Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 19:31:40 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./Hg.save/ file Hg.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 6S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 58 23 7 1854 485 79 Max 59 24 8 1859 500 84 Sum 2107 859 253 66809 17749 2909 bravais-lattice index = 14 lattice parameter (alat) = 8.5794 a.u. unit-cell volume = 466.1759 (a.u.)^3 number of atoms/cell = 3 number of atomic types = 1 number of electrons = 36.00 number of Kohn-Sham states= 44 kinetic-energy cutoff = 43.0000 Ry charge density cutoff = 416.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.579356 celldm(2)= 1.000000 celldm(3)= 0.852423 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.500000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.500000 0.866025 0.000000 ) a(3) = ( 0.000000 0.000000 0.852423 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.577350 -0.000000 ) b(2) = ( 0.000000 1.154701 -0.000000 ) b(3) = ( 0.000000 0.000000 1.173127 ) PseudoPot. # 1 for Hg read from file: /users/gautes/Pseudo/Hg.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: a7fd98bfb2640362c6e2ed76594f1960 Pseudo is Ultrasoft + core correction, Zval = 12.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1279 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Hg 12.00 200.59000 Hg( 1.00) 24 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 3 180 deg rotation - cart. axis [0,1,0] cryst. s( 3) = ( -1 0 0 ) ( 1 1 0 ) ( 0 0 -1 ) cart. s( 3) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( 1 0 0 ) ( -1 -1 0 ) ( 0 0 -1 ) cart. s( 4) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 5 60 deg rotation - cryst. axis [0,0,1] cryst. s( 5) = ( 1 1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s( 5) = ( 0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 6 60 deg rotation - cryst. axis [0,0,-1] cryst. s( 6) = ( 0 -1 0 ) ( 1 1 0 ) ( 0 0 1 ) cart. s( 6) = ( 0.5000000 0.8660254 -0.0000000 ) ( -0.8660254 0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 7 120 deg rotation - cryst. axis [0,0,1] cryst. s( 7) = ( 0 1 0 ) ( -1 -1 0 ) ( 0 0 1 ) cart. s( 7) = ( -0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 8 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 8) = ( -1 -1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s( 8) = ( -0.5000000 0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 9 180 deg rotation - cryst. axis [1,-1,0] cryst. s( 9) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s( 9) = ( 0.5000000 -0.8660254 -0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 10 180 deg rotation - cryst. axis [2,1,0] cryst. s(10) = ( 1 1 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s(10) = ( 0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 11 180 deg rotation - cryst. axis [0,1,0] cryst. s(11) = ( -1 -1 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s(11) = ( -0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 12 180 deg rotation - cryst. axis [1,1,0] cryst. s(12) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s(12) = ( -0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 13 inversion cryst. s(13) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s(13) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 14 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s(14) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s(14) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 15 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s(15) = ( 1 0 0 ) ( -1 -1 0 ) ( 0 0 1 ) cart. s(15) = ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 16 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s(16) = ( -1 0 0 ) ( 1 1 0 ) ( 0 0 1 ) cart. s(16) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 17 inv. 60 deg rotation - cryst. axis [0,0,1] cryst. s(17) = ( -1 -1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s(17) = ( -0.5000000 0.8660254 -0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 18 inv. 60 deg rotation - cryst. axis [0,0,-1] cryst. s(18) = ( 0 1 0 ) ( -1 -1 0 ) ( 0 0 -1 ) cart. s(18) = ( -0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 19 inv. 120 deg rotation - cryst. axis [0,0,1] cryst. s(19) = ( 0 -1 0 ) ( 1 1 0 ) ( 0 0 -1 ) cart. s(19) = ( 0.5000000 0.8660254 -0.0000000 ) ( -0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 20 inv. 120 deg rotation - cryst. axis [0,0,-1] cryst. s(20) = ( 1 1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s(20) = ( 0.5000000 -0.8660254 -0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 21 inv. 180 deg rotation - cryst. axis [1,-1,0] cryst. s(21) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s(21) = ( -0.5000000 0.8660254 0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 22 inv. 180 deg rotation - cryst. axis [2,1,0] cryst. s(22) = ( -1 -1 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s(22) = ( -0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 23 inv. 180 deg rotation - cryst. axis [0,1,0] cryst. s(23) = ( 1 1 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s(23) = ( 0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 24 inv. 180 deg rotation - cryst. axis [1,1,0] cryst. s(24) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s(24) = ( 0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group D_6h(6/mmm) there are 18 classes and 6 irreducible representations the character table: E -E 2C6 -2C6 2C3 -2C3 C2 3C2' 3C2'' i -i 2S3 -C2 -3C2' -3C2' G_7+ 2.00 -2.00 1.73 -1.73 1.00 -1.00 0.00 0.00 0.00 2.00 -2.00 1.73 G_8+ 2.00 -2.00 -1.73 1.73 1.00 -1.00 0.00 0.00 0.00 2.00 -2.00 -1.73 G_9+ 2.00 -2.00 0.00 0.00 -2.00 2.00 0.00 0.00 0.00 2.00 -2.00 0.00 G_7- 2.00 -2.00 1.73 -1.73 1.00 -1.00 0.00 0.00 0.00 -2.00 2.00 -1.73 G_8- 2.00 -2.00 -1.73 1.73 1.00 -1.00 0.00 0.00 0.00 -2.00 2.00 1.73 G_9- 2.00 -2.00 0.00 0.00 -2.00 2.00 0.00 0.00 0.00 -2.00 2.00 0.00 -2S3 2S6 -2S6 s_h 3s_v 3s_d -s_h -3s_v -3s_d G_7+ -1.73 1.00 -1.00 0.00 0.00 0.00 G_8+ 1.73 1.00 -1.00 0.00 0.00 0.00 G_9+ 0.00 -2.00 2.00 0.00 0.00 0.00 G_7- 1.73 -1.00 1.00 0.00 0.00 0.00 G_8- -1.73 -1.00 1.00 0.00 0.00 0.00 G_9- 0.00 2.00 -2.00 0.00 0.00 0.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E 2C6 5 6 60 deg rotation - cryst. axis [0,0,1] -2C6 -5 -6 60 deg rotation - cryst. axis [0,0,1] E 2C3 7 8 120 deg rotation - cryst. axis [0,0,1] -2C3 -7 -8 120 deg rotation - cryst. axis [0,0,1] E C2 -C2 2 -2 180 deg rotation - cart. axis [0,0,1] 3C2'-3C2' 4 -4 12 -11 11 -12 180 deg rotation - cart. axis [1,0,0] 3C2''-3C2' 3 -3 9 10 -10 -9 180 deg rotation - cart. axis [0,1,0] i 13 inversion -i -13 inversion E 2S3 17 18 inv. 60 deg rotation - cryst. axis [0,0,1] -2S3 -17 -18 inv. 60 deg rotation - cryst. axis [0,0,1] E 2S6 19 20 inv. 120 deg rotation - cryst. axis [0,0,1] -2S6 -19 -20 inv. 120 deg rotation - cryst. axis [0,0,1] E s_h -s_h 14 -14 inv. 180 deg rotation - cart. axis [0,0,1] 3s_v-3s_v 16 -16 24 -23 23 -24 inv. 180 deg rotation - cart. axis [1,0,0] 3s_d-3s_d 15 -15 21 22 -22 -21 inv. 180 deg rotation - cart. axis [0,1,0] Cartesian axes number of k points= 354 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028249 k( 2) = ( 0.0125000 0.0072169 -0.0000000), wk = 0.0028249 k( 3) = ( 0.0250000 0.0144338 -0.0000000), wk = 0.0028249 k( 4) = ( 0.0375000 0.0216506 -0.0000000), wk = 0.0028249 k( 5) = ( 0.0500000 0.0288675 -0.0000000), wk = 0.0028249 k( 6) = ( 0.0625000 0.0360844 -0.0000000), wk = 0.0028249 k( 7) = ( 0.0750000 0.0433013 -0.0000000), wk = 0.0028249 k( 8) = ( 0.0875000 0.0505181 -0.0000000), wk = 0.0028249 k( 9) = ( 0.1000000 0.0577350 -0.0000000), wk = 0.0028249 k( 10) = ( 0.1125000 0.0649519 -0.0000000), wk = 0.0028249 k( 11) = ( 0.1250000 0.0721688 -0.0000000), wk = 0.0028249 k( 12) = ( 0.1375000 0.0793857 -0.0000000), wk = 0.0028249 k( 13) = ( 0.1500000 0.0866025 -0.0000000), wk = 0.0028249 k( 14) = ( 0.1625000 0.0938194 -0.0000000), wk = 0.0028249 k( 15) = ( 0.1750000 0.1010363 -0.0000000), wk = 0.0028249 k( 16) = ( 0.1875000 0.1082532 -0.0000000), wk = 0.0028249 k( 17) = ( 0.2000000 0.1154701 -0.0000000), wk = 0.0028249 k( 18) = ( 0.2125000 0.1226869 -0.0000000), wk = 0.0028249 k( 19) = ( 0.2250000 0.1299038 -0.0000000), wk = 0.0028249 k( 20) = ( 0.2375000 0.1371207 -0.0000000), wk = 0.0028249 k( 21) = ( 0.2500000 0.1443376 -0.0000000), wk = 0.0028249 k( 22) = ( 0.2625000 0.1515544 -0.0000000), wk = 0.0028249 k( 23) = ( 0.2750000 0.1587713 -0.0000000), wk = 0.0028249 k( 24) = ( 0.2875000 0.1659882 -0.0000000), wk = 0.0028249 k( 25) = ( 0.3000000 0.1732051 -0.0000000), wk = 0.0028249 k( 26) = ( 0.3125000 0.1804220 -0.0000000), wk = 0.0028249 k( 27) = ( 0.3250000 0.1876388 -0.0000000), wk = 0.0028249 k( 28) = ( 0.3375000 0.1948557 -0.0000000), wk = 0.0028249 k( 29) = ( 0.3500000 0.2020726 -0.0000000), wk = 0.0028249 k( 30) = ( 0.3625000 0.2092895 -0.0000000), wk = 0.0028249 k( 31) = ( 0.3750000 0.2165064 -0.0000000), wk = 0.0028249 k( 32) = ( 0.3875000 0.2237232 -0.0000000), wk = 0.0028249 k( 33) = ( 0.4000000 0.2309401 -0.0000000), wk = 0.0028249 k( 34) = ( 0.4125000 0.2381570 -0.0000000), wk = 0.0028249 k( 35) = ( 0.4250000 0.2453739 -0.0000000), wk = 0.0028249 k( 36) = ( 0.4375000 0.2525907 -0.0000000), wk = 0.0028249 k( 37) = ( 0.4500000 0.2598076 -0.0000000), wk = 0.0028249 k( 38) = ( 0.4625000 0.2670245 -0.0000000), wk = 0.0028249 k( 39) = ( 0.4750000 0.2742414 -0.0000000), wk = 0.0028249 k( 40) = ( 0.4875000 0.2814583 -0.0000000), wk = 0.0028249 k( 41) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0028249 k( 42) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0028249 k( 43) = ( 0.4930556 0.3007033 -0.0000000), wk = 0.0028249 k( 44) = ( 0.4861111 0.3127314 -0.0000000), wk = 0.0028249 k( 45) = ( 0.4791667 0.3247595 -0.0000000), wk = 0.0028249 k( 46) = ( 0.4722222 0.3367877 -0.0000000), wk = 0.0028249 k( 47) = ( 0.4652778 0.3488158 -0.0000000), wk = 0.0028249 k( 48) = ( 0.4583333 0.3608439 -0.0000000), wk = 0.0028249 k( 49) = ( 0.4513889 0.3728720 -0.0000000), wk = 0.0028249 k( 50) = ( 0.4444444 0.3849002 -0.0000000), wk = 0.0028249 k( 51) = ( 0.4375000 0.3969283 -0.0000000), wk = 0.0028249 k( 52) = ( 0.4305556 0.4089564 -0.0000000), wk = 0.0028249 k( 53) = ( 0.4236111 0.4209846 -0.0000000), wk = 0.0028249 k( 54) = ( 0.4166667 0.4330127 -0.0000000), wk = 0.0028249 k( 55) = ( 0.4097222 0.4450408 -0.0000000), wk = 0.0028249 k( 56) = ( 0.4027778 0.4570690 -0.0000000), wk = 0.0028249 k( 57) = ( 0.3958333 0.4690971 -0.0000000), wk = 0.0028249 k( 58) = ( 0.3888889 0.4811252 -0.0000000), wk = 0.0028249 k( 59) = ( 0.3819444 0.4931534 -0.0000000), wk = 0.0028249 k( 60) = ( 0.3750000 0.5051815 -0.0000000), wk = 0.0028249 k( 61) = ( 0.3680556 0.5172096 -0.0000000), wk = 0.0028249 k( 62) = ( 0.3611111 0.5292377 -0.0000000), wk = 0.0028249 k( 63) = ( 0.3541667 0.5412659 -0.0000000), wk = 0.0028249 k( 64) = ( 0.3472222 0.5532940 -0.0000000), wk = 0.0028249 k( 65) = ( 0.3402778 0.5653221 -0.0000000), wk = 0.0028249 k( 66) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0028249 k( 67) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0028249 k( 68) = ( 0.3262411 0.5650662 -0.0000000), wk = 0.0028249 k( 69) = ( 0.3191489 0.5527822 -0.0000000), wk = 0.0028249 k( 70) = ( 0.3120567 0.5404981 -0.0000000), wk = 0.0028249 k( 71) = ( 0.3049645 0.5282141 -0.0000000), wk = 0.0028249 k( 72) = ( 0.2978723 0.5159300 -0.0000000), wk = 0.0028249 k( 73) = ( 0.2907801 0.5036460 -0.0000000), wk = 0.0028249 k( 74) = ( 0.2836879 0.4913619 -0.0000000), wk = 0.0028249 k( 75) = ( 0.2765957 0.4790779 -0.0000000), wk = 0.0028249 k( 76) = ( 0.2695035 0.4667938 -0.0000000), wk = 0.0028249 k( 77) = ( 0.2624113 0.4545098 -0.0000000), wk = 0.0028249 k( 78) = ( 0.2553191 0.4422257 -0.0000000), wk = 0.0028249 k( 79) = ( 0.2482270 0.4299417 -0.0000000), wk = 0.0028249 k( 80) = ( 0.2411348 0.4176576 -0.0000000), wk = 0.0028249 k( 81) = ( 0.2340425 0.4053736 -0.0000000), wk = 0.0028249 k( 82) = ( 0.2269503 0.3930895 -0.0000000), wk = 0.0028249 k( 83) = ( 0.2198582 0.3808055 -0.0000000), wk = 0.0028249 k( 84) = ( 0.2127660 0.3685215 -0.0000000), wk = 0.0028249 k( 85) = ( 0.2056738 0.3562374 -0.0000000), wk = 0.0028249 k( 86) = ( 0.1985816 0.3439534 -0.0000000), wk = 0.0028249 k( 87) = ( 0.1914894 0.3316693 -0.0000000), wk = 0.0028249 k( 88) = ( 0.1843972 0.3193852 -0.0000000), wk = 0.0028249 k( 89) = ( 0.1773050 0.3071012 -0.0000000), wk = 0.0028249 k( 90) = ( 0.1702128 0.2948172 -0.0000000), wk = 0.0028249 k( 91) = ( 0.1631206 0.2825331 -0.0000000), wk = 0.0028249 k( 92) = ( 0.1560284 0.2702491 -0.0000000), wk = 0.0028249 k( 93) = ( 0.1489362 0.2579650 -0.0000000), wk = 0.0028249 k( 94) = ( 0.1418440 0.2456810 -0.0000000), wk = 0.0028249 k( 95) = ( 0.1347518 0.2333969 -0.0000000), wk = 0.0028249 k( 96) = ( 0.1276596 0.2211129 -0.0000000), wk = 0.0028249 k( 97) = ( 0.1205674 0.2088288 -0.0000000), wk = 0.0028249 k( 98) = ( 0.1134752 0.1965448 -0.0000000), wk = 0.0028249 k( 99) = ( 0.1063830 0.1842607 -0.0000000), wk = 0.0028249 k( 100) = ( 0.0992908 0.1719767 -0.0000000), wk = 0.0028249 k( 101) = ( 0.0921986 0.1596926 -0.0000000), wk = 0.0028249 k( 102) = ( 0.0851064 0.1474086 -0.0000000), wk = 0.0028249 k( 103) = ( 0.0780142 0.1351245 -0.0000000), wk = 0.0028249 k( 104) = ( 0.0709220 0.1228405 -0.0000000), wk = 0.0028249 k( 105) = ( 0.0638298 0.1105564 -0.0000000), wk = 0.0028249 k( 106) = ( 0.0567376 0.0982724 -0.0000000), wk = 0.0028249 k( 107) = ( 0.0496454 0.0859883 -0.0000000), wk = 0.0028249 k( 108) = ( 0.0425532 0.0737043 -0.0000000), wk = 0.0028249 k( 109) = ( 0.0354610 0.0614202 -0.0000000), wk = 0.0028249 k( 110) = ( 0.0283688 0.0491362 -0.0000000), wk = 0.0028249 k( 111) = ( 0.0212766 0.0368522 -0.0000000), wk = 0.0028249 k( 112) = ( 0.0141844 0.0245681 -0.0000000), wk = 0.0028249 k( 113) = ( 0.0070922 0.0122841 -0.0000000), wk = 0.0028249 k( 114) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028249 k( 115) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028249 k( 116) = ( 0.0000000 0.0000000 0.0143064), wk = 0.0028249 k( 117) = ( 0.0000000 0.0000000 0.0286128), wk = 0.0028249 k( 118) = ( 0.0000000 0.0000000 0.0429193), wk = 0.0028249 k( 119) = ( 0.0000000 0.0000000 0.0572257), wk = 0.0028249 k( 120) = ( 0.0000000 0.0000000 0.0715321), wk = 0.0028249 k( 121) = ( 0.0000000 0.0000000 0.0858385), wk = 0.0028249 k( 122) = ( 0.0000000 0.0000000 0.1001450), wk = 0.0028249 k( 123) = ( 0.0000000 0.0000000 0.1144514), wk = 0.0028249 k( 124) = ( 0.0000000 0.0000000 0.1287578), wk = 0.0028249 k( 125) = ( 0.0000000 0.0000000 0.1430642), wk = 0.0028249 k( 126) = ( 0.0000000 0.0000000 0.1573706), wk = 0.0028249 k( 127) = ( 0.0000000 0.0000000 0.1716771), wk = 0.0028249 k( 128) = ( 0.0000000 0.0000000 0.1859835), wk = 0.0028249 k( 129) = ( 0.0000000 0.0000000 0.2002899), wk = 0.0028249 k( 130) = ( 0.0000000 0.0000000 0.2145963), wk = 0.0028249 k( 131) = ( 0.0000000 0.0000000 0.2289028), wk = 0.0028249 k( 132) = ( 0.0000000 0.0000000 0.2432092), wk = 0.0028249 k( 133) = ( 0.0000000 0.0000000 0.2575156), wk = 0.0028249 k( 134) = ( 0.0000000 0.0000000 0.2718220), wk = 0.0028249 k( 135) = ( 0.0000000 0.0000000 0.2861284), wk = 0.0028249 k( 136) = ( 0.0000000 0.0000000 0.3004349), wk = 0.0028249 k( 137) = ( 0.0000000 0.0000000 0.3147413), wk = 0.0028249 k( 138) = ( 0.0000000 0.0000000 0.3290477), wk = 0.0028249 k( 139) = ( 0.0000000 0.0000000 0.3433541), wk = 0.0028249 k( 140) = ( 0.0000000 0.0000000 0.3576606), wk = 0.0028249 k( 141) = ( 0.0000000 0.0000000 0.3719670), wk = 0.0028249 k( 142) = ( 0.0000000 0.0000000 0.3862734), wk = 0.0028249 k( 143) = ( 0.0000000 0.0000000 0.4005798), wk = 0.0028249 k( 144) = ( 0.0000000 0.0000000 0.4148862), wk = 0.0028249 k( 145) = ( 0.0000000 0.0000000 0.4291927), wk = 0.0028249 k( 146) = ( 0.0000000 0.0000000 0.4434991), wk = 0.0028249 k( 147) = ( 0.0000000 0.0000000 0.4578055), wk = 0.0028249 k( 148) = ( 0.0000000 0.0000000 0.4721119), wk = 0.0028249 k( 149) = ( 0.0000000 0.0000000 0.4864184), wk = 0.0028249 k( 150) = ( 0.0000000 0.0000000 0.5007248), wk = 0.0028249 k( 151) = ( 0.0000000 0.0000000 0.5150312), wk = 0.0028249 k( 152) = ( 0.0000000 0.0000000 0.5293376), wk = 0.0028249 k( 153) = ( 0.0000000 0.0000000 0.5436440), wk = 0.0028249 k( 154) = ( 0.0000000 0.0000000 0.5579505), wk = 0.0028249 k( 155) = ( 0.0000000 0.0000000 0.5722569), wk = 0.0028249 k( 156) = ( 0.0000000 0.0000000 0.5865633), wk = 0.0028249 k( 157) = ( 0.0000000 0.0000000 0.5865633), wk = 0.0028249 k( 158) = ( 0.0125000 0.0072169 0.5865633), wk = 0.0028249 k( 159) = ( 0.0250000 0.0144338 0.5865633), wk = 0.0028249 k( 160) = ( 0.0375000 0.0216506 0.5865633), wk = 0.0028249 k( 161) = ( 0.0500000 0.0288675 0.5865633), wk = 0.0028249 k( 162) = ( 0.0625000 0.0360844 0.5865633), wk = 0.0028249 k( 163) = ( 0.0750000 0.0433013 0.5865633), wk = 0.0028249 k( 164) = ( 0.0875000 0.0505181 0.5865633), wk = 0.0028249 k( 165) = ( 0.1000000 0.0577350 0.5865633), wk = 0.0028249 k( 166) = ( 0.1125000 0.0649519 0.5865633), wk = 0.0028249 k( 167) = ( 0.1250000 0.0721688 0.5865633), wk = 0.0028249 k( 168) = ( 0.1375000 0.0793857 0.5865633), wk = 0.0028249 k( 169) = ( 0.1500000 0.0866025 0.5865633), wk = 0.0028249 k( 170) = ( 0.1625000 0.0938194 0.5865633), wk = 0.0028249 k( 171) = ( 0.1750000 0.1010363 0.5865633), wk = 0.0028249 k( 172) = ( 0.1875000 0.1082532 0.5865633), wk = 0.0028249 k( 173) = ( 0.2000000 0.1154701 0.5865633), wk = 0.0028249 k( 174) = ( 0.2125000 0.1226869 0.5865633), wk = 0.0028249 k( 175) = ( 0.2250000 0.1299038 0.5865633), wk = 0.0028249 k( 176) = ( 0.2375000 0.1371207 0.5865633), wk = 0.0028249 k( 177) = ( 0.2500000 0.1443376 0.5865633), wk = 0.0028249 k( 178) = ( 0.2625000 0.1515544 0.5865633), wk = 0.0028249 k( 179) = ( 0.2750000 0.1587713 0.5865633), wk = 0.0028249 k( 180) = ( 0.2875000 0.1659882 0.5865633), wk = 0.0028249 k( 181) = ( 0.3000000 0.1732051 0.5865633), wk = 0.0028249 k( 182) = ( 0.3125000 0.1804220 0.5865633), wk = 0.0028249 k( 183) = ( 0.3250000 0.1876388 0.5865633), wk = 0.0028249 k( 184) = ( 0.3375000 0.1948557 0.5865633), wk = 0.0028249 k( 185) = ( 0.3500000 0.2020726 0.5865633), wk = 0.0028249 k( 186) = ( 0.3625000 0.2092895 0.5865633), wk = 0.0028249 k( 187) = ( 0.3750000 0.2165064 0.5865633), wk = 0.0028249 k( 188) = ( 0.3875000 0.2237232 0.5865633), wk = 0.0028249 k( 189) = ( 0.4000000 0.2309401 0.5865633), wk = 0.0028249 k( 190) = ( 0.4125000 0.2381570 0.5865633), wk = 0.0028249 k( 191) = ( 0.4250000 0.2453739 0.5865633), wk = 0.0028249 k( 192) = ( 0.4375000 0.2525907 0.5865633), wk = 0.0028249 k( 193) = ( 0.4500000 0.2598076 0.5865633), wk = 0.0028249 k( 194) = ( 0.4625000 0.2670245 0.5865633), wk = 0.0028249 k( 195) = ( 0.4750000 0.2742414 0.5865633), wk = 0.0028249 k( 196) = ( 0.4875000 0.2814583 0.5865633), wk = 0.0028249 k( 197) = ( 0.5000000 0.2886751 0.5865633), wk = 0.0028249 k( 198) = ( 0.5000000 0.2886751 0.5865633), wk = 0.0028249 k( 199) = ( 0.4930556 0.3007033 0.5865633), wk = 0.0028249 k( 200) = ( 0.4861111 0.3127314 0.5865633), wk = 0.0028249 k( 201) = ( 0.4791667 0.3247595 0.5865633), wk = 0.0028249 k( 202) = ( 0.4722222 0.3367877 0.5865633), wk = 0.0028249 k( 203) = ( 0.4652778 0.3488158 0.5865633), wk = 0.0028249 k( 204) = ( 0.4583333 0.3608439 0.5865633), wk = 0.0028249 k( 205) = ( 0.4513889 0.3728720 0.5865633), wk = 0.0028249 k( 206) = ( 0.4444444 0.3849002 0.5865633), wk = 0.0028249 k( 207) = ( 0.4375000 0.3969283 0.5865633), wk = 0.0028249 k( 208) = ( 0.4305556 0.4089564 0.5865633), wk = 0.0028249 k( 209) = ( 0.4236111 0.4209846 0.5865633), wk = 0.0028249 k( 210) = ( 0.4166667 0.4330127 0.5865633), wk = 0.0028249 k( 211) = ( 0.4097222 0.4450408 0.5865633), wk = 0.0028249 k( 212) = ( 0.4027778 0.4570690 0.5865633), wk = 0.0028249 k( 213) = ( 0.3958333 0.4690971 0.5865633), wk = 0.0028249 k( 214) = ( 0.3888889 0.4811252 0.5865633), wk = 0.0028249 k( 215) = ( 0.3819444 0.4931534 0.5865633), wk = 0.0028249 k( 216) = ( 0.3750000 0.5051815 0.5865633), wk = 0.0028249 k( 217) = ( 0.3680556 0.5172096 0.5865633), wk = 0.0028249 k( 218) = ( 0.3611111 0.5292377 0.5865633), wk = 0.0028249 k( 219) = ( 0.3541667 0.5412659 0.5865633), wk = 0.0028249 k( 220) = ( 0.3472222 0.5532940 0.5865633), wk = 0.0028249 k( 221) = ( 0.3402778 0.5653221 0.5865633), wk = 0.0028249 k( 222) = ( 0.3333333 0.5773503 0.5865633), wk = 0.0028249 k( 223) = ( 0.3333333 0.5773503 0.5865633), wk = 0.0028249 k( 224) = ( 0.3262411 0.5650662 0.5865633), wk = 0.0028249 k( 225) = ( 0.3191489 0.5527822 0.5865633), wk = 0.0028249 k( 226) = ( 0.3120567 0.5404981 0.5865633), wk = 0.0028249 k( 227) = ( 0.3049645 0.5282141 0.5865633), wk = 0.0028249 k( 228) = ( 0.2978723 0.5159300 0.5865633), wk = 0.0028249 k( 229) = ( 0.2907801 0.5036460 0.5865633), wk = 0.0028249 k( 230) = ( 0.2836879 0.4913619 0.5865633), wk = 0.0028249 k( 231) = ( 0.2765957 0.4790779 0.5865633), wk = 0.0028249 k( 232) = ( 0.2695035 0.4667938 0.5865633), wk = 0.0028249 k( 233) = ( 0.2624113 0.4545098 0.5865633), wk = 0.0028249 k( 234) = ( 0.2553191 0.4422257 0.5865633), wk = 0.0028249 k( 235) = ( 0.2482270 0.4299417 0.5865633), wk = 0.0028249 k( 236) = ( 0.2411348 0.4176576 0.5865633), wk = 0.0028249 k( 237) = ( 0.2340425 0.4053736 0.5865633), wk = 0.0028249 k( 238) = ( 0.2269503 0.3930895 0.5865633), wk = 0.0028249 k( 239) = ( 0.2198582 0.3808055 0.5865633), wk = 0.0028249 k( 240) = ( 0.2127660 0.3685215 0.5865633), wk = 0.0028249 k( 241) = ( 0.2056738 0.3562374 0.5865633), wk = 0.0028249 k( 242) = ( 0.1985816 0.3439534 0.5865633), wk = 0.0028249 k( 243) = ( 0.1914894 0.3316693 0.5865633), wk = 0.0028249 k( 244) = ( 0.1843972 0.3193852 0.5865633), wk = 0.0028249 k( 245) = ( 0.1773050 0.3071012 0.5865633), wk = 0.0028249 k( 246) = ( 0.1702128 0.2948172 0.5865633), wk = 0.0028249 k( 247) = ( 0.1631206 0.2825331 0.5865633), wk = 0.0028249 k( 248) = ( 0.1560284 0.2702491 0.5865633), wk = 0.0028249 k( 249) = ( 0.1489362 0.2579650 0.5865633), wk = 0.0028249 k( 250) = ( 0.1418440 0.2456810 0.5865633), wk = 0.0028249 k( 251) = ( 0.1347518 0.2333969 0.5865633), wk = 0.0028249 k( 252) = ( 0.1276596 0.2211129 0.5865633), wk = 0.0028249 k( 253) = ( 0.1205674 0.2088288 0.5865633), wk = 0.0028249 k( 254) = ( 0.1134752 0.1965448 0.5865633), wk = 0.0028249 k( 255) = ( 0.1063830 0.1842607 0.5865633), wk = 0.0028249 k( 256) = ( 0.0992908 0.1719767 0.5865633), wk = 0.0028249 k( 257) = ( 0.0921986 0.1596926 0.5865633), wk = 0.0028249 k( 258) = ( 0.0851064 0.1474086 0.5865633), wk = 0.0028249 k( 259) = ( 0.0780142 0.1351245 0.5865633), wk = 0.0028249 k( 260) = ( 0.0709220 0.1228405 0.5865633), wk = 0.0028249 k( 261) = ( 0.0638298 0.1105564 0.5865633), wk = 0.0028249 k( 262) = ( 0.0567376 0.0982724 0.5865633), wk = 0.0028249 k( 263) = ( 0.0496454 0.0859883 0.5865633), wk = 0.0028249 k( 264) = ( 0.0425532 0.0737043 0.5865633), wk = 0.0028249 k( 265) = ( 0.0354610 0.0614202 0.5865633), wk = 0.0028249 k( 266) = ( 0.0283688 0.0491362 0.5865633), wk = 0.0028249 k( 267) = ( 0.0212766 0.0368522 0.5865633), wk = 0.0028249 k( 268) = ( 0.0141844 0.0245681 0.5865633), wk = 0.0028249 k( 269) = ( 0.0070922 0.0122841 0.5865633), wk = 0.0028249 k( 270) = ( 0.0000000 0.0000000 0.5865633), wk = 0.0028249 k( 271) = ( 0.5000000 0.2886751 0.5865633), wk = 0.0028249 k( 272) = ( 0.5000000 0.2886751 0.5722569), wk = 0.0028249 k( 273) = ( 0.5000000 0.2886751 0.5579505), wk = 0.0028249 k( 274) = ( 0.5000000 0.2886751 0.5436440), wk = 0.0028249 k( 275) = ( 0.5000000 0.2886751 0.5293376), wk = 0.0028249 k( 276) = ( 0.5000000 0.2886751 0.5150312), wk = 0.0028249 k( 277) = ( 0.5000000 0.2886751 0.5007248), wk = 0.0028249 k( 278) = ( 0.5000000 0.2886751 0.4864184), wk = 0.0028249 k( 279) = ( 0.5000000 0.2886751 0.4721119), wk = 0.0028249 k( 280) = ( 0.5000000 0.2886751 0.4578055), wk = 0.0028249 k( 281) = ( 0.5000000 0.2886751 0.4434991), wk = 0.0028249 k( 282) = ( 0.5000000 0.2886751 0.4291927), wk = 0.0028249 k( 283) = ( 0.5000000 0.2886751 0.4148862), wk = 0.0028249 k( 284) = ( 0.5000000 0.2886751 0.4005798), wk = 0.0028249 k( 285) = ( 0.5000000 0.2886751 0.3862734), wk = 0.0028249 k( 286) = ( 0.5000000 0.2886751 0.3719670), wk = 0.0028249 k( 287) = ( 0.5000000 0.2886751 0.3576606), wk = 0.0028249 k( 288) = ( 0.5000000 0.2886751 0.3433541), wk = 0.0028249 k( 289) = ( 0.5000000 0.2886751 0.3290477), wk = 0.0028249 k( 290) = ( 0.5000000 0.2886751 0.3147413), wk = 0.0028249 k( 291) = ( 0.5000000 0.2886751 0.3004349), wk = 0.0028249 k( 292) = ( 0.5000000 0.2886751 0.2861284), wk = 0.0028249 k( 293) = ( 0.5000000 0.2886751 0.2718220), wk = 0.0028249 k( 294) = ( 0.5000000 0.2886751 0.2575156), wk = 0.0028249 k( 295) = ( 0.5000000 0.2886751 0.2432092), wk = 0.0028249 k( 296) = ( 0.5000000 0.2886751 0.2289028), wk = 0.0028249 k( 297) = ( 0.5000000 0.2886751 0.2145963), wk = 0.0028249 k( 298) = ( 0.5000000 0.2886751 0.2002899), wk = 0.0028249 k( 299) = ( 0.5000000 0.2886751 0.1859835), wk = 0.0028249 k( 300) = ( 0.5000000 0.2886751 0.1716771), wk = 0.0028249 k( 301) = ( 0.5000000 0.2886751 0.1573706), wk = 0.0028249 k( 302) = ( 0.5000000 0.2886751 0.1430642), wk = 0.0028249 k( 303) = ( 0.5000000 0.2886751 0.1287578), wk = 0.0028249 k( 304) = ( 0.5000000 0.2886751 0.1144514), wk = 0.0028249 k( 305) = ( 0.5000000 0.2886751 0.1001450), wk = 0.0028249 k( 306) = ( 0.5000000 0.2886751 0.0858385), wk = 0.0028249 k( 307) = ( 0.5000000 0.2886751 0.0715321), wk = 0.0028249 k( 308) = ( 0.5000000 0.2886751 0.0572257), wk = 0.0028249 k( 309) = ( 0.5000000 0.2886751 0.0429193), wk = 0.0028249 k( 310) = ( 0.5000000 0.2886751 0.0286128), wk = 0.0028249 k( 311) = ( 0.5000000 0.2886751 0.0143064), wk = 0.0028249 k( 312) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0028249 k( 313) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0028249 