 0.0625 0.0361-0.0000 ( 21587 PWs) bands (ev): -15.0867 -15.0867 -15.0299 -15.0299 -14.4767 -14.4767 -14.4361 -14.4361 -3.9374 -3.9374 -3.8569 -3.8569 -3.3829 -3.3829 -3.1588 -3.1588 -2.5783 -2.5783 -2.5255 -2.5255 -2.4956 -2.4956 -2.3365 -2.3365 -1.9965 -1.9965 -1.9439 -1.9439 -1.6742 -1.6742 -1.6330 -1.6330 4.0568 4.0568 4.5996 4.5996 4.7029 4.7029 4.8236 4.8236 4.9123 4.9123 4.9788 4.9788 5.6512 5.6512 5.7947 5.7947 6.0350 6.0350 6.0471 6.0471 6.0599 6.0599 6.1565 6.1565 7.5616 7.5616 7.8582 7.8582 7.9841 7.9841 8.4388 8.4388 8.8669 8.8669 8.9871 8.9871 k = 0.0781 0.0451-0.0000 ( 21577 PWs) bands (ev): -15.0860 -15.0860 -15.0298 -15.0298 -14.4766 -14.4766 -14.4368 -14.4368 -3.9361 -3.9361 -3.8593 -3.8593 -3.3890 -3.3890 -3.1632 -3.1632 -2.5771 -2.5771 -2.5242 -2.5242 -2.4951 -2.4951 -2.3425 -2.3425 -1.9870 -1.9870 -1.9376 -1.9376 -1.6802 -1.6802 -1.6358 -1.6358 4.0814 4.0814 4.6032 4.6032 4.6931 4.6931 4.8218 4.8218 4.9048 4.9048 4.9832 4.9832 5.6577 5.6577 5.7972 5.7972 6.0316 6.0316 6.0445 6.0445 6.0587 6.0587 6.1439 6.1439 7.5684 7.5684 7.8809 7.8809 8.0147 8.0147 8.4139 8.4139 8.8721 8.8721 8.9764 8.9764 k = 0.0938 0.0541-0.0000 ( 21581 PWs) bands (ev): -15.0851 -15.0851 -15.0297 -15.0297 -14.4764 -14.4764 -14.4376 -14.4376 -3.9345 -3.9345 -3.8622 -3.8622 -3.3962 -3.3962 -3.1685 -3.1685 -2.5764 -2.5764 -2.5227 -2.5227 -2.4939 -2.4939 -2.3487 -2.3487 -1.9763 -1.9763 -1.9302 -1.9302 -1.6879 -1.6879 -1.6386 -1.6386 4.1111 4.1111 4.6075 4.6075 4.6822 4.6822 4.8199 4.8199 4.8957 4.8957 4.9881 4.9881 5.6654 5.6654 5.7999 5.7999 6.0277 6.0277 6.0411 6.0411 6.0564 6.0564 6.1296 6.1296 7.5765 7.5765 7.9083 7.9083 8.0511 8.0511 8.3849 8.3849 8.8771 8.8771 8.9621 8.9621 k = 0.1094 0.0631-0.0000 ( 21567 PWs) bands (ev): -15.0840 -15.0840 -15.0296 -15.0296 -14.4762 -14.4762 -14.4385 -14.4385 -3.9327 -3.9327 -3.8655 -3.8655 -3.4043 -3.4043 -3.1748 -3.1748 -2.5765 -2.5765 -2.5209 -2.5209 -2.4919 -2.4919 -2.3549 -2.3549 -1.9647 -1.9647 -1.9221 -1.9221 -1.6971 -1.6971 -1.6413 -1.6413 4.1455 4.1455 4.6125 4.6125 4.6707 4.6707 4.8178 4.8178 4.8854 4.8854 4.9930 4.9930 5.6744 5.6744 5.8030 5.8030 6.0234 6.0234 6.0366 6.0366 6.0531 6.0531 6.1141 6.1141 7.5861 7.5861 7.9402 7.9402 8.0919 8.0919 8.3532 8.3532 8.8792 8.8792 8.9470 8.9470 k = 0.1250 0.0722-0.0000 ( 21543 PWs) bands (ev): -15.0828 -15.0828 -15.0294 -15.0294 -14.4759 -14.4759 -14.4396 -14.4396 -3.9307 -3.9307 -3.8692 -3.8692 -3.4133 -3.4133 -3.1819 -3.1819 -2.5777 -2.5777 -2.5185 -2.5185 -2.4893 -2.4893 -2.3604 -2.3604 -1.9527 -1.9527 -1.9132 -1.9132 -1.7078 -1.7078 -1.6436 -1.6436 4.1844 4.1844 4.6180 4.6180 4.6591 4.6591 4.8156 4.8156 4.8740 4.8740 4.9979 4.9979 5.6845 5.6845 5.8062 5.8062 6.0186 6.0186 6.0303 6.0303 6.0486 6.0486 6.0987 6.0987 7.5971 7.5971 7.9761 7.9761 8.1352 8.1352 8.3215 8.3215 8.8726 8.8726 8.9374 8.9374 k = 0.1406 0.0812-0.0000 ( 21549 PWs) bands (ev): -15.0814 -15.0814 -15.0293 -15.0293 -14.4757 -14.4757 -14.4407 -14.4407 -3.9285 -3.9285 -3.8731 -3.8731 -3.4229 -3.4229 -3.1898 -3.1898 -2.5802 -2.5802 -2.5153 -2.5153 -2.4865 -2.4865 -2.3648 -2.3648 -1.9408 -1.9408 -1.9038 -1.9038 -1.7197 -1.7197 -1.6456 -1.6456 4.2272 4.2272 4.6241 4.6241 4.6478 4.6478 4.8133 4.8133 4.8618 4.8618 5.0026 5.0026 5.6956 5.6956 5.8096 5.8096 6.0134 6.0134 6.0208 6.0208 6.0435 6.0435 6.0843 6.0843 7.6095 7.6095 8.0158 8.0158 8.1743 8.1743 8.2967 8.2967 8.8527 8.8527 8.9386 8.9386 k = 0.1562 0.0902-0.0000 ( 21545 PWs) bands (ev): -15.0800 -15.0800 -15.0291 -15.0291 -14.4754 -14.4754 -14.4420 -14.4420 -3.9262 -3.9262 -3.8773 -3.8773 -3.4331 -3.4331 -3.1985 -3.1985 -2.5838 -2.5838 -2.5117 -2.5117 -2.4838 -2.4838 -2.3675 -2.3675 -1.9294 -1.9294 -1.8941 -1.8941 -1.7327 -1.7327 -1.6470 -1.6470 4.2736 4.2736 4.6298 4.6298 4.6380 4.6380 4.8109 4.8109 4.8489 4.8489 5.0069 5.0069 5.7075 5.7075 5.8131 5.8131 6.0064 6.0064 6.0085 6.0085 6.0380 6.0380 6.0720 6.0720 7.6234 7.6234 8.0582 8.0582 8.1902 8.1902 8.2991 8.2991 8.8231 8.8231 8.9474 8.9474 k = 0.1719 0.0992-0.0000 ( 21569 PWs) bands (ev): -15.0784 -15.0784 -15.0289 -15.0289 -14.4751 -14.4751 -14.4433 -14.4433 -3.9239 -3.9239 -3.8815 -3.8815 -3.4437 -3.4437 -3.2079 -3.2079 -2.5884 -2.5884 -2.5078 -2.5078 -2.4813 -2.4813 -2.3681 -2.3681 -1.9189 -1.9189 -1.8840 -1.8840 -1.7464 -1.7464 -1.6478 -1.6478 4.3230 4.3230 4.6259 4.6259 4.6391 4.6391 4.8085 4.8085 4.8356 4.8356 5.0107 5.0107 5.7202 5.7202 5.8167 5.8167 5.9890 5.9890 6.0022 6.0022 6.0323 6.0323 6.0619 6.0619 7.6387 7.6387 8.0991 8.0991 8.1779 8.1779 8.3370 8.3370 8.7882 8.7882 8.9600 8.9600 k = 0.1875 0.1083-0.0000 ( 21571 PWs) bands (ev): -15.0768 -15.0768 -15.0287 -15.0287 -14.4748 -14.4748 -14.4448 -14.4448 -3.9219 -3.9219 -3.8856 -3.8856 -3.4546 -3.4546 -3.2178 -3.2178 -2.5936 -2.5936 -2.5045 -2.5045 -2.4789 -2.4789 -2.3663 -2.3663 -1.9098 -1.9098 -1.8739 -1.8739 -1.7604 -1.7604 -1.6478 -1.6478 4.3748 4.3748 4.6177 4.6177 4.6462 4.6462 4.8059 4.8059 4.8224 4.8224 5.0140 5.0140 5.7334 5.7334 5.8203 5.8203 5.9684 5.9684 5.9962 5.9962 6.0259 6.0259 6.0535 6.0535 7.6554 7.6554 8.1139 8.1139 8.1828 8.1828 8.3892 8.3892 8.7505 8.7505 8.9749 8.9749 k = 0.2031 0.1173-0.0000 ( 21559 PWs) bands (ev): -15.0750 -15.0750 -15.0285 -15.0285 -14.4744 -14.4744 -14.4462 -14.4462 -3.9202 -3.9202 -3.8892 -3.8892 -3.4657 -3.4657 -3.2283 -3.2283 -2.5994 -2.5994 -2.5025 -2.5025 -2.4757 -2.4757 -2.3621 -2.3621 -1.9024 -1.9024 -1.8645 -1.8645 -1.7740 -1.7740 -1.6469 -1.6469 4.4281 4.4281 4.6107 4.6107 4.6539 4.6539 4.8029 4.8029 4.8100 4.8100 5.0166 5.0166 5.7471 5.7471 5.8239 5.8239 5.9462 5.9462 5.9901 5.9901 6.0185 6.0185 6.0466 6.0466 7.6731 7.6731 8.0906 8.0906 8.2262 8.2262 8.4448 8.4448 8.7115 8.7115 8.9915 8.9915 k = 0.2188 0.1263-0.0000 ( 21565 PWs) bands (ev): -15.0733 -15.0733 -15.0283 -15.0283 -14.4741 -14.4741 -14.4478 -14.4478 -3.9195 -3.9195 -3.8920 -3.8920 -3.4767 -3.4767 -3.2391 -3.2391 -2.6055 -2.6055 -2.5027 -2.5027 -2.4710 -2.4710 -2.3557 -2.3557 -1.8968 -1.8968 -1.8571 -1.8571 -1.7858 -1.7858 -1.6451 -1.6451 4.4816 4.4816 4.6054 4.6054 4.6619 4.6619 4.7959 4.7959 4.8029 4.8029 5.0186 5.0186 5.7609 5.7609 5.8274 5.8274 5.9235 5.9235 5.9841 5.9841 6.0097 6.0097 6.0408 6.0408 7.6918 7.6918 8.0593 8.0593 8.2801 8.2801 8.4994 8.4994 8.6733 8.6733 9.0099 9.0099 k = 0.2344 0.1353-0.0000 ( 21556 PWs) bands (ev): -15.0714 -15.0714 -15.0281 -15.0281 -14.4738 -14.4738 -14.4494 -14.4494 -3.9200 -3.9200 -3.8934 -3.8934 -3.4877 -3.4877 -3.2503 -3.2503 -2.6118 -2.6118 -2.5047 -2.5047 -2.4650 -2.4650 -2.3474 -2.3474 -1.8931 -1.8931 -1.8543 -1.8543 -1.7933 -1.7933 -1.6424 -1.6424 4.5331 4.5331 4.6026 4.6026 4.6698 4.6698 4.7872 4.7872 4.8003 4.8003 5.0200 5.0200 5.7746 5.7746 5.8304 5.8304 5.9013 5.9013 5.9783 5.9783 5.9998 5.9998 6.0359 6.0359 7.7108 7.7108 8.0274 8.0274 8.3374 8.3374 8.5479 8.5479 8.6403 8.6403 9.0304 9.0304 k = 0.2500 0.1443-0.0000 ( 21554 PWs) bands (ev): -15.0696 -15.0696 -15.0278 -15.0278 -14.4735 -14.4735 -14.4509 -14.4509 -3.9221 -3.9221 -3.8932 -3.8932 -3.4985 -3.4985 -3.2616 -3.2616 -2.6182 -2.6182 -2.5079 -2.5079 -2.4578 -2.4578 -2.3378 -2.3378 -1.8912 -1.8912 -1.8587 -1.8587 -1.7940 -1.7940 -1.6387 -1.6387 4.5755 4.5755 4.6060 4.6060 4.6771 4.6771 4.7829 4.7829 4.7993 4.7993 5.0206 5.0206 5.7879 5.7879 5.8319 5.8319 5.8812 5.8812 5.9728 5.9728 5.9890 5.9890 6.0314 6.0314 7.7297 7.7297 7.9961 7.9961 8.3960 8.3960 8.5683 8.5683 8.6342 8.6342 9.0541 9.0541 k = 0.2656 0.1534-0.0000 ( 21542 PWs) bands (ev): -15.0677 -15.0677 -15.0276 -15.0276 -14.4732 -14.4732 -14.4525 -14.4525 -3.9254 -3.9254 -3.8918 -3.8918 -3.5091 -3.5091 -3.2730 -3.2730 -2.6246 -2.6246 -2.5120 -2.5120 -2.4500 -2.4500 -2.3270 -2.3270 -1.8910 -1.8910 -1.8692 -1.8692 -1.7888 -1.7888 -1.6342 -1.6342 4.5906 4.5906 4.6293 4.6293 4.6822 4.6822 4.7855 4.7855 4.8032 4.8032 5.0207 5.0207 5.8002 5.8002 5.8290 5.8290 5.8669 5.8669 5.9678 5.9678 5.9777 5.9777 6.0272 6.0272 7.7474 7.7474 7.9658 7.9658 8.4539 8.4539 8.5486 8.5486 8.6685 8.6685 9.0821 9.0821 k = 0.2812 0.1624-0.0000 ( 21536 PWs) bands (ev): -15.0658 -15.0658 -15.0274 -15.0274 -14.4729 -14.4729 -14.4541 -14.4541 -3.9293 -3.9293 -3.8895 -3.8895 -3.5193 -3.5193 -3.2844 -3.2844 -2.6308 -2.6308 -2.5163 -2.5163 -2.4416 -2.4416 -2.3155 -2.3155 -1.8931 -1.8931 -1.8824 -1.8824 -1.7807 -1.7807 -1.6289 -1.6289 4.5938 4.5938 4.6521 4.6521 4.6845 4.6845 4.7876 4.7876 4.8245 4.8245 5.0201 5.0201 5.8086 5.8086 5.8206 5.8206 5.8624 5.8624 5.9621 5.9621 5.9675 5.9675 6.0231 6.0231 7.7631 7.7631 7.9363 7.9363 8.5054 8.5054 8.5272 8.5272 8.7108 8.7108 9.1150 9.1150 k = 0.2969 0.1714-0.0000 ( 21532 PWs) bands (ev): -15.0640 -15.0640 -15.0272 -15.0272 -14.4726 -14.4726 -14.4556 -14.4556 -3.9337 -3.9337 -3.8868 -3.8868 -3.5290 -3.5290 -3.2956 -3.2956 -2.6369 -2.6369 -2.5208 -2.5208 -2.4329 -2.4329 -2.3034 -2.3034 -1.9018 -1.9018 -1.8919 -1.8919 -1.7716 -1.7716 -1.6231 -1.6231 4.5965 4.5965 4.6599 4.6599 4.6882 4.6882 4.7870 4.7870 4.8634 4.8634 5.0191 5.0191 5.7987 5.7987 5.8238 5.8238 5.8648 5.8648 5.9516 5.9516 5.9630 5.9630 6.0191 6.0191 7.7754 7.7754 7.9078 7.9078 8.4992 8.4992 8.5622 8.5622 8.7561 8.7561 9.1527 9.1527 k = 0.3125 0.1804-0.0000 ( 21542 PWs) bands (ev): -15.0622 -15.0622 -15.0270 -15.0270 -14.4724 -14.4724 -14.4570 -14.4570 -3.9381 -3.9381 -3.8839 -3.8839 -3.5382 -3.5382 -3.3066 -3.3066 -2.6428 -2.6428 -2.5252 -2.5252 -2.4241 -2.4241 -2.2910 -2.2910 -1.9170 -1.9170 -1.8965 -1.8965 -1.7623 -1.7623 -1.6169 -1.6169 4.5999 4.5999 4.6553 4.6553 4.6958 4.6958 4.7857 4.7857 4.9108 4.9108 5.0179 5.0179 5.7823 5.7823 5.8305 5.8305 5.8703 5.8703 5.9395 5.9395 5.9616 5.9616 6.0152 6.0152 7.7829 7.7829 7.8802 7.8802 8.4853 8.4853 8.6039 8.6039 8.8066 8.8066 9.1941 9.1941 k = 0.3281 0.1894-0.0000 ( 21546 PWs) bands (ev): -15.0605 -15.0605 -15.0268 -15.0268 -14.4722 -14.4722 -14.4584 -14.4584 -3.9425 -3.9425 -3.8808 -3.8808 -3.5469 -3.5469 -3.3172 -3.3172 -2.6485 -2.6485 -2.5294 -2.5294 -2.4151 -2.4151 -2.2785 -2.2785 -1.9332 -1.9332 -1.9012 -1.9012 -1.7532 -1.7532 -1.6105 -1.6105 4.6037 4.6037 4.6463 4.6463 4.7036 4.7036 4.7844 4.7844 4.9599 4.9599 5.0180 5.0180 5.7664 5.7664 5.8354 5.8354 5.8770 5.8770 5.9274 5.9274 5.9618 5.9618 6.0114 6.0114 7.7840 7.7840 7.8543 7.8543 8.4789 8.4789 8.6379 8.6379 8.8641 8.8641 9.2370 9.2370 k = 0.3438 0.1985-0.0000 ( 21548 PWs) bands (ev): -15.0589 -15.0589 -15.0266 -15.0266 -14.4721 -14.4721 -14.4597 -14.4597 -3.9467 -3.9467 -3.8778 -3.8778 -3.5549 -3.5549 -3.3273 -3.3273 -2.6538 -2.6538 -2.5333 -2.5333 -2.4062 -2.4062 -2.2660 -2.2660 -1.9493 -1.9493 -1.9065 -1.9065 -1.7446 -1.7446 -1.6041 -1.6041 4.6071 4.6071 4.6369 4.6369 4.7107 4.7107 4.7833 4.7833 4.9965 4.9965 5.0305 5.0305 5.7520 5.7520 5.8382 5.8382 5.8834 5.8834 5.9162 5.9162 5.9635 5.9635 6.0081 6.0081 7.7768 7.7768 7.8315 7.8315 8.4808 8.4808 8.6661 8.6661 8.9277 8.9277 9.2793 9.2793 k = 0.3594 0.2075-0.0000 ( 21554 PWs) bands (ev): -15.0573 -15.0573 -15.0264 -15.0264 -14.4720 -14.4720 -14.4608 -14.4608 -3.9507 -3.9507 -3.8749 -3.8749 -3.5623 -3.5623 -3.3369 -3.3369 -2.6587 -2.6587 -2.5369 -2.5369 -2.3974 -2.3974 -2.2537 -2.2537 -1.9651 -1.9651 -1.9121 -1.9121 -1.7367 -1.7367 -1.5978 -1.5978 4.6077 4.6077 4.6307 4.6307 4.7168 4.7168 4.7825 4.7825 5.0023 5.0023 5.0721 5.0721 5.7393 5.7393 5.8395 5.8395 5.8869 5.8869 5.9083 5.9083 5.9659 5.9659 6.0058 6.0058 7.7608 7.7608 7.8129 7.8129 8.4906 8.4906 8.6912 8.6912 8.9956 8.9956 9.3185 9.3185 k = 0.3750 0.2165-0.0000 ( 21554 PWs) bands (ev): -15.0559 -15.0559 -15.0263 -15.0263 -14.4720 -14.4720 -14.4618 -14.4618 -3.9544 -3.9544 -3.8722 -3.8722 -3.5689 -3.5689 -3.3458 -3.3458 -2.6632 -2.6632 -2.5401 -2.5401 -2.3888 -2.3888 -2.2417 -2.2417 -1.9804 -1.9804 -1.9180 -1.9180 -1.7294 -1.7294 -1.5918 -1.5918 4.6025 4.6025 4.6308 4.6308 4.7221 4.7221 4.7821 4.7821 5.0006 5.0006 5.1183 5.1183 5.7286 5.7286 5.8395 5.8395 5.8828 5.8828 5.9080 5.9080 5.9679 5.9679 6.0051 6.0051 7.7385 7.7385 7.7971 7.7971 8.5072 8.5072 8.7157 8.7157 9.0656 9.0656 9.3523 9.3523 k = 0.3906 0.2255-0.0000 ( 21558 PWs) bands (ev): -15.0546 -15.0546 -15.0261 -15.0261 -14.4720 -14.4720 -14.4626 -14.4626 -3.9578 -3.9578 -3.8696 -3.8696 -3.5748 -3.5748 -3.3539 -3.3539 -2.6673 -2.6673 -2.5430 -2.5430 -2.3806 -2.3806 -2.2302 -2.2302 -1.9948 -1.9948 -1.9239 -1.9239 -1.7230 -1.7230 -1.5862 -1.5862 4.5941 4.5941 4.6349 4.6349 4.7264 4.7264 4.7821 4.7821 4.9977 4.9977 5.1623 5.1623 5.7197 5.7197 5.8386 5.8386 5.8740 5.8740 5.9127 5.9127 5.9684 5.9684 6.0067 6.0067 7.7136 7.7136 7.7821 7.7821 8.5292 8.5292 8.7405 8.7405 9.1358 9.1358 9.3790 9.3790 k = 0.4062 0.2345-0.0000 ( 21582 PWs) bands (ev): -15.0534 -15.0534 -15.0260 -15.0260 -14.4721 -14.4721 -14.4633 -14.4633 -3.9608 -3.9608 -3.8673 -3.8673 -3.5800 -3.5800 -3.3611 -3.3611 -2.6709 -2.6709 -2.5455 -2.5455 -2.3730 -2.3730 -2.2193 -2.2193 -2.0082 -2.0082 -1.9297 -1.9297 -1.7173 -1.7173 -1.5811 -1.5811 4.5853 4.5853 4.6401 4.6401 4.7299 4.7299 4.7825 4.7825 4.9946 4.9946 5.2024 5.2024 5.7127 5.7127 5.8372 5.8372 5.8646 5.8646 5.9183 5.9183 5.9670 5.9670 6.0104 6.0104 7.6888 7.6888 7.7673 7.7673 8.5544 8.5544 8.7660 8.7660 9.2042 9.2042 9.3977 9.3977 k = 0.4219 0.2436-0.0000 ( 21566 PWs) bands (ev): -15.0524 -15.0524 -15.0259 -15.0259 -14.4723 -14.4723 -14.4639 -14.4639 -3.9633 -3.9633 -3.8653 -3.8653 -3.5843 -3.5843 -3.3674 -3.3674 -2.6740 -2.6740 -2.5475 -2.5475 -2.3661 -2.3661 -2.2093 -2.2093 -2.0205 -2.0205 -1.9351 -1.9351 -1.7125 -1.7125 -1.5767 -1.5767 4.5773 4.5773 4.6452 4.6452 4.7325 4.7325 4.7832 4.7832 4.9915 4.9915 5.2378 5.2378 5.7073 5.7073 5.8355 5.8355 5.8558 5.8558 5.9238 5.9238 5.9644 5.9644 6.0154 6.0154 7.6655 7.6655 7.7531 7.7531 8.5809 8.5809 8.7917 8.7917 9.2688 9.2688 9.4089 9.4089 k = 0.4375 0.2526-0.0000 ( 21548 PWs) bands (ev): -15.0516 -15.0516 -15.0258 -15.0258 -14.4725 -14.4725 -14.4643 -14.4643 -3.9655 -3.9655 -3.8637 -3.8637 -3.5879 -3.5879 -3.3726 -3.3726 -2.6765 -2.6765 -2.5493 -2.5493 -2.3601 -2.3601 -2.2004 -2.2004 -2.0312 -2.0312 -1.9399 -1.9399 -1.7085 -1.7085 -1.5730 -1.5730 4.5703 4.5703 4.6499 4.6499 4.7345 4.7345 4.7841 4.7841 4.9887 4.9887 5.2677 5.2677 5.7033 5.7033 5.8337 5.8337 5.8483 5.8483 5.9287 5.9287 5.9613 5.9613 6.0207 6.0207 7.6448 7.6448 7.7402 7.7402 8.6066 8.6066 8.8163 8.8163 9.3264 9.3264 9.4143 9.4143 k = 0.4531 0.2616-0.0000 ( 21554 PWs) bands (ev): -15.0509 -15.0509 -15.0257 -15.0257 -14.4727 -14.4727 -14.4645 -14.4645 -3.9672 -3.9672 -3.8623 -3.8623 -3.5907 -3.5907 -3.3768 -3.3768 -2.6785 -2.6785 -2.5506 -2.5506 -2.3552 -2.3552 -2.1929 -2.1929 -2.0402 -2.0402 -1.9440 -1.9440 -1.7054 -1.7054 -1.5700 -1.5700 4.5648 4.5648 4.6538 4.6538 4.7358 4.7358 4.7850 4.7850 4.9863 4.9863 5.2917 5.2917 5.7006 5.7006 5.8318 5.8318 5.8424 5.8424 5.9328 5.9328 5.9581 5.9581 6.0254 6.0254 7.6277 7.6277 7.7295 7.7295 8.6293 8.6293 8.8385 8.8385 9.3713 9.3713 9.4192 9.4192 k = 0.4688 0.2706-0.0000 ( 21548 PWs) bands (ev): -15.0504 -15.0504 -15.0257 -15.0257 -14.4728 -14.4728 -14.4647 -14.4647 -3.9684 -3.9684 -3.8614 -3.8614 -3.5927 -3.5927 -3.3798 -3.3798 -2.6800 -2.6800 -2.5515 -2.5515 -2.3516 -2.3516 -2.1872 -2.1872 -2.0470 -2.0470 -1.9470 -1.9470 -1.7032 -1.7032 -1.5679 -1.5679 4.5607 4.5607 4.6567 4.6567 4.7367 4.7367 4.7858 4.7858 4.9845 4.9845 5.3093 5.3093 5.6988 5.6988 5.8300 5.8300 5.8384 5.8384 5.9361 5.9361 5.9554 5.9554 6.0292 6.0292 7.6149 7.6149 7.7214 7.7214 8.6472 8.6472 8.8562 8.8562 9.3910 9.3910 9.4355 9.4355 k = 0.4844 0.2797-0.0000 ( 21556 PWs) bands (ev): -15.0502 -15.0502 -15.0256 -15.0256 -14.4729 -14.4729 -14.4648 -14.4648 -3.9691 -3.9691 -3.8608 -3.8608 -3.5939 -3.5939 -3.3816 -3.3816 -2.6809 -2.6809 -2.5521 -2.5521 -2.3493 -2.3493 -2.1835 -2.1835 -2.0513 -2.0513 -1.9489 -1.9489 -1.7019 -1.7019 -1.5666 -1.5666 4.5582 4.5582 4.6585 4.6585 4.7372 4.7372 4.7864 4.7864 4.9834 4.9834 5.3200 5.3200 5.6977 5.6977 5.8285 5.8285 5.8363 5.8363 5.9382 5.9382 5.9535 5.9535 6.0315 6.0315 7.6071 7.6071 7.7164 7.7164 8.6586 8.6586 8.8678 8.8678 9.3931 9.3931 9.4552 9.4552 k = 0.5000 0.2887-0.0000 ( 21538 PWs) bands (ev): -15.0501 -15.0501 -15.0256 -15.0256 -14.4729 -14.4729 -14.4649 -14.4649 -3.9694 -3.9694 -3.8606 -3.8606 -3.5943 -3.5943 -3.3822 -3.3822 -2.6812 -2.6812 -2.5523 -2.5523 -2.3485 -2.3485 -2.1822 -2.1822 -2.0528 -2.0528 -1.9495 -1.9495 -1.7014 -1.7014 -1.5661 -1.5661 4.5574 4.5574 4.6591 4.6591 4.7373 4.7373 4.7866 4.7866 4.9830 4.9830 5.3235 5.3235 5.6974 5.6974 5.8280 5.8280 5.8357 5.8357 5.9389 5.9389 5.9528 5.9528 6.0324 6.0324 7.6044 7.6044 7.7147 7.7147 8.6626 8.6626 8.8719 8.8719 9.3928 9.3928 9.4629 9.4629 k = 0.5000 0.2887-0.0000 ( 21538 PWs) bands (ev): -15.0501 -15.0501 -15.0256 -15.0256 -14.4729 -14.4729 -14.4649 -14.4649 -3.9694 -3.9694 -3.8606 -3.8606 -3.5943 -3.5943 -3.3822 -3.3822 -2.6812 -2.6812 -2.5523 -2.5523 -2.3485 -2.3485 -2.1822 -2.1822 -2.0528 -2.0528 -1.9495 -1.9495 -1.7014 -1.7014 -1.5661 -1.5661 4.5574 4.5574 4.6591 4.6591 4.7373 4.7373 4.7866 4.7866 4.9830 4.9830 5.3235 5.3235 5.6974 5.6974 5.8280 5.8280 5.8357 5.8357 5.9389 5.9389 5.9528 5.9528 6.0324 6.0324 7.6044 7.6044 7.7147 7.7147 8.6626 8.6626 8.8719 8.8719 9.3928 9.3928 9.4629 9.4629 k = 0.4912 0.3039-0.0000 ( 21554 PWs) bands (ev): -15.0500 -15.0500 -15.0256 -15.0256 -14.4729 -14.4729 -14.4649 -14.4649 -3.9693 -3.9693 -3.8606 -3.8606 -3.5941 -3.5941 -3.3829 -3.3829 -2.6809 -2.6809 -2.5525 -2.5525 -2.3491 -2.3491 -2.1831 -2.1831 -2.0516 -2.0516 -1.9485 -1.9485 -1.7014 -1.7014 -1.5668 -1.5668 4.5572 4.5572 4.6591 4.6591 4.7371 4.7371 4.7868 4.7868 4.9840 4.9840 5.3233 5.3233 5.6965 5.6965 5.8283 5.8283 5.8353 5.8353 5.9391 5.9391 5.9536 5.9536 6.0324 6.0324 7.6072 7.6072 7.7172 7.7172 8.6596 8.6596 8.8723 8.8723 9.3359 9.3359 9.5210 9.5210 k = 0.4825 0.3191-0.0000 ( 21552 PWs) bands (ev): -15.0499 -15.0499 -15.0256 -15.0256 -14.4729 -14.4729 -14.4650 -14.4650 -3.9692 -3.9692 -3.8607 -3.8607 -3.5936 -3.5936 -3.3849 -3.3849 -2.6802 -2.6802 -2.5529 -2.5529 -2.3507 -2.3507 -2.1854 -2.1854 -2.0480 -2.0480 -1.9457 -1.9457 -1.7014 -1.7014 -1.5689 -1.5689 4.5566 4.5566 4.6590 4.6590 4.7365 4.7365 4.7876 4.7876 4.9869 4.9869 5.3226 5.3226 5.6937 5.6937 5.8292 5.8292 5.8344 5.8344 5.9394 5.9394 5.9557 5.9557 6.0327 6.0327 7.6155 7.6155 7.7248 7.7248 8.6508 8.6508 8.8735 8.8735 9.2561 9.2561 9.6045 9.6045 k = 0.4737 0.3343-0.0000 ( 21530 PWs) bands (ev): -15.0498 -15.0498 -15.0256 -15.0256 -14.4728 -14.4728 -14.4651 -14.4651 -3.9690 -3.9690 -3.8608 -3.8608 -3.5928 -3.5928 -3.3881 -3.3881 -2.6791 -2.6791 -2.5535 -2.5535 -2.3534 -2.3534 -2.1890 -2.1890 -2.0423 -2.0423 -1.9410 -1.9410 -1.7014 -1.7014 -1.5722 -1.5722 4.5556 4.5556 4.6589 4.6589 4.7355 4.7355 4.7888 4.7888 4.9918 4.9918 5.3214 5.3214 5.6892 5.6892 5.8305 5.8305 5.8333 5.8333 5.9401 5.9401 5.9590 5.9590 6.0332 6.0332 7.6291 7.6291 7.7376 7.7376 8.6365 8.6365 8.8750 8.8750 9.1767 9.1767 9.6897 9.6897 k = 0.4649 0.3494-0.0000 ( 21536 PWs) bands (ev): -15.0496 -15.0496 -15.0256 -15.0256 -14.4728 -14.4728 -14.4653 -14.4653 -3.9687 -3.9687 -3.8610 -3.8610 -3.5916 -3.5916 -3.3925 -3.3925 -2.6778 -2.6778 -2.5542 -2.5542 -2.3570 -2.3570 -2.1935 -2.1935 -2.0348 -2.0348 -1.9347 -1.9347 -1.7013 -1.7013 -1.5769 -1.5769 4.5542 4.5542 4.6587 4.6587 4.7342 4.7342 4.7904 4.7904 4.9986 4.9986 5.3198 5.3198 5.6829 5.6829 5.8301 5.8301 5.8340 5.8340 5.9411 5.9411 5.9633 5.9633 6.0339 6.0339 7.6477 7.6477 7.7554 7.7554 8.6174 8.6174 8.8760 8.8760 9.1000 9.1000 9.7733 9.7733 k = 0.4561 0.3646-0.0000 ( 21546 PWs) bands (ev): -15.0494 -15.0494 -15.0255 -15.0255 -14.4727 -14.4727 -14.4656 -14.4656 -3.9684 -3.9684 -3.8613 -3.8613 -3.5901 -3.5901 -3.3981 -3.3981 -2.6764 -2.6764 -2.5547 -2.5547 -2.3615 -2.3615 -2.1986 -2.1986 -2.0260 -2.0260 -1.9272 -1.9272 -1.7013 -1.7013 -1.5828 -1.5828 4.5525 4.5525 4.6584 4.6584 4.7328 4.7328 4.7922 4.7922 5.0073 5.0073 5.3178 5.3178 5.6751 5.6751 5.8279 5.8279 5.8367 5.8367 5.9422 5.9422 5.9683 5.9683 6.0350 6.0350 7.6709 7.6709 7.7784 7.7784 8.5939 8.5939 8.8753 8.8753 9.0277 9.0277 9.8516 9.8516 k = 0.4474 0.3798-0.0000 ( 21564 PWs) bands (ev): -15.0491 -15.0491 -15.0255 -15.0255 -14.4726 -14.4726 -14.4659 -14.4659 -3.9680 -3.9680 -3.8615 -3.8615 -3.5882 -3.5882 -3.4046 -3.4046 -2.6752 -2.6752 -2.5547 -2.5547 -2.3666 -2.3666 -2.2040 -2.2040 -2.0160 -2.0160 -1.9186 -1.9186 -1.7012 -1.7012 -1.5898 -1.5898 4.5505 4.5505 4.6579 4.6579 4.7314 4.7314 4.7942 4.7942 5.0178 5.0178 5.3156 5.3156 5.6660 5.6660 5.8252 5.8252 5.8401 5.8401 5.9434 5.9434 5.9740 5.9740 6.0364 6.0364 7.6981 7.6981 7.8065 7.8065 8.5668 8.5668 8.8693 8.8693 8.9631 8.9631 9.9170 9.9170 k = 0.4386 0.3950-0.0000 ( 21554 PWs) bands (ev): -15.0487 -15.0487 -15.0255 -15.0255 -14.4725 -14.4725 -14.4662 -14.4662 -3.9676 -3.9676 -3.8618 -3.8618 -3.5860 -3.5860 -3.4120 -3.4120 -2.6743 -2.6743 -2.5541 -2.5541 -2.3724 -2.3724 -2.2095 -2.2095 -2.0052 -2.0052 -1.9092 -1.9092 -1.7010 -1.7010 -1.5979 -1.5979 4.5482 4.5482 4.6573 4.6573 4.7300 4.7300 4.7962 4.7962 5.0300 5.0300 5.3133 5.3133 5.6557 5.6557 5.8223 5.8223 5.8440 5.8440 5.9446 5.9446 5.9802 5.9802 6.0382 6.0382 7.7288 7.7288 7.8397 7.8397 8.5369 8.5369 8.8474 8.8474 8.9166 8.9166 9.9548 9.9548 k = 0.4298 0.4102-0.0000 ( 21560 PWs) bands (ev): -15.0484 -15.0484 -15.0254 -15.0254 -14.4723 -14.4723 -14.4666 -14.4666 -3.9672 -3.9672 -3.8621 -3.8621 -3.5834 -3.5834 -3.4201 -3.4201 -2.6738 -2.6738 -2.5527 -2.5527 -2.3785 -2.3785 -2.2148 -2.2148 -1.9938 -1.9938 -1.8994 -1.8994 -1.7009 -1.7009 -1.6069 -1.6069 4.5457 4.5457 4.6564 4.6564 4.7287 4.7287 4.7982 4.7982 5.0438 5.0438 5.3107 5.3107 5.6444 5.6444 5.8193 5.8193 5.8481 5.8481 5.9455 5.9455 5.9868 5.9868 6.0402 6.0402 7.7625 7.7625 7.8776 7.8776 8.5047 8.5047 8.8021 8.8021 8.8950 8.8950 9.9407 9.9407 k = 0.4211 0.4254-0.0000 ( 21544 PWs) bands (ev): -15.0480 -15.0480 -15.0254 -15.0254 -14.4722 -14.4722 -14.4670 -14.4670 -3.9668 -3.9668 -3.8624 -3.8624 -3.5805 -3.5805 -3.4287 -3.4287 -2.6740 -2.6740 -2.5505 -2.5505 -2.3850 -2.3850 -2.2200 -2.2200 -1.9821 -1.9821 -1.8895 -1.8895 -1.7007 -1.7007 -1.6166 -1.6166 4.5430 4.5430 4.6552 4.6552 4.7275 4.7275 4.8002 4.8002 5.0590 5.0590 5.3081 5.3081 5.6325 5.6325 5.8164 5.8164 5.8525 5.8525 5.9463 5.9463 5.9936 5.9936 6.0425 6.0425 7.7986 7.7986 7.9200 7.9200 8.4711 8.4711 8.7496 8.7496 8.8815 8.8815 9.9108 9.9108 k = 0.4123 0.4406-0.0000 ( 21536 PWs) bands (ev): -15.0476 -15.0476 -15.0253 -15.0253 -14.4720 -14.4720 -14.4674 -14.4674 -3.9664 -3.9664 -3.8627 -3.8627 -3.5773 -3.5773 -3.4378 -3.4378 -2.6747 -2.6747 -2.5473 -2.5473 -2.3915 -2.3915 -2.2248 -2.2248 -1.9701 -1.9701 -1.8797 -1.8797 -1.7004 -1.7004 -1.6268 -1.6268 4.5402 4.5402 4.6538 4.6538 4.7265 4.7265 4.8021 4.8021 5.0755 5.0755 5.3054 5.3054 5.6201 5.6201 5.8136 5.8136 5.8568 5.8568 5.9468 5.9468 6.0006 6.0006 6.0448 6.0448 7.8365 7.8365 7.9662 7.9662 8.4369 8.4369 8.6988 8.6989 8.8665 8.8665 9.8858 9.8858 k = 0.4035 0.4558-0.0000 ( 21530 PWs) bands (ev): -15.0472 -15.0472 -15.0253 -15.0253 -14.4719 -14.4719 -14.4678 -14.4678 -3.9660 -3.9660 -3.8630 -3.8630 -3.5738 -3.5738 -3.4471 -3.4471 -2.6760 -2.6760 -2.5435 -2.5435 -2.3980 -2.3980 -2.2293 -2.2293 -1.9581 -1.9581 -1.8705 -1.8705 -1.7002 -1.7002 -1.6374 -1.6374 4.5374 4.5374 4.6523 4.6523 4.7257 4.7257 4.8038 4.8038 5.0928 5.0928 5.3026 5.3026 5.6076 5.6076 5.8109 5.8109 5.8610 5.8610 5.9471 5.9471 6.0075 6.0075 6.0471 6.0471 7.8757 7.8757 8.0157 8.0157 8.4032 8.4032 8.6521 8.6521 8.8469 8.8469 9.8689 9.8689 k = 0.3947 0.4710-0.0000 ( 21562 PWs) bands (ev): -15.0468 -15.0468 -15.0252 -15.0252 -14.4717 -14.4717 -14.4683 -14.4683 -3.9657 -3.9657 -3.8632 -3.8632 -3.5700 -3.5700 -3.4565 -3.4565 -2.6775 -2.6775 -2.5391 -2.5391 -2.4043 -2.4043 -2.2334 -2.2334 -1.9462 -1.9462 -1.8621 -1.8621 -1.6999 -1.6999 -1.6479 -1.6479 4.5346 4.5346 4.6507 4.6507 4.7251 4.7251 4.8054 4.8054 5.1108 5.1108 5.2996 5.2996 5.5952 5.5952 5.8084 5.8084 5.8650 5.8650 5.9472 5.9472 6.0143 6.0143 6.0493 6.0493 7.9156 7.9156 8.0673 8.0673 8.3710 8.3710 8.6102 8.6102 8.8217 8.8217 9.8600 9.8623 k = 0.3860 0.4862-0.0000 ( 21554 PWs) bands (ev): -15.0465 -15.0465 -15.0252 -15.0252 -14.4715 -14.4715 -14.4687 -14.4687 -3.9654 -3.9654 -3.8634 -3.8634 -3.5659 -3.5659 -3.4658 -3.4658 -2.6793 -2.6793 -2.5344 -2.5344 -2.4103 -2.4103 -2.2370 -2.2370 -1.9346 -1.9346 -1.8549 -1.8549 -1.6996 -1.6996 -1.6581 -1.6581 4.5320 4.5320 4.6490 4.6490 4.7245 4.7245 4.8069 4.8069 5.1290 5.1290 5.2965 5.2965 5.5832 5.5832 5.8062 5.8062 5.8686 5.8686 5.9474 5.9474 6.0207 6.0207 6.0511 6.0511 7.9551 7.9551 8.1195 8.1195 8.3422 8.3422 8.5734 8.5734 8.7906 8.7906 9.8273 9.8273 k = 0.3772 0.5014-0.0000 ( 21576 PWs) bands (ev): -15.0461 -15.0461 -15.0252 -15.0252 -14.4714 -14.4714 -14.4691 -14.4691 -3.9652 -3.9652 -3.8635 -3.8635 -3.5616 -3.5616 -3.4749 -3.4749 -2.6812 -2.6812 -2.5297 -2.5297 -2.4158 -2.4158 -2.2400 -2.2400 -1.9235 -1.9235 -1.8492 -1.8492 -1.6994 -1.6994 -1.6674 -1.6674 4.5296 4.5296 4.6474 4.6474 4.7240 4.7240 4.8082 4.8082 5.1469 5.1469 5.2930 5.2930 5.5721 5.5721 5.8043 5.8043 5.8717 5.8717 5.9474 5.9474 6.0266 6.0266 6.0526 6.0526 7.9935 7.9935 8.1686 8.1686 8.3204 8.3204 8.5419 8.5419 8.7537 8.7537 9.7817 9.7817 k = 0.3684 0.5166-0.0000 ( 21578 PWs) bands (ev): -15.0458 -15.0458 -15.0251 -15.0251 -14.4713 -14.4713 -14.4694 -14.4694 -3.9651 -3.9651 -3.8636 -3.8636 -3.5572 -3.5572 -3.4834 -3.4834 -2.6829 -2.6829 -2.5253 -2.5253 -2.4206 -2.4206 -2.2426 -2.2426 -1.9130 -1.9130 -1.8455 -1.8455 -1.6992 -1.6992 -1.6754 -1.6754 4.5275 4.5275 4.6460 4.6460 4.7237 4.7237 4.8093 4.8093 5.1639 5.1639 5.2892 5.2892 5.5622 5.5622 5.8027 5.8027 5.8742 5.8742 5.9476 5.9476 6.0318 6.0318 6.0536 6.0536 8.0293 8.0293 8.2045 8.2045 8.3156 8.3156 8.5160 8.5160 8.7117 8.7117 9.7419 9.7419 k = 0.3596 0.5318-0.0000 ( 21577 PWs) bands (ev): -15.0455 -15.0455 -15.0251 -15.0251 -14.4711 -14.4711 -14.4697 -14.4697 -3.9650 -3.9650 -3.8636 -3.8636 -3.5529 -3.5529 -3.4910 -3.4910 -2.6844 -2.6844 -2.5215 -2.5215 -2.4245 -2.4245 -2.2445 -2.2445 -1.9034 -1.9034 -1.8439 -1.8439 -1.6991 -1.6991 -1.6817 -1.6817 4.5258 4.5258 4.6447 4.6447 4.7233 4.7233 4.8102 4.8102 5.1794 5.1794 5.2851 5.2851 5.5540 5.5540 5.8014 5.8014 5.8762 5.8762 5.9477 5.9477 6.0362 6.0362 6.0543 6.0543 8.0610 8.0610 8.2134 8.2134 8.3416 8.3416 8.4958 8.4958 8.6656 8.6656 9.7097 9.7097 k = 0.3509 0.5470-0.0000 ( 21585 PWs) bands (ev): -15.0453 -15.0453 -15.0251 -15.0251 -14.4711 -14.4711 -14.4699 -14.4699 -3.9650 -3.9650 -3.8636 -3.8636 -3.5490 -3.5490 -3.4974 -3.4974 -2.6856 -2.6856 -2.5186 -2.5186 -2.4275 -2.4275 -2.2459 -2.2459 -1.8951 -1.8951 -1.8443 -1.8443 -1.6992 -1.6992 -1.6859 -1.6859 4.5244 4.5244 4.6438 4.6438 4.7231 4.7231 4.8109 4.8109 5.1923 5.1923 5.2811 5.2811 5.5477 5.5477 5.8005 5.8005 5.8775 5.8775 5.9479 5.9479 6.0395 6.0395 6.0546 6.0546 8.0865 8.0865 8.2062 8.2062 8.3873 8.3873 8.4815 8.4815 8.6169 8.6169 9.6859 9.6859 k = 0.3421 0.5622-0.0000 ( 21567 PWs) bands (ev): -15.0452 -15.0452 -15.0251 -15.0251 -14.4710 -14.4710 -14.4700 -14.4700 -3.9650 -3.9650 -3.8636 -3.8636 -3.5462 -3.5462 -3.5018 -3.5018 -2.6863 -2.6863 -2.5168 -2.5168 -2.4292 -2.4292 -2.2467 -2.2467 -1.8890 -1.8890 -1.8459 -1.8459 -1.6994 -1.6994 -1.6881 -1.6881 4.5236 4.5236 4.6432 4.6432 4.7230 4.7230 4.8113 4.8113 5.2011 5.2011 5.2780 5.2780 5.5438 5.5438 5.8000 5.8000 5.8783 5.8783 5.9480 5.9480 6.0416 6.0416 6.0547 6.0547 8.1032 8.1032 8.1980 8.1980 8.4349 8.4349 8.4748 8.4748 8.5686 8.5686 9.6714 9.6714 k = 0.3333 0.5774-0.0000 ( 21561 PWs) bands (ev): -15.0452 -15.0452 -15.0251 -15.0251 -14.4710 -14.4710 -14.4701 -14.4701 -3.9650 -3.9650 -3.8636 -3.8636 -3.5452 -3.5452 -3.5034 -3.5034 -2.6865 -2.6865 -2.5162 -2.5162 -2.4298 -2.4298 -2.2469 -2.2469 -1.8867 -1.8867 -1.8469 -1.8469 -1.6995 -1.6995 -1.6887 -1.6887 4.5233 4.5233 4.6430 4.6430 4.7229 4.7229 4.8115 4.8115 5.2043 5.2043 5.2768 5.2768 5.5425 5.5425 5.7998 5.7998 5.8785 5.8785 5.9481 5.9481 6.0422 6.0422 6.0547 6.0547 8.1087 8.1087 8.1951 8.1951 8.4549 8.4549 8.4837 8.4837 8.5376 8.5376 9.6666 9.6666 k = 0.3333 0.5774-0.0000 ( 21561 PWs) bands (ev): -15.0452 -15.0452 -15.0251 -15.0251 -14.4710 -14.4710 -14.4701 -14.4701 -3.9650 -3.9650 -3.8636 -3.8636 -3.5452 -3.5452 -3.5034 -3.5034 -2.6865 -2.6865 -2.5162 -2.5162 -2.4298 -2.4298 -2.2469 -2.2469 -1.8867 -1.8867 -1.8469 -1.8469 -1.6995 -1.6995 -1.6887 -1.6887 4.5233 4.5233 4.6430 4.6430 4.7229 4.7229 4.8115 4.8115 5.2043 5.2043 5.2768 5.2768 5.5425 5.5425 5.7998 5.7998 5.8785 5.8785 5.9481 5.9481 6.0422 6.0422 6.0547 6.0547 8.1087 8.1087 8.1951 8.1951 8.4549 8.4549 8.4837 8.4837 8.5376 8.5376 9.6666 9.6666 k = 0.3243 0.5617-0.0000 ( 21581 PWs) bands (ev): -15.0452 -15.0452 -15.0251 -15.0251 -14.4710 -14.4710 -14.4700 -14.4700 -3.9650 -3.9650 -3.8636 -3.8636 -3.5462 -3.5462 -3.5017 -3.5017 -2.6863 -2.6863 -2.5168 -2.5168 -2.4293 -2.4293 -2.2467 -2.2467 -1.8894 -1.8894 -1.8455 -1.8455 -1.6994 -1.6994 -1.6882 -1.6882 4.5237 4.5237 4.6432 4.6432 4.7230 4.7230 4.8113 4.8113 5.2010 5.2010 5.2779 5.2779 5.5439 5.5439 5.8000 5.8000 5.8783 5.8783 5.9480 5.9480 6.0416 6.0416 6.0546 6.0546 8.1041 8.1041 8.1970 8.1970 8.4386 8.4386 8.4687 8.4687 8.5709 8.5709 9.6715 9.6715 k = 0.3153 0.5461-0.0000 ( 21577 PWs) bands (ev): -15.0454 -15.0454 -15.0251 -15.0251 -14.4710 -14.4710 -14.4700 -14.4700 -3.9649 -3.9649 -3.8637 -3.8637 -3.5489 -3.5489 -3.4972 -3.4972 -2.6854 -2.6854 -2.5185 -2.5185 -2.4277 -2.4277 -2.2460 -2.2460 -1.8967 -1.8967 -1.8416 -1.8416 -1.6993 -1.6993 -1.6869 -1.6869 4.5246 4.5246 4.6439 4.6439 4.7231 4.7231 4.8108 4.8108 5.1919 5.1919 5.2802 5.2802 5.5481 5.5481 5.8006 5.8006 5.8777 5.8777 5.9477 5.9477 6.0399 6.0399 6.0541 6.0541 8.0932 8.0932 8.1994 8.1994 8.3951 8.3951 8.4670 8.4670 8.6224 8.6224 9.6853 9.6853 k = 0.3063 0.5305-0.0000 ( 21571 PWs) bands (ev): -15.0456 -15.0456 -15.0251 -15.0251 -14.4709 -14.4709 -14.4699 -14.4699 -3.9647 -3.9647 -3.8639 -3.8639 -3.5522 -3.5522 -3.4907 -3.4907 -2.6840 -2.6840 -2.5211 -2.5211 -2.4255 -2.4255 -2.2451 -2.2451 -1.9067 -1.9067 -1.8366 -1.8366 -1.6994 -1.6994 -1.6851 -1.6851 4.5262 4.5262 4.6450 4.6450 4.7235 4.7235 4.8099 4.8099 5.1787 5.1787 5.2819 5.2819 5.5549 5.5549 5.8015 5.8015 5.8769 5.8769 5.9471 5.9471 6.0374 6.0374 6.0529 6.0529 8.0785 8.0785 8.1988 8.1988 8.3505 8.3505 8.4714 8.4714 8.6740 8.6740 9.7055 9.7055 k = 0.2973 0.5149-0.0000 ( 21551 PWs) bands (ev): -15.0460 -15.0460 -15.0252 -15.0252 -14.4707 -14.4707 -14.4698 -14.4698 -3.9644 -3.9644 -3.8642 -3.8642 -3.5556 -3.5556 -3.4827 -3.4827 -2.6819 -2.6819 -2.5243 -2.5243 -2.4229 -2.4229 -2.2440 -2.2440 -1.9180 -1.9180 -1.8313 -1.8313 -1.6997 -1.6997 -1.6830 -1.6830 4.5284 4.5284 4.6466 4.6466 4.7239 4.7239 4.8087 4.8087 5.1629 5.1629 5.2816 5.2816 5.5640 5.5640 5.8027 5.8027 5.8761 5.8761 5.9462 5.9462 6.0343 6.0343 6.0509 6.0509 8.0606 8.0606 8.1935 8.1935 8.3114 8.3114 8.4796 8.4796 8.7230 8.7230 9.7270 9.7270 k = 0.2883 0.4993-0.0000 ( 21539 PWs) bands (ev): -15.0465 -15.0465 -15.0252 -15.0252 -14.4705 -14.4705 -14.4696 -14.4696 -3.9639 -3.9639 -3.8646 -3.8646 -3.5586 -3.5586 -3.4737 -3.4737 -2.6793 -2.6793 -2.5279 -2.5279 -2.4201 -2.4201 -2.2429 -2.2429 -1.9295 -1.9295 -1.8262 -1.8262 -1.7003 -1.7003 -1.6810 -1.6810 4.5311 4.5311 4.6485 4.6485 4.7244 4.7244 4.8071 4.8071 5.1454 5.1454 5.2785 5.2785 5.5752 5.5752 5.8042 5.8042 5.8752 5.8752 5.9450 5.9450 6.0306 6.0306 6.0483 6.0483 8.0389 8.0389 8.1839 8.1839 8.2793 8.2793 8.4916 8.4916 8.7681 8.7681 9.7348 9.7348 k = 0.2793 0.4837-0.0000 ( 21545 PWs) bands (ev): -15.0472 -15.0472 -15.0253 -15.0253 -14.4704 -14.4704 -14.4693 -14.4693 -3.9632 -3.9632 -3.8653 -3.8653 -3.5609 -3.5609 -3.4639 -3.4639 -2.6761 -2.6761 -2.5317 -2.5317 -2.4173 -2.4173 -2.2422 -2.2422 -1.9407 -1.9407 -1.8215 -1.8215 -1.7013 -1.7013 -1.6791 -1.6791 4.5344 4.5344 4.6508 4.6508 4.7249 4.7249 4.8052 4.8052 5.1271 5.1271 5.2718 5.2718 5.5883 5.5883 5.8060 5.8060 5.8745 5.8745 5.9435 5.9435 6.0261 6.0261 6.0451 6.0451 8.0130 8.0130 8.1721 8.1721 8.2538 8.2538 8.5076 8.5076 8.8084 8.8084 9.7012 9.7012 k = 0.2703 0.4681-0.0000 ( 21557 PWs) bands (ev): -15.0480 -15.0480 -15.0254 -15.0254 -14.4704 -14.4704 -14.4688 -14.4688 -3.9622 -3.9622 -3.8661 -3.8661 -3.5626 -3.5626 -3.4534 -3.4534 -2.6724 -2.6724 -2.5355 -2.5355 -2.4148 -2.4148 -2.2420 -2.2420 -1.9508 -1.9508 -1.8173 -1.8173 -1.7026 -1.7026 -1.6775 -1.6775 4.5382 4.5382 4.6534 4.6534 4.7253 4.7253 4.8031 4.8031 5.1086 5.1086 5.2611 5.2611 5.6031 5.6031 5.8079 5.8079 5.8740 5.8740 5.9419 5.9419 6.0205 6.0205 6.0417 6.0417 7.9840 7.9840 8.1592 8.1592 8.2344 8.2344 8.5272 8.5272 8.8428 8.8428 9.6498 9.6498 k = 0.2613 0.4525-0.0000 ( 21553 PWs) bands (ev): -15.0489 -15.0489 -15.0255 -15.0255 -14.4704 -14.4704 -14.4682 -14.4682 -3.9610 -3.9610 -3.8672 -3.8672 -3.5634 -3.5634 -3.4422 -3.4422 -2.6682 -2.6682 -2.5393 -2.5393 -2.4127 -2.4127 -2.2426 -2.2426 -1.9594 -1.9594 -1.8137 -1.8137 -1.7044 -1.7044 -1.6763 -1.6763 4.5423 4.5423 4.6563 4.6563 4.7256 4.7256 4.8008 4.8008 5.0904 5.0904 5.2461 5.2461 5.6193 5.6193 5.8100 5.8100 5.8738 5.8738 5.9404 5.9404 6.0137 6.0137 6.0384 6.0384 7.9539 7.9539 8.1432 8.1432 8.2225 8.2225 8.5497 8.5497 8.8704 8.8704 9.5960 9.5960 k = 0.2523 0.4369-0.0000 ( 21537 PWs) bands (ev): -15.0499 -15.0499 -15.0256 -15.0256 -14.4704 -14.4704 -14.4674 -14.4674 -3.9594 -3.9594 -3.8684 -3.8684 -3.5633 -3.5633 -3.4304 -3.4304 -2.6636 -2.6636 -2.5428 -2.5428 -2.4110 -2.4110 -2.2443 -2.2443 -1.9662 -1.9662 -1.8108 -1.8108 -1.7067 -1.7067 -1.6755 -1.6755 4.5466 4.5466 4.6594 4.6594 4.7256 4.7256 4.7983 4.7983 5.0731 5.0731 5.2265 5.2265 5.6369 5.6369 