Program PWSCF v.5.3.0 (svn rev. 11974) starts on 31Jan2017 at 14:34:47 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 72 processors R & G space division: proc/nbgrp/npool/nimage = 72 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./CsMgI3.save/ file Mg.rel-pbe-spnl-rrkjus_psl.1.0.0.UPF: wavefunction(s) 2P 2P renormalized file I.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 6* 6 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 88 73 19 4892 3679 515 Max 89 74 20 4897 3716 522 Sum 6391 5305 1417 352409 265875 37359 bravais-lattice index = 14 lattice parameter (alat) = 15.4920 a.u. unit-cell volume = 2750.9906 (a.u.)^3 number of atoms/cell = 10 number of atomic types = 3 number of electrons = 80.00 number of Kohn-Sham states= 96 kinetic-energy cutoff = 80.0000 Ry charge density cutoff = 386.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 15.491974 celldm(2)= 1.000000 celldm(3)= 0.854355 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 0.854355 ) 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 1.170474 ) PseudoPot. # 1 for Mg read from file: /users/gautes/Pseudo/Mg.rel-pbe-spnl-rrkjus_psl.1.0.0.UPF MD5 check sum: 99618f2d1dea131ec68d28ce241ef835 Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1129 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for I read from file: /users/gautes/Pseudo/I.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 7c65668ffc3f6431347fa26e98076fd5 Pseudo is Ultrasoft + core correction, Zval = 7.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1247 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Cs read from file: /users/gautes/Pseudo/Cs.rel-pbe-oncvpsp.UPF MD5 check sum: b26d75608c6aa7e713949ad9f7a49707 Pseudo is Norm-conserving, Zval = 9.0 Generated using ONCVPSP code by D. R. Hamann Using radial grid of 2414 points, 14 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 l(11) = 3 l(12) = 3 l(13) = 3 l(14) = 3 atomic species valence mass pseudopotential Mg 10.00 24.30500 Mg( 1.00) I 7.00 126.90450 I( 1.00) Cs 9.00 132.90550 Cs( 1.00) 24 Sym. Ops., with inversion, found (12 have fractional translation) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) f =( 0.0000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.4271774 ) isym = 3 180 deg rotation - cart. axis [0,1,0] cryst. s( 3) = ( -1 0 0 ) f =( 0.0000000 ) ( 1 1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( -0.5000000 ) cart. s( 3) = ( -1.0000000 0.0000000 -0.0000000 ) f =( -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( -0.4271774 ) isym = 4 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( 1 0 0 ) ( -1 -1 0 ) ( 0 0 -1 ) cart. s( 4) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 5 60 deg rotation - cryst. axis [0,0,1] cryst. s( 5) = ( 1 1 0 ) f =( 0.0000000 ) ( -1 0 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s( 5) = ( 0.5000000 -0.8660254 0.0000000 ) f =( -0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.4271774 ) isym = 6 60 deg rotation - cryst. axis [0,0,-1] cryst. s( 6) = ( 0 -1 0 ) f =( 0.0000000 ) ( 1 1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s( 6) = ( 0.5000000 0.8660254 -0.0000000 ) f =( -0.0000000 ) ( -0.8660254 0.5000000 0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.4271774 ) isym = 7 120 deg rotation - cryst. axis [0,0,1] cryst. s( 7) = ( 0 1 0 ) ( -1 -1 0 ) ( 0 0 1 ) cart. s( 7) = ( -0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 8 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 8) = ( -1 -1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s( 8) = ( -0.5000000 0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 9 180 deg rotation - cryst. axis [1,-1,0] cryst. s( 9) = ( 0 -1 0 ) f =( 0.0000000 ) ( -1 0 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( -0.5000000 ) cart. s( 9) = ( 0.5000000 -0.8660254 -0.0000000 ) f =( -0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( -0.4271774 ) isym = 10 180 deg rotation - cryst. axis [2,1,0] cryst. s(10) = ( 1 1 0 ) f =( 0.0000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( -0.5000000 ) cart. s(10) = ( 0.5000000 0.8660254 -0.0000000 ) f =( -0.0000000 ) ( 0.8660254 -0.5000000 -0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( -0.4271774 ) isym = 11 180 deg rotation - cryst. axis [0,1,0] cryst. s(11) = ( -1 -1 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s(11) = ( -0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 12 180 deg rotation - cryst. axis [1,1,0] cryst. s(12) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s(12) = ( -0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 13 inversion cryst. s(13) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s(13) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 14 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s(14) = ( 1 0 0 ) f =( 0.0000000 ) ( 0 1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( -0.5000000 ) cart. s(14) = ( 1.0000000 0.0000000 -0.0000000 ) f =( -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( -0.4271774 ) isym = 15 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s(15) = ( 1 0 0 ) f =( 0.0000000 ) ( -1 -1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s(15) = ( 1.0000000 -0.0000000 0.0000000 ) f =( -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.4271774 ) isym = 16 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s(16) = ( -1 0 0 ) ( 1 1 0 ) ( 0 0 1 ) cart. s(16) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 17 inv. 60 deg rotation - cryst. axis [0,0,1] cryst. s(17) = ( -1 -1 0 ) f =( 0.0000000 ) ( 1 0 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( -0.5000000 ) cart. s(17) = ( -0.5000000 0.8660254 -0.0000000 ) f =( -0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( -0.4271774 ) isym = 18 inv. 60 deg rotation - cryst. axis [0,0,-1] cryst. s(18) = ( 0 1 0 ) f =( 0.0000000 ) ( -1 -1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( -0.5000000 ) cart. s(18) = ( -0.5000000 -0.8660254 0.0000000 ) f =( -0.0000000 ) ( 0.8660254 -0.5000000 -0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( -0.4271774 ) isym = 19 inv. 120 deg rotation - cryst. axis [0,0,1] cryst. s(19) = ( 0 -1 0 ) ( 1 1 0 ) ( 0 0 -1 ) cart. s(19) = ( 0.5000000 0.8660254 -0.0000000 ) ( -0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 20 inv. 120 deg rotation - cryst. axis [0,0,-1] cryst. s(20) = ( 1 1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s(20) = ( 0.5000000 -0.8660254 -0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 21 inv. 180 deg rotation - cryst. axis [1,-1,0] cryst. s(21) = ( 0 1 0 ) f =( 0.0000000 ) ( 1 0 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s(21) = ( -0.5000000 0.8660254 0.0000000 ) f =( -0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.4271774 ) isym = 22 inv. 180 deg rotation - cryst. axis [2,1,0] cryst. s(22) = ( -1 -1 0 ) f =( 0.0000000 ) ( 0 1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s(22) = ( -0.5000000 -0.8660254 0.0000000 ) f =( -0.0000000 ) ( -0.8660254 0.5000000 0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.4271774 ) 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= 202 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0049505 k( 2) = ( 0.0217391 0.0125511 -0.0000000), wk = 0.0049505 k( 3) = ( 0.0434783 0.0251022 -0.0000000), wk = 0.0049505 k( 4) = ( 0.0652174 0.0376533 -0.0000000), wk = 0.0049505 k( 5) = ( 0.0869565 0.0502044 -0.0000000), wk = 0.0049505 k( 6) = ( 0.1086957 0.0627555 -0.0000000), wk = 0.0049505 k( 7) = ( 0.1304348 0.0753066 -0.0000000), wk = 0.0049505 k( 8) = ( 0.1521739 0.0878576 -0.0000000), wk = 0.0049505 k( 9) = ( 0.1739130 0.1004087 -0.0000000), wk = 0.0049505 k( 10) = ( 0.1956522 0.1129598 -0.0000000), wk = 0.0049505 k( 11) = ( 0.2173913 0.1255109 -0.0000000), wk = 0.0049505 k( 12) = ( 0.2391304 0.1380620 -0.0000000), wk = 0.0049505 k( 13) = ( 0.2608696 0.1506131 -0.0000000), wk = 0.0049505 k( 14) = ( 0.2826087 0.1631642 -0.0000000), wk = 0.0049505 k( 15) = ( 0.3043478 0.1757153 -0.0000000), wk = 0.0049505 k( 16) = ( 0.3260870 0.1882664 -0.0000000), wk = 0.0049505 k( 17) = ( 0.3478261 0.2008175 -0.0000000), wk = 0.0049505 k( 18) = ( 0.3695652 0.2133686 -0.0000000), wk = 0.0049505 k( 19) = ( 0.3913044 0.2259197 -0.0000000), wk = 0.0049505 k( 20) = ( 0.4130435 0.2384708 -0.0000000), wk = 0.0049505 k( 21) = ( 0.4347826 0.2510219 -0.0000000), wk = 0.0049505 k( 22) = ( 0.4565217 0.2635729 -0.0000000), wk = 0.0049505 k( 23) = ( 0.4782609 0.2761240 -0.0000000), wk = 0.0049505 k( 24) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0049505 k( 25) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0049505 k( 26) = ( 0.4871795 0.3108809 -0.0000000), wk = 0.0049505 k( 27) = ( 0.4743590 0.3330867 -0.0000000), wk = 0.0049505 k( 28) = ( 0.4615385 0.3552925 -0.0000000), wk = 0.0049505 k( 29) = ( 0.4487179 0.3774983 -0.0000000), wk = 0.0049505 k( 30) = ( 0.4358974 0.3997040 -0.0000000), wk = 0.0049505 k( 31) = ( 0.4230769 0.4219098 -0.0000000), wk = 0.0049505 k( 32) = ( 0.4102564 0.4441156 -0.0000000), wk = 0.0049505 k( 33) = ( 0.3974359 0.4663214 -0.0000000), wk = 0.0049505 k( 34) = ( 0.3846154 0.4885271 -0.0000000), wk = 0.0049505 k( 35) = ( 0.3717949 0.5107329 -0.0000000), wk = 0.0049505 k( 36) = ( 0.3589744 0.5329387 -0.0000000), wk = 0.0049505 k( 37) = ( 0.3461538 0.5551445 -0.0000000), wk = 0.0049505 k( 38) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0049505 k( 39) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0049505 k( 40) = ( 0.3205128 0.5551445 -0.0000000), wk = 0.0049505 k( 41) = ( 0.3076923 0.5329387 -0.0000000), wk = 0.0049505 k( 42) = ( 0.2948718 0.5107329 -0.0000000), wk = 0.0049505 k( 43) = ( 0.2820513 0.4885271 -0.0000000), wk = 0.0049505 k( 44) = ( 0.2692308 0.4663214 -0.0000000), wk = 0.0049505 k( 45) = ( 0.2564103 0.4441156 -0.0000000), wk = 0.0049505 k( 46) = ( 0.2435897 0.4219098 -0.0000000), wk = 0.0049505 k( 47) = ( 0.2307692 0.3997040 -0.0000000), wk = 0.0049505 k( 48) = ( 0.2179487 0.3774983 -0.0000000), wk = 0.0049505 k( 49) = ( 0.2051282 0.3552925 -0.0000000), wk = 0.0049505 k( 50) = ( 0.1923077 0.3330867 -0.0000000), wk = 0.0049505 k( 51) = ( 0.1794872 0.3108809 -0.0000000), wk = 0.0049505 k( 52) = ( 0.1666667 0.2886751 -0.0000000), wk = 0.0049505 k( 53) = ( 0.1538461 0.2664693 -0.0000000), wk = 0.0049505 k( 54) = ( 0.1410256 0.2442636 -0.0000000), wk = 0.0049505 k( 55) = ( 0.1282051 0.2220578 -0.0000000), wk = 0.0049505 k( 56) = ( 0.1153846 0.1998520 -0.0000000), wk = 0.0049505 k( 57) = ( 0.1025641 0.1776462 -0.0000000), wk = 0.0049505 k( 58) = ( 0.0897436 0.1554405 -0.0000000), wk = 0.0049505 k( 59) = ( 0.0769231 0.1332347 -0.0000000), wk = 0.0049505 k( 60) = ( 0.0641026 0.1110289 -0.0000000), wk = 0.0049505 k( 61) = ( 0.0512821 0.0888231 -0.0000000), wk = 0.0049505 k( 62) = ( 0.0384615 0.0666173 -0.0000000), wk = 0.0049505 k( 63) = ( 0.0256410 0.0444116 -0.0000000), wk = 0.0049505 k( 64) = ( 0.0128205 0.0222058 -0.0000000), wk = 0.0049505 k( 65) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0049505 k( 66) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0049505 k( 67) = ( 0.0000000 0.0000000 0.0254451), wk = 0.0049505 k( 68) = ( 0.0000000 0.0000000 0.0508902), wk = 0.0049505 k( 69) = ( 0.0000000 0.0000000 0.0763353), wk = 0.0049505 k( 70) = ( 0.0000000 0.0000000 0.1017803), wk = 0.0049505 k( 71) = ( 0.0000000 0.0000000 0.1272254), wk = 0.0049505 k( 72) = ( 0.0000000 0.0000000 0.1526705), wk = 0.0049505 k( 73) = ( 0.0000000 0.0000000 0.1781156), wk = 0.0049505 k( 74) = ( 0.0000000 0.0000000 0.2035607), wk = 0.0049505 k( 75) = ( 0.0000000 0.0000000 0.2290058), wk = 0.0049505 k( 76) = ( 0.0000000 0.0000000 0.2544509), wk = 0.0049505 k( 77) = ( 0.0000000 0.0000000 0.2798960), wk = 0.0049505 k( 78) = ( 0.0000000 0.0000000 0.3053411), wk = 0.0049505 k( 79) = ( 0.0000000 0.0000000 0.3307861), wk = 0.0049505 k( 80) = ( 0.0000000 0.0000000 0.3562312), wk = 0.0049505 k( 81) = ( 0.0000000 0.0000000 0.3816763), wk = 0.0049505 k( 82) = ( 0.0000000 0.0000000 0.4071214), wk = 0.0049505 k( 83) = ( 0.0000000 0.0000000 0.4325665), wk = 0.0049505 k( 84) = ( 0.0000000 0.0000000 0.4580116), wk = 0.0049505 k( 85) = ( 0.0000000 0.0000000 0.4834567), wk = 0.0049505 k( 86) = ( 0.0000000 0.0000000 0.5089017), wk = 0.0049505 k( 87) = ( 0.0000000 0.0000000 0.5343468), wk = 0.0049505 k( 88) = ( 0.0000000 0.0000000 0.5597919), wk = 0.0049505 k( 89) = ( 0.0000000 0.0000000 0.5852370), wk = 0.0049505 k( 90) = ( 0.0000000 0.0000000 0.5852370), wk = 0.0049505 k( 91) = ( 0.0217391 0.0125511 0.5852370), wk = 0.0049505 k( 92) = ( 0.0434783 0.0251022 0.5852370), wk = 0.0049505 k( 93) = ( 0.0652174 0.0376533 0.5852370), wk = 0.0049505 k( 94) = ( 0.0869565 0.0502044 0.5852370), wk = 0.0049505 k( 95) = ( 0.1086957 0.0627555 0.5852370), wk = 0.0049505 k( 96) = ( 0.1304348 0.0753066 0.5852370), wk = 0.0049505 k( 97) = ( 0.1521739 0.0878576 0.5852370), wk = 0.0049505 k( 98) = ( 0.1739130 0.1004087 0.5852370), wk = 0.0049505 k( 99) = ( 0.1956522 0.1129598 0.5852370), wk = 0.0049505 k( 100) = ( 0.2173913 0.1255109 0.5852370), wk = 0.0049505 k( 101) = ( 0.2391304 0.1380620 0.5852370), wk = 0.0049505 k( 102) = ( 0.2608696 0.1506131 0.5852370), wk = 0.0049505 k( 103) = ( 0.2826087 0.1631642 0.5852370), wk = 0.0049505 k( 104) = ( 0.3043478 0.1757153 0.5852370), wk = 0.0049505 k( 105) = ( 0.3260870 0.1882664 0.5852370), wk = 0.0049505 k( 106) = ( 0.3478261 0.2008175 0.5852370), wk = 0.0049505 k( 107) = ( 0.3695652 0.2133686 0.5852370), wk = 0.0049505 k( 108) = ( 0.3913044 0.2259197 0.5852370), wk = 0.0049505 k( 109) = ( 0.4130435 0.2384708 0.5852370), wk = 0.0049505 k( 110) = ( 0.4347826 0.2510219 0.5852370), wk = 0.0049505 k( 111) = ( 0.4565217 0.2635729 0.5852370), wk = 0.0049505 k( 112) = ( 0.4782609 0.2761240 0.5852370), wk = 0.0049505 k( 113) = ( 0.5000000 0.2886751 0.5852370), wk = 0.0049505 k( 114) = ( 0.5000000 0.2886751 0.5852370), wk = 0.0049505 k( 115) = ( 0.4871795 0.3108809 0.5852370), wk = 0.0049505 k( 116) = ( 0.4743590 0.3330867 0.5852370), wk = 0.0049505 k( 117) = ( 0.4615385 0.3552925 0.5852370), wk = 0.0049505 k( 118) = ( 0.4487179 0.3774983 0.5852370), wk = 0.0049505 k( 119) = ( 0.4358974 0.3997040 0.5852370), wk = 0.0049505 k( 120) = ( 0.4230769 0.4219098 0.5852370), wk = 0.0049505 k( 121) = ( 0.4102564 0.4441156 0.5852370), wk = 0.0049505 k( 122) = ( 0.3974359 0.4663214 0.5852370), wk = 0.0049505 k( 123) = ( 0.3846154 0.4885271 0.5852370), wk = 0.0049505 k( 124) = ( 0.3717949 0.5107329 0.5852370), wk = 0.0049505 k( 125) = ( 0.3589744 0.5329387 0.5852370), wk = 0.0049505 k( 126) = ( 0.3461538 0.5551445 0.5852370), wk = 0.0049505 k( 127) = ( 0.3333333 0.5773503 0.5852370), wk = 0.0049505 k( 128) = ( 0.3333333 0.5773503 0.5852370), wk = 0.0049505 k( 129) = ( 0.3205128 0.5551445 0.5852370), wk = 0.0049505 k( 130) = ( 0.3076923 0.5329387 0.5852370), wk = 0.0049505 k( 131) = ( 0.2948718 0.5107329 0.5852370), wk = 0.0049505 k( 132) = ( 0.2820513 0.4885271 0.5852370), wk = 0.0049505 k( 133) = ( 0.2692308 0.4663214 0.5852370), wk = 0.0049505 k( 134) = ( 0.2564103 0.4441156 0.5852370), wk = 0.0049505 k( 135) = ( 0.2435897 0.4219098 0.5852370), wk = 0.0049505 k( 136) = ( 0.2307692 0.3997040 0.5852370), wk = 0.0049505 k( 137) = ( 0.2179487 0.3774983 0.5852370), wk = 0.0049505 k( 138) = ( 0.2051282 0.3552925 0.5852370), wk = 0.0049505 k( 139) = ( 0.1923077 0.3330867 0.5852370), wk = 0.0049505 k( 140) = ( 0.1794872 0.3108809 0.5852370), wk = 0.0049505 k( 141) = ( 0.1666667 0.2886751 0.5852370), wk = 0.0049505 k( 142) = ( 0.1538461 0.2664693 0.5852370), wk = 0.0049505 k( 143) = ( 0.1410256 0.2442636 0.5852370), wk = 0.0049505 k( 144) = ( 0.1282051 0.2220578 0.5852370), wk = 0.0049505 k( 145) = ( 0.1153846 0.1998520 0.5852370), wk = 0.0049505 k( 146) = ( 0.1025641 0.1776462 0.5852370), wk = 0.0049505 k( 147) = ( 0.0897436 0.1554405 0.5852370), wk = 0.0049505 k( 148) = ( 0.0769231 0.1332347 0.5852370), wk = 0.0049505 k( 149) = ( 0.0641026 0.1110289 0.5852370), wk = 0.0049505 k( 150) = ( 0.0512821 0.0888231 0.5852370), wk = 0.0049505 k( 151) = ( 0.0384615 0.0666173 0.5852370), wk = 0.0049505 k( 152) = ( 0.0256410 0.0444116 0.5852370), wk = 0.0049505 k( 153) = ( 0.0128205 