k( 314) = ( 0.3333333 0.5773503 0.0143064), wk = 0.0028249 k( 315) = ( 0.3333333 0.5773503 0.0286128), wk = 0.0028249 k( 316) = ( 0.3333333 0.5773503 0.0429193), wk = 0.0028249 k( 317) = ( 0.3333333 0.5773503 0.0572257), wk = 0.0028249 k( 318) = ( 0.3333333 0.5773503 0.0715321), wk = 0.0028249 k( 319) = ( 0.3333333 0.5773503 0.0858385), wk = 0.0028249 k( 320) = ( 0.3333333 0.5773503 0.1001450), wk = 0.0028249 k( 321) = ( 0.3333333 0.5773503 0.1144514), wk = 0.0028249 k( 322) = ( 0.3333333 0.5773503 0.1287578), wk = 0.0028249 k( 323) = ( 0.3333333 0.5773503 0.1430642), wk = 0.0028249 k( 324) = ( 0.3333333 0.5773503 0.1573706), wk = 0.0028249 k( 325) = ( 0.3333333 0.5773503 0.1716771), wk = 0.0028249 k( 326) = ( 0.3333333 0.5773503 0.1859835), wk = 0.0028249 k( 327) = ( 0.3333333 0.5773503 0.2002899), wk = 0.0028249 k( 328) = ( 0.3333333 0.5773503 0.2145963), wk = 0.0028249 k( 329) = ( 0.3333333 0.5773503 0.2289028), wk = 0.0028249 k( 330) = ( 0.3333333 0.5773503 0.2432092), wk = 0.0028249 k( 331) = ( 0.3333333 0.5773503 0.2575156), wk = 0.0028249 k( 332) = ( 0.3333333 0.5773503 0.2718220), wk = 0.0028249 k( 333) = ( 0.3333333 0.5773503 0.2861284), wk = 0.0028249 k( 334) = ( 0.3333333 0.5773503 0.3004349), wk = 0.0028249 k( 335) = ( 0.3333333 0.5773503 0.3147413), wk = 0.0028249 k( 336) = ( 0.3333333 0.5773503 0.3290477), wk = 0.0028249 k( 337) = ( 0.3333333 0.5773503 0.3433541), wk = 0.0028249 k( 338) = ( 0.3333333 0.5773503 0.3576606), wk = 0.0028249 k( 339) = ( 0.3333333 0.5773503 0.3719670), wk = 0.0028249 k( 340) = ( 0.3333333 0.5773503 0.3862734), wk = 0.0028249 k( 341) = ( 0.3333333 0.5773503 0.4005798), wk = 0.0028249 k( 342) = ( 0.3333333 0.5773503 0.4148862), wk = 0.0028249 k( 343) = ( 0.3333333 0.5773503 0.4291927), wk = 0.0028249 k( 344) = ( 0.3333333 0.5773503 0.4434991), wk = 0.0028249 k( 345) = ( 0.3333333 0.5773503 0.4578055), wk = 0.0028249 k( 346) = ( 0.3333333 0.5773503 0.4721119), wk = 0.0028249 k( 347) = ( 0.3333333 0.5773503 0.4864184), wk = 0.0028249 k( 348) = ( 0.3333333 0.5773503 0.5007248), wk = 0.0028249 k( 349) = ( 0.3333333 0.5773503 0.5150312), wk = 0.0028249 k( 350) = ( 0.3333333 0.5773503 0.5293376), wk = 0.0028249 k( 351) = ( 0.3333333 0.5773503 0.5436440), wk = 0.0028249 k( 352) = ( 0.3333333 0.5773503 0.5579505), wk = 0.0028249 k( 353) = ( 0.3333333 0.5773503 0.5722569), wk = 0.0028249 k( 354) = ( 0.3333333 0.5773503 0.5865633), wk = 0.0028249 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028249 k( 2) = ( 0.0125000 -0.0000000 -0.0000000), wk = 0.0028249 k( 3) = ( 0.0250000 -0.0000000 -0.0000000), wk = 0.0028249 k( 4) = ( 0.0375000 0.0000000 -0.0000000), wk = 0.0028249 k( 5) = ( 0.0500000 -0.0000000 -0.0000000), wk = 0.0028249 k( 6) = ( 0.0625000 0.0000000 -0.0000000), wk = 0.0028249 k( 7) = ( 0.0750000 0.0000000 -0.0000000), wk = 0.0028249 k( 8) = ( 0.0875000 0.0000000 0.0000000), wk = 0.0028249 k( 9) = ( 0.1000000 -0.0000000 -0.0000000), wk = 0.0028249 k( 10) = ( 0.1125000 0.0000000 -0.0000000), wk = 0.0028249 k( 11) = ( 0.1250000 0.0000000 -0.0000000), wk = 0.0028249 k( 12) = ( 0.1375000 0.0000000 -0.0000000), wk = 0.0028249 k( 13) = ( 0.1500000 0.0000000 -0.0000000), wk = 0.0028249 k( 14) = ( 0.1625000 0.0000000 -0.0000000), wk = 0.0028249 k( 15) = ( 0.1750000 0.0000000 0.0000000), wk = 0.0028249 k( 16) = ( 0.1875000 0.0000000 -0.0000000), wk = 0.0028249 k( 17) = ( 0.2000000 -0.0000000 -0.0000000), wk = 0.0028249 k( 18) = ( 0.2125000 -0.0000000 -0.0000000), wk = 0.0028249 k( 19) = ( 0.2250000 0.0000000 -0.0000000), wk = 0.0028249 k( 20) = ( 0.2375000 0.0000000 -0.0000000), wk = 0.0028249 k( 21) = ( 0.2500000 0.0000000 -0.0000000), wk = 0.0028249 k( 22) = ( 0.2625000 0.0000000 -0.0000000), wk = 0.0028249 k( 23) = ( 0.2750000 0.0000000 -0.0000000), wk = 0.0028249 k( 24) = ( 0.2875000 -0.0000000 -0.0000000), wk = 0.0028249 k( 25) = ( 0.3000000 0.0000000 -0.0000000), wk = 0.0028249 k( 26) = ( 0.3125000 -0.0000000 -0.0000000), wk = 0.0028249 k( 27) = ( 0.3250000 0.0000000 -0.0000000), wk = 0.0028249 k( 28) = ( 0.3375000 -0.0000000 -0.0000000), wk = 0.0028249 k( 29) = ( 0.3500000 0.0000000 0.0000000), wk = 0.0028249 k( 30) = ( 0.3625000 -0.0000000 0.0000000), wk = 0.0028249 k( 31) = ( 0.3750000 0.0000000 -0.0000000), wk = 0.0028249 k( 32) = ( 0.3875000 0.0000000 -0.0000000), wk = 0.0028249 k( 33) = ( 0.4000000 -0.0000000 -0.0000000), wk = 0.0028249 k( 34) = ( 0.4125000 0.0000000 -0.0000000), wk = 0.0028249 k( 35) = ( 0.4250000 -0.0000000 -0.0000000), wk = 0.0028249 k( 36) = ( 0.4375000 0.0000000 -0.0000000), wk = 0.0028249 k( 37) = ( 0.4500000 0.0000000 -0.0000000), wk = 0.0028249 k( 38) = ( 0.4625000 -0.0000000 -0.0000000), wk = 0.0028249 k( 39) = ( 0.4750000 0.0000000 -0.0000000), wk = 0.0028249 k( 40) = ( 0.4875000 -0.0000000 -0.0000000), wk = 0.0028249 k( 41) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0028249 k( 42) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0028249 k( 43) = ( 0.4930556 0.0138889 -0.0000000), wk = 0.0028249 k( 44) = ( 0.4861111 0.0277778 -0.0000000), wk = 0.0028249 k( 45) = ( 0.4791667 0.0416667 -0.0000000), wk = 0.0028249 k( 46) = ( 0.4722222 0.0555556 -0.0000000), wk = 0.0028249 k( 47) = ( 0.4652778 0.0694444 -0.0000000), wk = 0.0028249 k( 48) = ( 0.4583333 0.0833333 -0.0000000), wk = 0.0028249 k( 49) = ( 0.4513889 0.0972222 -0.0000000), wk = 0.0028249 k( 50) = ( 0.4444444 0.1111111 -0.0000000), wk = 0.0028249 k( 51) = ( 0.4375000 0.1250000 -0.0000000), wk = 0.0028249 k( 52) = ( 0.4305556 0.1388889 -0.0000000), wk = 0.0028249 k( 53) = ( 0.4236111 0.1527778 -0.0000000), wk = 0.0028249 k( 54) = ( 0.4166667 0.1666667 0.0000000), wk = 0.0028249 k( 55) = ( 0.4097222 0.1805556 -0.0000000), wk = 0.0028249 k( 56) = ( 0.4027778 0.1944444 -0.0000000), wk = 0.0028249 k( 57) = ( 0.3958333 0.2083333 -0.0000000), wk = 0.0028249 k( 58) = ( 0.3888889 0.2222222 -0.0000000), wk = 0.0028249 k( 59) = ( 0.3819444 0.2361111 -0.0000000), wk = 0.0028249 k( 60) = ( 0.3750000 0.2500000 -0.0000000), wk = 0.0028249 k( 61) = ( 0.3680556 0.2638889 -0.0000000), wk = 0.0028249 k( 62) = ( 0.3611111 0.2777778 -0.0000000), wk = 0.0028249 k( 63) = ( 0.3541667 0.2916667 -0.0000000), wk = 0.0028249 k( 64) = ( 0.3472222 0.3055556 -0.0000000), wk = 0.0028249 k( 65) = ( 0.3402778 0.3194444 0.0000000), wk = 0.0028249 k( 66) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0028249 k( 67) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0028249 k( 68) = ( 0.3262411 0.3262411 -0.0000000), wk = 0.0028249 k( 69) = ( 0.3191489 0.3191489 -0.0000000), wk = 0.0028249 k( 70) = ( 0.3120567 0.3120567 -0.0000000), wk = 0.0028249 k( 71) = ( 0.3049645 0.3049645 -0.0000000), wk = 0.0028249 k( 72) = ( 0.2978723 0.2978723 -0.0000000), wk = 0.0028249 k( 73) = ( 0.2907801 0.2907801 -0.0000000), wk = 0.0028249 k( 74) = ( 0.2836879 0.2836879 -0.0000000), wk = 0.0028249 k( 75) = ( 0.2765957 0.2765957 -0.0000000), wk = 0.0028249 k( 76) = ( 0.2695035 0.2695035 0.0000000), wk = 0.0028249 k( 77) = ( 0.2624113 0.2624113 -0.0000000), wk = 0.0028249 k( 78) = ( 0.2553191 0.2553191 -0.0000000), wk = 0.0028249 k( 79) = ( 0.2482270 0.2482270 -0.0000000), wk = 0.0028249 k( 80) = ( 0.2411348 0.2411347 -0.0000000), wk = 0.0028249 k( 81) = ( 0.2340425 0.2340425 -0.0000000), wk = 0.0028249 k( 82) = ( 0.2269503 0.2269503 -0.0000000), wk = 0.0028249 k( 83) = ( 0.2198582 0.2198582 -0.0000000), wk = 0.0028249 k( 84) = ( 0.2127660 0.2127660 -0.0000000), wk = 0.0028249 k( 85) = ( 0.2056738 0.2056738 -0.0000000), wk = 0.0028249 k( 86) = ( 0.1985816 0.1985816 -0.0000000), wk = 0.0028249 k( 87) = ( 0.1914894 0.1914894 0.0000000), wk = 0.0028249 k( 88) = ( 0.1843972 0.1843972 0.0000000), wk = 0.0028249 k( 89) = ( 0.1773050 0.1773050 -0.0000000), wk = 0.0028249 k( 90) = ( 0.1702128 0.1702128 -0.0000000), wk = 0.0028249 k( 91) = ( 0.1631206 0.1631206 -0.0000000), wk = 0.0028249 k( 92) = ( 0.1560284 0.1560284 -0.0000000), wk = 0.0028249 k( 93) = ( 0.1489362 0.1489362 -0.0000000), wk = 0.0028249 k( 94) = ( 0.1418440 0.1418440 -0.0000000), wk = 0.0028249 k( 95) = ( 0.1347518 0.1347518 -0.0000000), wk = 0.0028249 k( 96) = ( 0.1276596 0.1276596 -0.0000000), wk = 0.0028249 k( 97) = ( 0.1205674 0.1205674 -0.0000000), wk = 0.0028249 k( 98) = ( 0.1134752 0.1134752 -0.0000000), wk = 0.0028249 k( 99) = ( 0.1063830 0.1063830 -0.0000000), wk = 0.0028249 k( 100) = ( 0.0992908 0.0992908 -0.0000000), wk = 0.0028249 k( 101) = ( 0.0921986 0.0921986 0.0000000), wk = 0.0028249 k( 102) = ( 0.0851064 0.0851064 0.0000000), wk = 0.0028249 k( 103) = ( 0.0780142 0.0780142 0.0000000), wk = 0.0028249 k( 104) = ( 0.0709220 0.0709220 0.0000000), wk = 0.0028249 k( 105) = ( 0.0638298 0.0638298 -0.0000000), wk = 0.0028249 k( 106) = ( 0.0567376 0.0567376 -0.0000000), wk = 0.0028249 k( 107) = ( 0.0496454 0.0496454 -0.0000000), wk = 0.0028249 k( 108) = ( 0.0425532 0.0425532 0.0000000), wk = 0.0028249 k( 109) = ( 0.0354610 0.0354610 -0.0000000), wk = 0.0028249 k( 110) = ( 0.0283688 0.0283688 -0.0000000), wk = 0.0028249 k( 111) = ( 0.0212766 0.0212766 -0.0000000), wk = 0.0028249 k( 112) = ( 0.0141844 0.0141844 -0.0000000), wk = 0.0028249 k( 113) = ( 0.0070922 0.0070922 -0.0000000), wk = 0.0028249 k( 114) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028249 k( 115) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028249 k( 116) = ( 0.0000000 0.0000000 0.0121951), wk = 0.0028249 k( 117) = ( 0.0000000 0.0000000 0.0243902), wk = 0.0028249 k( 118) = ( 0.0000000 0.0000000 0.0365854), wk = 0.0028249 k( 119) = ( 0.0000000 0.0000000 0.0487805), wk = 0.0028249 k( 120) = ( 0.0000000 0.0000000 0.0609756), wk = 0.0028249 k( 121) = ( 0.0000000 0.0000000 0.0731707), wk = 0.0028249 k( 122) = ( 0.0000000 0.0000000 0.0853659), wk = 0.0028249 k( 123) = ( 0.0000000 0.0000000 0.0975610), wk = 0.0028249 k( 124) = ( 0.0000000 0.0000000 0.1097561), wk = 0.0028249 k( 125) = ( 0.0000000 0.0000000 0.1219512), wk = 0.0028249 k( 126) = ( 0.0000000 0.0000000 0.1341463), wk = 0.0028249 k( 127) = ( 0.0000000 0.0000000 0.1463415), wk = 0.0028249 k( 128) = ( 0.0000000 0.0000000 0.1585366), wk = 0.0028249 k( 129) = ( 0.0000000 0.0000000 0.1707317), wk = 0.0028249 k( 130) = ( 0.0000000 0.0000000 0.1829268), wk = 0.0028249 k( 131) = ( 0.0000000 0.0000000 0.1951220), wk = 0.0028249 k( 132) = ( 0.0000000 0.0000000 0.2073171), wk = 0.0028249 k( 133) = ( 0.0000000 0.0000000 0.2195122), wk = 0.0028249 k( 134) = ( 0.0000000 0.0000000 0.2317073), wk = 0.0028249 k( 135) = ( 0.0000000 0.0000000 0.2439024), wk = 0.0028249 k( 136) = ( 0.0000000 0.0000000 0.2560976), wk = 0.0028249 k( 137) = ( 0.0000000 0.0000000 0.2682927), wk = 0.0028249 k( 138) = ( 0.0000000 0.0000000 0.2804878), wk = 0.0028249 k( 139) = ( 0.0000000 0.0000000 0.2926829), wk = 0.0028249 k( 140) = ( 0.0000000 0.0000000 0.3048781), wk = 0.0028249 k( 141) = ( 0.0000000 0.0000000 0.3170732), wk = 0.0028249 k( 142) = ( 0.0000000 0.0000000 0.3292683), wk = 0.0028249 k( 143) = ( 0.0000000 0.0000000 0.3414634), wk = 0.0028249 k( 144) = ( 0.0000000 0.0000000 0.3536585), wk = 0.0028249 k( 145) = ( 0.0000000 0.0000000 0.3658537), wk = 0.0028249 k( 146) = ( 0.0000000 0.0000000 0.3780488), wk = 0.0028249 k( 147) = ( 0.0000000 0.0000000 0.3902439), wk = 0.0028249 k( 148) = ( 0.0000000 0.0000000 0.4024390), wk = 0.0028249 k( 149) = ( 0.0000000 0.0000000 0.4146342), wk = 0.0028249 k( 150) = ( 0.0000000 0.0000000 0.4268293), wk = 0.0028249 k( 151) = ( 0.0000000 0.0000000 0.4390244), wk = 0.0028249 k( 152) = ( 0.0000000 0.0000000 0.4512195), wk = 0.0028249 k( 153) = ( 0.0000000 0.0000000 0.4634146), wk = 0.0028249 k( 154) = ( 0.0000000 0.0000000 0.4756098), wk = 0.0028249 k( 155) = ( 0.0000000 0.0000000 0.4878049), wk = 0.0028249 k( 156) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028249 k( 157) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028249 k( 158) = ( 0.0125000 -0.0000000 0.5000000), wk = 0.0028249 k( 159) = ( 0.0250000 -0.0000000 0.5000000), wk = 0.0028249 k( 160) = ( 0.0375000 0.0000000 0.5000000), wk = 0.0028249 k( 161) = ( 0.0500000 -0.0000000 0.5000000), wk = 0.0028249 k( 162) = ( 0.0625000 0.0000000 0.5000000), wk = 0.0028249 k( 163) = ( 0.0750000 0.0000000 0.5000000), wk = 0.0028249 k( 164) = ( 0.0875000 0.0000000 0.5000000), wk = 0.0028249 k( 165) = ( 0.1000000 -0.0000000 0.5000000), wk = 0.0028249 k( 166) = ( 0.1125000 0.0000000 0.5000000), wk = 0.0028249 k( 167) = ( 0.1250000 0.0000000 0.5000000), wk = 0.0028249 k( 168) = ( 0.1375000 0.0000000 0.5000000), wk = 0.0028249 k( 169) = ( 0.1500000 0.0000000 0.5000000), wk = 0.0028249 k( 170) = ( 0.1625000 0.0000000 0.5000000), wk = 0.0028249 k( 171) = ( 0.1750000 0.0000000 0.5000000), wk = 0.0028249 k( 172) = ( 0.1875000 0.0000000 0.5000000), wk = 0.0028249 k( 173) = ( 0.2000000 -0.0000000 0.5000000), wk = 0.0028249 k( 174) = ( 0.2125000 -0.0000000 0.5000000), wk = 0.0028249 k( 175) = ( 0.2250000 0.0000000 0.5000000), wk = 0.0028249 k( 176) = ( 0.2375000 0.0000000 0.5000000), wk = 0.0028249 k( 177) = ( 0.2500000 0.0000000 0.5000000), wk = 0.0028249 k( 178) = ( 0.2625000 0.0000000 0.5000000), wk = 0.0028249 k( 179) = ( 0.2750000 0.0000000 0.5000000), wk = 0.0028249 k( 180) = ( 0.2875000 -0.0000000 0.5000000), wk = 0.0028249 k( 181) = ( 0.3000000 0.0000000 0.5000000), wk = 0.0028249 k( 182) = ( 0.3125000 -0.0000000 0.5000000), wk = 0.0028249 k( 183) = ( 0.3250000 0.0000000 0.5000000), wk = 0.0028249 k( 184) = ( 0.3375000 -0.0000000 0.5000000), wk = 0.0028249 k( 185) = ( 0.3500000 0.0000000 0.5000000), wk = 0.0028249 k( 186) = ( 0.3625000 -0.0000000 0.5000000), wk = 0.0028249 k( 187) = ( 0.3750000 0.0000000 0.5000000), wk = 0.0028249 k( 188) = ( 0.3875000 0.0000000 0.5000000), wk = 0.0028249 k( 189) = ( 0.4000000 -0.0000000 0.5000000), wk = 0.0028249 k( 190) = ( 0.4125000 0.0000000 0.5000000), wk = 0.0028249 k( 191) = ( 0.4250000 -0.0000000 0.5000000), wk = 0.0028249 k( 192) = ( 0.4375000 0.0000000 0.5000000), wk = 0.0028249 k( 193) = ( 0.4500000 0.0000000 0.5000000), wk = 0.0028249 k( 194) = ( 0.4625000 -0.0000000 0.5000000), wk = 0.0028249 k( 195) = ( 0.4750000 0.0000000 0.5000000), wk = 0.0028249 k( 196) = ( 0.4875000 -0.0000000 0.5000000), wk = 0.0028249 k( 197) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0028249 k( 198) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0028249 k( 199) = ( 0.4930556 0.0138889 0.5000000), wk = 0.0028249 k( 200) = ( 0.4861111 0.0277778 0.5000000), wk = 0.0028249 k( 201) = ( 0.4791667 0.0416667 0.5000000), wk = 0.0028249 k( 202) = ( 0.4722222 0.0555556 0.5000000), wk = 0.0028249 k( 203) = ( 0.4652778 0.0694444 0.5000000), wk = 0.0028249 k( 204) = ( 0.4583333 0.0833333 0.5000000), wk = 0.0028249 k( 205) = ( 0.4513889 0.0972222 0.5000000), wk = 0.0028249 k( 206) = ( 0.4444444 0.1111111 0.5000000), wk = 0.0028249 k( 207) = ( 0.4375000 0.1250000 0.5000000), wk = 0.0028249 k( 208) = ( 0.4305556 0.1388889 0.5000000), wk = 0.0028249 k( 209) = ( 0.4236111 0.1527778 0.5000000), wk = 0.0028249 k( 210) = ( 0.4166667 0.1666667 0.5000000), wk = 0.0028249 k( 211) = ( 0.4097222 0.1805556 0.5000000), wk = 0.0028249 k( 212) = ( 0.4027778 0.1944444 0.5000000), wk = 0.0028249 k( 213) = ( 0.3958333 0.2083333 0.5000000), wk = 0.0028249 k( 214) = ( 0.3888889 0.2222222 0.5000000), wk = 0.0028249 k( 215) = ( 0.3819444 0.2361111 0.5000000), wk = 0.0028249 k( 216) = ( 0.3750000 0.2500000 0.5000000), wk = 0.0028249 k( 217) = ( 0.3680556 0.2638889 0.5000000), wk = 0.0028249 k( 218) = ( 0.3611111 0.2777778 0.5000000), wk = 0.0028249 k( 219) = ( 0.3541667 0.2916667 0.5000000), wk = 0.0028249 k( 220) = ( 0.3472222 0.3055556 0.5000000), wk = 0.0028249 k( 221) = ( 0.3402778 0.3194444 0.5000000), wk = 0.0028249 k( 222) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0028249 k( 223) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0028249 k( 224) = ( 0.3262411 0.3262411 0.5000000), wk = 0.0028249 k( 225) = ( 0.3191489 0.3191489 0.5000000), wk = 0.0028249 k( 226) = ( 0.3120567 0.3120567 0.5000000), wk = 0.0028249 k( 227) = ( 0.3049645 0.3049645 0.5000000), wk = 0.0028249 k( 228) = ( 0.2978723 0.2978723 0.5000000), wk = 0.0028249 k( 229) = ( 0.2907801 0.2907801 0.5000000), wk = 0.0028249 k( 230) = ( 0.2836879 0.2836879 0.5000000), wk = 0.0028249 k( 231) = ( 0.2765957 0.2765957 0.5000000), wk = 0.0028249 k( 232) = ( 0.2695035 0.2695035 0.5000000), wk = 0.0028249 k( 233) = ( 0.2624113 0.2624113 0.5000000), wk = 0.0028249 k( 234) = ( 0.2553191 0.2553191 0.5000000), wk = 0.0028249 k( 235) = ( 0.2482270 0.2482270 0.5000000), wk = 0.0028249 k( 236) = ( 0.2411348 0.2411347 0.5000000), wk = 0.0028249 k( 237) = ( 0.2340425 0.2340425 0.5000000), wk = 0.0028249 k( 238) = ( 0.2269503 0.2269503 0.5000000), wk = 0.0028249 k( 239) = ( 0.2198582 0.2198582 0.5000000), wk = 0.0028249 k( 240) = ( 0.2127660 0.2127660 0.5000000), wk = 0.0028249 k( 241) = ( 0.2056738 0.2056738 0.5000000), wk = 0.0028249 k( 242) = ( 0.1985816 0.1985816 0.5000000), wk = 0.0028249 k( 243) = ( 0.1914894 0.1914894 0.5000000), wk = 0.0028249 k( 244) = ( 0.1843972 0.1843972 0.5000000), wk = 0.0028249 k( 245) = ( 0.1773050 0.1773050 0.5000000), wk = 0.0028249 k( 246) = ( 0.1702128 0.1702128 0.5000000), wk = 0.0028249 k( 247) = ( 0.1631206 0.1631206 0.5000000), wk = 0.0028249 k( 248) = ( 0.1560284 0.1560284 0.5000000), wk = 0.0028249 k( 249) = ( 0.1489362 0.1489362 0.5000000), wk = 0.0028249 k( 250) = ( 0.1418440 0.1418440 0.5000000), wk = 0.0028249 k( 251) = ( 0.1347518 0.1347518 0.5000000), wk = 0.0028249 k( 252) = ( 0.1276596 0.1276596 0.5000000), wk = 0.0028249 k( 253) = ( 0.1205674 0.1205674 0.5000000), wk = 0.0028249 k( 254) = ( 0.1134752 0.1134752 0.5000000), wk = 0.0028249 k( 255) = ( 0.1063830 0.1063830 0.5000000), wk = 0.0028249 k( 256) = ( 0.0992908 0.0992908 0.5000000), wk = 0.0028249 k( 257) = ( 0.0921986 0.0921986 0.5000000), wk = 0.0028249 k( 258) = ( 0.0851064 0.0851064 0.5000000), wk = 0.0028249 k( 259) = ( 0.0780142 0.0780142 0.5000000), wk = 0.0028249 k( 260) = ( 0.0709220 0.0709220 0.5000000), wk = 0.0028249 k( 261) = ( 0.0638298 0.0638298 0.5000000), wk = 0.0028249 k( 262) = ( 0.0567376 0.0567376 0.5000000), wk = 0.0028249 k( 263) = ( 0.0496454 0.0496454 0.5000000), wk = 0.0028249 k( 264) = ( 0.0425532 0.0425532 0.5000000), wk = 0.0028249 k( 265) = ( 0.0354610 0.0354610 0.5000000), wk = 0.0028249 k( 266) = ( 0.0283688 0.0283688 0.5000000), wk = 0.0028249 k( 267) = ( 0.0212766 0.0212766 0.5000000), wk = 0.0028249 k( 268) = ( 0.0141844 0.0141844 0.5000000), wk = 0.0028249 k( 269) = ( 0.0070922 0.0070922 0.5000000), wk = 0.0028249 k( 270) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028249 k( 271) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0028249 k( 272) = ( 0.5000000 0.0000000 0.4878049), wk = 0.0028249 k( 273) = ( 0.5000000 0.0000000 0.4756098), wk = 0.0028249 k( 274) = ( 0.5000000 0.0000000 0.4634146), wk = 0.0028249 k( 275) = ( 0.5000000 0.0000000 0.4512195), wk = 0.0028249 k( 276) = ( 0.5000000 0.0000000 0.4390244), wk = 0.0028249 k( 277) = ( 0.5000000 0.0000000 0.4268293), wk = 0.0028249 k( 278) = ( 0.5000000 0.0000000 0.4146342), wk = 0.0028249 k( 279) = ( 0.5000000 0.0000000 0.4024390), wk = 0.0028249 k( 280) = ( 0.5000000 0.0000000 0.3902439), wk = 0.0028249 k( 281) = ( 0.5000000 0.0000000 0.3780488), wk = 0.0028249 k( 282) = ( 0.5000000 0.0000000 0.3658537), wk = 0.0028249 k( 283) = ( 0.5000000 0.0000000 0.3536585), wk = 0.0028249 k( 284) = ( 0.5000000 0.0000000 0.3414634), wk = 0.0028249 k( 285) = ( 0.5000000 0.0000000 0.3292683), wk = 0.0028249 k( 286) = ( 0.5000000 0.0000000 0.3170732), wk = 0.0028249 k( 287) = ( 0.5000000 0.0000000 0.3048781), wk = 0.0028249 k( 288) = ( 0.5000000 0.0000000 0.2926829), wk = 0.0028249 k( 289) = ( 0.5000000 0.0000000 0.2804878), wk = 0.0028249 k( 290) = ( 0.5000000 0.0000000 0.2682927), wk = 0.0028249 k( 291) = ( 0.5000000 0.0000000 0.2560976), wk = 0.0028249 k( 292) = ( 0.5000000 0.0000000 0.2439024), wk = 0.0028249 k( 293) = ( 0.5000000 0.0000000 0.2317073), wk = 0.0028249 k( 294) = ( 0.5000000 0.0000000 0.2195122), wk = 0.0028249 k( 295) = ( 0.5000000 0.0000000 0.2073171), wk = 0.0028249 k( 296) = ( 0.5000000 0.0000000 0.1951219), wk = 0.0028249 k( 297) = ( 0.5000000 0.0000000 0.1829268), wk = 0.0028249 k( 298) = ( 0.5000000 0.0000000 0.1707317), wk = 0.0028249 k( 299) = ( 0.5000000 0.0000000 0.1585366), wk = 0.0028249 k( 300) = ( 0.5000000 0.0000000 0.1463415), wk = 0.0028249 k( 301) = ( 0.5000000 0.0000000 0.1341463), wk = 0.0028249 k( 302) = ( 0.5000000 0.0000000 0.1219512), wk = 0.0028249 k( 303) = ( 0.5000000 0.0000000 0.1097561), wk = 0.0028249 k( 304) = ( 0.5000000 0.0000000 0.0975610), wk = 0.0028249 k( 305) = ( 0.5000000 0.0000000 0.0853658), wk = 0.0028249 k( 306) = ( 0.5000000 0.0000000 0.0731707), wk = 0.0028249 k( 307) = ( 0.5000000 0.0000000 0.0609756), wk = 0.0028249 k( 308) = ( 0.5000000 0.0000000 0.0487805), wk = 0.0028249 k( 309) = ( 0.5000000 0.0000000 0.0365854), wk = 0.0028249 k( 310) = ( 0.5000000 0.0000000 0.0243902), wk = 0.0028249 k( 311) = ( 0.5000000 0.0000000 0.0121951), wk = 0.0028249 k( 312) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0028249 k( 313) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0028249 k( 314) = ( 0.3333333 0.3333333 0.0121951), wk = 0.0028249 k( 315) = ( 0.3333333 0.3333333 0.0243902), wk = 0.0028249 k( 316) = ( 0.3333333 0.3333333 0.0365854), wk = 0.0028249 k( 317) = ( 0.3333333 0.3333333 0.0487805), wk = 0.0028249 k( 318) = ( 0.3333333 0.3333333 0.0609756), wk = 0.0028249 k( 319) = ( 0.3333333 0.3333333 0.0731707), wk = 0.0028249 k( 320) = ( 0.3333333 0.3333333 0.0853658), wk = 0.0028249 k( 321) = ( 0.3333333 0.3333333 0.0975610), wk = 0.0028249 k( 322) = ( 0.3333333 0.3333333 0.1097561), wk = 0.0028249 k( 323) = ( 0.3333333 0.3333333 0.1219512), wk = 0.0028249 k( 324) = ( 0.3333333 0.3333333 0.1341463), wk = 0.0028249 k( 325) = ( 0.3333333 0.3333333 0.1463415), wk = 0.0028249 k( 326) = ( 0.3333333 0.3333333 0.1585366), wk = 0.0028249 k( 327) = ( 0.3333333 0.3333333 0.1707317), wk = 0.0028249 k( 328) = ( 0.3333333 0.3333333 0.1829268), wk = 0.0028249 k( 329) = ( 0.3333333 0.3333333 0.1951219), wk = 0.0028249 k( 330) = ( 0.3333333 0.3333333 0.2073171), wk = 0.0028249 k( 331) = ( 0.3333333 0.3333333 0.2195122), wk = 0.0028249 k( 332) = ( 0.3333333 0.3333333 0.2317073), wk = 0.0028249 k( 333) = ( 0.3333333 0.3333333 0.2439024), wk = 0.0028249 k( 334) = ( 0.3333333 0.3333333 0.2560976), wk = 0.0028249 k( 335) = ( 0.3333333 0.3333333 0.2682927), wk = 0.0028249 k( 336) = ( 0.3333333 0.3333333 0.2804878), wk = 0.0028249 k( 337) = ( 0.3333333 0.3333333 0.2926829), wk = 0.0028249 k( 338) = ( 0.3333333 0.3333333 0.3048781), wk = 0.0028249 k( 339) = ( 0.3333333 0.3333333 0.3170732), wk = 0.0028249 k( 340) = ( 0.3333333 0.3333333 0.3292683), wk = 0.0028249 k( 341) = ( 0.3333333 0.3333333 0.3414634), wk = 0.0028249 k( 342) = ( 0.3333333 0.3333333 0.3536585), wk = 0.0028249 k( 343) = ( 0.3333333 0.3333333 0.3658537), wk = 0.0028249 k( 344) = ( 0.3333333 0.3333333 0.3780488), wk = 0.0028249 k( 345) = ( 0.3333333 0.3333333 0.3902439), wk = 0.0028249 k( 346) = ( 0.3333333 0.3333333 0.4024390), wk = 0.0028249 k( 347) = ( 0.3333333 0.3333333 0.4146341), wk = 0.0028249 k( 348) = ( 0.3333333 0.3333333 0.4268293), wk = 0.0028249 k( 349) = ( 0.3333333 0.3333333 0.4390244), wk = 0.0028249 k( 350) = ( 0.3333333 0.3333333 0.4512195), wk = 0.0028249 k( 351) = ( 0.3333333 0.3333333 0.4634146), wk = 0.0028249 k( 352) = ( 0.3333333 0.3333333 0.4756098), wk = 0.0028249 k( 353) = ( 0.3333333 0.3333333 0.4878049), wk = 0.0028249 k( 354) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0028249 Dense grid: 66809 G-vectors FFT dimensions: ( 60, 60, 48) Smooth grid: 17749 G-vectors FFT dimensions: ( 36, 36, 32) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.09 Mb ( 130, 44) NL pseudopotentials 0.10 Mb ( 65, 102) Each V/rho on FFT grid 0.11 Mb ( 7200) Each G-vector array 0.01 Mb ( 1859) G-vector shells 0.01 Mb ( 839) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.35 Mb ( 130, 176) Each subspace H/S matrix 0.03 Mb ( 44, 44) Each matrix 0.14 Mb ( 102, 2, 44) The potential is recalculated from file : ./Hg.save/charge-density.dat Starting wfc are 54 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.1 secs Computing kpt #: 2 total cpu time spent up to now is 2.6 secs Computing kpt #: 3 total cpu time spent up to now is 3.1 secs Computing kpt #: 4 total cpu time spent up to now is 3.6 secs Computing kpt #: 5 total cpu time spent up to now is 4.1 secs Computing kpt #: 6 total cpu time spent up to now is 4.6 secs Computing kpt #: 7 total cpu time spent up to now is 5.1 secs Computing kpt #: 8 total cpu time spent up to now is 5.6 secs Computing kpt #: 9 total cpu time spent up to now is 6.0 secs Computing kpt #: 10 total cpu time spent up to now is 6.5 secs Computing kpt #: 11 total cpu time spent up to now is 6.9 secs Computing kpt #: 12 total cpu time spent up to now is 7.3 secs Computing kpt #: 13 total cpu time spent up to now is 7.8 secs Computing kpt #: 14 total cpu time spent up to now is 8.1 secs Computing kpt #: 15 total cpu time spent up to now is 8.6 secs Computing kpt #: 16 total cpu time spent up to now is 9.0 secs Computing kpt #: 17 total cpu time spent up to now is 9.4 secs Computing kpt #: 18 total cpu time spent up to now is 9.8 secs Computing kpt #: 19 total cpu time spent up to now is 10.2 secs Computing kpt #: 20 total cpu time spent up to now is 10.6 secs Computing kpt #: 21 total cpu time spent up to now is 11.0 secs Computing kpt #: 22 total cpu time spent up to now is 11.3 secs Computing kpt #: 23 total cpu time spent up to now is 11.7 secs Computing kpt #: 24 total cpu time spent up to now is 12.2 secs Computing