5.8120 5.8120 5.8741 5.8741 5.9390 5.9390 6.0054 6.0054 6.0356 6.0356 7.9247 7.9247 8.1219 8.1219 8.2201 8.2201 8.5740 8.5740 8.8906 8.8906 9.5425 9.5425 k = 0.2432 0.4213-0.0000 ( 21551 PWs) bands (ev): -15.0510 -15.0510 -15.0257 -15.0257 -14.4705 -14.4705 -14.4665 -14.4665 -3.9576 -3.9576 -3.8700 -3.8700 -3.5623 -3.5623 -3.4181 -3.4181 -2.6586 -2.6586 -2.5460 -2.5460 -2.4098 -2.4098 -2.2474 -2.2474 -1.9706 -1.9706 -1.8087 -1.8087 -1.7094 -1.7094 -1.6749 -1.6749 4.5510 4.5510 4.6626 4.6626 4.7252 4.7252 4.7959 4.7959 5.0570 5.0570 5.2022 5.2022 5.6557 5.6557 5.8140 5.8140 5.8749 5.8749 5.9379 5.9379 5.9956 5.9956 6.0332 6.0332 7.8983 7.8983 8.0956 8.0956 8.2264 8.2264 8.5988 8.5988 8.9025 8.9025 9.4904 9.4904 k = 0.2342 0.4057-0.0000 ( 21545 PWs) bands (ev): -15.0523 -15.0523 -15.0259 -15.0259 -14.4707 -14.4707 -14.4655 -14.4655 -3.9553 -3.9553 -3.8717 -3.8717 -3.5604 -3.5604 -3.4053 -3.4053 -2.6532 -2.6532 -2.5489 -2.5489 -2.4092 -2.4092 -2.2519 -2.2519 -1.9727 -1.9727 -1.8073 -1.8073 -1.7127 -1.7127 -1.6747 -1.6747 4.5554 4.5554 4.6660 4.6660 4.7242 4.7242 4.7936 4.7936 5.0424 5.0424 5.1735 5.1735 5.6756 5.6756 5.8157 5.8157 5.8762 5.8762 5.9375 5.9375 5.9846 5.9846 6.0313 6.0313 7.8757 7.8757 8.0661 8.0661 8.2396 8.2396 8.6228 8.6228 8.9058 8.9058 9.4404 9.4404 k = 0.2252 0.3901-0.0000 ( 21553 PWs) bands (ev): -15.0537 -15.0537 -15.0260 -15.0260 -14.4709 -14.4709 -14.4644 -14.4644 -3.9527 -3.9527 -3.8737 -3.8737 -3.5576 -3.5576 -3.3921 -3.3921 -2.6475 -2.6475 -2.5513 -2.5513 -2.4093 -2.4093 -2.2580 -2.2580 -1.9721 -1.9721 -1.8068 -1.8068 -1.7166 -1.7166 -1.6745 -1.6745 4.5595 4.5595 4.6695 4.6695 4.7224 4.7224 4.7915 4.7915 5.0294 5.0294 5.1406 5.1406 5.6964 5.6964 5.8170 5.8170 5.8783 5.8783 5.9377 5.9377 5.9726 5.9726 6.0298 6.0298 7.8576 7.8576 8.0348 8.0348 8.2583 8.2583 8.6444 8.6444 8.9006 8.9006 9.3930 9.3930 k = 0.2162 0.3745-0.0000 ( 21553 PWs) bands (ev): -15.0552 -15.0552 -15.0262 -15.0262 -14.4711 -14.4711 -14.4631 -14.4631 -3.9498 -3.9498 -3.8759 -3.8759 -3.5539 -3.5539 -3.3786 -3.3786 -2.6417 -2.6417 -2.5532 -2.5532 -2.4099 -2.4099 -2.2656 -2.2656 -1.9691 -1.9691 -1.8071 -1.8071 -1.7211 -1.7211 -1.6744 -1.6744 4.5633 4.5633 4.6731 4.6731 4.7197 4.7197 4.7899 4.7899 5.0174 5.0174 5.1046 5.1046 5.7180 5.7180 5.8176 5.8176 5.8812 5.8812 5.9384 5.9384 5.9602 5.9602 6.0287 6.0287 7.8443 7.8443 8.0028 8.0028 8.2817 8.2817 8.6613 8.6613 8.8876 8.8876 9.3485 9.3485 k = 0.2072 0.3589-0.0000 ( 21531 PWs) bands (ev): -15.0568 -15.0568 -15.0264 -15.0264 -14.4713 -14.4713 -14.4618 -14.4618 -3.9466 -3.9466 -3.8783 -3.8783 -3.5493 -3.5493 -3.3648 -3.3648 -2.6357 -2.6357 -2.5545 -2.5545 -2.4112 -2.4112 -2.2745 -2.2745 -1.9639 -1.9639 -1.8085 -1.8085 -1.7261 -1.7261 -1.6742 -1.6742 4.5666 4.5666 4.6767 4.6767 4.7158 4.7158 4.7887 4.7887 5.0045 5.0045 5.0680 5.0680 5.7402 5.7402 5.8176 5.8176 5.8850 5.8850 5.9376 5.9376 5.9497 5.9497 6.0279 6.0279 7.8358 7.8358 7.9712 7.9712 8.3091 8.3091 8.6711 8.6711 8.8684 8.8684 9.3069 9.3069 k = 0.1982 0.3433-0.0000 ( 21537 PWs) bands (ev): -15.0585 -15.0585 -15.0266 -15.0266 -14.4715 -14.4715 -14.4604 -14.4604 -3.9431 -3.9431 -3.8808 -3.8808 -3.5438 -3.5438 -3.3508 -3.3508 -2.6296 -2.6296 -2.5552 -2.5552 -2.4130 -2.4130 -2.2845 -2.2845 -1.9566 -1.9566 -1.8108 -1.8108 -1.7317 -1.7317 -1.6739 -1.6739 4.5695 4.5695 4.6803 4.6803 4.7107 4.7107 4.7880 4.7880 4.9845 4.9845 5.0379 5.0379 5.7626 5.7626 5.8168 5.8168 5.8897 5.8897 5.9289 5.9289 5.9480 5.9480 6.0276 6.0276 7.8312 7.8312 7.9412 7.9412 8.3401 8.3401 8.6704 8.6704 8.8453 8.8453 9.2682 9.2682 k = 0.1892 0.3277-0.0000 ( 21521 PWs) bands (ev): -15.0602 -15.0602 -15.0268 -15.0268 -14.4718 -14.4718 -14.4590 -14.4590 -3.9393 -3.9393 -3.8835 -3.8835 -3.5375 -3.5375 -3.3367 -3.3367 -2.6236 -2.6236 -2.5552 -2.5552 -2.4152 -2.4152 -2.2953 -2.2953 -1.9478 -1.9478 -1.8142 -1.8142 -1.7378 -1.7378 -1.6733 -1.6733 4.5721 4.5721 4.6834 4.6834 4.7039 4.7039 4.7878 4.7878 4.9509 4.9509 5.0218 5.0218 5.7846 5.7846 5.8158 5.8158 5.8942 5.8942 5.9176 5.9176 5.9513 5.9513 6.0275 6.0275 7.8288 7.8288 7.9150 7.9150 8.3743 8.3743 8.6566 8.6566 8.8204 8.8204 9.2319 9.2319 k = 0.1802 0.3121-0.0000 ( 21521 PWs) bands (ev): -15.0620 -15.0620 -15.0270 -15.0270 -14.4721 -14.4721 -14.4574 -14.4574 -3.9353 -3.9353 -3.8862 -3.8862 -3.5304 -3.5304 -3.3226 -3.3226 -2.6178 -2.6178 -2.5545 -2.5545 -2.4180 -2.4180 -2.3066 -2.3066 -1.9379 -1.9379 -1.8186 -1.8186 -1.7441 -1.7441 -1.6725 -1.6725 4.5744 4.5744 4.6855 4.6855 4.6947 4.6947 4.7878 4.7878 4.9105 4.9105 5.0149 5.0149 5.8016 5.8016 5.8185 5.8185 5.8930 5.8930 5.9130 5.9130 5.9561 5.9561 6.0278 6.0278 7.8237 7.8237 7.8973 7.8973 8.4111 8.4111 8.6290 8.6290 8.7942 8.7942 9.1977 9.1977 k = 0.1712 0.2965-0.0000 ( 21537 PWs) bands (ev): -15.0639 -15.0639 -15.0272 -15.0272 -14.4724 -14.4724 -14.4559 -14.4559 -3.9313 -3.9313 -3.8888 -3.8888 -3.5226 -3.5226 -3.3086 -3.3086 -2.6121 -2.6121 -2.5532 -2.5532 -2.4211 -2.4211 -2.3181 -2.3181 -1.9274 -1.9274 -1.8240 -1.8240 -1.7504 -1.7504 -1.6713 -1.6713 4.5768 4.5768 4.6804 4.6804 4.6865 4.6865 4.7880 4.7880 4.8717 4.8717 5.0119 5.0119 5.8030 5.8030 5.8348 5.8348 5.8839 5.8839 5.9186 5.9186 5.9618 5.9618 6.0284 6.0284 7.8101 7.8101 7.8940 7.8940 8.4503 8.4503 8.5900 8.5900 8.7642 8.7642 9.1652 9.1652 k = 0.1622 0.2809-0.0000 ( 21519 PWs) bands (ev): -15.0658 -15.0658 -15.0274 -15.0274 -14.4727 -14.4727 -14.4543 -14.4543 -3.9273 -3.9273 -3.8912 -3.8912 -3.5141 -3.5141 -3.2947 -3.2947 -2.6068 -2.6068 -2.5513 -2.5513 -2.4246 -2.4246 -2.3295 -2.3295 -1.9170 -1.9170 -1.8304 -1.8304 -1.7563 -1.7563 -1.6699 -1.6699 4.5795 4.5795 4.6591 4.6591 4.6843 4.6843 4.7881 4.7881 4.8414 4.8414 5.0107 5.0107 5.7981 5.7981 5.8516 5.8516 5.8775 5.8775 5.9279 5.9279 5.9681 5.9681 6.0294 6.0294 7.7890 7.7890 7.9040 7.9040 8.4913 8.4913 8.5432 8.5432 8.7280 8.7280 9.1342 9.1342 k = 0.1532 0.2653-0.0000 ( 21515 PWs) bands (ev): -15.0676 -15.0676 -15.0276 -15.0276 -14.4731 -14.4731 -14.4526 -14.4526 -3.9237 -3.9237 -3.8932 -3.8932 -3.5050 -3.5050 -3.2810 -3.2810 -2.6018 -2.6018 -2.5487 -2.5487 -2.4285 -2.4285 -2.3403 -2.3403 -1.9074 -1.9074 -1.8377 -1.8377 -1.7612 -1.7612 -1.6682 -1.6682 4.5826 4.5826 4.6266 4.6266 4.6800 4.6800 4.7883 4.7883 4.8235 4.8235 5.0104 5.0104 5.7909 5.7909 5.8524 5.8524 5.8882 5.8882 5.9387 5.9387 5.9750 5.9750 6.0307 6.0307 7.7651 7.7651 7.9221 7.9221 8.4912 8.4912 8.5342 8.5342 8.6843 8.6843 9.1048 9.1048 k = 0.1441 0.2497-0.0000 ( 21527 PWs) bands (ev): -15.0695 -15.0695 -15.0278 -15.0278 -14.4734 -14.4734 -14.4510 -14.4510 -3.9208 -3.9208 -3.8943 -3.8943 -3.4953 -3.4953 -3.2677 -3.2677 -2.5971 -2.5971 -2.5458 -2.5458 -2.4328 -2.4328 -2.3502 -2.3502 -1.8998 -1.8998 -1.8457 -1.8457 -1.7643 -1.7643 -1.6662 -1.6662 4.5804 4.5804 4.5900 4.5900 4.6741 4.6741 4.7897 4.7897 4.8163 4.8163 5.0105 5.0105 5.7817 5.7817 5.8451 5.8451 5.9083 5.9083 5.9503 5.9503 5.9823 5.9823 6.0324 6.0324 7.7410 7.7410 7.9454 7.9454 8.4376 8.4376 8.5768 8.5768 8.6340 8.6340 9.0768 9.0768 k = 0.1351 0.2341-0.0000 ( 21537 PWs) bands (ev): -15.0714 -15.0714 -15.0281 -15.0281 -14.4738 -14.4738 -14.4494 -14.4494 -3.9192 -3.9192 -3.8941 -3.8941 -3.4853 -3.4853 -3.2548 -3.2548 -2.5928 -2.5928 -2.5426 -2.5426 -2.4376 -2.4376 -2.3588 -2.3588 -1.8952 -1.8952 -1.8542 -1.8542 -1.7650 -1.7650 -1.6640 -1.6640 4.5333 4.5333 4.5927 4.5927 4.6672 4.6672 4.7928 4.7928 4.8157 4.8157 5.0105 5.0105 5.7708 5.7708 5.8378 5.8378 5.9295 5.9295 5.9624 5.9624 5.9901 5.9901 6.0344 6.0344 7.7178 7.7178 7.9719 7.9719 8.3838 8.3838 8.5750 8.5750 8.6232 8.6232 9.0505 9.0505 k = 0.1261 0.2185-0.0000 ( 21551 PWs) bands (ev): -15.0733 -15.0733 -15.0283 -15.0283 -14.4741 -14.4741 -14.4478 -14.4478 -3.9190 -3.9190 -3.8923 -3.8923 -3.4749 -3.4749 -3.2424 -3.2424 -2.5888 -2.5888 -2.5394 -2.5394 -2.4431 -2.4431 -2.3655 -2.3655 -1.8947 -1.8947 -1.8627 -1.8627 -1.7625 -1.7625 -1.6616 -1.6616 4.4807 4.4807 4.5989 4.5989 4.6598 4.6598 4.7970 4.7970 4.8190 4.8190 5.0103 5.0103 5.7587 5.7587 5.8315 5.8315 5.9499 5.9499 5.9746 5.9746 5.9985 5.9985 6.0369 6.0369 7.6957 7.6957 7.9998 7.9998 8.3321 8.3321 8.5158 8.5158 8.6660 8.6660 9.0260 9.0260 k = 0.1171 0.2029-0.0000 ( 21571 PWs) bands (ev): -15.0751 -15.0751 -15.0285 -15.0285 -14.4744 -14.4744 -14.4463 -14.4463 -3.9200 -3.9200 -3.8893 -3.8893 -3.4643 -3.4643 -3.2305 -3.2305 -2.5853 -2.5853 -2.5363 -2.5363 -2.4494 -2.4494 -2.3700 -2.3700 -1.8986 -1.8986 -1.8710 -1.8710 -1.7569 -1.7569 -1.6591 -1.6591 4.4270 4.4270 4.6063 4.6063 4.6524 4.6524 4.8011 4.8011 4.8253 4.8253 5.0096 5.0096 5.7458 5.7458 5.8262 5.8262 5.9686 5.9686 5.9866 5.9866 6.0078 6.0078 6.0401 6.0401 7.6752 7.6752 8.0261 8.0261 8.2855 8.2855 8.4543 8.4543 8.7086 8.7086 9.0035 9.0035 k = 0.1081 0.1872-0.0000 ( 21557 PWs) bands (ev): -15.0768 -15.0768 -15.0287 -15.0287 -14.4748 -14.4748 -14.4448 -14.4448 -3.9218 -3.9218 -3.8856 -3.8856 -3.4537 -3.4537 -3.2193 -3.2193 -2.5821 -2.5821 -2.5335 -2.5335 -2.4564 -2.4564 -2.3722 -2.3722 -1.9061 -1.9061 -1.8791 -1.8791 -1.7487 -1.7487 -1.6564 -1.6564 4.3737 4.3737 4.6149 4.6149 4.6449 4.6449 4.8046 4.8046 4.8338 4.8338 5.0083 5.0083 5.7328 5.7328 5.8215 5.8215 5.9842 5.9842 5.9985 5.9985 6.0185 6.0185 6.0444 6.0444 7.6563 7.6563 8.0452 8.0452 8.2487 8.2487 8.3937 8.3937 8.7498 8.7498 8.9831 8.9831 k = 0.0991 0.1716-0.0000 ( 21545 PWs) bands (ev): -15.0784 -15.0784 -15.0289 -15.0289 -14.4751 -14.4751 -14.4433 -14.4433 -3.9239 -3.9239 -3.8815 -3.8815 -3.4431 -3.4431 -3.2088 -3.2088 -2.5794 -2.5794 -2.5310 -2.5310 -2.4637 -2.4637 -2.3721 -2.3721 -1.9162 -1.9162 -1.8874 -1.8874 -1.7388 -1.7388 -1.6536 -1.6536 4.3221 4.3221 4.6247 4.6247 4.6377 4.6377 4.8077 4.8077 4.8437 4.8437 5.0063 5.0063 5.7198 5.7198 5.8173 5.8173 5.9959 5.9959 6.0096 6.0096 6.0301 6.0301 6.0511 6.0511 7.6391 7.6391 8.0486 8.0486 8.2277 8.2277 8.3380 8.3380 8.7886 8.7886 8.9652 8.9652 k = 0.0901 0.1560-0.0000 ( 21545 PWs) bands (ev): -15.0800 -15.0800 -15.0291 -15.0291 -14.4754 -14.4754 -14.4420 -14.4420 -3.9262 -3.9262 -3.8772 -3.8772 -3.4327 -3.4327 -3.1990 -3.1990 -2.5773 -2.5773 -2.5288 -2.5288 -2.4710 -2.4710 -2.3699 -2.3699 -1.9277 -1.9277 -1.8961 -1.8961 -1.7280 -1.7280 -1.6508 -1.6508 4.2729 4.2729 4.6305 4.6305 4.6356 4.6356 4.8105 4.8105 4.8544 4.8544 5.0037 5.0037 5.7073 5.7073 5.8134 5.8134 6.0048 6.0048 6.0190 6.0190 6.0395 6.0395 6.0626 6.0626 7.6235 7.6235 8.0324 8.0324 8.2151 8.2151 8.2996 8.2996 8.8238 8.8238 8.9504 8.9504 k = 0.0811 0.1404-0.0000 ( 21549 PWs) bands (ev): -15.0815 -15.0815 -15.0293 -15.0293 -14.4757 -14.4757 -14.4407 -14.4407 -3.9285 -3.9285 -3.8731 -3.8731 -3.4226 -3.4226 -3.1901 -3.1901 -2.5759 -2.5759 -2.5270 -2.5270 -2.4780 -2.4780 -2.3662 -2.3662 -1.9399 -1.9399 -1.9049 -1.9049 -1.7169 -1.7169 -1.6479 -1.6479 4.2266 4.2266 4.6241 4.6241 4.6468 4.6468 4.8130 4.8130 4.8654 4.8654 5.0004 5.0004 5.6954 5.6954 5.8097 5.8097 6.0119 6.0119 6.0265 6.0265 6.0458 6.0458 6.0784 6.0784 7.6094 7.6094 8.0035 8.0035 8.1835 8.1835 8.2992 8.2992 8.8534 8.8534 8.9402 8.9402 k = 0.0721 0.1248-0.0000 ( 21575 PWs) bands (ev): -15.0828 -15.0828 -15.0294 -15.0294 -14.4759 -14.4759 -14.4395 -14.4395 -3.9307 -3.9307 -3.8691 -3.8691 -3.4131 -3.4131 -3.1820 -3.1820 -2.5752 -2.5752 -2.5256 -2.5256 -2.4842 -2.4842 -2.3611 -2.3611 -1.9524 -1.9524 -1.9138 -1.9138 -1.7062 -1.7062 -1.6449 -1.6449 4.1839 4.1839 4.6180 4.6180 4.6586 4.6586 4.8154 4.8154 4.8763 4.8763 4.9965 4.9965 5.6844 5.6844 5.8062 5.8062 6.0179 6.0179 6.0325 6.0325 6.0504 6.0504 6.0958 6.0958 7.5969 7.5969 7.9704 7.9704 8.1385 8.1385 8.3233 8.3233 8.8732 8.8732 8.9382 8.9382 k = 0.0631 0.1092-0.0000 ( 21581 PWs) bands (ev): -15.0840 -15.0840 -15.0296 -15.0296 -14.4762 -14.4762 -14.4385 -14.4385 -3.9327 -3.9327 -3.8655 -3.8655 -3.4042 -3.4042 -3.1748 -3.1748 -2.5752 -2.5752 -2.5247 -2.5247 -2.4891 -2.4891 -2.3552 -2.3552 -1.9646 -1.9646 -1.9223 -1.9223 -1.6963 -1.6963 -1.6419 -1.6419 4.1452 4.1452 4.6124 4.6124 4.6705 4.6705 4.8177 4.8177 4.8867 4.8867 4.9922 4.9922 5.6743 5.6743 5.8030 5.8030 6.0231 6.0231 6.0374 6.0374 6.0541 6.0541 6.1130 6.1130 7.5860 7.5860 7.9376 7.9376 8.0931 8.0931 8.3541 8.3541 8.8795 8.8795 8.9474 8.9474 k = 0.0541 0.0936-0.0000 ( 21583 PWs) bands (ev): -15.0851 -15.0851 -15.0297 -15.0297 -14.4764 -14.4764 -14.4376 -14.4376 -3.9345 -3.9345 -3.8622 -3.8622 -3.3961 -3.3961 -3.1685 -3.1685 -2.5758 -2.5758 -2.5245 -2.5245 -2.4927 -2.4927 -2.3488 -2.3488 -1.9762 -1.9762 -1.9304 -1.9304 -1.6875 -1.6875 -1.6389 -1.6389 4.1109 4.1109 4.6075 4.6075 4.6822 4.6822 4.8198 4.8198 4.8964 4.8964 4.9876 4.9876 5.6654 5.6654 5.7999 5.7999 6.0276 6.0276 6.0413 6.0413 6.0569 6.0569 6.1292 6.1292 7.5764 7.5764 7.9072 7.9072 8.0514 8.0514 8.3853 8.3853 8.8772 8.8772 8.9624 8.9624 k = 0.0450 0.0780-0.0000 ( 21599 PWs) bands (ev): -15.0860 -15.0860 -15.0298 -15.0298 -14.4766 -14.4766 -14.4368 -14.4368 -3.9361 -3.9361 -3.8593 -3.8593 -3.3889 -3.3889 -3.1632 -3.1632 -2.5769 -2.5769 -2.5248 -2.5248 -2.4947 -2.4947 -2.3425 -2.3425 -1.9870 -1.9870 -1.9377 -1.9377 -1.6801 -1.6801 -1.6359 -1.6359 4.0813 4.0813 4.6032 4.6032 4.6931 4.6931 4.8218 4.8218 4.9051 4.9051 4.9830 4.9830 5.6576 5.6576 5.7972 5.7972 6.0316 6.0316 6.0445 6.0445 6.0588 6.0588 6.1438 6.1438 7.5683 7.5683 7.8805 7.8805 8.0147 8.0147 8.4141 8.4141 8.8721 8.8721 8.9765 8.9765 k = 0.0360 0.0624-0.0000 ( 21591 PWs) bands (ev): -15.0867 -15.0867 -15.0299 -15.0299 -14.4767 -14.4767 -14.4361 -14.4361 -3.9374 -3.9374 -3.8569 -3.8569 -3.3829 -3.3829 -3.1588 -3.1588 -2.5783 -2.5783 -2.5256 -2.5256 -2.4955 -2.4955 -2.3365 -2.3365 -1.9965 -1.9965 -1.9439 -1.9439 -1.6741 -1.6741 -1.6330 -1.6330 4.0566 4.0566 4.5996 4.5996 4.7029 4.7029 4.8236 4.8236 4.9124 4.9124 4.9787 4.9787 5.6511 5.6511 5.7947 5.7947 6.0350 6.0350 6.0471 6.0471 6.0600 6.0600 6.1565 6.1565 7.5616 7.5616 7.8580 7.8580 7.9840 7.9840 8.4389 8.4389 8.8669 8.8669 8.9871 8.9872 k = 0.0270 0.0468-0.0000 ( 21591 PWs) bands (ev): -15.0873 -15.0873 -15.0300 -15.0300 -14.4769 -14.4769 -14.4356 -14.4356 -3.9385 -3.9385 -3.8549 -3.8549 -3.3780 -3.3780 -3.1553 -3.1553 -2.5797 -2.5797 -2.5266 -2.5266 -2.4956 -2.4956 -2.3313 -2.3313 -2.0044 -2.0044 -1.9490 -1.9490 -1.6696 -1.6696 -1.6305 -1.6305 4.0373 4.0373 4.5968 4.5968 4.7111 4.7111 4.8252 4.8252 4.9183 4.9183 4.9750 4.9750 5.6460 5.6460 5.7927 5.7927 6.0378 6.0378 6.0490 6.0490 6.0604 6.0604 6.1668 6.1668 7.5563 7.5563 7.8402 7.8402 7.9596 7.9596 8.4587 8.4587 8.8622 8.8622 8.9936 8.9936 k = 0.0180 0.0312-0.0000 ( 21589 PWs) bands (ev): -15.0878 -15.0878 -15.0300 -15.0300 -14.4769 -14.4769 -14.4352 -14.4352 -3.9393 -3.9393 -3.8535 -3.8535 -3.3745 -3.3745 -3.1529 -3.1529 -2.5809 -2.5809 -2.5275 -2.5275 -2.4953 -2.4953 -2.3272 -2.3272 -2.0104 -2.0104 -1.9528 -1.9528 -1.6665 -1.6665 -1.6284 -1.6284 4.0233 4.0233 4.5947 4.5947 4.7173 4.7173 4.8264 4.8264 4.9224 4.9224 4.9722 4.9722 5.6423 5.6423 5.7912 5.7912 6.0401 6.0401 6.0504 6.0504 6.0605 6.0605 6.1743 6.1743 7.5525 7.5525 7.8273 7.8273 7.9420 7.9420 8.4730 8.4730 8.8587 8.8587 8.9966 8.9966 k = 0.0090 0.0156-0.0000 ( 21595 PWs) bands (ev): -15.0880 -15.0880 -15.0301 -15.0301 -14.4770 -14.4770 -14.4350 -14.4350 -3.9397 -3.9397 -3.8527 -3.8527 -3.3723 -3.3723 -3.1514 -3.1514 -2.5816 -2.5816 -2.5281 -2.5281 -2.4950 -2.4950 -2.3247 -2.3247 -2.0141 -2.0141 -1.9551 -1.9551 -1.6647 -1.6647 -1.6271 -1.6271 4.0149 4.0149 4.5935 4.5935 4.7212 4.7212 4.8272 4.8272 4.9249 4.9249 4.9704 4.9704 5.6401 5.6401 5.7903 5.7903 6.0415 6.0415 6.0512 6.0512 6.0604 6.0604 6.1790 6.1790 7.5502 7.5502 7.8195 7.8195 7.9314 7.9314 8.4817 8.4817 8.8564 8.8564 8.9974 8.9974 k = 0.0000 0.0000 0.0000 ( 21603 PWs) bands (ev): -15.0881 -15.0881 -15.0301 -15.0301 -14.4770 -14.4770 -14.4349 -14.4349 -3.9399 -3.9399 -3.8524 -3.8524 -3.3716 -3.3716 -3.1509 -3.1509 -2.5819 -2.5819 -2.5283 -2.5283 -2.4949 -2.4949 -2.3238 -2.3238 -2.0153 -2.0153 -1.9559 -1.9559 -1.6641 -1.6641 -1.6266 -1.6266 4.0120 4.0120 4.5931 4.5931 4.7225 4.7225 4.8275 4.8275 4.9257 4.9257 4.9698 4.9698 5.6394 5.6394 5.7900 5.7900 6.0421 6.0421 6.0514 6.0514 6.0603 6.0603 6.1805 6.1805 7.5495 7.5495 7.8169 7.8169 7.9278 7.9278 8.4845 8.4845 8.8556 8.8556 8.9975 8.9976 k = 0.0000 0.0000 0.0000 ( 21603 PWs) bands (ev): -15.0881 -15.0881 -15.0301 -15.0301 -14.4770 -14.4770 -14.4349 -14.4349 -3.9399 -3.9399 -3.8524 -3.8524 -3.3716 -3.3716 -3.1509 -3.1509 -2.5819 -2.5819 -2.5283 -2.5283 -2.4949 -2.4949 -2.3238 -2.3238 -2.0153 -2.0153 -1.9559 -1.9559 -1.6641 -1.6641 -1.6266 -1.6266 4.0120 4.0120 4.5931 4.5931 4.7225 4.7225 4.8275 4.8275 4.9257 4.9257 4.9698 4.9698 5.6394 5.6394 5.7900 5.7900 6.0421 6.0421 6.0514 6.0514 6.0603 6.0603 6.1805 6.1805 7.5495 7.5495 7.8169 7.8169 7.9278 7.9278 8.4845 8.4845 8.8556 8.8556 8.9975 8.9975 k = 0.0000 0.0000 0.0176 ( 21591 PWs) bands (ev): -15.0880 -15.0880 -15.0302 -15.0302 -14.4769 -14.4769 -14.4350 -14.4350 -3.9397 -3.9397 -3.8527 -3.8527 -3.3711 -3.3711 -3.1513 -3.1513 -2.5815 -2.5815 -2.5283 -2.5283 -2.4952 -2.4952 -2.3248 -2.3248 -2.0144 -2.0144 -1.9549 -1.9549 -1.6645 -1.6645 -1.6275 -1.6275 4.0140 4.0140 4.5935 4.5935 4.7219 4.7219 4.8277 4.8277 4.9255 4.9255 4.9684 4.9684 5.6402 5.6402 5.7905 5.7905 6.0420 6.0420 6.0510 6.0510 6.0596 6.0596 6.1803 6.1803 7.5498 7.5498 7.8185 7.8185 7.9299 7.9299 8.4823 8.4823 8.8530 8.8530 8.9987 8.9987 k = 0.0000 0.0000 0.0353 ( 21579 PWs) bands (ev): -15.0877 -15.0877 -15.0306 -15.0306 -14.4766 -14.4766 -14.4352 -14.4352 -3.9393 -3.9393 -3.8534 -3.8534 -3.3694 -3.3694 -3.1525 -3.1525 -2.5804 -2.5804 -2.5284 -2.5284 -2.4959 -2.4959 -2.3277 -2.3277 -2.0118 -2.0118 -1.9518 -1.9518 -1.6659 -1.6659 -1.6300 -1.6300 4.0199 4.0199 4.5949 4.5949 4.7200 4.7200 4.8284 4.8284 4.9249 4.9249 4.9640 4.9640 5.6427 5.6427 5.7921 5.7921 6.0416 6.0416 6.0500 6.0500 6.0576 6.0576 6.1796 6.1796 7.5507 7.5507 7.8234 7.8234 7.9362 7.9362 8.4755 8.4755 8.8452 8.8452 9.0022 9.0022 k = 0.0000 0.0000 0.0529 ( 21591 PWs) bands (ev): -15.0871 -15.0871 -15.0313 -15.0313 -14.4761 -14.4761 -14.4356 -14.4356 -3.9385 -3.9385 -3.8546 -3.8546 -3.3666 -3.3666 -3.1545 -3.1545 -2.5785 -2.5785 -2.5286 -2.5286 -2.4970 -2.4970 -2.3323 -2.3323 -2.0074 -2.0074 -1.9467 -1.9467 -1.6682 -1.6682 -1.6342 -1.6342 4.0296 4.0296 4.5973 4.5973 4.7169 4.7169 4.8294 4.8294 4.9238 4.9238 4.9568 4.9568 5.6469 5.6469 5.7947 5.7947 6.0393 6.0393 6.0500 6.0500 6.0543 6.0543 6.1785 6.1785 7.5524 7.5524 7.8316 7.8316 7.9467 7.9467 8.4637 8.4637 8.8327 8.8327 9.0081 9.0081 k = 0.0000 0.0000 0.0705 ( 21591 PWs) bands (ev): -15.0863 -15.0863 -15.0322 -15.0322 -14.4754 -14.4754 -14.4362 -14.4362 -3.9375 -3.9375 -3.8563 -3.8563 -3.3629 -3.3629 -3.1573 -3.1573 -2.5759 -2.5759 -2.5288 -2.5288 -2.4986 -2.4986 -2.3386 -2.3386 -2.0013 -2.0013 -1.9400 -1.9400 -1.6713 -1.6713 -1.6400 -1.6400 4.0431 4.0431 4.6005 4.6005 4.7124 4.7124 4.8308 4.8308 4.9224 4.9224 4.9468 4.9468 5.6528 5.6528 5.7983 5.7983 6.0344 6.0344 6.0498 6.0498 6.0515 6.0515 6.1768 6.1768 7.5552 7.5552 7.8431 7.8431 7.9612 7.9612 8.4464 8.4464 8.8159 8.8159 9.0162 9.0162 k = 0.0000 0.0000 0.0881 ( 21573 PWs) bands (ev): -15.0853 -15.0853 -15.0334 -15.0334 -14.4746 -14.4746 -14.4369 -14.4369 -3.9362 -3.9362 -3.8585 -3.8585 -3.3581 -3.3581 -3.1609 -3.1609 -2.5725 -2.5725 -2.5291 -2.5291 -2.5005 -2.5005 -2.3463 -2.3463 -1.9937 -1.9937 -1.9317 -1.9317 -1.6753 -1.6753 -1.6473 -1.6473 4.0602 4.0602 4.6047 4.6047 4.7066 4.7066 4.8327 4.8327 4.9205 4.9205 4.9342 4.9342 5.6602 5.6602 5.8028 5.8028 6.0274 6.0274 6.0440 6.0440 6.0542 6.0542 6.1748 6.1748 7.5594 7.5594 7.8579 7.8579 7.9798 7.9798 8.4231 8.4231 8.7953 8.7953 9.0267 9.0267 k = 0.0000 0.0000 0.1058 ( 21543 PWs) bands (ev): -15.0841 -15.0841 -15.0348 -15.0348 -14.4735 -14.4735 -14.4378 -14.4378 -3.9346 -3.9346 -3.8610 -3.8610 -3.3523 -3.3523 -3.1653 -3.1653 -2.5684 -2.5684 -2.5294 -2.5294 -2.5026 -2.5026 -2.3552 -2.3552 -1.9846 -1.9846 -1.9220 -1.9220 -1.6802 -1.6802 -1.6562 -1.6562 4.0808 4.0808 4.6096 4.6096 4.6992 4.6992 4.8349 4.8349 4.9183 4.9183 4.9191 4.9191 5.6691 5.6691 5.8084 5.8084 6.0186 6.0186 6.0372 6.0372 6.0577 6.0577 6.1722 6.1722 7.5655 7.5655 7.8761 7.8761 8.0023 8.0023 8.3936 8.3936 8.7709 8.7709 9.0397 9.0397 k = 0.0000 0.0000 0.1234 ( 21543 PWs) bands (ev): -15.0826 -15.0826 -15.0364 -15.0364 -14.4723 -14.4723 -14.4388 -14.4388 -3.9327 -3.9327 -3.8638 -3.8638 -3.3458 -3.3458 -3.1704 -3.1704 -2.5635 -2.5635 -2.5297 -2.5297 -2.5050 -2.5050 -2.3651 -2.3651 -1.9741 -1.9741 -1.9113 -1.9113 -1.6860 -1.6860 -1.6664 -1.6664 4.1047 4.1047 4.6155 4.6155 4.6901 4.6901 4.8375 4.8375 4.9019 4.9019 4.9157 4.9157 5.6795 5.6795 5.8148 5.8148 6.0081 6.0081 6.0293 6.0293 6.0619 6.0619 6.1693 6.1693 7.5740 7.5740 7.8978 7.8978 8.0286 8.0286 8.3579 8.3579 8.7425 8.7425 9.0552 9.0552 k = 0.0000 0.0000 0.1410 ( 21555 PWs) bands (ev): -15.0810 -15.0810 -15.0382 -15.0382 -14.4710 -14.4710 -14.4399 -14.4399 -3.9306 -3.9306 -3.8670 -3.8670 -3.3384 -3.3384 -3.1761 -3.1761 -2.5580 -2.5580 -2.5300 -2.5300 -2.5075 -2.5075 -2.3757 -2.3757 -1.9623 -1.9623 -1.8997 -1.8997 -1.6925 -1.6925 -1.6779 -1.6779 4.1315 4.1315 4.6221 4.6221 4.6791 4.6791 4.8404 4.8404 4.8828 4.8828 4.9128 4.9128 5.6913 5.6913 5.8221 5.8221 5.9960 5.9960 6.0204 6.0204 6.0666 6.0666 6.1659 6.1659 7.5852 7.5852 7.9228 7.9228 8.0587 8.0587 8.3167 8.3167 8.7098 8.7098 9.0126 9.0126 k = 0.0000 0.0000 0.1586 ( 21549 PWs) bands (ev): -15.0792 -15.0792 -15.0402 -15.0402 -14.4695 -14.4695 -14.4412 -14.4412 -3.9282 -3.9282 -3.8704 -3.8704 -3.3304 -3.3304 -3.1826 -3.1826 -2.5518 -2.5518 -2.5302 -2.5302 -2.5101 -2.5101 -2.3869 -2.3869 -1.9493 -1.9493 -1.8875 -1.8875 -1.6999 -1.6999 -1.6906 -1.6906 4.1612 4.1612 4.6295 4.6295 4.6660 4.6660 4.8436 4.8436 4.8625 4.8625 4.9096 4.9096 5.7044 5.7044 5.8302 5.8302 5.9825 5.9825 6.0108 6.0108 6.0717 6.0717 6.1622 6.1622 7.5996 7.5996 7.9511 7.9511 8.0923 8.0923 8.2707 8.2707 8.6727 8.6727 8.9557 8.9557 k = 0.0000 0.0000 0.1763 ( 21525 PWs) bands (ev): -15.0773 -15.0773 -15.0424 -15.0424 -14.4679 -14.4679 -14.4426 -14.4426 -3.9256 -3.9256 -3.8740 -3.8740 -3.3218 -3.3218 -3.1897 -3.1897 -2.5449 -2.5449 -2.5303 -2.5303 -2.5126 -2.5126 -2.3985 -2.3985 -1.9354 -1.9354 -1.8747 -1.8747 -1.7080 -1.7080 -1.7044 -1.7044 4.1932 4.1932 4.6376 4.6376 4.6502 4.6502 4.8413 4.8413 4.8470 4.8470 4.9061 4.9061 5.7186 5.7186 5.8391 5.8391 5.9677 5.9677 6.0004 6.0004 6.0772 6.0772 6.1580 6.1580 7.6175 7.6175 7.9826 7.9826 8.1294 8.1294 8.2210 8.2210 8.6313 8.6313 8.8960 8.8960 k = 0.0000 0.0000 0.1939 ( 21543 PWs) bands (ev): -15.0752 -15.0752 -15.0447 -15.0447 -14.4662 -14.4662 -14.4441 -14.4441 -3.9227 -3.9227 -3.8778 -3.8778 -3.3127 -3.3127 -3.1974 -3.1974 -2.5374 -2.5374 -2.5304 -2.5304 -2.5151 -2.5151 -2.4103 -2.4103 -1.9205 -1.9205 -1.8616 -1.8616 -1.7190 -1.7190 -1.7168 -1.7168 4.2274 4.2274 4.6316 4.6316 4.6464 4.6464 4.8201 4.8201 4.8508 4.8508 4.9023 4.9023 5.7340 5.7340 5.8487 5.8487 5.9518 5.9518 5.9894 5.9894 6.0830 6.0830 6.1535 6.1535 7.6393 7.6393 8.0172 8.0172 8.1686 8.1686 8.1697 8.1697 8.5861 8.5861 8.8347 8.8347 k = 0.0000 0.0000 0.2115 ( 21549 PWs) bands (ev): -15.0729 -15.0729 -15.0471 -15.0471 -14.4644 -14.4644 -14.4457 -14.4457 -3.9197 -3.9197 -3.8817 -3.8817 -3.3031 -3.3031 -3.2056 -3.2056 -2.5302 -2.5302 -2.5292 -2.5292 -2.5175 -2.5175 -2.4223 -2.4223 -1.9048 -1.9048 -1.8483 -1.8483 -1.7346 -1.7346 -1.7264 -1.7264 4.2634 4.2634 4.6096 4.6096 4.6559 4.6559 4.7993 4.7993 4.8547 4.8547 4.8984 4.8984 5.7503 5.7503 5.8589 5.8589 5.9348 5.9348 5.9779 5.9779 6.0891 6.0891 6.1487 6.1487 7.6652 7.6652 8.0549 8.0549 8.1148 8.1148 8.2132 8.2132 8.5378 8.5378 8.7728 8.7728 k = 0.0000 0.0000 0.2291 ( 21561 PWs) bands (ev): -15.0705 -15.0705 -15.0496 -15.0496 -14.4626 -14.4626 -14.4474 -14.4474 -3.9164 -3.9164 -3.8857 -3.8857 -3.2933 -3.2933 -3.2143 -3.2143 -2.5299 -2.5299 -2.5205 -2.5205 -2.5198 -2.5198 -2.4342 -2.4342 -1.8886 -1.8886 -1.8350 -1.8350 -1.7507 -1.7507 -1.7365 -1.7365 4.3006 4.3006 4.5843 4.5843 4.6660 4.6660 4.7796 4.7796 4.8589 4.8589 4.8942 4.8942 5.7674 5.7674 5.8697 5.8697 5.9171 5.9171 5.9660 5.9660 6.0953 6.0953 6.1435 6.1435 7.6951 7.6951 8.0604 8.0604 8.0953 8.0953 8.2596 8.2596 8.4874 8.4874 8.7107 8.7107 k = 0.0000 0.0000 0.2468 ( 21549 PWs) bands (ev): -15.0681 -15.0681 -15.0522 -15.0522 -14.4607 -14.4607 -14.4492 -14.4492 -3.9129 -3.9129 -3.8897 -3.8897 -3.2833 -3.2833 -3.2235 -3.2235 -2.5295 -2.5295 -2.5219 -2.5219 -2.5112 -2.5112 -2.4461 -2.4461 -1.8718 -1.8718 -1.8216 -1.8216 -1.7675 -1.7675 -1.7473 -1.7473 4.3387 4.3387 4.5556 4.5556 4.6769 4.6769 4.7612 4.7612 4.8632 4.8632 4.8899 4.8899 5.7852 5.7852 5.8810 5.8810 5.8987 5.8987 5.9539 5.9539 6.1016 6.1016 6.1381 6.1381 7.7292 7.7292 8.0064 8.0064 8.1384 8.1384 8.3087 8.3087 8.4357 8.4357 8.6491 8.6491 k = 0.0000 0.0000 0.2644 ( 21543 PWs) bands (ev): -15.0655 -15.0655 -15.0549 -15.0549 -14.4587 -14.4587 -14.4510 -14.4510 -3.9093 -3.9093 -3.8938 -3.8938 -3.2731 -3.2731 -3.2330 -3.2330 -2.5288 -2.5288 -2.5237 -2.5237 -2.5014 -2.5014 -2.4578 -2.4578 -1.8546 -1.8546 -1.8084 -1.8084 -1.7846 -1.7846 -1.7587 -1.7587 4.3772 4.3772 4.5238 4.5238 4.6885 4.6885 4.7442 4.7442 4.8676 4.8676 4.8855 4.8855 5.8037 5.8037 5.8798 5.8798 5.8926 5.8926 5.9416 5.9416 6.1079 6.1079 6.1324 6.1324 7.7673 7.7673 7.9536 7.9536 8.1839 8.1839 8.3605 8.3605 8.3837 8.3837 8.5883 8.5883 k = 0.0000 0.0000 0.2820 ( 21519 PWs) bands (ev): -15.0629 -15.0629 -15.0575 -15.0575 -14.4568 -14.4568 -14.4529 -14.4529 -3.9056 -3.9056 -3.8978 -3.8978 -3.2629 -3.2629 -3.2427 -3.2427 -2.5279 -2.5279 -2.5253 -2.5253 -2.4911 -2.4911 -2.4692 -2.4692 -1.8371 -1.8371 -1.8020 -1.8020 -1.7955 -1.7955 -1.7705 -1.7705 4.4156 4.4156 4.4895 4.4895 4.7009 4.7009 4.7286 4.7286 4.8720 4.8720 4.8811 4.8811 5.8225 5.8225 5.8607 5.8607 5.9046 5.9046 5.9292 5.9292 6.1142 6.1142 6.1265 6.1265 7.8091 7.8091 7.9028 7.9028 8.2316 8.2316 8.3319 8.3319 8.4145 8.4145 8.5287 8.5287 k = 0.0000 0.0000 0.2997 ( 21530 PWs) bands (ev): -15.0602 -15.0602 -15.0602 -15.0602 -14.4548 -14.4548 -14.4548 -14.4548 -3.9017 -3.9017 -3.9017 -3.9017 -3.2528 -3.2528 -3.2528 -3.2528 -2.5267 -2.5267 -2.5267 -2.5267 -2.4803 -2.4803 -2.4803 -2.4803 -1.8196 -1.8196 -1.8196 -1.8196 -1.7828 -1.7828 -1.7828 -1.7828 4.4532 4.4532 4.4532 4.4532 4.7143 4.7143 4.7143 4.7143 4.8765 4.8765 4.8765 4.8765 5.8416 5.8416 5.8416 5.8416 5.9168 5.9168 5.9168 5.9168 6.1204 6.1204 6.1204 6.1204 7.8544 7.8544 7.8544 7.8544 8.2810 8.2810 8.2810 8.2810 8.4707 8.4707 8.4707 8.4707 k = 0.0000 0.0000 0.2997 ( 21530 PWs) bands (ev): -15.0602 -15.0602 -15.0602 -15.0602 -14.4548 -14.4548 -14.4548 -14.4548 -3.9017 -3.9017 -3.9017 -3.9017 -3.2528 -3.2528 -3.2528 -3.2528 -2.5267 -2.5267 -2.5267 -2.5267 -2.4803 -2.4803 -2.4803 -2.4803 -1.8196 -1.8196 -1.8196 -1.8196 -1.7828 -1.7828 -1.7828 -1.7828 4.4532 4.4532 4.4532 4.4532 4.7143 4.7143 4.7143 4.7143 4.8765 4.8765 4.8765 4.8765 5.8416 5.8416 5.8416 5.8416 5.9168 5.9168 5.9168 5.9168 6.1204 6.1204 6.1204 6.1204 7.8544 7.8544 7.8544 7.8544 8.2810 8.2810 8.2810 8.2810 8.4707 8.4707 8.4707 8.4707 k = 0.0156 0.0090 0.2997 ( 21540 PWs) bands (ev): -15.0602 -15.0602 -15.0602 -15.0602 -14.4549 -14.4549 -14.4549 -14.4549 -3.9018 -3.9018 -3.9018 -3.9018 -3.2534 -3.2534 -3.2534 -3.2534 -2.5283 -2.5283 -2.5283 -2.5283 -2.4784 -2.4784 -2.4784 -2.4784 -1.8234 -1.8234 -1.8234 -1.8234 -1.7791 -1.7791 -1.7791 -1.7791 4.4543 4.4543 4.4543 4.4543 4.7145 4.7145 4.7145 4.7145 4.8764 4.8764 4.8764 4.8764 5.8418 5.8418 5.8418 5.8418 5.9167 5.9167 5.9167 5.9167 6.1197 6.1197 6.1197 6.1197 7.8514 7.8514 7.8514 7.8514 8.2820 8.2820 8.2820 8.2820 8.4726 8.4726 8.4726 8.4726 k = 0.0312 0.0180 0.2997 ( 21540 PWs) bands (ev): -15.0600 -15.0600 -15.0600 -15.0600 -14.4550 -14.4550 -14.4550 -14.4550 -3.9019 -3.9019 -3.9019 -3.9019 -3.2553 -3.2553 -3.2553 -3.2553 -2.5322 -2.5322 -2.5322 -2.5322 -2.4732 -2.4732 -2.4732 -2.4732 -1.8321 -1.8321 -1.8321 -1.8321 -1.7707 -1.7707 -1.7707 -1.7707 4.4576 4.4576 4.4576 4.4576 4.7151 4.7151 4.7151 4.7151 4.8761 4.8761 4.8761 4.8761 5.8424 5.8424 5.8424 5.8424 5.9164 5.9164 5.9164 5.9164 6.1174 6.1174 6.1174 6.1174 7.8423 7.8423 7.8423 7.8423 8.2849 8.2849 8.2849 8.2849 8.4784 8.4784 8.4784 8.4784 k = 0.0469 0.0271 0.2997 ( 21560 PWs) bands (ev): -15.0597 -15.0597 -15.0597 -15.0597 -14.4551 -14.4551 -14.4551 -14.4551 -3.9021 -3.9021 -3.9021 -3.9021 -3.2585 -3.2585 -3.2585 -3.2585 -2.5374 -2.5374 -2.5374 -2.5374 -2.4660 -2.4660 -2.4660 -2.4660 -1.8426 -1.8426 -1.8426 -1.8426 -1.7608 -1.7608 -1.7608 -1.7608 4.4630 4.4630 4.4630 4.4630 4.7162 4.7162 4.7162 4.7162 4.8757 4.8757 4.8757 4.8757 5.8433 5.8433 5.8433 5.8433 5.9160 5.9160 5.9160 5.9160 6.1138 6.1138 6.1138 6.1138 7.8275 7.8275 7.8275 7.8275 8.2901 8.2901 8.2901 8.2901 8.4877 8.4877 8.4877 8.4877 k = 0.0625 0.0361 0.2997 ( 21558 PWs) bands (ev): -15.0594 -15.0594 -15.0594 -15.0594 -14.4554 -14.4554 -14.4554 -14.4554 -3.9023 -3.9023 -3.9023 -3.9023 -3.2629 -3.2629 -3.2629 -3.2629 -2.5431 -2.5431 -2.5431 -2.5431 -2.4576 -2.4576 -2.4576 -2.4576 -1.8536 -1.8536 -1.8536 -1.8536 -1.7505 -1.7505 -1.7505 -1.7505 4.4705 4.4705 4.4705 4.4705 4.7178 4.7178 4.7178 4.7178 4.8751 4.8751 4.8751 4.8751 5.8446 5.8446 5.8446 5.8446 5.9155 5.9155 5.9155 5.9155 6.1087 6.1087 6.1087 6.1087 7.8076 7.8076 7.8076 7.8076 8.2978 8.2978 8.2978 8.2978 8.5004 8.5004 8.5004 8.5004 k = 0.0781 0.0451 0.2997 ( 21576 PWs) bands (ev): -15.0589 -15.0589 -15.0589 -15.0589 -14.4557 -14.4557 -14.4557 -14.4557 -3.9026 -3.9026 -3.9026 -3.9026 -3.2685 -3.2685 -3.2685 -3.2685 -2.5489 -2.5489 -2.5489 -2.5489 -2.4485 -2.4485 -2.4485 -2.4485 -1.8645 -1.8645 -1.8645 -1.8645 -1.7404 -1.7404 -1.7404 -1.7404 4.4797 4.4797 4.4797 4.4797 4.7199 4.7199 4.7199 4.7199 4.8744 4.8744 4.8744 4.8744 5.8461 5.8461 5.8461 5.8461 5.9151 5.9151 5.9151 5.9151 6.1023 6.1023 6.1023 6.1023 7.7832 7.7832 7.7832 7.7832 8.3080 8.3080 8.3080 8.3080 8.5165 8.5165 8.5165 8.5165 k = 0.0938 0.0541 0.2997 ( 21572 PWs) bands (ev): -15.0584 -15.0584 -15.0584 -15.0584 -14.4560 -14.4560 -14.4560 -14.4560 -3.9030 -3.9030 -3.9030 -3.9030 -3.2752 -3.2752 -3.2752 -3.2752 -2.5544 -2.5544 -2.5544 -2.5544 -2.4392 -2.4392 -2.4392 -2.4392 -1.8751 -1.8751 -1.8751 -1.8751 -1.7307 -1.7307 -1.7307 -1.7307 4.4906 4.4906 4.4906 4.4906 4.7224 4.7224 4.7224 4.7224 4.8738 4.8738 4.8738 4.8738 5.8478 5.8478 5.8478 5.8478 5.9149 5.9149 5.9149 5.9149 6.0946 6.0946 6.0946 6.0946 7.7553 7.7553 7.7553 7.7553 8.3207 8.3207 8.3207 8.3207 8.5357 8.5357 8.5357 8.5357 k = 0.1094 0.0631 0.2997 ( 21570 PWs) bands (ev): -15.0577 -15.0577 -15.0577 -15.0577 -14.4564 -14.4564 -14.4564 -14.4564 -3.9034 -3.9034 -3.9034 -3.9034 -3.2829 -3.2829 -3.2829 -3.2829 -2.5595 -2.5595 -2.5595 -2.5595 -2.4297 -2.4297 -2.4297 -2.4297 -1.8851 -1.8851 -1.8851 -1.8851 -1.7216 -1.7216 -1.7216 -1.7216 4.5027 4.5027 4.5027 4.5027 4.7255 4.7255 4.7255 4.7255 4.8734 4.8734 4.8734 4.8734 5.8495 5.8495 5.8495 5.8495 5.9150 5.9150 5.9150 5.9150 6.0857 6.0857 6.0857 6.0857 7.7249 7.7249 7.7249 7.7249 8.3356 8.3356 8.3356 8.3356 8.5582 8.5582 8.5582 8.5582 k = 0.1250 0.0722 0.2997 ( 21570 PWs) bands (ev): -15.0570 -15.0570 -15.0570 -15.0570 -14.4568 -14.4568 -14.4568 -14.4568 -3.9038 -3.9038 -3.9038 -3.9038 -3.2915 -3.2915 -3.2915 -3.2915 -2.5643 -2.5643 -2.5643 -2.5643 -2.4203 -2.4203 -2.4203 -2.4203 -1.8943 -1.8943 -1.8943 -1.8943 -1.7132 -1.7132 -1.7132 -1.7132 4.5159 4.5159 4.5159 4.5159 4.7291 4.7291 4.7291 4.7291 4.8734 4.8734 4.8734 4.8734 5.8512 5.8512 5.8512 5.8512 5.9156 5.9156 5.9156 5.9156 6.0759 6.0759 6.0759 6.0759 7.6930 7.6930 7.6930 7.6930 8.3521 8.3521 8.3521 8.3521 8.5841 8.5841 8.5841 8.5841 k = 0.1406 0.0812 0.2997 ( 21568 PWs) bands (ev): -15.0562 -15.0562 -15.0562 -15.0562 -14.4573 -14.4573 -14.4573 -14.4573 -3.9043 -3.9043 -3.9043 -3.9043 -3.3010 -3.3010 -3.3010 -3.3010 -2.5687 -2.5687 -2.5687 -2.5687 -2.4112 -2.4112 -2.4112 -2.4112 -1.9025 -1.9025 -1.9025 -1.9025 -1.7055 -1.7055 -1.7055 -1.7055 4.5296 4.5296 4.5296 4.5296 4.7332 4.7332 4.7332 4.7332 4.8741 4.8741 4.8741 4.8741 5.8527 5.8527 5.8527 5.8527 5.9168 5.9168 5.9168 5.9168 6.0652 6.0652 6.0652 6.0652 7.6605 7.6605 7.6605 7.6605 8.3699 8.3699 8.3699 8.3699 8.6137 8.6137 8.6137 8.6137 k = 0.1562 0.0902 0.2997 ( 21562 PWs) bands (ev): -15.0553 -15.0553 -15.0553 -15.0553 -14.4579 -14.4579 -14.4579 -14.4579 -3.9047 -3.9047 -3.9047 -3.9047 -3.3112 -3.3112 -3.3112 -3.3112 -2.5727 -2.5727 -2.5727 -2.5727 -2.4025 -2.4025 -2.4025 -2.4025 -1.9097 -1.9097 -1.9097 -1.9097 -1.6987 -1.6987 -1.6987 -1.6987 4.5435 4.5435 4.5435 4.5435 4.7377 4.7377 4.7377 4.7377 4.8758 4.8758 4.8758 4.8758 5.8540 5.8540 5.8540 5.8540 5.9186 5.9186 5.9186 5.9186 6.0538 6.0538 6.0538 6.0538 7.6283 7.6283 7.6283 7.6283 8.3882 8.3882 8.3882 8.3882 8.6470 8.6470 8.6470 8.6470 k = 0.1719 0.0992 0.2997 ( 21556 PWs) bands (ev): -15.0544 -15.0544 -15.0544 -15.0544 -14.4585 -14.4585 -14.4585 -14.4585 -3.9052 -3.9052 -3.9052 -3.9052 -3.3221 -3.3221 -3.3221 -3.3221 -2.5763 -2.5763 -2.5763 -2.5763 -2.3943 -2.3943 -2.3943 -2.3943 -1.9157 -1.9157 -1.9157 -1.9157 -1.6927 -1.6927 -1.6927 -1.6927 4.5571 4.5571 4.5571 4.5571 4.7424 4.7424 4.7424 4.7424 4.8788 4.8788 4.8788 4.8788 5.8550 5.8550 5.8550 5.8550 5.9210 5.9210 5.9210 5.9210 6.0420 6.0420 6.0420 6.0420 7.5973 7.5973 7.5973 7.5973 8.4067 8.4067 8.4067 8.4067 8.6841 8.6841 8.6841 8.6841 k = 0.1875 0.1083 0.2997 ( 21552 PWs) bands (ev): -15.0534 -15.0534 -15.0534 -15.0534 -14.4591 -14.4591 -14.4591 -14.4591 -3.9056 -3.9056 -3.9056 -3.9056 -3.3335 -3.3335 -3.3335 -3.3335 -2.5796 -2.5796 -2.5796 -2.5796 -2.3866 -2.3866 -2.3866 -2.3866 -1.9205 -1.9205 -1.9205 -1.9205 -1.6876 -1.6876 -1.6876 -1.6876 4.5700 4.5700 4.5700 4.5700 4.7471 4.7471 4.7471 4.7471 4.8837 4.8837 4.8837 4.8837 5.8557 5.8557 5.8557 5.8557 5.9238 5.9238 5.9238 5.9238 6.0301 6.0301 6.0301 6.0301 7.5682 7.5682 7.5682 7.5682 8.4250 8.4250 8.4250 8.4250 8.7250 8.7250 8.7250 8.7250 k = 0.2031 0.1173 0.2997 ( 21532 PWs) bands (ev): -15.0524 -15.0524 -15.0524 -15.0524 -14.4597 -14.4597 -14.4597 -14.4597 -3.9060 -3.9060 -3.9060 -3.9060 -3.3453 -3.3453 -3.3453 -3.3453 -2.5825 -2.5825 -2.5825 -2.5825 -2.3797 -2.3797 -2.3797 -2.3797 -1.9239 -1.9239 -1.9239 -1.9239 -1.6834 -1.6834 -1.6834 -1.6834 4.5820 4.5820 4.5820 4.5820 4.7514 4.7514 4.7514 4.7514 4.8908 4.8908 4.8908 4.8908 5.8560 5.8560 5.8560 5.8560 5.9266 5.9266 5.9266 5.9266 6.0185 6.0185 6.0185 6.0185 7.5416 7.5416 7.5416 7.5416 8.4427 8.4427 8.4427 8.4427 8.7697 8.7697 8.7697 8.7697 k = 0.2188 0.1263 0.2997 ( 21518 PWs) bands (ev): -15.0514 -15.0514 -15.0514 -15.0514 -14.4604 -14.4604 -14.4604 -14.4604 -3.9064 -3.9064 -3.9064 -3.9064 -3.3574 -3.3574 -3.3574 -3.3574 -2.5852 -2.5852 -2.5852 -2.5852 -2.3735 -2.3735 -2.3735 -2.3735 -1.9260 -1.9260 -1.9260 -1.9260 -1.6801 -1.6801 -1.6801 -1.6801 4.5926 4.5926 4.5926 4.5926 4.7552 4.7552 4.7552 4.7552 4.9006 4.9006 4.9006 4.9006 5.8559 5.8559 5.8559 5.8559 5.9290 5.9290 5.9290 5.9290 6.0078 6.0078 6.0078 6.0078 7.5180 7.5180 7.5180 7.5180 8.4596 8.4596 8.4596 8.4596 8.8178 8.8178 8.8178 8.8178 k = 0.2344 0.1353 0.2997 ( 21524 PWs) bands (ev): -15.0503 -15.0503 -15.0503 -15.0503 -14.4610 -14.4610 -14.4610 -14.4610 -3.9067 -3.9067 -3.9067 -3.9067 -3.3696 -3.3696 -3.3696 -3.3696 -2.5876 -2.5876 -2.5876 -2.5876 -2.3680 -2.3680 -2.3680 -2.3680 -1.9267 -1.9267 -1.9267 -1.9267 -1.6776 -1.6776 -1.6776 -1.6776 4.6017 4.6017 4.6017 4.6017 4.7582 4.7582 4.7582 4.7582 4.9130 4.9130 4.9130 4.9130 5.8553 5.8553 5.8553 5.8553 5.9304 5.9304 5.9304 5.9304 5.9988 5.9988 5.9988 5.9988 7.4979 7.4979 7.4979 7.4979 8.4756 8.4756 8.4756 8.4756 8.8692 8.8692 8.8692 8.8692 k = 0.2500 0.1443 0.2997 ( 21524 PWs) bands (ev): -15.0492 -15.0492 -15.0492 -15.0492 -14.4617 -14.4617 -14.4617 -14.4617 -3.9069 -3.9069 -3.9069 -3.9069 -3.3819 -3.3819 -3.3819 -3.3819 -2.5898 -2.5898 -2.5898 -2.5898 -2.3633 -2.3633 -2.3633 -2.3633 -1.9261 -1.9261 -1.9261 -1.9261 -1.6761 -1.6761 -1.6761 -1.6761 4.6092 4.6092 4.6092 4.6092 4.7604 4.7604 4.7604 4.7604 4.9279 4.9279 4.9279 4.9279 5.8541 5.8541 5.8541 5.8541 5.9299 5.9299 5.9299 5.9299 5.9925 5.9925 5.9925 5.9925 7.4816 7.4816 7.4816 7.4816 8.4905 8.4905 8.4905 8.4905 8.9234 8.9234 8.9234 8.9234 k = 0.2656 0.1534 0.2997 ( 21532 PWs) bands (ev): -15.0481 -15.0481 -15.0481 -15.0481 -14.4624 -14.4624 -14.4624 -14.4624 -3.9071 -3.9071 -3.9071 -3.9071 -3.3942 -3.3942 -3.3942 -3.3942 -2.5918 -2.5918 -2.5918 -2.5918 -2.3593 -2.3593 -2.3593 -2.3593 -1.9242 -1.9242 -1.9242 -1.9242 -1.6753 -1.6753 -1.6753 -1.6753 4.6152 4.6152 4.6152 4.6152 4.7620 4.7620 4.7620 4.7620 4.9451 4.9451 4.9451 4.9451 5.8519 5.8519 5.8519 5.8519 5.9272 5.9272 5.9272 5.9272 5.9894 5.9894 5.9894 5.9894 7.4693 7.4693 7.4693 7.4693 8.5041 8.5041 8.5041 8.5041 8.9802 8.9802 8.9802 8.9802 k = 0.2812 0.1624 0.2997 ( 21526 PWs) bands (ev): -15.0470 -15.0470 -15.0470 -15.0470 -14.4631 -14.4631 -14.4631 -14.4631 -3.9073 -3.9073 -3.9073 -3.9073 -3.4063 -3.4063 -3.4063 -3.4063 -2.5937 -2.5937 -2.5937 -2.5937 -2.3560 -2.3560 -2.3560 -2.3560 -1.9212 -1.9212 -1.9212 -1.9212 -1.6753 -1.6753 -1.6753 -1.6753 4.6197 4.6197 4.6197 4.6197 4.7631 4.7631 4.7631 4.7631 4.9640 4.9640 4.9640 4.9640 5.8486 5.8486 5.8486 5.8486 5.9227 5.9227 5.9227 5.9227 5.9893 5.9893 5.9893 5.9893 7.4612 7.4612 7.4612 7.4612 8.5163 8.5163 8.5163 8.5163 9.0391 9.0391 9.0391 9.0391 k = 0.2969 0.1714 0.2997 ( 21526 PWs) bands (ev): -15.0460 -15.0460 -15.0460 -15.0460 -14.4638 -14.4638 -14.4638 -14.4638 -3.9073 -3.9073 -3.9073 -3.9073 -3.4181 -3.4181 -3.4181 -3.4181 -2.5953 -2.5953 -2.5953 -2.5953 -2.3533 -2.3533 -2.3533 -2.3533 -1.9172 -1.9172 -1.9172 -1.9172 -1.6761 -1.6761 -1.6761 -1.6761 4.6229 4.6229 4.6229 4.6229 4.7639 4.7639 4.7639 4.7639 4.9842 4.9842 4.9842 4.9842 5.8440 5.8440 5.8440 5.8440 5.9174 5.9174 5.9174 5.9174 5.9913 5.9913 5.9913 5.9913 7.4574 7.4574 7.4574 7.4574 8.5271 8.5271 8.5271 8.5271 9.0998 9.0998 9.0998 9.0998 k = 0.3125 0.1804 0.2997 ( 21526 PWs) bands (ev): -15.0449 -15.0449 -15.0449 -15.0449 -14.4644 -14.4644 -14.4644 -14.4644 -3.9073 -3.9073 -3.9073 -3.9073 -3.4295 -3.4295 -3.4295 -3.4295 -2.5969 -2.5969 -2.5969 -2.5969 -2.3512 -2.3512 -2.3512 -2.3512 -1.9123 -1.9123 -1.9123 -1.9123 -1.6775 -1.6775 -1.6775 -1.6775 4.6248 4.6248 4.6248 4.6248 4.7647 4.7647 4.7647 4.7647 5.0051 5.0051 5.0051 5.0051 5.8381 5.8381 5.8381 5.8381 5.9122 5.9122 5.9122 5.9122 5.9946 5.9946 5.9946 5.9946 7.4576 7.4576 7.4576 7.4576 8.5363 8.5363 8.5363 8.5363 9.1617 9.1617 9.1617 9.1617 k = 0.3281 0.1894 0.2997 ( 21530 PWs) bands (ev): -15.0439 -15.0439 -15.0439 -15.0439 -14.4650 -14.4650 -14.4650 -14.4650 -3.9073 -3.9073 -3.9073 -3.9073 -3.4404 -3.4404 -3.4404 -3.4404 -2.5984 -2.5984 -2.5984 -2.5984 -2.3496 -2.3496 -2.3496 -2.3496 -1.9067 -1.9067 -1.9067 -1.9067 -1.6796 -1.6796 -1.6796 -1.6796 4.6256 4.6256 4.6256 4.6256 4.7654 4.7654 4.7654 4.7654 5.0261 5.0261 5.0261 5.0261 5.8310 5.8310 5.8310 5.8310 5.9076 5.9076 5.9076 5.9076 5.9985 5.9985 5.9985 5.9985 7.4618 7.4618 7.4618 7.4618 8.5438 8.5438 8.5438 8.5438 9.2246 9.2246 9.2246 9.2246 k = 0.3438 0.1985 0.2997 ( 21554 PWs) bands (ev): -15.0430 -15.0430 -15.0430 -15.0430 -14.4656 -14.4656 -14.4656 -14.4656 -3.9072 -3.9072 -3.9072 -3.9072 -3.4507 -3.4507 -3.4507 -3.4507 -2.5997 -2.5997 -2.5997 -2.5997 -2.3483 -2.3483 -2.3483 -2.3483 -1.9005 -1.9005 -1.9005 -1.9005 -1.6821 -1.6821 -1.6821 -1.6821 4.6255 4.6255 4.6255 4.6255 4.7661 4.7661 4.7661 4.7661 5.0470 5.0470 5.0470 5.0470 5.8231 5.8231 5.8231 5.8231 5.9037 5.9037 5.9037 5.9037 6.0026 6.0026 6.0026 6.0026 7.4694 7.4694 7.4694 7.4694 8.5496 8.5496 8.5496 8.5496 9.2880 9.2880 9.2880 9.2880 k = 0.3594 0.2075 0.2997 ( 21546 PWs) bands (ev): -15.0421 -15.0421 -15.0421 -15.0421 -14.4662 -14.4662 -14.4662 -14.4662 -3.9070 -3.9070 -3.9070 -3.9070 -3.4604 -3.4604 -3.4604 -3.4604 -2.6009 -2.6009 -2.6009 -2.6009 -2.3474 -2.3474 -2.3474 -2.3474 -1.8939 -1.8939 -1.8939 -1.8939 -1.6851 -1.6851 -1.6851 -1.6851 4.6247 4.6247 4.6247 4.6247 4.7670 4.7670 4.7670 4.7670 5.0673 5.0673 5.0673 5.0673 5.8148 5.8148 5.8148 5.8148 5.9004 5.9004 5.9004 5.9004 6.0066 6.0066 6.0066 6.0066 7.4801 7.4801 7.4801 7.4801 8.5537 8.5537 8.5537 8.5537 9.3512 9.3512 9.3512 9.3512 k = 0.3750 0.2165 0.2997 ( 21558 PWs) bands (ev): -15.0413 -15.0413 -15.0413 -15.0413 -14.4667 -14.4667 -14.4667 -14.4667 -3.9069 -3.9069 -3.9069 -3.9069 -3.4693 -3.4693 -3.4693 -3.4693 -2.6020 -2.6020 -2.6020 -2.6020 -2.3468 -2.3468 -2.3468 -2.3468 -1.8872 -1.8872 -1.8872 -1.8872 -1.6885 -1.6885 -1.6885 -1.6885 4.6235 4.6235 4.6235 4.6235 4.7679 4.7679 4.7679 4.7679 5.0866 5.0866 5.0866 5.0866 5.8065 5.8065 5.8065 5.8065 5.8974 5.8974 5.8974 5.8974 6.0104 6.0104 6.0104 6.0104 7.4931 7.4931 7.4931 7.4931 8.5562 8.5562 8.5562 8.5562 9.4138 9.4138 9.4138 9.4138 k = 0.3906 0.2255 0.2997 ( 21544 PWs) bands (ev): -15.0405 -15.0405 -15.0405 -15.0405 -14.4672 -14.4672 -14.4672 -14.4672 -3.9067 -3.9067 -3.9067 -3.9067 -3.4773 -3.4773 -3.4773 -3.4773 -2.6030 -2.6030 -2.6030 -2.6030 -2.3464 -2.3464 -2.3464 -2.3464 -1.8804 -1.8804 -1.8804 -1.8804 -1.6921 -1.6921 -1.6921 -1.6921 4.6219 4.6219 4.6219 4.6219 4.7688 4.7688 4.7688 4.7688 5.1046 5.1046 5.1046 5.1046 5.7985 5.7985 5.7985 5.7985 5.8947 5.8947 5.8947 5.8947 6.0138 6.0138 6.0138 6.0138 7.5078 7.5078 7.5078 7.5078 8.5571 8.5571 8.5571 8.5571 9.4751 9.4751 9.4751 9.4751 k = 0.4062 0.2345 0.2997 ( 21540 PWs) bands (ev): -15.0398 -15.0398 -15.0398 -15.0398 -14.4676 -14.4676 -14.4676 -14.4676 -3.9065 -3.9065 -3.9065 -3.9065 -3.4845 -3.4845 -3.4845 -3.4845 -2.6039 -2.6039 -2.6039 -2.6039 -2.3461 -2.3461 -2.3461 -2.3461 -1.8739 -1.8739 -1.8739 -1.8739 -1.6957 -1.6957 -1.6957 -1.6957 4.6201 4.6201 4.6201 4.6201 4.7697 4.7697 4.7697 4.7697 5.1209 5.1209 5.1209 5.1209 5.7912 5.7912 5.7912 5.7912 5.8922 5.8922 5.8922 5.8922 6.0169 6.0169 6.0169 6.0169 7.5233 7.5233 7.5233 7.5233 8.5568 8.5568 8.5568 8.5568 9.5344 9.5344 9.5344 9.5344 k = 0.4219 0.2436 0.2997 ( 21544 PWs) bands (ev): -15.0393 -15.0393 -15.0393 -15.0393 -14.4680 -14.4680 -14.4680 -14.4680 -3.9063 -3.9063 -3.9063 -3.9063 -3.4906 -3.4906 -3.4906 -3.4906 -2.6046 -2.6046 -2.6046 -2.6046 -2.3459 -2.3459 -2.3459 -2.3459 -1.8678 -1.8678 -1.8678 -1.8678 -1.6993 -1.6993 -1.6993 -1.6993 4.6184 4.6184 4.6184 4.6184 4.7706 4.7706 4.7706 4.7706 5.1353 5.1353 5.1353 5.1353 5.7846 5.7846 5.7846 5.7846 5.8900 5.8900 5.8900 5.8900 6.0196 6.0196 6.0196 6.0196 7.5387 7.5387 7.5387 7.5387 8.5556 8.5556 8.5556 8.5556 9.5905 9.5905 9.5905 9.5905 k = 0.4375 0.2526 0.2997 ( 21564 PWs) bands (ev): -15.0388 -15.0388 -15.0388 -15.0388 -14.4683 -14.4683 -14.4683 -14.4683 -3.9061 -3.9061 -3.9061 -3.9061 -3.4958 -3.4958 -3.4958 -3.4958 -2.6053 -2.6053 -2.6053 -2.6053 -2.3459 -2.3459 -2.3459 -2.3459 -1.8624 -1.8624 -1.8624 -1.8624 -1.7026 -1.7026 -1.7026 -1.7026 4.6168 4.6168 4.6168 4.6168 4.7714 4.7714 4.7714 4.7714 5.1475 5.1475 5.1475 5.1475 5.7791 5.7791 5.7791 5.7791 5.8879 5.8879 5.8879 5.8879 6.0218 6.0218 6.0218 6.0218 7.5529 7.5529 7.5529 7.5529 8.5538 8.5538 8.5538 8.5538 9.6423 9.6423 9.6423 9.6423 k = 0.4531 0.2616 0.2997 ( 21556 PWs) bands (ev): -15.0384 -15.0384 -15.0384 -15.0384 -14.4685 -14.4685 -14.4685 -14.4685 -3.9059 -3.9059 -3.9059 -3.9059 -3.4998 -3.4998 -3.4998 -3.4998 -2.6058 -2.6058 -2.6058 -2.6058 -2.3458 -2.3458 -2.3458 -2.3458 -1.8578 -1.8578 -1.8578 -1.8578 -1.7055 -1.7055 -1.7055 -1.7055 4.6155 4.6155 4.6155 4.6155 4.7720 4.7720 4.7720 4.7720 5.1573 5.1573 5.1573 5.1573 5.7747 5.7747 5.7747 5.7747 5.8863 5.8863 5.8863 5.8863 6.0235 6.0235 6.0235 6.0235 7.5652 7.5652 7.5652 7.5652 8.5518 8.5518 8.5518 8.5518 9.6878 9.6878 9.6878 9.6878 k = 0.4688 0.2706 0.2997 ( 21558 PWs) bands (ev): -15.0382 -15.0382 -15.0382 -15.0382 -14.4687 -14.4687 -14.4687 -14.4687 -3.9058 -3.9058 -3.9058 -3.9058 -3.5027 -3.5027 -3.5027 -3.5027 -2.6061 -2.6061 -2.6061 -2.6061 -2.3458 -2.3458 -2.3458 -2.3458 -1.8543 -1.8543 -1.8543 -1.8543 -1.7077 -1.7077 -1.7077 -1.7077 4.6144 4.6144 4.6144 4.6144 4.7724 4.7724 4.7724 4.7724 5.1644 5.1644 5.1644 5.1644 5.7715 5.7715 5.7715 5.7715 5.8850 5.8850 5.8850 5.8850 6.0248 6.0248 6.0248 6.0248 7.5746 7.5746 7.5746 7.5746 8.5500 8.5500 8.5500 8.5500 9.7241 9.7241 9.7241 9.7241 k = 0.4844 0.2797 0.2997 ( 21580 PWs) bands (ev): -15.0380 -15.0380 -15.0380 -15.0380 -14.4688 -14.4688 -14.4688 -14.4688 -3.9057 -3.9057 -3.9057 -3.9057 -3.5044 -3.5044 -3.5044 -3.5044 -2.6063 -2.6063 -2.6063 -2.6063 -2.3458 -2.3458 -2.3458 -2.3458 -1.8522 -1.8522 -1.8522 -1.8522 -1.7091 -1.7091 -1.7091 -1.7091 4.6138 4.6138 4.6138 4.6138 4.7727 4.7727 4.7727 4.7727 5.1688 5.1688 5.1688 5.1688 5.7696 5.7696 5.7696 5.7696 5.8842 5.8842 5.8842 5.8842 6.0255 6.0255 6.0255 6.0255 7.5806 7.5806 7.5806 7.5806 8.5488 8.5488 8.5488 8.5488 9.7476 9.7476 9.7476 9.7476 k = 0.5000 0.2887 0.2997 ( 21560 PWs) bands (ev): -15.0379 -15.0379 -15.0379 -15.0379 -14.4688 -14.4688 -14.4688 -14.4688 -3.9057 -3.9057 -3.9057 -3.9057 -3.5050 -3.5050 -3.5050 -3.5050 -2.6064 -2.6064 -2.6064 -2.6064 -2.3458 -2.3458 -2.3458 -2.3458 -1.8514 -1.8514 -1.8514 -1.8514 -1.7096 -1.7096 -1.7096 -1.7096 4.6136 4.6136 4.6136 4.6136 4.7728 4.7728 4.7728 4.7728 5.1702 5.1702 5.1702 5.1702 5.7689 5.7689 5.7689 5.7689 5.8839 5.8839 5.8839 5.8839 6.0258 6.0258 6.0258 6.0258 7.5826 7.5826 7.5826 7.5826 8.5484 8.5484 8.5484 8.5484 9.7557 9.7557 9.7557 9.7557 k = 0.5000 0.2887 0.2997 ( 21560 PWs) bands (ev): -15.0379 -15.0379 -15.0379 -15.0379 -14.4688 -14.4688 -14.4688 -14.4688 -3.9057 -3.9057 -3.9057 -3.9057 -3.5050 -3.5050 -3.5050 -3.5050 -2.6064 -2.6064 -2.6064 -2.6064 -2.3458 -2.3458 -2.3458 -2.3458 -1.8514 -1.8514 -1.8514 -1.8514 -1.7096 -1.7096 -1.7096 -1.7096 4.6136 4.6136 4.6136 4.6136 4.7728 4.7728 4.7728 4.7728 5.1702 5.1702 5.1702 5.1702 5.7689 5.7689 5.7689 5.7689 5.8839 5.8839 5.8839 5.8839 6.0258 6.0258 6.0258 6.0258 7.5826 7.5826 7.5826 7.5826 8.5484 8.5484 8.5484 8.5484 9.7557 9.7557 9.7557 9.7557 k = 0.4912 0.3039 0.2997 ( 21576 PWs) bands (ev): -15.0379 -15.0379 -15.0379 -15.0379 -14.4689 -14.4689 -14.4688 -14.4688 -3.9096 -3.9096 -3.9019 -3.9019 -3.5077 -3.5077 -3.5026 -3.5026 -2.6141 -2.6141 -2.5979 -2.5979 -2.3530 -2.3530 -2.3399 -2.3399 -1.8566 -1.8566 -1.8456 -1.8456 -1.7190 -1.7190 -1.7004 -1.7004 4.6078 4.6078 4.6192 4.6192 4.7689 4.7689 4.7768 4.7768 5.1652 5.1652 5.1767 5.1767 5.7578 5.7578 5.7791 5.7791 5.8775 5.8775 5.8907 5.8907 6.0223 6.0223 6.0293 6.0293 7.5833 7.5833 7.5858 7.5858 8.5379 8.5379 8.5557 8.5557 9.7154 9.7154 9.7653 9.7653 k = 0.4825 0.3191 0.2997 ( 21574 PWs) bands (ev): -15.0379 -15.0379 -15.0379 -15.0379 -14.4690 -14.4690 -14.4688 -14.4688 -3.9134 -3.9134 -3.8981 -3.8981 -3.5106 -3.5106 -3.5004 -3.5004 -2.6208 -2.6208 -2.5885 -2.5885 -2.3613 -2.3613 -2.3353 -2.3353 -1.8611 -1.8611 -1.8392 -1.8392 -1.7285 -1.7285 -1.6915 -1.6915 4.6018 4.6018 4.6245 4.6245 4.7651 4.7651 4.7809 4.7809 5.1617 5.1617 5.1844 5.1844 5.7456 5.7456 5.7883 5.7883 5.8717 5.8717 5.8978 5.8978 6.0189 6.0189 6.0328 6.0328 7.5879 7.5879 7.5930 7.5930 8.5243 8.5243 8.5599 8.5599 9.6628 9.6628 9.7386 9.7386 k = 0.4737 0.3343 0.2997 ( 21568 PWs) bands (ev): -15.0378 -15.0378 -15.0378 -15.0378 -14.4690 -14.4690 -14.4688 -14.4688 -3.9173 -3.9173 -3.8945 -3.8945 -3.5137 -3.5137 -3.4985 -3.4985 -2.6266 -2.6266 -2.5784 -2.5784 -2.3707 -2.3707 -2.3321 -2.3321 -1.8651 -1.8651 -1.8322 -1.8322 -1.7379 -1.7379 -1.6830 -1.6830 4.5957 4.5957 4.6295 4.6295 4.7616 4.7616 4.7849 4.7849 5.1598 5.1598 5.1933 5.1933 5.7324 5.7324 5.7966 5.7966 5.8665 5.8665 5.9050 5.9050 6.0157 6.0157 6.0362 6.0362 7.5961 7.5961 7.6040 7.6040 8.5079 8.5079 8.5610 8.5610 9.6085 9.6085 9.6935 9.6935 k = 0.4649 0.3494 0.2997 ( 21566 PWs) bands (ev): -15.0377 -15.0377 -15.0377 -15.0377 -14.4691 -14.4691 -14.4688 -14.4688 -3.9211 -3.9211 -3.8909 -3.8909 -3.5170 -3.5170 -3.4968 -3.4968 -2.6313 -2.6313 -2.5677 -2.5677 -2.3812 -2.3812 -2.3301 -2.3301 -1.8686 -1.8686 -1.8245 -1.8245 -1.7470 -1.7470 -1.6751 -1.6751 4.5897 4.5897 4.6340 4.6340 4.7582 4.7582 4.7889 4.7889 5.1596 5.1596 5.2031 5.2031 5.7185 5.7185 5.8042 5.8042 5.8620 5.8620 5.9120 5.9120 6.0127 6.0127 6.0395 6.0395 7.6077 7.6077 7.6186 7.6186 8.4889 8.4889 8.5592 8.5592 9.5566 9.5566 9.6447 9.6447 k = 0.4561 0.3646 0.2997 ( 21562 PWs) bands (ev): -15.0375 -15.0375 -15.0375 -15.0375 -14.4693 -14.4693 -14.4689 -14.4689 -3.9249 -3.9249 -3.8875 -3.8875 -3.5205 -3.5205 -3.4954 -3.4954 -2.6349 -2.6349 -2.5565 -2.5565 -2.3924 -2.3924 -2.3295 -2.3295 -1.8716 -1.8716 -1.8164 -1.8164 -1.7557 -1.7557 -1.6678 -1.6678 4.5837 4.5837 4.6380 4.6380 4.7551 4.7551 4.7927 4.7927 5.1611 5.1611 5.2136 5.2136 5.7039 5.7039 5.8111 5.8111 5.8581 5.8581 5.9186 5.9186 6.0101 6.0101 6.0427 6.0427 7.6222 7.6222 7.6365 7.6365 8.4678 8.4678 8.5548 8.5548 9.5088 9.5088 9.5978 9.5978 k = 0.4474 0.3798 0.2997 ( 21534 PWs) bands (ev): -15.0374 -15.0374 -15.0374 -15.0374 -14.4694 -14.4694 -14.4689 -14.4689 -3.9286 -3.9286 -3.8842 -3.8842 -3.5241 -3.5241 -3.4942 -3.4942 -2.6375 -2.6375 -2.5448 -2.5448 -2.4044 -2.4044 -2.3302 -2.3302 -1.8744 -1.8744 -1.8078 -1.8078 -1.7639 -1.7639 -1.6613 -1.6613 4.5777 4.5777 4.6416 4.6416 4.7523 4.7523 4.7964 4.7964 5.1643 5.1643 5.2246 5.2246 5.6888 5.6888 5.8174 5.8174 5.8548 5.8548 5.9247 5.9247 6.0080 6.0080 6.0457 6.0457 7.6394 7.6394 7.6572 7.6572 8.4453 8.4453 8.5482 8.5482 9.4655 9.4655 9.5549 9.5549 k = 0.4386 0.3950 0.2997 ( 21526 PWs) bands (ev): -15.0372 -15.0372 -15.0372 -15.0372 -14.4696 -14.4696 -14.4690 -14.4690 -3.9321 -3.9321 -3.8811 -3.8811 -3.5279 -3.5279 -3.4933 -3.4933 -2.6390 -2.6390 -2.5328 -2.5328 -2.4169 -2.4169 -2.3319 -2.3319 -1.8771 -1.8771 -1.7989 -1.7989 -1.7713 -1.7713 -1.6557 -1.6557 4.5720 4.5720 4.6446 4.6446 4.7499 4.7499 4.7999 4.7999 5.1692 5.1692 5.2360 5.2360 5.6734 5.6734 5.8232 5.8232 5.8520 5.8520 5.9300 5.9300 6.0065 6.0065 6.0486 6.0486 7.6585 7.6585 7.6801 7.6801 8.4223 8.4223 8.5399 8.5399 9.4267 9.4267 9.5166 9.5166 k = 0.4298 0.4102 0.2997 ( 21548 PWs) bands (ev): -15.0370 -15.0370 -15.0370 -15.0370 -14.4697 -14.4697 -14.4691 -14.4691 -3.9355 -3.9355 -3.8782 -3.8782 -3.5316 -3.5316 -3.4925 -3.4925 -2.6394 -2.6394 -2.5206 -2.5206 -2.4299 -2.4299 -2.3348 -2.3348 -1.8796 -1.8796 -1.7897 -1.7897 -1.7780 -1.7780 -1.6509 -1.6509 4.5664 4.5664 4.6471 4.6471 4.7478 4.7478 4.8032 4.8032 5.1755 5.1755 5.2474 5.2474 5.6580 5.6580 5.8285 5.8285 5.8496 5.8496 5.9346 5.9346 6.0056 