0.0222058 0.5852370), wk = 0.0049505 k( 154) = ( 0.0000000 0.0000000 0.5852370), wk = 0.0049505 k( 155) = ( 0.5000000 0.2886751 0.5852370), wk = 0.0049505 k( 156) = ( 0.5000000 0.2886751 0.5597919), wk = 0.0049505 k( 157) = ( 0.5000000 0.2886751 0.5343468), wk = 0.0049505 k( 158) = ( 0.5000000 0.2886751 0.5089017), wk = 0.0049505 k( 159) = ( 0.5000000 0.2886751 0.4834567), wk = 0.0049505 k( 160) = ( 0.5000000 0.2886751 0.4580116), wk = 0.0049505 k( 161) = ( 0.5000000 0.2886751 0.4325665), wk = 0.0049505 k( 162) = ( 0.5000000 0.2886751 0.4071214), wk = 0.0049505 k( 163) = ( 0.5000000 0.2886751 0.3816763), wk = 0.0049505 k( 164) = ( 0.5000000 0.2886751 0.3562312), wk = 0.0049505 k( 165) = ( 0.5000000 0.2886751 0.3307861), wk = 0.0049505 k( 166) = ( 0.5000000 0.2886751 0.3053411), wk = 0.0049505 k( 167) = ( 0.5000000 0.2886751 0.2798960), wk = 0.0049505 k( 168) = ( 0.5000000 0.2886751 0.2544509), wk = 0.0049505 k( 169) = ( 0.5000000 0.2886751 0.2290058), wk = 0.0049505 k( 170) = ( 0.5000000 0.2886751 0.2035607), wk = 0.0049505 k( 171) = ( 0.5000000 0.2886751 0.1781156), wk = 0.0049505 k( 172) = ( 0.5000000 0.2886751 0.1526705), wk = 0.0049505 k( 173) = ( 0.5000000 0.2886751 0.1272254), wk = 0.0049505 k( 174) = ( 0.5000000 0.2886751 0.1017803), wk = 0.0049505 k( 175) = ( 0.5000000 0.2886751 0.0763353), wk = 0.0049505 k( 176) = ( 0.5000000 0.2886751 0.0508902), wk = 0.0049505 k( 177) = ( 0.5000000 0.2886751 0.0254451), wk = 0.0049505 k( 178) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0049505 k( 179) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0049505 k( 180) = ( 0.3333333 0.5773503 0.0254451), wk = 0.0049505 k( 181) = ( 0.3333333 0.5773503 0.0508902), wk = 0.0049505 k( 182) = ( 0.3333333 0.5773503 0.0763353), wk = 0.0049505 k( 183) = ( 0.3333333 0.5773503 0.1017803), wk = 0.0049505 k( 184) = ( 0.3333333 0.5773503 0.1272254), wk = 0.0049505 k( 185) = ( 0.3333333 0.5773503 0.1526705), wk = 0.0049505 k( 186) = ( 0.3333333 0.5773503 0.1781156), wk = 0.0049505 k( 187) = ( 0.3333333 0.5773503 0.2035607), wk = 0.0049505 k( 188) = ( 0.3333333 0.5773503 0.2290058), wk = 0.0049505 k( 189) = ( 0.3333333 0.5773503 0.2544509), wk = 0.0049505 k( 190) = ( 0.3333333 0.5773503 0.2798960), wk = 0.0049505 k( 191) = ( 0.3333333 0.5773503 0.3053411), wk = 0.0049505 k( 192) = ( 0.3333333 0.5773503 0.3307861), wk = 0.0049505 k( 193) = ( 0.3333333 0.5773503 0.3562312), wk = 0.0049505 k( 194) = ( 0.3333333 0.5773503 0.3816763), wk = 0.0049505 k( 195) = ( 0.3333333 0.5773503 0.4071214), wk = 0.0049505 k( 196) = ( 0.3333333 0.5773503 0.4325665), wk = 0.0049505 k( 197) = ( 0.3333333 0.5773503 0.4580116), wk = 0.0049505 k( 198) = ( 0.3333333 0.5773503 0.4834567), wk = 0.0049505 k( 199) = ( 0.3333333 0.5773503 0.5089017), wk = 0.0049505 k( 200) = ( 0.3333333 0.5773503 0.5343468), wk = 0.0049505 k( 201) = ( 0.3333333 0.5773503 0.5597919), wk = 0.0049505 k( 202) = ( 0.3333333 0.5773503 0.5852370), wk = 0.0049505 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0049505 k( 2) = ( 0.0217391 -0.0000000 0.0000000), wk = 0.0049505 k( 3) = ( 0.0434783 -0.0000000 0.0000000), wk = 0.0049505 k( 4) = ( 0.0652174 -0.0000000 -0.0000000), wk = 0.0049505 k( 5) = ( 0.0869565 -0.0000000 0.0000000), wk = 0.0049505 k( 6) = ( 0.1086957 -0.0000000 -0.0000000), wk = 0.0049505 k( 7) = ( 0.1304348 -0.0000000 -0.0000000), wk = 0.0049505 k( 8) = ( 0.1521739 -0.0000000 -0.0000000), wk = 0.0049505 k( 9) = ( 0.1739130 -0.0000000 0.0000000), wk = 0.0049505 k( 10) = ( 0.1956522 0.0000000 -0.0000000), wk = 0.0049505 k( 11) = ( 0.2173913 -0.0000000 -0.0000000), wk = 0.0049505 k( 12) = ( 0.2391304 -0.0000000 -0.0000000), wk = 0.0049505 k( 13) = ( 0.2608696 0.0000000 -0.0000000), wk = 0.0049505 k( 14) = ( 0.2826087 -0.0000000 -0.0000000), wk = 0.0049505 k( 15) = ( 0.3043478 -0.0000000 -0.0000000), wk = 0.0049505 k( 16) = ( 0.3260870 -0.0000000 -0.0000000), wk = 0.0049505 k( 17) = ( 0.3478261 0.0000000 0.0000000), wk = 0.0049505 k( 18) = ( 0.3695652 0.0000000 -0.0000000), wk = 0.0049505 k( 19) = ( 0.3913044 -0.0000000 -0.0000000), wk = 0.0049505 k( 20) = ( 0.4130435 -0.0000000 0.0000000), wk = 0.0049505 k( 21) = ( 0.4347826 -0.0000000 -0.0000000), wk = 0.0049505 k( 22) = ( 0.4565217 -0.0000000 -0.0000000), wk = 0.0049505 k( 23) = ( 0.4782609 -0.0000000 -0.0000000), wk = 0.0049505 k( 24) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0049505 k( 25) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0049505 k( 26) = ( 0.4871795 0.0256410 -0.0000000), wk = 0.0049505 k( 27) = ( 0.4743590 0.0512820 -0.0000000), wk = 0.0049505 k( 28) = ( 0.4615385 0.0769231 -0.0000000), wk = 0.0049505 k( 29) = ( 0.4487179 0.1025641 -0.0000000), wk = 0.0049505 k( 30) = ( 0.4358974 0.1282051 -0.0000000), wk = 0.0049505 k( 31) = ( 0.4230769 0.1538461 -0.0000000), wk = 0.0049505 k( 32) = ( 0.4102564 0.1794872 -0.0000000), wk = 0.0049505 k( 33) = ( 0.3974359 0.2051282 -0.0000000), wk = 0.0049505 k( 34) = ( 0.3846154 0.2307692 0.0000000), wk = 0.0049505 k( 35) = ( 0.3717949 0.2564103 0.0000000), wk = 0.0049505 k( 36) = ( 0.3589744 0.2820513 -0.0000000), wk = 0.0049505 k( 37) = ( 0.3461538 0.3076923 0.0000000), wk = 0.0049505 k( 38) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0049505 k( 39) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0049505 k( 40) = ( 0.3205128 0.3205128 0.0000000), wk = 0.0049505 k( 41) = ( 0.3076923 0.3076923 -0.0000000), wk = 0.0049505 k( 42) = ( 0.2948718 0.2948718 0.0000000), wk = 0.0049505 k( 43) = ( 0.2820513 0.2820513 0.0000000), wk = 0.0049505 k( 44) = ( 0.2692308 0.2692308 -0.0000000), wk = 0.0049505 k( 45) = ( 0.2564103 0.2564103 0.0000000), wk = 0.0049505 k( 46) = ( 0.2435897 0.2435897 -0.0000000), wk = 0.0049505 k( 47) = ( 0.2307692 0.2307692 0.0000000), wk = 0.0049505 k( 48) = ( 0.2179487 0.2179487 -0.0000000), wk = 0.0049505 k( 49) = ( 0.2051282 0.2051282 -0.0000000), wk = 0.0049505 k( 50) = ( 0.1923077 0.1923077 -0.0000000), wk = 0.0049505 k( 51) = ( 0.1794872 0.1794872 0.0000000), wk = 0.0049505 k( 52) = ( 0.1666667 0.1666667 -0.0000000), wk = 0.0049505 k( 53) = ( 0.1538461 0.1538462 0.0000000), wk = 0.0049505 k( 54) = ( 0.1410256 0.1410256 0.0000000), wk = 0.0049505 k( 55) = ( 0.1282051 0.1282051 0.0000000), wk = 0.0049505 k( 56) = ( 0.1153846 0.1153846 0.0000000), wk = 0.0049505 k( 57) = ( 0.1025641 0.1025641 -0.0000000), wk = 0.0049505 k( 58) = ( 0.0897436 0.0897436 0.0000000), wk = 0.0049505 k( 59) = ( 0.0769231 0.0769231 0.0000000), wk = 0.0049505 k( 60) = ( 0.0641026 0.0641026 -0.0000000), wk = 0.0049505 k( 61) = ( 0.0512821 0.0512821 -0.0000000), wk = 0.0049505 k( 62) = ( 0.0384615 0.0384615 0.0000000), wk = 0.0049505 k( 63) = ( 0.0256410 0.0256410 0.0000000), wk = 0.0049505 k( 64) = ( 0.0128205 0.0128205 -0.0000000), wk = 0.0049505 k( 65) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0049505 k( 66) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0049505 k( 67) = ( 0.0000000 0.0000000 0.0217391), wk = 0.0049505 k( 68) = ( 0.0000000 0.0000000 0.0434783), wk = 0.0049505 k( 69) = ( 0.0000000 0.0000000 0.0652174), wk = 0.0049505 k( 70) = ( 0.0000000 0.0000000 0.0869565), wk = 0.0049505 k( 71) = ( 0.0000000 0.0000000 0.1086957), wk = 0.0049505 k( 72) = ( 0.0000000 0.0000000 0.1304348), wk = 0.0049505 k( 73) = ( 0.0000000 0.0000000 0.1521739), wk = 0.0049505 k( 74) = ( 0.0000000 0.0000000 0.1739130), wk = 0.0049505 k( 75) = ( 0.0000000 0.0000000 0.1956522), wk = 0.0049505 k( 76) = ( 0.0000000 0.0000000 0.2173913), wk = 0.0049505 k( 77) = ( 0.0000000 0.0000000 0.2391304), wk = 0.0049505 k( 78) = ( 0.0000000 0.0000000 0.2608696), wk = 0.0049505 k( 79) = ( 0.0000000 0.0000000 0.2826087), wk = 0.0049505 k( 80) = ( 0.0000000 0.0000000 0.3043478), wk = 0.0049505 k( 81) = ( 0.0000000 0.0000000 0.3260870), wk = 0.0049505 k( 82) = ( 0.0000000 0.0000000 0.3478261), wk = 0.0049505 k( 83) = ( 0.0000000 0.0000000 0.3695652), wk = 0.0049505 k( 84) = ( 0.0000000 0.0000000 0.3913044), wk = 0.0049505 k( 85) = ( 0.0000000 0.0000000 0.4130435), wk = 0.0049505 k( 86) = ( 0.0000000 0.0000000 0.4347826), wk = 0.0049505 k( 87) = ( 0.0000000 0.0000000 0.4565217), wk = 0.0049505 k( 88) = ( 0.0000000 0.0000000 0.4782609), wk = 0.0049505 k( 89) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0049505 k( 90) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0049505 k( 91) = ( 0.0217391 -0.0000000 0.5000000), wk = 0.0049505 k( 92) = ( 0.0434783 -0.0000000 0.5000000), wk = 0.0049505 k( 93) = ( 0.0652174 -0.0000000 0.5000000), wk = 0.0049505 k( 94) = ( 0.0869565 -0.0000000 0.5000000), wk = 0.0049505 k( 95) = ( 0.1086957 -0.0000000 0.5000000), wk = 0.0049505 k( 96) = ( 0.1304348 -0.0000000 0.5000000), wk = 0.0049505 k( 97) = ( 0.1521739 -0.0000000 0.5000000), wk = 0.0049505 k( 98) = ( 0.1739130 -0.0000000 0.5000000), wk = 0.0049505 k( 99) = ( 0.1956522 0.0000000 0.5000000), wk = 0.0049505 k( 100) = ( 0.2173913 -0.0000000 0.5000000), wk = 0.0049505 k( 101) = ( 0.2391304 -0.0000000 0.5000000), wk = 0.0049505 k( 102) = ( 0.2608696 0.0000000 0.5000000), wk = 0.0049505 k( 103) = ( 0.2826087 -0.0000000 0.5000000), wk = 0.0049505 k( 104) = ( 0.3043478 -0.0000000 0.5000000), wk = 0.0049505 k( 105) = ( 0.3260870 -0.0000000 0.5000000), wk = 0.0049505 k( 106) = ( 0.3478261 0.0000000 0.5000000), wk = 0.0049505 k( 107) = ( 0.3695652 0.0000000 0.5000000), wk = 0.0049505 k( 108) = ( 0.3913044 -0.0000000 0.5000000), wk = 0.0049505 k( 109) = ( 0.4130435 -0.0000000 0.5000000), wk = 0.0049505 k( 110) = ( 0.4347826 -0.0000000 0.5000000), wk = 0.0049505 k( 111) = ( 0.4565217 -0.0000000 0.5000000), wk = 0.0049505 k( 112) = ( 0.4782609 -0.0000000 0.5000000), wk = 0.0049505 k( 113) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0049505 k( 114) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0049505 k( 115) = ( 0.4871795 0.0256410 0.5000000), wk = 0.0049505 k( 116) = ( 0.4743590 0.0512820 0.5000000), wk = 0.0049505 k( 117) = ( 0.4615385 0.0769231 0.5000000), wk = 0.0049505 k( 118) = ( 0.4487179 0.1025641 0.5000000), wk = 0.0049505 k( 119) = ( 0.4358974 0.1282051 0.5000000), wk = 0.0049505 k( 120) = ( 0.4230769 0.1538461 0.5000000), wk = 0.0049505 k( 121) = ( 0.4102564 0.1794872 0.5000000), wk = 0.0049505 k( 122) = ( 0.3974359 0.2051282 0.5000000), wk = 0.0049505 k( 123) = ( 0.3846154 0.2307692 0.5000000), wk = 0.0049505 k( 124) = ( 0.3717949 0.2564103 0.5000000), wk = 0.0049505 k( 125) = ( 0.3589744 0.2820513 0.5000000), wk = 0.0049505 k( 126) = ( 0.3461538 0.3076923 0.5000000), wk = 0.0049505 k( 127) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0049505 k( 128) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0049505 k( 129) = ( 0.3205128 0.3205128 0.5000000), wk = 0.0049505 k( 130) = ( 0.3076923 0.3076923 0.5000000), wk = 0.0049505 k( 131) = ( 0.2948718 0.2948718 0.5000000), wk = 0.0049505 k( 132) = ( 0.2820513 0.2820513 0.5000000), wk = 0.0049505 k( 133) = ( 0.2692308 0.2692308 0.5000000), wk = 0.0049505 k( 134) = ( 0.2564103 0.2564103 0.5000000), wk = 0.0049505 k( 135) = ( 0.2435897 0.2435897 0.5000000), wk = 0.0049505 k( 136) = ( 0.2307692 0.2307692 0.5000000), wk = 0.0049505 k( 137) = ( 0.2179487 0.2179487 0.5000000), wk = 0.0049505 k( 138) = ( 0.2051282 0.2051282 0.5000000), wk = 0.0049505 k( 139) = ( 0.1923077 0.1923077 0.5000000), wk = 0.0049505 k( 140) = ( 0.1794872 0.1794872 0.5000000), wk = 0.0049505 k( 141) = ( 0.1666667 0.1666667 0.5000000), wk = 0.0049505 k( 142) = ( 0.1538461 0.1538462 0.5000000), wk = 0.0049505 k( 143) = ( 0.1410256 0.1410256 0.5000000), wk = 0.0049505 k( 144) = ( 0.1282051 0.1282051 0.5000000), wk = 0.0049505 k( 145) = ( 0.1153846 0.1153846 0.5000000), wk = 0.0049505 k( 146) = ( 0.1025641 0.1025641 0.5000000), wk = 0.0049505 k( 147) = ( 0.0897436 0.0897436 0.5000000), wk = 0.0049505 k( 148) = ( 0.0769231 0.0769231 0.5000000), wk = 0.0049505 k( 149) = ( 0.0641026 0.0641026 0.5000000), wk = 0.0049505 k( 150) = ( 0.0512821 0.0512821 0.5000000), wk = 0.0049505 k( 151) = ( 0.0384615 0.0384615 0.5000000), wk = 0.0049505 k( 152) = ( 0.0256410 0.0256410 0.5000000), wk = 0.0049505 k( 153) = ( 0.0128205 0.0128205 0.5000000), wk = 0.0049505 k( 154) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0049505 k( 155) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0049505 k( 156) = ( 0.5000000 0.0000000 0.4782609), wk = 0.0049505 k( 157) = ( 0.5000000 0.0000000 0.4565217), wk = 0.0049505 k( 158) = ( 0.5000000 0.0000000 0.4347826), wk = 0.0049505 k( 159) = ( 0.5000000 0.0000000 0.4130435), wk = 0.0049505 k( 160) = ( 0.5000000 0.0000000 0.3913044), wk = 0.0049505 k( 161) = ( 0.5000000 0.0000000 0.3695652), wk = 0.0049505 k( 162) = ( 0.5000000 0.0000000 0.3478261), wk = 0.0049505 k( 163) = ( 0.5000000 0.0000000 0.3260870), wk = 0.0049505 k( 164) = ( 0.5000000 0.0000000 0.3043478), wk = 0.0049505 k( 165) = ( 0.5000000 0.0000000 0.2826087), wk = 0.0049505 k( 166) = ( 0.5000000 0.0000000 0.2608696), wk = 0.0049505 k( 167) = ( 0.5000000 0.0000000 0.2391304), wk = 0.0049505 k( 168) = ( 0.5000000 0.0000000 0.2173913), wk = 0.0049505 k( 169) = ( 0.5000000 0.0000000 0.1956522), wk = 0.0049505 k( 170) = ( 0.5000000 0.0000000 0.1739130), wk = 0.0049505 k( 171) = ( 0.5000000 0.0000000 0.1521739), wk = 0.0049505 k( 172) = ( 0.5000000 0.0000000 0.1304348), wk = 0.0049505 k( 173) = ( 0.5000000 0.0000000 0.1086957), wk = 0.0049505 k( 174) = ( 0.5000000 0.0000000 0.0869565), wk = 0.0049505 k( 175) = ( 0.5000000 0.0000000 0.0652174), wk = 0.0049505 k( 176) = ( 0.5000000 0.0000000 0.0434783), wk = 0.0049505 k( 177) = ( 0.5000000 0.0000000 0.0217391), wk = 0.0049505 k( 178) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0049505 k( 179) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0049505 k( 180) = ( 0.3333333 0.3333333 0.0217391), wk = 0.0049505 k( 181) = ( 0.3333333 0.3333333 0.0434783), wk = 0.0049505 k( 182) = ( 0.3333333 0.3333333 0.0652174), wk = 0.0049505 k( 183) = ( 0.3333333 0.3333333 0.0869565), wk = 0.0049505 k( 184) = ( 0.3333333 0.3333333 0.1086957), wk = 0.0049505 k( 185) = ( 0.3333333 0.3333333 0.1304348), wk = 0.0049505 k( 186) = ( 0.3333333 0.3333333 0.1521739), wk = 0.0049505 k( 187) = ( 0.3333333 0.3333333 0.1739130), wk = 0.0049505 k( 188) = ( 0.3333333 0.3333333 0.1956522), wk = 0.0049505 k( 189) = ( 0.3333333 0.3333333 0.2173913), wk = 0.0049505 k( 190) = ( 0.3333333 0.3333333 0.2391304), wk = 0.0049505 k( 191) = ( 0.3333333 0.3333333 0.2608696), wk = 0.0049505 k( 192) = ( 0.3333333 0.3333333 0.2826087), wk = 0.0049505 k( 193) = ( 0.3333333 0.3333333 0.3043478), wk = 0.0049505 k( 194) = ( 0.3333333 0.3333333 0.3260870), wk = 0.0049505 k( 195) = ( 0.3333333 0.3333333 0.3478261), wk = 0.0049505 k( 196) = ( 0.3333333 0.3333333 0.3695652), wk = 0.0049505 k( 197) = ( 0.3333333 0.3333333 0.3913044), wk = 0.0049505 k( 198) = ( 0.3333333 0.3333333 0.4130435), wk = 0.0049505 k( 199) = ( 0.3333333 0.3333333 0.4347826), wk = 0.0049505 k( 200) = ( 0.3333333 0.3333333 0.4565217), wk = 0.0049505 k( 201) = ( 0.3333333 0.3333333 0.4782609), wk = 0.0049505 k( 202) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0049505 Dense grid: 352409 G-vectors FFT dimensions: ( 100, 100, 90) Smooth grid: 265875 G-vectors FFT dimensions: ( 90, 90, 75) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 1.39 Mb ( 948, 96) NL pseudopotentials 2.57 Mb ( 474, 356) Each V/rho on FFT grid 0.31 Mb ( 20000) Each G-vector array 0.04 Mb ( 4897) G-vector shells 0.02 Mb ( 2347) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 5.55 Mb ( 948, 384) Each subspace H/S matrix 0.06 Mb ( 64, 64) Each matrix 1.04 Mb ( 356, 2, 96) Check: negative/imaginary core charge= -0.000003 0.000000 The potential is recalculated from file : ./CsMgI3.save/charge-density.dat Starting wfc are 88 randomized atomic wfcs + 8 random wfc Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 6.9 secs Computing kpt #: 2 total cpu time spent up to now is 11.3 secs Computing kpt #: 3 total cpu time spent up to now is 15.7 secs Computing kpt #: 4 total cpu time spent up to now is 20.2 secs Computing kpt #: 5 total cpu time spent up to now is 24.8 secs Computing kpt #: 6 total cpu time spent up to now is 29.2 secs Computing kpt #: 7 total cpu time spent up to now is 33.8 secs Computing