kpt #: 25 total cpu time spent up to now is 12.6 secs Computing kpt #: 26 total cpu time spent up to now is 13.1 secs Computing kpt #: 27 total cpu time spent up to now is 13.6 secs Computing kpt #: 28 total cpu time spent up to now is 14.1 secs Computing kpt #: 29 total cpu time spent up to now is 14.6 secs Computing kpt #: 30 total cpu time spent up to now is 15.0 secs Computing kpt #: 31 total cpu time spent up to now is 15.4 secs Computing kpt #: 32 total cpu time spent up to now is 15.7 secs Computing kpt #: 33 total cpu time spent up to now is 16.1 secs Computing kpt #: 34 total cpu time spent up to now is 16.5 secs Computing kpt #: 35 total cpu time spent up to now is 16.8 secs Computing kpt #: 36 total cpu time spent up to now is 17.2 secs Computing kpt #: 37 total cpu time spent up to now is 17.6 secs Computing kpt #: 38 total cpu time spent up to now is 18.0 secs Computing kpt #: 39 total cpu time spent up to now is 18.4 secs Computing kpt #: 40 total cpu time spent up to now is 18.8 secs Computing kpt #: 41 total cpu time spent up to now is 19.1 secs Computing kpt #: 42 total cpu time spent up to now is 19.5 secs Computing kpt #: 43 total cpu time spent up to now is 19.9 secs Computing kpt #: 44 total cpu time spent up to now is 20.3 secs Computing kpt #: 45 total cpu time spent up to now is 20.7 secs Computing kpt #: 46 total cpu time spent up to now is 21.1 secs Computing kpt #: 47 total cpu time spent up to now is 21.5 secs Computing kpt #: 48 total cpu time spent up to now is 21.9 secs Computing kpt #: 49 total cpu time spent up to now is 22.4 secs Computing kpt #: 50 total cpu time spent up to now is 22.8 secs Computing kpt #: 51 total cpu time spent up to now is 23.2 secs Computing kpt #: 52 total cpu time spent up to now is 23.7 secs Computing kpt #: 53 total cpu time spent up to now is 24.1 secs Computing kpt #: 54 total cpu time spent up to now is 24.6 secs Computing kpt #: 55 total cpu time spent up to now is 25.0 secs Computing kpt #: 56 total cpu time spent up to now is 25.5 secs Computing kpt #: 57 total cpu time spent up to now is 25.9 secs Computing kpt #: 58 total cpu time spent up to now is 26.3 secs Computing kpt #: 59 total cpu time spent up to now is 26.7 secs Computing kpt #: 60 total cpu time spent up to now is 27.1 secs Computing kpt #: 61 total cpu time spent up to now is 27.6 secs Computing kpt #: 62 total cpu time spent up to now is 28.1 secs Computing kpt #: 63 total cpu time spent up to now is 28.7 secs Computing kpt #: 64 total cpu time spent up to now is 29.2 secs Computing kpt #: 65 total cpu time spent up to now is 30.1 secs Computing kpt #: 66 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 31.1 secs Computing kpt #: 67 total cpu time spent up to now is 31.8 secs Computing kpt #: 68 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 32.8 secs Computing kpt #: 69 total cpu time spent up to now is 33.5 secs Computing kpt #: 70 total cpu time spent up to now is 34.2 secs Computing kpt #: 71 total cpu time spent up to now is 34.7 secs Computing kpt #: 72 total cpu time spent up to now is 35.3 secs Computing kpt #: 73 total cpu time spent up to now is 35.8 secs Computing kpt #: 74 total cpu time spent up to now is 36.4 secs Computing kpt #: 75 total cpu time spent up to now is 36.9 secs Computing kpt #: 76 total cpu time spent up to now is 37.4 secs Computing kpt #: 77 total cpu time spent up to now is 37.9 secs Computing kpt #: 78 total cpu time spent up to now is 38.5 secs Computing kpt #: 79 total cpu time spent up to now is 39.0 secs Computing kpt #: 80 total cpu time spent up to now is 39.5 secs Computing kpt #: 81 total cpu time spent up to now is 40.0 secs Computing kpt #: 82 total cpu time spent up to now is 40.5 secs Computing kpt #: 83 total cpu time spent up to now is 41.0 secs Computing kpt #: 84 total cpu time spent up to now is 41.4 secs Computing kpt #: 85 total cpu time spent up to now is 41.9 secs Computing kpt #: 86 total cpu time spent up to now is 42.3 secs Computing kpt #: 87 total cpu time spent up to now is 42.6 secs Computing kpt #: 88 total cpu time spent up to now is 43.0 secs Computing kpt #: 89 total cpu time spent up to now is 43.4 secs Computing kpt #: 90 total cpu time spent up to now is 43.8 secs Computing kpt #: 91 total cpu time spent up to now is 44.2 secs Computing kpt #: 92 total cpu time spent up to now is 44.5 secs Computing kpt #: 93 total cpu time spent up to now is 44.9 secs Computing kpt #: 94 total cpu time spent up to now is 45.3 secs Computing kpt #: 95 total cpu time spent up to now is 45.7 secs Computing kpt #: 96 total cpu time spent up to now is 46.0 secs Computing kpt #: 97 total cpu time spent up to now is 46.4 secs Computing kpt #: 98 total cpu time spent up to now is 46.8 secs Computing kpt #: 99 total cpu time spent up to now is 47.2 secs Computing kpt #: 100 total cpu time spent up to now is 47.6 secs Computing kpt #: 101 total cpu time spent up to now is 48.0 secs Computing kpt #: 102 total cpu time spent up to now is 48.4 secs Computing kpt #: 103 total cpu time spent up to now is 48.8 secs Computing kpt #: 104 total cpu time spent up to now is 49.2 secs Computing kpt #: 105 total cpu time spent up to now is 49.6 secs Computing kpt #: 106 total cpu time spent up to now is 50.1 secs Computing kpt #: 107 total cpu time spent up to now is 50.6 secs Computing kpt #: 108 total cpu time spent up to now is 51.0 secs Computing kpt #: 109 total cpu time spent up to now is 51.4 secs Computing kpt #: 110 total cpu time spent up to now is 51.9 secs Computing kpt #: 111 total cpu time spent up to now is 52.4 secs Computing kpt #: 112 total cpu time spent up to now is 52.9 secs Computing kpt #: 113 total cpu time spent up to now is 53.4 secs Computing kpt #: 114 total cpu time spent up to now is 53.8 secs Computing kpt #: 115 total cpu time spent up to now is 54.3 secs Computing kpt #: 116 total cpu time spent up to now is 54.7 secs Computing kpt #: 117 total cpu time spent up to now is 55.1 secs Computing kpt #: 118 total cpu time spent up to now is 55.5 secs Computing kpt #: 119 total cpu time spent up to now is 56.0 secs Computing kpt #: 120 total cpu time spent up to now is 56.4 secs Computing kpt #: 121 total cpu time spent up to now is 56.8 secs Computing kpt #: 122 total cpu time spent up to now is 57.3 secs Computing kpt #: 123 total cpu time spent up to now is 57.8 secs Computing kpt #: 124 total cpu time spent up to now is 58.2 secs Computing kpt #: 125 total cpu time spent up to now is 58.7 secs Computing kpt #: 126 total cpu time spent up to now is 59.1 secs Computing kpt #: 127 total cpu time spent up to now is 59.5 secs Computing kpt #: 128 total cpu time spent up to now is 59.9 secs Computing kpt #: 129 total cpu time spent up to now is 60.3 secs Computing kpt #: 130 total cpu time spent up to now is 60.8 secs Computing kpt #: 131 total cpu time spent up to now is 61.1 secs Computing kpt #: 132 total cpu time spent up to now is 61.5 secs Computing kpt #: 133 total cpu time spent up to now is 61.9 secs Computing kpt #: 134 total cpu time spent up to now is 62.3 secs Computing kpt #: 135 total cpu time spent up to now is 62.6 secs Computing kpt #: 136 total cpu time spent up to now is 63.0 secs Computing kpt #: 137 total cpu time spent up to now is 63.4 secs Computing kpt #: 138 total cpu time spent up to now is 63.8 secs Computing kpt #: 139 total cpu time spent up to now is 64.1 secs Computing kpt #: 140 total cpu time spent up to now is 64.5 secs Computing kpt #: 141 total cpu time spent up to now is 64.9 secs Computing kpt #: 142 total cpu time spent up to now is 65.2 secs Computing kpt #: 143 total cpu time spent up to now is 65.6 secs Computing kpt #: 144 total cpu time spent up to now is 66.0 secs Computing kpt #: 145 total cpu time spent up to now is 66.3 secs Computing kpt #: 146 total cpu time spent up to now is 66.7 secs Computing kpt #: 147 total cpu time spent up to now is 67.1 secs Computing kpt #: 148 total cpu time spent up to now is 67.4 secs Computing kpt #: 149 total cpu time spent up to now is 67.8 secs Computing kpt #: 150 total cpu time spent up to now is 68.2 secs Computing kpt #: 151 total cpu time spent up to now is 68.6 secs Computing kpt #: 152 total cpu time spent up to now is 69.0 secs Computing kpt #: 153 total cpu time spent up to now is 69.5 secs Computing kpt #: 154 total cpu time spent up to now is 69.9 secs Computing kpt #: 155 total cpu time spent up to now is 70.4 secs Computing kpt #: 156 total cpu time spent up to now is 70.8 secs Computing kpt #: 157 total cpu time spent up to now is 71.1 secs Computing kpt #: 158 total cpu time spent up to now is 71.6 secs Computing kpt #: 159 total cpu time spent up to now is 72.0 secs Computing kpt #: 160 total cpu time spent up to now is 72.4 secs Computing kpt #: 161 total cpu time spent up to now is 72.8 secs Computing kpt #: 162 total cpu time spent up to now is 73.3 secs Computing kpt #: 163 total cpu time spent up to now is 73.8 secs Computing kpt #: 164 total cpu time spent up to now is 74.4 secs Computing kpt #: 165 total cpu time spent up to now is 75.0 secs Computing kpt #: 166 total cpu time spent up to now is 75.6 secs Computing kpt #: 167 total cpu time spent up to now is 76.3 secs Computing kpt #: 168 total cpu time spent up to now is 76.8 secs Computing kpt #: 169 total cpu time spent up to now is 77.4 secs Computing kpt #: 170 total cpu time spent up to now is 77.9 secs Computing kpt #: 171 total cpu time spent up to now is 78.4 secs Computing kpt #: 172 total cpu time spent up to now is 78.9 secs Computing kpt #: 173 total cpu time spent up to now is 79.4 secs Computing kpt #: 174 total cpu time spent up to now is 79.9 secs Computing kpt #: 175 total cpu time spent up to now is 80.3 secs Computing kpt #: 176 total cpu time spent up to now is 80.7 secs Computing kpt #: 177 total cpu time spent up to now is 81.1 secs Computing kpt #: 178 total cpu time spent up to now is 81.6 secs Computing kpt #: 179 total cpu time spent up to now is 82.0 secs Computing kpt #: 180 total cpu time spent up to now is 82.4 secs Computing kpt #: 181 total cpu time spent up to now is 82.7 secs Computing kpt #: 182 total cpu time spent up to now is 83.1 secs Computing kpt #: 183 total cpu time spent up to now is 83.5 secs Computing kpt #: 184 total cpu time spent up to now is 83.8 secs Computing kpt #: 185 total cpu time spent up to now is 84.2 secs Computing kpt #: 186 total cpu time spent up to now is 84.5 secs Computing kpt #: 187 total cpu time spent up to now is 84.9 secs Computing kpt #: 188 total cpu time spent up to now is 85.2 secs Computing kpt #: 189 total cpu time spent up to now is 85.6 secs Computing kpt #: 190 total cpu time spent up to now is 85.9 secs Computing kpt #: 191 total cpu time spent up to now is 86.3 secs Computing kpt #: 192 total cpu time spent up to now is 86.6 secs Computing kpt #: 193 total cpu time spent up to now is 87.0 secs Computing kpt #: 194 total cpu time spent up to now is 87.4 secs Computing kpt #: 195 total cpu time spent up to now is 87.7 secs Computing kpt #: 196 total cpu time spent up to now is 88.1 secs Computing kpt #: 197 total cpu time spent up to now is 88.4 secs Computing kpt #: 198 total cpu time spent up to now is 88.8 secs Computing kpt #: 199 total cpu time spent up to now is 89.1 secs Computing kpt #: 200 total cpu time spent up to now is 89.5 secs Computing kpt #: 201 total cpu time spent up to now is 89.8 secs Computing kpt #: 202 total cpu time spent up to now is 90.1 secs Computing kpt #: 203 total cpu time spent up to now is 90.5 secs Computing kpt #: 204 total cpu time spent up to now is 90.8 secs Computing kpt #: 205 total cpu time spent up to now is 91.2 secs Computing kpt #: 206 total cpu time spent up to now is 91.6 secs Computing kpt #: 207 total cpu time spent up to now is 91.9 secs Computing kpt #: 208 total cpu time spent up to now is 92.3 secs Computing kpt #: 209 total cpu time spent up to now is 92.6 secs Computing kpt #: 210 total cpu time spent up to now is 93.0 secs Computing kpt #: 211 total cpu time spent up to now is 93.3 secs Computing kpt #: 212 total cpu time spent up to now is 93.7 secs Computing kpt #: 213 total cpu time spent up to now is 94.0 secs Computing kpt #: 214 total cpu time spent up to now is 94.4 secs Computing kpt #: 215 total cpu time spent up to now is 94.8 secs Computing kpt #: 216 total cpu time spent up to now is 95.2 secs Computing kpt #: 217 total cpu time spent up to now is 95.5 secs Computing kpt #: 218 total cpu time spent up to now is 96.0 secs Computing kpt #: 219 total cpu time spent up to now is 96.4 secs Computing kpt #: 220 total cpu time spent up to now is 96.9 secs Computing kpt #: 221 total cpu time spent up to now is 97.4 secs Computing kpt #: 222 total cpu time spent up to now is 97.9 secs Computing kpt #: 223 total cpu time spent up to now is 98.3 secs Computing kpt #: 224 total cpu time spent up to now is 98.9 secs Computing kpt #: 225 total cpu time spent up to now is 99.4 secs Computing kpt #: 226 total cpu time spent up to now is 99.8 secs Computing kpt #: 227 total cpu time spent up to now is 100.3 secs Computing kpt #: 228 total cpu time spent up to now is 100.7 secs Computing kpt #: 229 total cpu time spent up to now is 101.1 secs Computing kpt #: 230 total cpu time spent up to now is 101.5 secs Computing kpt #: 231 total cpu time spent up to now is 101.9 secs Computing kpt #: 232 total cpu time spent up to now is 102.4 secs Computing kpt #: 233 total cpu time spent up to now is 102.8 secs Computing kpt #: 234 total cpu time spent up to now is 103.2 secs Computing kpt #: 235 total cpu time spent up to now is 103.6 secs Computing kpt #: 236 total cpu time spent up to now is 104.0 secs Computing kpt #: 237 total cpu time spent up to now is 104.4 secs Computing kpt #: 238 total cpu time spent up to now is 104.8 secs Computing kpt #: 239 total cpu time spent up to now is 105.2 secs Computing kpt #: 240 total cpu time spent up to now is 105.6 secs Computing kpt #: 241 total cpu time spent up to now is 105.9 secs Computing kpt #: 242 total cpu time spent up to now is 106.3 secs Computing kpt #: 243 total cpu time spent up to now is 106.7 secs Computing kpt #: 244 total cpu time spent up to now is 107.1 secs Computing kpt #: 245 total cpu time spent up to now is 107.5 secs Computing kpt #: 246 total cpu time spent up to now is 107.8 secs Computing kpt #: 247 total cpu time spent up to now is 108.2 secs Computing kpt #: 248 total cpu time spent up to now is 108.6 secs Computing kpt #: 249 total cpu time spent up to now is 108.9 secs Computing kpt #: 250 total cpu time spent up to now is 109.3 secs Computing kpt #: 251 total cpu time spent up to now is 109.7 secs Computing kpt #: 252 total cpu time spent up to now is 110.1 secs Computing kpt #: 253 total cpu time spent up to now is 110.4 secs Computing kpt #: 254 total cpu time spent up to now is 110.8 secs Computing kpt #: 255 total cpu time spent up to now is 111.2 secs Computing kpt #: 256 total cpu time spent up to now is 111.6 secs Computing kpt #: 257 total cpu time spent up to now is 112.1 secs Computing kpt #: 258 total cpu time spent up to now is 112.5 secs Computing kpt #: 259 total cpu time spent up to now is 113.0 secs Computing kpt #: 260 total cpu time spent up to now is 113.5 secs Computing kpt #: 261 total cpu time spent up to now is 114.1 secs Computing kpt #: 262 total cpu time spent up to now is 114.6 secs Computing kpt #: 263 total cpu time spent up to now is 115.3 secs Computing kpt #: 264 total cpu time spent up to now is 115.9 secs Computing kpt #: 265 total cpu time spent up to now is 116.4 secs Computing kpt #: 266 total cpu time spent up to now is 116.8 secs Computing kpt #: 267 total cpu time spent up to now is 117.2 secs Computing kpt #: 268 total cpu time spent up to now is 117.6 secs Computing kpt #: 269 total cpu time spent up to now is 118.1 secs Computing kpt #: 270 total cpu time spent up to now is 118.4 secs Computing kpt #: 271 total cpu time spent up to now is 118.8 secs Computing kpt #: 272 total cpu time spent up to now is 119.1 secs Computing kpt #: 273 total cpu time spent up to now is 119.5 secs Computing kpt #: 274 total cpu time spent up to now is 119.9 secs Computing kpt #: 275 total cpu time spent up to now is 120.2 secs Computing kpt #: 276 total cpu time spent up to now is 120.6 secs Computing kpt #: 277 total cpu time spent up to now is 121.0 secs Computing kpt #: 278 total cpu time spent up to now is 121.4 secs Computing kpt #: 279 total cpu time spent up to now is 121.8 secs Computing kpt #: 280 total cpu time spent up to now is 122.2 secs Computing kpt #: 281 total cpu time spent up to now is 122.6 secs Computing kpt #: 282 total cpu time spent up to now is 122.9 secs Computing kpt #: 283 total cpu time spent up to now is 123.3 secs Computing kpt #: 284 total cpu time spent up to now is 123.6 secs Computing kpt #: 285 total cpu time spent up to now is 124.0 secs Computing kpt #: 286 total cpu time spent up to now is 124.4 secs Computing kpt #: 287 total cpu time spent up to now is 124.7 secs Computing kpt #: 288 total cpu time spent up to now is 125.1 secs Computing kpt #: 289 total cpu time spent up to now is 125.5 secs Computing kpt #: 290 total cpu time spent up to now is 125.8 secs Computing kpt #: 291 total cpu time spent up to now is 126.2 secs Computing kpt #: 292 total cpu time spent up to now is 126.5 secs Computing kpt #: 293 total cpu time spent up to now is 126.9 secs Computing kpt #: 294 total cpu time spent up to now is 127.2 secs Computing kpt #: 295 total cpu time spent up to now is 127.6 secs Computing kpt #: 296 total cpu time spent up to now is 127.9 secs Computing kpt #: 297 total cpu time spent up to now is 128.3 secs Computing kpt #: 298 total cpu time spent up to now is 128.6 secs Computing kpt #: 299 total cpu time spent up to now is 129.0 secs Computing kpt #: 300 total cpu time spent up to now is 129.3 secs Computing kpt #: 301 total cpu time spent up to now is 129.7 secs Computing kpt #: 302 total cpu time spent up to now is 130.0 secs Computing kpt #: 303 total cpu time spent up to now is 130.4 secs Computing kpt #: 304 total cpu time spent up to now is 130.7 secs Computing kpt #: 305 total cpu time spent up to now is 131.1 secs Computing kpt #: 306 total cpu time spent up to now is 131.6 secs Computing kpt #: 307 total cpu time spent up to now is 132.0 secs Computing kpt #: 308 total cpu time spent up to now is 132.4 secs Computing kpt #: 309 total cpu time spent up to now is 132.8 secs Computing kpt #: 310 total cpu time spent up to now is 133.2 secs Computing kpt #: 311 total cpu time spent up to now is 133.6 secs Computing kpt #: 312 total cpu time spent up to now is 134.0 secs Computing kpt #: 313 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 134.9 secs Computing kpt #: 314 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 136.0 secs Computing kpt #: 315 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 137.0 secs Computing kpt #: 316 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 138.0 secs Computing kpt #: 317 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 139.0 secs Computing kpt #: 318 total cpu time spent up to now is 139.9 secs Computing kpt #: 319 total cpu time spent up to now is 140.7 secs Computing kpt #: 320 total cpu time spent up to now is 141.5 secs Computing kpt #: 321 total cpu time spent up to now is 142.4 secs Computing kpt #: 322 total cpu time spent up to now is 143.3 secs Computing kpt #: 323 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 144.3 secs Computing kpt #: 324 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 145.3 secs Computing kpt #: 325 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 146.2 secs Computing kpt #: 326 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 147.2 secs Computing kpt #: 327 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 148.2 secs Computing kpt #: 328 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 149.2 secs Computing kpt #: 329 total cpu time spent up to now is 150.0 secs Computing kpt #: 330 total cpu time spent up to now is 150.8 secs Computing kpt #: 331 total cpu time spent up to now is 151.6 secs Computing kpt #: 332 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 152.6 secs Computing kpt #: 333 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 153.5 secs Computing kpt #: 334 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 154.5 secs Computing kpt #: 335 total cpu time spent up to now is 155.3 secs Computing kpt #: 336 total cpu time spent up to now is 156.2 secs Computing kpt #: 337 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 157.1 secs Computing kpt #: 338 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 158.1 secs Computing kpt #: 339 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 159.0 secs Computing kpt #: 340 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 160.0 secs Computing kpt #: 341 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 161.0 secs Computing kpt #: 342 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 161.9 secs Computing kpt #: 343 total cpu time spent up to now is 162.8 secs Computing kpt #: 344 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 163.7 secs Computing kpt #: 345 total cpu time spent up to now is 164.5 secs Computing kpt #: 346 total cpu time spent up to now is 165.0 secs Computing kpt #: 347 total cpu time spent up to now is 165.7 secs Computing kpt #: 348 total cpu time spent up to now is 166.3 secs Computing kpt #: 349 total cpu time spent up to now is 167.0 secs Computing kpt #: 350 total cpu time spent up to now is 167.7 secs Computing kpt #: 351 total cpu time spent up to now is 168.2 secs Computing kpt #: 352 total cpu time spent up to now is 168.7 secs Computing kpt #: 353 total cpu time spent up to now is 169.2 secs Computing kpt #: 354 total cpu time spent up to now is 169.7 secs ethr = 2.78E-08, avg # of iterations = 41.3 total cpu time spent up to now is 169.7 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2217 PWs) bands (ev): 2.2875 2.2875 3.4380 3.4380 3.7134 3.7134 3.7293 3.7293 3.7309 3.7309 4.2449 4.2449 4.3697 4.3697 4.9018 4.9018 5.2652 5.2652 5.3767 5.3767 5.8069 5.8069 5.9643 5.9643 5.9838 5.9838 6.1753 6.1753 6.3868 6.3868 6.9527 6.9527 12.7637 12.7637 13.9510 13.9510 15.0268 15.0268 15.2839 15.2839 16.0379 16.0379 16.3225 16.3225 k = 0.0125 0.0072-0.0000 ( 2217 PWs) bands (ev): 2.2891 2.2891 3.4373 3.4373 3.7121 3.7121 3.7299 3.7299 3.7306 3.7306 4.2446 4.2446 4.3695 4.3695 4.9016 4.9016 5.2677 5.2677 5.3771 5.3771 5.8073 5.8073 5.9632 5.9632 5.9841 5.9841 6.1767 6.1767 6.3866 6.3866 6.9518 6.9518 12.7596 12.7596 13.9533 13.9533 14.9669 14.9669 15.3082 15.3082 15.9725 15.9725 16.4081 16.4081 k = 0.0250 0.0144-0.0000 ( 2217 PWs) bands (ev): 2.2940 2.2940 3.4351 3.4351 3.7081 3.7081 3.7300 3.7300 3.7314 3.7314 4.2436 4.2436 4.3691 4.3691 4.9009 4.9009 5.2749 5.2749 5.3783 5.3783 5.8087 5.8087 5.9602 5.9602 5.9848 5.9848 6.1806 6.1806 6.3859 6.3859 6.9489 6.9489 12.7470 12.7470 13.9597 13.9597 14.8335 14.8335 15.3351 15.3351 15.8700 15.8700 16.5681 16.5681 k = 0.0375 0.0217-0.0000 ( 2217 PWs) bands (ev): 2.3020 2.3020 3.4317 3.4317 3.7015 3.7015 3.7289 3.7289 3.7339 3.7339 4.2420 4.2420 4.3684 4.3684 4.9000 4.9000 5.2867 5.2867 5.3803 5.3803 5.8110 5.8110 5.9556 5.9556 5.9860 5.9860 6.1869 6.1869 6.3848 6.3848 6.9441 6.9441 12.7255 12.7255 13.9696 13.9696 14.6696 14.6696 15.3215 15.3215 15.7981 15.7981 16.6941 16.6941 k = 0.0500 0.0289-0.0000 ( 2213 PWs) bands (ev): 2.3133 2.3133 3.4268 3.4268 3.6927 3.6927 3.7274 3.7274 3.7372 3.7372 4.2396 4.2396 4.3675 4.3675 4.8994 4.8994 5.3024 5.3024 5.3832 5.3832 5.8140 5.8140 5.9499 5.9499 5.9875 5.9875 6.1951 6.1951 6.3833 6.3833 6.9376 6.9376 12.6944 12.6944 13.9811 13.9811 14.4937 14.4937 15.2568 15.2568 15.7752 15.7752 16.8295 16.8295 k = 0.0625 0.0361-0.0000 ( 2213 PWs) bands (ev): 2.3277 2.3277 3.4207 3.4207 3.6816 3.6816 3.7255 3.7255 3.7415 3.7415 4.2365 4.2365 4.3663 4.3663 4.8992 4.8992 5.3215 5.3215 5.3872 5.3872 5.8175 5.8175 5.9435 5.9435 5.9893 5.9893 6.2050 6.2050 6.3815 6.3815 6.9294 6.9294 12.6525 12.6525 13.9895 13.9895 14.3186 14.3186 15.1578 15.1578 15.7913 15.7913 16.9793 16.9793 k = 0.0750 0.0433-0.0000 ( 2221 PWs) bands (ev): 2.3452 2.3452 3.4132 3.4132 3.6685 3.6685 3.7233 3.7233 3.7466 3.7466 4.2326 4.2326 4.3650 4.3650 4.8998 4.8998 5.3429 5.3429 5.3926 5.3926 5.8213 5.8213 5.9372 5.9372 5.9912 5.9912 6.2161 6.2161 6.3795 6.3795 6.9197 6.9197 12.5980 12.5980 13.9767 13.9767 14.1670 14.1670 15.0455 15.0455 15.8307 15.8307 17.1386 17.1386 k = 0.0875 0.0505-0.0000 ( 2221 PWs) bands (ev): 2.3657 2.3657 3.4046 3.4046 3.6536 3.6536 3.7207 3.7207 3.7525 3.7525 4.2280 4.2280 4.3635 4.3635 4.9014 4.9014 5.3648 5.3648 5.4008 5.4008 5.8248 5.8248 5.9317 5.9317 5.9930 5.9930 6.2281 6.2281 6.3772 6.3772 6.9086 6.9086 12.5289 12.5289 13.8899 13.8899 14.0935 14.0935 14.9348 14.9348 15.8845 15.8845 17.3041 17.3041 k = 0.1000 0.0577-0.0000 ( 2219 PWs) bands (ev): 2.3892 2.3892 3.3948 3.3948 3.6370 3.6370 3.7178 3.7178 3.7593 3.7593 4.2228 4.2228 4.3620 4.3620 4.9042 4.9042 5.3832 5.3832 5.4155 5.4155 5.8275 5.8275 5.9278 5.9278 5.9946 5.9946 6.2409 6.2409 6.3749 6.3749 6.8964 6.8964 12.4429 12.4429 13.7512 13.7512 14.0748 14.0748 14.8363 14.8363 15.9488 15.9488 17.4740 17.4740 k = 0.1125 0.0650-0.0000 ( 2219 PWs) bands (ev): 2.4155 2.4155 3.3840 3.3840 3.6191 3.6191 3.7146 3.7146 3.7670 3.7670 4.2170 4.2170 4.3604 4.3604 4.9080 4.9080 5.3953 5.3953 5.4388 5.4388 5.8289 5.8289 