6.0056 6.0514 6.0514 7.6789 7.6789 7.7043 7.7043 8.3998 8.3998 8.5308 8.5308 9.3921 9.3921 9.4831 9.4831 k = 0.4211 0.4254 0.2997 ( 21552 PWs) bands (ev): -15.0368 -15.0368 -15.0368 -15.0368 -14.4699 -14.4699 -14.4692 -14.4692 -3.9387 -3.9387 -3.8754 -3.8754 -3.5354 -3.5354 -3.4920 -3.4920 -2.6387 -2.6387 -2.5083 -2.5083 -2.4431 -2.4431 -2.3386 -2.3386 -1.8823 -1.8823 -1.7838 -1.7838 -1.7803 -1.7803 -1.6471 -1.6471 4.5610 4.5610 4.6492 4.6492 4.7462 4.7462 4.8061 4.8061 5.1833 5.1833 5.2586 5.2586 5.6426 5.6426 5.8335 5.8335 5.8476 5.8476 5.9382 5.9382 6.0054 6.0054 6.0540 6.0540 7.7000 7.7000 7.7290 7.7290 8.3790 8.3790 8.5216 8.5216 9.3611 9.3611 9.4540 9.4540 k = 0.4123 0.4406 0.2997 ( 21546 PWs) bands (ev): -15.0365 -15.0365 -15.0365 -15.0365 -14.4700 -14.4700 -14.4693 -14.4693 -3.9417 -3.9417 -3.8729 -3.8729 -3.5391 -3.5391 -3.4916 -3.4916 -2.6370 -2.6370 -2.4959 -2.4959 -2.4565 -2.4565 -2.3432 -2.3432 -1.8850 -1.8850 -1.7886 -1.7886 -1.7708 -1.7708 -1.6442 -1.6442 4.5560 4.5560 4.6507 4.6507 4.7449 4.7449 4.8087 4.8087 5.1922 5.1922 5.2695 5.2695 5.6276 5.6276 5.8381 5.8381 5.8457 5.8457 5.9410 5.9410 6.0059 6.0059 6.0566 6.0566 7.7210 7.7210 7.7530 7.7530 8.3614 8.3614 8.5133 8.5133 9.3329 9.3329 9.4285 9.4285 k = 0.4035 0.4558 0.2997 ( 21550 PWs) bands (ev): -15.0363 -15.0363 -15.0363 -15.0363 -14.4702 -14.4702 -14.4694 -14.4694 -3.9444 -3.9444 -3.8706 -3.8706 -3.5427 -3.5427 -3.4914 -3.4914 -2.6343 -2.6343 -2.4837 -2.4837 -2.4699 -2.4699 -2.3485 -2.3485 -1.8878 -1.8878 -1.7925 -1.7925 -1.7613 -1.7613 -1.6424 -1.6424 4.5513 4.5513 4.6519 4.6519 4.7439 4.7439 4.8111 4.8111 5.2021 5.2021 5.2798 5.2798 5.6130 5.6130 5.8424 5.8424 5.8440 5.8440 5.9430 5.9430 6.0071 6.0071 6.0591 6.0591 7.7412 7.7412 7.7752 7.7752 8.3482 8.3482 8.5067 8.5067 9.3067 9.3067 9.4060 9.4060 k = 0.3947 0.4710 0.2997 ( 21532 PWs) bands (ev): -15.0361 -15.0361 -15.0361 -15.0361 -14.4704 -14.4704 -14.4696 -14.4696 -3.9469 -3.9469 -3.8685 -3.8685 -3.5461 -3.5461 -3.4913 -3.4913 -2.6306 -2.6306 -2.4831 -2.4831 -2.4717 -2.4717 -2.3544 -2.3544 -1.8906 -1.8906 -1.7956 -1.7956 -1.7519 -1.7519 -1.6415 -1.6415 4.5469 4.5469 4.6527 4.6527 4.7433 4.7433 4.8131 4.8131 5.2125 5.2125 5.2893 5.2893 5.5992 5.5992 5.8423 5.8423 5.8463 5.8463 5.9442 5.9442 6.0087 6.0087 6.0615 6.0615 7.7598 7.7598 7.7944 7.7944 8.3404 8.3404 8.5025 8.5025 9.2818 9.2818 9.3857 9.3857 k = 0.3860 0.4862 0.2997 ( 21532 PWs) bands (ev): -15.0359 -15.0359 -15.0359 -15.0359 -14.4705 -14.4705 -14.4697 -14.4697 -3.9491 -3.9491 -3.8667 -3.8667 -3.5493 -3.5493 -3.4914 -3.4914 -2.6261 -2.6261 -2.4960 -2.4960 -2.4601 -2.4601 -2.3608 -2.3608 -1.8934 -1.8934 -1.7979 -1.7979 -1.7428 -1.7428 -1.6417 -1.6417 4.5430 4.5430 4.6532 4.6532 4.7430 4.7430 4.8147 4.8147 5.2232 5.2232 5.2979 5.2979 5.5863 5.5863 5.8408 5.8408 5.8498 5.8498 5.9448 5.9448 6.0106 6.0106 6.0638 6.0638 7.7763 7.7763 7.8099 7.8099 8.3384 8.3384 8.5010 8.5010 9.2577 9.2577 9.3669 9.3669 k = 0.3772 0.5014 0.2997 ( 21548 PWs) bands (ev): -15.0357 -15.0357 -15.0357 -15.0357 -14.4707 -14.4707 -14.4698 -14.4698 -3.9510 -3.9510 -3.8652 -3.8652 -3.5522 -3.5522 -3.4915 -3.4915 -2.6209 -2.6209 -2.5084 -2.5084 -2.4490 -2.4490 -2.3675 -2.3675 -1.8960 -1.8960 -1.7996 -1.7996 -1.7340 -1.7340 -1.6427 -1.6427 4.5396 4.5396 4.6535 4.6535 4.7429 4.7429 4.8161 4.8161 5.2336 5.2336 5.3053 5.3053 5.5746 5.5746 5.8392 5.8392 5.8528 5.8528 5.9450 5.9450 6.0127 6.0127 6.0659 6.0659 7.7903 7.7903 7.8215 7.8215 8.3420 8.3420 8.5022 8.5022 9.2344 9.2344 9.3495 9.3495 k = 0.3684 0.5166 0.2997 ( 21548 PWs) bands (ev): -15.0355 -15.0355 -15.0355 -15.0355 -14.4708 -14.4708 -14.4699 -14.4699 -3.9525 -3.9525 -3.8639 -3.8639 -3.5547 -3.5547 -3.4918 -3.4918 -2.6150 -2.6150 -2.5201 -2.5201 -2.4384 -2.4384 -2.3744 -2.3744 -1.8984 -1.8984 -1.8008 -1.8008 -1.7258 -1.7258 -1.6444 -1.6444 4.5367 4.5367 4.6536 4.6536 4.7429 4.7429 4.8172 4.8172 5.2434 5.2434 5.3116 5.3116 5.5643 5.5643 5.8378 5.8378 5.8553 5.8553 5.9449 5.9449 6.0148 6.0148 6.0678 6.0678 7.8018 7.8018 7.8293 7.8293 8.3497 8.3497 8.5055 8.5055 9.2125 9.2125 9.3335 9.3335 k = 0.3596 0.5318 0.2997 ( 21562 PWs) bands (ev): -15.0354 -15.0354 -15.0354 -15.0354 -14.4709 -14.4709 -14.4700 -14.4700 -3.9537 -3.9537 -3.8628 -3.8628 -3.5568 -3.5568 -3.4920 -3.4920 -2.6090 -2.6090 -2.5308 -2.5308 -2.4285 -2.4285 -2.3814 -2.3814 -1.9004 -1.9004 -1.8016 -1.8016 -1.7185 -1.7185 -1.6467 -1.6467 4.5344 4.5344 4.6536 4.6536 4.7431 4.7431 4.8179 4.8179 5.2519 5.2519 5.3166 5.3166 5.5557 5.5557 5.8365 5.8365 5.8573 5.8573 5.9447 5.9447 6.0167 6.0167 6.0694 6.0694 7.8105 7.8105 7.8341 7.8341 8.3598 8.3598 8.5099 8.5099 9.1928 9.1928 9.3195 9.3195 k = 0.3509 0.5470 0.2997 ( 21550 PWs) bands (ev): -15.0353 -15.0353 -15.0352 -15.0352 -14.4710 -14.4710 -14.4700 -14.4700 -3.9546 -3.9546 -3.8621 -3.8621 -3.5583 -3.5583 -3.4922 -3.4922 -2.6032 -2.6032 -2.5399 -2.5399 -2.4194 -2.4194 -2.3884 -2.3884 -1.9018 -1.9018 -1.8021 -1.8021 -1.7124 -1.7124 -1.6492 -1.6492 4.5328 4.5328 4.6535 4.6535 4.7433 4.7433 4.8185 4.8185 5.2586 5.2586 5.3202 5.3202 5.5493 5.5493 5.8354 5.8354 5.8587 5.8587 5.9445 5.9445 6.0182 6.0182 6.0706 6.0706 7.8167 7.8167 7.8368 7.8368 8.3695 8.3695 8.5144 8.5144 9.1770 9.1770 9.3084 9.3084 k = 0.3421 0.5622 0.2997 ( 21560 PWs) bands (ev): -15.0352 -15.0352 -15.0352 -15.0352 -14.4710 -14.4710 -14.4701 -14.4701 -3.9551 -3.9551 -3.8616 -3.8616 -3.5593 -3.5593 -3.4924 -3.4924 -2.5986 -2.5986 -2.5464 -2.5464 -2.4116 -2.4116 -2.3950 -2.3950 -1.9028 -1.9028 -1.8023 -1.8023 -1.7083 -1.7083 -1.6511 -1.6511 4.5317 4.5317 4.6534 4.6534 4.7435 4.7435 4.8188 4.8188 5.2630 5.2630 5.3224 5.3224 5.5453 5.5453 5.8347 5.8347 5.8596 5.8596 5.9443 5.9443 6.0191 6.0191 6.0714 6.0714 7.8204 7.8204 7.8382 7.8382 8.3766 8.3766 8.5177 8.5177 9.1666 9.1666 9.3013 9.3013 k = 0.3333 0.5774 0.2997 ( 21576 PWs) bands (ev): -15.0352 -15.0352 -15.0351 -15.0351 -14.4710 -14.4710 -14.4701 -14.4701 -3.9553 -3.9553 -3.8615 -3.8615 -3.5596 -3.5596 -3.4925 -3.4925 -2.5968 -2.5968 -2.5489 -2.5489 -2.4071 -2.4071 -2.3991 -2.3991 -1.9031 -1.9031 -1.8024 -1.8024 -1.7068 -1.7068 -1.6520 -1.6520 4.5314 4.5314 4.6534 4.6534 4.7436 4.7436 4.8189 4.8189 5.2645 5.2645 5.3231 5.3231 5.5439 5.5439 5.8344 5.8344 5.8598 5.8598 5.9442 5.9442 6.0195 6.0195 6.0717 6.0717 7.8217 7.8217 7.8386 7.8386 8.3793 8.3793 8.5190 8.5190 9.1629 9.1629 9.2988 9.2988 k = 0.3333 0.5774 0.2997 ( 21576 PWs) bands (ev): -15.0352 -15.0352 -15.0351 -15.0351 -14.4710 -14.4710 -14.4701 -14.4701 -3.9553 -3.9553 -3.8615 -3.8615 -3.5596 -3.5596 -3.4925 -3.4925 -2.5968 -2.5968 -2.5489 -2.5489 -2.4071 -2.4071 -2.3991 -2.3991 -1.9031 -1.9031 -1.8024 -1.8024 -1.7068 -1.7068 -1.6520 -1.6520 4.5314 4.5314 4.6534 4.6534 4.7436 4.7436 4.8189 4.8189 5.2645 5.2645 5.3231 5.3231 5.5439 5.5439 5.8344 5.8344 5.8598 5.8598 5.9442 5.9442 6.0195 6.0195 6.0717 6.0717 7.8217 7.8217 7.8386 7.8386 8.3793 8.3793 8.5190 8.5190 9.1629 9.1629 9.2988 9.2988 k = 0.3243 0.5617 0.2997 ( 21556 PWs) bands (ev): -15.0352 -15.0352 -15.0352 -15.0352 -14.4710 -14.4710 -14.4701 -14.4701 -3.9551 -3.9551 -3.8617 -3.8617 -3.5592 -3.5592 -3.4924 -3.4924 -2.5987 -2.5987 -2.5463 -2.5463 -2.4113 -2.4113 -2.3954 -2.3954 -1.9027 -1.9027 -1.8023 -1.8023 -1.7085 -1.7085 -1.6510 -1.6510 4.5317 4.5317 4.6534 4.6534 4.7435 4.7435 4.8188 4.8188 5.2628 5.2628 5.3223 5.3223 5.5454 5.5454 5.8347 5.8347 5.8596 5.8596 5.9443 5.9443 6.0191 6.0191 6.0714 6.0714 7.8203 7.8203 7.8381 7.8381 8.3764 8.3764 8.5177 8.5177 9.1668 9.1668 9.3014 9.3014 k = 0.3153 0.5461 0.2997 ( 21548 PWs) bands (ev): -15.0353 -15.0353 -15.0353 -15.0353 -14.4709 -14.4709 -14.4700 -14.4700 -3.9546 -3.9546 -3.8621 -3.8621 -3.5581 -3.5581 -3.4921 -3.4921 -2.6034 -2.6034 -2.5396 -2.5396 -2.4177 -2.4177 -2.3903 -2.3903 -1.9018 -1.9018 -1.8021 -1.8021 -1.7134 -1.7134 -1.6484 -1.6484 4.5329 4.5329 4.6536 4.6536 4.7432 4.7432 4.8185 4.8185 5.2577 5.2577 5.3199 5.3199 5.5497 5.5497 5.8358 5.8358 5.8589 5.8589 5.9446 5.9446 6.0180 6.0180 6.0704 6.0704 7.8158 7.8158 7.8362 7.8362 8.3685 8.3685 8.5141 8.5141 9.1781 9.1781 9.3088 9.3088 k = 0.3063 0.5305 0.2997 ( 21568 PWs) bands (ev): -15.0354 -15.0354 -15.0354 -15.0354 -14.4708 -14.4708 -14.4699 -14.4699 -3.9537 -3.9537 -3.8629 -3.8629 -3.5561 -3.5561 -3.4915 -3.4915 -2.6093 -2.6093 -2.5304 -2.5304 -2.4241 -2.4241 -2.3860 -2.3860 -1.9002 -1.9002 -1.8017 -1.8017 -1.7209 -1.7209 -1.6446 -1.6446 4.5347 4.5347 4.6539 4.6539 4.7426 4.7426 4.8181 4.8181 5.2492 5.2492 5.3158 5.3158 5.5566 5.5566 5.8376 5.8376 5.8578 5.8578 5.9450 5.9450 6.0162 6.0162 6.0688 6.0688 7.8078 7.8078 7.8319 7.8319 8.3572 8.3572 8.5093 8.5093 9.1952 9.1952 9.3198 9.3198 k = 0.2973 0.5149 0.2997 ( 21564 PWs) bands (ev): -15.0356 -15.0356 -15.0356 -15.0356 -14.4707 -14.4707 -14.4698 -14.4698 -3.9526 -3.9526 -3.8640 -3.8640 -3.5532 -3.5532 -3.4905 -3.4905 -2.6155 -2.6155 -2.5196 -2.5196 -2.4305 -2.4305 -2.3827 -2.3827 -1.8981 -1.8981 -1.8011 -1.8011 -1.7304 -1.7304 -1.6402 -1.6402 4.5373 4.5373 4.6543 4.6543 4.7417 4.7417 4.8175 4.8175 5.2376 5.2376 5.3100 5.3100 5.5659 5.5659 5.8403 5.8403 5.8565 5.8565 5.9457 5.9457 6.0137 6.0137 6.0665 6.0665 7.7958 7.7958 7.8241 7.8241 8.3451 8.3451 8.5045 8.5045 9.2161 9.2161 9.3328 9.3328 k = 0.2883 0.4993 0.2997 ( 21566 PWs) bands (ev): -15.0359 -15.0359 -15.0359 -15.0359 -14.4705 -14.4705 -14.4696 -14.4696 -3.9511 -3.9511 -3.8654 -3.8654 -3.5493 -3.5493 -3.4891 -3.4891 -2.6215 -2.6215 -2.5080 -2.5080 -2.4366 -2.4366 -2.3804 -2.3804 -1.8957 -1.8957 -1.8002 -1.8002 -1.7415 -1.7415 -1.6358 -1.6358 4.5406 4.5406 4.6549 4.6549 4.7405 4.7405 4.8169 4.8169 5.2232 5.2232 5.3024 5.3024 5.5770 5.5770 5.8438 5.8438 5.8552 5.8552 5.9465 5.9465 6.0108 6.0108 6.0636 6.0636 7.7796 7.7796 7.8118 7.8118 8.3346 8.3346 8.5011 8.5011 9.2387 9.2387 9.3459 9.3459 k = 0.2793 0.4837 0.2997 ( 21546 PWs) bands (ev): -15.0363 -15.0363 -15.0363 -15.0363 -14.4703 -14.4703 -14.4694 -14.4694 -3.9494 -3.9494 -3.8670 -3.8670 -3.5446 -3.5446 -3.4872 -3.4872 -2.6269 -2.6269 -2.4958 -2.4958 -2.4424 -2.4424 -2.3790 -2.3790 -1.8931 -1.8931 -1.7989 -1.7989 -1.7537 -1.7537 -1.6314 -1.6314 4.5445 4.5445 4.6557 4.6557 4.7390 4.7390 4.8161 4.8161 5.2064 5.2064 5.2930 5.2930 5.5898 5.5898 5.8481 5.8481 5.8538 5.8538 5.9475 5.9475 6.0074 6.0074 6.0601 6.0601 7.7591 7.7591 7.7940 7.7940 8.3276 8.3276 8.4999 8.4999 9.2608 9.2608 9.3573 9.3573 k = 0.2703 0.4681 0.2997 ( 21552 PWs) bands (ev): -15.0367 -15.0367 -15.0367 -15.0367 -14.4700 -14.4700 -14.4691 -14.4691 -3.9475 -3.9475 -3.8689 -3.8689 -3.5389 -3.5389 -3.4848 -3.4848 -2.6318 -2.6318 -2.4832 -2.4832 -2.4481 -2.4481 -2.3786 -2.3786 -1.8904 -1.8904 -1.7971 -1.7971 -1.7668 -1.7668 -1.6275 -1.6275 4.5490 4.5490 4.6566 4.6566 4.7373 4.7373 4.8152 4.8152 5.1876 5.1876 5.2817 5.2817 5.6039 5.6039 5.8526 5.8526 5.8530 5.8530 5.9486 5.9486 6.0039 6.0039 6.0561 6.0561 7.7347 7.7347 7.7709 7.7709 8.3252 8.3252 8.5013 8.5013 9.2809 9.2809 9.3656 9.3656 k = 0.2613 0.4525 0.2997 ( 21544 PWs) bands (ev): -15.0372 -15.0372 -15.0372 -15.0372 -14.4696 -14.4696 -14.4688 -14.4688 -3.9453 -3.9453 -3.8709 -3.8709 -3.5323 -3.5323 -3.4817 -3.4817 -2.6359 -2.6359 -2.4704 -2.4704 -2.4536 -2.4536 -2.3790 -2.3790 -1.8880 -1.8880 -1.7946 -1.7946 -1.7806 -1.7806 -1.6239 -1.6239 4.5539 4.5539 4.6576 4.6576 4.7354 4.7354 4.8141 4.8141 5.1670 5.1670 5.2685 5.2685 5.6191 5.6191 5.8516 5.8516 5.8583 5.8583 5.9499 5.9499 6.0002 6.0002 6.0517 6.0517 7.7071 7.7071 7.7431 7.7431 8.3273 8.3273 8.5053 8.5053 9.2980 9.2980 9.3701 9.3701 k = 0.2523 0.4369 0.2997 ( 21536 PWs) bands (ev): -15.0378 -15.0378 -15.0378 -15.0378 -14.4692 -14.4692 -14.4685 -14.4685 -3.9431 -3.9431 -3.8731 -3.8731 -3.5248 -3.5248 -3.4780 -3.4780 -2.6394 -2.6394 -2.4590 -2.4590 -2.4576 -2.4576 -2.3800 -2.3800 -1.8861 -1.8861 -1.7950 -1.7950 -1.7915 -1.7915 -1.6209 -1.6209 4.5592 4.5592 4.6588 4.6588 4.7334 4.7334 4.8130 4.8130 5.1450 5.1450 5.2534 5.2534 5.6353 5.6353 5.8508 5.8508 5.8638 5.8638 5.9513 5.9513 5.9967 5.9967 6.0469 6.0469 7.6773 7.6773 7.7119 7.7119 8.3332 8.3332 8.5113 8.5113 9.3115 9.3115 9.3700 9.3700 k = 0.2432 0.4213 0.2997 ( 21558 PWs) bands (ev): -15.0385 -15.0385 -15.0385 -15.0385 -14.4688 -14.4688 -14.4681 -14.4681 -3.9407 -3.9407 -3.8755 -3.8755 -3.5164 -3.5164 -3.4736 -3.4736 -2.6421 -2.6421 -2.4642 -2.4642 -2.4448 -2.4448 -2.3816 -2.3816 -1.8847 -1.8847 -1.8097 -1.8097 -1.7875 -1.7875 -1.6184 -1.6184 4.5646 4.5646 4.6600 4.6600 4.7316 4.7316 4.8116 4.8116 5.1220 5.1220 5.2363 5.2363 5.6523 5.6523 5.8503 5.8503 5.8693 5.8693 5.9527 5.9527 5.9933 5.9933 6.0419 6.0419 7.6464 7.6464 7.6788 7.6788 8.3414 8.3414 8.5185 8.5185 9.3210 9.3210 9.3651 9.3651 k = 0.2342 0.4057 0.2997 ( 21554 PWs) bands (ev): -15.0392 -15.0392 -15.0392 -15.0392 -14.4683 -14.4683 -14.4677 -14.4677 -3.9383 -3.9383 -3.8779 -3.8779 -3.5072 -3.5072 -3.4684 -3.4684 -2.6442 -2.6442 -2.4694 -2.4694 -2.4322 -2.4322 -2.3836 -2.3836 -1.8840 -1.8840 -1.8247 -1.8247 -1.7828 -1.7828 -1.6166 -1.6166 4.5700 4.5700 4.6612 4.6612 4.7299 4.7299 4.8100 4.8100 5.0981 5.0981 5.2173 5.2173 5.6702 5.6702 5.8501 5.8501 5.8745 5.8745 5.9542 5.9542 5.9903 5.9903 6.0367 6.0367 7.6156 7.6156 7.6454 7.6454 8.3509 8.3509 8.5260 8.5260 9.3257 9.3257 9.3548 9.3548 k = 0.2252 0.3901 0.2997 ( 21546 PWs) bands (ev): -15.0400 -15.0400 -15.0400 -15.0400 -14.4678 -14.4678 -14.4672 -14.4672 -3.9358 -3.9358 -3.8803 -3.8803 -3.4972 -3.4972 -3.4625 -3.4625 -2.6455 -2.6455 -2.4746 -2.4746 -2.4200 -2.4200 -2.3859 -2.3859 -1.8840 -1.8840 -1.8396 -1.8396 -1.7773 -1.7773 -1.6153 -1.6153 4.5752 4.5752 4.6624 4.6624 4.7286 4.7286 4.8081 4.8081 5.0738 5.0738 5.1965 5.1965 5.6886 5.6886 5.8501 5.8501 5.8792 5.8792 5.9556 5.9556 5.9879 5.9879 6.0315 6.0315 7.5859 7.5859 7.6130 7.6130 8.3605 8.3605 8.5330 8.5330 9.3251 9.3251 9.3384 9.3384 k = 0.2162 0.3745 0.2997 ( 21538 PWs) bands (ev): -15.0409 -15.0409 -15.0409 -15.0409 -14.4672 -14.4672 -14.4667 -14.4667 -3.9334 -3.9334 -3.8828 -3.8828 -3.4866 -3.4866 -3.4558 -3.4558 -2.6461 -2.6461 -2.4799 -2.4799 -2.4082 -2.4082 -2.3884 -2.3884 -1.8847 -1.8847 -1.8544 -1.8544 -1.7713 -1.7713 -1.6147 -1.6147 4.5800 4.5800 4.6635 4.6635 4.7279 4.7279 4.8058 4.8058 5.0494 5.0494 5.1741 5.1741 5.7077 5.7077 5.8503 5.8503 5.8832 5.8832 5.9567 5.9567 5.9863 5.9863 6.0262 6.0262 7.5584 7.5584 7.5828 7.5828 8.3692 8.3692 8.5388 8.5388 9.3151 9.3151 9.3181 9.3181 k = 0.2072 0.3589 0.2997 ( 21526 PWs) bands (ev): -15.0418 -15.0418 -15.0418 -15.0418 -14.4666 -14.4666 -14.4661 -14.4661 -3.9309 -3.9309 -3.8852 -3.8852 -3.4752 -3.4752 -3.4484 -3.4484 -2.6460 -2.6460 -2.4852 -2.4852 -2.3971 -2.3971 -2.3909 -2.3909 -1.8860 -1.8860 -1.8689 -1.8689 -1.7649 -1.7649 -1.6148 -1.6148 4.5840 4.5840 4.6643 4.6643 4.7279 4.7279 4.8028 4.8028 5.0253 5.0253 5.1502 5.1502 5.7273 5.7273 5.8507 5.8507 5.8864 5.8864 5.9571 5.9571 5.9857 5.9857 6.0210 6.0210 7.5340 7.5340 7.5559 7.5559 8.3765 8.3765 8.5429 8.5429 9.2842 9.2842 9.3035 9.3035 k = 0.1982 0.3433 0.2997 ( 21514 PWs) bands (ev): -15.0427 -15.0427 -15.0427 -15.0427 -14.4660 -14.4660 -14.4655 -14.4655 -3.9285 -3.9285 -3.8875 -3.8875 -3.4633 -3.4633 -3.4402 -3.4402 -2.6453 -2.6453 -2.4906 -2.4906 -2.3934 -2.3934 -2.3868 -2.3868 -1.8877 -1.8877 -1.8827 -1.8827 -1.7582 -1.7582 -1.6156 -1.6156 4.5871 4.5871 4.6649 4.6649 4.7288 4.7288 4.7991 4.7991 5.0018 5.0018 5.1251 5.1251 5.7471 5.7471 5.8512 5.8512 5.8889 5.8889 5.9565 5.9565 5.9867 5.9867 6.0159 6.0159 7.5135 7.5135 7.5329 7.5329 8.3820 8.3820 8.5451 8.5451 9.2456 9.2456 9.2805 9.2805 k = 0.1892 0.3277 0.2997 ( 21516 PWs) bands (ev): -15.0437 -15.0437 -15.0437 -15.0437 -14.4654 -14.4654 -14.4649 -14.4649 -3.9262 -3.9262 -3.8897 -3.8897 -3.4510 -3.4510 -3.4313 -3.4313 -2.6440 -2.6440 -2.4961 -2.4961 -2.3958 -2.3958 -2.3775 -2.3775 -1.8957 -1.8957 -1.8898 -1.8898 -1.7516 -1.7516 -1.6171 -1.6171 4.5890 4.5890 4.6649 4.6649 4.7307 4.7307 4.7943 4.7943 4.9796 4.9796 5.0989 5.0989 5.7669 5.7669 5.8519 5.8519 5.8907 5.8907 5.9548 5.9548 5.9891 5.9891 6.0108 6.0108 7.4973 7.4973 7.5145 7.5145 8.3856 8.3856 8.5452 8.5452 9.1998 9.1998 9.2490 9.2490 k = 0.1802 0.3121 0.2997 ( 21504 PWs) bands (ev): -15.0448 -15.0448 -15.0448 -15.0448 -14.4647 -14.4647 -14.4643 -14.4643 -3.9239 -3.9239 -3.8918 -3.8918 -3.4382 -3.4382 -3.4217 -3.4217 -2.6420 -2.6420 -2.5017 -2.5017 -2.3981 -2.3981 -2.3694 -2.3694 -1.9077 -1.9077 -1.8920 -1.8920 -1.7451 -1.7451 -1.6193 -1.6193 4.5897 4.5897 4.6643 4.6643 4.7335 4.7335 4.7883 4.7883 4.9592 4.9592 5.0721 5.0721 5.7863 5.7863 5.8527 5.8527 5.8921 5.8921 5.9520 5.9520 5.9929 5.9929 6.0058 6.0058 7.4859 7.4859 7.5010 7.5010 8.3872 8.3872 8.5433 8.5433 9.1480 9.1480 9.2095 9.2095 k = 0.1712 0.2965 0.2997 ( 21524 PWs) bands (ev): -15.0459 -15.0459 -15.0459 -15.0459 -14.4640 -14.4640 -14.4636 -14.4636 -3.9218 -3.9218 -3.8937 -3.8937 -3.4252 -3.4252 -3.4116 -3.4116 -2.6394 -2.6394 -2.5073 -2.5073 -2.4003 -2.4003 -2.3628 -2.3628 -1.9182 -1.9182 -1.8943 -1.8943 -1.7389 -1.7389 -1.6222 -1.6222 4.5892 4.5892 4.6626 4.6626 4.7372 4.7372 4.7810 4.7810 4.9409 4.9409 5.0450 5.0450 5.8048 5.8048 5.8536 5.8536 5.8937 5.8937 5.9484 5.9484 5.9979 5.9979 6.0011 6.0011 7.4795 7.4795 7.4928 7.4928 8.3870 8.3870 8.5394 8.5394 9.0917 9.0917 9.1635 9.1635 k = 0.1622 0.2809 0.2997 ( 21528 PWs) bands (ev): -15.0470 -15.0470 -15.0470 -15.0470 -14.4633 -14.4633 -14.4630 -14.4630 -3.9197 -3.9197 -3.8954 -3.8954 -3.4120 -3.4120 -3.4010 -3.4010 -2.6363 -2.6363 -2.5129 -2.5129 -2.4024 -2.4024 -2.3578 -2.3578 -1.9272 -1.9272 -1.8964 -1.8964 -1.7332 -1.7332 -1.6258 -1.6258 4.5873 4.5873 4.6596 4.6596 4.7414 4.7414 4.7725 4.7725 4.9254 4.9254 5.0180 5.0180 5.8214 5.8214 5.8546 5.8546 5.8962 5.8962 5.9443 5.9443 5.9967 5.9967 6.0037 6.0037 7.4783 7.4783 7.4899 7.4899 8.3852 8.3852 8.5339 8.5339 9.0325 9.0325 9.1126 9.1126 k = 0.1532 0.2653 0.2997 ( 21532 PWs) bands (ev): -15.0481 -15.0481 -15.0481 -15.0481 -14.4626 -14.4626 -14.4623 -14.4623 -3.9177 -3.9177 -3.8969 -3.8969 -3.3986 -3.3986 -3.3899 -3.3899 -2.6326 -2.6326 -2.5184 -2.5184 -2.4045 -2.4045 -2.3546 -2.3546 -1.9343 -1.9343 -1.8983 -1.8983 -1.7281 -1.7281 -1.6302 -1.6302 4.5842 4.5842 4.6546 4.6546 4.7459 4.7459 4.7633 4.7633 4.9126 4.9126 4.9917 4.9917 5.8349 5.8349 5.8556 5.8556 5.9005 5.9005 5.9396 5.9396 5.9930 5.9930 6.0104 6.0104 7.4823 7.4823 7.4924 7.4924 8.3819 8.3819 8.5267 8.5267 8.9719 8.9719 9.0585 9.0585 k = 0.1441 0.2497 0.2997 ( 21536 PWs) bands (ev): -15.0492 -15.0492 -15.0492 -15.0492 -14.4618 -14.4618 -14.4616 -14.4616 -3.9158 -3.9158 -3.8983 -3.8983 -3.3853 -3.3853 -3.3786 -3.3786 -2.6283 -2.6283 -2.5236 -2.5236 -2.4067 -2.4067 -2.3534 -2.3534 -1.9393 -1.9393 -1.8998 -1.8998 -1.7238 -1.7238 -1.6353 -1.6353 4.5799 4.5799 4.6472 4.6472 4.7501 4.7501 4.7542 4.7542 4.9025 4.9025 4.9665 4.9665 5.8442 5.8442 5.8567 5.8567 5.9072 5.9072 5.9348 5.9348 5.9907 5.9907 6.0176 6.0176 7.4913 7.4913 7.5000 7.5000 8.3775 8.3775 8.5180 8.5180 8.9113 8.9113 9.0027 9.0027 k = 0.1351 0.2341 0.2997 ( 21536 PWs) bands (ev): -15.0503 -15.0503 -15.0503 -15.0503 -14.4611 -14.4611 -14.4610 -14.4610 -3.9141 -3.9141 -3.8994 -3.8994 -3.3721 -3.3721 -3.3671 -3.3671 -2.6236 -2.6236 -2.5286 -2.5286 -2.4090 -2.4090 -2.3543 -2.3543 -1.9421 -1.9421 -1.9007 -1.9007 -1.7204 -1.7204 -1.6412 -1.6412 4.5745 4.5745 4.6370 4.6370 4.7459 4.7459 4.7538 4.7538 4.8946 4.8946 4.9433 4.9433 5.8494 5.8494 5.8576 5.8576 5.9151 5.9151 5.9299 5.9299 5.9907 5.9907 6.0253 6.0253 7.5050 7.5050 7.5125 7.5125 8.3720 8.3720 8.5079 8.5079 8.8520 8.8520 8.9465 8.9465 k = 0.1261 0.2185 0.2997 ( 21540 PWs) bands (ev): -15.0514 -15.0514 -15.0514 -15.0514 -14.4604 -14.4604 -14.4603 -14.4603 -3.9124 -3.9124 -3.9004 -3.9004 -3.3591 -3.3591 -3.3555 -3.3555 -2.6183 -2.6183 -2.5331 -2.5331 -2.4116 -2.4116 -2.3572 -2.3572 -1.9426 -1.9426 -1.9010 -1.9010 -1.7179 -1.7179 -1.6478 -1.6478 4.5680 4.5680 4.6240 4.6240 4.7392 4.7392 4.7563 4.7563 4.8887 4.8887 4.9226 4.9226 5.8518 5.8518 5.8584 5.8584 5.9218 5.9218 5.9252 5.9252 5.9944 5.9944 6.0334 6.0334 7.5231 7.5231 7.5295 7.5295 8.3657 8.3657 8.4961 8.4961 8.7952 8.7952 8.8910 8.8910 k = 0.1171 0.2029 0.2997 ( 21544 PWs) bands (ev): -15.0524 -15.0524 -15.0524 -15.0524 -14.4598 -14.4598 -14.4596 -14.4596 -3.9109 -3.9109 -3.9012 -3.9012 -3.3465 -3.3465 -3.3439 -3.3439 -2.6126 -2.6126 -2.5372 -2.5372 -2.4144 -2.4144 -2.3621 -2.3621 -1.9408 -1.9408 -1.9004 -1.9004 -1.7164 -1.7164 -1.6551 -1.6551 4.5605 4.5605 4.6086 4.6086 4.7340 4.7340 4.7571 4.7571 4.8843 4.8843 4.9052 4.9052 5.8525 5.8525 5.8589 5.8589 5.9208 5.9208 5.9257 5.9257 6.0024 6.0024 6.0418 6.0418 7.5451 7.5451 7.5506 7.5506 8.3588 8.3588 8.4826 8.4826 8.7419 8.7419 8.8371 8.8371 k = 0.1081 0.1872 0.2997 ( 21548 PWs) bands (ev): -15.0534 -15.0534 -15.0534 -15.0534 -14.4591 -14.4591 -14.4590 -14.4590 -3.9095 -3.9095 -3.9017 -3.9017 -3.3342 -3.3342 -3.3325 -3.3325 -2.6065 -2.6065 -2.5407 -2.5407 -2.4177 -2.4177 -2.3688 -2.3688 -1.9370 -1.9370 -1.8989 -1.8989 -1.7160 -1.7160 -1.6632 -1.6632 4.5519 4.5519 4.5917 4.5917 4.7301 4.7301 4.7558 4.7558 4.8810 4.8810 4.8917 4.8917 5.8523 5.8523 5.8590 5.8590 5.9172 5.9172 5.9265 5.9265 6.0138 6.0138 6.0503 6.0503 7.5704 7.5704 7.5753 7.5753 8.3513 8.3513 8.4670 8.4670 8.6932 8.6932 8.7855 8.7855 k = 0.0991 0.1716 0.2997 ( 21552 PWs) bands (ev): -15.0544 -15.0544 -15.0544 -15.0544 -14.4585 -14.4585 -14.4584 -14.4584 -3.9082 -3.9082 -3.9022 -3.9022 -3.3225 -3.3225 -3.3215 -3.3215 -2.5999 -2.5999 -2.5435 -2.5435 -2.4214 -2.4214 -2.3771 -2.3771 -1.9311 -1.9311 -1.8965 -1.8965 -1.7168 -1.7168 -1.6719 -1.6719 4.5423 4.5423 4.5739 4.5739 4.7272 4.7272 4.7525 4.7525 4.8787 4.8787 4.8822 4.8822 5.8517 5.8517 5.8585 5.8585 5.9144 5.9144 5.9254 5.9254 6.0273 6.0273 6.0588 6.0588 7.5986 7.5986 7.6029 7.6029 8.3434 8.3434 8.4489 8.4489 8.6502 8.6502 8.7368 8.7368 k = 0.0901 0.1560 0.2997 ( 21548 PWs) bands (ev): -15.0554 -15.0554 -15.0554 -15.0554 -14.4579 -14.4579 -14.4578 -14.4578 -3.9070 -3.9070 -3.9024 -3.9024 -3.3114 -3.3114 -3.3108 -3.3108 -2.5929 -2.5929 -2.5456 -2.5456 -2.4257 -2.4257 -2.3867 -2.3867 -1.9235 -1.9235 -1.8929 -1.8929 -1.7187 -1.7187 -1.6813 -1.6813 4.5319 4.5319 4.5560 4.5560 4.7250 4.7250 4.7476 4.7476 4.8762 4.8762 4.8770 4.8770 5.8509 5.8509 5.8573 5.8573 5.9125 5.9125 5.9234 5.9234 6.0415 6.0415 6.0673 6.0673 7.6289 7.6289 7.6326 7.6326 8.3353 8.3353 8.4283 8.4283 8.6135 8.6135 8.6914 8.6914 k = 0.0811 0.1404 0.2997 ( 21552 PWs) bands (ev): -15.0562 -15.0562 -15.0562 -15.0562 -14.4574 -14.4574 -14.4573 -14.4573 -3.9060 -3.9060 -3.9026 -3.9026 -3.3010 -3.3010 -3.3007 -3.3007 -2.5856 -2.5856 -2.5468 -2.5468 -2.4304 -2.4304 -2.3973 -2.3973 -1.9145 -1.9145 -1.8884 -1.8884 -1.7218 -1.7218 -1.6912 -1.6912 4.5210 4.5210 4.5385 4.5385 4.7233 4.7233 4.7418 4.7418 4.8731 4.8731 4.8759 4.8759 5.8499 5.8499 5.8557 5.8557 5.9116 5.9116 5.9213 5.9213 6.0555 6.0555 6.0756 6.0756 7.6605 7.6605 7.6638 7.6638 8.3270 8.3270 8.4056 8.4056 8.5831 8.5831 8.6499 8.6499 k = 0.0721 0.1248 0.2997 ( 21548 PWs) bands (ev): -15.0570 -15.0570 -15.0570 -15.0570 -14.4569 -14.4569 -14.4568 -14.4568 -3.9050 -3.9050 -3.9026 -3.9026 -3.2915 -3.2915 -3.2914 -3.2914 -2.5781 -2.5781 -2.5471 -2.5471 -2.4358 -2.4358 -2.4085 -2.4085 -1.9042 -1.9042 -1.8827 -1.8827 -1.7260 -1.7260 -1.7018 -1.7018 4.5098 4.5098 4.5220 4.5220 4.7218 4.7218 4.7359 4.7359 4.8720 4.8720 4.8752 4.8752 5.8489 5.8489 5.8536 5.8536 5.9115 5.9115 5.9193 5.9193 6.0686 6.0686 6.0836 6.0836 7.6927 7.6927 7.6955 7.6955 8.3189 8.3189 8.3818 8.3818 8.5583 8.5583 8.6123 8.6123 k = 0.0631 0.1092 0.2997 ( 21560 PWs) bands (ev): -15.0577 -15.0577 -15.0577 -15.0577 -14.4564 -14.4564 -14.4564 -14.4564 -3.9042 -3.9042 -3.9026 -3.9026 -3.2828 -3.2828 -3.2828 -3.2828 -2.5703 -2.5703 -2.5465 -2.5465 -2.4416 -2.4416 -2.4202 -2.4202 -1.8930 -1.8930 -1.8760 -1.8760 -1.7314 -1.7314 -1.7128 -1.7128 4.4986 4.4986 4.5067 4.5067 4.7204 4.7204 4.7304 4.7304 4.8720 4.8720 4.8749 4.8749 5.8477 5.8477 5.8513 5.8513 5.9120 5.9120 5.9178 5.9178 6.0806 6.0806 6.0911 6.0911 7.7244 7.7244 7.7268 7.7268 8.3111 8.3111 8.3585 8.3585 8.5381 8.5381 8.5790 8.5790 k = 0.0541 0.0936 0.2997 ( 21554 PWs) bands (ev): -15.0584 -15.0584 -15.0584 -15.0584 -14.4560 -14.4560 -14.4560 -14.4560 -3.9035 -3.9035 -3.9025 -3.9025 -3.2751 -3.2751 -3.2751 -3.2751 -2.5623 -2.5623 -2.5450 -2.5450 -2.4478 -2.4478 -2.4319 -2.4319 -1.8811 -1.8811 -1.8684 -1.8684 -1.7379 -1.7379 -1.7242 -1.7242 4.4880 4.4880 4.4930 4.4930 4.7191 4.7191 4.7257 4.7257 4.8727 4.8727 4.8749 4.8749 5.8466 5.8466 5.8490 5.8490 5.9128 5.9128 5.9168 5.9168 6.0912 6.0912 6.0981 6.0981 7.7548 7.7548 7.7567 7.7567 8.3038 8.3038 8.3370 8.3370 8.5214 8.5214 8.5500 8.5500 k = 0.0450 0.0780 0.2997 ( 21564 PWs) bands (ev): -15.0589 -15.0589 -15.0589 -15.0589 -14.4557 -14.4557 -14.4556 -14.4556 -3.9029 -3.9029 -3.9023 -3.9023 -3.2685 -3.2685 -3.2684 -3.2684 -2.5544 -2.5544 -2.5426 -2.5426 -2.4544 -2.4544 -2.4434 -2.4434 -1.8688 -1.8688 -1.8598 -1.8598 -1.7453 -1.7453 -1.7359 -1.7359 4.4782 4.4782 4.4811 4.4811 4.7179 4.7179 4.7218 4.7218 4.8737 4.8737 4.8751 4.8751 5.8453 5.8453 5.8468 5.8468 5.9138 5.9138 5.9163 5.9163 6.1003 6.1003 6.1044 6.1044 7.7828 7.7828 7.7841 7.7841 8.2973 8.2973 8.3185 8.3185 8.5072 8.5072 8.5255 8.5255 k = 0.0360 0.0624 0.2997 ( 21558 PWs) bands (ev): -15.0594 -15.0594 -15.0594 -15.0594 -14.4554 -14.4554 -14.4554 -14.4554 -3.9025 -3.9025 -3.9022 -3.9022 -3.2629 -3.2629 -3.2629 -3.2629 -2.5465 -2.5465 -2.5394 -2.5394 -2.4612 -2.4612 -2.4544 -2.4544 -1.8563 -1.8563 -1.8506 -1.8506 -1.7536 -1.7536 -1.7476 -1.7476 4.4697 4.4697 4.4712 4.4712 4.7168 4.7168 4.7188 4.7188 4.8747 4.8747 4.8755 4.8755 5.8442 5.8442 5.8450 5.8450 5.9148 5.9148 5.9161 5.9161 6.1076 6.1076 6.1098 6.1098 7.8073 7.8073 7.8081 7.8081 8.2918 8.2918 8.3037 8.3037 8.4953 8.4953 8.5055 8.5055 k = 0.0270 0.0468 0.2997 ( 21558 PWs) bands (ev): -15.0597 -15.0597 -15.0597 -15.0597 -14.4551 -14.4551 -14.4551 -14.4551 -3.9021 -3.9021 -3.9020 -3.9020 -3.2585 -3.2585 -3.2585 -3.2585 -2.5392 -2.5392 -2.5355 -2.5355 -2.4678 -2.4678 -2.4643 -2.4643 -1.8441 -1.8441 -1.8410 -1.8410 -1.7624 -1.7624 -1.7592 -1.7592 4.4627 4.4627 4.4633 4.4633 4.7158 4.7158 4.7167 4.7167 4.8755 4.8755 4.8758 4.8758 5.8431 5.8431 5.8435 5.8435 5.9157 5.9157 5.9163 5.9163 6.1133 6.1133 6.1142 6.1142 7.8274 7.8274 7.8278 7.8278 8.2874 8.2874 8.2928 8.2928 8.4853 8.4853 8.4900 8.4900 k = 0.0180 0.0312 0.2997 ( 21542 PWs) bands (ev): -15.0600 -15.0600 -15.0600 -15.0600 -14.4550 -14.4550 -14.4550 -14.4550 -3.9019 -3.9019 -3.9019 -3.9019 -3.2553 -3.2553 -3.2553 -3.2553 -2.5329 -2.5329 -2.5315 -2.5315 -2.4739 -2.4739 -2.4726 -2.4726 -1.8327 -1.8327 -1.8315 -1.8315 -1.7714 -1.7714 -1.7701 -1.7701 4.4575 4.4575 4.4577 4.4577 4.7150 4.7150 4.7153 4.7153 4.8761 4.8761 4.8762 4.8762 5.8423 5.8423 5.8424 5.8424 5.9163 5.9163 5.9165 5.9165 6.1173 6.1173 6.1176 6.1176 7.8422 7.8422 7.8424 7.8424 8.2841 8.2841 8.2858 8.2858 8.4776 8.4776 8.4791 8.4791 k = 0.0090 0.0156 0.2997 ( 21542 PWs) bands (ev): -15.0602 -15.0602 -15.0602 -15.0602 -14.4549 -14.4549 -14.4549 -14.4549 -3.9018 -3.9018 -3.9018 -3.9018 -3.2534 -3.2534 -3.2534 -3.2534 -2.5284 -2.5284 -2.5282 -2.5282 -2.4785 -2.4785 -2.4783 -2.4783 -1.8235 -1.8235 -1.8233 -1.8233 -1.7792 -1.7792 -1.7790 -1.7790 4.4543 4.4543 4.4543 4.4543 4.7145 4.7145 4.7145 4.7145 4.8764 4.8764 4.8764 4.8764 5.8418 5.8418 5.8418 5.8418 5.9167 5.9167 5.9167 5.9167 6.1196 6.1196 6.1197 6.1197 7.8514 7.8514 7.8514 7.8514 8.2819 8.2819 8.2821 8.2821 8.4725 8.4725 8.4727 8.4727 k = 0.0000 0.0000 0.2997 ( 21530 PWs) bands (ev): -15.0602 -15.0602 -15.0602 -15.0602 -14.4548 -14.4548 -14.4548 -14.4548 -3.9017 -3.9017 -3.9017 -3.9017 -3.2528 -3.2528 -3.2528 -3.2528 -2.5267 -2.5267 -2.5267 -2.5267 -2.4803 -2.4803 -2.4803 -2.4803 -1.8196 -1.8196 -1.8196 -1.8196 -1.7828 -1.7828 -1.7828 -1.7828 4.4532 4.4532 4.4532 4.4532 4.7143 4.7143 4.7143 4.7143 4.8765 4.8765 4.8765 4.8765 5.8416 5.8416 5.8416 5.8416 5.9168 5.9168 5.9168 5.9168 6.1204 6.1204 6.1204 6.1204 7.8544 7.8544 7.8544 7.8544 8.2810 8.2810 8.2810 8.2810 8.4707 8.4707 8.4707 8.4707 k = 0.5000 0.2887 0.2997 ( 21560 PWs) bands (ev): -15.0379 -15.0379 -15.0379 -15.0379 -14.4688 -14.4688 -14.4688 -14.4688 -3.9057 -3.9057 -3.9057 -3.9057 -3.5050 -3.5050 -3.5050 -3.5050 -2.6064 -2.6064 -2.6064 -2.6064 -2.3458 -2.3458 -2.3458 -2.3458 -1.8514 -1.8514 -1.8514 -1.8514 -1.7096 -1.7096 -1.7096 -1.7096 4.6136 4.6136 4.6136 4.6136 4.7728 4.7728 4.7728 4.7728 5.1702 5.1702 5.1702 5.1702 5.7689 5.7689 5.7689 5.7689 5.8839 5.8839 5.8839 5.8839 6.0258 6.0258 6.0258 6.0258 7.5826 7.5826 7.5826 7.5826 8.5484 8.5484 8.5484 8.5484 9.7557 9.7557 9.7557 9.7557 k = 0.5000 0.2887 0.2820 ( 21568 PWs) bands (ev): -15.0391 -15.0391 -15.0368 -15.0368 -14.4692 -14.4692 -14.4685 -14.4685 -3.9109 -3.9109 -3.9006 -3.9006 -3.5147 -3.5147 -3.4951 -3.4951 -2.6136 -2.6136 -2.5991 -2.5991 -2.3552 -2.3552 -2.3357 -2.3357 -1.8627 -1.8627 -1.8418 -1.8418 -1.7220 -1.7220 -1.6965 -1.6965 4.6090 4.6090 4.6180 4.6180 4.7707 4.7707 4.7748 4.7748 5.1533 5.1533 5.1869 5.1869 5.7631 5.7631 5.7747 5.7747 5.8799 5.8799 5.8879 5.8879 6.0217 6.0217 6.0293 6.0293 7.5733 7.5733 7.5947 7.5947 8.4938 8.4938 8.6069 8.6069 9.7214 9.7214 9.7724 9.7724 k = 0.5000 0.2887 0.2644 ( 21566 PWs) bands (ev): -15.0402 -15.0402 -15.0357 -15.0357 -14.4696 -14.4696 -14.4681 -14.4681 -3.9163 -3.9163 -3.8958 -3.8958 -3.5240 -3.5240 -3.4850 -3.4850 -2.6207 -2.6207 -2.5918 -2.5918 -2.3636 -2.3636 -2.3250 -2.3250 -1.8752 -1.8752 -1.8346 -1.8346 -1.7328 -1.7328 -1.6831 -1.6831 4.6044 4.6044 4.6224 4.6224 4.7685 4.7685 4.7765 4.7765 5.1362 5.1362 5.2031 5.2031 5.7571 5.7571 5.7803 5.7803 5.8759 5.8759 5.8919 5.8919 6.0171 6.0171 6.0322 6.0322 7.5672 7.5672 7.6091 7.6091 8.4442 8.4442 8.6684 8.6684 9.6776 9.6776 9.7612 9.7612 k = 0.5000 0.2887 0.2468 ( 21562 PWs) bands (ev): -15.0413 -15.0413 -15.0346 -15.0346 -14.4699 -14.4699 -14.4677 -14.4677 -3.9216 -3.9216 -3.8911 -3.8911 -3.5329 -3.5329 -3.4748 -3.4748 -2.6275 -2.6275 -2.5846 -2.5846 -2.3708 -2.3708 -2.3138 -2.3138 -1.8885 -1.8885 -1.8309 -1.8309 -1.7410 -1.7410 -1.6699 -1.6699 4.5998 4.5998 4.6266 4.6266 4.7660 4.7660 4.7781 4.7781 5.1193 5.1193 5.2187 5.2187 5.7512 5.7512 5.7857 5.7857 5.8719 5.8719 5.8958 5.8958 6.0121 6.0121 6.0344 6.0344 7.5645 7.5645 7.6247 7.6247 8.4009 8.4009 8.7320 8.7320 9.6283 9.6283 9.7325 9.7325 k = 0.5000 0.2887 0.2291 ( 21558 PWs) bands (ev): -15.0423 -15.0423 -15.0335 -15.0335 -14.4703 -14.4703 -14.4674 -14.4674 -3.9270 -3.9270 -3.8868 -3.8868 -3.5413 -3.5413 -3.4646 -3.4646 -2.6340 -2.6340 -2.5779 -2.5779 -2.3767 -2.3767 -2.3023 -2.3023 -1.9024 -1.9024 -1.8318 -1.8318 -1.7452 -1.7452 -1.6570 -1.6570 4.5952 4.5952 4.6306 4.6306 4.7635 4.7635 4.7795 4.7795 5.1027 5.1027 5.2334 5.2334 5.7453 5.7453 5.7909 5.7909 5.8680 5.8680 5.8996 5.8996 6.0068 6.0068 6.0361 6.0361 7.5651 7.5651 7.6405 7.6405 8.3653 8.3653 8.7967 8.7967 9.5758 9.5758 9.6998 9.6998 k = 0.5000 0.2887 0.2115 ( 21534 PWs) bands (ev): -15.0434 -15.0434 -15.0325 -15.0325 -14.4706 -14.4706 -14.4670 -14.4670 -3.9322 -3.9322 -3.8827 -3.8827 -3.5492 -3.5492 -3.4545 -3.4545 -2.6401 -2.6401 -2.5717 -2.5717 -2.3811 -2.3811 -2.2906 -2.2906 -1.9167 -1.9167 -1.8374 -1.8374 -1.7454 -1.7454 -1.6447 -1.6447 4.5907 4.5907 4.6345 4.6345 4.7608 4.7608 4.7808 4.7808 5.0866 5.0866 5.2472 5.2472 5.7394 5.7394 5.7959 5.7959 5.8642 5.8642 5.9034 5.9034 6.0013 6.0013 6.0371 6.0371 7.5689 7.5689 7.6551 7.6551 8.3388 8.3388 8.8617 8.8617 9.5215 9.5215 9.6674 9.6674 k = 0.5000 0.2887 0.1939 ( 21536 PWs) bands (ev): -15.0443 -15.0443 -15.0315 -15.0315 -14.4710 -14.4710 -14.4667 -14.4667 -3.9374 -3.9374 -3.8790 -3.8790 -3.5565 -3.5565 -3.4447 -3.4447 -2.6459 -2.6459 -2.5663 -2.5663 -2.3836 -2.3836 -2.2789 -2.2789 -1.9314 -1.9314 -1.8468 -1.8468 -1.7425 -1.7425 -1.6329 -1.6329 4.5862 4.5862 4.6381 4.6381 4.7581 4.7581 4.7819 4.7819 5.0713 5.0713 5.2599 5.2599 5.7337 5.7337 5.8005 5.8005 5.8604 5.8604 5.9072 5.9072 5.9958 5.9958 6.0376 6.0376 7.5754 7.5754 7.6671 7.6671 8.3229 8.3229 8.9260 8.9260 9.4663 9.4663 9.6366 9.6366 k = 0.5000 0.2887 0.1763 ( 21528 PWs) bands (ev): -15.0453 -15.0453 -15.0305 -15.0305 -14.4713 -14.4713 -14.4664 -14.4664 -3.9423 -3.9423 -3.8756 -3.8756 -3.5632 -3.5632 -3.4352 -3.4352 -2.6514 -2.6514 -2.5618 -2.5618 -2.3844 -2.3844 -2.2670 -2.2670 -1.9462 -1.9462 -1.8585 -1.8585 -1.7378 -1.7378 -1.6219 -1.6219 4.5819 4.5819 4.6415 4.6415 4.7554 4.7554 4.7828 4.7828 5.0568 5.0568 5.2715 5.2715 5.7282 5.7282 5.8049 5.8049 5.8567 5.8567 5.9108 5.9108 5.9904 5.9904 6.0376 6.0376 7.5840 7.5840 7.6757 7.6757 8.3185 8.3185 8.9884 8.9884 9.4109 9.4109 9.6078 9.6078 k = 0.5000 0.2887 0.1586 ( 21514 PWs) bands (ev): -15.0461 -15.0461 -15.0297 -15.0297 -14.4716 -14.4716 -14.4661 -14.4661 -3.9470 -3.9470 -3.8726 -3.8726 -3.5692 -3.5692 -3.4262 -3.4262 -2.6565 -2.6565 -2.5583 -2.5583 -2.3833 -2.3833 -2.2553 -2.2553 -1.9609 -1.9609 -1.8712 -1.8712 -1.7323 -1.7323 -1.6118 -1.6118 4.5778 4.5778 4.6447 4.6447 4.7526 4.7526 4.7836 4.7836 5.0434 5.0434 5.2819 5.2819 5.7229 5.7229 5.8090 5.8090 5.8532 5.8532 5.9144 5.9144 5.9851 5.9851 6.0373 6.0373 7.5939 7.5939 7.6806 7.6806 8.3260 8.3260 9.0474 9.0474 9.3565 9.3565 9.5815 9.5815 k = 0.5000 0.2887 0.1410 ( 21516 PWs) bands (ev): -15.0469 -15.0469 -15.0289 -15.0289 -14.4719 -14.4719 -14.4659 -14.4659 -3.9513 -3.9513 -3.8700 -3.8700 -3.5745 -3.5745 -3.4177 -3.4177 -2.6612 -2.6612 -2.5557 -2.5557 -2.3806 -2.3806 -2.2438 -2.2438 -1.9756 -1.9756 -1.8843 -1.8843 -1.7266 -1.7266 -1.6025 -1.6025 4.5739 4.5739 4.6476 4.6476 4.7499 4.7499 4.7843 4.7843 5.0311 5.0311 5.2910 5.2910 5.7180 5.7180 5.8128 5.8128 5.8499 5.8499 5.9179 5.9179 5.9800 5.9800 6.0368 6.0368 7.6039 7.6039 7.6826 7.6826 8.3450 8.3450 9.0997 9.0997 9.3054 9.3054 9.5576 9.5576 k = 0.5000 0.2887 0.1234 ( 21540 PWs) bands (ev): -15.0476 -15.0476 -15.0281 -15.0281 -14.4721 -14.4721 -14.4656 -14.4656 -3.9553 -3.9553 -3.8677 -3.8677 -3.5792 -3.5792 -3.4099 -3.4099 -2.6656 -2.6656 -2.5540 -2.5540 -2.3766 -2.3766 -2.2325 -2.2325 -1.9899 -1.9899 -1.8972 -1.8972 -1.7212 -1.7212 -1.5942 -1.5942 4.5703 4.5703 4.6502 4.6502 4.7473 4.7473 4.7849 4.7849 5.0200 5.0200 5.2990 5.2990 5.7135 5.7135 5.8161 5.8161 5.8469 5.8469 5.9212 5.9212 5.9752 5.9752 6.0361 6.0361 7.6124 7.6124 7.6833 7.6833 8.3742 8.3742 9.1354 9.1354 9.2668 9.2668 9.5364 9.5364 k = 0.5000 0.2887 0.1058 ( 21534 PWs) bands (ev): -15.0483 -15.0483 -15.0275 -15.0275 -14.4723 -14.4723 -14.4654 -14.4654 -3.9589 -3.9589 -3.8657 -3.8657 -3.5833 -3.5833 -3.4029 -3.4029 -2.6694 -2.6694 -2.5530 -2.5530 -2.3715 -2.3715 -2.2217 -2.2217 -2.0036 -2.0036 -1.9094 -1.9094 -1.7162 -1.7162 -1.5869 -1.5869 4.5671 4.5671 4.6525 4.6525 4.7449 4.7449 4.7854 4.7854 5.0103 5.0103 5.3057 5.3057 5.7094 5.7094 5.8191 5.8191 5.8441 5.8441 5.9245 5.9245 5.9707 5.9707 6.0353 6.0353 7.6174 7.6174 7.6852 7.6852 8.4119 8.4119 9.1302 9.1302 9.2641 9.2641 9.5178 9.5178 k = 0.5000 0.2887 0.0881 ( 21544 PWs) bands (ev): -15.0488 -15.0488 -15.0269 -15.0269 -14.4725 -14.4725 -14.4653 -14.4653 -3.9620 -3.9620 -3.8641 -3.8641 -3.5867 -3.5867 -3.3968 -3.3968 -2.6729 -2.6729 -2.5524 -2.5524 -2.3661 -2.3661 -2.2115 -2.2115 -2.0164 -2.0164 -1.9206 -1.9206 -1.7118 -1.7118 -1.5806 -1.5806 4.5642 4.5642 4.6545 4.6545 4.7428 4.7428 4.7857 4.7857 5.0021 5.0021 5.3113 5.3113 5.7059 5.7059 5.8217 5.8217 5.8417 5.8417 5.9277 5.9277 5.9664 5.9664 6.0345 6.0345 7.6182 7.6182 7.6897 7.6897 8.4561 8.4561 9.0890 9.0890 9.2916 9.2916 9.5019 9.5019 k = 0.5000 0.2887 0.0705 ( 21568 PWs) bands (ev): -15.0492 -15.0492 -15.0265 -15.0265 -14.4727 -14.4727 -14.4651 -14.4651 -3.9646 -3.9646 -3.8628 -3.8628 -3.5894 -3.5894 -3.3917 -3.3917 -2.6758 -2.6758 -2.5522 -2.5522 -2.3606 -2.3606 -2.2022 -2.2022 -2.0281 -2.0281 -1.9304 -1.9304 -1.7082 -1.7082 -1.5754 -1.5754 4.5618 4.5618 4.6561 4.6561 4.7409 4.7409 4.7860 4.7860 4.9952 4.9952 5.3158 5.3158 5.7029 5.7029 5.8239 5.8239 5.8396 5.8396 5.9307 5.9307 5.9625 5.9625 6.0338 6.0338 7.6157 7.6157 7.6963 7.6963 8.5048 8.5048 9.0369 9.0369 9.3239 9.3239 9.4887 9.4887 k = 0.5000 0.2887 0.0529 ( 21548 PWs) bands (ev): -15.0496 -15.0496 -15.0261 -15.0261 -14.4728 -14.4728 -14.4650 -14.4650 -3.9667 -3.9667 -3.8618 -3.8618 -3.5916 -3.5916 -3.3876 -3.3876 -2.6781 -2.6781 -2.5522 -2.5522 -2.3558 -2.3558 -2.1942 -2.1942 -2.0382 -2.0382 -1.9385 -1.9385 -1.7052 -1.7052 -1.5714 -1.5714 4.5599 4.5599 4.6574 4.6574 4.7394 4.7394 4.7863 4.7863 4.9899 4.9899 5.3192 5.3192 5.7005 5.7005 5.8257 5.8257 5.8379 5.8379 5.9336 5.9336 5.9590 5.9590 6.0332 6.0332 7.6117 7.6117 7.7034 7.7034 8.5555 8.5555 8.9829 8.9829 9.3523 9.3523 9.4780 9.4780 k = 0.5000 0.2887 0.0353 ( 21542 PWs) bands (ev): -15.0499 -15.0499 -15.0258 -15.0258 -14.4729 -14.4729 -14.4649 -14.4649 -3.9682 -3.9682 -3.8611 -3.8611 -3.5931 -3.5931 -3.3846 -3.3846 -2.6798 -2.6798 -2.5522 -2.5522 -2.3519 -2.3519 -2.1878 -2.1878 -2.0460 -2.0460 -1.9445 -1.9445 -1.7031 -1.7031 -1.5685 -1.5685 4.5585 4.5585 4.6583 4.6583 4.7382 4.7382 4.7864 4.7864 4.9861 4.9861 5.3216 5.3216 5.6988 5.6988 5.8269 5.8269 5.8367 5.8367 5.9362 5.9362 5.9560 5.9560 6.0327 6.0327 7.6079 7.6079 7.7093 7.7093 8.6046 8.6046 8.9314 8.9314 9.3741 9.3741 9.4700 9.4700 k = 0.5000 0.2887 0.0176 ( 21548 PWs) bands (ev): -15.0500 -15.0500 -15.0257 -15.0257 -14.4729 -14.4729 -14.4649 -14.4649 -3.9691 -3.9691 -3.8607 -3.8607 -3.5940 -3.5940 -3.3828 -3.3828 -2.6808 -2.6808 -2.5523 -2.5523 -2.3494 -2.3494 -2.1837 -2.1837 -2.0511 -2.0511 -1.9483 -1.9483 -1.7019 -1.7019 -1.5667 -1.5667 4.5577 4.5577 4.6589 4.6589 4.7375 4.7375 4.7865 4.7865 4.9838 4.9838 5.3231 5.3231 5.6978 5.6978 5.8277 5.8277 5.8359 5.8359 5.9381 5.9381 5.9537 5.9537 6.0325 6.0325 7.6053 7.6053 7.7133 7.7133 8.6452 8.6452 8.8896 8.8896 9.3880 9.3880 9.4648 9.4648 k = 0.5000 0.2887-0.0000 ( 21538 PWs) bands (ev): -15.0501 -15.0501 -15.0256 -15.0256 -14.4729 -14.4729 -14.4649 -14.4649 -3.9694 -3.9694 -3.8606 -3.8606 -3.5943 -3.5943 -3.3822 -3.3822 -2.6812 -2.6812 -2.5523 -2.5523 -2.3485 -2.3485 -2.1822 -2.1822 -2.0528 -2.0528 -1.9495 -1.9495 -1.7014 -1.7014 -1.5661 -1.5661 4.5574 4.5574 4.6591 4.6591 4.7373 4.7373 4.7866 4.7866 4.9830 4.9830 5.3235 5.3235 5.6974 5.6974 5.8280 5.8280 5.8357 5.8357 5.9389 5.9389 5.9528 5.9528 6.0324 6.0324 7.6044 7.6044 7.7147 7.7147 8.6626 8.6626 8.8719 8.8719 9.3928 9.3928 9.4629 9.4629 k = 0.3333 0.5774-0.0000 ( 21561 PWs) bands (ev): -15.0452 -15.0452 -15.0251 -15.0251 -14.4710 -14.4710 -14.4701 -14.4701 -3.9650 -3.9650 -3.8636 -3.8636 -3.5452 -3.5452 -3.5034 -3.5034 -2.6865 -2.6865 -2.5162 -2.5162 -2.4298 -2.4298 -2.2469 -2.2469 -1.8867 -1.8867 -1.8469 -1.8469 -1.6995 -1.6995 -1.6887 -1.6887 4.5233 4.5233 4.6430 4.6430 4.7229 4.7229 4.8115 4.8115 5.2043 5.2043 5.2768 5.2768 5.5425 5.5425 5.7998 5.7998 5.8785 5.8785 5.9481 5.9481 6.0422 6.0422 6.0547 6.0547 8.1087 8.1087 8.1951 8.1951 8.4549 8.4549 8.4837 8.4837 8.5376 8.5376 9.6666 9.6666 k = 0.3333 0.5774 0.0176 ( 21576 PWs) bands (ev): -15.0451 -15.0451 -15.0251 -15.0251 -14.4710 -14.4710 -14.4701 -14.4701 -3.9649 -3.9649 -3.8636 -3.8636 -3.5453 -3.5453 -3.5033 -3.5033 -2.6858 -2.6858 -2.5172 -2.5172 -2.4292 -2.4292 -2.2479 -2.2479 -1.8870 -1.8870 -1.8463 -1.8463 -1.6996 -1.6996 -1.6884 -1.6884 4.5234 4.5234 4.6431 4.6431 4.7231 4.7231 4.8115 4.8115 5.2048 5.2048 5.2772 5.2772 5.5425 5.5425 5.8001 5.8001 5.8784 5.8784 5.9480 5.9480 6.0420 6.0420 6.0549 6.0549 8.1069 8.1069 8.1914 8.1914 8.4530 8.4530 8.4839 8.4839 8.5402 8.5402 9.6660 9.6660 k = 0.3333 0.5774 0.0353 ( 21606 PWs) bands (ev): -15.0450 -15.0450 -15.0252 -15.0252 -14.4710 -14.4710 -14.4701 -14.4701 -3.9646 -3.9646 -3.8637 -3.8637 -3.5457 -3.5457 -3.5030 -3.5030 -2.6834 -2.6834 -2.5203 -2.5203 -2.4274 -2.4274 -2.2509 -2.2509 -1.8881 -1.8881 -1.8446 -1.8446 -1.6997 -1.6997 -1.6873 -1.6873 4.5236 4.5236 4.6434 4.6434 4.7236 4.7236 4.8117 4.8117 5.2062 5.2062 5.2782 5.2782 5.5426 5.5426 5.8009 5.8009 5.8780 5.8780 5.9479 5.9479 6.0415 6.0415 6.0553 6.0553 8.1014 8.1014 8.1804 8.1804 8.4478 8.4478 8.4847 8.4847 8.5481 8.5481 9.6641 9.6641 k = 0.3333 0.5774 0.0529 ( 21588 PWs) bands (ev): -15.0448 -15.0448 -15.0254 -15.0254 -14.4710 -14.4710 -14.4701 -14.4701 -3.9641 -3.9641 -3.8637 -3.8637 -3.5463 -3.5463 -3.5025 -3.5025 -2.6795 -2.6795 -2.5250 -2.5250 -2.4247 -2.4247 -2.2559 -2.2559 -1.8897 -1.8897 -1.8419 -1.8419 -1.7000 -1.7000 -1.6857 -1.6857 4.5239 4.5239 4.6438 4.6438 4.7245 4.7245 4.8121 4.8121 5.2084 5.2084 5.2800 5.2800 5.5426 5.5426 5.8023 5.8023 5.8773 5.8773 5.9477 5.9477 6.0406 6.0406 6.0559 6.0559 8.0921 8.0921 8.1629 8.1629 8.4399 8.4399 8.4859 8.4859 8.5613 8.5613 9.6609 9.6609 k = 0.3333 0.5774 0.0705 ( 21570 PWs) bands (ev): -15.0445 -15.0445 -15.0257 -15.0257 -14.4710 -14.4710 -14.4701 -14.4701 -3.9634 -3.9634 -3.8638 -3.8638 -3.5471 -3.5471 -3.5018 -3.5018 -2.6741 -2.6741 -2.5309 -2.5309 -2.4215 -2.4215 -2.2627 -2.2627 -1.8915 -1.8915 -1.8387 -1.8387 -1.7003 -1.7003 -1.6835 -1.6835 4.5244 4.5244 4.6444 4.6444 4.7257 4.7257 4.8125 4.8125 5.2116 5.2116 5.2823 5.2823 5.5427 5.5427 5.8042 5.8042 5.8764 5.8764 5.9475 5.9475 6.0393 6.0393 6.0568 6.0568 8.0790 8.0790 8.1395 8.1395 8.4303 8.4303 8.4878 8.4878 8.5797 8.5797 9.6562 9.6562 k = 0.3333 0.5774 0.0881 ( 21552 PWs) bands (ev): -15.0441 -15.0441 -15.0261 -15.0261 -14.4710 -14.4710 -14.4701 -14.4701 -3.9627 -3.9627 -3.8638 -3.8638 -3.5481 -3.5481 -3.5010 -3.5010 -2.6674 -2.6674 -2.5376 -2.5376 -2.4182 -2.4182 -2.2711 -2.2711 -1.8934 -1.8934 -1.8350 -1.8350 -1.7007 -1.7007 -1.6808 -1.6808 4.5249 4.5249 4.6451 4.6451 4.7272 4.7272 4.8131 4.8131 5.2154 5.2154 5.2853 5.2853 5.5428 5.5428 5.8065 5.8065 5.8752 5.8752 5.9472 5.9472 6.0378 6.0378 6.0579 6.0579 8.0622 8.0622 8.1114 8.1114 8.4203 8.4203 8.4901 8.4901 8.6033 8.6033 9.6496 9.6496 k = 0.3333 0.5774 0.1058 ( 21537 PWs) bands (ev): -15.0437 -15.0437 -15.0266 -15.0266 -14.4710 -14.4710 -14.4701 -14.4701 -3.9618 -3.9618 -3.8639 -3.8639 -3.5493 -3.5493 -3.5001 -3.5001 -2.6592 -2.6592 -2.5448 -2.5448 -2.4149 -2.4149 -2.2812 -2.2812 -1.8952 -1.8952 -1.8310 -1.8310 -1.7013 -1.7013 -1.6777 -1.6777 4.5256 4.5256 4.6459 4.6459 4.7288 4.7288 4.8137 4.8137 5.2199 5.2199 5.2887 5.2887 5.5430 5.5430 5.8092 5.8092 5.8738 5.8738 5.9469 5.9469 6.0361 6.0361 6.0591 6.0591 8.0419 8.0419 8.0799 8.0799 8.4108 8.4108 8.4928 8.4928 8.6322 8.6322 9.6410 9.6410 k = 0.3333 0.5774 0.1234 ( 21549 PWs) bands (ev): -15.0432 -15.0432 -15.0271 -15.0271 -14.4710 -14.4710 -14.4701 -14.4701 -3.9609 -3.9609 -3.8638 -3.8638 -3.5506 -3.5506 -3.4991 -3.4991 -2.6499 -2.6499 -2.5521 -2.5521 -2.4118 -2.4118 -2.2925 -2.2925 -1.8968 -1.8968 -1.8270 -1.8270 -1.7018 -1.7018 -1.6744 -1.6744 4.5262 4.5262 4.6468 4.6468 4.7306 4.7306 4.8144 4.8144 5.2249 5.2249 5.2925 5.2925 5.5431 5.5431 5.8121 5.8121 5.8723 5.8723 5.9465 5.9465 6.0341 6.0341 6.0606 6.0606 8.0189 8.0189 8.0464 8.0464 8.4024 8.4024 8.4958 8.4958 8.6661 8.6661 9.6299 9.6299 k = 0.3333 0.5774 0.1410 ( 21543 PWs) bands (ev): -15.0426 -15.0426 -15.0277 -15.0277 -14.4710 -14.4710 -14.4701 -14.4701 -3.9599 -3.9599 -3.8637 -3.8637 -3.5519 -3.5519 -3.4981 -3.4981 -2.6395 -2.6395 -2.5594 -2.5594 -2.4090 -2.4090 -2.3050 -2.3050 -1.8983 -1.8983 -1.8231 -1.8231 -1.7025 -1.7025 -1.6711 -1.6711 4.5270 4.5270 4.6478 4.6478 4.7325 4.7325 4.8150 4.8150 5.2303 5.2303 5.2967 5.2967 5.5432 5.5432 5.8152 5.8152 5.8707 5.8707 5.9461 5.9461 6.0321 6.0321 6.0621 6.0621 7.9939 7.9939 8.0120 8.0120 8.3955 8.3955 8.4990 8.4990 8.7050 8.7050 9.6157 9.6157 k = 0.3333 0.5774 0.1586 ( 21528 PWs) bands (ev): -15.0419 -15.0419 -15.0284 -15.0284 -14.4710 -14.4710 -14.4701 -14.4701 -3.9590 -3.9590 -3.8635 -3.8635 -3.5532 -3.5532 -3.4970 -3.4970 -2.6281 -2.6281 -2.5664 -2.5664 -2.4066 -2.4066 -2.3184 -2.3184 -1.8995 -1.8995 -1.8193 -1.8193 -1.7031 -1.7031 -1.6677 -1.6677 4.5277 4.5277 4.6487 4.6487 4.7344 4.7344 4.8157 4.8157 5.2358 5.2358 5.3009 5.3009 5.5434 5.5434 5.8184 5.8184 5.8690 5.8690 5.9458 5.9458 6.0300 6.0300 6.0636 6.0636 7.9679 7.9679 7.9779 7.9779 8.3902 8.3902 8.5023 8.5023 8.7485 8.7485 9.5977 9.5977 k = 0.3333 0.5774 0.1763 ( 21528 PWs) bands (ev): -15.0412 -15.0412 -15.0291 -15.0291 -14.4710 -14.4710 -14.4701 -14.4701 -3.9582 -3.9582 -3.8632 -3.8632 -3.5545 -3.5545 -3.4961 -3.4961 -2.6161 -2.6161 -2.5730 -2.5730 -2.4046 -2.4046 -2.3325 -2.3325 -1.9005 -1.9005 -1.8157 -1.8157 -1.7038 -1.7038 -1.6644 -1.6644 4.5284 4.5284 4.6496 4.6496 4.7363 4.7363 4.8164 4.8164 5.2414 5.2414 5.3052 5.3052 5.5435 5.5435 5.8216 5.8216 5.8672 5.8672 5.9454 5.9454 6.0279 6.0279 6.0652 6.0652 7.9422 7.9422 7.9453 7.9453 8.3862 8.3862 8.5056 8.5056 8.7966 8.7966 9.5750 9.5750 k = 0.3333 0.5774 0.1939 ( 21528 PWs) bands (ev): -15.0404 -15.0404 -15.0298 -15.0298 -14.4710 -14.4710 -14.4701 -14.4701 -3.9574 -3.9574 -3.8629 -3.8629 -3.5557 -3.5557 -3.4952 -3.4952 -2.6035 -2.6035 -2.5790 -2.5790 -2.4030 -2.4030 -2.3468 -2.3468 -1.9013 -1.9013 -1.8124 -1.8124 -1.7044 -1.7044 -1.6614 -1.6614 4.5291 4.5291 4.6505 4.6505 4.7381 4.7381 4.8170 4.8170 5.2467 5.2467 5.3093 5.3093 5.5436 5.5436 5.8246 5.8246 5.8656 5.8656 5.9451 5.9451 6.0259 6.0259 6.0667 6.0667 7.9150 7.9150 7.9176 7.9176 8.3835 8.3835 8.5087 8.5087 8.8486 8.8486 9.5467 9.5467 k = 0.3333 0.5774 0.2115 ( 21507 PWs) bands (ev): -15.0396 -15.0396 -15.0307 -15.0307 -14.4710 -14.4710 -14.4701 -14.4701 -3.9568 -3.9568 -3.8626 -3.8626 -3.5568 -3.5568 -3.4944 -3.4944 -2.5909 -2.5909 -2.5842 -2.5842 -2.4017 -2.4017 -2.3611 -2.3611 -1.9019 -1.9019 -1.8095 -1.8095 -1.7051 -1.7051 -1.6587 -1.6587 4.5298 4.5298 4.6513 4.6513 4.7396 4.7396 4.8175 4.8175 5.2517 5.2517 5.3131 5.3131 5.5437 5.5437 5.8274 5.8274 5.8640 5.8640 5.9448 5.9448 6.0241 6.0241 6.0681 6.0681 7.8880 7.8880 7.8952 7.8952 8.3816 8.3816 8.5116 8.5116 8.9042 8.9042 9.5121 9.5121 k = 0.3333 0.5774 0.2291 ( 21546 PWs) bands (ev): -15.0388 -15.0388 -15.0315 -15.0315 -14.4710 -14.4710 -14.4701 -14.4701 -3.9563 -3.9563 -3.8623 -3.8623 -3.5578 -3.5578 -3.4937 -3.4937 -2.5886 -2.5886 -2.5785 -2.5785 -2.4007 -2.4007 -2.3748 -2.3748 -1.9024 -1.9024 -1.8070 -1.8070 -1.7056 -1.7056 -1.6563 -1.6563 4.5303 4.5303 4.6520 4.6520 4.7410 4.7410 4.8180 4.8180 5.2560 5.2560 5.3165 5.3165 5.5438 5.5438 5.8298 5.8298 5.8626 5.8626 5.9446 5.9446 6.0225 6.0225 6.0693 6.0693 7.8649 7.8649 7.8757 7.8757 8.3805 8.3805 8.5141 8.5141 8.9627 8.9627 9.4709 9.4709 k = 0.3333 0.5774 0.2468 ( 21534 PWs) bands (ev): -15.0379 -15.0379 -15.0324 -15.0324 -14.4710 -14.4710 -14.4701 -14.4701 -3.9558 -3.9558 -3.8620 -3.8620 -3.5586 -3.5586 -3.4932 -3.4932 -2.5922 -2.5922 -2.5671 -2.5671 -2.4000 -2.4000 -2.3873 -2.3873 -1.9027 -1.9027 -1.8050 -1.8050 -1.7061 -1.7061 -1.6545 -1.6545 4.5308 4.5308 4.6526 4.6526 4.7421 4.7421 4.8184 4.8184 5.2596 5.2596 5.3193 5.3193 5.5438 5.5438 5.8318 5.8318 5.8614 5.8614 5.9444 5.9444 6.0212 6.0212 6.0703 6.0703 7.8464 7.8464 7.8599 7.8599 8.3798 8.3798 8.5162 8.5162 9.0228 9.0228 9.4236 9.4236 k = 0.3333 0.5774 0.2644 ( 21549 PWs) bands (ev): -15.0370 -15.0370 -15.0333 -15.0333 -14.4710 -14.4710 -14.4701 -14.4701 -3.9555 -3.9555 -3.8617 -3.8617 -3.5592 -3.5592 -3.4928 -3.4928 -2.5947 -2.5947 -2.5576 -2.5576 -2.3995 -2.3995 -2.3976 -2.3976 -1.9029 -1.9029 -1.8036 -1.8036 -1.7065 -1.7065 -1.6531 -1.6531 4.5311 4.5311 4.6530 4.6530 4.7429 4.7429 4.8187 4.8187 5.2623 5.2623 5.3214 5.3214 5.5439 5.5439 5.8332 5.8332 5.8606 5.8606 5.9443 5.9443 6.0203 6.0203 6.0711 6.0711 7.8328 7.8328 7.8482 7.8482 8.3795 8.3795 8.5177 8.5177 9.0826 9.0826 9.3726 9.3726 k = 0.3333 0.5774 0.2820 ( 21552 PWs) bands (ev): -15.0361 -15.0361 -15.0342 -15.0342 -14.4710 -14.4710 -14.4701 -14.4701 -3.9554 -3.9554 -3.8615 -3.8615 -3.5595 -3.5595 -3.4926 -3.4926 -2.5963 -2.5963 -2.5512 -2.5512 -2.4046 -2.4046 -2.3992 -2.3992 -1.9030 -1.9030 -1.8027 -1.8027 -1.7067 -1.7067 -1.6522 -1.6522 4.5313 4.5313 4.6533 4.6533 4.7434 4.7434 4.8188 4.8188 5.2639 5.2639 5.3227 5.3227 5.5439 5.5439 5.8341 5.8341 5.8600 5.8600 5.9442 5.9442 6.0197 6.0197 6.0715 6.0715 7.8245 7.8245 7.8410 7.8410 8.3793 8.3793 8.5186 8.5186 9.1362 9.1362 9.3239 9.3239 k = 0.3333 0.5774 0.2997 ( 21576 PWs) bands (ev): -15.0352 -15.0352 -15.0351 -15.0351 -14.4710 -14.4710 -14.4701 -14.4701 -3.9553 -3.9553 -3.8615 -3.8615 -3.5596 -3.5596 -3.4925 -3.4925 -2.5968 -2.5968 -2.5489 -2.5489 -2.4071 -2.4071 -2.3991 -2.3991 -1.9031 -1.9031 -1.8024 -1.8024 -1.7068 -1.7068 -1.6520 -1.6520 4.5314 4.5314 4.6534 4.6534 4.7436 4.7436 4.8189 4.8189 5.2645 5.2645 5.3231 5.3231 5.5439 5.5439 5.8344 5.8344 5.8598 5.8598 5.9442 5.9442 6.0195 6.0195 6.0717 6.0717 7.8217 7.8217 7.8386 7.8386 8.3793 8.3793 8.5190 8.5190 9.1629 9.1629 9.2988 9.2988 Writing output data file Cs2Pt.save init_run : 0.72s CPU 0.86s WALL ( 1 calls) electrons : 629.97s CPU 640.44s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.06s CPU 0.09s WALL ( 1 calls) Called by electrons: c_bands : 629.96s CPU 640.43s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.01s WALL ( 1 calls) newd : 0.41s CPU 0.44s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.20s CPU 0.24s WALL ( 236 calls) cegterg : 589.37s CPU 598.50s WALL ( 550 calls) Called by sum_band: Called by *egterg: h_psi : 392.91s CPU 398.43s WALL ( 9715 calls) s_psi : 18.79s CPU 18.53s WALL ( 9715 calls) g_psi : 1.01s CPU 0.92s WALL ( 8929 calls) cdiaghg : 127.58s CPU 128.12s WALL ( 9165 calls) cegterg:over : 29.83s CPU 29.84s WALL ( 8929 calls) cegterg:upda : 24.72s CPU 24.95s WALL ( 8929 calls) cegterg:last : 16.02s CPU 16.04s WALL ( 1494 calls) cdiaghg:chol : 5.62s CPU 5.65s WALL ( 9165 calls) cdiaghg:inve : 3.72s CPU 3.73s WALL ( 9165 calls) cdiaghg:para : 7.47s CPU 7.40s WALL ( 18330 calls) Called by h_psi: h_psi:vloc : 321.81s CPU 326.44s WALL ( 9715 calls) h_psi:vnl : 70.14s CPU 71.05s WALL ( 9715 calls) add_vuspsi : 40.86s CPU 41.31s WALL ( 9715 calls) General routines calbec : 29.20s CPU 29.70s WALL ( 9715 calls) fft : 0.01s CPU 0.02s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 307.91s CPU 312.55s WALL ( 1145248 calls) interpolate : 0.01s CPU 0.01s WALL ( 4 calls) davcio : 0.19s CPU 0.35s WALL ( 472 calls) Parallel routines fft_scatter : 150.83s CPU 153.20s WALL ( 1145271 calls) PWSCF : 11m28.86s CPU 11m56.59s WALL This run was terminated on: 14:24:29 31Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=