kpt #: 8 total cpu time spent up to now is 38.3 secs Computing kpt #: 9 total cpu time spent up to now is 42.8 secs Computing kpt #: 10 total cpu time spent up to now is 47.3 secs Computing kpt #: 11 total cpu time spent up to now is 51.9 secs Computing kpt #: 12 total cpu time spent up to now is 56.4 secs Computing kpt #: 13 total cpu time spent up to now is 61.0 secs Computing kpt #: 14 total cpu time spent up to now is 65.5 secs Computing kpt #: 15 total cpu time spent up to now is 70.0 secs Computing kpt #: 16 total cpu time spent up to now is 74.7 secs Computing kpt #: 17 total cpu time spent up to now is 79.3 secs Computing kpt #: 18 total cpu time spent up to now is 84.0 secs Computing kpt #: 19 total cpu time spent up to now is 88.7 secs Computing kpt #: 20 total cpu time spent up to now is 93.5 secs Computing kpt #: 21 total cpu time spent up to now is 98.3 secs Computing kpt #: 22 total cpu time spent up to now is 103.2 secs Computing kpt #: 23 total cpu time spent up to now is 108.2 secs Computing kpt #: 24 total cpu time spent up to now is 113.1 secs Computing kpt #: 25 total cpu time spent up to now is 118.2 secs Computing kpt #: 26 total cpu time spent up to now is 123.0 secs Computing kpt #: 27 total cpu time spent up to now is 128.0 secs Computing kpt #: 28 total cpu time spent up to now is 132.9 secs Computing kpt #: 29 total cpu time spent up to now is 137.8 secs Computing kpt #: 30 total cpu time spent up to now is 142.6 secs Computing kpt #: 31 total cpu time spent up to now is 147.3 secs Computing kpt #: 32 total cpu time spent up to now is 151.8 secs Computing kpt #: 33 total cpu time spent up to now is 156.4 secs Computing kpt #: 34 total cpu time spent up to now is 161.0 secs Computing kpt #: 35 total cpu time spent up to now is 165.8 secs Computing kpt #: 36 total cpu time spent up to now is 170.7 secs Computing kpt #: 37 total cpu time spent up to now is 175.5 secs Computing kpt #: 38 total cpu time spent up to now is 180.3 secs Computing kpt #: 39 total cpu time spent up to now is 185.2 secs Computing kpt #: 40 total cpu time spent up to now is 190.1 secs Computing kpt #: 41 total cpu time spent up to now is 195.6 secs Computing kpt #: 42 total cpu time spent up to now is 200.6 secs Computing kpt #: 43 total cpu time spent up to now is 205.5 secs Computing kpt #: 44 total cpu time spent up to now is 210.3 secs Computing kpt #: 45 total cpu time spent up to now is 215.1 secs Computing kpt #: 46 total cpu time spent up to now is 219.8 secs Computing kpt #: 47 total cpu time spent up to now is 224.4 secs Computing kpt #: 48 total cpu time spent up to now is 229.0 secs Computing kpt #: 49 total cpu time spent up to now is 233.6 secs Computing kpt #: 50 total cpu time spent up to now is 238.2 secs Computing kpt #: 51 total cpu time spent up to now is 242.8 secs Computing kpt #: 52 total cpu time spent up to now is 247.3 secs Computing kpt #: 53 total cpu time spent up to now is 251.8 secs Computing kpt #: 54 total cpu time spent up to now is 256.3 secs Computing kpt #: 55 total cpu time spent up to now is 261.0 secs Computing kpt #: 56 total cpu time spent up to now is 265.4 secs Computing kpt #: 57 total cpu time spent up to now is 270.0 secs Computing kpt #: 58 total cpu time spent up to now is 274.4 secs Computing kpt #: 59 total cpu time spent up to now is 278.8 secs Computing kpt #: 60 total cpu time spent up to now is 283.5 secs Computing kpt #: 61 total cpu time spent up to now is 288.0 secs Computing kpt #: 62 total cpu time spent up to now is 292.4 secs Computing kpt #: 63 total cpu time spent up to now is 296.9 secs Computing kpt #: 64 total cpu time spent up to now is 301.3 secs Computing kpt #: 65 total cpu time spent up to now is 305.8 secs Computing kpt #: 66 total cpu time spent up to now is 310.2 secs Computing kpt #: 67 total cpu time spent up to now is 314.6 secs Computing kpt #: 68 total cpu time spent up to now is 319.0 secs Computing kpt #: 69 total cpu time spent up to now is 323.3 secs Computing kpt #: 70 total cpu time spent up to now is 327.6 secs Computing kpt #: 71 total cpu time spent up to now is 331.9 secs Computing kpt #: 72 total cpu time spent up to now is 336.4 secs Computing kpt #: 73 total cpu time spent up to now is 340.7 secs Computing kpt #: 74 total cpu time spent up to now is 345.1 secs Computing kpt #: 75 total cpu time spent up to now is 349.6 secs Computing kpt #: 76 total cpu time spent up to now is 354.1 secs Computing kpt #: 77 total cpu time spent up to now is 358.5 secs Computing kpt #: 78 total cpu time spent up to now is 362.9 secs Computing kpt #: 79 total cpu time spent up to now is 367.4 secs Computing kpt #: 80 total cpu time spent up to now is 371.8 secs Computing kpt #: 81 total cpu time spent up to now is 465.5 secs Computing kpt #: 82 total cpu time spent up to now is 469.9 secs Computing kpt #: 83 total cpu time spent up to now is 474.2 secs Computing kpt #: 84 total cpu time spent up to now is 478.5 secs Computing kpt #: 85 total cpu time spent up to now is 482.2 secs Computing kpt #: 86 total cpu time spent up to now is 485.9 secs Computing kpt #: 87 total cpu time spent up to now is 489.5 secs Computing kpt #: 88 total cpu time spent up to now is 493.4 secs Computing kpt #: 89 total cpu time spent up to now is 497.0 secs Computing kpt #: 90 total cpu time spent up to now is 500.6 secs Computing kpt #: 91 total cpu time spent up to now is 504.2 secs Computing kpt #: 92 total cpu time spent up to now is 507.8 secs Computing kpt #: 93 total cpu time spent up to now is 511.4 secs Computing kpt #: 94 total cpu time spent up to now is 515.0 secs Computing kpt #: 95 total cpu time spent up to now is 518.6 secs Computing kpt #: 96 total cpu time spent up to now is 522.3 secs Computing kpt #: 97 total cpu time spent up to now is 525.9 secs Computing kpt #: 98 total cpu time spent up to now is 529.5 secs Computing kpt #: 99 total cpu time spent up to now is 533.2 secs Computing kpt #: 100 total cpu time spent up to now is 537.0 secs Computing kpt #: 101 total cpu time spent up to now is 540.7 secs Computing kpt #: 102 total cpu time spent up to now is 544.4 secs Computing kpt #: 103 total cpu time spent up to now is 548.2 secs Computing kpt #: 104 total cpu time spent up to now is 552.5 secs Computing kpt #: 105 total cpu time spent up to now is 556.8 secs Computing kpt #: 106 total cpu time spent up to now is 561.2 secs Computing kpt #: 107 total cpu time spent up to now is 565.6 secs Computing kpt #: 108 total cpu time spent up to now is 570.0 secs Computing kpt #: 109 total cpu time spent up to now is 574.5 secs Computing kpt #: 110 total cpu time spent up to now is 578.9 secs Computing kpt #: 111 total cpu time spent up to now is 583.2 secs Computing kpt #: 112 total cpu time spent up to now is 587.5 secs Computing kpt #: 113 total cpu time spent up to now is 591.8 secs Computing kpt #: 114 total cpu time spent up to now is 596.1 secs Computing kpt #: 115 total cpu time spent up to now is 600.5 secs Computing kpt #: 116 total cpu time spent up to now is 604.8 secs Computing kpt #: 117 total cpu time spent up to now is 609.1 secs Computing kpt #: 118 total cpu time spent up to now is 649.2 secs Computing kpt #: 119 total cpu time spent up to now is 653.7 secs Computing kpt #: 120 total cpu time spent up to now is 658.1 secs Computing kpt #: 121 total cpu time spent up to now is 662.7 secs Computing kpt #: 122 total cpu time spent up to now is 667.3 secs Computing kpt #: 123 total cpu time spent up to now is 671.9 secs Computing kpt #: 124 total cpu time spent up to now is 676.4 secs Computing kpt #: 125 total cpu time spent up to now is 680.9 secs Computing kpt #: 126 total cpu time spent up to now is 685.4 secs Computing kpt #: 127 total cpu time spent up to now is 689.9 secs Computing kpt #: 128 total cpu time spent up to now is 694.4 secs Computing kpt #: 129 total cpu time spent up to now is 698.8 secs Computing kpt #: 130 total cpu time spent up to now is 703.3 secs Computing kpt #: 131 total cpu time spent up to now is 707.8 secs Computing kpt #: 132 total cpu time spent up to now is 712.5 secs Computing kpt #: 133 total cpu time spent up to now is 717.1 secs Computing kpt #: 134 total cpu time spent up to now is 721.5 secs Computing kpt #: 135 total cpu time spent up to now is 726.0 secs Computing kpt #: 136 total cpu time spent up to now is 730.5 secs Computing kpt #: 137 total cpu time spent up to now is 734.8 secs Computing kpt #: 138 total cpu time spent up to now is 739.2 secs Computing kpt #: 139 total cpu time spent up to now is 743.5 secs Computing kpt #: 140 total cpu time spent up to now is 747.9 secs Computing kpt #: 141 total cpu time spent up to now is 751.6 secs Computing kpt #: 142 total cpu time spent up to now is 755.4 secs Computing kpt #: 143 total cpu time spent up to now is 759.2 secs Computing kpt #: 144 total cpu time spent up to now is 763.0 secs Computing kpt #: 145 total cpu time spent up to now is 766.6 secs Computing kpt #: 146 total cpu time spent up to now is 770.3 secs Computing kpt #: 147 total cpu time spent up to now is 774.0 secs Computing kpt #: 148 total cpu time spent up to now is 777.7 secs Computing kpt #: 149 total cpu time spent up to now is 781.4 secs Computing kpt #: 150 total cpu time spent up to now is 785.0 secs Computing kpt #: 151 total cpu time spent up to now is 788.5 secs Computing kpt #: 152 total cpu time spent up to now is 792.2 secs Computing kpt #: 153 total cpu time spent up to now is 796.0 secs Computing kpt #: 154 total cpu time spent up to now is 799.6 secs Computing kpt #: 155 total cpu time spent up to now is 803.9 secs Computing kpt #: 156 total cpu time spent up to now is 808.2 secs Computing kpt #: 157 total cpu time spent up to now is 812.6 secs Computing kpt #: 158 total cpu time spent up to now is 816.9 secs Computing kpt #: 159 total cpu time spent up to now is 821.2 secs Computing kpt #: 160 total cpu time spent up to now is 825.5 secs Computing kpt #: 161 total cpu time spent up to now is 829.9 secs Computing kpt #: 162 total cpu time spent up to now is 834.2 secs Computing kpt #: 163 total cpu time spent up to now is 838.0 secs Computing kpt #: 164 total cpu time spent up to now is 842.3 secs Computing kpt #: 165 total cpu time spent up to now is 846.7 secs Computing kpt #: 166 total cpu time spent up to now is 851.2 secs Computing kpt #: 167 total cpu time spent up to now is 855.6 secs Computing kpt #: 168 total cpu time spent up to now is 860.1 secs Computing kpt #: 169 total cpu time spent up to now is 864.6 secs Computing kpt #: 170 total cpu time spent up to now is 869.0 secs Computing kpt #: 171 total cpu time spent up to now is 873.5 secs Computing kpt #: 172 total cpu time spent up to now is 877.9 secs Computing kpt #: 173 total cpu time spent up to now is 882.8 secs Computing kpt #: 174 total cpu time spent up to now is 887.6 secs Computing kpt #: 175 total cpu time spent up to now is 893.1 secs Computing kpt #: 176 total cpu time spent up to now is 897.9 secs Computing kpt #: 177 total cpu time spent up to now is 902.9 secs Computing kpt #: 178 total cpu time spent up to now is 907.8 secs Computing kpt #: 179 total cpu time spent up to now is 912.6 secs Computing kpt #: 180 total cpu time spent up to now is 917.4 secs Computing kpt #: 181 total cpu time spent up to now is 922.1 secs Computing kpt #: 182 total cpu time spent up to now is 926.8 secs Computing kpt #: 183 total cpu time spent up to now is 931.4 secs Computing kpt #: 184 total cpu time spent up to now is 936.0 secs Computing kpt #: 185 total cpu time spent up to now is 940.6 secs Computing kpt #: 186 total cpu time spent up to now is 945.3 secs Computing kpt #: 187 total cpu time spent up to now is 950.0 secs Computing kpt #: 188 total cpu time spent up to now is 954.7 secs Computing kpt #: 189 total cpu time spent up to now is 959.3 secs Computing kpt #: 190 total cpu time spent up to now is 963.9 secs Computing kpt #: 191 total cpu time spent up to now is 968.5 secs Computing kpt #: 192 total cpu time spent up to now is 974.3 secs Computing kpt #: 193 total cpu time spent up to now is 979.0 secs Computing kpt #: 194 total cpu time spent up to now is 983.7 secs Computing kpt #: 195 total cpu time spent up to now is 988.5 secs Computing kpt #: 196 total cpu time spent up to now is 993.3 secs Computing kpt #: 197 total cpu time spent up to now is 998.1 secs Computing kpt #: 198 total cpu time spent up to now is 1002.7 secs Computing kpt #: 199 total cpu time spent up to now is 1007.4 secs Computing kpt #: 200 total cpu time spent up to now is 1011.9 secs Computing kpt #: 201 total cpu time spent up to now is 1016.5 secs Computing kpt #: 202 total cpu time spent up to now is 1021.1 secs ethr = 1.25E-08, avg # of iterations = 26.3 total cpu time spent up to now is 1021.1 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 33157 PWs) bands (ev): -72.0501 -72.0501 -72.0498 -72.0498 -39.0047 -39.0047 -39.0032 -39.0032 -38.7185 -38.7185 -38.7148 -38.7148 -38.7144 -38.7144 -38.7138 -38.7138 -16.1243 -16.1243 -16.1198 -16.1198 -8.5720 -8.5720 -8.0774 -8.0774 -7.9938 -7.9938 -7.9938 -7.9938 -7.7695 -7.7695 -7.7688 -7.7688 -4.9141 -4.9141 -4.8779 -4.8779 -3.5053 -3.5053 -3.4977 -3.4977 -3.4306 -3.4306 -3.4303 -3.4303 -0.6895 -0.6895 -0.1052 -0.1052 0.0662 0.0662 0.7278 0.7278 1.0689 1.0689 1.1529 1.1529 1.4807 1.4807 1.5645 1.5645 1.5962 1.5962 2.1452 2.1452 2.2675 2.2675 2.4769 2.4769 2.6134 2.6134 2.6378 2.6378 3.1908 3.1908 3.1925 3.1925 3.3124 3.3124 3.3526 3.3526 6.6898 6.6898 6.7150 6.7150 7.6461 7.6461 7.8138 7.8138 7.9685 7.9685 7.9880 7.9880 8.2452 8.2452 8.4482 8.4482 k = 0.0217 0.0126-0.0000 ( 33205 PWs) bands (ev): -72.0501 -72.0501 -72.0498 -72.0498 -39.0047 -39.0047 -39.0032 -39.0032 -38.7185 -38.7185 -38.7149 -38.7149 -38.7144 -38.7144 -38.7139 -38.7139 -16.1243 -16.1243 -16.1198 -16.1198 -8.5717 -8.5717 -8.0771 -8.0771 -7.9943 -7.9943 -7.9939 -7.9939 -7.7697 -7.7697 -7.7689 -7.7689 -4.9139 -4.9139 -4.8779 -4.8779 -3.5051 -3.5051 -3.4974 -3.4974 -3.4306 -3.4306 -3.4302 -3.4302 -0.6879 -0.6879 -0.1054 -0.1054 0.0677 0.0677 0.7277 0.7277 1.0683 1.0683 1.1533 1.1533 1.4801 1.4801 1.5648 1.5648 1.5963 1.5963 2.1437 2.1437 2.2678 2.2678 2.4769 2.4769 2.6116 2.6116 2.6357 2.6357 3.1864 3.1864 3.1932 3.1932 3.3094 3.3094 3.3510 3.3510 6.6907 6.6907 6.7206 6.7206 7.6498 7.6498 7.8182 7.8182 7.9725 7.9725 7.9921 7.9921 8.2496 8.2496 8.4483 8.4483 k = 0.0435 0.0251-0.0000 ( 33199 PWs) bands (ev): -72.0501 -72.0501 -72.0498 -72.0498 -39.0047 -39.0047 -39.0032 -39.0032 -38.7185 -38.7185 -38.7149 -38.7149 -38.7144 -38.7144 -38.7138 -38.7138 -16.1243 -16.1243 -16.1198 -16.1198 -8.5709 -8.5709 -8.0764 -8.0764 -7.9958 -7.9958 -7.9941 -7.9941 -7.7705 -7.7705 -7.7689 -7.7689 -4.9135 -4.9135 -4.8777 -4.8777 -3.5046 -3.5046 -3.4964 -3.4964 -3.4307 -3.4307 -3.4297 -3.4297 -0.6831 -0.6831 -0.1059 -0.1059 0.0722 0.0722 0.7274 0.7274 1.0663 1.0663 1.1543 1.1543 1.4784 1.4784 1.5657 1.5657 1.5967 1.5967 2.1390 2.1390 2.2688 2.2688 2.4767 2.4767 2.6064 2.6064 2.6292 2.6292 3.1772 3.1772 3.1912 3.1912 3.3005 3.3005 3.3463 3.3463 6.6933 6.6933 6.7372 6.7372 7.6606 7.6606 7.8314 7.8314 7.9836 7.9836 8.0055 8.0055 8.2627 8.2627 8.4482 8.4482 k = 0.0652 0.0377-0.0000 ( 33201 PWs) bands (ev): -72.0501 -72.0501 -72.0498 -72.0498 -39.0047 -39.0047 -39.0032 -39.0032 -38.7184 -38.7184 -38.7149 -38.7149 -38.7144 -38.7144 -38.7138 -38.7138 -16.1243 -16.1243 -16.1198 -16.1198 -8.5695 -8.5695 -8.0751 -8.0751 -7.9982 -7.9982 -7.9945 -7.9945 -7.7721 -7.7721 -7.7688 -7.7688 -4.9127 -4.9127 -4.8774 -4.8774 -3.5038 -3.5038 -3.4948 -3.4948 -3.4307 -3.4307 -3.4289 -3.4289 -0.6751 -0.6751 -0.1067 -0.1067 0.0797 0.0797 0.7269 0.7269 1.0633 1.0633 1.1558 1.1558 1.4756 1.4756 1.5671 1.5671 1.5975 1.5975 2.1313 2.1313 2.2702 2.2702 2.4763 2.4763 2.5977 2.5977 2.6187 2.6187 3.1636 3.1636 3.1858 3.1858 3.2868 3.2868 3.3387 3.3387 6.6976 6.6976 6.7645 6.7645 7.6784 7.6784 7.8527 7.8527 8.0000 8.0000 8.0299 8.0299 8.2843 8.2843 8.4472 8.4472 k = 0.0870 0.0502-0.0000 ( 33191 PWs) bands (ev): -72.0501 -72.0501 -72.0498 -72.0498 -39.0047 -39.0047 -39.0032 -39.0032 -38.7184 -38.7184 -38.7149 -38.7149 -38.7144 -38.7144 -38.7138 -38.7138 -16.1242 -16.1242 -16.1198 -16.1198 -8.5677 -8.5677 -8.0733 -8.0733 -8.0014 -8.0014 -7.9950 -7.9950 -7.7743 -7.7743 -7.7686 -7.7686 -4.9117 -4.9117 -4.8771 -4.8771 -3.5026 -3.5026 -3.4924 -3.4924 -3.4308 -3.4308 -3.4277 -3.4277 -0.6640 -0.6640 -0.1077 -0.1077 0.0899 0.0899 0.7262 0.7262 1.0593 1.0593 1.1577 1.1577 1.4717 1.4717 1.5689 1.5689 1.5990 1.5990 2.1207 2.1207 2.2719 2.2719 2.4753 2.4753 2.5852 2.5852 2.6046 2.6046 3.1459 3.1459 3.1759 3.1759 3.2704 3.2704 3.3286 3.3286 6.7036 6.7036 6.8018 6.8018 7.7027 7.7027 7.8812 7.8812 8.0219 8.0219 8.0657 8.0657 8.3141 8.3141 8.4452 8.4452 k = 0.1087 0.0628-0.0000 ( 33222 PWs) bands (ev): -72.0501 -72.0501 -72.0498 -72.0498 -39.0047 -39.0047 -39.0032 -39.0032 -38.7184 -38.7184 -38.7149 -38.7149 -38.7144 -38.7144 -38.7138 -38.7138 -16.1242 -16.1242 -16.1199 -16.1199 -8.5653 -8.5653 -8.0712 -8.0712 -8.0054 -8.0054 -7.9956 -7.9956 -7.7771 -7.7771 -7.7683 -7.7683 -4.9104 -4.9104 -4.8766 -4.8766 -3.5012 -3.5012 -3.4895 -3.4895 -3.4309 -3.4309 -3.4263 -3.4263 -0.6499 -0.6499 -0.1090 -0.1090 0.1027 0.1027 0.7254 0.7254 1.0545 1.0545 1.1598 1.1598 1.4668 1.4668 1.5711 1.5711 1.6017 1.6017 2.1071 2.1071 2.2737 2.2737 2.4733 2.4733 2.5683 2.5683 2.5882 2.5882 3.1243 3.1243 3.1601 3.1601 3.2539 3.2539 3.3164 3.3164 6.7110 6.7110 6.8481 6.8481 7.7329 7.7329 7.9158 7.9158 8.0504 8.0504 8.1122 8.1122 8.3516 8.3516 8.4423 8.4423 k = 0.1304 0.0753-0.0000 ( 33194 PWs) bands (ev): -72.0501 -72.0501 -72.0498 -72.0498 -39.0047 -39.0047 -39.0032 -39.0032 -38.7184 -38.7184 -38.7149 -38.7149 -38.7144 -38.7144 -38.7138 -38.7138 -16.1241 -16.1241 -16.1199 -16.1199 -8.5625 -8.5625 -8.0687 -8.0687 -8.0100 -8.0100 -7.9963 -7.9963 -7.7806 -7.7806 -7.7679 -7.7679 -4.9089 -4.9089 -4.8761 -4.8761 -3.4996 -3.4996 -3.4859 -3.4859 -3.4310 -3.4310 -3.4246 -3.4246 -0.6329 -0.6329 -0.1104 -0.1104 0.1181 0.1181 0.7244 0.7244 1.0492 1.0492 1.1620 1.1620 1.4609 1.4609 1.5733 1.5733 1.6061 1.6061 2.0907 2.0907 2.2754 2.2754 2.4691 2.4691 2.5461 2.5461 2.5715 2.5715 3.0994 3.0994 3.1368 3.1368 3.2398 3.2398 3.3028 3.3028 6.7199 6.7199 6.9025 6.9025 7.7681 7.7681 7.9549 7.9549 8.0868 8.0868 8.1686 8.1686 8.3961 8.3961 8.4387 8.4387 k = 0.1522 0.0879-0.0000 ( 33194 PWs) bands (ev): -72.0501 -72.0501 -72.0498 -72.0498 -39.0047 -39.0047 -39.0032 -39.0032 -38.7184 -38.7184 -38.7149 -38.7149 -38.7144 -38.7144 -38.7138 -38.7138 -16.1240 -16.1240 -16.1200 -16.1200 -8.5592 -8.5592 -8.0662 -8.0662 -8.0149 -8.0149 -7.9972 -7.9972 -7.7847 -7.7847 -7.7675 -7.7675 -4.9072 -4.9072 -4.8755 -4.8755 -3.4977 -3.4977 -3.4819 -3.4819 -3.4312 -3.4312 -3.4227 -3.4227 -0.6133 -0.6133 -0.1120 -0.1120 0.1356 0.1356 0.7234 0.7234 1.0435 1.0435 1.1641 1.1641 1.4541 1.4541 1.5756 1.5756 1.6124 1.6124 2.0715 2.0715 2.2767 2.2767 2.4611 2.4611 2.5192 2.5192 2.5561 2.5561 3.0718 3.0718 3.1067 3.1067 3.2289 3.2289 3.2883 3.2883 6.7299 6.7299 6.9637 6.9637 7.8073 7.8073 7.9973 7.9973 8.1318 8.1318 8.2343 8.2343 8.4345 8.4345 8.4468 8.4468 k = 0.1739 0.1004-0.0000 ( 33178 PWs) bands (ev): -72.0501 -72.0501 -72.0498 -72.0498 -39.0047 -39.0047 -39.0032 -39.0032 -38.7184 -38.7184 -38.7149 -38.7149 -38.7144 -38.7144 -38.7138 -38.7138 -16.1240 -16.1240 -16.1200 -16.1200 -8.5555 -8.5555 -8.0639 -8.0639 -8.0197 -8.0197 -7.9981 -7.9981 -7.7893 -7.7893 -7.7670 -7.7670 -4.9053 -4.9053 -4.8749 -4.8749 -3.4956 -3.4956 -3.4773 -3.4773 -3.4314 -3.4314 -3.4207 -3.4207 -0.5911 -0.5911 -0.1136 -0.1136 0.1551 0.1551 0.7223 0.7223 1.0376 1.0376 1.1660 1.1660 1.4466 1.4466 1.5780 1.5780 1.6206 1.6206 2.0496 2.0496 2.2774 2.2774 2.4459 2.4459 2.4904 2.4904 2.5431 2.5431 3.0420 3.0420 3.0715 3.0715 3.2207 3.2207 3.2734 3.2734 6.7409 6.7409 7.0307 7.0307 7.8496 7.8496 8.0422 8.0422 8.1854 8.1854 8.3086 8.3086 8.4302 8.4302 8.5010 8.5010 k = 0.1957 0.1130-0.0000 ( 33194 PWs) bands (ev): -72.0501 -72.0501 -72.0498 -72.0498 -39.0047 -39.0047 -39.0032 -39.0032 -38.7184 -38.7184 -38.7149 -38.7149 -38.7144 -38.7144 -38.7138 -38.7138 -16.1239 -16.1239 -16.1201 -16.1201 -8.5514 -8.5514 -8.0625 -8.0625 -8.0237 -8.0237 -7.9990 -7.9990 -7.7945 -7.7945 -7.7666 -7.7666 -4.9032 -4.9032 -4.8742 -4.8742 -3.4934 -3.4934 -3.4724 -3.4724 -3.4317 -3.4317 -3.4185 -3.4185 -0.5667 -0.5667 -0.1154 -0.1154 0.1761 0.1761 0.7212 0.7212 1.0318 1.0318 1.1677 1.1677 1.4385 1.4385 1.5808 1.5808 1.6307 1.6307 2.0249 2.0249 2.2771 2.2771 2.4197 2.4197 2.4631 2.4631 2.5333 2.5333 3.0106 3.0106 3.0335 3.0335 3.2142 3.2142 3.2587 3.2587 6.7526 6.7526 7.1022 7.1022 7.8938 7.8938 8.0889 8.0889 8.2472 8.2472 8.3899 8.3899 8.4265 8.4265 8.5245 8.5245 k = 0.2174 0.1255-0.0000 ( 33186 PWs) bands (ev): -72.0501 -72.0501 -72.0498 -72.0498 -39.0047 -39.0047 -39.0032 -39.0032 -38.7184 -38.7184 -38.7149 -38.7149 -38.7144 -38.7144 -38.7138 -38.7138 -16.1238 -16.1238 -16.1202 -16.1202 -8.5471 -8.5471 -8.0628 -8.0628 -8.0259 -8.0259 -8.0001 -8.0001 -7.8003 -7.8003 -7.7661 -7.7661 -4.9010 -4.9010 -4.8736 -4.8736 -3.4909 -3.4909 -3.4672 -3.4672 -3.4320 -3.4320 -3.4162 -3.4162 -0.5404 -0.5404 -0.1171 -0.1171 0.1985 0.1985 0.7204 0.7204 1.0262 1.0262 1.1691 1.1691 1.4300 1.4300 1.5843 1.5843 1.6423 1.6423 1.9979 1.9979 2.2750 2.2750 2.3839 2.3839 2.4377 2.4377 2.5267 2.5267 2.9778 2.9778 2.9945 2.9945 3.2088 3.2088 3.2446 3.2446 6.7649 6.7649 7.1771 7.1771 7.9393 7.9393 8.1368 8.1368 8.3161 8.3161 8.4191 8.4191 8.4818 8.4818 8.5454 8.5454 k = 0.2391 0.1381-0.0000 ( 33222 PWs) bands (ev): -72.0501 -72.0501 -72.0498 -72.0498 -39.0047 -39.0047 -39.0032 -39.0032 -38.7184 -38.7184 -38.7149 -38.7149 -38.7144 -38.7144 -38.7138 -38.7138 -16.1237 -16.1237 -16.1202 -16.1202 -8.5424 -8.5424 -8.0656 -8.0656 -8.0255 -8.0255 -8.0011 -8.0011 -7.8065 -7.8065 -7.7656 -7.7656 -4.8987 -4.8987 -4.8729 -4.8729 -3.4884 -3.4884 -3.4617 -3.4617 -3.4325 -3.4325 -3.4139 -3.4139 -0.5124 -0.5124 -0.1189 -0.1189 0.2216 0.2216 0.7198 0.7198 1.0212 1.0212 1.1704 1.1704 1.4213 1.4213 1.5887 1.5887 1.6552 1.6552 1.9690 1.9690 2.2691 2.2691 2.3446 2.3446 2.4117 2.4117 2.5225 2.5225 2.9438 2.9438 2.9566 2.9566 3.2042 3.2042 3.2315 3.2315 6.7775 6.7775 7.2542 7.2542 7.9853 7.9853 8.1848 8.1848 8.3907 8.3907 8.4150 8.4150 8.5615 8.5615 8.5855 8.5855 k = 0.2609 0.1506-0.0000 ( 33204 PWs) bands (ev): -72.0501 -72.0501 -72.0498 -72.0498 -39.0047 -39.0047 -39.0032 -39.0032 -38.7184 -38.7184 -38.7149 -38.7149 -38.7144 -38.7144 -38.7138 -38.7138 -16.1236 -16.1236 -16.1203 -16.1203 -8.5376 -8.5376 -8.0705 -8.0705 -8.0228 -8.0228 -8.0021 -8.0021 -7.8132 -7.8132 -7.7651 -7.7651 -4.8963 -4.8963 -4.8723 -4.8723 -3.4857 -3.4857 -3.4561 -3.4561 -3.4330 -3.4330 -3.4117 -3.4117 -0.4833 -0.4833 -0.1207 -0.1207 0.2450 0.2450 0.7196 0.7196 1.0169 1.0169 1.1713 1.1713 1.4124 1.4124 1.5941 1.5941 1.6689 1.6689 1.9388 1.9388 2.2525 2.2525 2.3114 2.3114 2.3841 2.3841 2.5195 2.5195 2.9087 2.9087 2.9213 2.9213 3.2003 3.2003 3.2197 3.2197 6.7901 6.7901 7.3325 7.3325 8.0316 8.0316 8.2311 8.2311 8.4091 8.4091 8.4716 8.4716 8.5932 8.5932 8.6838 8.6838 k = 0.2826 0.1632-0.0000 ( 33216 PWs) bands (ev): -72.0501 -72.0501 -72.0498 -72.0498 -39.0047 -39.0047 -39.0032 -39.0032 -38.7184 -38.7184 -38.7149 -38.7149 -38.7144 -38.7144 -38.7138 -38.7138 -16.1235 -16.1235 -16.1204 -16.1204 -8.5327 -8.5327 -8.0768 -8.0768 -8.0183 -8.0183 -8.0031 -8.0031 -7.8203 -7.8203 -7.7646 -7.7646 -4.8940 -4.8940 -4.8717 -4.8717 -3.4830 -3.4830 -3.4505 -3.4505 -3.4336 -3.4336 -3.4095 -3.4095 -0.4534 -0.4534 -0.1225 -0.1225 0.2681 0.2681 0.7200 0.7200 1.0136 1.0136 1.1721 1.1721 1.4036 1.4036 1.6004 1.6004 1.6828 1.6828 1.9083 1.9083 2.2176 2.2176 2.2935 2.2935 2.3550 2.3550 2.5171 2.5171 2.8737 2.8737 2.8887 2.8887 3.1968 3.1968 3.2091 3.2091 6.8025 6.8025 7.4110 7.4110 8.0782 8.0782 8.2741 8.2741 8.4044 8.4044 8.5535 8.5535 8.6261 8.6261 8.7852 8.7852 k = 0.3043 0.1757-0.0000 ( 33222 PWs) bands (ev): -72.0501 -72.0501 -72.0498 -72.0498 -39.0047 -39.0047 -39.0032 -39.0032 -38.7184 -38.7184 -38.7149 -38.7149 -38.7144 -38.7144 -38.7138 -38.7138 -16.1234 -16.1234 -16.1205 -16.1205 -8.5277 -8.5277 -8.0838 -8.0838 -8.0127 -8.0127 -8.0041 -8.0041 -7.8277 -7.8277 -7.7641 -7.7641 -4.8916 -4.8916 -4.8712 -4.8712 -3.4802 -3.4802 -3.4450 -3.4450 -3.4343 -3.4343 -3.4074 -3.4074 -0.4232 -0.4232 -0.1242 -0.1242 0.2904 0.2904 0.7211 0.7211 1.0116 1.0116 1.1726 1.1726 1.3951 1.3951 1.6071 1.6071 1.6959 1.6960 1.8791 1.8791 2.1725 2.1725 2.2843 2.2843 2.3249 2.3249 2.5148 2.5148 2.8404 2.8404 2.8587 2.8587 3.1938 3.1938 3.2000 3.2000 6.8145 6.8145 7.4888 7.4888 8.1247 8.1247 8.3121 8.3121 8.3998 8.3998 8.6276 8.6276 8.6706 8.6706 8.8334 8.8334 k = 0.3261 0.1883-0.0000 ( 33232 PWs) bands (ev): -72.0501 -72.0501 -72.0498 -72.0498 -39.0047 -39.0047 -39.0032 -39.0032 -38.7184 -38.7184 -38.7149 -38.7149 -38.7144 -38.7144 -38.7138 -38.7138 -16.1233 -16.1233 -16.1206 -16.1206 -8.5229 -8.5229 -8.0910 -8.0910 -8.0064 -8.0064 -8.0051 -8.0051 -7.8353 -7.8353 -7.7637 -7.7637 -4.8893 -4.8893 -4.8708 -4.8708 -3.4774 -3.4774 -3.4396 -3.4396 -3.4350 -3.4350 -3.4056 -3.4056 -0.3934 -0.3934 -0.1258 -0.1258 0.3113 0.3113 0.7230 0.7230 1.0112 1.0112 1.1728 1.1728 1.3872 1.3872 1.6138 1.6138 1.7070 1.7070 1.8532 1.8532 2.1252 2.1252 2.2769 2.2769 2.2945 2.2945 2.5122 2.5122 2.8097 2.8097 2.8314 2.8314 3.1909 3.1909 3.1924 3.1924 6.8258 6.8258 7.5650 7.5650 8.1710 8.1710 8.3440 8.3440 8.3958 8.3958 8.6778 8.6778 8.7335 8.7335 8.8752 8.8752 k = 0.3478 0.2008-0.0000 ( 33226 PWs) bands (ev): -72.0501 -72.0501 -72.0498 -72.0498 -39.0047 -39.0047 -39.0032 -39.0032 -38.7184 -38.7184 -38.7149 -38.7149 -38.7144 -38.7144 -38.7138 -38.7138 -16.1231 -16.1231 -16.1207 -16.1207 -8.5182 -8.5182 -8.0981 -8.0981 -8.0059 -8.0059 -7.9997 -7.9997 -7.8430 -7.8430 -7.7632 -7.7632 -4.8871 -4.8871 -4.8705 -4.8705 -3.4746 -3.4746 -3.4364 -3.4364 -3.4339 -3.4339 -3.4040 -3.4040 -0.3646 -0.3646 -0.1273 -0.1273 0.3302 0.3302 0.7258 0.7258 1.0124 1.0124 1.1723 1.1723 1.3802 1.3802 1.6194 1.6194 1.7140 1.7140 1.8332 1.8332 2.0796 2.0796 2.2621 2.2621 2.2715 2.2715 2.5092 2.5092 2.7821 2.7821 2.8073 2.8073 3.1853 3.1853 3.1891 3.1891 6.8362 6.8362 7.6386 7.6386 8.2162 8.2162 8.3683 8.3683 8.3936 8.3936 8.7189 8.7189 8.7789 8.7789 8.9335 8.9335 k = 0.3696 0.2134-0.0000 ( 33208 PWs) bands (ev): -72.0501 -72.0501 -72.0498 -72.0498 -39.0047 -39.0047 -39.0032 -39.0032 -38.7184 -38.7184 -38.7149 -38.7149 -38.7144 -38.7144 -38.7138 -38.7138 -16.1230 -16.1230 -16.1208 -16.1208 -8.5138 -8.5138 -8.1047 -8.1047 -8.0067 -8.0067 -7.9928 -7.9928 -7.8508 -7.8508 -7.7629 -7.7629 -4.8850 -4.8850 -4.8703 -4.8703 -3.4720 -3.4720 -3.4372 -3.4372 -3.4293 -3.4293 -3.4027 -3.4027 -0.3375 -0.3375 -0.1286 -0.1286 0.3467 0.3467 0.7292 0.7292 1.0155 1.0155 1.1710 1.1710 1.3746 1.3746 1.6230 1.6230 1.7152 1.7152 1.8212 1.8212 2.0383 2.0383 2.2336 2.2336 2.2625 2.2625 2.5056 2.5056 2.7580 2.7580 2.7864 2.7864 3.1798 3.1798 3.1871 3.1871 6.8455 6.8455 7.7088 7.7088 8.2593 8.2593 8.3795 8.3795 8.3994 8.3994 8.7586 8.7586 8.7897 8.7897 9.0171 9.0171 k = 0.3913 0.2259-0.0000 ( 33208 PWs) bands (ev): -72.0501 -72.0501 -72.0498 -72.0498 -39.0047 -39.0047 -39.0032 -39.0032 -38.7184 -38.7184 -38.7149 -38.7149 -38.7144 -38.7144 -38.7138 -38.7138 -16.1229 -16.1229 -16.1209 -16.1209 -8.5098 -8.5098 -8.1107 -8.1107 -8.0074 -8.0074 -7.9859 -7.9859 -7.8584 -7.8584 -7.7626 -7.7626 -4.8831 -4.8831 -4.8702 -4.8702 -3.4695 -3.4695 -3.4382 -3.4382 -3.4249 -3.4249 -3.4017 -3.4017 -0.3127 -0.3127 -0.1298 -0.1298 0.3605 0.3605 0.7331 0.7331 1.0204 1.0204 1.1683 1.1683 1.3707 1.3707 1.6238 1.6238 1.7106 1.7106 1.8170 1.8170 2.0033 2.0033 2.2065 2.2065 2.2534 2.2534 2.5017 2.5017 2.7378 2.7378 2.7690 2.7690 3.1753 3.1753 3.1856 3.1856 6.8537 6.8537 7.7744 7.7744 8.2979 8.2979 8.3792 8.3792 8.4136 8.4136 8.7739 8.7739 8.8020 8.8020 9.1126 9.1126 k = 0.4130 0.2385-0.0000 ( 33204 PWs) bands (ev): -72.0501 -72.0501 -72.0498 -72.0498 -39.0047 -39.0047 -39.0032 -39.0032 -38.7184 -38.7184 -38.7149 -38.7149 -38.7144 -38.7144 -38.7138 -38.7138 -16.1228 -16.1228 -16.1209 -16.1209 -8.5063 -8.5063 -8.1160 -8.1160 -8.0080 -8.0080 -7.9793 -7.9793 -7.8655 -7.8655 -7.7623 -7.7623 -4.8814 -4.8814 -4.8702 -4.8702 -3.4672 -3.4672 -3.4392 -3.4392 -3.4209 -3.4209 -3.4011 -3.4011 -0.2911 -0.2911 -0.1308 -0.1308 0.3715 0.3715 0.7372 0.7372 1.0269 1.0269 1.1640 1.1640 1.3690 1.3690 1.6225 1.6225 1.7011 1.7011 1.8182 1.8182 1.9765 1.9765 2.1827 2.1827 2.2438 2.2438 2.4977 2.4977 2.7216 2.7216 2.7550 2.7550 3.1718 3.1718 3.1843 3.1843 6.8606 6.8606 7.8340 7.8340 8.3276 8.3276 8.3772 8.3772 8.4307 8.4307 8.7510 8.7510 8.8396 8.8396 9.2092 9.2092 k = 0.4348 0.2510-0.0000 ( 33206 PWs) bands (ev): -72.0501 -72.0501 -72.0498 -72.0498 -39.0047 -39.0047 -39.0032 -39.0032 -38.7184 -38.7184 -38.7149 -38.7149 -38.7144 -38.7144 -38.7138 -38.7138 -16.1227 -16.1227 -16.1210 -16.1210 -8.5035 -8.5035 -8.1202 -8.1202 -8.0085 -8.0085 -7.9733 -7.9733 -7.8719 -7.8719 -7.7621 -7.7621 -4.8799 -4.8799 -4.8704 -4.8704 -3.4652 -3.4652 -3.4402 -3.4402 -3.4176 -3.4176 -3.4007 -3.4007 -0.2734 -0.2734 -0.1316 -0.1316 0.3798 0.3798 0.7409 0.7409 1.0345 1.0345 1.1582 1.1582 1.3691 1.3691 1.6212 1.6212 1.6875 1.6875 1.8225 1.8225 1.9576 1.9576 2.1636 2.1636 2.2343 2.2343 2.4939 2.4939 2.7092 2.7092 2.7443 2.7443 3.1692 3.1692 3.1834 3.1834 6.8660 6.8660 7.8856 7.8856 8.3439 8.3439 8.3756 8.3756 8.4533 8.4533 8.7219 8.7219 8.8744 8.8744 9.2993 9.2993 k = 0.4565 0.2636-0.0000 ( 33212 PWs) bands (ev): -72.0501 -72.0501 -72.0498 -72.0498 -39.0047 -39.0047 -39.0032 -39.0032 -38.7184 -38.7184 -38.7149 -38.7149 -38.7144 -38.7144 -38.7138 -38.7138 -16.1227 -16.1227 -16.1211 -16.1211 -8.5014 -8.5014 -8.1233 -8.1233 -8.0088 -8.0088 -7.9684 -7.9684 -7.8771 -7.8771 -7.7619 -7.7619 -4.8787 -4.8787 -4.8706 -4.8706 -3.4636 -3.4636 -3.4411 -3.4411 -3.4150 -3.4150 -3.4007 -3.4007 -0.2603 -0.2603 -0.1322 -0.1322 0.3855 0.3855 0.7439 0.7439 1.0420 1.0420 1.1519 1.1519 1.3704 1.3704 1.6225 1.6225 1.6711 1.6711 1.8283 1.8283 1.9451 1.9451 2.1501 2.1501 2.2258 2.2258 2.4908 2.4908 2.7007 2.7007 2.7367 2.7367 3.1673 3.1673 3.1828 3.1828 6.8699 6.8699 7.9264 7.9264 8.3480 8.3480 8.3749 8.3749 8.4801 8.4801 8.6923 8.6923 8.9029 8.9029 9.3747 9.3747 k = 0.4783 0.2761-0.0000 ( 33196 PWs) bands (ev): -72.0501 -72.0501 -72.0498 -72.0498 -39.0047 -39.0047 -39.0032 -39.0032 -38.7184 -38.7184 -38.7149 -38.7149 -38.7144 -38.7144 -38.7138 -38.7138 -16.1226 -16.1226 -16.1211 -16.1211 -8.5001 -8.5001 -8.1252 -8.1252 -8.0090 -8.0090 -7.9652 -7.9652 -7.8806 -7.8806 -7.7618 -7.7618 -4.8780 -4.8780 -4.8707 -4.8707 -3.4626 -3.4626 -3.4417 -3.4417 -3.4133 -3.4133 -3.4007 -3.4007 -0.2521 -0.2521 -0.1326 -0.1326 0.3888 0.3888 0.7459 0.7459 1.0478 1.0478 1.1467 1.1467 1.3718 1.3718 1.6280 1.6280 1.6541 1.6541 1.8336 1.8336 1.9376 1.9376 2.1422 2.1422 2.2199 2.2199 2.4887 2.4887 2.6957 2.6957 2.7322 2.7322 3.1662 3.1662 3.1824 3.1824 6.8723 6.8723 7.9531 7.9531 8.3468 8.3468 8.3746 8.3746 8.5040 8.5040 8.6678 8.6678 8.9218 8.9218 9.4257 9.4257 k = 0.5000 0.2887-0.0000 ( 33212 PWs) bands (ev): -72.0501 -72.0501 -72.0498 -72.0498 -39.0047 -39.0047 -39.0032 -39.0032 -38.7184 -38.7184 -38.7149 -38.7149 -38.7144 -38.7144 -38.7138 -38.7138 -16.1226 -16.1226 -16.1211 -16.1211 -8.4997 -8.4997 -8.1259 -8.1259 -8.0091 -8.0091 -7.9640 -7.9640 -7.8818 -7.8818 -7.7618 -7.7618 -4.8777 -4.8777 -4.8708 -4.8708 -3.4622 -3.4622 -3.4419 -3.4419 -3.4127 -3.4127 -3.4008 -3.4008 -0.2494 -0.2494 -0.1327 -0.1327 0.3899 0.3899 0.7466 0.7466 1.0500 1.0500 1.1447 1.1447 1.3724 1.3724 1.6362 1.6362 1.6417 1.6417 1.8358 1.8358 1.9350 1.9350 2.1397 2.1397 2.2178 2.2178 2.4880 2.4880 2.6941 2.6941 2.7307 2.7307 3.1658 3.1658 3.1823 3.1823 6.8731 6.8731 7.9624 7.9624 8.3457 8.3457 8.3745 8.3745 8.5142 8.5142 8.6575 8.6575 8.9285 8.9285 9.4439 9.4439 k = 0.5000 0.2887-0.0000 ( 33212 PWs) bands (ev): -72.0501 -72.0501 -72.0498 -72.0498 -39.0047 -39.0047 -39.0032 -39.0032 -38.7184 -38.7184 -38.7149 -38.7149 -38.7144 -38.7144 -38.7138 -38.7138 -16.1226 -16.1226 -16.1211 -16.1211 -8.4997 -8.4997 -8.1259 -8.1259 -8.0091 -8.0091 -7.9640 -7.9640 -7.8818 -7.8818 -7.7618 -7.7618 -4.8777 -4.8777 -4.8708 -4.8708 -3.4622 -3.4622 -3.4419 -3.4419 -3.4127 -3.4127 -3.4008 -3.4008 -0.2494 -0.2494 -0.1327 -0.1327 0.3899 0.3899 0.7466 0.7466 1.0500 1.0500 1.1447 1.1447 1.3724 1.3724 1.6362 1.6362 1.6417 1.6417 1.8358 1.8358 1.9350 1.9350 2.1397 2.1397 2.2178 2.2178 2.4880 2.4880 2.6941 2.6941 2.7307 2.7307 3.1658 3.1658 3.1823 3.1823 6.8731 6.8731 7.9624 7.9624 8.3457 8.3457 8.3745 8.3745 8.5142 8.5142 8.6575 8.6575 8.9285 8.9285 9.4439 9.4439 k = 0.4872 0.3109-0.0000 ( 33198 PWs) bands (ev): -72.0501 -72.0501 -72.0498 -72.0498 -39.0047 -39.0047 -39.0032 -39.0032 -38.7184 -38.7184 -38.7149 -38.7149 -38.7144 -38.7144 -38.7138 -38.7138 -16.1226 -16.1226 -16.1211 -16.1211 -8.4995 -8.4995 -8.1256 -8.1256 -8.0101 -8.0101 -7.9640 -7.9640 -7.8809 -7.8809 -7.7622 -7.7622 -4.8776 -4.8776 -4.8708 -4.8708 -3.4621 -3.4621 -3.4418 -3.4418 -3.4126 -3.4126 -3.4008 -3.4008 -0.2483 -0.2483 -0.1327 -0.1327 0.3914 0.3914 0.7458 0.7458 1.0495 1.0495 1.1448 1.1448 1.3713 1.3713 1.6321 1.6321 1.6391 1.6391 1.8391 1.8391 1.9393 1.9393 2.1402 2.1402 2.2183 2.2183 2.4872 2.4872 2.6925 2.6925 2.7316 2.7316 3.1629 3.1629 3.1807 3.1807 6.8725 6.8725 7.9676 7.9676 8.3505 8.3505 8.3787 8.3787 8.5182 8.5182 8.6633 8.6633 8.9286 8.9286 9.4390 9.4390 k = 0.4744 0.3331-0.0000 ( 33228 PWs) bands (ev): -72.0501 -72.0501 -72.0498 -72.0498 -39.0047 -39.0047 -39.0032 -39.0032 -38.7184 -38.7184 -38.7149 -38.7149 -38.7144 -38.7144 -38.7138 -38.7138 -16.1226 -16.1226 -16.1211 -16.1211 -8.4991 -8.4991 -8.1248 -8.1248 -8.0133 -8.0133 -7.9639 -7.9639 -7.8782 -7.8782 -7.7633 -7.7633 -4.8775 -4.8775 -4.8707 -4.8707 -3.4616 -3.4616 -3.4417 -3.4417 -3.4124 -3.4124 -3.4009 -3.4009 -0.2450 -0.2450 -0.1329 -0.1329 0.3961 0.3961 0.7433 0.7433 1.0480 1.0480 1.1452 1.1452 1.3678 1.3678 1.6211 1.6211 1.6315 1.6315 1.8483 1.8483 1.9511 1.9511 2.1418 2.1418 2.2197 2.2197 2.4848 2.4848 2.6881 2.6881 2.7340 2.7340 3.1544 3.1544 3.1760 3.1760 6.8708 6.8708 7.9828 7.9828 8.3649 8.3649 8.3915 8.3915 8.5299 8.5299 8.6806 8.6806 8.9288 8.9288 9.4262 9.4262 k = 0.4615 0.3553-0.0000 ( 33226 PWs) bands (ev): -72.0501 -72.0501 -72.0498 -72.0498 -39.0047 -39.0047 -39.0032 -39.0032 -38.7184 -38.7184 -38.7149 -38.7149 -38.7144 -38.7144 -38.7138 -38.7138 -16.1226 -16.1226 -16.1212 -16.1212 -8.4984 -8.4984 -8.1235 -8.1235 -8.0182 -8.0182 -7.9639 -7.9639 -7.8740 -7.8740 -7.7651 -7.7651 -4.8773 -4.8773 -4.8706 -4.8706 -3.4610 -3.4610 -3.4415 -3.4415 -3.4122 -3.4122 -3.4010 -3.4010 -0.2397 -0.2397 -0.1332 -0.1332 0.4036 0.4036 0.7393 0.7393 1.0457 1.0457 1.1460 1.1460 1.3622 1.3622 1.6050 1.6050 1.6200 1.6200 1.8623 1.8623 1.9684 1.9684 2.1448 2.1448 2.2222 2.2222 2.4809 2.4809 2.6815 2.6815 2.7370 2.7370 3.1408 3.1408 3.1686 3.1686 6.8683 6.8683 8.0078 8.0078 8.3886 8.3886 8.4126 8.4126 8.5492 8.5492 8.7092 8.7092 8.9293 8.9293 9.4093 9.4093 k = 0.4487 0.3775-0.0000 ( 33244 PWs) bands (ev): -72.0501 -72.0501 -72.0498 -72.0498 -39.0047 -39.0047 -39.0032 -39.0032 -38.7184 -38.7184 -38.7149 -38.7149 -38.7144 -38.7144 -38.7138 -38.7138 -16.1225 -16.1225 -16.1212 -16.1212 -8.4974 -8.4974 -8.1217 -8.1217 -8.0245 -8.0245 -7.9638 -7.9638 -7.8687 -7.8687 -7.7677 -7.7677 -4.8769 -4.8769 -4.8705 -4.8705 -3.4600 -3.4600 -3.4412 -3.4412 -3.4118 -3.4118 -3.4011 -3.4011 -0.2326 -0.2326 -0.1336 -0.1336 0.4140 0.4140 0.7335 0.7335 1.0428 1.0428 1.1473 1.1473 1.3543 1.3543 1.5857 1.5857 1.6063 1.6063 1.8793 1.8793 1.9887 1.9887 2.1498 2.1498 2.2255 2.2255 2.4753 2.4753 2.6731 2.6731 2.7401 2.7401 3.1228 3.1228 3.1591 3.1591 6.8649 6.8649 8.0415 8.0415 8.4209 8.4209 8.4416 8.4416 8.5753 8.5753 8.7485 8.7485 8.9297 8.9297 9.3915 9.3915 k = 0.4359 0.3997-0.0000 ( 33268 PWs) bands (ev): -72.0501 -72.0501 -72.0498 -72.0498 -39.0047 -39.0047 -39.0033 -39.0033 -38.7184 -38.7184 -38.7149 -38.7149 -38.7144 -38.7144 -38.7138 -38.7138 -16.1225 -16.1225 -16.1212 -16.1212 -8.4962 -8.4962 -8.1194 -8.1194 -8.0317 -8.0317 -7.9637 -7.9637 -7.8627 -7.8627 -7.7709 -7.7709 -4.8765 -4.8765 -4.8704 -4.8704 -3.4588 -3.4588 -3.4410 -3.4410 -3.4114 -3.4114 -3.4013 -3.4013 -0.2239 -0.2239 -0.1340 -0.1340 0.4268 0.4268 0.7262 0.7262 1.0397 1.0397 1.1491 1.1491 1.3444 1.3444 1.5648 1.5648 1.5917 1.5917 1.8979 1.8979 2.0098 2.0098 2.1575 2.1575 2.2295 2.2295 2.4681 2.4681 2.6629 2.6629 2.7426 2.7426 3.1015 3.1015 3.1482 3.1482 6.8611 6.8611 8.0828 8.0828 8.4611 8.4611 8.4781 8.4781 8.6073 8.6073 8.7978 8.7978 8.9301 8.9301 9.3733 9.3733 k = 0.4231 0.4219-0.0000 ( 33258 PWs) bands (ev): -72.0501 -72.0501 -72.0498 -72.0498 -39.0047 -39.0047 -39.0033 -39.0033 -38.7184 -38.7184 -38.7149 -38.7149 -38.7144 -38.7144 -38.7138 -38.7138 -16.1224 -16.1224 -16.1213 -16.1213 -8.4949 -8.4949 -8.1167 -8.1167 -8.0395 -8.0395 -7.9635 -7.9635 -7.8562 -7.8562 -7.7747 -7.7747 -4.8761 -4.8761 -4.8703 -4.8703 -3.4575 -3.4575 -3.4409 -3.4409 -3.4108 -3.4108 -3.4015 -3.4015 -0.2141 -0.2141 -0.1345 -0.1345 0.4418 0.4418 0.7172 0.7172 1.0366 1.0366 1.1516 1.1516 1.3325 1.3325 1.5436 1.5436 1.5771 1.5771 1.9171 1.9171 2.0295 2.0295 2.1688 2.1688 2.2343 2.2343 2.4594 2.4594 2.6506 2.6506 2.7445 2.7445 3.0782 3.0782 3.1367 3.1367 6.8571 6.8571 8.1304 8.1304 8.5083 8.5083 8.5215 8.5215 8.6439 8.6439 8.8560 8.8560 8.9302 8.9302 9.3408 9.3408 k = 0.4103 0.4441-0.0000 ( 33276 PWs) bands (ev): -72.0501 -72.0501 -72.0498 -72.0498 -39.0047 -39.0047 -39.0033 -39.0033 -38.7184 -38.7184 -38.7149 -38.7149 -38.7144 -38.7144 -38.7138 -38.7138 -16.1224 -16.1224 -16.1213 -16.1213 -8.4935 -8.4935 -8.1135 -8.1135 -8.0475 -8.0475 -7.9634 -7.9634 -7.8494 -7.8494 -7.7791 -7.7791 -4.8755 -4.8755 -4.8702 -4.8702 -3.4560 -3.4560 -3.4408 -3.4408 -3.4102 -3.4102 -3.4017 -3.4017 -0.2036 -0.2036 -0.1350 -0.1350 0.4585 0.4585 0.7067 0.7067 1.0340 1.0340 1.1552 1.1552 1.3188 1.3188 1.5232 1.5232 1.5630 1.5630 1.9358 1.9358 2.0466 2.0466 2.1838 2.1838 2.2398 2.2398 2.4495 2.4495 2.6361 2.6361 2.7456 2.7456 3.0545 3.0545 3.1255 3.1255 6.8532 6.8532 8.1825 8.1825 8.5612 8.5612 8.5711 8.5711 8.6834 8.6834 8.9208 8.9208 8.9309 8.9309 9.2769 9.2769 k = 0.3974 0.4663-0.0000 ( 33284 PWs) bands (ev): -72.0501 -72.0501 -72.0498 -72.0498 -39.0047 -39.0047 -39.0033 -39.0033 -38.7184 -38.7184 -38.7149 -38.7149 -38.7145 -38.7145 -38.7138 -38.7138 -16.1223 -16.1223 -16.1214 -16.1214 -8.4920 -8.4920 -8.1100 -8.1100 -8.0556 -8.0556 -7.9631 -7.9631 -7.8427 -7.8427 -7.7840 -7.7840 -4.8750 -4.8750 -4.8701 -4.8701 -3.4543 -3.4543 -3.4409 -3.4409 -3.4094 -3.4094 -3.4019 -3.4019 -0.1929 -0.1929 -0.1355 -0.1355 0.4763 0.4763 0.6950 0.6950 1.0320 1.0320 1.1598 1.1598 1.3036 1.3036 1.5046 1.5046 1.5499 1.5499 1.9535 1.9535 2.0601 2.0601 2.2020 2.2020 2.2460 2.2460 2.4386 2.4386 2.6193 2.6193 2.7459 2.7459 3.0321 3.0321 3.1153 3.1153 6.8495 6.8495 8.2370 8.2370 8.6184 8.6184 8.6260 8.6260 8.7234 8.7234 8.9283 8.9283 8.9937 8.9937 9.2035 9.2035 k = 0.3846 0.4885-0.0000 ( 33294 PWs) bands (ev): -72.0501 -72.0501 -72.0498 -72.0498 -39.0047 -39.0047 -39.0033 -39.0033 -38.7184 -38.7184 -38.7149 -38.7149 -38.7145 -38.7145 -38.7138 -38.7138 -16.1222 -16.1222 -16.1215 -16.1215 -8.4907 -8.4907 -8.1062 -8.1062 -8.0634 -8.0634 -7.9629 -7.9629 -7.8360 -7.8360 -7.7892 -7.7892 -4.8744 -4.8744 -4.8701 -4.8701 -3.4526 -3.4526 -3.4413 -3.4413 -3.4086 -3.4086 -3.4022 -3.4022 -0.1826 -0.1826 -0.1359 -0.1359 0.4945 0.4945 0.6825 0.6825 1.0309 1.0309 1.1657 1.1657 1.2874 1.2874 1.4883 1.4883 1.5382 1.5382 1.9696 1.9696 2.0701 2.0701 2.2211 2.2211 2.2537 2.2537 2.4273 2.4273 2.6003 2.6003 2.7454 2.7454 3.0124 3.0124 3.1066 3.1066 6.8464 6.8464 8.2914 8.2914 8.6779 8.6779 8.6853 8.6853 8.7612 8.7612 8.9261 8.9261 9.0671 9.0671 9.1290 9.1290 k = 0.3718 0.5107-0.0000 ( 33294 PWs) bands (ev): -72.0501 -72.0501 -72.0498 -72.0498 -39.0047 -39.0047 -39.0033 -39.0033 -38.7184 -38.7184 -38.7149 -38.7149 -38.7145 -38.7145 -38.7138 -38.7138 -16.1221 -16.1221 -16.1216 -16.1216 -8.4894 -8.4894 -8.1021 -8.1021 -8.0708 -8.0708 -7.9626 -7.9626 -7.8295 -7.8295 -7.7947 -7.7947 -4.8738 -4.8738 -4.8701 -4.8701 -3.4509 -3.4509 -3.4419 -3.4419 -3.4078 -3.4078 -3.4024 -3.4024 -0.1735 -0.1735 -0.1363 -0.1363 0.5120 0.5120 0.6698 0.6698 1.0307 1.0307 1.1729 1.1729 1.2709 1.2709 1.4749 1.4749 1.5282 1.5282 1.9836 1.9836 2.0768 2.0768 2.2372 2.2372 2.2643 2.2643 2.4166 2.4166 2.5805 2.5805 2.7444 2.7444 2.9965 2.9965 3.0997 3.0997 6.8439 6.8439 8.3428 8.3428 8.7374 8.7374 8.7467 8.7467 8.7946 8.7946 8.9226 8.9226 9.0552 9.0552 9.1385 9.1385 k = 0.3590 0.5329-0.0000 ( 33262 PWs) bands (ev): -72.0501 -72.0501 -72.0498 -72.0498 -39.0047 -39.0047 -39.0033 -39.0033 -38.7184 -38.7184 -38.7149 -38.7149 -38.7145 -38.7145 -38.7138 -38.7138 -16.1220 -16.1220 -16.1217 -16.1217 -8.4885 -8.4885 -8.0978 -8.0978 -8.0775 -8.0775 -7.9624 -7.9624 -7.8232 -7.8232 -7.8004 -7.8004 -4.8733 -4.8733 -4.8702 -4.8702 -3.4491 -3.4491 -3.4427 -3.4427 -3.4070 -3.4070 -3.4027 -3.4027 -0.1661 -0.1661 -0.1367 -0.1367 0.5274 0.5274 0.6582 0.6582 1.0311 1.0311 1.1808 1.1808 1.2554 1.2554 1.4648 1.4648 1.5203 1.5203 1.9950 1.9950 2.0804 2.0804 2.2473 2.2473 2.2780 2.2780 2.4072 2.4072 2.5619 2.5619 2.7431 2.7431 2.9853 2.9853 3.0949 3.0949 6.8422 6.8422 8.3873 8.3873 8.7942 8.7942 8.8027 8.8027 8.8251 8.8251 8.9173 8.9173 8.9878 8.9878 9.1917 9.1917 k = 0.3462 0.5551-0.0000 ( 33244 PWs) bands (ev): -72.0501 -72.0501 -72.0498 -72.0498 -39.0047 -39.0047 -39.0033 -39.0033 -38.7184 -38.7184 -38.7149 -38.7149 -38.7145 -38.7145 -38.7138 -38.7138 -16.1220 -16.1220 -16.1217 -16.1217 -8.4878 -8.4878 -8.0934 -8.0934 -8.0834 -8.0834 -7.9622 -7.9622 -7.8173 -7.8173 -7.8061 -7.8061 -4.8729 -4.8729 -4.8703 -4.8703 -3.4475 -3.4475 -3.4438 -3.4438 -3.4064 -3.4064 -3.4030 -3.4030 -0.1613 -0.1613 -0.1369 -0.1369 0.5385 0.5385 0.6496 0.6496 1.0318 1.0318 1.1881 1.1881 1.2433 1.2433 1.4585 1.4585 1.5150 1.5150 2.0031 2.0031 2.0815 2.0815 2.2527 2.2527 2.2896 2.2896 2.4005 2.4005 2.5481 2.5481 2.7421 2.7421 2.9787 2.9787 3.0921 3.0921 6.8413 6.8413 8.4192 8.4192 8.8289 8.8289 8.8440 8.8440 8.8676 8.8676 8.9100 8.9100 8.9314 8.9314 9.1768 9.1768 k = 0.3333 0.5774-0.0000 ( 33264 PWs) bands (ev): -72.0501 -72.0501 -72.0498 -72.0498 -39.0047 -39.0047 -39.0033 -39.0033 -38.7184 -38.7184 -38.7149 -38.7149 -38.7145 -38.7145 -38.7138 -38.7138 -16.1218 -16.1218 -16.1218 -16.1218 -8.4876 -8.4876 -8.0900 -8.0900 -8.0873 -8.0873 -7.9621 -7.9621 -7.8118 -7.8118 -7.8115 -7.8115 -4.8727 -4.8727 -4.8704 -4.8704 -3.4465 -3.4465 -3.4446 -3.4446 -3.4061 -3.4061 -3.4032 -3.4032 -0.1595 -0.1595 -0.1369 -0.1369 0.5426 0.5426 0.6463 0.6463 1.0321 1.0321 1.1913 1.1913 1.2383 1.2383 1.4563 1.4563 1.5131 1.5131 2.0062 2.0062 2.0815 2.0815 2.2546 2.2546 2.2940 2.2940 2.3979 2.3979 2.5429 2.5429 2.7416 2.7416 2.9766 2.9766 3.0912 3.0912 6.8409 6.8409 8.4315 8.4315 8.8353 8.8353 8.8757 8.8757 8.8822 8.8822 8.9055 8.9055 8.9060 8.9060 9.1575 9.1575 k = 0.3333 0.5774-0.0000 ( 33264 PWs) bands (ev): -72.0501 -72.0501 -72.0498 -72.0498 -39.0047 -39.0047 -39.0033 -39.0033 -38.7184 -38.7184 -38.7149 -38.7149 -38.7145 -38.7145 -38.7138 -38.7138 -16.1218 -16.1218 -16.1218 -16.1218 -8.4876 -8.4876 -8.0900 -8.0900 -8.0873 -8.0873 -7.9621 -7.9621 -7.8118 -7.8118 -7.8115 -7.8115 -4.8727 -4.8727 -4.8704 -4.8704 -3.4465 -3.4465 -3.4446 -3.4446 -3.4061 -3.4061 -3.4032 -3.4032 -0.1595 -0.1595 -0.1369 -0.1369 0.5426 0.5426 0.6463 0.6463 1.0321 1.0321 1.1913 1.1913 1.2383 1.2383 1.4563 1.4563 1.5131 1.5131 2.0062 2.0062 2.0815 2.0815 2.2546 2.2546 2.2940 2.2940 2.3979 2.3979 2.5429 2.5429 2.7416 2.7416 2.9766 2.9766 3.0912 3.0912 6.8409 6.8409 8.4315 8.4315 8.8353 8.8353 8.8757 8.8757 8.8822 8.8822 8.9055 8.9055 8.9060 8.9060 9.1575 9.1575 k = 0.3205 0.5551-0.0000 ( 33260 PWs) bands (ev): -72.0501 -72.0501 -72.0498 -72.0498 -39.0047 -39.0047 -39.0033 -39.0033 -38.7184 -38.7184 -38.7149 -38.7149 -38.7145 -38.7145 -38.7138 -38.7138 -16.1220 -16.1220 -16.1217 -16.1217 -8.4878 -8.4878 -8.0929 -8.0929 -8.0839 -8.0839 -7.9622 -7.9622 -7.8169 -7.8169 -7.8064 -7.8064 -4.8729 -4.8729 -4.8703 -4.8703 -3.4476 -3.4476 -3.4437 -3.4437 -3.4065 -3.4065 -3.4030 -3.4030 -0.1614 -0.1614 -0.1369 -0.1369 0.5386 0.5386 0.6494 0.6494 1.0316 1.0316 1.1885 1.1885 1.2429 1.2429 1.4585 1.4585 1.5154 1.5154 2.0026 2.0026 2.0821 2.0821 2.2518 2.2518 2.2908 2.2908 2.4005 2.4005 2.5483 2.5483 2.7422 2.7422 2.9785 2.9785 3.0921 3.0921 6.8412 6.8412 8.4179 8.4179 8.8291 8.8291 8.8620 8.8620 8.8781 8.8781 8.8949 8.8949 8.9150 8.9150 9.1791 9.1791 k = 0.3077 0.5329-0.0000 ( 33260 PWs) bands (ev): -72.0501 -72.0501 -72.0498 -72.0498 -39.0047 -39.0047 -39.0033 -39.0033 -38.7184 -38.7184 -38.7149 -38.7149 -38.7145 -38.7145 -38.7138 -38.7138 -16.1221 -16.1221 -16.1216 -16.1216 -8.4886 -8.4886 -8.0957 -8.0957 -8.0794 -8.0794 -7.9626 -7.9626 -7.8217 -7.8217 -7.8015 -7.8015 -4.8735 -4.8735 -4.8701 -4.8701 -3.4495 -3.4495 -3.4424 -3.4424 -3.4075 -3.4075 -3.4025 -3.4025 -0.1673 -0.1673 -0.1366 -0.1366 0.5279 0.5279 0.6570 0.6570 1.0296 1.0296 1.1831 1.1831 1.2535 1.2535 1.4647 1.4647 1.5232 1.5232 1.9917 1.9917 2.0836 2.0836 2.2419 2.2419 2.2865 2.2865 2.4073 2.4073 2.5632 2.5632 2.7440 2.7440 2.9839 2.9839 3.0944 3.0944 6.8418 6.8418 8.3784 8.3784 8.8117 8.8117 8.8450 8.8450 8.8613 8.8613 8.8755 8.8755 8.9158 8.9158 9.2141 9.2141 k = 0.2949 0.5107-0.0000 ( 33268 PWs) bands (ev): -72.0501 -72.0501 -72.0498 -72.0498 -39.0047 -39.0047 -39.0033 -39.0033 -38.7184 -38.7184 -38.7149 -38.7149 -38.7145 -38.7145 -38.7138 -38.7138 -16.1222 -16.1222 -16.1215 -16.1215 -8.4901 -8.4901 -8.0975 -8.0975 -8.0750 -8.0750 -7.9634 -7.9634 -7.8258 -7.8258 -7.7970 -7.7970 -4.8744 -4.8744 -4.8698 -4.8698 -3.4518 -3.4518 -3.4410 -3.4410 -3.4091 -3.4091 -3.4021 -3.4021 -0.1774 -0.1774 -0.1362 -0.1362 0.5130 0.5130 0.6666 0.6666 1.0260 1.0260 1.1785 1.1785 1.2664 1.2664 1.4741 1.4741 1.5376 1.5376 1.9751 1.9751 2.0841 2.0841 2.2272 2.2272 2.2850 2.2850 2.4166 2.4166 2.5850 2.5850 2.7473 2.7473 2.9921 2.9921 3.0979 3.0980 6.8426 6.8426 8.3192 8.3192 8.7826 8.7826 8.7980 8.7980 8.8530 8.8531 8.8704 8.8704 8.9030 8.9030 9.1930 9.1930 k = 0.2821 0.4885-0.0000 ( 33270 PWs) bands (ev): -72.0501 -72.0501 -72.0498 -72.0498 -39.0047 -39.0047 -39.0033 -39.0033 -38.7184 -38.7184 -38.7149 -38.7149 -38.7144 -38.7144 -38.7138 -38.7138 -16.1223 -16.1223 -16.1214 -16.1214 -8.4921 -8.4921 -8.0980 -8.0980 -8.0708 -8.0708 -7.9647 -7.9647 -7.8290 -7.8290 -7.7928 -7.7928 -4.8755 -4.8755 -4.8696 -4.8696 -3.4543 -3.4543 -3.4397 -3.4397 -3.4111 -3.4111 -3.4017 -3.4017 -0.1916 -0.1916 -0.1356 -0.1356 0.4954 0.4954 0.6762 0.6762 1.0212 1.0212 1.1755 1.1755 1.2801 1.2801 1.4862 1.4862 1.5591 1.5591 1.9549 1.9549 2.0801 2.0801 2.2153 2.2153 2.2857 2.2857 2.4273 2.4273 2.6113 2.6113 2.7523 2.7523 3.0028 3.0028 3.1026 3.1026 6.8431 6.8431 8.2474 8.2474 8.7385 8.7385 8.7519 8.7519 8.8317 8.8317 8.8492 8.8492 8.9064 8.9064 9.1499 9.1499 k = 0.2692 0.4663-0.0000 ( 33268 PWs) bands (ev): -72.0501 -72.0501 -72.0498 -72.0498 -39.0047 -39.0047 -39.0033 -39.0033 -38.7184 -38.7184 -38.7149 -38.7149 -38.7145 -38.7145 -38.7138 -38.7138 -16.1224 -16.1224 -16.1213 -16.1213 -8.4947 -8.4947 -8.0974 -8.0974 -8.0668 -8.0668 -7.9665 -7.9665 -7.8312 -7.8312 -7.7890 -7.7890 -4.8768 -4.8768 -4.8694 -4.8694 -3.4570 -3.4570 -3.4386 -3.4386 -3.4136 -3.4136 -3.4016 -3.4016 -0.2098 -0.2098 -0.1348 -0.1348 0.4760 0.4760 0.6848 0.6848 1.0159 1.0159 1.1739 1.1739 1.2940 1.2940 1.5008 1.5008 1.5863 1.5863 1.9332 1.9332 2.0700 2.0700 2.2120 2.2120 2.2873 2.2873 2.4386 2.4386 2.6404 2.6404 2.7591 2.7591 3.0155 3.0155 3.1082 3.1082 6.8433 6.8433 8.1679 8.1679 8.6890 8.6890 8.7027 8.7027 8.8028 8.8028 8.8081 8.8081 8.9232 8.9232 9.0941 9.0941 k = 0.2564 0.4441-0.0000 ( 33268 PWs) bands (ev): -72.0501 -72.0501 -72.0498 -72.0498 -39.0047 -39.0047 -39.0033 -39.0033 -38.7184 -38.7184 -38.7149 -38.7149 -38.7144 -38.7144 -38.7138 -38.7138 -16.1226 -16.1226 -16.1212 -16.1212 -8.4979 -8.4979 -8.0956 -8.0956 -8.0630 -8.0630 -7.9689 -7.9689 -7.8323 -7.8323 -7.7856 -7.7856 -4.8784 -4.8784 -4.8693 -4.8693 -3.4598 -3.4598 -3.4375 -3.4375 -3.4167 -3.4167 -3.4016 -3.4016 -0.2317 -0.2317 -0.1338 -0.1338 0.4553 0.4553 0.6922 0.6922 1.0108 1.0108 1.1730 1.1730 1.3078 1.3078 1.5179 1.5179 1.6167 1.6167 1.9116 1.9116 2.0567 2.0567 2.2176 2.2176 2.2894 2.2894 2.4498 2.4498 2.6711 2.6711 2.7679 2.7679 3.0300 3.0300 3.1145 3.1145 6.8426 6.8426 8.0836 8.0836 