5.9263 5.9263 5.9957 5.9957 6.2542 6.2542 6.3726 6.3726 6.8833 6.8833 12.3379 12.3379 13.6135 13.6135 14.0536 14.0536 14.7606 14.7606 16.0218 16.0218 17.6469 17.6469 k = 0.1250 0.0722-0.0000 ( 2223 PWs) bands (ev): 2.4445 2.4445 3.3720 3.3720 3.6001 3.6001 3.7111 3.7111 3.7754 3.7754 4.2110 4.2110 4.3589 4.3589 4.9128 4.9128 5.4043 5.4043 5.4671 5.4671 5.8284 5.8284 5.9279 5.9279 5.9962 5.9962 6.2678 6.2678 6.3705 6.3705 6.8695 6.8695 12.2132 12.2132 13.4901 13.4901 14.0108 14.0108 14.7169 14.7169 16.1022 16.1022 17.8219 17.8219 k = 0.1375 0.0794-0.0000 ( 2225 PWs) bands (ev): 2.4761 2.4761 3.3591 3.3591 3.5804 3.5804 3.7074 3.7074 3.7847 3.7847 4.2047 4.2047 4.3574 4.3574 4.9185 4.9185 5.4125 5.4125 5.4977 5.4977 5.8262 5.8262 5.9326 5.9326 5.9960 5.9960 6.2816 6.2816 6.3689 6.3689 6.8551 6.8551 12.0694 12.0694 13.3838 13.3838 13.9414 13.9414 14.7079 14.7079 16.1895 16.1895 17.9984 17.9984 k = 0.1500 0.0866-0.0000 ( 2223 PWs) bands (ev): 2.5102 2.5102 3.3453 3.3453 3.5601 3.5601 3.7035 3.7035 3.7946 3.7946 4.1985 4.1985 4.3561 4.3561 4.9249 4.9249 5.4207 5.4207 5.5290 5.5290 5.8229 5.8229 5.9401 5.9401 5.9948 5.9948 6.2954 6.2954 6.3678 6.3678 6.8405 6.8405 11.9088 11.9088 13.2941 13.2941 13.8495 13.8495 14.7292 14.7292 16.2830 16.2830 18.1760 18.1760 k = 0.1625 0.0938-0.0000 ( 2223 PWs) bands (ev): 2.5464 2.5464 3.3305 3.3305 3.5396 3.5396 3.6994 3.6994 3.8053 3.8053 4.1926 4.1926 4.3549 4.3549 4.9316 4.9316 5.4293 5.4293 5.5602 5.5602 5.8192 5.8192 5.9499 5.9499 5.9928 5.9928 6.3091 6.3091 6.3677 6.3677 6.8259 6.8259 11.7347 11.7347 13.2188 13.2188 13.7424 13.7424 14.7733 14.7733 16.3823 16.3823 18.3541 18.3541 k = 0.1750 0.1010-0.0000 ( 2219 PWs) bands (ev): 2.5846 2.5846 3.3148 3.3148 3.5193 3.5193 3.6951 3.6951 3.8167 3.8167 4.1871 4.1871 4.3541 4.3541 4.9385 4.9385 5.4381 5.4381 5.5902 5.5902 5.8162 5.8162 5.9615 5.9615 5.9900 5.9900 6.3222 6.3222 6.3688 6.3688 6.8114 6.8114 11.5503 11.5503 13.1552 13.1552 13.6263 13.6263 14.8339 14.8339 16.4868 16.4868 18.5324 18.5324 k = 0.1875 0.1083-0.0000 ( 2219 PWs) bands (ev): 2.6244 2.6244 3.2982 3.2982 3.4995 3.4995 3.6907 3.6907 3.8287 3.8287 4.1823 4.1823 4.3535 4.3535 4.9454 4.9454 5.4473 5.4473 5.6176 5.6176 5.8149 5.8149 5.9745 5.9745 5.9866 5.9866 6.3344 6.3344 6.3718 6.3718 6.7972 6.7972 11.3587 11.3587 13.1011 13.1011 13.5054 13.5054 14.9068 14.9068 16.5960 16.5960 18.7101 18.7101 k = 0.2000 0.1155-0.0000 ( 2221 PWs) bands (ev): 2.6656 2.6656 3.2807 3.2807 3.4807 3.4807 3.6862 3.6862 3.8414 3.8414 4.1783 4.1783 4.3535 4.3535 4.9521 4.9521 5.4568 5.4568 5.6409 5.6409 5.8166 5.8166 5.9828 5.9828 5.9890 5.9890 6.3450 6.3450 6.3772 6.3772 6.7837 6.7837 11.1623 11.1623 13.0542 13.0542 13.3825 13.3825 14.9891 14.9891 16.7096 16.7096 18.8868 18.8868 k = 0.2125 0.1227-0.0000 ( 2221 PWs) bands (ev): 2.7078 2.7078 3.2623 3.2623 3.4631 3.4631 3.6816 3.6816 3.8547 3.8547 4.1753 4.1753 4.3540 4.3540 4.9583 4.9583 5.4664 5.4664 5.6586 5.6586 5.8217 5.8217 5.9807 5.9807 6.0035 6.0035 6.3535 6.3535 6.3857 6.3857 6.7709 6.7709 10.9630 10.9630 13.0132 13.0132 13.2592 13.2592 15.0792 15.0792 16.8270 16.8270 19.0618 19.0618 k = 0.2250 0.1299-0.0000 ( 2217 PWs) bands (ev): 2.7503 2.7503 3.2432 3.2432 3.4473 3.4473 3.6769 3.6769 3.8687 3.8687 4.1732 4.1732 4.3553 4.3553 4.9640 4.9640 5.4761 5.4761 5.6697 5.6697 5.8295 5.8295 5.9810 5.9810 6.0187 6.0187 6.3605 6.3605 6.3966 6.3966 6.7590 6.7590 10.7624 10.7624 12.9766 12.9766 13.1370 13.1370 15.1760 15.1760 16.9477 16.9477 19.2340 19.2340 k = 0.2375 0.1371-0.0000 ( 2209 PWs) bands (ev): 2.7927 2.7927 3.2234 3.2234 3.4335 3.4335 3.6721 3.6721 3.8834 3.8834 4.1722 4.1722 4.3574 4.3574 4.9690 4.9690 5.4858 5.4858 5.6750 5.6750 5.8373 5.8373 5.9862 5.9862 6.0342 6.0342 6.3669 6.3669 6.4090 6.4090 6.7482 6.7482 10.5616 10.5616 12.9428 12.9428 13.0174 13.0174 15.2785 15.2785 17.0714 17.0714 19.4027 19.4027 k = 0.2500 0.1443-0.0000 ( 2216 PWs) bands (ev): 2.8343 2.8343 3.2031 3.2031 3.4221 3.4221 3.6672 3.6672 3.8988 3.8988 4.1721 4.1721 4.3606 4.3606 4.9734 4.9734 5.4953 5.4953 5.6758 5.6758 5.8418 5.8418 5.9979 5.9979 6.0500 6.0500 6.3734 6.3734 6.4221 6.4221 6.7387 6.7387 10.3616 10.3616 12.8881 12.8881 12.9240 12.9240 15.3862 15.3862 17.1974 17.1974 19.5662 19.5662 k = 0.2625 0.1516-0.0000 ( 2212 PWs) bands (ev): 2.8742 2.8742 3.1825 3.1825 3.4137 3.4137 3.6623 3.6623 3.9149 3.9149 4.1729 4.1729 4.3651 4.3651 4.9771 4.9771 5.5044 5.5044 5.6735 5.6735 5.8414 5.8414 6.0164 6.0164 6.0659 6.0659 6.3804 6.3804 6.4356 6.4356 6.7307 6.7307 10.1631 10.1631 12.7772 12.7772 12.8923 12.8923 15.4987 15.4987 17.3254 17.3254 19.7231 19.7231 k = 0.2750 0.1588-0.0000 ( 2216 PWs) bands (ev): 2.9115 2.9115 3.1620 3.1620 3.4084 3.4084 3.6574 3.6574 3.9319 3.9319 4.1744 4.1744 4.3710 4.3710 4.9803 4.9803 5.5130 5.5130 5.6694 5.6694 5.8364 5.8364 6.0399 6.0399 6.0820 6.0820 6.3880 6.3880 6.4492 6.4492 6.7243 6.7243 9.9667 9.9667 12.6646 12.6646 12.8676 12.8676 15.6155 15.6155 17.4547 17.4547 19.8714 19.8714 k = 0.2875 0.1660-0.0000 ( 2216 PWs) bands (ev): 2.9451 2.9451 3.1420 3.1420 3.4068 3.4068 3.6525 3.6525 3.9499 3.9499 4.1765 4.1765 4.3786 4.3786 4.9830 4.9830 5.5210 5.5210 5.6642 5.6642 5.8282 5.8282 6.0653 6.0653 6.0991 6.0991 6.3962 6.3962 6.4628 6.4628 6.7198 6.7198 9.7730 9.7730 12.5550 12.5550 12.8455 12.8455 15.7363 15.7363 17.5849 17.5849 20.0089 20.0089 k = 0.3000 0.1732-0.0000 ( 2216 PWs) bands (ev): 2.9737 2.9737 3.1231 3.1231 3.4091 3.4091 3.6476 3.6476 3.9688 3.9688 4.1790 4.1790 4.3879 4.3879 4.9856 4.9856 5.5281 5.5281 5.6582 5.6582 5.8180 5.8180 6.0890 6.0890 6.1190 6.1190 6.4051 6.4051 6.4764 6.4764 6.7175 6.7175 9.5825 9.5825 12.4490 12.4490 12.8255 12.8255 15.8609 15.8609 17.7156 17.7156 20.1318 20.1318 k = 0.3125 0.1804-0.0000 ( 2212 PWs) bands (ev): 2.9958 2.9958 3.1065 3.1065 3.4153 3.4153 3.6427 3.6427 3.9887 3.9887 4.1816 4.1816 4.3991 4.3991 4.9884 4.9884 5.5344 5.5344 5.6517 5.6517 5.8067 5.8067 6.1081 6.1081 6.1431 6.1431 6.4146 6.4146 6.4900 6.4900 6.7174 6.7174 9.3956 9.3956 12.3471 12.3471 12.8072 12.8072 15.9889 15.9889 17.8461 17.8461 20.2320 20.2320 k = 0.3250 0.1876-0.0000 ( 2218 PWs) bands (ev): 3.0094 3.0094 3.0940 3.0940 3.4254 3.4254 3.6380 3.6380 4.0096 4.0096 4.1841 4.1841 4.4119 4.4119 4.9919 4.9919 5.5396 5.5396 5.6450 5.6450 5.7948 5.7948 6.1231 6.1231 6.1697 6.1697 6.4249 6.4249 6.5036 6.5036 6.7198 6.7198 9.2127 9.2127 12.2495 12.2495 12.7906 12.7906 16.1203 16.1203 17.9760 17.9760 20.2820 20.2820 k = 0.3375 0.1949-0.0000 ( 2216 PWs) bands (ev): 3.0125 3.0125 3.0879 3.0879 3.4386 3.4386 3.6333 3.6333 4.0313 4.0313 4.1866 4.1866 4.4261 4.4261 4.9967 4.9967 5.5438 5.5438 5.6381 5.6381 5.7828 5.7828 6.1357 6.1357 6.1962 6.1962 6.4361 6.4361 6.5173 6.5173 6.7247 6.7247 9.0343 9.0343 12.1566 12.1566 12.7755 12.7755 16.2547 16.2547 18.1049 18.1049 20.2348 20.2348 k = 0.3500 0.2021-0.0000 ( 2216 PWs) bands (ev): 3.0064 3.0064 3.0875 3.0875 3.4543 3.4543 3.6289 3.6289 4.0538 4.0538 4.1889 4.1889 4.4410 4.4410 5.0036 5.0036 5.5468 5.5468 5.6310 5.6310 5.7709 5.7709 6.1468 6.1468 6.2207 6.2207 6.4485 6.4485 6.5313 6.5313 6.7321 6.7321 8.8608 8.8608 12.0688 12.0688 12.7618 12.7618 16.3921 16.3921 18.2322 18.2322 20.1195 20.1195 k = 0.3625 0.2093-0.0000 ( 2216 PWs) bands (ev): 2.9950 2.9950 3.0897 3.0897 3.4713 3.4713 3.6246 3.6246 4.0766 4.0766 4.1912 4.1912 4.4561 4.4561 5.0134 5.0134 5.5487 5.5487 5.6236 5.6236 5.7591 5.7591 6.1568 6.1568 6.2421 6.2421 6.4625 6.4625 6.5458 6.5458 6.7418 6.7418 8.6927 8.6927 11.9864 11.9864 12.7494 12.7494 16.5321 16.5321 18.3576 18.3576 19.9801 19.9801 k = 0.3750 0.2165-0.0000 ( 2216 PWs) bands (ev): 2.9819 2.9819 3.0919 3.0919 3.4887 3.4887 3.6205 3.6205 4.0993 4.0993 4.1937 4.1937 4.4703 4.4703 5.0269 5.0269 5.5493 5.5493 5.6158 5.6158 5.7476 5.7476 6.1659 6.1659 6.2597 6.2597 6.4779 6.4779 6.5616 6.5616 6.7534 6.7534 8.5305 8.5305 11.9097 11.9097 12.7383 12.7383 16.6747 16.6747 18.4804 18.4804 19.8309 19.8309 k = 0.3875 0.2237-0.0000 ( 2216 PWs) bands (ev): 2.9685 2.9685 3.0935 3.0935 3.5057 3.5057 3.6167 3.6167 4.1211 4.1211 4.1968 4.1968 4.4827 4.4827 5.0451 5.0451 5.5486 5.5486 5.6075 5.6075 5.7365 5.7365 6.1743 6.1743 6.2730 6.2730 6.4944 6.4944 6.5795 6.5795 6.7664 6.7664 8.3748 8.3748 11.8391 11.8391 12.7284 12.7284 16.8197 16.8197 18.6001 18.6001 19.6770 19.6770 k = 0.4000 0.2309-0.0000 ( 2222 PWs) bands (ev): 2.9556 2.9556 3.0942 3.0942 3.5217 3.5217 3.6131 3.6131 4.1409 4.1409 4.2014 4.2014 4.4925 4.4925 5.0683 5.0683 5.5463 5.5463 5.5987 5.5987 5.7259 5.7259 6.1820 6.1820 6.2821 6.2821 6.5108 6.5108 6.6007 6.6007 6.7805 6.7805 8.2263 8.2263 11.7748 11.7748 12.7196 12.7196 16.9669 16.9669 18.7157 18.7157 19.5211 19.5211 k = 0.4125 0.2382-0.0000 ( 2226 PWs) bands (ev): 2.9438 2.9438 3.0943 3.0943 3.5364 3.5364 3.6099 3.6099 4.1569 4.1569 4.2090 4.2090 4.4992 4.4992 5.0967 5.0967 5.5416 5.5416 5.5897 5.5897 5.7160 5.7160 6.1891 6.1891 6.2875 6.2875 6.5258 6.5258 6.6263 6.6263 6.7950 6.7950 8.0858 8.0858 11.7171 11.7171 12.7120 12.7120 17.1160 17.1160 18.8251 18.8251 19.3659 19.3659 k = 0.4250 0.2454-0.0000 ( 2230 PWs) bands (ev): 2.9333 2.9333 3.0939 3.0939 3.5494 3.5494 3.6069 3.6069 4.1676 4.1676 4.2207 4.2207 4.5026 4.5026 5.1301 5.1301 5.5334 5.5334 5.5813 5.5813 5.7071 5.7071 6.1957 6.1957 6.2900 6.2900 6.5384 6.5384 6.6562 6.6562 6.8096 6.8096 7.9543 7.9543 11.6665 11.6665 12.7054 12.7054 17.2671 17.2671 18.9210 18.9210 19.2189 19.2189 k = 0.4375 0.2526-0.0000 ( 2234 PWs) bands (ev): 2.9242 2.9242 3.0934 3.0934 3.5606 3.5606 3.6042 3.6042 4.1735 4.1735 4.2355 4.2355 4.5031 4.5031 5.1675 5.1675 5.5201 5.5201 5.5746 5.5746 5.6994 5.6994 6.2018 6.2018 6.2902 6.2902 6.5485 6.5485 6.6894 6.6894 6.8240 6.8240 7.8334 7.8334 11.6231 11.6231 12.6999 12.6999 17.4199 17.4199 18.9513 18.9513 19.1313 19.1313 k = 0.4500 0.2598-0.0000 ( 2240 PWs) bands (ev): 2.9166 2.9166 3.0927 3.0927 3.5700 3.5700 3.6017 3.6017 4.1767 4.1767 4.2509 4.2509 4.5014 4.5014 5.2079 5.2079 5.5011 5.5011 5.5698 5.5698 5.6931 5.6931 6.2074 6.2074 6.2889 6.2889 6.5564 6.5564 6.7237 6.7237 6.8384 6.8384 7.7249 7.7249 11.5872 11.5872 12.6954 12.6954 17.5741 17.5741 18.8399 18.8399 19.1782 19.1782 k = 0.4625 0.2670-0.0000 ( 2240 PWs) bands (ev): 2.9106 2.9106 3.0920 3.0920 3.5777 3.5777 3.5994 3.5994 4.1784 4.1784 4.2650 4.2650 4.4982 4.4982 5.2500 5.2500 5.4767 5.4767 5.5667 5.5667 5.6882 5.6882 6.2122 6.2122 6.2869 6.2869 6.5623 6.5623 6.7555 6.7555 6.8532 6.8532 7.6317 7.6317 11.5591 11.5591 12.6920 12.6920 17.7296 17.7296 18.6890 18.6890 19.2547 19.2547 k = 0.4750 0.2742-0.0000 ( 2236 PWs) bands (ev): 2.9063 2.9063 3.0915 3.0915 3.5837 3.5837 3.5972 3.5972 4.1793 4.1793 4.2763 4.2763 4.4948 4.4948 5.2925 5.2925 5.4475 5.4475 5.5647 5.5647 5.6848 5.6848 6.2160 6.2160 6.2847 6.2847 6.5663 6.5663 6.7806 6.7806 6.8684 6.8684 7.5581 7.5581 11.5388 11.5388 12.6895 12.6895 17.8855 17.8855 18.5324 18.5324 19.3226 19.3226 k = 0.4875 0.2815-0.0000 ( 2232 PWs) bands (ev): 2.9037 2.9037 3.0912 3.0912 3.5884 3.5884 3.5948 3.5948 4.1798 4.1798 4.2837 4.2837 4.4921 4.4921 5.3337 5.3337 5.4146 5.4146 5.5637 5.5637 5.6828 5.6828 6.2185 6.2185 6.2832 6.2832 6.5687 6.5687 6.7958 6.7958 6.8814 6.8814 7.5098 7.5098 11.5266 11.5266 12.6880 12.6880 18.0396 18.0396 18.3773 18.3773 19.3699 19.3699 k = 0.5000 0.2887-0.0000 ( 2228 PWs) bands (ev): 2.9029 2.9029 3.0911 3.0911 3.5917 3.5917 3.5923 3.5923 4.1800 4.1800 4.2862 4.2862 4.4911 4.4911 5.3639 5.3639 5.3872 5.3872 5.5633 5.5633 5.6821 5.6821 6.2194 6.2194 6.2826 6.2826 6.5695 6.5695 6.8007 6.8007 6.8868 6.8868 7.4928 7.4928 11.5226 11.5226 12.6876 12.6876 18.1530 18.1530 18.2634 18.2634 19.3871 19.3871 k = 0.5000 0.2887-0.0000 ( 2228 PWs) bands (ev): 2.9029 2.9029 3.0911 3.0911 3.5917 3.5917 3.5923 3.5923 4.1800 4.1800 4.2862 4.2862 4.4911 4.4911 5.3639 5.3639 5.3872 5.3872 5.5633 5.5633 5.6821 5.6821 6.2194 6.2194 6.2826 6.2826 6.5695 6.5695 6.8007 6.8007 6.8868 6.8868 7.4928 7.4928 11.5226 11.5226 12.6876 12.6876 18.1530 18.1530 18.2634 18.2634 19.3871 19.3871 k = 0.4931 0.3007-0.0000 ( 2230 PWs) bands (ev): 2.9020 2.9020 3.0913 3.0913 3.5897 3.5897 3.5946 3.5946 4.1799 4.1799 4.2845 4.2845 4.4933 4.4933 5.3564 5.3564 5.3944 5.3944 5.5653 5.5653 5.6835 5.6835 6.2197 6.2197 6.2832 6.2832 6.5696 6.5696 6.8006 6.8006 6.8867 6.8867 7.4924 7.4924 11.4793 11.4793 12.7328 12.7328 18.1541 18.1541 18.2648 18.2648 19.3866 19.3866 k = 0.4861 0.3127-0.0000 ( 2234 PWs) bands (ev): 2.8993 2.8993 3.0920 3.0920 3.5877 3.5877 3.5975 3.5975 4.1797 4.1797 4.2797 4.2797 4.4995 4.4995 5.3429 5.3429 5.4068 5.4068 5.5710 5.5710 5.6876 5.6876 6.2205 6.2205 6.2849 6.2849 6.5699 6.5699 6.8004 6.8004 6.8864 6.8864 7.4913 7.4913 11.3651 11.3651 12.8529 12.8529 18.1572 18.1572 18.2689 18.2689 19.3854 19.3854 k = 0.4792 0.3248-0.0000 ( 2230 PWs) bands (ev): 2.8949 2.8949 3.0931 3.0931 3.5859 3.5859 3.6007 3.6007 4.1794 4.1794 4.2725 4.2725 4.5090 4.5090 5.3284 5.3284 5.4195 5.4195 5.5806 5.5806 5.6946 5.6946 6.2219 6.2219 6.2879 6.2879 6.5703 6.5703 6.8001 6.8001 6.8860 6.8860 7.4894 7.4894 11.2081 11.2081 13.0197 13.0197 18.1624 18.1624 18.2758 18.2758 19.3832 19.3832 k = 0.4722 0.3368-0.0000 ( 2223 PWs) bands (ev): 2.8890 2.8890 3.0945 3.0945 3.5844 3.5844 3.6042 3.6042 4.1789 4.1789 4.2635 4.2635 4.5210 4.5210 5.3138 5.3138 5.4314 5.4314 5.5940 5.5940 5.7045 5.7045 6.2238 6.2238 6.2920 6.2920 6.5710 6.5710 6.7998 6.7998 6.8855 6.8855 7.4868 7.4868 11.0283 11.0283 13.2132 13.2132 18.1695 18.1695 18.2856 18.2856 19.3800 19.3800 k = 0.4653 0.3488-0.0000 ( 2227 PWs) bands (ev): 2.8817 2.8817 3.0961 3.0961 3.5832 3.5832 3.6080 3.6080 4.1782 4.1782 4.2537 4.2537 4.5346 4.5346 5.2994 5.2994 5.4422 5.4422 5.6111 5.6111 5.7174 5.7174 6.2262 6.2262 6.2971 6.2971 6.5720 6.5720 6.7994 6.7994 6.8850 6.8850 7.4834 7.4834 10.8366 10.8366 13.4222 13.4222 18.1785 18.1785 18.2980 18.2980 19.3754 19.3754 k = 0.4583 0.3608-0.0000 ( 2227 PWs) bands (ev): 2.8732 2.8732 3.0979 3.0979 3.5822 3.5822 3.6122 3.6122 4.1771 4.1771 4.2435 4.2435 4.5491 4.5491 5.2854 5.2854 5.4517 5.4517 5.6320 5.6320 5.7333 5.7333 6.2292 6.2292 6.3033 6.3033 6.5732 6.5732 6.7990 6.7990 6.8847 6.8847 7.4792 7.4792 10.6390 10.6390 13.6409 13.6409 18.1892 18.1892 18.3132 18.3132 19.3692 19.3692 k = 0.4514 0.3729-0.0000 ( 2235 PWs) bands (ev): 2.8638 2.8638 3.0998 3.0998 3.5815 3.5815 3.6166 3.6166 4.1754 4.1754 4.2337 4.2337 4.5638 4.5638 5.2718 5.2718 5.4598 5.4598 5.6564 5.6564 5.7520 5.7520 6.2327 6.2327 6.3104 6.3104 6.5748 6.5748 6.7988 6.7988 6.8847 6.8847 7.4742 7.4742 10.4386 10.4386 13.8658 13.8658 18.2012 18.2012 18.3310 18.3310 19.3609 19.3609 k = 0.4444 0.3849-0.0000 ( 2231 PWs) bands (ev): 2.8537 2.8537 3.1017 3.1017 3.5810 3.5810 3.6213 3.6213 4.1730 4.1730 4.2247 4.2247 4.5782 4.5782 5.2589 5.2589 5.4667 5.4667 5.6843 5.6843 5.7733 5.7733 6.2366 6.2366 6.3185 6.3185 6.5767 6.5767 6.7989 6.7989 6.8852 6.8852 7.4685 7.4685 10.2375 10.2375 14.0948 14.0948 18.2146 18.2146 18.3516 18.3516 19.3502 19.3502 k = 0.4375 0.3969-0.0000 ( 2231 PWs) bands (ev): 2.8430 2.8430 3.1036 3.1036 3.5807 3.5807 3.6261 3.6261 4.1695 4.1695 4.2170 4.2170 4.5920 4.5920 5.2466 5.2466 5.4724 5.4724 5.7156 5.7156 5.7966 5.7966 6.2410 6.2410 6.3275 6.3275 6.5790 6.5790 6.7995 6.7995 6.8865 6.8865 7.4619 7.4619 10.0367 10.0367 14.3266 14.3266 18.2287 18.2287 18.3747 18.3747 19.3364 19.3364 k = 0.4306 0.4090-0.0000 ( 2231 PWs) bands (ev): 2.8321 2.8321 3.1054 3.1054 3.5807 3.5807 3.6312 3.6312 4.1649 4.1649 4.2110 4.2110 4.6047 4.6047 5.2349 5.2349 5.4771 5.4771 5.7500 5.7500 5.8216 5.8216 6.2457 6.2457 6.3373 6.3373 6.5818 6.5818 6.8010 6.8010 6.8887 6.8887 7.4545 7.4545 9.8372 9.8372 14.5599 14.5599 18.2429 18.2429 18.4003 18.4003 19.3190 19.3190 k = 0.4236 0.4210-0.0000 ( 2235 PWs) bands (ev): 2.8209 2.8209 3.1070 3.1070 3.5809 3.5809 3.6363 3.6363 4.1593 4.1593 4.2066 4.2066 4.6163 4.6163 5.2240 5.2240 5.4810 5.4810 5.7872 5.7872 5.8477 5.8477 6.2506 6.2506 6.3480 6.3480 6.5849 6.5849 6.8038 6.8038 6.8922 6.8922 7.4463 7.4463 9.6395 9.6395 14.7938 14.7938 18.2565 18.2565 18.4282 18.4282 19.2977 19.2978 k = 0.4167 0.4330-0.0000 ( 2233 PWs) bands (ev): 2.8099 2.8099 3.1086 3.1086 3.5813 3.5813 3.6414 3.6414 4.1530 4.1530 4.2035 4.2035 4.6265 4.6265 5.2138 5.2138 5.4842 5.4842 5.8268 5.8268 5.8742 5.8742 6.2557 6.2557 6.3596 6.3596 6.5882 6.5882 6.8085 6.8085 6.8972 6.8972 7.4374 7.4374 9.4440 9.4440 15.0275 15.0275 18.2684 18.2684 18.4583 18.4583 19.2725 19.2725 k = 0.4097 0.4450-0.0000 ( 2233 PWs) bands (ev): 2.7990 2.7990 3.1100 3.1100 3.5819 3.5819 3.6465 3.6465 4.1464 4.1464 4.2015 4.2015 4.6353 4.6353 5.2045 5.2045 5.4868 5.4868 5.8680 5.8680 5.9005 5.9005 6.2609 6.2609 6.3719 6.3719 6.5915 6.5915 6.8159 6.8159 6.9043 6.9043 7.4278 7.4278 9.2512 9.2512 15.2600 15.2600 18.2770 18.2770 18.4902 18.4902 19.2443 19.2443 k = 0.4028 0.4571-0.0000 ( 2233 PWs) bands (ev): 2.7885 2.7885 3.1112 3.1112 3.5826 3.5826 3.6514 3.6514 4.1400 4.1400 4.2002 4.2002 4.6427 4.6427 5.1959 5.1959 5.4891 5.4891 5.9099 5.9099 5.9265 5.9265 6.2661 6.2661 6.3850 6.3850 6.5944 6.5944 6.8268 6.8268 6.9139 6.9139 7.4176 7.4176 9.0614 9.0614 15.4903 15.4903 18.2805 18.2805 18.5235 18.5235 19.2150 19.2150 k = 0.3958 0.4691-0.0000 ( 2237 PWs) bands (ev): 2.7786 2.7786 3.1123 3.1123 3.5835 3.5835 3.6561 3.6561 4.1340 4.1340 4.1994 4.1994 4.6487 4.6487 5.1882 5.1882 5.4909 5.4909 5.9464 5.9464 5.9564 5.9564 6.2711 6.2711 6.3990 6.3990 6.5965 6.5965 6.8421 6.8421 6.9267 6.9267 7.4069 7.4069 8.8749 8.8749 15.7170 15.7170 18.2764 18.2764 18.5577 18.5577 19.1881 19.1881 k = 0.3889 0.4811-0.0000 ( 2233 PWs) bands (ev): 2.7693 2.7693 3.1132 3.1132 3.5845 3.5845 3.6605 3.6605 4.1285 4.1285 4.1989 4.1989 4.6534 4.6534 5.1814 5.1814 5.4925 5.4925 5.9702 5.9702 5.9963 5.9963 6.2759 6.2759 6.4136 6.4136 6.5974 6.5974 6.8624 6.8624 6.9435 6.9435 7.3962 7.3962 8.6919 8.6919 15.9389 15.9389 18.2624 18.2624 18.5923 18.5923 19.1677 19.1677 k = 0.3819 0.4932-0.0000 ( 2235 PWs) bands (ev): 2.7607 2.7607 3.1140 3.1140 3.5855 3.5855 3.6645 3.6645 4.1238 4.1238 4.1987 4.1987 4.6570 4.6570 5.1754 5.1754 5.4938 5.4938 5.9901 5.9901 6.0355 6.0355 6.2803 6.2803 6.4291 6.4291 6.5968 6.5968 6.8876 6.8876 6.9654 6.9654 7.3856 7.3856 8.5129 8.5129 16.1538 16.1538 18.2368 18.2368 18.6262 18.6263 19.1583 19.1583 k = 0.3750 0.5052-0.0000 ( 2235 PWs) bands (ev): 2.7531 2.7531 3.1146 3.1146 3.5866 3.5866 3.6681 3.6681 4.1198 4.1198 4.1986 4.1986 4.6596 4.6596 5.1703 5.1703 5.4950 5.4950 6.0073 6.0073 6.0716 6.0716 6.2844 6.2844 6.4452 6.4452 6.5946 6.5946 6.9169 6.9169 6.9939 6.9939 7.3760 7.3760 8.3382 8.3382 16.3593 16.3593 18.1995 18.1995 18.6588 18.6588 19.1628 19.1628 k = 0.3681 0.5172-0.0000 ( 2239 PWs) bands (ev): 2.7464 2.7464 3.1152 3.1152 3.5876 3.5876 3.6712 3.6712 4.1165 4.1165 4.1986 4.1986 4.6613 4.6613 5.1660 5.1660 5.4960 5.4960 6.0217 6.0217 6.1032 6.1032 6.2879 6.2879 6.4617 6.4617 6.5910 6.5910 6.9491 6.9491 7.0301 7.0301 7.3684 7.3684 8.1683 8.1683 16.5517 16.5517 18.1526 18.1526 18.6886 18.6886 19.1826 19.1826 k = 0.3611 0.5292-0.0000 ( 2233 PWs) bands (ev): 2.7408 2.7408 3.1155 3.1155 3.5886 3.5886 3.6737 3.6737 4.1140 4.1140 4.1988 4.1988 4.6624 4.6624 5.1626 5.1626 5.4968 5.4968 6.0334 6.0334 6.1295 6.1295 6.2908 6.2908 6.4780 6.4780 6.5861 6.5861 6.9821 6.9821 7.0747 7.0747 7.3645 7.3645 8.0040 8.0040 16.7262 16.7262 18.1007 18.1007 18.7145 18.7145 19.2168 19.2168 k = 0.3542 0.5413-0.0000 ( 2237 PWs) bands (ev): 2.7363 2.7363 3.1158 3.1158 3.5894 3.5894 3.6757 3.6757 4.1122 4.1122 4.1989 4.1989 4.6630 4.6630 5.1601 5.1601 5.4975 5.4975 6.0424 6.0424 6.1499 6.1499 6.2931 6.2931 6.4933 6.4933 6.5804 6.5804 7.0137 7.0137 7.1271 7.1271 7.3670 7.3670 7.8462 7.8462 16.8758 16.8758 18.0503 18.0503 18.7348 18.7348 19.2630 19.2630 k = 0.3472 0.5533-0.0000 ( 2233 PWs) bands (ev): 2.7331 2.7331 3.1160 3.1160 3.5901 3.5901 3.6770 3.6770 4.1111 4.1111 4.1991 4.1991 4.6633 4.6633 5.1583 5.1583 5.4980 5.4980 6.0487 6.0487 6.1645 6.1645 6.2947 6.2947 6.5064 6.5064 6.5747 6.5747 7.0405 7.0405 7.1855 7.1855 7.3793 7.3793 7.6974 7.6974 16.9914 16.9914 18.0096 18.0096 18.7481 18.7481 19.3164 19.3164 k = 0.3403 0.5653-0.0000 ( 2231 PWs) bands (ev): 2.7311 2.7311 3.1161 3.1161 3.5905 3.5905 3.6778 3.6778 4.1105 4.1105 4.1992 4.1992 4.6634 4.6634 5.1573 5.1573 5.4983 5.4983 6.0525 6.0525 6.1731 6.1731 6.2956 6.2956 6.5156 6.5156 6.5702 6.5702 7.0584 7.0584 7.2455 7.2455 7.4023 7.4023 7.5655 7.5655 17.0635 17.0635 17.9856 17.9856 18.7542 18.7542 19.3659 19.3659 k = 0.3333 0.5774-0.0000 ( 2223 PWs) bands (ev): 2.7304 2.7304 3.1161 3.1161 3.5907 3.5907 3.6781 3.6781 4.1103 4.1103 4.1993 4.1993 4.6634 4.6634 5.1569 5.1569 5.4984 5.4984 6.0538 6.0538 6.1760 6.1760 6.2959 6.2959 6.5189 6.5189 6.5684 6.5684 7.0646 7.0646 7.2835 7.2835 7.4156 7.4156 7.4976 7.4976 17.0870 17.0870 17.9792 17.9792 18.7554 18.7554 19.3825 19.3832 k = 0.3333 0.5774-0.0000 ( 2223 PWs) bands (ev): 2.7304 2.7304 3.1161 3.1161 3.5907 3.5907 3.6781 3.6781 4.1103 4.1103 4.1993 4.1993 4.6634 4.6634 5.1569 5.1569 5.4984 5.4984 6.0538 6.0538 6.1760 6.1760 6.2959 6.2959 6.5189 6.5189 6.5684 6.5684 7.0646 7.0646 7.2835 7.2835 7.4156 7.4156 7.4976 7.4977 17.0870 17.0870 17.9792 17.9792 18.7554 18.7554 19.3824 19.3845 k = 0.3262 0.5651-0.0000 ( 2227 PWs) bands (ev): 2.7311 2.7311 3.1161 3.1161 3.5905 3.5905 3.6778 3.6778 4.1104 4.1104 4.1992 4.1992 4.6634 4.6634 5.1573 5.1573 5.4983 5.4983 6.0524 6.0524 6.1730 6.1730 6.2956 6.2956 6.5157 6.5157 6.5700 6.5700 7.0578 7.0578 7.2260 7.2260 7.4492 7.4492 7.5393 7.5393 17.0656 17.0656 17.9809 17.9809 18.7557 18.7557 19.3423 19.3423 k = 0.3191 0.5528-0.0000 ( 2231 PWs) bands (ev): 2.7333 2.7333 3.1160 3.1160 3.5899 3.5899 3.6771 3.6771 4.1108 4.1108 4.1990 4.1990 4.6635 4.6635 5.1581 5.1581 5.4979 5.4979 6.0481 6.0481 6.1640 6.1640 6.2948 6.2948 6.5075 6.5075 6.5731 6.5731 7.0329 7.0329 7.1321 7.1321 7.5271 7.5271 7.6135 7.6135 17.0097 17.0097 17.9748 17.9748 18.7572 18.7572 19.2738 19.2738 k = 0.3121 0.5405-0.0000 ( 2235 PWs) bands (ev): 2.7369 2.7369 3.1159 3.1159 3.5888 3.5888 3.6760 3.6760 4.1112 4.1112 4.1985 4.1985 4.6636 4.6636 5.1594 5.1594 5.4971 5.4971 6.0400 6.0400 6.1493 6.1493 6.2934 6.2934 6.4962 6.4962 6.5761 6.5761 6.9717 6.9717 7.0702 7.0702 7.6189 7.6189 7.7011 7.7011 16.9311 16.9311 17.9490 17.9490 18.7532 18.7532 19.2142 19.2142 k = 0.3050 0.5282-0.0000 ( 2227 PWs) bands (ev): 2.7420 2.7420 3.1158 3.1158 3.5872 3.5872 3.6745 3.6745 4.1115 4.1115 4.1978 4.1978 4.6636 4.6636 5.1609 5.1609 5.4959 5.4959 6.0268 6.0268 6.1297 6.1297 6.2915 6.2915 6.4827 6.4827 6.5779 6.5779 6.8888 6.8888 7.0369 7.0369 7.7186 7.7186 7.7981 7.7981 16.8384 16.8384 17.9000 17.9000 18.7265 18.7265 19.1883 19.1883 k = 0.2979 0.5159-0.0000 ( 2227 PWs) bands (ev): 2.7486 2.7486 3.1156 3.1156 3.5850 3.5850 3.6728 3.6728 4.1115 4.1115 4.1969 4.1969 4.6634 4.6634 5.1624 5.1624 5.4943 5.4943 6.0056 6.0056 6.1081 6.1081 6.2891 6.2891 6.4674 6.4674 6.5784 6.5784 6.8115 6.8115 7.0093 7.0093 7.8245 7.8245 7.9024 7.9024 16.7370 16.7370 17.8305 17.8305 18.6655 18.6655 19.2062 19.2062 k = 0.2908 0.5036-0.0000 ( 2223 PWs) bands (ev): 2.7567 2.7567 3.1153 3.1153 3.5820 3.5820 3.6709 3.6709 4.1110 4.1110 4.1959 4.1959 4.6628 4.6628 5.1635 5.1635 5.4921 5.4921 5.9737 5.9737 6.0878 6.0878 6.2862 6.2862 6.4505 6.4505 6.5773 6.5773 6.7472 6.7472 6.9819 6.9819 7.9357 7.9357 8.0129 8.0129 16.6306 16.6306 17.7454 17.7454 18.5772 18.5772 19.2578 19.2578 k = 0.2837 0.4914-0.0000 ( 2231 PWs) bands (ev): 2.7663 2.7663 3.1150 3.1150 3.5783 3.5783 3.6688 3.6688 4.1099 4.1099 4.1948 4.1948 4.6614 4.6614 5.1639 5.1639 5.4893 5.4893 5.9312 5.9312 6.0708 6.0708 6.2827 6.2827 6.4321 6.4321 6.5746 6.5746 6.6967 6.6967 6.9541 6.9541 8.0515 8.0515 8.1289 8.1289 16.5213 16.5213 17.6487 17.6487 18.4730 18.4730 19.3285 19.3285 k = 0.2766 0.4791-0.0000 ( 2235 PWs) bands (ev): 2.7773 2.7773 3.1146 3.1146 3.5737 3.5737 3.6668 3.6668 4.1080 4.1080 4.1937 4.1937 4.6587 4.6587 5.1630 5.1630 5.4859 5.4859 5.8818 5.8818 6.0565 6.0565 6.2785 6.2785 6.4128 6.4128 6.5704 6.5704 6.6587 6.6587 6.9259 6.9259 8.1714 8.1714 8.2500 8.2500 16.4105 16.4105 17.5437 17.5437 18.3605 18.3605 19.4084 19.4084 k = 0.2695 0.4668-0.0000 ( 2235 PWs) bands (ev): 2.7898 2.7898 3.1140 3.1140 3.5681 3.5681 3.6648 3.6648 4.1050 4.1050 4.1928 4.1928 4.6542 4.6542 5.1602 5.1602 5.4820 5.4820 5.8302 5.8302 6.0439 6.0439 6.2737 6.2737 6.3928 6.3928 6.5648 6.5648 6.6305 6.6305 6.8976 6.8976 8.2952 8.2952 8.3757 8.3757 16.2995 16.2995 17.4329 17.4329 18.2441 18.2441 19.4915 19.4915 k = 0.2624 0.4545-0.0000 ( 2223 PWs) bands (ev): 2.8037 2.8037 3.1132 3.1132 3.5615 3.5615 3.6630 3.6630 4.1008 4.1008 4.1922 4.1922 4.6472 4.6472 5.1549 5.1549 5.4779 5.4779 5.7807 5.7807 6.0322 6.0322 6.2681 6.2681 6.3725 6.3725 6.5581 6.5581 6.6093 6.6093 6.8696 6.8696 8.4224 8.4224 8.5059 8.5059 16.1889 16.1889 17.3180 17.3180 18.1259 18.1259 19.5733 19.5733 k = 0.2553 0.4422-0.0000 ( 2225 PWs) bands (ev): 2.8190 2.8190 3.1121 3.1121 3.5539 3.5539 3.6613 3.6613 4.0953 4.0953 4.1919 4.1919 4.6373 4.6373 5.1466 5.1466 5.4743 5.4743 5.7364 5.7364 6.0210 6.0210 6.2617 6.2617 6.3520 6.3520 6.5507 6.5507 6.5926 6.5926 6.8425 6.8425 8.5529 8.5529 8.6402 8.6402 16.0793 16.0793 17.2000 17.2000 18.0074 18.0074 19.6499 19.6499 k = 0.2482 0.4299-0.0000 ( 2229 PWs) bands (ev): 2.8356 2.8356 3.1105 3.1105 3.5451 3.5451 3.6599 3.6599 4.0885 4.0885 4.1920 4.1920 4.6237 4.6237 5.1352 5.1352 5.4718 5.4718 5.6991 5.6991 6.0101 6.0101 6.2544 6.2544 6.3315 6.3315 6.5430 6.5430 6.5783 6.5783 6.8167 6.8167 8.6865 8.6865 8.7785 8.7785 15.9711 15.9711 17.0800 17.0800 17.8895 17.8895 19.7170 19.7170 k = 0.2411 0.4177-0.0000 ( 2229 PWs) bands (ev): 2.8534 2.8534 3.1084 3.1084 3.5351 3.5351 3.6587 3.6587 4.0803 4.0803 4.1924 4.1924 4.6062 4.6062 5.1215 5.1215 5.4714 5.4714 5.6690 5.6690 5.9995 5.9995 6.2460 6.2460 6.3108 6.3108 6.5354 6.5354 6.5647 6.5647 6.7928 6.7928 8.8229 8.8229 8.9206 8.9206 15.8647 15.8647 16.9587 16.9587 17.7729 17.7729 19.7703 19.7703 k = 0.2340 0.4054-0.0000 ( 2225 PWs) bands (ev): 2.8724 2.8724 3.1054 3.1054 3.5240 3.5240 3.6579 3.6579 4.0709 4.0709 4.1931 4.1931 4.5847 4.5847 5.1064 5.1064 5.4738 5.4738 5.6454 5.6454 5.9892 5.9892 6.2363 6.2363 6.2900 6.2900 6.5278 6.5278 6.5510 6.5510 6.7714 6.7714 8.9621 8.9621 9.0663 9.0663 15.7604 15.7604 16.8366 16.8366 17.6580 17.6580 19.8071 19.8071 k = 0.2270 0.3931-0.0000 ( 2215 PWs) bands (ev): 2.8925 2.8925 3.1013 3.1013 3.5120 3.5120 3.6573 3.6573 4.0603 4.0603 4.1938 4.1938 4.5597 4.5597 5.0913 5.0913 5.4790 5.4790 5.6271 5.6271 5.9795 5.9795 6.2252 6.2252 6.2690 6.2690 6.5201 6.5201 6.5366 6.5366 6.7529 6.7529 9.1038 9.1038 9.2156 9.2156 15.6584 15.6584 16.7143 16.7143 17.5452 17.5452 19.8271 19.8271 k = 0.2199 0.3808-0.0000 ( 2215 PWs) bands (ev): 2.9136 2.9136 3.0957 3.0957 3.4992 3.4992 3.6571 3.6571 4.0487 4.0487 4.1945 4.1945 4.5323 4.5323 5.0772 5.0772 5.4868 5.4868 5.6128 5.6128 5.9704 5.9704 6.2122 6.2122 6.2480 6.2480 6.5121 6.5121 6.5216 6.5216 6.7378 6.7378 9.2480 9.2480 9.3683 9.3683 15.5589 15.5589 16.5921 16.5921 17.4348 17.4348 19.8315 19.8315 k = 0.2128 0.3685-0.0000 ( 2217 PWs) bands (ev): 2.9354 2.9354 3.0884 3.0884 3.4859 3.4859 3.6572 3.6572 4.0361 4.0361 4.1950 4.1950 4.5035 4.5035 5.0647 5.0647 5.4968 5.4968 5.6017 5.6017 5.9620 5.9620 6.1966 6.1966 6.2274 6.2274 6.5028 6.5028 6.5069 6.5069 6.7260 6.7260 9.3943 9.3943 9.5242 9.5242 15.4622 15.4622 16.4704 16.4704 17.3271 17.3271 19.8226 19.8226 k = 0.2057 0.3562-0.0000 ( 2217 PWs) bands (ev): 2.9577 2.9577 3.0790 3.0790 3.4727 3.4727 3.6577 3.6577 4.0228 4.0228 4.1950 4.1950 4.4749 4.4749 5.0539 5.0539 5.5080 5.5080 5.5929 5.5929 5.9547 5.9547 6.1778 6.1778 6.2078 6.2078 6.4884 6.4884 6.4967 6.4967 6.7174 6.7174 9.5428 9.5428 9.6835 9.6835 15.3683 15.3683 16.3495 16.3495 17.2221 17.2221 19.8025 19.8025 k = 0.1986 0.3440-0.0000 ( 2217 PWs) bands (ev): 2.9797 2.9797 3.0676 3.0676 3.4601 3.4601 3.6585 3.6585 4.0089 4.0089 4.1945 4.1945 4.4479 4.4479 5.0447 5.0447 5.5192 5.5192 5.5866 5.5866 5.9485 5.9485 6.1556 6.1556 6.1893 6.1893 6.4726 6.4726 6.4876 6.4876 6.7119 6.7119 9.6930 9.6930 9.8459 9.8459 15.2775 15.2775 16.2299 16.2299 17.1202 17.1202 19.7731 19.7731 k = 0.1915 0.3317-0.0000 ( 2221 PWs) bands (ev): 2.9988 2.9988 3.0562 3.0562 3.4488 3.4488 3.6596 3.6596 3.9945 3.9945 4.1934 4.1934 4.4234 4.4234 5.0368 5.0368 5.5287 5.5287 5.5837 5.5837 5.9435 5.9435 6.1304 6.1304 6.1714 6.1714 6.4573 6.4573 6.4782 6.4782 6.7090 6.7090 9.8450 9.8450 10.0115 10.0115 15.1899 15.1899 16.1118 16.1118 17.0213 17.0213 19.7355 19.7355 k = 0.1844 0.3194-0.0000 ( 2215 PWs) bands (ev): 3.0047 3.0047 3.0545 3.0545 3.4394 3.4394 3.6610 3.6610 3.9797 3.9797 4.1914 4.1914 4.4023 4.4023 5.0297 5.0297 5.5337 5.5337 5.5857 5.5857 5.9400 5.9400 6.1030 6.1030 6.1537 6.1537 6.4430 6.4430 6.4684 6.4684 6.7085 6.7085 9.9984 9.9984 10.1801 10.1801 15.1057 15.1057 15.9957 15.9957 16.9256 16.9256 19.6907 19.6907 k = 0.1773 0.3071-0.0000 ( 2219 PWs) bands (ev): 2.9895 2.9895 3.0703 3.0703 3.4324 3.4324 3.6628 3.6628 3.9647 3.9647 4.1889 4.1889 4.3849 4.3849 5.0231 5.0231 5.5332 5.5332 5.5931 5.5931 5.9379 5.9379 6.0741 6.0741 6.1359 6.1359 6.4298 6.4298 6.4581 6.4581 6.7100 6.7100 10.1530 10.1530 10.3518 10.3518 15.0249 15.0249 15.8817 15.8817 16.8331 16.8331 19.6390 19.6390 k = 0.1702 0.2948-0.0000 ( 2223 PWs) bands (ev): 2.9635 2.9635 3.0929 3.0929 3.4281 3.4281 3.6648 3.6648 3.9497 3.9497 4.1858 4.1858 4.3713 4.3713 5.0168 5.0168 5.5287 5.5287 5.6037 5.6037 5.9371 5.9371 6.0441 6.0441 6.1180 6.1180 6.4181 6.4181 6.4473 6.4473 6.7134 6.7134 10.3085 10.3085 10.5264 10.5264 14.9477 14.9477 15.7704 15.7704 16.7440 16.7440 19.5805 19.5805 k = 0.1631 0.2825-0.0000 ( 2219 PWs) bands (ev): 2.9321 2.9321 3.1173 3.1173 3.4268 3.4268 3.6672 3.6672 3.9347 3.9347 4.1826 4.1826 4.3612 4.3612 5.0105 5.0105 5.5221 5.5221 5.6151 5.6151 5.9370 5.9370 6.0142 6.0142 6.1000 6.1000 6.4076 6.4076 6.4361 6.4361 6.7184 6.7184 10.4646 10.4646 10.7040 10.7040 14.8743 14.8743 15.6622 15.6622 16.6583 16.6583 19.5150 19.5150 k = 0.1560 0.2702-0.0000 ( 2223 PWs) bands (ev): 2.8969 2.8969 3.1422 3.1422 3.4285 3.4285 3.6698 3.6698 3.9198 3.9198 4.1797 4.1797 4.3541 4.3541 5.0039 5.0039 5.5141 5.5141 5.6260 5.6260 5.9358 5.9358 5.9867 5.9867 6.0821 6.0821 6.3985 6.3985 6.4245 6.4245 6.7249 6.7249 10.6210 10.6210 10.8844 10.8844 14.8046 14.8046 15.5575 15.5575 16.5761 16.5761 19.4420 19.4420 k = 0.1489 0.2580-0.0000 ( 2223 PWs) bands (ev): 2.8590 2.8590 3.1669 3.1669 3.4330 3.4330 3.6726 3.6726 3.9051 3.9051 4.1773 4.1773 4.3495 4.3495 4.9971 4.9971 5.5054 5.5054 5.6353 5.6353 5.9271 5.9271 5.9683 5.9683 6.0644 6.0644 6.3905 6.3905 6.4125 6.4125 6.7327 6.7327 10.7772 10.7772 11.0677 11.0677 14.7388 14.7388 15.4568 15.4568 16.4972 16.4972 19.3610 19.3610 k = 0.1418 0.2457-0.0000 ( 2221 PWs) bands (ev): 2.8191 2.8191 3.1912 3.1912 3.4402 3.4402 3.6757 3.6757 3.8908 3.8908 4.1758 4.1758 4.3467 4.3467 4.9900 4.9900 5.4961 5.4961 5.6421 5.6421 5.9064 5.9064 5.9643 5.9643 6.0470 6.0470 6.3838 6.3838 6.4002 6.4002 6.7417 6.7417 10.9329 10.9329 11.2536 11.2536 14.6769 14.6769 15.3608 15.3608 16.4219 16.4219 19.2714 19.2714 k = 0.1348 0.2334-0.0000 ( 2217 PWs) bands (ev): 2.7780 2.7780 3.2147 3.2147 3.4499 3.4499 3.6790 3.6790 3.8768 3.8768 4.1754 4.1754 4.3454 4.3454 4.9824 4.9824 5.4865 5.4865 5.6453 5.6453 5.8821 5.8821 5.9670 5.9670 6.0301 6.0301 6.3780 6.3780 6.3877 6.3877 6.7518 6.7518 11.0874 11.0874 11.4423 11.4423 14.6189 14.6189 15.2702 15.2702 16.3501 16.3501 19.1725 19.1725 k = 0.1277 0.2211-0.0000 ( 2215 PWs) bands (ev): 2.7363 2.7363 3.2373 3.2373 3.4618 3.4618 3.6825 3.6825 3.8632 3.8632 4.1760 4.1760 4.3452 4.3452 4.9745 4.9745 5.4767 5.4767 5.6435 5.6435 5.8600 5.8600 5.9719 5.9719 6.0137 6.0137 6.3723 6.3723 6.3761 6.3761 6.7629 6.7629 11.2403 11.2403 11.6334 11.6334 14.5646 14.5646 15.1858 15.1858 16.2819 16.2819 19.0638 19.0638 k = 0.1206 0.2088-0.0000 ( 2215 PWs) bands (ev): 2.6948 2.6948 3.2587 3.2587 3.4759 3.4759 3.6861 3.6861 3.8500 3.8500 4.1778 4.1778 4.3458 4.3458 4.9664 4.9664 5.4669 5.4669 5.6357 5.6357 5.8427 5.8427 5.9772 5.9772 5.9980 5.9980 6.3608 6.3608 6.3709 6.3709 6.7749 6.7749 11.3907 11.3907 11.8271 11.8271 14.5138 14.5138 15.1088 15.1088 16.2172 16.2172 18.9449 18.9449 k = 0.1135 0.1965-0.0000 ( 2221 PWs) bands (ev): 2.6537 2.6537 3.2788 3.2788 3.4917 3.4917 3.6898 3.6898 3.8374 3.8374 4.1807 4.1807 4.3470 4.3470 4.9580 4.9580 5.4572 5.4572 5.6212 5.6212 5.8313 5.8313 5.9814 5.9814 5.9841 5.9841 6.3476 6.3476 6.3683 6.3683 6.7877 6.7877 11.5379 11.5379 12.0230 12.0230 14.4662 14.4662 15.0404 15.0404 16.1560 16.1560 18.8158 18.8158 k = 0.1064 0.1843-0.0000 ( 2219 PWs) bands (ev): 2.6137 2.6137 3.2977 3.2977 3.5089 3.5089 3.6935 3.6935 3.8252 3.8252 4.1846 4.1846 4.3485 4.3485 4.9496 4.9496 5.4477 5.4477 5.6008 5.6008 5.8254 5.8254 5.9691 5.9691 5.9872 5.9872 6.3341 6.3341 6.3668 6.3668 6.8012 6.8012 11.6810 11.6810 12.2212 12.2212 14.4213 14.4213 14.9823 14.9823 16.0985 16.0985 18.6769 18.6769 k = 0.0993 0.1720-0.0000 ( 2219 PWs) bands (ev): 2.5750 2.5750 3.3153 3.3153 3.5272 3.5272 3.6973 3.6973 3.8137 3.8137 4.1892 4.1892 4.3503 4.3503 4.9413 4.9413 5.4384 5.4384 5.5759 5.5759 5.8237 5.8237 5.9566 5.9566 5.9910 5.9910 6.3204 6.3204 6.3662 6.3662 6.8151 6.8151 11.8189 11.8189 12.4212 12.4212 14.3784 14.3784 14.9362 14.9362 16.0446 16.0446 18.5288 18.5288 k = 0.0922 0.1597-0.0000 ( 2219 PWs) bands (ev): 2.5379 2.5379 3.3317 3.3317 3.5463 3.5463 3.7011 3.7011 3.8027 3.8027 4.1945 4.1945 4.3522 4.3522 4.9332 4.9332 5.4295 5.4295 5.5480 5.5480 5.8247 5.8247 5.9456 5.9456 5.9938 5.9938 6.3066 6.3066 6.3664 6.3664 6.8293 6.8293 11.9506 11.9506 12.6230 12.6230 14.3369 14.3369 14.9039 14.9039 15.9943 15.9943 18.3725 18.3725 k = 0.0851 0.1474-0.0000 ( 2227 PWs) bands (ev): 2.5028 2.5028 3.3468 3.3468 3.5657 3.5657 3.7048 3.7048 3.7924 3.7924 4.2003 4.2003 4.3543 4.3543 4.9257 4.9257 5.4209 5.4209 5.5186 5.5186 5.8268 5.8268 5.9366 5.9366 5.9957 5.9957 6.2928 6.2928 6.3673 6.3673 6.8437 6.8437 12.0747 12.0747 12.8261 12.8261 14.2964 14.2964 14.8871 14.8871 15.9477 15.9477 18.2090 18.2090 k = 0.0780 0.1351-0.0000 ( 2227 PWs) bands (ev): 2.4699 2.4699 3.3608 3.3608 3.5850 3.5850 3.7084 3.7084 3.7828 3.7828 4.2062 4.2062 4.3563 4.3563 4.9188 4.9188 5.4126 5.4126 5.4889 5.4889 5.8288 5.8288 5.9301 5.9301 5.9965 5.9965 6.2791 6.2791 6.3688 6.3688 6.8580 6.8580 12.1902 12.1902 13.0301 13.0301 14.2571 14.2571 14.8870 14.8870 15.9048 15.9048 18.0398 18.0398 k = 0.0709 0.1228-0.0000 ( 2225 PWs) bands (ev): 2.4393 2.4393 3.3737 3.3737 3.6040 3.6040 3.7119 3.7119 3.7739 3.7739 4.2123 4.2123 4.3582 4.3582 4.9129 4.9129 5.4043 5.4043 5.4598 5.4598 5.8299 5.8299 5.9264 5.9264 5.9965 5.9965 6.2655 6.2655 6.3707 6.3707 6.8719 6.8719 12.2960 12.2960 13.2342 13.2342 14.2194 14.2194 14.9042 14.9042 15.8657 15.8657 17.8662 17.8662 k = 0.0638 0.1106-0.0000 ( 2221 PWs) bands (ev): 2.4112 2.4112 3.3854 3.3854 3.6223 3.6223 3.7152 3.7152 3.7657 3.7657 4.2181 4.2181 4.3601 4.3601 4.9079 4.9079 5.3950 5.3950 5.4330 5.4330 5.8295 5.8295 5.9257 5.9257 5.9958 5.9958 6.2521 6.2521 6.3728 6.3728 6.8854 6.8854 12.3911 12.3911 13.4369 13.4369 14.1850 14.1850 14.9387 14.9387 15.8306 15.8306 17.6899 17.6899 k = 0.0567 0.0983-0.0000 ( 2223 PWs) bands (ev): 2.3857 2.3857 3.3961 3.3961 3.6396 3.6396 3.7182 3.7182 3.7583 3.7583 4.2236 4.2236 4.3619 4.3619 4.9040 4.9040 5.3819 5.3819 5.4118 5.4118 5.8276 5.8276 5.9278 5.9278 5.9945 5.9945 6.2391 6.2391 6.3751 6.3751 6.8982 6.8982 12.4749 12.4749 13.6350 13.6350 14.1570 14.1570 14.9895 14.9895 15.7997 15.7997 17.5124 17.5124 k = 0.0496 0.0860-0.0000 ( 2223 PWs) bands (ev): 2.3631 2.3631 3.4056 3.4056 3.6555 3.6555 3.7210 3.7210 3.7517 3.7517 4.2286 4.2286 4.3636 4.3636 4.9013 4.9013 5.3626 5.3626 5.3992 5.3992 5.8246 5.8246 5.9321 5.9321 5.9929 5.9929 6.2266 6.2266 6.3774 6.3774 6.9100 6.9100 12.5472 12.5472 13.8181 13.8181 14.1457 14.1457 15.0547 15.0547 15.7737 15.7737 17.3356 17.3356 k = 0.0426 0.0737-0.0000 ( 2215 PWs) bands (ev): 2.3432 2.3432 3.4140 3.4140 3.6700 3.6700 3.7235 3.7235 3.7460 3.7460 4.2330 4.2330 4.3651 4.3651 4.8998 4.8998 5.3407 5.3407 5.3918 5.3918 5.8210 5.8210 5.9377 5.9377 5.9911 5.9911 6.2149 6.2149 6.3797 6.3797 6.9208 6.9208 12.6080 12.6080 13.9470 13.9470 14.1899 14.1899 15.1308 15.1308 15.7543 15.7543 17.1619 17.1619 k = 0.0355 0.0614-0.0000 ( 2211 PWs) bands (ev): 2.3263 2.3263 3.4212 3.4212 3.6827 3.6827 3.7257 3.7257 3.7411 3.7411 4.2368 4.2368 4.3664 4.3664 4.8992 4.8992 5.3198 5.3198 5.3868 5.3868 5.8172 5.8172 5.9440 5.9440 5.9892 5.9892 6.2040 6.2040 6.3817 6.3817 6.9302 6.9302 12.6578 12.6578 13.9828 13.9828 14.3273 14.3273 15.2110 15.2110 15.7451 15.7451 16.9945 16.9945 k = 0.0284 0.0491-0.0000 ( 2217 PWs) bands (ev): 2.3124 2.3124 3.4272 3.4272 3.6934 3.6934 3.7275 3.7275 3.7370 3.7370 4.2398 4.2398 4.3676 4.3676 4.8994 4.8994 5.3012 5.3012 5.3830 5.3830 5.8138 5.8138 5.9503 5.9503 5.9874 5.9874 6.1945 6.1945 6.3835 6.3835 6.9381 6.9381 12.6972 12.6972 13.9793 13.9793 14.5017 14.5017 15.2834 15.2834 15.7540 15.7540 16.8379 16.8379 k = 0.0213 0.0369-0.0000 ( 2217 PWs) bands (ev): 2.3015 2.3015 3.4319 3.4319 3.7019 3.7019 3.7290 3.7290 3.7337 3.7337 4.2421 4.2421 4.3685 4.3685 4.9001 4.9001 5.2860 5.2860 5.3802 5.3802 5.8109 5.8109 5.9559 5.9559 5.9859 5.9859 6.1865 6.1865 6.3849 6.3849 6.9444 6.9444 12.7269 12.7269 13.9689 13.9689 14.6771 14.6771 15.3296 15.3296 15.7940 15.7940 16.6986 16.6986 k = 0.0142 0.0246-0.0000 ( 2217 PWs) bands (ev): 2.2938 2.2938 3.4352 3.4352 3.7082 3.7082 3.7300 3.7300 3.7314 3.7314 4.2437 4.2437 4.3691 4.3691 4.9009 4.9009 5.2746 5.2746 5.3783 5.3783 5.8087 5.8087 5.9604 5.9604 5.9848 5.9848 6.1804 6.1804 6.3859 6.3859 6.9490 6.9490 12.7476 12.7476 13.9594 13.9594 14.8385 14.8385 15.3355 15.3355 15.8723 15.8723 16.5675 16.5675 k = 0.0071 0.0123-0.0000 ( 2217 PWs) bands (ev): 2.2891 2.2891 3.4373 3.4373 3.7121 3.7121 3.7299 3.7299 3.7307 3.7307 4.2446 4.2446 4.3695 4.3695 4.9016 4.9016 5.2676 5.2676 5.3771 5.3771 5.8073 5.8073 5.9633 5.9633 5.9841 5.9841 6.1766 6.1766 6.3866 6.3866 6.9518 6.9518 12.7597 12.7597 13.9532 13.9532 14.9688 14.9688 15.3076 15.3076 15.9742 15.9742 16.4056 16.4056 k = 0.0000 0.0000 0.0000 ( 2217 PWs) bands (ev): 2.2875 2.2875 3.4380 3.4380 3.7134 3.7134 3.7293 3.7293 3.7309 3.7309 4.2449 4.2449 4.3697 4.3697 4.9018 4.9018 5.2652 5.2652 5.3767 5.3767 5.8069 5.8069 5.9643 5.9643 5.9838 5.9838 6.1753 6.1753 6.3868 6.3868 6.9527 6.9527 12.7637 12.7637 13.9510 13.9510 15.0268 15.0268 15.2839 15.2839 16.0379 16.0379 16.3225 16.3225 k = 0.0000 0.0000 0.0000 ( 2217 PWs) bands (ev): 2.2875 2.2875 3.4380 3.4380 3.7134 3.7134 3.7293 3.7293 3.7309 3.7309 4.2449 4.2449 4.3697 4.3697 4.9018 4.9018 5.2652 5.2652 5.3767 5.3767 5.8069 5.8069 5.9643 5.9643 5.9838 5.9838 6.1753 6.1753 6.3868 6.3868 6.9527 6.9527 12.7637 12.7637 13.9510 13.9510 15.0268 15.0268 15.2839 15.2839 16.0379 16.0379 16.3225 16.3225 k = 0.0000 0.0000 0.0143 ( 2217 PWs) bands (ev): 2.2884 2.2884 3.4380 3.4380 3.7131 3.7131 3.7303 3.7303 3.7305 3.7305 4.2447 4.2447 4.3687 4.3687 4.9019 4.9019 5.2662 5.2662 5.3766 5.3766 5.8073 5.8073 5.9636 5.9636 5.9838 5.9838 6.1771 6.1771 6.3875 6.3875 6.9523 6.9523 12.7458 12.7458 13.9637 13.9637 15.0275 15.0275 15.2847 15.2847 16.0392 16.0392 16.3235 16.3235 k = 0.0000 0.0000 0.0286 ( 2217 PWs) bands (ev): 2.2912 2.2912 3.4380 3.4380 3.7121 3.7121 3.7293 3.7293 3.7332 3.7332 4.2440 4.2440 4.3659 4.3659 4.9023 4.9023 5.2691 5.2691 5.3760 5.3760 5.8087 5.8087 5.9616 5.9616 5.9839 5.9839 6.1821 6.1821 6.3898 6.3898 6.9509 6.9509 12.6943 12.6943 13.9995 13.9995 15.0294 15.0294 15.2870 15.2870 16.0430 16.0430 16.3264 16.3264 k = 0.0000 0.0000 0.0429 ( 2217 PWs) bands (ev): 2.2958 2.2958 3.4381 3.4381 3.7103 3.7103 3.7273 3.7273 3.7381 3.7381 4.2429 4.2429 4.3612 4.3612 4.9030 4.9030 5.2740 5.2740 5.3750 5.3750 5.8111 5.8111 5.9586 5.9586 5.9841 5.9841 6.1903 6.1903 6.3934 6.3934 6.9487 6.9487 12.6145 12.6145 14.0532 14.0532 15.0326 15.0326 15.2908 15.2908 16.0494 16.0494 16.3313 16.3313 k = 0.0000 0.0000 0.0572 ( 2211 PWs) bands (ev): 2.3023 2.3023 3.4381 3.4381 3.7080 3.7080 3.7245 3.7245 3.7449 3.7449 4.2414 4.2414 4.3547 4.3547 4.9038 4.9038 5.2807 5.2807 5.3737 5.3737 5.8143 5.8143 5.9549 5.9549 5.9843 5.9843 6.2012 6.2012 6.3985 6.3985 6.9456 6.9456 12.5127 12.5127 14.1189 14.1189 15.0370 15.0370 15.2961 15.2961 16.0584 16.0584 16.3381 16.3381 k = 0.0000 0.0000 0.0715 ( 2211 PWs) bands (ev): 2.3105 2.3105 3.4382 3.4382 3.7049 3.7049 3.7209 3.7209 3.7537 3.7537 4.2394 4.2394 4.3467 4.3467 4.9049 4.9049 5.2891 5.2891 5.3722 5.3722 5.8184 5.8184 5.9509 5.9509 5.9845 5.9845 6.2145 6.2145 6.4049 6.4049 6.9416 6.9416 12.3942 12.3942 14.1920 14.1920 15.0426 15.0426 15.3030 15.3030 16.0699 16.0699 16.3468 16.3468 k = 0.0000 0.0000 0.0858 ( 2211 PWs) bands (ev): 2.3204 2.3204 3.4384 3.4384 3.7013 3.7013 3.7167 3.7167 3.7645 3.7645 4.2369 4.2369 4.3371 4.3371 4.9063 4.9063 5.2990 5.2990 5.3704 5.3704 5.8234 5.8234 5.9467 5.9467 5.9848 5.9848 6.2298 6.2298 6.4127 6.4127 6.9368 6.9368 12.2628 12.2628 14.2688 14.2688 15.0495 15.0495 15.3114 15.3114 16.0839 16.0839 16.3575 16.3575 k = 0.0000 0.0000 0.1001 ( 2199 PWs) bands (ev): 2.3319 2.3319 3.4385 3.4385 3.6970 3.6970 3.7117 3.7117 3.7773 3.7773 4.2340 4.2340 4.3261 4.3261 4.9078 4.9078 5.3105 5.3105 5.3684 5.3684 5.8293 5.8293 5.9428 5.9428 5.9852 5.9852 6.2467 6.2467 6.4216 6.4216 6.9311 6.9311 12.1217 12.1217 14.3470 14.3470 15.0576 15.0576 15.3215 15.3215 16.1006 16.1006 16.3701 16.3701 k = 0.0000 0.0000 0.1145 ( 2199 PWs) bands (ev): 2.3450 2.3450 3.4387 3.4387 3.6922 3.6922 3.7061 3.7061 3.7922 3.7922 4.2308 4.2308 4.3140 4.3140 4.9096 4.9096 5.3232 5.3232 5.3664 5.3664 5.8359 5.8359 5.9393 5.9393 5.9857 5.9857 6.2651 6.2651 6.4316 6.4316 6.9246 6.9246 11.9728 11.9728 14.4252 14.4252 15.0667 15.0667 15.3332 15.3332 16.1198 16.1198 16.3845 16.3845 k = 0.0000 0.0000 0.1288 ( 2199 PWs) bands (ev): 2.3596 2.3596 3.4388 3.4388 3.6868 3.6868 3.6998 3.6998 3.8092 3.8092 4.2271 4.2271 4.3008 4.3008 4.9115 4.9115 5.3370 5.3370 5.3643 5.3643 5.8434 5.8434 5.9364 5.9364 5.9863 5.9863 6.2846 6.2846 6.4427 6.4427 6.9173 6.9173 11.8179 11.8179 14.5025 14.5025 15.0770 15.0770 15.3466 15.3466 16.1415 16.1415 16.4007 16.4007 k = 0.0000 0.0000 0.1431 ( 2199 PWs) bands (ev): 2.3756 2.3756 3.4390 3.4390 3.6809 3.6809 3.6929 3.6929 3.8283 3.8283 4.2230 4.2230 4.2867 4.2867 4.9136 4.9136 5.3518 5.3518 5.3623 5.3623 5.8515 5.8515 5.9342 5.9342 5.9870 5.9870 6.3050 6.3050 6.4547 6.4547 6.9092 6.9092 11.6581 11.6581 14.5784 14.5784 15.0883 15.0883 15.3617 15.3617 16.1658 16.1658 16.4187 16.4187 k = 0.0000 0.0000 0.1574 ( 2199 PWs) bands (ev): 2.3928 2.3928 3.4393 3.4393 3.6746 3.6746 3.6855 3.6855 3.8495 3.8495 4.2185 4.2185 4.2718 4.2718 4.9158 4.9158 5.3604 5.3604 5.3675 5.3675 5.8604 5.8604 5.9328 5.9328 5.9878 5.9878 6.3263 6.3263 6.4675 6.4675 6.9004 6.9004 11.4945 11.4945 14.6527 14.6527 15.1006 15.1006 15.3786 15.3786 16.1926 16.1926 16.4384 16.4384 k = 0.0000 0.0000 0.1717 ( 2199 PWs) bands (ev): 2.4112 2.4112 3.4395 3.4395 3.6679 3.6679 3.6776 3.6776 3.8730 3.8730 4.2137 4.2137 4.2564 4.2564 4.9182 4.9182 5.3586 5.3586 5.3838 5.3838 5.8699 5.8699 5.9322 5.9322 5.9888 5.9888 6.3481 6.3481 6.4810 6.4810 6.8909 6.8909 11.3279 11.3279 14.7253 14.7253 15.1138 15.1138 15.3973 15.3973 16.2219 16.2219 16.4598 16.4598 k = 0.0000 0.0000 0.1860 ( 2187 PWs) bands (ev): 2.4305 2.4305 3.4398 3.4398 3.6607 3.6607 3.6693 3.6693 3.8987 3.8987 4.2085 4.2085 4.2405 4.2405 4.9207 4.9207 5.3571 5.3571 5.4007 5.4007 5.8801 5.8801 5.9325 5.9325 5.9900 5.9900 6.3704 6.3704 6.4951 6.4951 6.8807 6.8807 11.1590 11.1590 14.7963 14.7963 15.1279 15.1279 15.4179 15.4179 16.2538 16.2538 16.4827 16.4827 k = 0.0000 0.0000 0.2003 ( 2199 PWs) bands (ev): 2.4508 2.4508 3.4401 3.4401 3.6533 3.6533 3.6606 3.6606 3.9267 3.9267 4.2031 4.2031 4.2243 4.2243 4.9232 4.9232 5.3559 5.3559 5.4180 5.4180 5.8907 5.8907 5.9336 5.9336 5.9914 5.9914 6.3931 6.3931 6.5096 6.5096 6.8699 6.8699 10.9883 10.9883 14.8658 14.8658 15.1427 15.1427 15.4404 15.4404 16.2881 16.2881 16.5071 16.5071 k = 0.0000 0.0000 0.2146 ( 2193 PWs) bands (ev): 2.4717 2.4717 3.4404 3.4404 3.6456 3.6456 3.6515 3.6515 3.9571 3.9571 4.1973 4.1973 4.2079 4.2079 4.9258 4.9258 5.3550 5.3550 5.4357 5.4357 5.9020 5.9020 5.9355 5.9355 5.9930 5.9930 6.4159 6.4159 6.5246 6.5246 6.8585 6.8585 10.8163 10.8163 14.9341 14.9341 15.1582 15.1582 15.4651 15.4651 16.3249 16.3249 16.5329 16.5329 k = 0.0000 0.0000 0.2289 ( 2205 PWs) bands (ev): 2.4932 2.4932 3.4407 3.4407 3.6376 3.6376 3.6422 3.6422 3.9898 3.9898 4.1913 4.1913 4.1913 4.1913 4.9285 4.9285 5.3545 5.3545 5.4535 5.4535 5.9136 5.9136 5.9383 5.9383 5.9950 5.9950 6.4389 6.4389 6.5398 6.5398 6.8465 6.8465 10.6436 10.6436 15.0012 15.0012 15.1742 15.1742 15.4918 15.4918 16.3641 16.3641 16.5600 16.5600 k = 0.0000 0.0000 0.2432 ( 2205 PWs) bands (ev): 2.5152 2.5152 3.4411 3.4411 3.6294 3.6294 3.6327 3.6327 4.0248 4.0248 4.1748 4.1748 4.1851 4.1851 4.9311 4.9311 5.3544 5.3544 5.4714 5.4714 5.9257 5.9257 5.9418 5.9418 5.9973 5.9973 6.4619 6.4619 6.5553 6.5553 6.8339 6.8339 10.4705 10.4705 15.0676 15.0676 15.1907 15.1907 15.5207 15.5207 16.4056 16.4056 16.5883 16.5883 k = 0.0000 0.0000 0.2575 ( 2205 PWs) bands (ev): 2.5374 2.5374 3.4415 3.4415 3.6211 3.6211 3.6231 3.6231 4.0622 4.0622 4.1585 4.1585 4.1788 4.1788 4.9338 4.9338 5.3548 5.3548 5.4893 5.4893 5.9382 5.9382 5.9461 5.9461 6.0001 6.0001 6.4848 6.4848 6.5707 6.5707 6.8209 6.8209 10.2975 10.2975 15.1334 15.1334 15.2075 15.2075 15.5519 15.5519 16.4495 16.4495 16.6176 16.6176 k = 0.0000 0.0000 0.2718 ( 2205 PWs) bands (ev): 2.5597 2.5597 3.4419 3.4419 3.6128 3.6128 3.6133 3.6133 4.1019 4.1019 4.1422 4.1422 4.1723 4.1723 4.9365 4.9365 5.3556 5.3556 5.5071 5.5071 5.9509 5.9509 5.9511 5.9511 6.0034 6.0034 6.5075 6.5075 6.5862 6.5862 6.8075 6.8075 10.1249 10.1249 15.1988 15.1988 15.2247 15.2247 15.5854 15.5854 16.4955 16.4955 16.6479 16.6479 k = 0.0000 0.0000 0.2861 ( 2217 PWs) bands (ev): 2.5819 2.5819 3.4423 3.4423 3.6036 3.6036 3.6043 3.6043 4.1263 4.1263 4.1434 4.1434 4.1664 4.1664 4.9391 4.9391 5.3568 5.3568 5.5248 5.5248 5.9567 5.9567 5.9640 5.9640 6.0073 6.0073 6.5299 6.5299 6.6015 6.6015 6.7936 6.7936 9.9529 9.9529 15.2419 15.2419 15.2640 15.2640 15.6212 15.6212 16.5436 16.5436 16.6789 16.6789 k = 0.0000 0.0000 0.3004 ( 2217 PWs) bands (ev): 2.6040 2.6040 3.4428 3.4428 3.5938 3.5938 3.5959 3.5959 4.1107 4.1107 4.1579 4.1579 4.1894 4.1894 4.9417 4.9417 5.3585 5.3585 5.5422 5.5422 5.9628 5.9628 5.9773 5.9773 6.0119 6.0119 6.5519 6.5519 6.6166 6.6166 6.7795 6.7795 9.7820 9.7820 15.2592 15.2592 15.3293 15.3293 15.6594 15.6594 16.5937 16.5937 16.7105 16.7105 k = 0.0000 0.0000 0.3147 ( 2241 PWs) bands (ev): 2.6257 2.6257 3.4433 3.4433 3.5841 3.5841 3.5875 3.5875 4.0955 4.0955 4.1516 4.1516 4.2355 4.2355 4.9442 4.9442 5.3606 5.3606 5.5592 5.5592 5.9693 5.9693 5.9907 5.9907 6.0173 6.0173 6.5735 6.5735 6.6314 6.6314 6.7650 6.7650 9.6123 9.6123 15.2765 15.2765 15.3949 15.3949 15.7001 15.7001 16.6456 16.6456 16.7426 16.7426 k = 0.0000 0.0000 0.3290 ( 2241 PWs) bands (ev): 2.6469 2.6469 3.4438 3.4438 3.5746 3.5746 3.5792 3.5792 4.0808 4.0808 4.1450 4.1450 4.2840 4.2840 4.9466 4.9466 5.3632 5.3632 5.5758 5.5758 5.9763 5.9763 6.0043 6.0043 6.0238 6.0238 6.5945 6.5945 6.6458 6.6458 6.7503 6.7503 9.4443 9.4443 15.2936 15.2936 15.4609 15.4609 15.7432 15.7432 16.6991 16.6991 16.7750 16.7750 k = 0.0000 0.0000 0.3434 ( 2223 PWs) bands (ev): 2.6675 2.6675 3.4444 3.4444 3.5653 3.5653 3.5710 3.5710 4.0666 4.0666 4.1383 4.1383 4.3343 4.3343 4.9490 4.9490 5.3662 5.3662 5.5920 5.5920 5.9835 5.9835 6.0180 6.0180 6.0314 6.0314 6.6148 6.6148 6.6597 6.6597 6.7354 6.7354 9.2781 9.2781 15.3105 15.3105 15.5274 15.5274 15.7888 15.7888 16.7541 16.7541 16.8074 16.8074 k = 0.0000 0.0000 0.3577 ( 2223 PWs) bands (ev): 2.6874 2.6874 3.4450 3.4450 3.5562 3.5562 3.5630 3.5630 4.0530 4.0530 4.1318 4.1318 4.3862 4.3862 4.9512 4.9512 5.3696 5.3696 5.6077 5.6077 5.9910 5.9910 6.0317 6.0317 6.0404 6.0404 6.6345 6.6345 6.6730 6.6730 6.7204 6.7204 9.1141 9.1141 15.3271 15.3271 15.5947 15.5947 15.8368 15.8368 16.8102 16.8102 16.8398 16.8398 k = 0.0000 0.0000 0.3720 ( 2199 PWs) bands (ev): 2.7065 2.7065 3.4456 3.4456 3.5475 3.5475 3.5552 3.5552 4.0400 4.0400 4.1254 4.1254 4.4394 4.4394 4.9534 4.9534 5.3733 5.3733 5.6227 5.6227 5.9985 5.9985 6.0454 6.0454 6.0510 6.0510 6.6534 6.6534 6.6857 6.6857 6.7054 6.7054 8.9526 8.9526 15.3432 15.3432 15.6628 15.6628 15.8871 15.8871 16.8673 16.8673 16.8718 16.8718 k = 0.0000 0.0000 0.3863 ( 2199 PWs) bands (ev): 2.7247 2.7247 3.4463 3.4463 3.5390 3.5390 3.5476 3.5476 4.0277 4.0277 4.1192 4.1192 4.4935 4.4935 4.9554 4.9554 5.3774 5.3774 5.6371 5.6371 6.0061 6.0061 6.0590 6.0590 6.0636 6.0636 6.6714 6.6714 6.6904 6.6904 6.6975 6.6975 8.7938 8.7938 15.3588 15.3588 15.7317 15.7317 15.9397 15.9397 16.9033 16.9033 16.9249 16.9249 k = 0.0000 0.0000 0.4006 ( 2205 PWs) bands (ev): 2.7418 2.7418 3.4471 3.4471 3.5310 3.5310 3.5403 3.5403 4.0161 4.0161 4.1132 4.1132 4.5480 4.5480 4.9573 4.9573 5.3818 5.3818 5.6507 5.6507 6.0136 6.0136 6.0725 6.0725 6.0784 6.0784 6.6755 6.6755 6.6885 6.6885 6.7085 6.7085 8.6381 8.6381 15.3738 15.3738 15.8014 15.8014 15.9944 15.9944 16.9340 16.9340 16.9829 16.9829 k = 0.0000 0.0000 0.4149 ( 2205 PWs) bands (ev): 2.7579 2.7579 3.4479 3.4479 3.5234 3.5234 3.5332 3.5332 4.0052 4.0052 4.1075 4.1075 4.6024 4.6024 4.9591 4.9591 5.3865 5.3865 5.6636 5.6636 6.0210 6.0210 6.0857 6.0857 6.0958 6.0958 6.6608 6.6608 6.7046 6.7046 6.7184 6.7184 8.4859 8.4859 15.3881 15.3881 15.8719 15.8719 16.0509 16.0509 16.9638 16.9638 17.0407 17.0407 k = 0.0000 0.0000 0.4292 ( 2205 PWs) bands (ev): 2.7729 2.7729 3.4487 3.4487 3.5162 3.5162 3.5265 3.5265 3.9951 3.9951 4.1021 4.1021 4.6560 4.6560 4.9607 4.9607 5.3914 5.3914 5.6757 5.6757 6.0281 6.0281 6.0987 6.0987 6.1163 6.1163 6.6463 6.6463 6.7197 6.7197 6.7271 6.7271 8.3376 8.3376 15.4016 15.4016 15.9431 15.9431 16.1091 16.1091 16.9923 16.9923 17.0981 17.0981 k = 0.0000 0.0000 0.4435 ( 2200 PWs) bands (ev): 2.7866 2.7866 3.4496 3.4496 3.5096 3.5096 3.5202 3.5202 3.9857 3.9857 4.0970 4.0970 4.7083 4.7083 4.9623 4.9623 5.3965 5.3965 5.6869 5.6869 6.0349 6.0349 6.1114 6.1114 6.1403 6.1403 6.6323 6.6323 6.7336 6.7336 6.7345 6.7345 8.1937 8.1937 15.4143 15.4143 16.0147 16.0147 16.1685 16.1685 17.0194 17.0194 17.1545 17.1545 k = 0.0000 0.0000 0.4578 ( 2200 PWs) bands (ev): 2.7992 2.7992 3.4506 3.4506 3.5034 3.5034 3.5142 3.5142 3.9772 3.9772 4.0923 4.0923 4.7584 4.7584 4.9636 4.9636 5.4017 5.4017 5.6972 5.6972 6.0414 6.0414 6.1235 6.1235 6.1683 6.1683 6.6188 6.6188 6.7402 6.7402 6.7464 6.7464 8.0548 8.0548 15.4260 15.4260 16.0864 16.0864 16.2286 16.2286 17.0448 17.0448 17.2097 17.2097 k = 0.0000 0.0000 0.4721 ( 2200 PWs) bands (ev): 2.8105 2.8105 3.4517 3.4517 3.4979 3.4979 3.5086 3.5086 3.9695 3.9695 4.0880 4.0880 4.8056 4.8056 4.9649 4.9649 5.4070 5.4070 5.7065 5.7065 6.0473 6.0473 6.1351 6.1351 6.2006 6.2006 6.6060 6.6060 6.7440 6.7440 6.7580 6.7580 7.9217 7.9217 15.4367 15.4367 16.1576 16.1576 16.2888 16.2888 17.0683 17.0683 17.2630 17.2630 k = 0.0000 0.0000 0.4864 ( 2200 PWs) bands (ev): 2.8206 2.8206 3.4528 3.4528 3.4929 3.4929 3.5034 3.5034 3.9627 3.9627 4.0842 4.0842 4.8490 4.8490 4.9660 4.9660 5.4122 5.4122 5.7148 5.7148 6.0527 6.0527 6.1459 6.1459 6.2377 6.2377 6.5940 6.5940 6.7453 6.7453 6.7683 6.7683 7.7954 7.7954 15.4464 15.4464 16.2274 16.2274 