8.6414 8.6414 8.6466 8.6466 8.7475 8.7475 8.7817 8.7817 8.9378 8.9378 9.0301 9.0301 k = 0.2436 0.4219-0.0000 ( 33266 PWs) bands (ev): -72.0501 -72.0501 -72.0498 -72.0498 -39.0047 -39.0047 -39.0032 -39.0032 -38.7184 -38.7184 -38.7149 -38.7149 -38.7144 -38.7144 -38.7138 -38.7138 -16.1227 -16.1227 -16.1211 -16.1211 -8.5017 -8.5017 -8.0927 -8.0927 -8.0597 -8.0597 -7.9719 -7.9719 -7.8323 -7.8323 -7.7825 -7.7825 -4.8801 -4.8801 -4.8693 -4.8693 -3.4628 -3.4628 -3.4366 -3.4366 -3.4202 -3.4202 -3.4020 -3.4020 -0.2567 -0.2567 -0.1327 -0.1327 0.4333 0.4333 0.6981 0.6981 1.0064 1.0064 1.1726 1.1726 1.3212 1.3212 1.5372 1.5372 1.6469 1.6469 1.8915 1.8915 2.0458 2.0458 2.2298 2.2298 2.2917 2.2917 2.4606 2.4606 2.7027 2.7027 2.7787 2.7787 3.0461 3.0461 3.1215 3.1215 6.8410 6.8410 7.9963 7.9963 8.5831 8.5831 8.5993 8.5993 8.6870 8.6870 8.7542 8.7542 8.9410 8.9410 8.9667 8.9667 k = 0.2308 0.3997-0.0000 ( 33262 PWs) bands (ev): -72.0501 -72.0501 -72.0498 -72.0498 -39.0047 -39.0047 -39.0032 -39.0032 -38.7184 -38.7184 -38.7149 -38.7149 -38.7144 -38.7144 -38.7139 -38.7139 -16.1228 -16.1228 -16.1209 -16.1209 -8.5059 -8.5059 -8.0889 -8.0889 -8.0567 -8.0567 -7.9753 -7.9753 -7.8311 -7.8311 -7.7798 -7.7798 -4.8820 -4.8820 -4.8694 -4.8694 -3.4658 -3.4658 -3.4357 -3.4357 -3.4241 -3.4241 -3.4026 -3.4026 -0.2843 -0.2843 -0.1314 -0.1314 0.4101 0.4101 0.7027 0.7027 1.0033 1.0033 1.1723 1.1723 1.3343 1.3343 1.5574 1.5574 1.6730 1.6730 1.8747 1.8747 2.0431 2.0431 2.2460 2.2460 2.2943 2.2943 2.4705 2.4705 2.7348 2.7348 2.7918 2.7918 3.0633 3.0633 3.1289 3.1289 6.8381 6.8381 7.9072 7.9072 8.5163 8.5163 8.5611 8.5611 8.6239 8.6239 8.7256 8.7256 8.8841 8.8841 8.9535 8.9535 k = 0.2179 0.3775-0.0000 ( 33268 PWs) bands (ev): -72.0501 -72.0501 -72.0498 -72.0498 -39.0047 -39.0047 -39.0032 -39.0032 -38.7184 -38.7184 -38.7149 -38.7149 -38.7144 -38.7144 -38.7139 -38.7139 -16.1229 -16.1229 -16.1208 -16.1208 -8.5105 -8.5105 -8.0841 -8.0841 -8.0542 -8.0542 -7.9791 -7.9791 -7.8290 -7.8290 -7.7774 -7.7774 -4.8840 -4.8840 -4.8697 -4.8697 -3.4690 -3.4690 -3.4350 -3.4350 -3.4285 -3.4285 -3.4035 -3.4035 -0.3140 -0.3140 -0.1300 -0.1300 0.3858 0.3858 0.7062 0.7062 1.0016 1.0016 1.1722 1.1722 1.3468 1.3468 1.5765 1.5765 1.6915 1.6915 1.8629 1.8629 2.0528 2.0528 2.2646 2.2646 2.2975 2.2975 2.4795 2.4795 2.7672 2.7672 2.8072 2.8072 3.0816 3.0816 3.1368 3.1368 6.8337 6.8337 7.8170 7.8170 8.4467 8.4467 8.5278 8.5278 8.5603 8.5603 8.6961 8.6961 8.8116 8.8116 8.9472 8.9472 k = 0.2051 0.3553-0.0000 ( 33264 PWs) bands (ev): -72.0501 -72.0501 -72.0498 -72.0498 -39.0047 -39.0047 -39.0032 -39.0032 -38.7184 -38.7184 -38.7149 -38.7149 -38.7144 -38.7144 -38.7139 -38.7139 -16.1231 -16.1231 -16.1207 -16.1207 -8.5154 -8.5154 -8.0786 -8.0786 -8.0522 -8.0522 -7.9829 -7.9829 -7.8259 -7.8259 -7.7753 -7.7753 -4.8862 -4.8862 -4.8700 -4.8700 -3.4721 -3.4721 -3.4344 -3.4344 -3.4332 -3.4332 -3.4047 -3.4047 -0.3452 -0.3452 -0.1285 -0.1285 0.3607 0.3607 0.7090 0.7090 1.0013 1.0013 1.1720 1.1720 1.3588 1.3588 1.5919 1.5919 1.7004 1.7004 1.8589 1.8589 2.0760 2.0760 2.2827 2.2827 2.3033 2.3033 2.4875 2.4875 2.7997 2.7997 2.8250 2.8250 3.1007 3.1007 3.1451 3.1451 6.8278 6.8278 7.7263 7.7263 8.3759 8.3759 8.4912 8.4912 8.5056 8.5056 8.6649 8.6649 8.7396 8.7396 8.9342 8.9342 k = 0.1923 0.3331-0.0000 ( 33252 PWs) bands (ev): -72.0501 -72.0501 -72.0498 -72.0498 -39.0047 -39.0047 -39.0032 -39.0032 -38.7184 -38.7184 -38.7149 -38.7149 -38.7144 -38.7144 -38.7139 -38.7139 -16.1232 -16.1232 -16.1206 -16.1206 -8.5205 -8.5205 -8.0725 -8.0725 -8.0510 -8.0510 -7.9866 -7.9866 -7.8222 -7.8222 -7.7735 -7.7735 -4.8885 -4.8885 -4.8704 -4.8704 -3.4753 -3.4753 -3.4385 -3.4385 -3.4337 -3.4337 -3.4061 -3.4061 -0.3773 -0.3773 -0.1268 -0.1268 0.3348 0.3348 0.7112 0.7112 1.0025 1.0025 1.1719 1.1719 1.3704 1.3704 1.6018 1.6018 1.6998 1.6998 1.8651 1.8651 2.1105 2.1105 2.2941 2.2941 2.3175 2.3175 2.4945 2.4945 2.8324 2.8324 2.8454 2.8454 3.1202 3.1202 3.1537 3.1537 6.8204 6.8204 7.6356 7.6356 8.3049 8.3049 8.4311 8.4311 8.4806 8.4806 8.6269 8.6269 8.6751 8.6751 8.9136 8.9136 k = 0.1795 0.3109-0.0000 ( 33264 PWs) bands (ev): -72.0501 -72.0501 -72.0498 -72.0498 -39.0047 -39.0047 -39.0032 -39.0032 -38.7184 -38.7184 -38.7149 -38.7149 -38.7144 -38.7144 -38.7139 -38.7139 -16.1233 -16.1233 -16.1205 -16.1205 -8.5257 -8.5257 -8.0658 -8.0658 -8.0505 -8.0505 -7.9900 -7.9900 -7.8179 -7.8179 -7.7720 -7.7720 -4.8908 -4.8908 -4.8709 -4.8709 -3.4785 -3.4785 -3.4438 -3.4438 -3.4332 -3.4332 -3.4078 -3.4078 -0.4098 -0.4098 -0.1251 -0.1251 0.3085 0.3085 0.7130 0.7130 1.0050 1.0050 1.1717 1.1717 1.3818 1.3818 1.6059 1.6059 1.6921 1.6921 1.8813 1.8813 2.1523 2.1523 2.2999 2.2999 2.3390 2.3390 2.5005 2.5005 2.8641 2.8641 2.8695 2.8695 3.1398 3.1398 3.1630 3.1630 6.8116 6.8116 7.5454 7.5454 8.2348 8.2348 8.3701 8.3701 8.4631 8.4631 8.5697 8.5697 8.6313 8.6313 8.8823 8.8823 k = 0.1667 0.2887-0.0000 ( 33248 PWs) bands (ev): -72.0501 -72.0501 -72.0498 -72.0498 -39.0047 -39.0047 -39.0032 -39.0032 -38.7184 -38.7184 -38.7149 -38.7149 -38.7144 -38.7144 -38.7138 -38.7138 -16.1234 -16.1234 -16.1204 -16.1204 -8.5310 -8.5310 -8.0588 -8.0588 -8.0508 -8.0508 -7.9928 -7.9928 -7.8132 -7.8132 -7.7708 -7.7708 -4.8933 -4.8933 -4.8714 -4.8714 -3.4815 -3.4815 -3.4494 -3.4494 -3.4327 -3.4327 -3.4097 -3.4097 -0.4421 -0.4421 -0.1232 -0.1232 0.2820 0.2820 0.7146 0.7146 1.0085 1.0085 1.1714 1.1714 1.3930 1.3930 1.6053 1.6053 1.6802 1.6802 1.9051 1.9051 2.1964 2.1964 2.3063 2.3063 2.3628 2.3628 2.5059 2.5059 2.8914 2.8914 2.9007 2.9007 3.1583 3.1583 3.1738 3.1738 6.8015 6.8015 7.4562 7.4562 8.1662 8.1662 8.3110 8.3110 8.4501 8.4501 8.5011 8.5011 8.6016 8.6016 8.8277 8.8277 k = 0.1538 0.2665-0.0000 ( 33246 PWs) bands (ev): -72.0501 -72.0501 -72.0498 -72.0498 -39.0047 -39.0047 -39.0032 -39.0032 -38.7184 -38.7184 -38.7149 -38.7149 -38.7144 -38.7144 -38.7138 -38.7138 -16.1236 -16.1236 -16.1203 -16.1203 -8.5361 -8.5361 -8.0523 -8.0523 -8.0512 -8.0512 -7.9949 -7.9949 -7.8083 -7.8083 -7.7698 -7.7698 -4.8957 -4.8957 -4.8720 -4.8720 -3.4846 -3.4846 -3.4550 -3.4550 -3.4323 -3.4323 -3.4117 -3.4117 -0.4739 -0.4739 -0.1214 -0.1214 0.2557 0.2557 0.7161 0.7161 1.0130 1.0130 1.1709 1.1709 1.4039 1.4039 1.6019 1.6019 1.6666 1.6666 1.9331 1.9331 2.2358 2.2358 2.3185 2.3185 2.3871 2.3871 2.5108 2.5108 2.9187 2.9187 2.9348 2.9348 3.1727 3.1727 3.1887 3.1887 6.7904 6.7904 7.3684 7.3684 8.0998 8.0998 8.2542 8.2542 8.4281 8.4281 8.4440 8.4440 8.5765 8.5765 8.7386 8.7386 k = 0.1410 0.2443-0.0000 ( 33230 PWs) bands (ev): -72.0501 -72.0501 -72.0498 -72.0498 -39.0047 -39.0047 -39.0032 -39.0032 -38.7184 -38.7184 -38.7149 -38.7149 -38.7144 -38.7144 -38.7138 -38.7138 -16.1237 -16.1237 -16.1203 -16.1203 -8.5412 -8.5412 -8.0539 -8.0539 -8.0442 -8.0442 -7.9962 -7.9962 -7.8032 -7.8032 -7.7691 -7.7691 -4.8981 -4.8981 -4.8727 -4.8727 -3.4874 -3.4874 -3.4606 -3.4606 -3.4320 -3.4320 -3.4139 -3.4139 -0.5046 -0.5046 -0.1195 -0.1195 0.2299 0.2299 0.7176 0.7176 1.0182 1.0182 1.1702 1.1702 1.4146 1.4146 1.5971 1.5971 1.6530 1.6530 1.9628 1.9628 2.2612 2.2612 2.3436 2.3436 2.4113 2.4113 2.5158 2.5158 2.9474 2.9474 2.9697 2.9697 3.1834 3.1834 3.2074 3.2074 6.7786 6.7786 7.2826 7.2826 8.0361 8.0361 8.1999 8.1999 8.3609 8.3609 8.4370 8.4370 8.5531 8.5531 8.6351 8.6351 k = 0.1282 0.2221-0.0000 ( 33228 PWs) bands (ev): -72.0501 -72.0501 -72.0498 -72.0498 -39.0047 -39.0047 -39.0032 -39.0032 -38.7184 -38.7184 -38.7149 -38.7149 -38.7144 -38.7144 -38.7138 -38.7138 -16.1238 -16.1238 -16.1202 -16.1202 -8.5460 -8.5460 -8.0564 -8.0564 -8.0370 -8.0370 -7.9970 -7.9970 -7.7982 -7.7982 -7.7686 -7.7686 -4.9005 -4.9005 -4.8734 -4.8734 -3.4902 -3.4902 -3.4662 -3.4662 -3.4317 -3.4317 -3.4161 -3.4161 -0.5339 -0.5339 -0.1176 -0.1176 0.2049 0.2049 0.7190 0.7190 1.0240 1.0240 1.1692 1.1692 1.4249 1.4249 1.5919 1.5919 1.6403 1.6403 1.9921 1.9921 2.2722 2.2722 2.3797 2.3797 2.4349 2.4349 2.5217 2.5217 2.9773 2.9773 3.0053 3.0053 3.1928 3.1928 3.2270 3.2270 6.7665 6.7665 7.1995 7.1995 7.9756 7.9756 8.1480 8.1480 8.2951 8.2951 8.4342 8.4342 8.5159 8.5159 8.5482 8.5482 k = 0.1154 0.1999-0.0000 ( 33238 PWs) bands (ev): -72.0501 -72.0501 -72.0498 -72.0498 -39.0047 -39.0047 -39.0032 -39.0032 -38.7184 -38.7184 -38.7149 -38.7149 -38.7144 -38.7144 -38.7138 -38.7138 -16.1239 -16.1239 -16.1201 -16.1201 -8.5506 -8.5506 -8.0592 -8.0592 -8.0300 -8.0300 -7.9972 -7.9972 -7.7934 -7.7934 -7.7683 -7.7683 -4.9028 -4.9028 -4.8741 -4.8741 -3.4928 -3.4928 -3.4715 -3.4715 -3.4315 -3.4315 -3.4183 -3.4183 -0.5615 -0.5615 -0.1158 -0.1158 0.1812 0.1812 0.7204 0.7204 1.0300 1.0300 1.1679 1.1679 1.4347 1.4347 1.5869 1.5869 1.6290 1.6290 2.0199 2.0199 2.2761 2.2761 2.4164 2.4164 2.4584 2.4584 2.5294 2.5294 3.0078 3.0078 3.0410 3.0410 3.2021 3.2021 3.2465 3.2465 6.7543 6.7543 7.1199 7.1199 7.9189 7.9189 8.0983 8.0983 8.2333 8.2333 8.4244 8.4244 8.4350 8.4350 8.5220 8.5220 k = 0.1026 0.1776-0.0000 ( 33218 PWs) bands (ev): -72.0501 -72.0501 -72.0498 -72.0498 -39.0047 -39.0047 -39.0032 -39.0032 -38.7184 -38.7184 -38.7149 -38.7149 -38.7144 -38.7144 -38.7138 -38.7138 -16.1240 -16.1240 -16.1200 -16.1200 -8.5548 -8.5548 -8.0623 -8.0623 -8.0232 -8.0232 -7.9970 -7.9970 -7.7888 -7.7888 -7.7682 -7.7682 -4.9049 -4.9049 -4.8748 -4.8748 -3.4952 -3.4952 -3.4766 -3.4766 -3.4313 -3.4313 -3.4205 -3.4205 -0.5869 -0.5869 -0.1140 -0.1140 0.1590 0.1590 0.7218 0.7218 1.0363 1.0363 1.1662 1.1662 1.4438 1.4438 1.5824 1.5824 1.6194 1.6194 2.0455 2.0455 2.2772 2.2772 2.4443 2.4443 2.4847 2.4847 2.5399 2.5399 3.0382 3.0382 3.0760 3.0760 3.2118 3.2118 3.2653 3.2653 6.7425 6.7425 7.0445 7.0445 7.8662 7.8662 8.0505 8.0505 8.1771 8.1771 8.3353 8.3353 8.4350 8.4350 8.5053 8.5053 k = 0.0897 0.1554-0.0000 ( 33206 PWs) bands (ev): -72.0501 -72.0501 -72.0498 -72.0498 -39.0047 -39.0047 -39.0032 -39.0032 -38.7184 -38.7184 -38.7149 -38.7149 -38.7144 -38.7144 -38.7138 -38.7138 -16.1240 -16.1240 -16.1200 -16.1200 -8.5587 -8.5587 -8.0653 -8.0653 -8.0169 -8.0169 -7.9966 -7.9966 -7.7845 -7.7845 -7.7682 -7.7682 -4.9069 -4.9069 -4.8754 -4.8754 -3.4974 -3.4974 -3.4812 -3.4812 -3.4311 -3.4311 -3.4225 -3.4225 -0.6100 -0.6100 -0.1122 -0.1122 0.1386 0.1386 0.7231 0.7231 1.0424 1.0424 1.1643 1.1643 1.4522 1.4522 1.5784 1.5784 1.6117 1.6117 2.0684 2.0684 2.2768 2.2768 2.4603 2.4603 2.5144 2.5144 2.5535 2.5535 3.0678 3.0678 3.1087 3.1087 3.2227 3.2227 3.2831 3.2831 6.7313 6.7313 6.9743 6.9743 7.8181 7.8181 8.0044 8.0044 8.1275 8.1275 8.2536 8.2536 8.4370 8.4370 8.4565 8.4565 k = 0.0769 0.1332-0.0000 ( 33194 PWs) bands (ev): -72.0501 -72.0501 -72.0498 -72.0498 -39.0047 -39.0047 -39.0032 -39.0032 -38.7184 -38.7184 -38.7149 -38.7149 -38.7144 -38.7144 -38.7138 -38.7138 -16.1241 -16.1241 -16.1199 -16.1199 -8.5621 -8.5621 -8.0683 -8.0683 -8.0112 -8.0112 -7.9961 -7.9961 -7.7806 -7.7806 -7.7683 -7.7683 -4.9087 -4.9087 -4.8760 -4.8760 -3.4993 -3.4993 -3.4855 -3.4855 -3.4310 -3.4310 -3.4245 -3.4245 -0.6305 -0.6305 -0.1106 -0.1106 0.1203 0.1203 0.7242 0.7242 1.0484 1.0484 1.1622 1.1622 1.4596 1.4596 1.5749 1.5749 1.6058 1.6058 2.0884 2.0884 2.2756 2.2756 2.4687 2.4687 2.5426 2.5426 2.5693 2.5693 3.0959 3.0959 3.1372 3.1372 3.2355 3.2355 3.2997 3.2997 6.7210 6.7210 6.9104 6.9104 7.7749 7.7749 7.9606 7.9606 8.0854 8.0854 8.1817 8.1817 8.4029 8.4029 8.4399 8.4399 k = 0.0641 0.1110-0.0000 ( 33188 PWs) bands (ev): -72.0501 -72.0501 -72.0498 -72.0498 -39.0047 -39.0047 -39.0032 -39.0032 -38.7184 -38.7184 -38.7149 -38.7149 -38.7144 -38.7144 -38.7138 -38.7138 -16.1242 -16.1242 -16.1199 -16.1199 -8.5650 -8.5650 -8.0709 -8.0709 -8.0061 -8.0061 -7.9955 -7.9955 -7.7772 -7.7772 -7.7684 -7.7684 -4.9103 -4.9103 -4.8766 -4.8766 -3.5011 -3.5011 -3.4891 -3.4891 -3.4309 -3.4309 -3.4262 -3.4262 -0.6482 -0.6482 -0.1091 -0.1091 0.1043 0.1043 0.7253 0.7253 1.0540 1.0540 1.1600 1.1600 1.4660 1.4660 1.5719 1.5719 1.6017 1.6017 2.1055 2.1055 2.2739 2.2739 2.4730 2.4730 2.5661 2.5661 2.5863 2.5863 3.1216 3.1216 3.1597 3.1597 3.2511 3.2511 3.3145 3.3145 6.7119 6.7119 6.8537 6.8537 7.7371 7.7371 7.9200 7.9200 8.0506 8.0506 8.1204 8.1204 8.3562 8.3562 8.4427 8.4427 k = 0.0513 0.0888-0.0000 ( 33206 PWs) bands (ev): -72.0501 -72.0501 -72.0498 -72.0498 -39.0047 -39.0047 -39.0032 -39.0032 -38.7184 -38.7184 -38.7149 -38.7149 -38.7144 -38.7144 -38.7138 -38.7138 -16.1242 -16.1242 -16.1198 -16.1198 -8.5675 -8.5675 -8.0732 -8.0732 -8.0018 -8.0018 -7.9950 -7.9950 -7.7744 -7.7744 -7.7686 -7.7686 -4.9116 -4.9116 -4.8770 -4.8770 -3.5025 -3.5025 -3.4922 -3.4922 -3.4308 -3.4308 -3.4276 -3.4276 -0.6629 -0.6629 -0.1078 -0.1078 0.0909 0.0909 0.7262 0.7262 1.0589 1.0589 1.1579 1.1579 1.4713 1.4713 1.5693 1.5693 1.5991 1.5991 2.1196 2.1196 2.2721 2.2721 2.4752 2.4752 2.5839 2.5839 2.6032 2.6032 3.1440 3.1440 3.1754 3.1754 3.2686 3.2686 3.3275 3.3275 6.7042 6.7042 6.8055 6.8055 7.7053 7.7053 7.8840 7.8840 8.0228 8.0228 8.0704 8.0704 8.3171 8.3171 8.4452 8.4452 k = 0.0385 0.0666-0.0000 ( 33204 PWs) bands (ev): -72.0501 -72.0501 -72.0498 -72.0498 -39.0047 -39.0047 -39.0032 -39.0032 -38.7184 -38.7184 -38.7149 -38.7149 -38.7144 -38.7144 -38.7138 -38.7138 -16.1243 -16.1243 -16.1198 -16.1198 -8.5694 -8.5694 -8.0750 -8.0750 -7.9984 -7.9984 -7.9945 -7.9945 -7.7722 -7.7722 -7.7688 -7.7688 -4.9127 -4.9127 -4.8774 -4.8774 -3.5037 -3.5037 -3.4946 -3.4946 -3.4307 -3.4307 -3.4288 -3.4288 -0.6745 -0.6745 -0.1067 -0.1067 0.0802 0.0802 0.7269 0.7269 1.0631 1.0631 1.1559 1.1559 1.4754 1.4754 1.5672 1.5672 1.5975 1.5975 2.1307 2.1307 2.2703 2.2703 2.4763 2.4763 2.5970 2.5970 2.6179 2.6179 3.1626 3.1626 3.1854 3.1854 3.2858 3.2858 3.3381 3.3381 6.6980 6.6980 6.7667 6.7667 7.6798 7.6798 7.8543 7.8543 8.0009 8.0009 8.0322 8.0322 8.2860 8.2860 8.4472 8.4472 k = 0.0256 0.0444-0.0000 ( 33185 PWs) bands (ev): -72.0501 -72.0501 -72.0498 -72.0498 -39.0047 -39.0047 -39.0032 -39.0032 -38.7184 -38.7184 -38.7149 -38.7149 -38.7144 -38.7144 -38.7138 -38.7138 -16.1243 -16.1243 -16.1198 -16.1198 -8.5708 -8.5708 -8.0763 -8.0763 -7.9959 -7.9959 -7.9941 -7.9941 -7.7706 -7.7706 -7.7689 -7.7689 -4.9135 -4.9135 -4.8777 -4.8777 -3.5046 -3.5046 -3.4964 -3.4964 -3.4307 -3.4307 -3.4297 -3.4297 -0.6828 -0.6828 -0.1059 -0.1059 0.0725 0.0725 0.7274 0.7274 1.0662 1.0662 1.1543 1.1543 1.4783 1.4783 1.5657 1.5657 1.5967 1.5967 2.1387 2.1387 2.2688 2.2688 2.4767 2.4767 2.6061 2.6061 2.6289 2.6289 3.1767 3.1767 3.1910 3.1910 3.3000 3.3000 3.3460 3.3460 6.6935 6.6935 6.7382 6.7382 7.6613 7.6613 7.8321 7.8321 7.9841 7.9841 8.0063 8.0063 8.2635 8.2635 8.4482 8.4482 k = 0.0128 0.0222-0.0000 ( 33207 PWs) bands (ev): -72.0501 -72.0501 -72.0498 -72.0498 -39.0047 -39.0047 -39.0032 -39.0032 -38.7185 -38.7185 -38.7149 -38.7149 -38.7144 -38.7144 -38.7139 -38.7139 -16.1243 -16.1243 -16.1198 -16.1198 -8.5717 -8.5717 -8.0771 -8.0771 -7.9943 -7.9943 -7.9939 -7.9939 -7.7697 -7.7697 -7.7689 -7.7689 -4.9139 -4.9139 -4.8779 -4.8779 -3.5051 -3.5051 -3.4974 -3.4974 -3.4306 -3.4306 -3.4302 -3.4302 -0.6879 -0.6879 -0.1054 -0.1054 0.0678 0.0678 0.7277 0.7277 1.0682 1.0682 1.1533 1.1533 1.4801 1.4801 1.5648 1.5648 1.5963 1.5963 2.1436 2.1436 2.2678 2.2678 2.4769 2.4769 2.6116 2.6116 2.6356 2.6356 3.1863 3.1863 3.1932 3.1932 3.3092 3.3092 3.3509 3.3509 6.6907 6.6907 6.7208 6.7208 7.6499 7.6499 7.8184 7.8184 7.9727 7.9727 7.9923 7.9923 8.2498 8.2498 8.4483 8.4483 k = 0.0000 0.0000 0.0000 ( 33157 PWs) bands (ev): -72.0501 -72.0501 -72.0498 -72.0498 -39.0047 -39.0047 -39.0032 -39.0032 -38.7185 -38.7185 -38.7148 -38.7148 -38.7144 -38.7144 -38.7138 -38.7138 -16.1243 -16.1243 -16.1198 -16.1198 -8.5720 -8.5720 -8.0774 -8.0774 -7.9938 -7.9938 -7.9938 -7.9938 -7.7695 -7.7695 -7.7688 -7.7688 -4.9141 -4.9141 -4.8779 -4.8779 -3.5053 -3.5053 -3.4977 -3.4977 -3.4306 -3.4306 -3.4303 -3.4303 -0.6895 -0.6895 -0.1052 -0.1052 0.0662 0.0662 0.7278 0.7278 1.0689 1.0689 1.1529 1.1529 1.4807 1.4807 1.5645 1.5645 1.5962 1.5962 2.1452 2.1452 2.2675 2.2675 2.4769 2.4769 2.6134 2.6134 2.6378 2.6378 3.1908 3.1908 3.1925 3.1925 3.3124 3.3124 3.3526 3.3526 6.6898 6.6898 6.7150 6.7150 7.6461 7.6461 7.8138 7.8138 7.9685 7.9685 7.9880 7.9880 8.2452 8.2452 8.4482 8.4482 k = 0.0000 0.0000 0.0000 ( 33157 PWs) bands (ev): -72.0501 -72.0501 -72.0498 -72.0498 -39.0047 -39.0047 -39.0032 -39.0032 -38.7185 -38.7185 -38.7148 -38.7148 -38.7144 -38.7144 -38.7138 -38.7138 -16.1243 -16.1243 -16.1198 -16.1198 -8.5720 -8.5720 -8.0774 -8.0774 -7.9938 -7.9938 -7.9938 -7.9938 -7.7695 -7.7695 -7.7688 -7.7688 -4.9141 -4.9141 -4.8779 -4.8779 -3.5053 -3.5053 -3.4977 -3.4977 -3.4306 -3.4306 -3.4303 -3.4303 -0.6895 -0.6895 -0.1052 -0.1052 0.0662 0.0662 0.7278 0.7278 1.0689 1.0689 1.1529 1.1529 1.4807 1.4807 1.5645 1.5645 1.5962 1.5962 2.1452 2.1452 2.2675 2.2675 2.4769 2.4769 2.6134 2.6134 2.6378 2.6378 3.1908 3.1908 3.1925 3.1925 3.3124 3.3124 3.3526 3.3526 6.6898 6.6898 6.7150 6.7150 7.6461 7.6461 7.8138 7.8138 7.9685 7.9685 7.9880 7.9880 8.2452 8.2452 8.4482 8.4482 k = 0.0000 0.0000 0.0254 ( 33145 PWs) bands (ev): -72.0501 -72.0501 -72.0498 -72.0498 -39.0047 -39.0047 -39.0032 -39.0032 -38.7184 -38.7184 -38.7149 -38.7149 -38.7144 -38.7144 -38.7138 -38.7138 -16.1243 -16.1243 -16.1198 -16.1198 -8.5715 -8.5715 -8.0781 -8.0781 -7.9936 -7.9936 -7.9936 -7.9936 -7.7698 -7.7698 -7.7691 -7.7691 -4.9140 -4.9140 -4.8780 -4.8780 -3.5051 -3.5051 -3.4978 -3.4978 -3.4307 -3.4307 -3.4305 -3.4305 -0.6888 -0.6888 -0.1123 -0.1123 0.0750 0.0750 0.7273 0.7273 1.0664 1.0664 1.1511 1.1511 1.4845 1.4845 1.5684 1.5684 1.5929 1.5929 2.1424 2.1424 2.2716 2.2716 2.4775 2.4775 2.6142 2.6142 2.6377 2.6377 3.1870 3.1870 3.1924 3.1924 3.3128 3.3128 3.3522 3.3522 6.6858 6.6858 6.7193 6.7193 7.6486 7.6486 7.8193 7.8193 7.9698 7.9698 7.9894 7.9894 8.2477 8.2477 8.4177 8.4177 k = 0.0000 0.0000 0.0509 ( 33151 PWs) bands (ev): -72.0501 -72.0501 -72.0498 -72.0498 -39.0047 -39.0047 -39.0032 -39.0032 -38.7184 -38.7184 -38.7149 -38.7149 -38.7144 -38.7144 -38.7138 -38.7138 -16.1243 -16.1243 -16.1198 -16.1198 -8.5700 -8.5700 -8.0802 -8.0802 -7.9928 -7.9928 -7.9928 -7.9928 -7.7706 -7.7706 -7.7698 -7.7698 -4.9139 -4.9139 -4.8781 -4.8781 -3.5046 -3.5046 -3.4978 -3.4978 -3.4310 -3.4310 -3.4309 -3.4309 -0.6864 -0.6864 -0.1301 -0.1301 0.0979 0.0979 0.7256 0.7256 1.0592 1.0592 1.1459 1.1459 1.4958 1.4958 1.5800 1.5801 1.5830 1.5830 2.1346 2.1346 2.2830 2.2830 2.4793 2.4793 2.6166 2.6166 2.6372 2.6372 3.1759 3.1759 3.1920 3.1920 3.3137 3.3137 3.3509 3.3509 6.6740 6.6740 6.7322 6.7322 7.6558 7.6558 7.8353 7.8353 7.9737 7.9737 7.9933 7.9933 8.2551 8.2551 8.3462 8.3462 k = 0.0000 0.0000 0.0763 ( 33139 PWs) bands (ev): -72.0501 -72.0501 -72.0498 -72.0498 -39.0047 -39.0047 -39.0032 -39.0032 -38.7184 -38.7184 -38.7149 -38.7149 -38.7144 -38.7144 -38.7138 -38.7138 -16.1243 -16.1243 -16.1198 -16.1198 -8.5676 -8.5676 -8.0836 -8.0836 -7.9915 -7.9915 -7.9915 -7.9915 -7.7718 -7.7718 -7.7711 -7.7711 -4.9136 -4.9136 -4.8784 -4.8784 -3.5037 -3.5037 -3.4978 -3.4978 -3.4317 -3.4317 -3.4315 -3.4315 -0.6826 -0.6826 -0.1532 -0.1532 0.1295 0.1295 0.7229 0.7229 1.0479 1.0479 1.1379 1.1379 1.5139 1.5139 1.5673 1.5673 1.5986 1.5986 2.1231 2.1231 2.2997 2.2997 2.4821 2.4821 2.6206 2.6206 2.6365 2.6365 3.1581 3.1581 3.1913 3.1913 3.3152 3.3152 3.3487 3.3487 6.6557 6.6557 6.7531 6.7531 7.6679 7.6679 7.8600 7.8600 7.9802 7.9802 8.0000 8.0000 8.2657 8.2657 8.2678 8.2678 k = 0.0000 0.0000 0.1018 ( 33163 PWs) bands (ev): -72.0501 -72.0501 -72.0498 -72.0498 -39.0047 -39.0047 -39.0032 -39.0032 -38.7184 -38.7184 -38.7149 -38.7149 -38.7144 -38.7144 -38.7139 -38.7139 -16.1242 -16.1242 -16.1198 -16.1198 -8.5642 -8.5642 -8.0884 -8.0884 -7.9897 -7.9897 -7.9897 -7.9897 -7.7736 -7.7736 -7.7729 -7.7729 -4.9133 -4.9133 -4.8787 -4.8787 -3.5025 -3.5025 -3.4979 -3.4979 -3.4327 -3.4327 -3.4321 -3.4321 -0.6773 -0.6773 -0.1781 -0.1781 0.1663 0.1663 0.7194 0.7194 1.0333 1.0333 1.1280 1.1280 1.5379 1.5379 1.5466 1.5466 1.6232 1.6232 2.1087 2.1087 2.3198 2.3198 2.4858 2.4858 2.6259 2.6259 2.6357 2.6357 3.1344 3.1344 3.1905 3.1905 3.3172 3.3172 3.3454 3.3454 6.6325 6.6325 6.7811 6.7811 7.6847 7.6847 7.8910 7.8910 7.9892 7.9892 8.0092 8.0092 8.1853 8.1853 8.1946 8.1946 k = 0.0000 0.0000 0.1272 ( 33163 PWs) bands (ev): -72.0501 -72.0501 -72.0498 -72.0498 -39.0047 -39.0047 -39.0032 -39.0032 -38.7183 -38.7183 -38.7149 -38.7149 -38.7144 -38.7144 -38.7138 -38.7138 -16.1242 -16.1242 -16.1199 -16.1199 -8.5599 -8.5599 -8.0945 -8.0945 -7.9873 -7.9873 -7.9873 -7.9873 -7.7759 -7.7759 -7.7753 -7.7753 -4.9128 -4.9128 -4.8792 -4.8792 -3.5010 -3.5010 -3.4980 -3.4980 -3.4340 -3.4340 -3.4329 -3.4329 -0.6705 -0.6705 -0.2030 -0.2030 0.2062 0.2062 0.7151 0.7151 1.0163 1.0163 1.1172 1.1172 1.5218 1.5218 1.5669 1.5669 1.6528 1.6528 2.0916 2.0916 2.3419 2.3419 2.4901 2.4901 2.6311 2.6311 2.6364 2.6364 3.1058 3.1058 3.1897 3.1897 3.3195 3.3195 3.3408 3.3408 6.6062 6.6062 6.8153 6.8153 7.7062 7.7062 7.9255 7.9255 8.0003 8.0003 8.0209 8.0209 8.1081 8.1081 8.1170 8.1170 k = 0.0000 0.0000 0.1527 ( 33211 PWs) bands (ev): -72.0501 -72.0501 -72.0499 -72.0499 -39.0047 -39.0047 -39.0033 -39.0033 -38.7183 -38.7183 -38.7150 -38.7150 -38.7144 -38.7144 -38.7139 -38.7139 -16.1241 -16.1241 -16.1199 -16.1199 -8.5546 -8.5546 -8.1019 -8.1019 -7.9845 -7.9845 -7.9845 -7.9845 -7.7787 -7.7787 -7.7781 -7.7781 -4.9123 -4.9123 -4.8797 -4.8797 -3.4992 -3.4992 -3.4980 -3.4980 -3.4355 -3.4355 -3.4339 -3.4339 -0.6625 -0.6625 -0.2270 -0.2270 0.2484 0.2484 0.7104 0.7104 0.9976 0.9976 1.1062 1.1062 1.4937 1.4937 1.6000 1.6000 1.6867 1.6867 2.0717 2.0717 2.3647 2.3647 2.4948 2.4948 2.6312 2.6312 2.6436 2.6436 3.0734 3.0734 3.1887 3.1887 3.3220 3.3220 3.3350 3.3350 6.5786 6.5786 6.8541 6.8541 7.7321 7.7321 7.9606 7.9606 8.0098 8.0098 8.0351 8.0351 8.0391 8.0391 8.0430 8.0430 k = 0.0000 0.0000 0.1781 ( 33169 PWs) bands (ev): -72.0501 -72.0501 -72.0499 -72.0499 -39.0046 -39.0046 -39.0033 -39.0033 -38.7182 -38.7182 -38.7150 -38.7150 -38.7144 -38.7144 -38.7139 -38.7139 -16.1240 -16.1240 -16.1200 -16.1200 -8.5484 -8.5484 -8.1104 -8.1104 -7.9812 -7.9812 -7.9812 -7.9812 -7.7819 -7.7819 -7.7813 -7.7813 -4.9117 -4.9117 -4.8803 -4.8803 -3.4980 -3.4980 -3.4971 -3.4971 -3.4374 -3.4374 -3.4350 -3.4350 -0.6532 -0.6532 -0.2497 -0.2497 0.2922 0.2922 0.7053 0.7053 0.9777 0.9777 1.0956 1.0956 1.4634 1.4634 1.6367 1.6367 1.7240 1.7240 2.0487 2.0487 2.3872 2.3872 2.4995 2.4995 2.6296 2.6296 2.6539 2.6539 3.0385 3.0385 3.1879 3.1879 3.3245 3.3245 3.3279 3.3279 6.5513 6.5513 6.8962 6.8962 7.7622 7.7622 7.9624 7.9624 7.9738 7.9738 7.9941 7.9941 8.0343 8.0343 8.0517 8.0517 k = 0.0000 0.0000 0.2036 ( 33182 PWs) bands (ev): -72.0501 -72.0501 -72.0499 -72.0499 -39.0046 -39.0046 -39.0033 -39.0033 -38.7182 -38.7182 -38.7151 -38.7151 -38.7143 -38.7143 -38.7139 -38.7139 -16.1239 -16.1239 -16.1200 -16.1200 -8.5413 -8.5413 -8.1201 -8.1201 -7.9775 -7.9775 -7.9774 -7.9774 -7.7856 -7.7856 -7.7851 -7.7851 -4.9110 -4.9110 -4.8810 -4.8810 -3.4980 -3.4980 -3.4949 -3.4949 -3.4394 -3.4394 -3.4362 -3.4362 -0.6428 -0.6428 -0.2709 -0.2709 0.3372 0.3372 0.7001 0.7001 0.9571 0.9571 1.0860 1.0860 1.4314 1.4314 1.6762 1.6762 1.7640 1.7640 2.0223 2.0223 2.4087 2.4087 2.5039 2.5039 2.6276 2.6276 2.6660 2.6660 3.0021 3.0021 3.1872 3.1872 3.3195 3.3195 3.3267 3.3267 6.5256 6.5256 6.9400 6.9400 7.7955 7.7955 7.9007 7.9007 7.9105 7.9105 8.0248 8.0248 8.0519 8.0519 8.0704 8.0704 k = 0.0000 0.0000 0.2290 ( 33218 PWs) bands (ev): -72.0501 -72.0501 -72.0499 -72.0499 -39.0046 -39.0046 -39.0033 -39.0033 -38.7181 -38.7181 -38.7152 -38.7152 -38.7143 -38.7143 -38.7139 -38.7139 -16.1238 -16.1238 -16.1201 -16.1201 -8.5333 -8.5333 -8.1309 -8.1309 -7.9733 -7.9733 -7.9732 -7.9732 -7.7898 -7.7898 -7.7893 -7.7893 -4.9102 -4.9102 -4.8818 -4.8818 -3.4979 -3.4979 -3.4925 -3.4925 -3.4416 -3.4416 -3.4375 -3.4375 -0.6315 -0.6315 -0.2904 -0.2904 0.3831 0.3831 0.6950 0.6950 0.9362 0.9362 1.0778 1.0778 1.3984 1.3984 1.7182 1.7182 1.8063 1.8063 1.9921 1.9921 2.4284 2.4284 2.5076 2.5076 2.6256 2.6256 2.6798 2.6798 2.9654 2.9654 3.1868 3.1868 3.3098 3.3098 3.3286 3.3286 6.5027 6.5027 6.9836 6.9836 7.8273 7.8273 7.8449 7.8449 7.8579 7.8579 8.0519 8.0519 8.0722 8.0722 8.0910 8.0910 k = 0.0000 0.0000 0.2545 ( 33218 PWs) bands (ev): -72.0500 -72.0500 -72.0499 -72.0499 -39.0046 -39.0046 -39.0034 -39.0034 -38.7180 -38.7180 -38.7153 -38.7153 -38.7143 -38.7143 -38.7139 -38.7139 -16.1237 -16.1237 -16.1202 -16.1202 -8.5244 -8.5244 -8.1427 -8.1427 -7.9686 -7.9686 -7.9685 -7.9685 -7.7944 -7.7944 -7.7939 -7.7939 -4.9095 -4.9095 -4.8826 -4.8826 -3.4977 -3.4977 -3.4901 -3.4901 -3.4441 -3.4441 -3.4389 -3.4389 -0.6193 -0.6193 -0.3082 -0.3082 0.4297 0.4297 0.6901 0.6901 0.9152 0.9152 1.0714 1.0714 1.3648 1.3648 1.7621 1.7621 1.8504 1.8504 1.9580 1.9580 2.4459 2.4459 2.5103 2.5103 2.6234 2.6234 2.6951 2.6951 2.9291 2.9291 3.1867 3.1867 3.2989 3.2989 3.3297 3.3297 6.4836 6.4836 7.0254 7.0254 7.7962 7.7962 7.7993 7.7993 7.8732 7.8732 8.0756 8.0756 8.0942 8.0942 8.1133 8.1133 k = 0.0000 0.0000 0.2799 ( 33212 PWs) bands (ev): -72.0500 -72.0500 -72.0499 -72.0499 -39.0045 -39.0045 -39.0034 -39.0034 -38.7180 -38.7180 -38.7153 -38.7153 -38.7143 -38.7143 -38.7139 -38.7139 -16.1236 -16.1236 -16.1203 -16.1203 -8.5147 -8.5147 -8.1553 -8.1553 -7.9636 -7.9636 -7.9635 -7.9635 -7.7994 -7.7994 -7.7990 -7.7990 -4.9086 -4.9086 -4.8835 -4.8835 -3.4974 -3.4974 -3.4875 -3.4875 -3.4467 -3.4467 -3.4404 -3.4404 -0.6064 -0.6064 -0.3243 -0.3243 0.4766 0.4766 0.6857 0.6857 0.8943 0.8943 1.0670 1.0670 1.3312 1.3312 1.8076 1.8076 1.8958 1.8958 1.9199 1.9199 2.4607 2.4607 2.5117 2.5117 2.6213 2.6213 2.7121 2.7121 2.8942 2.8942 3.1870 3.1870 3.2866 3.2866 3.3300 3.3300 6.4689 6.4689 7.0633 7.0633 7.7551 7.7551 7.7577 7.7577 7.9090 7.9090 8.0959 8.0959 8.1176 8.1176 8.1368 8.1368 k = 0.0000 0.0000 0.3053 ( 33200 PWs) bands (ev): -72.0500 -72.0500 -72.0499 -72.0499 -39.0045 -39.0045 -39.0034 -39.0034 -38.7179 -38.7179 -38.7154 -38.7154 -38.7143 -38.7143 -38.7139 -38.7139 -16.1235 -16.1235 -16.1204 -16.1204 -8.5042 -8.5042 -8.1689 -8.1689 -7.9581 -7.9581 -7.9580 -7.9580 -7.8047 -7.8047 -7.8044 -7.8044 -4.9077 -4.9077 -4.8844 -4.8844 -3.4970 -3.4970 -3.4849 -3.4849 -3.4494 -3.4494 -3.4419 -3.4419 -0.5929 -0.5929 -0.3390 -0.3390 0.5238 0.5238 0.6819 0.6819 0.8738 0.8738 1.0649 1.0649 1.2977 1.2977 1.8543 1.8543 1.8778 1.8778 1.9420 1.9420 2.4725 2.4725 2.5115 2.5115 2.6193 2.6193 2.7307 2.7307 2.8611 2.8611 3.1879 3.1879 3.2728 3.2728 3.3293 3.3293 6.4593 6.4593 7.0953 7.0953 7.7223 7.7223 7.7235 7.7235 7.9416 7.9416 8.1133 8.1133 8.1415 8.1415 8.1608 8.1608 k = 0.0000 0.0000 0.3308 ( 33218 PWs) bands (ev): -72.0500 -72.0500 -72.0499 -72.0499 -39.0045 -39.0045 -39.0035 -39.0035 -38.7178 -38.7178 -38.7155 -38.7155 -38.7143 -38.7143 -38.7140 -38.7140 -16.1233 -16.1233 -16.1205 -16.1205 -8.4929 -8.4929 -8.1831 -8.1831 -7.9523 -7.9523 -7.9522 -7.9522 -7.8104 -7.8104 -7.8102 -7.8102 -4.9068 -4.9068 -4.8854 -4.8854 -3.4964 -3.4964 -3.4823 -3.4823 -3.4523 -3.4523 -3.4435 -3.4435 -0.5791 -0.5791 -0.3522 -0.3522 0.5709 0.5709 0.6788 0.6788 0.8539 0.8539 1.0654 1.0654 1.2647 1.2647 1.8321 1.8321 1.9017 1.9017 1.9887 1.9887 2.4813 2.4813 2.5093 2.5093 2.6174 2.6174 2.7508 2.7508 2.8302 2.8302 3.1894 3.1894 3.2577 3.2577 3.3273 3.3273 6.4554 6.4554 7.1189 7.1189 7.6978 7.6978 7.6981 7.6981 7.9664 7.9664 8.1279 8.1279 8.1651 8.1651 8.1842 8.1842 k = 0.0000 0.0000 0.3562 ( 33254 PWs) bands (ev): -72.0500 -72.0500 -72.0499 -72.0499 -39.0044 -39.0044 -39.0035 -39.0035 -38.7177 -38.7177 -38.7156 -38.7156 -38.7143 -38.7143 -38.7140 -38.7140 -16.1232 -16.1232 -16.1206 -16.1206 -8.4809 -8.4809 -8.1980 -8.1980 -7.9462 -7.9462 -7.9461 -7.9461 -7.8165 -7.8165 -7.8163 -7.8163 -4.9058 -4.9058 -4.8864 -4.8864 -3.4957 -3.4957 -3.4797 -3.4797 -3.4552 -3.4552 -3.4451 -3.4451 -0.5651 -0.5651 -0.3642 -0.3642 0.6177 0.6177 0.6766 0.6766 0.8346 0.8346 1.0689 1.0689 1.2322 1.2322 1.7830 1.7830 1.9496 1.9496 2.0355 2.0355 2.4870 2.4870 2.5050 2.5050 2.6158 2.6158 2.7724 2.7724 2.8014 2.8014 3.1916 3.1916 3.2409 3.2409 3.3241 3.3241 6.4575 6.4575 7.1318 7.1318 7.6811 7.6811 7.6829 7.6829 7.9802 7.9802 8.1395 8.1395 8.1869 8.1869 8.2056 8.2056 k = 0.0000 0.0000 0.3817 ( 33236 PWs) bands (ev): -72.0500 -72.0500 -72.0499 -72.0499 -39.0044 -39.0044 -39.0036 -39.0036 -38.7176 -38.7176 -38.7157 -38.7157 -38.7143 -38.7143 -38.7140 -38.7140 -16.1230 -16.1230 -16.1207 -16.1207 -8.4681 -8.4681 -8.2135 -8.2135 -7.9398 -7.9398 -7.9396 -7.9396 -7.8229 -7.8229 -7.8227 -7.8227 -4.9049 -4.9049 -4.8875 -4.8875 -3.4948 -3.4948 -3.4772 -3.4772 -3.4582 -3.4582 -3.4467 -3.4467 -0.5510 -0.5510 -0.3752 -0.3752 0.6639 0.6639 0.6753 0.6753 0.8161 0.8161 1.0756 1.0756 1.2005 1.2005 1.7312 1.7312 1.9975 1.9975 2.0819 2.0819 2.4897 2.4897 2.4982 2.4982 2.6145 2.6145 2.7749 2.7749 2.7956 2.7956 3.1945 3.1945 3.2225 3.2225 3.3195 3.3195 6.4659 6.4659 7.1317 7.1317 7.6737 7.6737 7.6769 7.6769 7.9831 7.9831 8.1480 8.1480 8.2048 8.2048 8.2227 8.2227 k = 0.0000 0.0000 0.4071 ( 33260 PWs) bands (ev): -72.0500 -72.0500 -72.0499 -72.0499 -39.0043 -39.0043 -39.0036 -39.0036 -38.7175 -38.7175 -38.7158 -38.7158 -38.7143 -38.7143 -38.7140 -38.7140 -16.1229 -16.1229 -16.1208 -16.1208 -8.4547 -8.4547 -8.2294 -8.2294 -7.9331 -7.9331 -7.9329 -7.9329 -7.8295 -7.8295 -7.8294 -7.8294 -4.9039 -4.9039 -4.8886 -4.8886 -3.4938 -3.4938 -3.4748 -3.4748 -3.4612 -3.4612 -3.4484 -3.4484 -0.5370 -0.5370 -0.3854 -0.3854 0.6751 0.6751 0.7092 0.7092 0.7985 0.7985 1.0861 1.0861 1.1696 1.1696 1.6771 1.6771 2.0450 2.0450 2.1276 2.1276 2.4887 2.4887 2.4893 2.4893 2.6138 2.6138 2.7503 2.7503 2.8201 2.8201 3.1983 3.1983 3.2023 3.2023 3.3136 3.3136 6.4807 6.4807 7.1170 7.1170 7.6757 7.6757 7.6802 7.6802 7.9804 7.9804 8.1531 8.1531 8.2157 8.2157 8.2319 8.2319 k = 0.0000 0.0000 0.4326 ( 33236 PWs) bands (ev): -72.0500 -72.0500 -72.0499 -72.0499 -39.0043 -39.0043 -39.0037 -39.0037 -38.7174 -38.7174 -38.7159 -38.7159 -38.7142 -38.7142 -38.7140 -38.7140 -16.1227 -16.1227 -16.1209 -16.1209 -8.4407 -8.4407 -8.2457 -8.2457 -7.9261 -7.9261 -7.9260 -7.9260 -7.8364 -7.8364 -7.8363 -7.8363 -4.9028 -4.9028 -4.8897 -4.8897 -3.4925 -3.4925 -3.4724 -3.4724 -3.4643 -3.4643 -3.4500 -3.4500 -0.5233 -0.5233 -0.3950 -0.3950 0.6759 0.6759 0.7531 0.7531 0.7819 0.7819 1.1008 1.1008 1.1396 1.1396 1.6216 1.6216 2.0918 2.0918 2.1721 2.1721 2.4763 2.4763 2.4858 2.4858 2.6136 2.6136 2.7277 2.7277 2.8459 2.8459 3.1805 3.1805 3.2029 3.2029 3.3064 3.3064 6.5022 6.5022 7.0880 7.0880 7.6871 7.6871 7.6928 7.6928 7.9789 7.9789 8.1542 8.1542 8.2153 8.2153 8.2290 8.2290 k = 0.0000 0.0000 0.4580 ( 33242 PWs) bands (ev): -72.0500 -72.0500 -72.0499 -72.0499 -39.0042 -39.0042 -39.0037 -39.0037 -38.7173 -38.7173 -38.7161 -38.7161 -38.7142 -38.7142 -38.7140 -38.7140 -16.1226 -16.1226 -16.1211 -16.1211 -8.4261 -8.4261 -8.2623 -8.2623 -7.9190 -7.9190 -7.9188 -7.9188 -7.8435 -7.8435 -7.8435 -7.8435 -4.9018 -4.9018 -4.8908 -4.8908 -3.4911 -3.4911 -3.4702 -3.4702 -3.4673 -3.4673 -3.4517 -3.4517 -0.5099 -0.5099 -0.4041 -0.4041 0.6779 0.6779 0.7663 0.7663 0.7951 0.7951 1.1103 1.1103 1.1202 1.1202 1.5652 1.5652 2.1374 2.1374 2.2151 2.2151 2.4609 2.4609 2.4793 2.4793 2.6142 2.6142 2.7070 2.7070 2.8730 2.8730 3.1569 3.1569 3.2085 3.2085 3.2982 3.2982 6.5301 6.5301 7.0464 7.0464 7.7079 7.7079 7.7144 7.7144 7.9829 7.9829 8.1509 8.1509 8.1997 8.1997 8.2102 8.2102 k = 0.0000 0.0000 0.4835 ( 33278 PWs) bands (ev): -72.0500 -72.0500 -72.0499 -72.0499 -39.0042 -39.0042 -39.0038 -39.0038 -38.7172 -38.7172 -38.7162 -38.7162 -38.7142 -38.7142 -38.7141 -38.7141 -16.1224 -16.1224 -16.1212 -16.1212 -8.4110 -8.4110 -8.2791 -8.2791 -7.9116 -7.9116 -7.9115 -7.9115 -7.8508 -7.8508 -7.8508 -7.8508 -4.9007 -4.9007 -4.8919 -4.8919 -3.4895 -3.4895 -3.4702 -3.4702 -3.4680 -3.4680 -3.4533 -3.4533 -0.4969 -0.4969 -0.4131 -0.4131 0.6811 0.6811 0.7519 0.7519 0.8348 0.8348 1.0816 1.0816 1.1448 1.1448 1.5087 1.5087 2.1815 2.1815 2.2561 2.2561 2.4424 2.4424 2.4694 2.4694 2.6156 2.6156 2.6882 2.6882 2.9011 2.9011 3.1318 3.1318 3.2150 3.2150 3.2891 3.2891 6.5645 6.5645 6.9953 6.9953 7.7377 7.7377 7.7449 7.7449 7.9938 7.9938 8.1416 8.1416 8.1670 8.1670 8.1755 8.1756 k = 0.0000 0.0000 0.5089 ( 33254 PWs) bands (ev): -72.0500 -72.0500 -72.0499 -72.0499 -39.0041 -39.0041 -39.0038 -39.0038 -38.7170 -38.7170 -38.7163 -38.7163 -38.7142 -38.7142 -38.7141 -38.7141 -16.1223 -16.1223 -16.1213 -16.1213 -8.3955 -8.3955 -8.2960 -8.2960 -7.9041 -7.9041 -7.9040 -7.9040 -7.8583 -7.8583 -7.8583 -7.8583 -4.8997 -4.8997 -4.8930 -4.8930 -3.4877 -3.4877 -3.4731 -3.4731 -3.4659 -3.4659 -3.4550 -3.4550 -0.4845 -0.4845 -0.4221 -0.4221 0.6855 0.6855 0.7387 0.7387 0.8719 0.8719 1.0535 1.0535 1.1749 1.1749 1.4529 1.4529 