16.3482 16.3482 17.0896 17.0896 17.3142 17.3142 k = 0.0000 0.0000 0.5007 ( 2212 PWs) bands (ev): 2.8293 2.8293 3.4540 3.4540 3.4886 3.4886 3.4986 3.4986 3.9568 3.9568 4.0808 4.0808 4.8880 4.8880 4.9669 4.9669 5.4172 5.4172 5.7221 5.7221 6.0576 6.0576 6.1559 6.1559 6.2796 6.2796 6.5830 6.5830 6.7434 6.7434 6.7773 6.7773 7.6773 7.6773 15.4549 15.4549 16.2949 16.2949 16.4056 16.4056 17.1085 17.1085 17.3628 17.3628 k = 0.0000 0.0000 0.5150 ( 2212 PWs) bands (ev): 2.8367 2.8367 3.4552 3.4552 3.4848 3.4848 3.4944 3.4944 3.9517 3.9517 4.0779 4.0779 4.9218 4.9218 4.9677 4.9677 5.4219 5.4219 5.7283 5.7283 6.0617 6.0617 6.1648 6.1648 6.3264 6.3264 6.5731 6.5731 6.7374 6.7374 6.7850 6.7850 7.5692 7.5692 15.4622 15.4622 16.3586 16.3586 16.4596 16.4596 17.1250 17.1250 17.4088 17.4088 k = 0.0000 0.0000 0.5293 ( 2206 PWs) bands (ev): 2.8428 2.8428 3.4565 3.4565 3.4818 3.4818 3.4906 3.4906 3.9476 3.9476 4.0755 4.0755 4.9501 4.9501 4.9684 4.9684 5.4261 5.4261 5.7334 5.7334 6.0652 6.0652 6.1724 6.1724 6.3775 6.3775 6.5647 6.5647 6.7260 6.7260 6.7914 6.7914 7.4737 7.4737 15.4682 15.4682 16.4164 16.4164 16.5084 16.5084 17.1387 17.1387 17.4521 17.4521 k = 0.0000 0.0000 0.5436 ( 2212 PWs) bands (ev): 2.8475 2.8475 3.4576 3.4576 3.4794 3.4794 3.4875 3.4875 3.9443 3.9443 4.0736 4.0736 4.9689 4.9689 4.9723 4.9723 5.4296 5.4296 5.7374 5.7374 6.0680 6.0680 6.1786 6.1786 6.4319 6.4319 6.5579 6.5579 6.7074 6.7074 6.7963 6.7963 7.3938 7.3938 15.4729 15.4729 16.4658 16.4658 16.5499 16.5499 17.1495 17.1495 17.4922 17.4922 k = 0.0000 0.0000 0.5580 ( 2212 PWs) bands (ev): 2.8509 2.8509 3.4586 3.4586 3.4776 3.4776 3.4851 3.4851 3.9420 3.9420 4.0722 4.0722 4.9693 4.9693 4.9884 4.9884 5.4323 5.4323 5.7403 5.7403 6.0700 6.0700 6.1832 6.1832 6.4881 6.4881 6.5529 6.5529 6.6801 6.6801 6.7999 6.7999 7.3331 7.3331 15.4764 15.4764 16.5042 16.5042 16.5818 16.5818 17.1573 17.1573 17.5283 17.5283 k = 0.0000 0.0000 0.5723 ( 2224 PWs) bands (ev): 2.8529 2.8529 3.4593 3.4593 3.4766 3.4766 3.4835 3.4835 3.9406 3.9406 4.0714 4.0714 4.9695 4.9695 4.9980 4.9980 5.4339 5.4339 5.7420 5.7420 6.0712 6.0712 6.1860 6.1860 6.5435 6.5435 6.5498 6.5498 6.6435 6.6435 6.8020 6.8020 7.2952 7.2952 15.4784 15.4784 16.5287 16.5287 16.6020 16.6020 17.1620 17.1620 17.5565 17.5565 k = 0.0000 0.0000 0.5866 ( 2224 PWs) bands (ev): 2.8536 2.8536 3.4596 3.4596 3.4763 3.4763 3.4830 3.4830 3.9401 3.9401 4.0711 4.0711 4.9696 4.9696 5.0012 5.0012 5.4345 5.4345 5.7426 5.7426 6.0716 6.0716 6.1870 6.1870 6.5487 6.5487 6.5873 6.5873 6.6063 6.6063 6.8028 6.8028 7.2822 7.2822 15.4791 15.4791 16.5371 16.5371 16.6089 16.6089 17.1636 17.1636 17.5680 17.5680 k = 0.0000 0.0000 0.5866 ( 2224 PWs) bands (ev): 2.8536 2.8536 3.4596 3.4596 3.4763 3.4763 3.4830 3.4830 3.9401 3.9401 4.0711 4.0711 4.9696 4.9696 5.0012 5.0012 5.4345 5.4345 5.7426 5.7426 6.0716 6.0716 6.1870 6.1870 6.5487 6.5487 6.5873 6.5873 6.6063 6.6063 6.8028 6.8028 7.2822 7.2822 15.4791 15.4791 16.5371 16.5371 16.6089 16.6089 17.1636 17.1636 17.5680 17.5680 k = 0.0125 0.0072 0.5866 ( 2224 PWs) bands (ev): 2.8537 2.8537 3.4586 3.4586 3.4765 3.4765 3.4829 3.4829 3.9405 3.9405 4.0721 4.0721 4.9699 4.9699 5.0007 5.0007 5.4356 5.4356 5.7432 5.7432 6.0714 6.0714 6.1834 6.1834 6.5417 6.5417 6.5778 6.5778 6.6258 6.6258 6.8028 6.8028 7.2845 7.2845 15.4620 15.4620 16.5280 16.5280 16.5813 16.5813 17.1985 17.1985 17.5137 17.5137 k = 0.0250 0.0144 0.5866 ( 2220 PWs) bands (ev): 2.8540 2.8540 3.4555 3.4555 3.4772 3.4772 3.4827 3.4827 3.9417 3.9417 4.0751 4.0751 4.9703 4.9703 4.9997 4.9997 5.4387 5.4387 5.7450 5.7450 6.0710 6.0710 6.1733 6.1733 6.5224 6.5224 6.5758 6.5758 6.6558 6.6558 6.8031 6.8031 7.2914 7.2914 15.4115 15.4115 16.5000 16.5000 16.5155 16.5155 17.2733 17.2733 17.4186 17.4186 k = 0.0375 0.0217 0.5866 ( 2216 PWs) bands (ev): 2.8545 2.8545 3.4505 3.4505 3.4783 3.4783 3.4823 3.4823 3.9437 3.9437 4.0798 4.0798 4.9685 4.9685 5.0007 5.0007 5.4439 5.4439 5.7480 5.7480 6.0700 6.0700 6.1575 6.1575 6.4995 6.4995 6.5800 6.5800 6.6876 6.6876 6.8036 6.8036 7.3031 7.3031 15.3297 15.3297 16.4361 16.4361 16.4514 16.4514 17.2424 17.2424 17.4468 17.4468 k = 0.0500 0.0289 0.5866 ( 2220 PWs) bands (ev): 2.8552 2.8552 3.4438 3.4438 3.4798 3.4798 3.4819 3.4819 3.9464 3.9464 4.0862 4.0862 4.9624 4.9624 5.0059 5.0059 5.4509 5.4509 5.7519 5.7519 6.0679 6.0679 6.1379 6.1379 6.4768 6.4768 6.5869 6.5869 6.7196 6.7196 6.8046 6.8046 7.3200 7.3200 15.2203 15.2203 16.3561 16.3561 16.3793 16.3793 17.1336 17.1336 17.5672 17.5672 k = 0.0625 0.0361 0.5866 ( 2216 PWs) bands (ev): 2.8561 2.8561 3.4354 3.4354 3.4811 3.4811 3.4819 3.4819 3.9500 3.9500 4.0940 4.0940 4.9524 4.9524 5.0154 5.0154 5.4598 5.4598 5.7565 5.7565 6.0633 6.0633 6.1171 6.1171 6.4552 6.4552 6.5949 6.5949 6.7502 6.7502 6.8065 6.8065 7.3423 7.3423 15.0880 15.0880 16.2783 16.2783 16.2831 16.2831 17.0298 17.0298 17.6865 17.6866 k = 0.0750 0.0433 0.5866 ( 2210 PWs) bands (ev): 2.8573 2.8573 3.4256 3.4256 3.4804 3.4804 3.4841 3.4841 3.9543 3.9543 4.1028 4.1028 4.9395 4.9395 5.0284 5.0284 5.4704 5.4704 5.7617 5.7617 6.0524 6.0524 6.1001 6.1001 6.4349 6.4349 6.6032 6.6032 6.7769 6.7769 6.8113 6.8113 7.3704 7.3704 14.9375 14.9375 16.1621 16.1621 16.2048 16.2048 16.9394 16.9394 17.7748 17.7748 k = 0.0875 0.0505 0.5866 ( 2218 PWs) bands (ev): 2.8586 2.8586 3.4145 3.4145 3.4795 3.4795 3.4867 3.4867 3.9593 3.9593 4.1124 4.1124 4.9246 4.9246 5.0444 5.0444 5.4825 5.4825 5.7672 5.7672 6.0322 6.0322 6.0909 6.0909 6.4158 6.4158 6.6114 6.6114 6.7933 6.7933 6.8249 6.8249 7.4044 7.4044 14.7732 14.7732 16.0220 16.0220 16.1324 16.1324 16.8617 16.8617 17.8105 17.8105 k = 0.1000 0.0577 0.5866 ( 2210 PWs) bands (ev): 2.8602 2.8602 3.4025 3.4025 3.4784 3.4784 3.4897 3.4897 3.9652 3.9652 4.1225 4.1225 4.9084 4.9084 5.0632 5.0632 5.4961 5.4961 5.7725 5.7725 6.0058 6.0058 6.0872 6.0872 6.3978 6.3978 6.6190 6.6190 6.7994 6.7994 6.8470 6.8470 7.4445 7.4445 14.5986 14.5986 15.8672 15.8672 16.0608 16.0608 16.7939 16.7939 17.8009 17.8010 k = 0.1125 0.0650 0.5866 ( 2208 PWs) bands (ev): 2.8620 2.8620 3.3896 3.3896 3.4771 3.4771 3.4931 3.4931 3.9718 3.9718 4.1327 4.1327 4.8913 4.8913 5.0845 5.0845 5.5110 5.5110 5.7772 5.7772 5.9771 5.9771 6.0859 6.0859 6.3811 6.3811 6.6256 6.6256 6.8024 6.8024 6.8707 6.8707 7.4905 7.4905 14.4163 14.4163 15.7019 15.7019 15.9892 15.9892 16.7327 16.7327 17.7647 17.7647 k = 0.1250 0.0722 0.5866 ( 2208 PWs) bands (ev): 2.8640 2.8640 3.3760 3.3760 3.4757 3.4757 3.4967 3.4967 3.9791 3.9791 4.1426 4.1426 4.8738 4.8738 5.1083 5.1083 5.5272 5.5272 5.7809 5.7809 5.9484 5.9484 6.0856 6.0856 6.3655 6.3655 6.6311 6.6311 6.8045 6.8045 6.8936 6.8936 7.5421 7.5421 14.2285 14.2285 15.5297 15.5297 15.9171 15.9171 16.6759 16.6759 17.7135 17.7135 k = 0.1375 0.0794 0.5866 ( 2200 PWs) bands (ev): 2.8663 2.8663 3.3619 3.3619 3.4741 3.4741 3.5005 3.5005 3.9872 3.9872 4.1521 4.1521 4.8562 4.8562 5.1344 5.1344 5.5445 5.5445 5.7826 5.7826 5.9211 5.9211 6.0859 6.0859 6.3512 6.3512 6.6352 6.6352 6.8062 6.8062 6.9157 6.9157 7.5989 7.5989 14.0367 14.0367 15.3531 15.3531 15.8443 15.8443 16.6220 16.6220 17.6535 17.6535 k = 0.1500 0.0866 0.5866 ( 2204 PWs) bands (ev): 2.8688 2.8688 3.3474 3.3474 3.4723 3.4723 3.5046 3.5046 3.9959 3.9959 4.1607 4.1607 4.8389 4.8389 5.1626 5.1626 5.5629 5.5629 5.7811 5.7811 5.8968 5.8968 6.0864 6.0864 6.3383 6.3383 6.6381 6.6381 6.8077 6.8077 6.9373 6.9373 7.6606 7.6606 13.8422 13.8422 15.1738 15.1738 15.7708 15.7708 16.5700 16.5700 17.5882 17.5882 k = 0.1625 0.0938 0.5866 ( 2204 PWs) bands (ev): 2.8716 2.8716 3.3327 3.3327 3.4704 3.4704 3.5088 3.5088 4.0051 4.0051 4.1683 4.1683 4.8222 4.8222 5.1926 5.1926 5.5821 5.5821 5.7749 5.7749 5.8775 5.8775 6.0868 6.0868 6.3270 6.3270 6.6396 6.6396 6.8088 6.8088 6.9588 6.9588 7.7266 7.7266 13.6458 13.6458 14.9929 14.9929 15.6968 15.6968 16.5194 16.5194 17.5197 17.5197 k = 0.1750 0.1010 0.5866 ( 2200 PWs) bands (ev): 2.8746 2.8746 3.3178 3.3178 3.4682 3.4682 3.5133 3.5133 4.0149 4.0149 4.1748 4.1748 4.8066 4.8066 5.2242 5.2242 5.6020 5.6020 5.7630 5.7630 5.8645 5.8645 6.0870 6.0870 6.3175 6.3175 6.6399 6.6399 6.8094 6.8094 6.9806 6.9806 7.7965 7.7965 13.4484 13.4484 14.8113 14.8113 15.6224 15.6224 16.4701 16.4701 17.4494 17.4494 k = 0.1875 0.1083 0.5866 ( 2200 PWs) bands (ev): 2.8780 2.8780 3.3029 3.3029 3.4658 3.4658 3.5179 3.5179 4.0249 4.0249 4.1800 4.1800 4.7921 4.7921 5.2569 5.2569 5.6222 5.6222 5.7465 5.7465 5.8574 5.8574 6.0867 6.0867 6.3099 6.3099 6.6392 6.6392 6.8094 6.8094 7.0032 7.0032 7.8700 7.8700 13.2505 13.2505 14.6298 14.6298 15.5480 15.5480 16.4218 16.4218 17.3782 17.3782 k = 0.2000 0.1155 0.5866 ( 2196 PWs) bands (ev): 2.8816 2.8816 3.2880 3.2880 3.4632 3.4632 3.5226 3.5226 4.0351 4.0351 4.1838 4.1838 4.7792 4.7792 5.2903 5.2903 5.6418 5.6418 5.7285 5.7285 5.8541 5.8541 6.0858 6.0858 6.3044 6.3044 6.6375 6.6375 6.8087 6.8087 7.0270 7.0270 7.9467 7.9467 13.0527 13.0527 14.4487 14.4487 15.4739 15.4739 16.3747 16.3747 17.3069 17.3069 k = 0.2125 0.1227 0.5866 ( 2196 PWs) bands (ev): 2.8855 2.8855 3.2732 3.2732 3.4604 3.4604 3.5275 3.5275 4.0451 4.0451 4.1865 4.1865 4.7679 4.7679 5.3234 5.3234 5.6577 5.6577 5.7142 5.7142 5.8531 5.8531 6.0840 6.0840 6.3011 6.3011 6.6350 6.6350 6.8073 6.8073 7.0523 7.0523 8.0264 8.0264 12.8553 12.8553 14.2685 14.2685 15.4004 15.4004 16.3286 16.3286 17.2360 17.2360 k = 0.2250 0.1299 0.5866 ( 2200 PWs) bands (ev): 2.8896 2.8896 3.2585 3.2585 3.4573 3.4573 3.5325 3.5325 4.0546 4.0546 4.1883 4.1883 4.7584 4.7584 5.3551 5.3551 5.6618 5.6618 5.7137 5.7137 5.8533 5.8533 6.0813 6.0813 6.3001 6.3001 6.6320 6.6320 6.8050 6.8050 7.0794 7.0794 8.1088 8.1088 12.6587 12.6587 14.0895 14.0895 15.3277 15.3277 16.2839 16.2839 17.1661 17.1661 k = 0.2375 0.1371 0.5866 ( 2204 PWs) bands (ev): 2.8941 2.8941 3.2441 3.2441 3.4540 3.4540 3.5376 3.5376 4.0631 4.0631 4.1897 4.1897 4.7508 4.7508 5.3840 5.3840 5.6541 5.6541 5.7284 5.7284 5.8545 5.8545 6.0777 6.0777 6.3014 6.3014 6.6285 6.6285 6.8018 6.8018 7.1086 7.1086 8.1937 8.1937 12.4633 12.4633 13.9118 13.9118 15.2561 15.2561 16.2404 16.2404 17.0974 17.0974 k = 0.2500 0.1443 0.5866 ( 2204 PWs) bands (ev): 2.8988 2.8988 3.2300 3.2300 3.4505 3.4505 3.5428 3.5428 4.0698 4.0698 4.1913 4.1913 4.7450 4.7450 5.4076 5.4076 5.6463 5.6463 5.7484 5.7484 5.8566 5.8566 6.0732 6.0732 6.3047 6.3047 6.6247 6.6247 6.7979 6.7979 7.1402 7.1402 8.2809 8.2809 12.2693 12.2693 13.7359 13.7359 15.1860 15.1860 16.1984 16.1984 17.0304 17.0304 k = 0.2625 0.1516 0.5866 ( 2210 PWs) bands (ev): 2.9038 2.9038 3.2161 3.2161 3.4468 3.4468 3.5480 3.5480 4.0740 4.0740 4.1939 4.1939 4.7412 4.7412 5.4235 5.4235 5.6446 5.6446 5.7693 5.7693 5.8602 5.8602 6.0679 6.0679 6.3098 6.3098 6.6209 6.6209 6.7931 6.7931 7.1746 7.1746 8.3703 8.3703 12.0770 12.0770 13.5617 13.5617 15.1176 15.1176 16.1579 16.1579 16.9653 16.9653 k = 0.2750 0.1588 0.5866 ( 2212 PWs) bands (ev): 2.9091 2.9091 3.2026 3.2026 3.4428 3.4428 3.5534 3.5534 4.0753 4.0753 4.1981 4.1981 4.7390 4.7390 5.4299 5.4299 5.6513 5.6513 5.7889 5.7889 5.8664 5.8664 6.0622 6.0622 6.3165 6.3165 6.6171 6.6171 6.7876 6.7876 7.2120 7.2120 8.4618 8.4618 11.8867 11.8867 13.3895 13.3895 15.0512 15.0512 16.1189 16.1189 16.9024 16.9024 k = 0.2875 0.1660 0.5866 ( 2212 PWs) bands (ev): 2.9147 2.9147 3.1895 3.1895 3.4387 3.4387 3.5588 3.5588 4.0732 4.0732 4.2042 4.2042 4.7386 4.7386 5.4273 5.4273 5.6658 5.6658 5.8053 5.8053 5.8766 5.8766 6.0560 6.0560 6.3245 6.3245 6.6135 6.6135 6.7812 6.7812 7.2528 7.2528 8.5552 8.5552 11.6986 11.6986 13.2195 13.2195 14.9870 14.9870 16.0817 16.0817 16.8419 16.8420 k = 0.3000 0.1732 0.5866 ( 2216 PWs) bands (ev): 2.9204 2.9204 3.1768 3.1768 3.4343 3.4343 3.5643 3.5643 4.0682 4.0682 4.2123 4.2123 4.7397 4.7397 5.4181 5.4181 5.6854 5.6854 5.8175 5.8175 5.8919 5.8919 6.0496 6.0496 6.3334 6.3334 6.6103 6.6103 6.7742 6.7742 7.2972 7.2972 8.6505 8.6505 11.5129 11.5129 13.0517 13.0517 14.9253 14.9253 16.0462 16.0462 16.7841 16.7841 k = 0.3125 0.1804 0.5866 ( 2212 PWs) bands (ev): 2.9264 2.9264 3.1646 3.1646 3.4298 3.4298 3.5699 3.5699 4.0606 4.0606 4.2218 4.2218 4.7421 4.7421 5.4046 5.4046 5.7070 5.7070 5.8262 5.8262 5.9116 5.9116 6.0432 6.0432 6.3431 6.3431 6.6076 6.6076 6.7664 6.7664 7.3457 7.3457 8.7474 8.7474 11.3298 11.3298 12.8864 12.8864 14.8662 14.8662 16.0126 16.0126 16.7289 16.7289 k = 0.3250 0.1876 0.5866 ( 2220 PWs) bands (ev): 2.9326 2.9326 3.1528 3.1528 3.4252 3.4252 3.5755 3.5755 4.0510 4.0510 4.2324 4.2324 4.7458 4.7458 5.3888 5.3888 5.7283 5.7283 5.8332 5.8332 5.9340 5.9340 6.0369 6.0369 6.3531 6.3531 6.6054 6.6054 6.7580 6.7580 7.3983 7.3983 8.8460 8.8460 11.1496 11.1496 12.7236 12.7236 14.8100 14.8100 15.9808 15.9808 16.6767 16.6767 k = 0.3375 0.1949 0.5866 ( 2218 PWs) bands (ev): 2.9390 2.9390 3.1415 3.1415 3.4206 3.4206 3.5811 3.5811 4.0401 4.0401 4.2434 4.2434 4.7505 4.7505 5.3718 5.3718 5.7475 5.7475 5.8403 5.8403 5.9576 5.9576 6.0309 6.0309 6.3633 6.3633 6.6040 6.6040 6.7490 6.7490 7.4555 7.4555 8.9460 8.9460 10.9726 10.9726 12.5637 12.5637 14.7568 14.7568 15.9510 15.9510 16.6276 16.6276 k = 0.3500 0.2021 0.5866 ( 2218 PWs) bands (ev): 2.9456 2.9456 3.1306 3.1306 3.4159 3.4159 3.5867 3.5867 4.0284 4.0284 4.2546 4.2546 4.7562 4.7562 5.3544 5.3544 5.7632 5.7632 5.8486 5.8486 5.9814 5.9814 6.0252 6.0252 6.3736 6.3736 6.6032 6.6032 6.7395 6.7395 7.5172 7.5172 9.0474 9.0474 10.7990 10.7990 12.4066 12.4066 14.7069 14.7069 15.9233 15.9233 16.5816 16.5816 k = 0.3625 0.2093 0.5866 ( 2222 PWs) bands (ev): 2.9522 2.9522 3.1202 3.1202 3.4112 3.4112 3.5923 3.5923 4.0162 4.0162 4.2657 4.2657 4.7625 4.7625 5.3371 5.3371 5.7749 5.7749 5.8586 5.8586 6.0039 6.0039 6.0206 6.0206 6.3838 6.3838 6.6031 6.6031 6.7295 6.7295 7.5835 7.5835 9.1498 9.1498 10.6292 10.6292 12.2526 12.2526 14.6603 14.6603 15.8975 15.8975 16.5389 16.5389 k = 0.3750 0.2165 0.5866 ( 2226 PWs) bands (ev): 2.9590 2.9590 3.1103 3.1103 3.4066 3.4066 3.5978 3.5978 4.0039 4.0039 4.2764 4.2764 4.7694 4.7694 5.3202 5.3202 5.7830 5.7830 5.8700 5.8700 6.0125 6.0125 6.0294 6.0294 6.3939 6.3939 6.6035 6.6035 6.7193 6.7193 7.6544 7.6544 9.2530 9.2530 10.4636 10.4636 12.1021 12.1021 14.6173 14.6173 15.8739 15.8739 16.4997 16.4997 k = 0.3875 0.2237 0.5866 ( 2220 PWs) bands (ev): 2.9658 2.9658 3.1009 3.1009 3.4022 3.4022 3.6032 3.6032 3.9918 3.9918 4.2865 4.2865 4.7767 4.7767 5.3040 5.3040 5.7883 5.7883 5.8820 5.8820 6.0087 6.0087 6.0497 6.0497 6.4039 6.4039 6.6042 6.6042 6.7089 6.7089 7.7295 7.7295 9.3566 9.3566 10.3028 10.3028 11.9553 11.9553 14.5780 14.5780 15.8524 15.8524 16.4639 16.4639 k = 0.4000 0.2309 0.5866 ( 2222 PWs) bands (ev): 2.9726 2.9726 3.0919 3.0919 3.3980 3.3980 3.6083 3.6083 3.9801 3.9801 4.2958 4.2958 4.7842 4.7842 5.2886 5.2886 5.7917 5.7917 5.8937 5.8937 6.0046 6.0046 6.0689 6.0689 6.4138 6.4138 6.6049 6.6049 6.6987 6.6987 7.8085 7.8085 9.4598 9.4598 10.1477 10.1477 11.8128 11.8128 14.5425 14.5425 15.8330 15.8330 16.4316 16.4316 k = 0.4125 0.2382 0.5866 ( 2214 PWs) bands (ev): 2.9794 2.9794 3.0833 3.0833 3.3940 3.3940 3.6132 3.6132 3.9691 3.9691 4.3043 4.3043 4.7917 4.7917 5.2743 5.2743 5.7940 5.7940 5.9045 5.9045 6.0008 6.0008 6.0863 6.0863 6.4237 6.4237 6.6052 6.6052 6.6889 6.6889 7.8906 7.8906 9.5612 9.5612 9.9998 9.9998 11.6752 11.6752 14.5109 14.5109 15.8159 15.8159 16.4031 16.4031 k = 0.4250 0.2454 0.5866 ( 2214 PWs) bands (ev): 2.9862 2.9862 3.0752 3.0752 3.3905 3.3905 3.6178 3.6178 3.9590 3.9590 4.3118 4.3118 4.7989 4.7989 5.2614 5.2614 5.7954 5.7954 5.9141 5.9141 5.9976 5.9976 6.1015 6.1015 6.4336 6.4336 6.6048 6.6048 6.6800 6.6800 7.9747 7.9747 9.6553 9.6553 9.8648 9.8648 11.5436 11.5436 14.4833 14.4833 15.8010 15.8010 16.3781 16.3781 k = 0.4375 0.2526 0.5866 ( 2214 PWs) bands (ev): 2.9929 2.9929 3.0674 3.0674 3.3873 3.3873 3.6219 3.6219 3.9501 3.9501 4.3183 4.3183 4.8056 4.8056 5.2499 5.2499 5.7964 5.7964 5.9223 5.9223 5.9947 5.9947 6.1144 6.1144 6.4434 6.4434 6.6031 6.6031 6.6725 6.6725 8.0591 8.0591 9.6819 9.6819 9.8032 9.8032 11.4194 11.4194 14.4598 14.4598 15.7884 15.7884 16.3570 16.3570 k = 0.4500 0.2598 0.5866 ( 2212 PWs) bands (ev): 2.9995 2.9995 3.0601 3.0601 3.3846 3.3846 3.6255 3.6255 3.9424 3.9424 4.3236 4.3236 4.8115 4.8115 5.2401 5.2401 5.7971 5.7971 5.9291 5.9291 5.9924 5.9924 6.1250 6.1250 6.4528 6.4528 6.6000 6.6000 6.6668 6.6668 8.1413 8.1413 9.5818 9.5818 9.8742 9.8742 11.3052 11.3052 14.4404 14.4404 15.7780 15.7780 16.3396 16.3396 k = 0.4625 0.2670 0.5866 ( 2212 PWs) bands (ev): 3.0057 3.0057 3.0533 3.0533 3.3825 3.3825 3.6284 3.6284 3.9363 3.9363 4.3278 4.3278 4.8165 4.8165 5.2322 5.2322 5.7976 5.7976 5.9343 5.9343 5.9905 5.9905 6.1332 6.1332 6.4615 6.4615 6.5959 6.5959 6.6628 6.6628 8.2173 8.2173 9.4782 9.4782 9.9549 9.9549 11.2045 11.2045 14.4253 14.4253 15.7699 15.7699 16.3261 16.3261 k = 0.4750 0.2742 0.5866 ( 2212 PWs) bands (ev): 3.0115 3.0115 3.0471 3.0471 3.3809 3.3809 3.6305 3.6305 3.9317 3.9317 4.3309 4.3309 4.8202 4.8202 5.2264 5.2264 5.7978 5.7978 5.9381 5.9381 5.9892 5.9892 6.1390 6.1390 6.4687 6.4687 6.5916 6.5916 6.6604 6.6604 8.2812 8.2812 9.3932 9.3932 10.0234 10.0234 11.1232 11.1232 14.4145 14.4145 15.7641 15.7641 16.3164 16.3164 k = 0.4875 0.2815 0.5866 ( 2212 PWs) bands (ev): 3.0162 3.0162 3.0422 3.0422 3.3799 3.3799 3.6318 3.6318 3.9290 3.9290 4.3327 4.3327 4.8225 4.8225 5.2228 5.2228 5.7980 5.7980 5.9404 5.9404 5.9884 5.9884 6.1425 6.1425 6.4735 6.4735 6.5882 6.5882 6.6592 6.6592 8.3251 8.3251 9.3364 9.3364 10.0702 10.0702 11.0690 11.0690 14.4080 14.4080 15.7606 15.7606 16.3105 16.3105 k = 0.5000 0.2887 0.5866 ( 2208 PWs) bands (ev): 3.0182 3.0182 3.0402 3.0402 3.3796 3.3796 3.6323 3.6323 3.9281 3.9281 4.3333 4.3333 4.8233 4.8233 5.2216 5.2216 5.7981 5.7981 5.9411 5.9411 5.9881 5.9881 6.1437 6.1437 6.4753 6.4753 6.5870 6.5870 6.6588 6.6588 8.3409 8.3409 9.3162 9.3162 10.0870 10.0870 11.0497 11.0497 14.4059 14.4059 15.7595 15.7595 16.3086 16.3086 k = 0.5000 0.2887 0.5866 ( 2208 PWs) bands (ev): 3.0182 3.0182 3.0402 3.0402 3.3796 3.3796 3.6323 3.6323 3.9281 3.9281 4.3333 4.3333 4.8233 4.8233 5.2216 5.2216 5.7981 5.7981 5.9411 5.9411 5.9881 5.9881 6.1437 6.1437 6.4753 6.4753 6.5870 6.5870 6.6588 6.6588 8.3409 8.3409 9.3162 9.3162 10.0870 10.0870 11.0497 11.0497 14.4059 14.4059 15.7595 15.7595 16.3086 16.3086 k = 0.4931 0.3007 0.5866 ( 2212 PWs) bands (ev): 3.0145 3.0145 3.0435 3.0435 3.3802 3.3802 3.6313 3.6313 3.9298 3.9298 4.3334 4.3334 4.8225 4.8225 5.2213 5.2213 5.7967 5.7967 5.9422 5.9422 5.9883 5.9883 6.1424 6.1424 6.4727 6.4727 6.5908 6.5908 6.6583 6.6583 8.3445 8.3445 9.3166 9.3166 10.0876 10.0876 11.0526 11.0526 14.3669 14.3669 15.7797 15.7797 16.2874 16.2874 k = 0.4861 0.3127 0.5866 ( 2208 PWs) bands (ev): 3.0066 3.0066 3.0504 3.0504 3.3819 3.3819 3.6284 3.6284 3.9351 3.9351 4.3337 4.3337 4.8199 4.8199 5.2205 5.2205 5.7928 5.7928 5.9453 5.9453 5.9890 5.9890 6.1386 6.1386 6.4659 6.4659 6.6007 6.6007 6.6570 6.6570 8.3553 8.3553 9.3178 9.3178 10.0893 10.0893 11.0613 11.0613 14.2610 14.2610 15.8052 15.8052 16.2652 16.2652 k = 0.4792 0.3248 0.5866 ( 2216 PWs) bands (ev): 2.9973 2.9973 3.0581 3.0581 3.3845 3.3845 3.6239 3.6239 3.9434 3.9434 4.3342 4.3342 4.8158 4.8158 5.2190 5.2190 5.7869 5.7869 5.9496 5.9496 5.9902 5.9902 6.1329 6.1329 6.4568 6.4568 6.6131 6.6131 6.6568 6.6568 8.3731 8.3731 9.3198 9.3198 10.0920 10.0920 11.0758 11.0758 14.1098 14.1098 15.7607 15.7607 16.3242 16.3242 k = 0.4722 0.3368 0.5866 ( 2220 PWs) bands (ev): 2.9873 2.9873 3.0659 3.0659 3.3880 3.3880 3.6183 3.6183 3.9545 3.9545 4.3350 4.3350 4.8101 4.8101 5.2170 5.2170 5.7795 5.7795 5.9538 5.9538 5.9924 5.9924 6.1261 6.1261 6.4468 6.4468 6.6214 6.6214 6.6623 6.6623 8.3979 8.3979 9.3227 9.3227 10.0959 10.0959 11.0959 11.0959 13.9318 13.9318 15.6404 15.6404 16.4711 16.4711 k = 0.4653 0.3488 0.5866 ( 2222 PWs) bands (ev): 2.9771 2.9771 3.0734 3.0734 3.3920 3.3920 3.6121 3.6121 3.9678 3.9678 4.3358 4.3358 4.8030 4.8030 5.2144 5.2144 5.7711 5.7711 5.9563 5.9563 5.9961 5.9961 6.1190 6.1190 6.4366 6.4366 6.6206 6.6206 6.6774 6.6774 8.4295 8.4295 9.3264 9.3264 10.1009 10.1009 11.1216 11.1216 13.7383 13.7383 15.4840 15.4840 16.6645 16.6645 k = 0.4583 0.3608 0.5866 ( 2222 PWs) bands (ev): 2.9668 2.9668 3.0808 3.0808 3.3963 3.3963 3.6058 3.6058 3.9828 3.9828 4.3369 4.3369 4.7947 4.7947 5.2111 5.2111 5.7622 5.7622 5.9557 5.9557 6.0020 6.0020 6.1127 6.1127 6.4266 6.4266 6.6137 6.6137 6.6984 6.6984 8.4677 8.4677 9.3312 9.3312 10.1070 10.1070 11.1528 11.1528 13.5363 13.5363 15.3125 15.3125 16.8818 16.8818 k = 0.4514 0.3729 0.5866 ( 2222 PWs) bands (ev): 2.9565 2.9565 3.0879 3.0879 3.4006 3.4006 3.6001 3.6001 3.9991 3.9991 4.3381 4.3381 4.7854 4.7854 5.2072 5.2072 5.7531 5.7531 5.9513 5.9513 6.0099 6.0099 6.1081 6.1081 6.4169 6.4169 6.6038 6.6038 6.7219 6.7219 8.5121 8.5121 9.3371 9.3371 10.1142 10.1142 11.1894 11.1894 13.3296 13.3296 15.1346 15.1346 17.1130 17.1130 k = 0.4444 0.3849 0.5866 ( 2222 PWs) bands (ev): 2.9463 2.9463 3.0948 3.0948 3.4044 3.4044 3.5952 3.5952 4.0163 4.0163 4.3393 4.3393 4.7753 4.7753 5.2028 5.2028 5.7442 5.7442 5.9432 5.9432 6.0193 6.0193 6.1060 6.1060 6.4073 6.4073 6.5920 6.5920 6.7465 6.7465 8.5626 8.5626 9.3441 9.3441 10.1225 10.1225 11.2311 11.2311 13.1209 13.1209 14.9542 14.9542 17.3533 17.3533 k = 0.4375 0.3969 0.5866 ( 2222 PWs) bands (ev): 2.9363 2.9363 3.1014 3.1014 3.4075 3.4075 3.5916 3.5916 4.0341 4.0341 4.3405 4.3405 4.7648 4.7648 5.1977 5.1977 5.7356 5.7356 5.9320 5.9320 6.0296 6.0296 6.1063 6.1063 6.3980 6.3980 6.5787 6.5787 6.7713 6.7713 8.6187 8.6187 9.3525 9.3525 10.1319 10.1319 11.2779 11.2779 12.9115 12.9115 14.7733 14.7733 17.6001 17.6001 k = 0.4306 0.4090 0.5866 ( 2222 PWs) bands (ev): 2.9266 2.9266 3.1078 3.1078 3.4096 3.4096 3.5895 3.5895 4.0522 4.0522 4.3415 4.3415 4.7541 4.7541 5.1919 5.1919 5.7276 5.7276 5.9185 5.9185 6.0404 6.0404 6.1091 6.1091 6.3889 6.3889 6.5644 6.5644 6.7960 6.7960 8.6803 8.6803 9.3624 9.3624 10.1424 10.1424 11.3295 11.3295 12.7027 12.7027 14.5933 14.5933 17.8517 17.8517 k = 0.4236 0.4210 0.5866 ( 2226 PWs) bands (ev): 2.9173 2.9173 3.1138 3.1138 3.4107 3.4107 3.5890 3.5890 4.0703 4.0703 4.3423 4.3423 4.7437 4.7437 5.1856 5.1856 5.7201 5.7201 5.9033 5.9033 6.0516 6.0516 6.1139 6.1139 6.3798 6.3798 6.5493 6.5493 6.8201 6.8201 8.7469 8.7469 9.3739 9.3739 10.1539 10.1539 11.3858 11.3858 12.4951 12.4951 14.4150 14.4150 18.1069 18.1069 k = 0.4167 0.4330 0.5866 ( 2218 PWs) bands (ev): 2.9085 2.9085 3.1196 3.1196 3.4106 3.4106 3.5901 3.5901 4.0882 4.0882 4.3426 4.3426 4.7339 4.7339 5.1786 5.1787 5.7135 5.7135 5.8873 5.8873 6.0628 6.0628 6.1205 6.1205 6.3708 6.3708 6.5337 6.5337 6.8435 6.8435 8.8183 8.8183 9.3872 9.3872 10.1664 10.1664 11.4465 11.4465 12.2894 12.2894 14.2390 14.2390 18.3651 18.3651 k = 0.4097 0.4450 0.5866 ( 2222 PWs) bands (ev): 2.9002 2.9002 3.1251 3.1251 3.4096 3.4096 3.5925 3.5925 4.1057 4.1057 4.3422 4.3422 4.7250 4.7250 5.1712 5.1712 5.7077 5.7077 5.8709 5.8709 6.0740 6.0740 6.1285 6.1285 6.3616 6.3616 6.5179 6.5179 6.8658 6.8658 8.8939 8.8939 9.4027 9.4027 10.1797 10.1797 11.5115 11.5115 12.0861 12.0861 14.0657 14.0657 18.6254 18.6254 k = 0.4028 0.4571 0.5866 ( 2218 PWs) bands (ev): 2.8925 2.8925 3.1302 3.1302 3.4077 3.4077 3.5961 3.5961 4.1228 4.1228 4.3409 4.3409 4.7174 4.7174 5.1633 5.1633 5.7028 5.7028 5.8545 5.8545 6.0849 6.0849 6.1377 6.1377 6.3524 6.3524 6.5021 6.5021 6.8868 6.8868 8.9733 8.9733 9.4205 9.4205 10.1939 10.1939 11.5805 11.5805 11.8858 11.8858 13.8956 13.8956 18.8872 18.8872 k = 0.3958 0.4691 0.5866 ( 2218 PWs) bands (ev): 2.8854 2.8854 3.1350 3.1350 3.4053 3.4053 3.6004 3.6004 4.1394 4.1394 4.3384 4.3384 4.7114 4.7114 5.1550 5.1550 5.6988 5.6988 5.8386 5.8386 6.0954 6.0954 6.1481 6.1481 6.3430 6.3430 6.4865 6.4865 6.9064 6.9064 9.0560 9.0560 9.4410 9.4410 10.2087 10.2087 11.6502 11.6502 11.6917 11.6917 13.7292 13.7292 19.1500 19.1500 k = 0.3889 0.4811 0.5866 ( 2220 PWs) bands (ev): 2.8790 2.8790 3.1393 3.1393 3.4026 3.4026 3.6051 3.6051 4.1553 4.1553 4.3347 4.3347 4.7072 4.7072 5.1465 5.1465 5.6957 5.6957 5.8234 5.8234 6.1054 6.1054 6.1594 6.1594 6.3334 6.3334 6.4714 6.4714 6.9244 6.9244 9.1411 9.1411 9.4648 9.4648 10.2241 10.2241 11.4934 11.4934 11.7316 11.7316 13.5668 13.5668 19.4131 19.4131 k = 0.3819 0.4932 0.5866 ( 2222 PWs) bands (ev): 2.8733 2.8733 3.1432 3.1432 3.3998 3.3998 3.6100 3.6100 4.1706 4.1706 4.3296 4.3296 4.7048 4.7048 5.1380 5.1380 5.6936 5.6936 5.8091 5.8091 6.1148 6.1148 6.1714 6.1714 6.3236 6.3236 6.4571 6.4571 6.9405 6.9405 9.2275 9.2275 9.4926 9.4926 10.2396 10.2396 11.3042 11.3042 11.8116 11.8116 13.4090 13.4090 19.6756 19.6756 k = 0.3750 0.5052 0.5866 ( 2222 PWs) bands (ev): 2.8684 2.8684 3.1465 3.1465 3.3971 3.3971 3.6146 3.6146 4.1852 4.1852 4.3231 4.3231 4.7040 4.7040 5.1296 5.1296 5.6923 5.6923 5.7960 5.7960 6.1235 6.1235 6.1840 6.1840 6.3135 6.3135 6.4437 6.4437 6.9547 6.9547 9.3130 9.3130 9.5258 9.5258 10.2551 10.2551 11.1197 11.1197 11.8951 11.8951 13.2563 13.2563 19.9367 19.9367 k = 0.3681 0.5172 0.5866 ( 2222 PWs) bands (ev): 2.8642 2.8642 3.1494 3.1494 3.3946 3.3946 3.6189 3.6189 4.1993 4.1993 4.3153 4.3153 4.7047 4.7047 5.1217 5.1217 5.6918 5.6918 5.7842 5.7842 6.1313 6.1313 6.1969 6.1969 6.3032 6.3032 6.4316 6.4316 6.9668 6.9668 9.3943 9.3943 9.5668 9.5668 10.2702 10.2702 10.9414 10.9414 11.9816 11.9816 13.1093 13.1093 20.1947 20.1947 k = 0.3611 0.5292 0.5866 ( 2222 PWs) bands (ev): 2.8607 2.8607 3.1518 3.1518 3.3925 3.3925 3.6226 3.6226 4.2127 4.2127 4.3064 4.3064 4.7064 4.7064 5.1144 5.1144 5.6919 5.6919 5.7740 5.7740 6.1383 6.1383 6.2098 6.2098 6.2929 6.2929 6.4210 6.4210 6.9769 6.9769 9.4666 9.4666 9.6184 9.6184 10.2843 10.2843 10.7713 10.7713 12.0708 12.0708 12.9689 12.9689 20.4475 20.4475 k = 0.3542 0.5413 0.5866 ( 2210 PWs) bands (ev): 2.8581 2.8581 3.1536 3.1536 3.3907 3.3907 3.6257 3.6257 4.2255 4.2255 4.2967 4.2967 4.7087 4.7087 5.1082 5.1082 5.6925 5.6925 5.7656 5.7656 6.1442 6.1442 6.2221 6.2221 6.2829 6.2829 6.4120 6.4120 6.9847 6.9847 9.5267 9.5267 9.6797 9.6797 10.2969 10.2969 10.6136 10.6136 12.1620 12.1620 12.8364 12.8364 20.6910 20.6910 k = 0.3472 0.5533 0.5866 ( 2218 PWs) bands (ev): 2.8562 2.8562 3.1549 3.1549 3.3895 3.3895 3.6279 3.6279 4.2376 4.2376 4.2865 4.2865 4.7109 4.7109 5.1034 5.1034 5.6933 5.6933 5.7593 5.7593 6.1489 6.1489 6.2332 6.2332 6.2737 6.2737 6.4051 6.4051 6.9903 6.9903 9.5762 9.5762 9.7410 9.7410 10.3073 10.3073 10.4767 10.4767 12.2536 12.2536 12.7141 12.7141 20.9167 20.9167 k = 0.3403 0.5653 0.5866 ( 2220 PWs) bands (ev): 2.8551 2.8551 3.1557 3.1557 3.3887 3.3887 3.6292 3.6292 4.2484 4.2484 4.2767 4.2767 4.7125 4.7125 5.1003 5.1003 5.6938 5.6938 5.7554 5.7554 6.1519 6.1519 6.2417 6.2417 6.2665 6.2665 6.4006 6.4006 6.9936 6.9936 9.6160 9.6160 9.7839 9.7839 10.3150 10.3150 10.3775 10.3775 12.3397 12.3397 12.6088 12.6088 21.1055 21.1055 k = 0.3333 0.5774 0.5866 ( 2220 PWs) bands (ev): 2.8547 2.8547 3.1559 3.1559 3.3884 3.3884 3.6297 3.6297 4.2543 4.2543 4.2712 4.2712 4.7132 4.7132 5.0992 5.0992 5.6941 5.6941 5.7541 5.7541 6.1530 6.1530 6.2449 6.2449 6.2637 6.2637 6.3990 6.3990 6.9947 6.9947 9.6360 9.6360 9.7947 9.7947 10.3195 10.3195 10.3395 10.3395 12.3873 12.3873 12.5545 12.5545 21.1945 21.1945 k = 0.3333 0.5774 0.5866 ( 2220 PWs) bands (ev): 2.8547 2.8547 3.1559 3.1559 3.3884 3.3884 3.6297 3.6297 4.2543 4.2543 4.2712 4.2712 4.7132 4.7132 5.0992 5.0992 5.6941 5.6941 5.7541 5.7541 6.1530 6.1530 6.2449 6.2449 6.2637 6.2637 6.3990 6.3990 6.9947 6.9947 9.6360 9.6360 9.7947 9.7947 10.3195 10.3195 10.3395 10.3395 12.3873 12.3873 12.5545 12.5545 21.1945 21.1945 k = 0.3262 0.5651 0.5866 ( 2220 PWs) bands (ev): 2.8551 2.8551 3.1557 3.1557 3.3887 3.3887 3.6292 3.6292 4.2485 4.2485 4.2767 4.2767 4.7124 4.7124 5.1004 5.1004 5.6939 5.6939 5.7554 5.7554 6.1518 6.1518 6.2429 6.2429 6.2652 6.2652 6.4008 6.4008 6.9936 6.9936 9.6006 9.6006 9.8029 9.8029 10.3148 10.3148 10.3738 10.3738 12.3418 12.3418 12.6074 12.6074 21.1252 21.1252 k = 0.3191 0.5528 0.5866 ( 2220 PWs) bands (ev): 2.8562 2.8562 3.1549 3.1549 3.3895 3.3895 3.6278 3.6278 4.2385 4.2385 4.2860 4.2860 4.7100 4.7100 5.1040 5.1040 5.6934 5.6934 5.7592 5.7592 6.1479 6.1479 6.2400 6.2400 6.2663 6.2663 6.4061 6.4061 6.9903 6.9903 9.5025 9.5025 9.8384 9.8384 10.3044 10.3044 10.4531 10.4531 12.2683 12.2683 12.7038 12.7038 21.0027 21.0027 k = 0.3121 0.5405 0.5866 ( 2220 PWs) bands (ev): 2.8580 2.8580 3.1538 3.1538 3.3908 3.3908 3.6256 3.6256 4.2282 4.2282 4.2953 4.2953 4.7060 4.7060 5.1100 5.1100 5.6930 5.6930 5.7650 5.7650 6.1417 6.1417 6.2381 6.2381 6.2652 6.2652 6.4149 6.4149 6.9848 6.9848 9.3754 9.3754 9.8892 9.8892 10.2865 10.2865 10.5566 10.5566 12.2014 12.2014 12.8106 12.8106 20.8683 20.8683 k = 0.3050 0.5282 0.5866 ( 2220 PWs) bands (ev): 2.8604 2.8604 3.1522 3.1522 3.3927 3.3927 3.6225 3.6225 4.2181 4.2181 4.3038 4.3038 4.7004 4.7004 5.1182 5.1182 5.6929 5.6929 5.7724 5.7724 6.1334 6.1334 6.2373 6.2373 6.2618 6.2618 6.4263 6.4263 6.9774 6.9774 9.2380 9.2380 9.9475 9.9475 10.2599 10.2599 10.6735 10.6735 12.1478 12.1478 12.9220 12.9220 20.7295 20.7295 k = 0.2979 0.5159 0.5866 ( 2216 PWs) bands (ev): 2.8634 2.8634 3.1504 3.1504 3.3950 3.3950 3.6188 3.6188 4.2086 4.2086 4.3114 4.3114 4.6937 4.6937 5.1284 5.1284 5.6933 5.6933 5.7812 5.7812 6.1236 6.1236 6.2369 6.2369 6.2567 6.2567 6.4398 6.4398 6.9681 6.9681 9.0976 9.0976 10.0096 10.0096 10.2251 10.2251 10.7988 10.7988 12.1095 12.1095 13.0367 13.0367 20.5888 20.5888 k = 0.2908 0.5036 0.5866 ( 2220 PWs) bands (ev): 2.8670 2.8670 3.1483 3.1483 3.3977 3.3977 3.6145 3.6145 4.1997 4.1997 4.3178 4.3178 4.6862 4.6862 5.1403 5.1403 5.6943 5.6943 5.7909 5.7909 6.1128 6.1128 6.2358 6.2358 6.2508 6.2508 6.4547 6.4547 6.9572 6.9572 8.9578 8.9578 10.0688 10.0688 10.1880 10.1880 10.9302 10.9302 12.0873 12.0873 13.1538 13.1538 20.4472 20.4472 k = 0.2837 0.4914 0.5866 ( 2216 PWs) bands (ev): 2.8709 2.8709 3.1461 3.1461 3.4009 3.4009 3.6097 3.6097 4.1915 4.1915 4.3226 4.3226 4.6785 4.6785 5.1536 5.1536 5.6961 5.6961 5.8014 5.8014 6.1013 6.1013 6.2318 6.2318 6.2465 6.2465 6.4706 6.4706 6.9449 6.9449 8.8203 8.8203 10.0823 10.0823 10.1911 10.1911 11.0661 11.0661 12.0812 12.0812 13.2733 13.2733 20.3054 20.3054 k = 0.2766 0.4791 0.5866 ( 2216 PWs) bands (ev): 2.8752 2.8752 3.1438 3.1438 3.4043 3.4043 3.6045 3.6045 4.1840 4.1840 4.3258 4.3258 4.6708 4.6708 5.1680 5.1680 5.6985 5.6985 5.8125 5.8125 6.0893 6.0893 6.2235 6.2235 6.2449 6.2449 6.4870 6.4870 6.9314 6.9314 8.6861 8.6861 10.0303 10.0303 10.2554 10.2554 11.2058 11.2058 12.0904 12.0904 13.3947 13.3947 20.1640 20.1640 k = 0.2695 0.4668 0.5866 ( 2216 PWs) bands (ev): 2.8798 2.8798 3.1416 3.1416 3.4081 3.4081 3.5991 3.5991 4.1774 4.1774 4.3270 4.3270 4.6638 4.6638 5.1833 5.1833 5.7016 5.7016 5.8239 5.8239 6.0769 6.0769 6.2127 6.2127 6.2444 6.2444 6.5037 6.5037 6.9169 6.9169 8.5559 8.5559 9.9587 9.9587 10.3356 10.3356 11.3487 11.3487 12.1140 12.1140 13.5181 13.5181 20.0232 20.0232 k = 0.2624 0.4545 0.5866 ( 2212 PWs) bands (ev): 2.8844 2.8844 3.1397 3.1397 3.4121 3.4121 3.5936 3.5936 4.1715 4.1715 4.3261 4.3261 4.6578 4.6578 5.1992 5.1992 5.7052 5.7052 5.8355 5.8355 6.0641 6.0641 6.2004 6.2004 6.2439 6.2439 6.5204 6.5204 6.9017 6.9017 8.4302 8.4302 9.8781 9.8781 10.4226 10.4226 11.4946 11.4946 12.1507 12.1507 13.6432 13.6432 19.8834 19.8834 k = 0.2553 0.4422 0.5866 ( 2208 PWs) bands (ev): 2.8891 2.8891 3.1380 3.1380 3.4162 3.4162 3.5880 3.5880 4.1664 4.1664 4.3230 4.3230 4.6531 4.6531 5.2156 5.2156 5.7093 5.7093 5.8469 5.8469 6.0509 6.0509 6.1871 6.1871 6.2428 6.2428 6.5371 6.5371 6.8861 6.8861 8.3095 8.3095 9.7912 9.7912 10.5149 10.5149 11.6430 11.6430 12.1992 12.1992 13.7699 13.7699 19.7449 19.7449 k = 0.2482 0.4299 0.5866 ( 2212 PWs) bands (ev): 2.8935 2.8935 3.1369 3.1369 3.4203 3.4203 3.5826 3.5826 4.1620 4.1620 4.3178 4.3178 4.6499 4.6499 5.2323 5.2323 5.7136 5.7136 5.8579 5.8579 6.0372 6.0372 6.1732 6.1732 6.2411 6.2411 6.5535 6.5535 6.8704 6.8704 8.1940 8.1940 9.6998 9.6998 10.6119 10.6119 11.7937 11.7937 12.2585 12.2585 13.8980 13.8980 19.6079 19.6079 k = 0.2411 0.4177 0.5866 ( 2216 PWs) bands (ev): 2.8977 2.8977 3.1365 3.1365 3.4244 3.4244 3.5773 3.5773 4.1584 4.1584 4.3104 4.3104 4.6482 4.6482 5.2492 5.2492 5.7181 5.7181 5.8681 5.8681 6.0228 6.0228 6.1589 6.1589 6.2387 6.2387 6.5695 6.5695 6.8549 6.8549 8.0839 8.0839 9.6049 9.6049 10.7136 10.7136 11.9466 11.9466 12.3273 12.3273 14.0276 14.0276 19.4727 19.4727 k = 0.2340 0.4054 0.5866 ( 2224 PWs) bands (ev): 2.9014 2.9014 3.1369 3.1369 3.4285 3.4285 3.5723 3.5723 4.1555 4.1555 4.3012 4.3012 4.6481 4.6481 5.2663 5.2663 5.7226 5.7226 5.8770 5.8770 6.0077 6.0077 6.1451 6.1451 6.2353 6.2353 6.5850 6.5850 6.8399 6.8399 7.9795 7.9795 9.5076 9.5076 10.8198 10.8198 12.1015 12.1015 12.4049 12.4049 14.1583 14.1583 19.3394 19.3394 k = 0.2270 0.3931 0.5866 ( 2230 PWs) bands (ev): 2.9046 2.9046 3.1383 3.1383 3.4323 3.4323 3.5677 3.5677 4.1533 4.1533 4.2904 4.2904 4.6493 4.6493 5.2835 5.2835 5.7268 5.7268 5.8842 5.8842 5.9916 5.9916 6.1322 6.1322 6.2310 6.2310 6.5999 6.5999 6.8256 6.8256 7.8810 7.8810 9.4088 9.4088 10.9305 10.9305 12.2582 12.2582 12.4904 12.4904 14.2903 14.2903 19.2084 19.2084 k = 0.2199 0.3808 0.5866 ( 2230 PWs) bands (ev): 2.9071 2.9071 3.1407 3.1407 3.4359 3.4359 3.5634 3.5634 4.1516 4.1516 4.2783 4.2783 4.6518 4.6518 5.3006 5.3006 5.7304 5.7304 5.8890 5.8890 5.9742 5.9742 6.1214 6.1214 6.2259 6.2259 6.6140 6.6140 6.8124 6.8124 7.7885 7.7885 9.3090 9.3090 11.0455 11.0455 12.4166 12.4166 12.5832 12.5832 14.4232 14.4232 19.0799 19.0799 k = 0.2128 0.3685 0.5866 ( 2230 PWs) bands (ev): 2.9088 2.9088 3.1443 3.1443 3.4393 3.4393 3.5595 3.5595 4.1503 4.1503 4.2654 4.2654 4.6554 4.6554 5.3176 5.3176 5.7331 5.7331 5.8909 5.8909 5.9555 5.9555 6.1133 6.1133 6.2200 6.2200 6.6271 6.6271 6.8005 6.8005 7.7020 7.7020 9.2089 9.2089 11.1649 11.1649 12.5764 12.5764 12.6827 12.6827 14.5571 14.5571 18.9541 18.9541 k = 0.2057 0.3562 0.5866 ( 2234 PWs) bands (ev): 2.9098 2.9098 3.1491 3.1491 3.4423 3.4423 3.5560 3.5560 4.1493 4.1493 4.2520 4.2520 4.6599 4.6599 5.3344 5.3344 5.7343 5.7343 5.8894 5.8894 5.9357 5.9357 6.1087 6.1087 6.2134 6.2134 6.6392 6.6392 6.7902 6.7902 7.6215 7.6215 9.1089 9.1089 11.2886 11.2886 12.7374 12.7374 12.7888 12.7888 14.6916 14.6916 18.8312 18.8312 k = 0.1986 0.3440 0.5866 ( 2234 PWs) bands (ev): 2.9100 2.9100 3.1551 3.1551 3.4451 3.4451 3.5528 3.5528 4.1482 4.1482 4.2386 4.2386 4.6652 4.6652 5.3507 5.3507 5.7334 5.7334 5.8845 5.8845 5.9154 5.9154 6.1078 6.1078 6.2062 6.2062 6.6499 6.6499 6.7818 6.7818 7.5469 7.5469 9.0093 9.0093 11.4165 11.4165 12.8943 12.8943 12.9060 12.9060 14.8267 14.8267 18.7114 18.7114 k = 0.1915 0.3317 0.5866 ( 2230 PWs) bands (ev): 2.9095 2.9095 3.1623 3.1623 3.4475 3.4475 3.5500 3.5500 4.1466 4.1466 4.2259 4.2259 4.6712 4.6712 5.3662 5.3662 5.7296 5.7296 5.8765 5.8765 5.8958 5.8958 6.1102 6.1102 6.1987 6.1987 6.6591 6.6591 6.7754 6.7754 7.4782 7.4782 8.9104 8.9104 11.5485 11.5485 13.0159 13.0159 13.0650 13.0650 14.9623 14.9623 18.5950 18.5950 k = 0.1844 0.3194 0.5866 ( 2230 PWs) bands (ev): 2.9083 2.9083 3.1705 3.1705 3.4497 3.4497 3.5473 3.5473 4.1438 4.1438 4.2145 4.2145 4.6778 4.6778 5.3806 5.3806 5.7223 5.7223 5.8647 5.8647 5.8790 5.8790 6.1152 6.1152 6.1914 6.1914 6.6666 6.6666 6.7712 6.7712 7.4151 7.4151 8.8125 8.8125 11.6846 11.6846 13.1383 13.1383 13.2291 13.2291 15.0980 15.0980 18.4823 18.4823 k = 0.1773 0.3071 0.5866 ( 2226 PWs) bands (ev): 2.9065 2.9065 3.1799 3.1799 3.4517 3.4517 3.5447 3.5447 4.1390 4.1390 4.2054 4.2054 4.6850 4.6850 5.3930 5.3930 5.7113 5.7113 5.8486 5.8486 5.8676 5.8676 6.1218 6.1218 6.1846 6.1846 6.6722 6.6722 6.7692 6.7692 7.3574 7.3574 8.7159 8.7159 11.8247 11.8247 13.2655 13.2655 13.3942 13.3942 15.2336 15.2336 18.3735 18.3735 k = 0.1702 0.2948 0.5866 ( 2222 PWs) bands (ev): 2.9042 2.9042 3.1901 3.1901 3.4535 3.4535 3.5422 3.5422 4.1318 4.1318 4.1990 4.1990 4.6927 4.6927 5.4024 5.4024 5.6978 5.6978 5.8304 5.8304 5.8601 5.8601 6.1286 6.1286 6.1796 6.1796 6.6761 6.6761 6.7693 6.7693 7.3048 7.3048 8.6206 8.6206 11.9687 11.9687 13.3972 13.3972 13.5599 13.5599 15.3689 15.3689 18.2689 18.2689 k = 0.1631 0.2825 0.5866 ( 2220 PWs) bands (ev): 2.9016 2.9016 3.2011 3.2011 3.4552 3.4552 3.5397 3.5397 4.1221 4.1221 4.1952 4.1952 4.7011 4.7011 5.4073 5.4073 5.6839 5.6839 5.8112 5.8112 5.8553 5.8553 6.1332 6.1332 6.1781 6.1781 6.6783 6.6783 6.7710 6.7710 7.2568 7.2568 8.5269 8.5269 12.1165 12.1165 13.5334 13.5334 13.7258 13.7258 15.5036 15.5036 18.1688 18.1688 k = 0.1560 0.2702 0.5866 ( 2216 PWs) bands (ev): 2.8987 2.8987 3.2129 3.2129 3.4569 3.4569 3.5371 3.5371 4.1107 4.1107 4.1933 4.1933 4.7100 4.7100 5.4062 5.4062 5.6725 5.6725 5.7917 5.7917 5.8526 5.8526 6.1338 6.1338 6.1820 6.1820 6.6793 6.6793 6.7739 6.7739 7.2133 7.2133 8.4349 8.4349 12.2680 12.2680 13.6737 13.6737 13.8919 13.8919 15.6372 15.6372 18.0737 18.0737 k = 0.1489 0.2580 0.5866 ( 2216 PWs) bands (ev): 2.8955 2.8955 3.2252 3.2252 3.4585 3.4585 3.5343 3.5343 4.0983 4.0983 4.1923 4.1923 4.7197 4.7197 5.3978 5.3978 5.6657 5.6657 5.7722 5.7722 5.8512 5.8512 6.1307 6.1307 6.1908 6.1908 6.6794 6.6794 6.7775 6.7775 7.1737 7.1737 8.3448 8.3448 12.4230 12.4230 13.8180 13.8180 14.0577 14.0577 15.7692 15.7692 17.9841 17.9841 k = 0.1418 0.2457 0.5866 ( 2212 PWs) bands (ev): 2.8922 2.8922 3.2381 3.2381 3.4602 3.4602 3.5313 3.5313 4.0855 4.0855 4.1917 4.1917 4.7301 4.7301 5.3819 5.3819 5.6636 5.6636 5.7538 5.7538 5.8506 5.8506 6.1257 6.1257 6.2024 6.2024 6.6788 6.6788 6.7814 6.7814 7.1377 7.1377 8.2567 8.2567 12.5815 12.5815 13.9660 13.9660 14.2230 14.2230 15.8991 15.8991 17.9006 17.9006 k = 0.1348 0.2334 0.5866 ( 2212 PWs) bands (ev): 2.8889 2.8889 3.2515 3.2515 3.4618 3.4618 3.5282 3.5282 4.0726 4.0726 4.1909 4.1909 4.7413 4.7413 5.3598 5.3598 5.6640 5.6640 5.7388 5.7388 5.8507 5.8507 6.1200 6.1200 6.2158 6.2158 6.6776 6.6776 6.7852 6.7852 7.1050 7.1050 8.1709 8.1709 12.7431 12.7431 14.1175 14.1175 14.3875 14.3875 16.0260 16.0260 17.8239 17.8239 k = 0.1277 0.2211 0.5866 ( 2216 PWs) bands (ev): 2.8856 2.8856 3.2652 3.2652 3.4635 3.4635 3.5249 3.5249 4.0599 4.0599 4.1894 4.1894 4.7534 4.7534 5.3330 5.3330 5.6614 5.6614 5.7315 5.7315 5.8513 5.8513 6.1144 6.1144 6.2301 6.2301 6.6759 6.6759 6.7887 6.7887 7.0752 7.0752 8.0873 8.0873 12.9078 12.9078 14.2723 14.2723 14.5507 14.5507 16.1489 16.1489 17.7549 17.7549 k = 0.1206 0.2088 0.5866 ( 2216 PWs) bands (ev): 2.8823 2.8823 3.2792 3.2792 3.4652 3.4652 3.5214 3.5214 4.0476 4.0476 4.1871 4.1871 4.7664 4.7664 5.3036 5.3036 5.6514 5.6514 5.7348 5.7348 5.8526 5.8526 6.1090 6.1090 6.2450 6.2450 6.6737 6.6737 6.7917 6.7917 7.0478 7.0478 8.0064 8.0064 13.0753 13.0753 14.4300 14.4300 14.7123 14.7123 16.2666 16.2666 17.6950 17.6950 k = 0.1135 0.1965 0.5866 ( 2208 PWs) bands (ev): 2.8792 2.8792 3.2935 3.2935 3.4669 3.4669 3.5178 3.5178 4.0357 4.0357 4.1838 4.1838 4.7803 4.7803 5.2727 5.2727 5.6354 5.6354 5.7457 5.7457 5.8552 5.8552 6.1041 6.1041 6.2605 6.2605 6.6710 6.6710 6.7943 6.7943 7.0225 7.0225 7.9282 7.9282 13.2453 13.2453 14.5904 14.5904 14.8717 14.8717 16.3775 16.3775 17.6456 17.6456 k = 0.1064 0.1843 0.5866 ( 2208 PWs) bands (ev): 2.8761 2.8761 3.3078 3.3078 3.4686 3.4686 3.5141 3.5141 4.0244 4.0244 4.1794 4.1794 4.7950 4.7950 5.2416 5.2416 5.6169 5.6169 5.7590 5.7590 5.8602 5.8602 6.0998 6.0998 6.2763 6.2763 6.6676 6.6676 6.7962 6.7962 6.9990 6.9990 7.8530 7.8530 13.4176 13.4176 14.7532 14.7532 15.0285 15.0285 16.4794 16.4794 17.6088 17.6088 k = 0.0993 0.1720 0.5866 ( 2210 PWs) bands (ev): 2.8732 2.8732 3.3222 3.3222 3.4702 3.4702 3.5103 3.5103 4.0137 4.0137 4.1737 4.1737 4.8106 4.8106 5.2109 5.2109 5.5976 5.5976 5.7710 5.7710 5.8693 5.8693 6.0960 6.0960 6.2925 6.2925 6.6634 6.6634 6.7976 6.7976 6.9767 6.9767 7.7810 7.7810 13.5917 13.5917 14.9177 14.9177 15.1819 15.1819 16.5702 16.5702 17.5866 17.5866 k = 0.0922 0.1597 0.5866 ( 2206 PWs) bands (ev): 2.8705 2.8705 3.3366 3.3366 3.4718 3.4718 3.5066 3.5066 4.0037 4.0037 4.1669 4.1669 4.8268 4.8268 5.1813 5.1813 5.5784 5.5784 5.7792 5.7792 5.8838 5.8838 6.0929 6.0929 6.3090 6.3090 6.6585 6.6585 6.7984 6.7984 6.9553 6.9553 7.7127 7.7127 13.7671 13.7671 15.0835 15.0835 15.3312 15.3312 16.6479 16.6479 17.5811 17.5811 k = 0.0851 0.1474 0.5866 ( 2210 PWs) bands (ev): 2.8680 2.8680 3.3509 3.3509 3.4734 3.4734 3.5028 3.5028 3.9944 3.9944 4.1591 4.1591 4.8436 4.8436 5.1531 5.1531 5.5596 5.5596 5.7829 5.7829 5.9037 5.9037 6.0904 6.0904 6.3258 6.3258 6.6528 6.6528 6.7988 6.7988 6.9343 6.9343 7.6483 7.6483 13.9434 13.9434 15.2499 15.2499 15.4757 15.4757 16.7114 16.7114 17.5931 17.5931 k = 0.0780 0.1351 0.5866 ( 2210 PWs) bands (ev): 2.8657 2.8657 3.3649 3.3649 3.4749 3.4749 3.4991 3.4991 3.9858 3.9858 4.1503 4.1503 4.8607 4.8607 5.1266 5.1266 5.5417 5.5417 5.7830 5.7830 5.9278 5.9278 6.0885 6.0885 6.3429 6.3429 6.6463 6.6463 6.7988 6.7988 6.9131 6.9131 7.5884 7.5884 14.1198 14.1198 15.4157 15.4157 15.6145 15.6145 16.7617 16.7617 17.6218 17.6218 k = 0.0709 0.1228 0.5866 ( 2206 PWs) bands (ev): 2.8635 2.8635 3.3786 3.3786 3.4762 3.4762 3.4956 3.4956 3.9779 3.9779 4.1409 4.1409 4.8779 4.8779 5.1021 5.1021 5.5247 5.5247 5.7806 5.7806 5.9545 5.9545 6.0873 6.0873 6.3605 6.3605 6.6389 6.6389 6.7983 6.7983 6.8914 6.8914 7.5332 7.5332 14.2954 14.2954 15.5795 15.5795 15.7468 15.7468 16.8021 16.8021 17.6635 17.6635 k = 0.0638 0.1106 0.5866 ( 2210 PWs) bands (ev): 2.8616 2.8616 3.3918 3.3918 3.4775 3.4775 3.4923 3.4923 3.9708 3.9708 4.1311 4.1311 4.8949 4.8949 5.0797 5.0797 5.5089 5.5089 5.7766 5.7766 5.9823 5.9823 6.0871 6.0871 6.3785 6.3785 6.6308 6.6308 6.7972 6.7972 6.8689 6.8689 7.4832 7.4832 14.4690 14.4690 15.7393 15.7393 15.8720 15.8720 16.8377 16.8377 17.7124 17.7124 k = 0.0567 0.0983 0.5866 ( 2206 PWs) bands (ev): 2.8599 2.8599 3.4043 3.4043 3.4786 3.4786 3.4892 3.4892 3.9644 3.9644 4.1211 4.1211 4.9114 4.9114 5.0595 5.0595 5.4943 5.4943 5.7718 5.7718 6.0099 6.0099 6.0882 6.0882 6.3970 6.3970 6.6221 6.6221 6.7949 6.7949 6.8458 6.8458 7.4387 7.4387 14.6389 14.6389 15.8918 15.8918 15.9899 15.9899 16.8749 16.8749 17.7598 17.7598 k = 0.0496 0.0860 0.5866 ( 2210 PWs) bands (ev): 2.8584 2.8584 3.4160 3.4160 3.4796 3.4796 3.4863 3.4863 3.9587 3.9587 4.1112 4.1112 4.9270 4.9270 5.0418 5.0418 5.4810 5.4810 5.7665 5.7665 6.0351 6.0351 6.0921 6.0921 6.4160 6.4160 6.6131 6.6131 6.7888 6.7888 6.8246 6.8246 7.4000 7.4000 14.8031 14.8031 16.0321 16.0321 16.1014 16.1014 16.9198 16.9198 17.7875 17.7875 k = 0.0426 0.0737 0.5866 ( 2210 PWs) bands (ev): 2.8571 2.8571 3.4267 3.4267 3.4805 3.4805 3.4838 3.4838 3.9538 3.9538 4.1018 4.1018 4.9412 4.9412 5.0266 5.0266 5.4693 5.4693 5.7612 5.7612 6.0540 6.0540 6.1018 6.1018 6.4358 6.4358 6.6039 6.6039 6.7728 6.7728 6.8115 6.8115 7.3672 7.3672 14.9589 14.9589 16.1543 16.1543 16.2085 16.2085 16.9784 16.9784 17.7593 17.7593 k = 0.0355 0.0614 0.5866 ( 2214 PWs) bands (ev): 2.8560 2.8560 3.4362 3.4362 3.4812 3.4812 3.4816 3.4816 3.9496 3.9496 4.0932 4.0932 4.9535 4.9535 5.0143 5.0143 5.4590 5.4590 5.7561 5.7561 6.0639 6.0639 6.1189 6.1189 6.4565 6.4565 6.5949 6.5949 6.7471 6.7471 6.8065 6.8065 7.3402 7.3402 15.1025 15.1025 16.2577 16.2577 16.3085 16.3085 17.0550 17.0550 17.6693 17.6693 k = 0.0284 0.0491 0.5866 ( 2218 PWs) bands (ev): 2.8552 2.8552 3.4443 3.4443 3.4797 3.4797 3.4819 3.4819 3.9462 3.9462 4.0857 4.0857 4.9630 4.9630 5.0053 5.0053 5.4504 5.4504 5.7516 5.7516 6.0681 6.0681 6.1393 6.1393 6.4781 6.4781 6.5867 6.5867 6.7172 6.7172 6.8046 6.8046 7.3187 7.3187 15.2294 15.2294 16.3494 16.3494 16.3935 16.3935 17.1496 17.1496 17.5525 17.5525 k = 0.0213 0.0369 0.5866 ( 2216 PWs) bands (ev): 2.8545 2.8545 3.4508 3.4508 3.4782 3.4782 3.4824 3.4824 3.9436 3.9436 4.0795 4.0795 4.9687 4.9687 5.0005 5.0005 5.4435 5.4435 5.7478 5.7478 6.0700 6.0700 6.1584 6.1584 6.5006 6.5006 6.5798 6.5798 6.6859 6.6859 6.8036 6.8036 7.3024 7.3024 15.3348 15.3348 16.4347 16.4347 16.4592 16.4592 17.2517 17.2517 17.4377 17.4377 k = 0.0142 0.0246 0.5866 ( 2220 PWs) bands (ev): 2.8540 2.8540 3.4556 3.4556 3.4771 3.4771 3.4827 3.4827 3.9417 3.9417 4.0749 4.0749 4.9703 4.9703 4.9997 4.9997 5.4386 5.4386 5.7449 5.7449 6.0710 6.0710 6.1737 6.1737 6.5231 6.5231 6.5757 6.5757 6.6547 6.6547 6.8031 6.8031 7.2911 7.2911 15.4138 15.4138 16.5006 16.5006 16.5187 16.5187 17.2718 17.2718 17.4206 17.4206 k = 0.0071 0.0123 0.5866 ( 2224 PWs) bands (ev): 2.8537 2.8537 3.4586 3.4586 3.4765 3.4765 3.4829 3.4829 3.9405 3.9405 4.0721 4.0721 4.9699 4.9699 5.0007 5.0007 5.4355 5.4355 5.7432 5.7432 6.0714 6.0714 6.1836 6.1836 6.5419 6.5419 6.5780 6.5780 6.6254 6.6254 6.8028 6.8028 7.2844 7.2844 15.4626 15.4626 16.5283 16.5283 16.5822 16.5822 17.1974 17.1974 17.5153 17.5153 k = 0.0000 0.0000 0.5866 ( 2224 PWs) bands (ev): 2.8536 2.8536 3.4596 3.4596 3.4763 3.4763 3.4830 3.4830 3.9401 3.9401 4.0711 4.0711 4.9696 4.9696 5.0012 5.0012 5.4345 5.4345 5.7426 5.7426 6.0716 6.0716 6.1870 6.1870 6.5487 6.5487 6.5873 6.5873 6.6063 6.6063 6.8028 6.8028 7.2822 7.2822 15.4791 15.4791 16.5371 16.5371 16.6089 16.6089 17.1636 17.1636 17.5680 17.5680 k = 0.5000 0.2887 0.5866 ( 2208 PWs) bands (ev): 3.0182 3.0182 3.0402 3.0402 3.3796 3.3796 3.6323 3.6323 3.9281 3.9281 4.3333 4.3333 4.8233 4.8233 5.2216 5.2216 5.7981 5.7981 5.9411 5.9411 5.9881 5.9881 6.1437 6.1437 6.4753 6.4753 6.5870 6.5870 6.6588 6.6588 8.3409 8.3409 9.3162 9.3162 10.0870 10.0870 11.0497 11.0497 14.4059 14.4059 15.7595 15.7595 16.3086 16.3086 k = 0.5000 0.2887 0.5723 ( 2214 PWs) bands (ev): 3.0180 3.0180 3.0403 3.0403 3.3799 3.3799 3.6322 3.6322 3.9285 3.9285 4.3332 4.3332 4.8227 4.8227 5.2221 5.2221 5.7977 5.7977 5.9386 5.9386 5.9902 5.9902 6.1437 6.1437 6.4739 6.4739 6.5877 6.5877 6.6585 6.6585 8.3332 8.3332 9.3070 9.3070 10.0970 10.0970 11.0631 11.0631 14.3977 14.3977 15.7524 15.7524 16.3181 16.3181 k = 0.5000 0.2887 0.5580 ( 2214 PWs) bands (ev): 3.0175 3.0175 3.0405 3.0405 3.3806 3.3806 3.6321 3.6321 3.9298 3.9298 4.3330 4.3330 4.8208 4.8208 5.2237 5.2237 5.7968 5.7968 5.9320 5.9320 5.9956 5.9956 6.1437 6.1437 6.4699 6.4699 6.5898 6.5898 6.6577 6.6577 8.3107 8.3107 9.2800 9.2800 10.1261 10.1261 11.1022 11.1022 14.3735 14.3735 15.7324 15.7324 16.3459 16.3459 k = 0.5000 0.2887 0.5436 ( 2214 PWs) bands (ev): 3.0167 3.0167 3.0409 3.0409 3.3819 3.3819 3.6318 3.6318 3.9320 3.9320 4.3327 4.3327 4.8176 4.8176 5.2262 5.2262 5.7952 5.7952 5.9230 5.9230 6.0025 6.0025 6.1438 6.1438 6.4636 6.4636 6.5929 6.5929 6.6563 6.6563 8.2749 8.2749 9.2376 9.2376 10.1731 10.1731 11.1648 11.1648 14.3344 14.3344 15.7023 15.7023 16.3901 16.3901 k = 0.5000 0.2887 0.5293 ( 2214 PWs) bands (ev): 3.0156 3.0156 3.0414 3.0414 3.3837 3.3837 3.6314 3.6314 3.9350 3.9350 4.3322 4.3322 4.8133 4.8133 5.2298 5.2298 5.7929 5.7929 5.9127 5.9127 6.0100 6.0100 6.1439 6.1439 6.4551 6.4551 6.5969 6.5969 6.6545 6.6545 8.2281 8.2281 9.1827 9.1827 10.2356 10.2356 11.2479 11.2479 14.2820 14.2820 15.6657 15.6657 16.4489 16.4489 k = 0.5000 0.2887 0.5150 ( 2210 PWs) bands (ev): 3.0141 3.0141 3.0421 3.0421 3.3859 3.3859 3.6310 3.6310 3.9389 3.9389 4.3315 4.3315 4.8078 4.8078 5.2342 5.2342 5.7899 5.7899 5.9015 5.9015 6.0176 6.0176 6.1440 6.1440 6.4449 6.4449 6.6013 6.6013 6.6522 6.6522 8.1726 8.1726 9.1183 9.1183 10.3113 10.3113 11.3481 11.3481 14.2179 14.2179 15.6258 15.6258 16.5200 16.5200 k = 0.5000 0.2887 0.5007 ( 2210 PWs) bands (ev): 3.0123 3.0123 3.0429 3.0429 3.3887 3.3887 3.6304 3.6304 3.9436 3.9436 4.3307 4.3307 4.8012 4.8012 5.2395 5.2395 5.7861 5.7861 5.8897 5.8897 6.0251 6.0251 6.1442 6.1442 6.4332 6.4332 6.6060 6.6060 6.6496 6.6496 8.1107 8.1107 9.0473 9.0473 10.3978 10.3978 11.4627 11.4627 14.1442 14.1442 15.5853 15.5853 16.6020 16.6020 k = 0.5000 0.2887 0.4864 ( 2212 PWs) bands (ev): 3.0103 3.0103 3.0438 3.0438 3.3919 3.3919 3.6298 3.6298 3.9491 3.9491 4.3297 4.3297 4.7936 4.7936 5.2456 5.2456 5.7815 5.7815 5.8775 5.8775 6.0321 6.0321 6.1444 6.1444 6.4202 6.4202 6.6106 6.6106 6.6469 6.6469 8.0444 8.0444 8.9720 8.9720 10.4929 10.4929 11.5891 11.5891 14.0624 14.0624 15.5464 15.5464 16.6934 16.6934 k = 0.5000 0.2887 0.4721 ( 2208 PWs) bands (ev): 3.0080 3.0080 3.0448 3.0448 3.3956 3.3956 3.6292 3.6292 3.9553 3.9553 4.3286 4.3286 4.7851 4.7851 5.2523 5.2523 5.7761 5.7761 5.8650 5.8650 6.0387 6.0387 6.1446 6.1446 6.4061 6.4061 6.6146 6.6146 6.6443 6.6443 7.9754 7.9754 8.8942 8.8942 10.5947 10.5947 11.7256 11.7256 13.9742 13.9742 15.5107 15.5107 16.7930 16.7930 k = 0.5000 0.2887 0.4578 ( 2208 PWs) bands (ev): 3.0054 3.0054 3.0460 3.0460 3.3997 3.3997 3.6284 3.6284 3.9623 3.9623 4.3272 4.3272 4.7757 4.7757 5.2598 5.2598 5.7697 5.7697 5.8525 5.8525 6.0445 6.0445 6.1450 6.1450 6.3910 6.3910 6.6175 6.6175 6.6426 6.6426 7.9051 7.9051 8.8154 8.8154 10.7016 10.7016 11.8705 11.8705 13.8812 13.8812 15.4795 15.4795 16.8998 16.8998 k = 0.5000 0.2887 0.4435 ( 2216 PWs) bands (ev): 3.0025 3.0025 3.0473 3.0473 3.4043 3.4043 3.6277 3.6277 3.9699 3.9699 4.3256 4.3256 4.7655 4.7655 5.2678 5.2678 5.7622 5.7622 5.8399 5.8399 6.0493 6.0493 6.1456 6.1456 6.3752 6.3752 6.6183 6.6183 6.6428 6.6428 7.8346 7.8346 8.7365 8.7365 10.8121 10.8121 12.0224 12.0224 13.7845 13.7845 15.4538 15.4538 17.0131 17.0131 k = 0.5000 0.2887 0.4292 ( 2220 PWs) bands (ev): 2.9995 2.9995 3.0486 3.0486 3.4092 3.4092 3.6268 3.6268 3.9782 3.9782 4.3239 4.3239 4.7546 4.7546 5.2762 5.2762 5.7537 5.7537 5.8274 5.8274 6.0529 6.0529 6.1466 6.1466 6.3587 6.3587 6.6167 6.6167 6.6451 6.6451 7.7648 7.7648 8.6586 8.6586 10.9250 10.9250 12.1803 12.1803 13.6857 13.6857 15.4344 15.4344 17.1321 17.1321 k = 0.5000 0.2887 0.4149 ( 2216 PWs) bands (ev): 2.9962 2.9962 3.0501 3.0501 3.4146 3.4146 3.6260 3.6260 3.9871 3.9871 4.3219 4.3219 4.7432 4.7432 5.2851 5.2851 5.7441 5.7441 5.8151 5.8151 6.0547 6.0547 6.1481 6.1481 6.3420 6.3420 6.6134 6.6134 6.6490 6.6490 7.6964 7.6964 8.5820 8.5820 11.0392 11.0392 12.3430 12.3430 13.5859 13.5859 15.4220 15.4220 17.2564 17.2564 k = 0.5000 0.2887 0.4006 ( 2212 PWs) bands (ev): 2.9927 2.9927 3.0516 3.0516 3.4203 3.4203 3.6251 3.6251 3.9965 3.9965 4.3197 4.3197 4.7311 4.7311 5.2943 5.2943 5.7332 5.7332 5.8031 5.8031 6.0544 6.0544 6.1505 6.1505 6.3252 6.3252 6.6090 6.6090 6.6538 6.6538 7.6301 7.6301 8.5074 8.5074 11.1536 11.1536 12.5088 12.5088 13.4872 13.4872 15.4172 15.4172 17.3853 17.3853 k = 0.5000 0.2887 0.3863 ( 2210 PWs) bands (ev): 2.9890 2.9890 3.0532 3.0532 3.4264 3.4264 3.6242 3.6242 4.0065 4.0065 4.3172 4.3172 4.7187 4.7187 5.3036 5.3036 5.7213 5.7213 5.7914 5.7914 6.0515 6.0515 6.1538 6.1538 6.3088 6.3088 6.6041 6.6041 6.6591 6.6591 7.5662 7.5662 8.4350 8.4350 11.2674 11.2674 12.6745 12.6745 13.3928 13.3928 15.4205 15.4205 17.5184 17.5184 k = 0.5000 0.2887 0.3720 ( 2210 PWs) bands (ev): 2.9851 2.9851 3.0549 3.0549 3.4328 3.4328 3.6233 3.6233 4.0169 4.0169 4.3146 4.3146 4.7058 4.7058 5.3131 5.3131 5.7083 5.7083 5.7800 5.7800 6.0457 6.0457 6.1580 6.1580 6.2931 6.2931 6.5990 6.5990 6.6647 6.6647 7.5051 7.5051 8.3651 8.3651 11.3795 11.3795 12.8310 12.8310 13.3122 13.3122 15.4325 15.4325 17.6553 17.6553 k = 0.5000 0.2887 0.3577 ( 2210 PWs) bands (ev): 2.9811 2.9811 3.0567 3.0567 3.4394 3.4394 3.6223 3.6223 4.0277 4.0277 4.3118 4.3118 4.6927 4.6927 5.3225 5.3225 5.6944 5.6944 5.7691 5.7691 6.0365 6.0365 6.1631 6.1631 6.2786 6.2786 6.5938 6.5938 6.6705 6.6705 7.4470 7.4470 8.2978 8.2978 11.4892 11.4892 12.9448 12.9448 13.2791 13.2791 15.4536 15.4536 17.7955 17.7955 k = 0.5000 0.2887 0.3434 ( 2210 PWs) bands (ev): 2.9770 2.9770 3.0585 3.0585 3.4464 3.4464 3.6214 3.6214 4.0388 4.0388 4.3088 4.3088 4.6793 4.6793 5.3318 5.3318 5.6797 5.6797 5.7584 5.7584 6.0239 6.0239 6.1690 6.1690 6.2656 6.2656 6.5886 6.5886 6.6765 6.6765 7.3922 7.3922 8.2332 8.2332 11.5956 11.5956 12.9529 12.9529 13.3569 13.3569 15.4842 15.4842 17.9387 17.9387 k = 0.5000 0.2887 0.3290 ( 2218 PWs) bands (ev): 2.9728 2.9728 3.0603 3.0603 3.4535 3.4535 3.6204 3.6204 4.0502 4.0502 4.3056 4.3056 4.6657 4.6657 5.3409 5.3409 5.6645 5.6645 5.7481 5.7481 6.0080 6.0080 6.1755 6.1755 6.2544 6.2544 6.5836 6.5836 6.6827 6.6827 7.3407 7.3407 8.1715 8.1715 11.6980 11.6980 12.8880 12.8880 13.5128 13.5128 15.5247 15.5247 18.0845 18.0845 k = 0.5000 0.2887 0.3147 ( 2218 PWs) bands (ev): 2.9685 2.9685 3.0622 3.0622 3.4609 3.4609 3.6194 3.6194 4.0618 4.0618 4.3024 4.3024 4.6521 4.6521 5.3495 5.3495 5.6489 5.6489 5.7381 5.7381 5.9888 5.9888 6.1824 6.1824 6.2451 6.2451 6.5789 6.5789 6.6890 6.6890 7.2927 7.2927 8.1126 8.1126 11.7955 11.7955 12.8025 12.8025 13.6949 13.6949 15.5755 15.5755 18.2324 18.2324 k = 0.5000 0.2887 0.3004 ( 2214 PWs) bands (ev): 2.9641 2.9641 3.0641 3.0641 3.4684 3.4684 3.6184 3.6184 4.0734 4.0734 4.2990 4.2990 4.6386 4.6386 5.3575 5.3575 5.6332 5.6332 5.7285 5.7285 5.9668 5.9668 6.1894 6.1894 6.2377 6.2377 6.5745 6.5745 6.6955 6.6955 7.2479 7.2479 8.0567 8.0567 11.8874 11.8874 12.7122 12.7122 13.8879 13.8879 15.6368 15.6368 18.3820 18.3820 k = 0.5000 0.2887 0.2861 ( 2218 PWs) bands (ev): 2.9597 2.9597 3.0660 3.0660 3.4760 3.4760 3.6174 3.6174 4.0851 4.0851 4.2957 4.2957 4.6251 4.6251 5.3647 5.3647 5.6176 5.6176 5.7192 5.7192 5.9424 5.9424 6.1963 6.1963 6.2323 6.2323 6.5705 6.5705 6.7021 6.7021 7.2065 7.2065 8.0035 8.0035 11.9728 11.9728 12.6220 12.6220 14.0872 14.0872 15.7087 15.7087 18.5327 18.5327 k = 0.5000 0.2887 0.2718 ( 2216 PWs) bands (ev): 2.9554 2.9554 3.0679 3.0679 3.4837 3.4837 3.6163 3.6163 4.0966 4.0966 4.2924 4.2924 4.6118 4.6118 5.3709 5.3709 5.6025 5.6025 5.7102 5.7102 5.9162 5.9162 6.2025 6.2025 6.2290 6.2290 6.5670 6.5670 6.7088 6.7088 7.1684 7.1684 7.9532 7.9532 12.0505 12.0505 12.5346 12.5346 14.2913 14.2913 15.7914 15.7914 18.6841 18.6841 k = 0.5000 0.2887 0.2575 ( 2214 PWs) bands (ev): 2.9510 2.9510 3.0699 3.0699 3.4914 3.4914 3.6153 3.6153 4.1079 4.1079 4.2893 4.2893 4.5988 4.5988 5.3759 5.3759 5.5880 5.5880 5.7015 5.7015 5.8887 5.8887 6.2073 6.2073 6.2282 6.2282 6.5639 6.5639 6.7157 6.7157 7.1333 7.1333 7.9057 7.9057 12.1177 12.1177 12.4536 12.4536 14.4991 14.4991 15.8847 15.8847 18.8355 18.8355 k = 0.5000 0.2887 0.2432 ( 2216 PWs) bands (ev): 2.9467 2.9467 3.0717 3.0717 3.4992 3.4992 3.6142 3.6142 4.1188 4.1188 4.2863 4.2863 4.5862 4.5862 5.3795 5.3795 5.5745 5.5745 5.6931 5.6931 5.8605 5.8605 6.2099 6.2099 6.2304 6.2304 6.5614 6.5614 6.7227 6.7227 7.1012 7.1012 7.8609 7.8609 12.1664 12.1664 12.3874 12.3874 14.7103 14.7103 15.9884 15.9884 18.9863 18.9863 k = 0.5000 0.2887 0.2289 ( 2216 PWs) bands (ev): 2.9424 2.9424 3.0736 3.0736 3.5068 3.5068 3.6131 3.6131 4.1292 4.1292 4.2837 4.2837 4.5741 4.5741 5.3814 5.3814 5.5621 5.5621 5.6850 5.6850 5.8322 5.8322 6.2108 6.2108 6.2348 6.2348 6.5595 6.5595 6.7297 6.7297 7.0718 7.0718 7.8188 7.8188 12.1743 12.1743 12.3590 12.3590 14.9245 14.9245 16.1022 16.1022 19.1357 19.1357 k = 0.5000 0.2887 0.2146 ( 2212 PWs) bands (ev): 2.9382 2.9382 3.0754 3.0754 3.5144 3.5144 3.6120 3.6120 4.1388 4.1388 4.2814 4.2814 4.5626 4.5626 5.3817 5.3817 5.5510 5.5510 5.6769 5.6769 5.8045 5.8045 6.2111 6.2111 6.2403 6.2403 6.5581 6.5581 6.7368 6.7368 7.0452 7.0452 7.7794 7.7794 12.1321 12.1321 12.3780 12.3780 15.1413 15.1413 16.2257 16.2257 19.2828 19.2828 k = 0.5000 0.2887 0.2003 ( 2216 PWs) bands (ev): 2.9342 2.9342 3.0772 3.0772 3.5219 3.5219 3.6110 3.6110 4.1477 4.1477 4.2796 4.2796 4.5517 4.5517 5.3803 5.3803 5.5411 5.5411 5.6685 5.6685 5.7781 5.7781 6.2112 6.2112 6.2459 6.2459 6.5573 6.5573 6.7439 6.7439 7.0210 7.0210 7.7426 7.7426 12.0693 12.0693 12.4155 12.4155 15.3606 15.3606 16.3581 16.3581 19.4266 19.4266 k = 0.5000 0.2887 0.1860 ( 2222 PWs) bands (ev): 2.9303 2.9303 3.0789 3.0789 3.5291 3.5291 3.6099 3.6099 4.1555 4.1555 4.2784 4.2784 4.5416 4.5416 5.3774 5.3774 5.5322 5.5322 5.6594 5.6594 5.7541 5.7541 6.2115 6.2115 6.2513 6.2513 6.5570 6.5570 6.7509 6.7509 6.9993 6.9993 7.7084 7.7084 12.0026 12.0026 12.4553 12.4553 15.5820 15.5820 16.4989 16.4989 19.5660 19.5660 k = 0.5000 0.2887 0.1717 ( 2222 PWs) bands (ev): 2.9266 2.9266 3.0805 3.0805 3.5362 3.5362 3.6088 3.6088 4.1621 4.1621 4.2778 4.2778 4.5323 4.5323 5.3734 5.3734 5.5239 5.5239 5.6491 5.6491 5.7335 5.7335 6.2120 6.2120 6.2564 6.2564 6.5572 6.5572 6.7578 6.7578 6.9798 6.9798 7.6768 7.6768 11.9372 11.9372 12.4929 12.4929 15.8053 15.8053 16.6473 16.6473 19.6992 19.6992 k = 0.5000 0.2887 0.1574 ( 2222 PWs) bands (ev): 2.9231 2.9231 3.0821 3.0821 3.5430 3.5430 3.6076 3.6076 4.1676 4.1676 4.2778 4.2778 4.5240 4.5240 5.3687 5.3687 5.5156 5.5156 5.6372 5.6372 5.7171 5.7171 6.2126 6.2126 6.2610 6.2610 6.5578 6.5578 6.7644 6.7644 6.9624 6.9624 7.6476 7.6476 11.8748 11.8748 12.5271 12.5271 16.0301 16.0301 16.8023 16.8023 19.8245 19.8245 k = 0.5000 0.2887 0.1431 ( 2226 PWs) bands (ev): 2.9198 2.9198 3.0836 3.0836 3.5494 3.5494 3.6065 3.6065 4.1719 4.1719 4.2783 4.2783 4.5167 4.5167 5.3637 5.3637 5.5067 5.5067 5.6240 5.6240 5.7052 5.7052 6.2133 6.2133 6.2651 6.2651 6.5588 6.5588 6.7708 6.7708 6.9471 6.9471 7.6210 7.6210 11.8164 11.8164 12.5575 12.5575 16.2561 16.2561 16.9628 16.9628 19.9388 19.9388 k = 0.5000 0.2887 0.1288 ( 2226 PWs) bands (ev): 2.9167 2.9167 3.0849 3.0849 3.5555 3.5555 3.6054 3.6054 4.1750 4.1750 4.2793 4.2793 4.5105 4.5105 5.3589 5.3589 5.4966 5.4966 5.6108 5.6108 5.6969 5.6969 6.2141 6.2141 6.2687 6.2687 6.5600 6.5600 6.7767 6.7767 6.9338 6.9338 7.5968 7.5968 11.7626 11.7626 12.5842 12.5842 16.4828 16.4828 17.1278 17.1278 20.0376 20.0376 k = 0.5000 0.2887 0.1145 ( 2234 PWs) bands (ev): 2.9139 2.9139 3.0861 3.0861 3.5613 3.5613 3.6043 3.6043 4.1773 4.1773 4.2804 4.2804 4.5053 4.5053 5.3548 5.3548 5.4848 5.4848 5.5988 5.5988 5.6914 5.6914 6.2150 6.2150 6.2719 6.2719 6.5614 6.5614 6.7821 6.7821 6.9224 6.9224 7.5751 7.5751 11.7136 11.7136 12.6073 12.6073 16.7095 16.7095 17.2955 17.2955 20.1123 20.1123 k = 0.5000 0.2887 0.1001 ( 2238 PWs) bands (ev): 2.9114 2.9114 3.0873 3.0873 3.5666 3.5666 3.6031 3.6031 4.1787 4.1787 4.2817 4.2817 4.5010 4.5010 5.3516 5.3516 5.4716 5.4716 5.5887 5.5887 5.6878 5.6878 6.2159 6.2159 6.2746 6.2746 6.5629 6.5629 6.7869 6.7869 6.9128 6.9128 7.5560 7.5560 11.6697 11.6697 12.6271 12.6271 16.9355 16.9355 17.4643 17.4643 20.1466 20.1466 k = 0.5000 0.2887 0.0858 ( 2230 PWs) bands (ev): 2.9092 2.9092 3.0882 3.0882 3.5715 3.5715 3.6018 3.6018 4.1795 4.1795 4.2829 4.2829 4.4978 4.4978 5.3497 5.3497 5.4571 5.4571 5.5807 5.5807 5.6855 5.6855 6.2167 6.2167 6.2768 6.2768 6.5644 6.5644 6.7909 6.7909 6.9050 6.9050 7.5393 7.5393 11.6312 11.6312 12.6438 12.6438 17.1594 17.1594 17.6316 17.6316 20.1159 20.1159 k = 0.5000 0.2887 0.0715 ( 2228 PWs) bands (ev): 2.9073 2.9073 3.0891 3.0891 3.5760 3.5760 3.6006 3.6006 4.1800 4.1800 4.2840 4.2840 4.4953 4.4953 5.3492 5.3492 5.4422 5.4422 5.5747 5.5747 5.6840 5.6840 6.2175 6.2175 6.2786 6.2786 6.5658 6.5658 6.7942 6.7942 6.8988 6.8988 7.5252 7.5252 11.5984 11.5984 12.6576 12.6576 17.3791 17.3791 17.7936 17.7936 20.0115 20.0115 k = 0.5000 0.2887 0.0572 ( 2232 PWs) bands (ev): 2.9057 2.9057 3.0898 3.0898 3.5800 3.5800 3.5992 3.5992 4.1801 4.1801 4.2848 4.2848 4.4936 4.4936 5.3502 5.3502 5.4275 5.4275 5.5703 5.5703 5.6831 5.6831 6.2181 6.2181 6.2801 6.2801 6.5670 6.5670 6.7968 6.7968 6.8941 6.8941 7.5135 7.5135 11.5713 11.5713 12.6686 12.6686 17.5914 17.5914 17.9454 17.9454 19.8599 19.8599 k = 0.5000 0.2887 0.0429 ( 2228 PWs) bands (ev): 2.9045 2.9045 3.0903 3.0903 3.5836 3.5836 3.5977 3.5977 4.1801 4.1801 4.2855 4.2855 4.4924 4.4924 5.3528 5.3528 5.4136 5.4136 5.5671 5.5671 5.6826 5.6826 6.2187 6.2187 6.2812 6.2812 6.5681 6.5681 6.7986 6.7986 6.8907 6.8907 7.5045 7.5045 11.5500 11.5500 12.6770 12.6770 17.7905 17.7905 18.0793 18.0793 19.6946 19.6946 k = 0.5000 0.2887 0.0286 ( 2228 PWs) bands (ev): 2.9036 2.9036 3.0907 3.0907 3.5868 3.5868 3.5960 3.5960 4.1800 4.1800 4.2859 4.2859 4.4916 4.4916 5.3568 5.3568 5.4012 5.4012 5.5650 5.5650 5.6823 5.6823 6.2191 6.2191 6.2820 6.2820 6.5688 6.5688 6.7998 6.7998 6.8885 6.8885 7.4980 7.4980 11.5348 11.5348 12.6829 12.6829 17.9661 17.9661 18.1839 18.1839 19.5421 19.5421 k = 0.5000 0.2887 0.0143 ( 2228 PWs) bands (ev): 2.9031 2.9031 3.0910 3.0910 3.5895 3.5895 3.5941 3.5941 4.1800 4.1800 4.2861 4.2861 4.4912 4.4912 5.3614 5.3614 5.3915 5.3915 5.5637 5.5637 5.6822 5.6822 6.2193 6.2193 6.2824 6.2824 6.5693 6.5693 6.8005 6.8005 6.8872 6.8872 7.4941 7.4941 11.5256 11.5256 12.6864 12.6864 18.0988 18.0988 18.2462 18.2462 19.4296 19.4296 k = 0.5000 0.2887-0.0000 ( 2228 PWs) bands (ev): 2.9029 2.9029 3.0911 3.0911 3.5917 3.5917 3.5923 3.5923 4.1800 4.1800 4.2862 4.2862 4.4911 4.4911 5.3639 5.3639 5.3872 5.3872 5.5633 5.5633 5.6821 5.6821 6.2194 6.2194 6.2826 6.2826 6.5695 6.5695 6.8007 6.8007 6.8868 6.8868 7.4928 7.4928 11.5226 11.5226 12.6876 12.6876 18.1530 18.1530 18.2634 18.2634 19.3871 19.3871 k = 0.3333 0.5774-0.0000 ( 2223 PWs) bands (ev): 2.7304 2.7304 3.1161 3.1161 3.5907 3.5907 3.6781 3.6781 4.1103 4.1103 4.1993 4.1993 4.6634 4.6634 5.1569 5.1569 5.4984 5.4984 6.0538 6.0538 6.1760 6.1760 6.2959 6.2959 6.5189 6.5189 6.5684 6.5684 7.0646 7.0646 7.2835 7.2835 7.4156 7.4156 7.4976 7.4976 17.0870 17.0870 17.9792 17.9792 18.7554 18.7554 19.3841 19.3847 k = 0.3333 0.5774 0.0143 ( 2229 PWs) bands (ev): 2.7306 2.7306 3.1162 3.1162 3.5907 3.5907 3.6777 3.6777 4.1108 4.1108 4.1994 4.1994 4.6633 4.6633 5.1573 5.1573 5.4982 5.4982 6.0538 6.0538 6.1748 6.1748 6.2961 6.2961 6.5190 6.5190 6.5659 6.5659 7.0634 7.0634 7.2851 7.2851 7.4198 7.4198 7.5016 7.5016 17.0695 17.0695 17.9643 17.9643 18.7235 18.7235 19.3836 19.3841 k = 0.3333 0.5774 0.0286 ( 2223 PWs) bands (ev): 2.7312 2.7312 3.1164 3.1164 3.5909 3.5909 3.6765 3.6765 4.1121 4.1121 4.1998 4.1998 4.6630 4.6630 5.1582 5.1582 5.4975 5.4975 6.0537 6.0537 6.1712 6.1712 6.2968 6.2968 6.5193 6.5193 6.5584 6.5584 7.0600 7.0600 7.2902 7.2902 7.4321 7.4321 7.5133 7.5133 17.0183 17.0183 17.9199 17.9199 18.6358 18.6358 19.3891 19.3891 k = 0.3333 0.5774 0.0429 ( 2223 PWs) bands (ev): 2.7321 2.7321 3.1167 3.1167 3.5911 3.5911 3.6746 3.6746 4.1144 4.1144 4.2003 4.2003 4.6625 4.6625 5.1598 5.1598 5.4963 5.4963 6.0537 6.0537 6.1656 6.1656 6.2977 6.2977 6.5198 6.5198 6.5463 6.5463 7.0548 7.0548 7.2987 7.2987 7.4517 7.4517 7.5324 7.5324 16.9369 16.9369 17.8472 17.8472 18.5078 18.5078 19.4016 19.4017 k = 0.3333 0.5774 0.0572 ( 2223 PWs) bands (ev): 2.7334 2.7334 3.1172 3.1172 3.5914 3.5914 3.6719 3.6719 4.1175 4.1175 4.2011 4.2011 4.6619 4.6619 5.1620 5.1620 5.4945 5.4945 6.0536 6.0536 6.1582 6.1582 6.2987 6.2987 6.5203 6.5203 6.5302 6.5302 7.0486 7.0486 7.3108 7.3108 7.4779 7.4779 7.5582 7.5582 16.8300 16.8300 17.7485 17.7485 18.3527 18.3527 19.4225 19.4225 k = 0.3333 0.5774 0.0715 ( 2223 PWs) bands (ev): 2.7350 2.7350 3.1178 3.1178 3.5918 3.5918 3.6684 3.6684 4.1215 4.1215 4.2020 4.2020 4.6610 4.6610 5.1650 5.1650 5.4921 5.4921 6.0534 6.0534 6.1496 6.1496 6.2998 6.2998 6.5109 6.5109 6.5206 6.5206 7.0419 7.0419 7.3266 7.3266 7.5097 7.5097 7.5902 7.5902 16.7022 16.7022 17.6273 17.6273 18.1794 18.1794 19.4508 19.4508 k = 0.3333 0.5774 0.0858 ( 2223 PWs) bands (ev): 2.7370 2.7370 3.1185 3.1185 3.5923 3.5923 3.6642 3.6642 4.1262 4.1262 4.2032 4.2032 4.6600 4.6600 5.1687 5.1687 5.4891 5.4891 6.0531 6.0531 6.1401 6.1401 6.3009 6.3009 6.4890 6.4890 6.5207 6.5207 7.0352 7.0352 7.3463 7.3463 7.5464 7.5464 7.6276 7.6276 16.5579 16.5579 17.4877 17.4877 17.9938 17.9938 19.4845 19.4845 k = 0.3333 0.5774 0.1001 ( 2223 PWs) bands (ev): 2.7393 2.7393 3.1193 3.1193 3.5928 3.5928 3.6592 3.6592 4.1318 4.1318 4.2045 4.2045 4.6588 4.6588 5.1732 5.1732 5.4853 5.4853 6.0526 6.0526 6.1301 6.1301 6.3018 6.3018 6.4652 6.4652 6.5204 6.5204 7.0290 7.0290 7.3699 7.3699 7.5872 7.5872 7.6698 7.6698 16.4005 16.4005 17.3336 17.3336 17.7999 17.7999 19.5218 19.5218 k = 0.3333 0.5774 0.1145 ( 2232 PWs) bands (ev): 2.7419 2.7419 3.1203 3.1203 3.5934 3.5934 3.6535 3.6535 4.1380 4.1380 4.2060 4.2060 4.6575 4.6575 5.1785 5.1785 5.4808 5.4808 6.0519 6.0519 6.1200 6.1200 6.3026 6.3026 6.4403 6.4403 6.5196 6.5196 7.0233 7.0233 7.3974 7.3974 7.6318 7.6318 7.7161 7.7161 16.2330 16.2330 17.1682 17.1682 17.6004 17.6004 19.5612 19.5612 k = 0.3333 0.5774 0.1288 ( 2232 PWs) bands (ev): 2.7448 2.7448 3.1213 3.1213 3.5942 3.5942 3.6471 3.6471 4.1448 4.1448 4.2077 4.2077 4.6561 4.6561 5.1847 5.1847 5.4753 5.4753 6.0509 6.0509 6.1102 6.1102 6.3032 6.3032 6.4148 6.4148 6.5182 6.5182 7.0183 7.0183 7.4289 7.4289 7.6797 7.6797 7.7662 7.7662 16.0575 16.0575 16.9944 16.9944 17.3972 17.3972 19.6018 19.6019 k = 0.3333 0.5774 0.1431 ( 2238 PWs) bands (ev): 2.7480 2.7480 3.1225 3.1225 3.5949 3.5949 3.6401 3.6401 4.1523 4.1523 4.2095 4.2095 4.6547 4.6547 5.1918 5.1918 5.4690 5.4690 6.0495 6.0495 6.1009 6.1009 6.3037 6.3037 6.3893 6.3893 6.5163 6.5163 7.0140 7.0140 7.4644 7.4644 7.7306 7.7306 7.8196 7.8196 15.8759 15.8759 16.8144 16.8144 17.1919 17.1919 19.6434 19.6436 k = 0.3333 0.5774 0.1574 ( 2235 PWs) bands (ev): 2.7515 2.7515 3.1237 3.1237 3.5958 3.5958 3.6324 3.6324 4.1602 4.1602 4.2113 4.2113 4.6531 4.6531 5.1998 5.1998 5.4617 5.4617 6.0475 6.0475 6.0926 6.0926 6.3040 6.3040 6.3642 6.3642 6.5138 6.5138 7.0103 7.0103 7.5038 7.5038 7.7842 7.7842 7.8758 7.8758 15.6897 15.6897 16.6298 16.6298 16.9854 16.9854 19.6859 19.6861 k = 0.3333 0.5774 0.1717 ( 2235 PWs) bands (ev): 2.7552 2.7552 3.1250 3.1250 3.5968 3.5968 3.6241 3.6241 4.1685 4.1685 4.2133 4.2133 4.6516 4.6516 5.2086 5.2086 5.4536 5.4536 6.0448 6.0448 6.0852 6.0852 6.3042 6.3042 6.3400 6.3400 6.5107 6.5107 7.0072 7.0072 7.5471 7.5471 7.8403 7.8403 7.9347 7.9347 15.4999 15.4999 16.4422 16.4422 16.7786 16.7786 19.7278 19.7291 k = 0.3333 0.5774 0.1860 ( 2229 PWs) bands (ev): 2.7591 2.7591 3.1264 3.1264 3.5978 3.5978 3.6152 3.6152 4.1770 4.1770 4.2154 4.2154 4.6502 4.6502 5.2182 5.2182 5.4448 5.4448 6.0411 6.0411 6.0791 6.0791 6.3043 6.3043 6.3173 6.3173 6.5070 6.5070 7.0047 7.0047 7.5943 7.5943 7.8987 7.8987 7.9960 7.9960 15.3076 15.3076 16.2527 16.2527 16.5722 16.5722 19.7621 19.7713 k = 0.3333 0.5774 0.2003 ( 2229 PWs) bands (ev): 2.7632 2.7632 3.1278 3.1278 3.5989 3.5989 3.6058 3.6058 4.1858 4.1858 4.2175 4.2175 4.6488 4.6488 5.2284 5.2284 5.4354 5.4354 6.0362 6.0362 6.0743 6.0743 6.2963 6.2963 6.3043 6.3043 6.5029 6.5029 7.0026 7.0026 7.6453 7.6453 7.9592 7.9592 8.0594 8.0594 15.1135 15.1135 16.0620 16.0620 16.3667 16.3667 19.8012 19.8160 k = 0.3333 0.5774 0.2146 ( 2229 PWs) bands (ev): 2.7674 2.7674 3.1293 3.1293 3.5960 3.5960 3.6000 3.6000 4.1947 4.1947 4.2196 4.2196 4.6476 4.6476 5.2390 5.2390 5.4257 5.4257 6.0300 6.0300 6.0708 6.0708 6.2775 6.2775 6.3042 6.3042 6.4982 6.4982 7.0009 7.0009 7.7001 7.7001 8.0218 8.0218 8.1248 8.1248 14.9182 14.9182 15.8711 15.8711 16.1624 16.1624 19.8426 19.8540 k = 0.3333 0.5774 0.2289 ( 2229 PWs) bands (ev): 2.7718 2.7718 3.1308 3.1308 3.5858 3.5858 3.6012 3.6012 4.2035 4.2035 4.2218 4.2218 4.6466 4.6466 5.2495 5.2495 5.4162 5.4162 6.0221 6.0221 6.0687 6.0687 6.2612 6.2612 6.3040 6.3040 6.4932 6.4932 6.9995 6.9995 7.7585 7.7585 8.0863 8.0863 8.1920 8.1920 14.7223 14.7223 15.6805 15.6805 15.9599 15.9599 19.8865 19.8865 k = 0.3333 0.5774 0.2432 ( 2241 PWs) bands (ev): 2.7763 2.7763 3.1323 3.1323 3.5752 3.5752 3.6025 3.6025 4.2122 4.2122 4.2239 4.2239 4.6459 4.6459 5.2595 5.2595 5.4076 5.4076 6.0125 6.0125 6.0679 6.0679 6.2477 6.2477 6.3037 6.3037 6.4877 6.4877 6.9984 6.9984 7.8206 7.8206 8.1525 8.1525 8.2610 8.2610 14.5262 14.5262 15.4906 15.4906 15.7593 15.7593 19.9328 19.9328 k = 0.3333 0.5774 0.2575 ( 2229 PWs) bands (ev): 2.7809 2.7809 3.1339 3.1339 3.5643 3.5643 3.6038 3.6038 4.2206 4.2206 4.2261 4.2261 4.6455 4.6455 5.2678 5.2678 5.4009 5.4009 6.0012 6.0012 6.0683 6.0683 6.2369 6.2369 6.3034 6.3034 6.4820 6.4820 6.9975 6.9975 7.8862 7.8862 8.2205 8.2205 8.3315 8.3315 14.3303 14.3303 15.3021 15.3021 15.5612 15.5612 19.9817 19.9817 k = 0.3333 0.5774 0.2718 ( 2229 PWs) bands (ev): 2.7856 2.7856 3.1354 3.1354 3.5533 3.5533 3.6052 3.6052 4.2282 4.2282 4.2287 4.2287 4.6455 4.6455 5.2732 5.2732 5.3977 5.3977 5.9883 5.9883 6.0698 6.0698 6.2287 6.2287 6.3029 6.3029 6.4760 6.4760 6.9968 6.9968 7.9554 7.9554 8.2900 8.2900 8.4035 8.4035 14.1350 14.1350 15.1153 15.1153 15.3656 15.3656 20.0329 20.0432 k = 0.3333 0.5774 0.2861 ( 2223 PWs) bands (ev): 2.7903 2.7903 3.1370 3.1370 3.5421 3.5421 3.6066 3.6066 4.2303 4.2303 4.2363 4.2363 4.6459 4.6459 5.2744 5.2744 5.3990 5.3990 5.9742 5.9742 6.0724 6.0724 6.2230 6.2230 6.3024 6.3024 6.4697 6.4697 6.9963 6.9963 8.0279 8.0279 8.3610 8.3610 8.4769 8.4769 13.9405 13.9405 14.9307 14.9307 15.1729 15.1729 20.0867 20.0868 k = 0.3333 0.5774 0.3004 ( 2229 PWs) bands (ev): 2.7950 2.7950 3.1385 3.1385 3.5309 3.5309 3.6081 3.6081 4.2323 4.2323 4.2433 4.2433 4.6469 4.6469 5.2711 5.2711 5.4055 5.4055 5.9591 5.9591 6.0758 6.0758 6.2195 6.2195 6.3018 6.3018 6.4634 6.4634 6.9958 6.9958 8.1039 8.1039 8.4333 8.4333 8.5516 8.5516 13.7470 13.7470 14.7485 14.7485 14.9833 14.9833 20.1429 20.1429 k = 0.3333 0.5774 0.3147 ( 2223 PWs) bands (ev): 2.7997 2.7997 3.1401 3.1401 3.5196 3.5196 3.6095 3.6095 4.2343 4.2343 4.2497 4.2497 4.6484 4.6484 5.2639 5.2639 5.4165 5.4165 5.9435 5.9435 6.0800 6.0800 6.2177 6.2177 6.3011 6.3011 6.4569 6.4569 6.9955 6.9955 8.1833 8.1833 8.5069 8.5069 8.6273 8.6273 13.5549 13.5549 14.5691 14.5691 14.7972 14.7972 20.2015 20.2015 k = 0.3333 0.5774 0.3290 ( 2229 PWs) bands (ev): 2.8044 2.8044 3.1415 3.1415 3.5084 3.5084 3.6110 3.6110 4.2362 4.2362 4.2554 4.2554 4.6504 4.6504 5.2539 5.2539 5.4308 5.4308 5.9275 5.9275 6.0847 6.0847 6.2174 6.2174 6.3001 6.3001 6.4504 6.4504 6.9952 6.9952 8.2660 8.2660 8.5815 8.5815 8.7041 8.7041 13.3642 13.3642 14.3928 14.3928 14.6147 14.6147 20.2625 20.2625 k = 0.3333 0.5774 0.3434 ( 2226 PWs) bands (ev): 2.8089 2.8089 3.1430 3.1430 3.4974 3.4974 3.6125 3.6125 4.2380 4.2380 4.2603 4.2603 4.6530 4.6530 5.2422 5.2422 5.4475 5.4475 5.9115 5.9115 6.0898 6.0898 6.2182 6.2182 6.2990 6.2990 6.4440 6.4440 6.9951 6.9951 8.3521 8.3521 8.6572 8.6572 8.7817 8.7817 13.1752 13.1752 14.2201 14.2201 14.4363 14.4363 20.3257 20.3257 k = 0.3333 0.5774 0.3577 ( 2232 PWs) bands (ev): 2.8134 2.8134 3.1444 3.1444 3.4866 3.4866 3.6141 3.6141 4.2398 4.2398 4.2645 4.2645 4.6562 4.6562 5.2296 5.2296 5.4657 5.4657 5.8956 5.8956 6.0953 6.0953 6.2200 6.2200 6.2976 6.2976 6.4377 6.4377 6.9949 6.9949 8.4414 8.4414 8.7336 8.7336 8.8600 8.8600 12.9881 12.9881 14.0512 14.0512 14.2621 14.2621 20.3912 20.3914 k = 0.3333 0.5774 0.3720 ( 2232 PWs) bands (ev): 2.8178 2.8178 3.1457 3.1457 3.4761 3.4761 3.6156 3.6156 4.2415 4.2415 4.2679 4.2679 4.6598 4.6598 5.2166 5.2166 5.4849 5.4849 5.8802 5.8802 6.1009 6.1009 6.2226 6.2226 6.2959 6.2959 6.4317 6.4317 6.9948 6.9948 8.5339 8.5339 8.8106 8.8106 8.9387 8.9387 12.8029 12.8029 13.8866 13.8866 14.0925 14.0925 20.4588 20.4590 k = 0.3333 0.5774 0.3863 ( 2226 PWs) bands (ev): 2.8221 2.8221 3.1470 3.1470 3.4659 3.4659 3.6171 3.6171 4.2431 4.2431 4.2705 4.2705 4.6639 4.6639 5.2036 5.2036 5.5048 5.5048 5.8653 5.8653 6.1065 6.1065 6.2257 6.2257 6.2938 6.2938 6.4261 6.4261 6.9948 6.9948 8.6296 8.6296 8.8880 8.8880 9.0176 9.0176 12.6198 12.6198 13.7267 13.7267 13.9280 13.9280 20.5283 20.5295 k = 0.3333 0.5774 0.4006 ( 2232 PWs) bands (ev): 2.8261 2.8261 3.1482 3.1482 3.4561 3.4561 3.6185 3.6185 4.2446 4.2446 4.2725 4.2725 4.6683 4.6683 5.1908 5.1908 5.5248 5.5248 5.8510 5.8510 6.1122 6.1122 6.2291 6.2291 6.2912 6.2912 6.4209 6.4209 6.9947 6.9947 8.7285 8.7285 8.9655 8.9655 9.0964 9.0964 12.4389 12.4389 13.5719 13.5719 13.7689 13.7689 20.5996 20.5997 k = 0.3333 0.5774 0.4149 ( 2232 PWs) bands (ev): 2.8300 2.8300 3.1493 3.1493 3.4468 3.4468 3.6199 3.6199 4.2460 4.2460 4.2739 4.2739 4.6730 4.6730 5.1784 5.1784 5.5448 5.5448 5.8375 5.8375 6.1176 6.1176 6.2329 6.2329 6.2882 6.2882 6.4162 6.4162 6.9947 6.9947 8.8304 8.8304 9.0427 9.0427 9.1746 9.1746 12.2604 12.2604 13.4227 13.4227 13.6158 13.6158 20.6724 20.6727 k = 0.3333 0.5774 0.4292 ( 2238 PWs) bands (ev): 2.8337 2.8337 3.1504 3.1504 3.4381 3.4381 3.6213 3.6213 4.2473 4.2473 4.2747 4.2747 4.6779 4.6779 5.1667 5.1667 5.5645 5.5645 5.8248 5.8248 6.1228 6.1228 6.2367 6.2367 6.2847 6.2847 6.4121 6.4121 6.9947 6.9947 8.9352 8.9352 9.1195 9.1195 9.2519 9.2519 12.0843 12.0843 13.2798 13.2798 13.4692 13.4692 20.7465 20.7465 k = 0.3333 0.5774 0.4435 ( 2220 PWs) bands (ev): 2.8371 2.8371 3.1513 3.1513 3.4299 3.4299 3.6226 3.6226 4.2485 4.2485 4.2750 4.2750 4.6828 4.6828 5.1556 5.1556 5.5837 5.5837 5.8130 5.8130 6.1277 6.1277 6.2406 6.2406 6.2807 6.2807 6.4087 6.4087 6.9947 6.9947 9.0424 9.0424 9.1956 9.1956 9.3277 9.3277 11.9107 11.9107 13.1439 13.1439 13.3298 13.3298 20.8217 20.8276 k = 0.3333 0.5774 0.4578 ( 2220 PWs) bands (ev): 2.8403 2.8403 3.1522 3.1522 3.4223 3.4223 3.6239 3.6239 4.2495 4.2495 4.2750 4.2750 4.6877 4.6877 5.1454 5.1454 5.6020 5.6020 5.8022 5.8022 6.1323 6.1323 6.2444 6.2444 6.2763 6.2763 6.4059 6.4059 6.9947 6.9947 9.1511 9.1511 9.2714 9.2714 9.4012 9.4012 11.7397 11.7397 13.0156 13.0156 13.1983 13.1983 20.8972 20.9205 k = 0.3333 0.5774 0.4721 ( 2220 PWs) bands (ev): 2.8432 2.8432 3.1530 3.1530 3.4154 3.4154 3.6250 3.6250 4.2505 4.2505 4.2748 4.2748 4.6924 4.6924 5.1360 5.1360 5.6194 5.6194 5.7923 5.7923 6.1365 6.1365 6.2480 6.2480 6.2716 6.2716 6.4038 6.4038 6.9947 6.9947 9.2582 9.2582 9.3492 9.3492 9.4717 9.4717 11.5714 11.5714 12.8960 12.8960 13.0757 13.0757 20.9764 20.9765 k = 0.3333 0.5774 0.4864 ( 2220 PWs) bands (ev): 2.8458 2.8458 3.1537 3.1537 3.4093 3.4093 3.6260 3.6260 4.2514 4.2514 4.2743 4.2743 4.6968 4.6968 5.1276 5.1276 5.6355 5.6355 5.7835 5.7835 6.1402 6.1402 6.2514 6.2514 6.2667 6.2667 6.4021 6.4021 6.9947 6.9947 9.3550 9.3550 9.4365 9.4365 9.5383 9.5383 11.4059 11.4059 12.7859 12.7859 12.9630 12.9630 21.0264 21.0264 k = 0.3333 0.5774 0.5007 ( 2220 PWs) bands (ev): 2.8481 2.8481 3.1543 3.1543 3.4038 3.4038 3.6270 3.6270 4.2522 4.2522 4.2737 4.2737 4.7009 4.7009 5.1202 5.1202 5.6501 5.6501 5.7758 5.7758 6.1435 6.1435 6.2545 6.2545 6.2619 6.2619 6.4009 6.4009 6.9947 6.9947 9.4322 9.4322 9.5419 9.5419 9.5999 9.5999 11.2432 11.2432 12.6866 12.6866 12.8613 12.8613 21.0699 21.0699 k = 0.3333 0.5774 0.5150 ( 2220 PWs) bands (ev): 2.8501 2.8501 3.1548 3.1548 3.3992 3.3992 3.6278 3.6278 4.2528 4.2528 4.2731 4.2731 4.7044 4.7044 5.1139 5.1139 5.6629 5.6629 5.7692 5.7692 6.1464 6.1464 6.2572 6.2572 6.2573 6.2573 6.4001 6.4001 6.9947 6.9947 9.4933 9.4933 9.6552 9.6552 9.6604 9.6604 11.0833 11.0833 12.5994 12.5994 12.7719 12.7719 21.1071 21.1071 k = 0.3333 0.5774 0.5293 ( 2214 PWs) bands (ev): 2.8518 2.8518 3.1552 3.1552 3.3953 3.3953 3.6284 3.6284 4.2533 4.2533 4.2724 4.2724 4.7075 4.7075 5.1086 5.1086 5.6738 5.6738 5.7638 5.7638 6.1487 6.1487 6.2532 6.2532 6.2595 6.2595 6.3996 6.3996 6.9947 6.9947 9.5433 9.5433 9.7030 9.7030 9.7859 9.7859 10.9265 10.9265 12.5254 12.5254 12.6961 12.6961 21.1380 21.1380 k = 0.3333 0.5774 0.5436 ( 2217 PWs) bands (ev): 2.8530 2.8530 3.1555 3.1555 3.3923 3.3923 3.6290 3.6290 4.2537 4.2537 4.2719 4.2719 4.7099 4.7099 5.1045 5.1045 5.6825 5.6825 5.7596 5.7596 6.1506 6.1506 6.2498 6.2498 6.2613 6.2613 6.3993 6.3993 6.9947 6.9947 9.5830 9.5830 9.7420 9.7420 9.9162 9.9162 10.7726 10.7726 12.4661 12.4661 12.6353 12.6353 21.1625 21.1625 k = 0.3333 0.5774 0.5580 ( 2217 PWs) bands (ev): 2.8540 2.8540 3.1557 3.1557 3.3902 3.3902 3.6294 3.6294 4.2540 4.2540 4.2715 4.2715 4.7117 4.7117 5.1016 5.1016 5.6889 5.6889 5.7565 5.7565 6.1519 6.1519 6.2471 6.2471 6.2626 6.2626 6.3991 6.3991 6.9947 6.9947 9.6122 9.6122 9.7709 9.7709 10.0503 10.0503 10.6218 10.6218 12.4227 12.4227 12.5908 12.5908 21.1802 21.1802 k = 0.3333 0.5774 0.5723 ( 2220 PWs) bands (ev): 2.8545 2.8545 3.1559 3.1559 3.3889 3.3889 3.6296 3.6296 4.2542 4.2542 4.2713 4.2713 4.7128 4.7128 5.0998 5.0998 5.6928 5.6928 5.7547 5.7547 6.1527 6.1527 6.2455 6.2455 6.2634 6.2634 6.3990 6.3990 6.9947 6.9947 9.6300 9.6300 9.7887 9.7887 10.1880 10.1880 10.4743 10.4743 12.3962 12.3962 12.5637 12.5637 21.1909 21.1909 k = 0.3333 0.5774 0.5866 ( 2220 PWs) bands (ev): 2.8547 2.8547 3.1559 3.1559 3.3884 3.3884 3.6297 3.6297 4.2543 4.2543 4.2712 4.2712 4.7132 4.7132 5.0992 5.0992 5.6941 5.6941 5.7541 5.7541 6.1530 6.1530 6.2449 6.2449 6.2637 6.2637 6.3990 6.3990 6.9947 6.9947 9.6360 9.6360 9.7947 9.7947 10.3195 10.3195 10.3395 10.3395 12.3873 12.3873 12.5545 12.5545 21.1945 21.1945 Writing output data file Hg.save init_run : 0.17s CPU 0.29s WALL ( 1 calls) electrons : 164.76s CPU 168.03s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.01s CPU 0.05s WALL ( 1 calls) Called by electrons: c_bands : 164.75s CPU 168.02s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.05s CPU 0.06s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.04s CPU 0.02s WALL ( 354 calls) cegterg : 158.16s CPU 160.94s WALL ( 917 calls) Called by sum_band: Called by *egterg: h_psi : 66.61s CPU 68.46s WALL ( 15894 calls) s_psi : 4.98s CPU 4.89s WALL ( 15894 calls) g_psi : 0.27s CPU 0.21s WALL ( 14623 calls) cdiaghg : 76.60s CPU 77.71s WALL ( 14977 calls) cegterg:over : 5.44s CPU 5.64s WALL ( 14623 calls) cegterg:upda : 3.88s CPU 3.81s WALL ( 14623 calls) cegterg:last : 2.34s CPU 2.40s WALL ( 2333 calls) cdiaghg:chol : 3.99s CPU 4.05s WALL ( 14977 calls) cdiaghg:inve : 2.48s CPU 2.53s WALL ( 14977 calls) cdiaghg:para : 4.58s CPU 4.35s WALL ( 29954 calls) Called by h_psi: h_psi:vloc : 56.30s CPU 57.71s WALL ( 15894 calls) h_psi:vnl : 10.16s CPU 10.58s WALL ( 15894 calls) add_vuspsi : 5.65s CPU 5.75s WALL ( 15894 calls) General routines calbec : 4.46s CPU 4.78s WALL ( 15894 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 50.32s CPU 51.74s WALL ( 1226388 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.11s CPU 0.26s WALL ( 708 calls) Parallel routines fft_scatter : 25.24s CPU 25.82s WALL ( 1226411 calls) PWSCF : 2m55.68s CPU 3m 8.04s WALL This run was terminated on: 19:34:48 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=