2.2237 2.2237 2.2947 2.2947 2.4206 2.4206 2.4560 2.4560 2.6182 2.6182 2.6715 2.6715 2.9300 2.9300 3.1051 3.1052 3.2224 3.2224 3.2794 3.2794 6.6050 6.6050 6.9381 6.9381 7.7761 7.7761 7.7836 7.7836 8.0107 8.0107 8.1137 8.1137 8.1197 8.1197 8.1408 8.1408 k = 0.0000 0.0000 0.5343 ( 33266 PWs) bands (ev): -72.0500 -72.0500 -72.0499 -72.0499 -39.0041 -39.0041 -39.0039 -39.0039 -38.7169 -38.7169 -38.7164 -38.7164 -38.7142 -38.7142 -38.7141 -38.7141 -16.1221 -16.1221 -16.1215 -16.1215 -8.3795 -8.3795 -8.3130 -8.3130 -7.8966 -7.8966 -7.8964 -7.8964 -7.8659 -7.8659 -7.8658 -7.8658 -4.8986 -4.8986 -4.8942 -4.8942 -3.4856 -3.4856 -3.4759 -3.4759 -3.4639 -3.4639 -3.4567 -3.4567 -0.4727 -0.4727 -0.4314 -0.4314 0.6912 0.6912 0.7266 0.7266 0.9063 0.9063 1.0255 1.0255 1.2105 1.2105 1.3984 1.3984 2.2636 2.2636 2.3305 2.3305 2.3955 2.3955 2.4388 2.4388 2.6222 2.6222 2.6571 2.6571 2.9595 2.9595 3.0773 3.0773 3.2306 3.2306 3.2693 3.2693 6.6513 6.6513 6.8779 6.8779 7.8223 7.8223 7.8299 7.8299 8.0317 8.0317 8.0580 8.0580 8.0628 8.0628 8.1209 8.1209 k = 0.0000 0.0000 0.5598 ( 33314 PWs) bands (ev): -72.0500 -72.0500 -72.0500 -72.0500 -39.0040 -39.0040 -39.0039 -39.0039 -38.7168 -38.7168 -38.7166 -38.7166 -38.7142 -38.7142 -38.7141 -38.7141 -16.1219 -16.1219 -16.1216 -16.1216 -8.3632 -8.3632 -8.3299 -8.3299 -7.8889 -7.8889 -7.8888 -7.8888 -7.8735 -7.8735 -7.8734 -7.8734 -4.8975 -4.8975 -4.8953 -4.8953 -3.4834 -3.4834 -3.4786 -3.4786 -3.4620 -3.4620 -3.4584 -3.4584 -0.4615 -0.4615 -0.4409 -0.4409 0.6981 0.6981 0.7159 0.7159 0.9383 0.9383 0.9973 0.9973 1.2514 1.2514 1.3461 1.3461 2.3010 2.3010 2.3631 2.3631 2.3671 2.3671 2.4175 2.4175 2.6278 2.6278 2.6450 2.6450 2.9893 2.9893 3.0485 3.0485 3.2396 3.2396 3.2592 3.2592 6.7027 6.7027 6.8173 6.8173 7.8753 7.8753 7.8827 7.8827 7.9958 7.9958 8.0017 8.0017 8.0548 8.0548 8.1007 8.1007 k = 0.0000 0.0000 0.5852 ( 33302 PWs) bands (ev): -72.0500 -72.0500 -72.0500 -72.0500 -39.0040 -39.0040 -39.0040 -39.0040 -38.7167 -38.7167 -38.7167 -38.7167 -38.7141 -38.7141 -38.7141 -38.7141 -16.1218 -16.1218 -16.1218 -16.1218 -8.3466 -8.3466 -8.3466 -8.3466 -7.8812 -7.8812 -7.8812 -7.8812 -7.8811 -7.8811 -7.8811 -7.8811 -4.8964 -4.8964 -4.8964 -4.8964 -3.4811 -3.4811 -3.4811 -3.4811 -3.4602 -3.4602 -3.4602 -3.4602 -0.4510 -0.4510 -0.4510 -0.4510 0.7063 0.7063 0.7063 0.7063 0.9685 0.9685 0.9685 0.9685 1.2969 1.2969 1.2969 1.2969 2.3356 2.3356 2.3356 2.3356 2.3922 2.3922 2.3922 2.3922 2.6353 2.6353 2.6353 2.6353 3.0190 3.0190 3.0190 3.0190 3.2492 3.2492 3.2492 3.2492 6.7584 6.7584 6.7584 6.7584 7.9339 7.9339 7.9339 7.9339 7.9407 7.9407 7.9407 7.9407 8.0783 8.0783 8.0783 8.0783 k = 0.0000 0.0000 0.5852 ( 33302 PWs) bands (ev): -72.0500 -72.0500 -72.0500 -72.0500 -39.0040 -39.0040 -39.0040 -39.0040 -38.7167 -38.7167 -38.7167 -38.7167 -38.7141 -38.7141 -38.7141 -38.7141 -16.1218 -16.1218 -16.1218 -16.1218 -8.3466 -8.3466 -8.3466 -8.3466 -7.8812 -7.8812 -7.8812 -7.8812 -7.8811 -7.8811 -7.8811 -7.8811 -4.8964 -4.8964 -4.8964 -4.8964 -3.4811 -3.4811 -3.4811 -3.4811 -3.4602 -3.4602 -3.4602 -3.4602 -0.4510 -0.4510 -0.4510 -0.4510 0.7063 0.7063 0.7063 0.7063 0.9685 0.9685 0.9685 0.9685 1.2969 1.2969 1.2969 1.2969 2.3356 2.3356 2.3356 2.3356 2.3922 2.3922 2.3922 2.3922 2.6353 2.6353 2.6353 2.6353 3.0190 3.0190 3.0190 3.0190 3.2492 3.2492 3.2492 3.2492 6.7584 6.7584 6.7584 6.7584 7.9339 7.9339 7.9339 7.9339 7.9407 7.9407 7.9407 7.9407 8.0783 8.0783 8.0783 8.0783 k = 0.0217 0.0126 0.5852 ( 33318 PWs) bands (ev): -72.0500 -72.0500 -72.0500 -72.0500 -39.0040 -39.0040 -39.0040 -39.0040 -38.7167 -38.7167 -38.7167 -38.7167 -38.7141 -38.7141 -38.7141 -38.7141 -16.1218 -16.1218 -16.1218 -16.1218 -8.3463 -8.3463 -8.3463 -8.3463 -7.8816 -7.8816 -7.8816 -7.8816 -7.8812 -7.8812 -7.8812 -7.8812 -4.8963 -4.8963 -4.8963 -4.8963 -3.4808 -3.4808 -3.4808 -3.4808 -3.4601 -3.4601 -3.4601 -3.4601 -0.4497 -0.4497 -0.4497 -0.4497 0.7061 0.7061 0.7061 0.7061 0.9683 0.9683 0.9683 0.9683 1.2973 1.2973 1.2973 1.2973 2.3343 2.3343 2.3343 2.3343 2.3923 2.3923 2.3923 2.3923 2.6334 2.6334 2.6334 2.6334 3.0178 3.0178 3.0178 3.0178 3.2470 3.2470 3.2470 3.2470 6.7611 6.7611 6.7611 6.7611 7.9360 7.9360 7.9360 7.9360 7.9432 7.9432 7.9432 7.9432 8.0832 8.0832 8.0832 8.0832 k = 0.0435 0.0251 0.5852 ( 33276 PWs) bands (ev): -72.0500 -72.0500 -72.0500 -72.0500 -39.0040 -39.0040 -39.0040 -39.0040 -38.7167 -38.7167 -38.7167 -38.7167 -38.7141 -38.7141 -38.7141 -38.7141 -16.1218 -16.1218 -16.1218 -16.1218 -8.3454 -8.3454 -8.3454 -8.3454 -7.8830 -7.8830 -7.8830 -7.8830 -7.8812 -7.8812 -7.8812 -7.8812 -4.8959 -4.8959 -4.8959 -4.8959 -3.4800 -3.4800 -3.4800 -3.4800 -3.4597 -3.4597 -3.4597 -3.4597 -0.4458 -0.4458 -0.4458 -0.4458 0.7053 0.7053 0.7053 0.7053 0.9678 0.9678 0.9678 0.9678 1.2985 1.2985 1.2985 1.2985 2.3304 2.3304 2.3304 2.3304 2.3922 2.3922 2.3922 2.3922 2.6276 2.6276 2.6276 2.6276 3.0142 3.0142 3.0142 3.0142 3.2404 3.2404 3.2404 3.2404 6.7693 6.7693 6.7693 6.7693 7.9417 7.9417 7.9417 7.9417 7.9512 7.9512 7.9512 7.9512 8.0978 8.0978 8.0978 8.0978 k = 0.0652 0.0377 0.5852 ( 33270 PWs) bands (ev): -72.0500 -72.0500 -72.0500 -72.0500 -39.0040 -39.0040 -39.0040 -39.0040 -38.7167 -38.7167 -38.7167 -38.7167 -38.7141 -38.7141 -38.7141 -38.7141 -16.1218 -16.1218 -16.1218 -16.1218 -8.3439 -8.3439 -8.3439 -8.3439 -7.8853 -7.8853 -7.8853 -7.8853 -7.8814 -7.8814 -7.8814 -7.8814 -4.8953 -4.8953 -4.8953 -4.8953 -3.4787 -3.4787 -3.4787 -3.4787 -3.4590 -3.4590 -3.4590 -3.4590 -0.4395 -0.4395 -0.4395 -0.4395 0.7039 0.7039 0.7039 0.7039 0.9670 0.9670 0.9670 0.9670 1.3006 1.3006 1.3006 1.3006 2.3240 2.3240 2.3240 2.3240 2.3919 2.3919 2.3919 2.3919 2.6180 2.6180 2.6180 2.6180 3.0082 3.0082 3.0082 3.0082 3.2299 3.2299 3.2299 3.2299 6.7828 6.7828 6.7828 6.7828 7.9504 7.9504 7.9504 7.9504 7.9650 7.9650 7.9650 7.9650 8.1219 8.1219 8.1219 8.1219 k = 0.0870 0.0502 0.5852 ( 33264 PWs) bands (ev): -72.0500 -72.0500 -72.0500 -72.0500 -39.0040 -39.0040 -39.0040 -39.0040 -38.7167 -38.7167 -38.7167 -38.7167 -38.7141 -38.7141 -38.7141 -38.7141 -16.1218 -16.1218 -16.1218 -16.1218 -8.3418 -8.3418 -8.3418 -8.3418 -7.8885 -7.8885 -7.8885 -7.8885 -7.8815 -7.8815 -7.8815 -7.8815 -4.8944 -4.8944 -4.8944 -4.8944 -3.4769 -3.4769 -3.4769 -3.4769 -3.4580 -3.4580 -3.4580 -3.4580 -0.4306 -0.4306 -0.4306 -0.4306 0.7018 0.7018 0.7018 0.7018 0.9661 0.9661 0.9661 0.9661 1.3034 1.3034 1.3034 1.3034 2.3155 2.3155 2.3155 2.3155 2.3911 2.3911 2.3911 2.3911 2.6046 2.6046 2.6046 2.6046 3.0000 3.0000 3.0000 3.0000 3.2159 3.2159 3.2159 3.2159 6.8014 6.8014 6.8014 6.8014 7.9616 7.9616 7.9616 7.9616 7.9843 7.9843 7.9843 7.9843 8.1552 8.1552 8.1552 8.1552 k = 0.1087 0.0628 0.5852 ( 33270 PWs) bands (ev): -72.0500 -72.0500 -72.0500 -72.0500 -39.0040 -39.0040 -39.0040 -39.0040 -38.7167 -38.7167 -38.7167 -38.7167 -38.7141 -38.7141 -38.7141 -38.7141 -16.1218 -16.1218 -16.1218 -16.1218 -8.3392 -8.3392 -8.3392 -8.3392 -7.8925 -7.8925 -7.8925 -7.8925 -7.8817 -7.8817 -7.8817 -7.8817 -4.8933 -4.8933 -4.8933 -4.8933 -3.4747 -3.4747 -3.4747 -3.4747 -3.4568 -3.4568 -3.4568 -3.4568 -0.4195 -0.4195 -0.4195 -0.4195 0.6991 0.6991 0.6991 0.6991 0.9654 0.9654 0.9654 0.9654 1.3070 1.3070 1.3070 1.3070 2.3048 2.3048 2.3048 2.3048 2.3896 2.3896 2.3896 2.3896 2.5878 2.5878 2.5878 2.5878 2.9897 2.9897 2.9897 2.9897 3.1990 3.1990 3.1990 3.1990 6.8249 6.8249 6.8249 6.8249 7.9753 7.9753 7.9753 7.9753 8.0087 8.0087 8.0087 8.0087 8.1972 8.1972 8.1972 8.1972 k = 0.1304 0.0753 0.5852 ( 33252 PWs) bands (ev): -72.0500 -72.0500 -72.0500 -72.0500 -39.0040 -39.0040 -39.0040 -39.0040 -38.7167 -38.7167 -38.7167 -38.7167 -38.7141 -38.7141 -38.7141 -38.7141 -16.1218 -16.1218 -16.1218 -16.1218 -8.3360 -8.3360 -8.3360 -8.3360 -7.8973 -7.8973 -7.8973 -7.8973 -7.8819 -7.8819 -7.8819 -7.8819 -4.8920 -4.8920 -4.8920 -4.8920 -3.4721 -3.4721 -3.4721 -3.4721 -3.4553 -3.4553 -3.4553 -3.4553 -0.4061 -0.4061 -0.4061 -0.4061 0.6957 0.6957 0.6957 0.6957 0.9649 0.9649 0.9649 0.9649 1.3111 1.3111 1.3111 1.3111 2.2921 2.2921 2.2921 2.2921 2.3871 2.3871 2.3871 2.3871 2.5678 2.5678 2.5678 2.5678 2.9776 2.9776 2.9776 2.9776 3.1800 3.1800 3.1800 3.1800 6.8530 6.8530 6.8530 6.8530 7.9912 7.9912 7.9912 7.9912 8.0374 8.0374 8.0374 8.0374 8.2470 8.2470 8.2470 8.2470 k = 0.1522 0.0879 0.5852 ( 33272 PWs) bands (ev): -72.0500 -72.0500 -72.0500 -72.0500 -39.0040 -39.0040 -39.0040 -39.0040 -38.7167 -38.7167 -38.7167 -38.7167 -38.7141 -38.7141 -38.7141 -38.7141 -16.1218 -16.1218 -16.1218 -16.1218 -8.3323 -8.3323 -8.3323 -8.3323 -7.9028 -7.9028 -7.9028 -7.9028 -7.8822 -7.8822 -7.8822 -7.8822 -4.8906 -4.8906 -4.8906 -4.8906 -3.4693 -3.4693 -3.4693 -3.4693 -3.4534 -3.4534 -3.4534 -3.4534 -0.3907 -0.3907 -0.3907 -0.3907 0.6915 0.6915 0.6915 0.6915 0.9648 0.9648 0.9648 0.9648 1.3158 1.3158 1.3158 1.3158 2.2774 2.2774 2.2774 2.2774 2.3834 2.3834 2.3834 2.3834 2.5452 2.5452 2.5452 2.5452 2.9638 2.9638 2.9638 2.9638 3.1598 3.1598 3.1598 3.1598 6.8852 6.8852 6.8852 6.8852 8.0092 8.0092 8.0092 8.0092 8.0699 8.0699 8.0699 8.0699 8.3038 8.3038 8.3038 8.3038 k = 0.1739 0.1004 0.5852 ( 33272 PWs) bands (ev): -72.0500 -72.0500 -72.0500 -72.0500 -39.0040 -39.0040 -39.0040 -39.0040 -38.7167 -38.7167 -38.7167 -38.7167 -38.7141 -38.7141 -38.7141 -38.7141 -16.1217 -16.1217 -16.1217 -16.1217 -8.3281 -8.3281 -8.3281 -8.3281 -7.9091 -7.9091 -7.9091 -7.9091 -7.8825 -7.8825 -7.8825 -7.8825 -4.8890 -4.8890 -4.8890 -4.8890 -3.4664 -3.4664 -3.4664 -3.4664 -3.4512 -3.4512 -3.4512 -3.4512 -0.3734 -0.3734 -0.3734 -0.3734 0.6866 0.6866 0.6866 0.6866 0.9654 0.9654 0.9654 0.9654 1.3210 1.3210 1.3210 1.3210 2.2607 2.2607 2.2607 2.2607 2.3781 2.3781 2.3781 2.3781 2.5207 2.5207 2.5207 2.5207 2.9485 2.9485 2.9485 2.9485 3.1391 3.1391 3.1391 3.1391 6.9213 6.9213 6.9213 6.9213 8.0290 8.0290 8.0290 8.0290 8.1054 8.1054 8.1054 8.1054 8.3663 8.3663 8.3663 8.3663 k = 0.1957 0.1130 0.5852 ( 33254 PWs) bands (ev): -72.0500 -72.0500 -72.0500 -72.0500 -39.0040 -39.0040 -39.0040 -39.0040 -38.7167 -38.7167 -38.7167 -38.7167 -38.7141 -38.7141 -38.7141 -38.7141 -16.1217 -16.1217 -16.1217 -16.1217 -8.3234 -8.3234 -8.3234 -8.3234 -7.9159 -7.9159 -7.9159 -7.9159 -7.8828 -7.8828 -7.8828 -7.8828 -4.8873 -4.8873 -4.8873 -4.8873 -3.4635 -3.4635 -3.4635 -3.4635 -3.4485 -3.4485 -3.4485 -3.4485 -0.3545 -0.3545 -0.3545 -0.3545 0.6810 0.6810 0.6810 0.6810 0.9667 0.9667 0.9667 0.9667 1.3266 1.3266 1.3266 1.3266 2.2419 2.2419 2.2419 2.2419 2.3706 2.3706 2.3706 2.3706 2.4957 2.4957 2.4957 2.4957 2.9319 2.9319 2.9319 2.9319 3.1187 3.1187 3.1187 3.1187 6.9609 6.9609 6.9609 6.9609 8.0502 8.0502 8.0502 8.0502 8.1432 8.1432 8.1432 8.1432 8.4332 8.4332 8.4332 8.4332 k = 0.2174 0.1255 0.5852 ( 33246 PWs) bands (ev): -72.0500 -72.0500 -72.0500 -72.0500 -39.0040 -39.0040 -39.0040 -39.0040 -38.7167 -38.7167 -38.7167 -38.7167 -38.7141 -38.7141 -38.7141 -38.7141 -16.1217 -16.1217 -16.1217 -16.1217 -8.3184 -8.3184 -8.3184 -8.3184 -7.9232 -7.9232 -7.9232 -7.9232 -7.8832 -7.8832 -7.8832 -7.8832 -4.8855 -4.8855 -4.8855 -4.8855 -3.4607 -3.4607 -3.4607 -3.4607 -3.4455 -3.4455 -3.4455 -3.4455 -0.3343 -0.3343 -0.3343 -0.3343 0.6749 0.6749 0.6749 0.6749 0.9687 0.9687 0.9687 0.9687 1.3325 1.3325 1.3325 1.3325 2.2210 2.2210 2.2210 2.2210 2.3602 2.3602 2.3602 2.3602 2.4716 2.4716 2.4716 2.4716 2.9145 2.9145 2.9145 2.9145 3.0991 3.0991 3.0991 3.0991 7.0034 7.0034 7.0034 7.0034 8.0727 8.0727 8.0727 8.0727 8.1827 8.1827 8.1827 8.1827 8.5027 8.5027 8.5027 8.5027 k = 0.2391 0.1381 0.5852 ( 33230 PWs) bands (ev): -72.0500 -72.0500 -72.0500 -72.0500 -39.0040 -39.0040 -39.0040 -39.0040 -38.7167 -38.7167 -38.7167 -38.7167 -38.7141 -38.7141 -38.7141 -38.7141 -16.1217 -16.1217 -16.1217 -16.1217 -8.3130 -8.3130 -8.3130 -8.3130 -7.9309 -7.9309 -7.9309 -7.9309 -7.8835 -7.8835 -7.8835 -7.8835 -4.8837 -4.8837 -4.8837 -4.8837 -3.4581 -3.4581 -3.4581 -3.4581 -3.4421 -3.4421 -3.4421 -3.4421 -0.3130 -0.3130 -0.3130 -0.3130 0.6685 0.6685 0.6685 0.6685 0.9714 0.9714 0.9714 0.9714 1.3386 1.3386 1.3386 1.3386 2.1977 2.1977 2.1977 2.1977 2.3460 2.3460 2.3460 2.3460 2.4502 2.4502 2.4502 2.4502 2.8964 2.8964 2.8964 2.8964 3.0808 3.0808 3.0808 3.0808 7.0484 7.0484 7.0484 7.0484 8.0960 8.0960 8.0960 8.0960 8.2232 8.2232 8.2232 8.2232 8.5728 8.5728 8.5728 8.5728 k = 0.2609 0.1506 0.5852 ( 33230 PWs) bands (ev): -72.0500 -72.0500 -72.0500 -72.0500 -39.0040 -39.0040 -39.0040 -39.0040 -38.7167 -38.7167 -38.7167 -38.7167 -38.7141 -38.7141 -38.7141 -38.7141 -16.1217 -16.1217 -16.1217 -16.1217 -8.3073 -8.3073 -8.3073 -8.3073 -7.9389 -7.9389 -7.9389 -7.9389 -7.8838 -7.8838 -7.8838 -7.8838 -4.8818 -4.8818 -4.8818 -4.8818 -3.4557 -3.4557 -3.4557 -3.4557 -3.4385 -3.4385 -3.4385 -3.4385 -0.2911 -0.2911 -0.2911 -0.2911 0.6618 0.6618 0.6618 0.6618 0.9748 0.9748 0.9748 0.9748 1.3449 1.3449 1.3449 1.3449 2.1721 2.1721 2.1721 2.1721 2.3278 2.3278 2.3278 2.3278 2.4326 2.4326 2.4326 2.4326 2.8782 2.8782 2.8782 2.8782 3.0641 3.0641 3.0641 3.0641 7.0955 7.0955 7.0955 7.0955 8.1196 8.1196 8.1196 8.1196 8.2641 8.2641 8.2641 8.2641 8.6405 8.6405 8.6405 8.6405 k = 0.2826 0.1632 0.5852 ( 33256 PWs) bands (ev): -72.0500 -72.0500 -72.0500 -72.0500 -39.0040 -39.0040 -39.0040 -39.0040 -38.7167 -38.7167 -38.7167 -38.7167 -38.7141 -38.7141 -38.7141 -38.7141 -16.1217 -16.1217 -16.1217 -16.1217 -8.3015 -8.3015 -8.3015 -8.3015 -7.9470 -7.9470 -7.9470 -7.9470 -7.8842 -7.8842 -7.8842 -7.8842 -4.8800 -4.8800 -4.8800 -4.8800 -3.4535 -3.4535 -3.4535 -3.4535 -3.4346 -3.4346 -3.4346 -3.4346 -0.2688 -0.2688 -0.2688 -0.2688 0.6553 0.6553 0.6553 0.6553 0.9786 0.9786 0.9786 0.9786 1.3513 1.3513 1.3513 1.3513 2.1443 2.1443 2.1443 2.1443 2.3067 2.3067 2.3067 2.3067 2.4190 2.4190 2.4190 2.4190 2.8602 2.8602 2.8602 2.8602 3.0491 3.0491 3.0491 3.0491 7.1440 7.1440 7.1440 7.1440 8.1431 8.1431 8.1431 8.1431 8.3046 8.3046 8.3046 8.3046 8.7023 8.7023 8.7023 8.7023 k = 0.3043 0.1757 0.5852 ( 33246 PWs) bands (ev): -72.0500 -72.0500 -72.0500 -72.0500 -39.0040 -39.0040 -39.0040 -39.0040 -38.7167 -38.7167 -38.7167 -38.7167 -38.7141 -38.7141 -38.7141 -38.7141 -16.1217 -16.1217 -16.1217 -16.1217 -8.2956 -8.2956 -8.2956 -8.2956 -7.9552 -7.9552 -7.9552 -7.9552 -7.8845 -7.8845 -7.8845 -7.8845 -4.8782 -4.8782 -4.8782 -4.8782 -3.4515 -3.4515 -3.4515 -3.4515 -3.4308 -3.4308 -3.4308 -3.4308 -0.2467 -0.2467 -0.2467 -0.2467 0.6489 0.6489 0.6489 0.6489 0.9829 0.9829 0.9829 0.9829 1.3576 1.3576 1.3576 1.3576 2.1147 2.1147 2.1147 2.1147 2.2843 2.2843 2.2843 2.2843 2.4084 2.4084 2.4084 2.4084 2.8430 2.8430 2.8430 2.8430 3.0358 3.0358 3.0358 3.0358 7.1934 7.1934 7.1934 7.1934 8.1657 8.1657 8.1657 8.1657 8.3443 8.3443 8.3443 8.3443 8.7536 8.7536 8.7536 8.7536 k = 0.3261 0.1883 0.5852 ( 33240 PWs) bands (ev): -72.0500 -72.0500 -72.0500 -72.0500 -39.0040 -39.0040 -39.0040 -39.0040 -38.7167 -38.7167 -38.7167 -38.7167 -38.7141 -38.7141 -38.7141 -38.7141 -16.1217 -16.1217 -16.1217 -16.1217 -8.2896 -8.2896 -8.2896 -8.2896 -7.9633 -7.9633 -7.9632 -7.9632 -7.8848 -7.8848 -7.8848 -7.8848 -4.8766 -4.8766 -4.8766 -4.8766 -3.4498 -3.4498 -3.4498 -3.4498 -3.4270 -3.4270 -3.4270 -3.4270 -0.2252 -0.2252 -0.2252 -0.2252 0.6431 0.6431 0.6431 0.6431 0.9873 0.9873 0.9873 0.9873 1.3638 1.3638 1.3638 1.3638 2.0839 2.0839 2.0839 2.0839 2.2622 2.2622 2.2622 2.2622 2.3999 2.3999 2.3999 2.3999 2.8268 2.8268 2.8268 2.8268 3.0241 3.0241 3.0241 3.0241 7.2429 7.2429 7.2429 7.2429 8.1868 8.1868 8.1868 8.1868 8.3824 8.3824 8.3824 8.3824 8.7902 8.7902 8.7902 8.7902 k = 0.3478 0.2008 0.5852 ( 33248 PWs) bands (ev): -72.0500 -72.0500 -72.0500 -72.0500 -39.0040 -39.0040 -39.0040 -39.0040 -38.7167 -38.7167 -38.7167 -38.7167 -38.7141 -38.7141 -38.7141 -38.7141 -16.1217 -16.1217 -16.1217 -16.1217 -8.2838 -8.2838 -8.2838 -8.2838 -7.9710 -7.9710 -7.9710 -7.9710 -7.8851 -7.8851 -7.8851 -7.8851 -4.8750 -4.8750 -4.8750 -4.8750 -3.4482 -3.4482 -3.4482 -3.4482 -3.4233 -3.4233 -3.4233 -3.4233 -0.2047 -0.2047 -0.2047 -0.2047 0.6379 0.6379 0.6379 0.6379 0.9916 0.9916 0.9916 0.9916 1.3698 1.3698 1.3698 1.3698 2.0531 2.0531 2.0531 2.0531 2.2415 2.2415 2.2415 2.2415 2.3929 2.3929 2.3929 2.3929 2.8120 2.8120 2.8120 2.8120 3.0139 3.0139 3.0139 3.0139 7.2916 7.2916 7.2916 7.2916 8.2054 8.2054 8.2054 8.2054 8.4184 8.4184 8.4184 8.4184 8.8112 8.8112 8.8112 8.8112 k = 0.3696 0.2134 0.5852 ( 33252 PWs) bands (ev): -72.0500 -72.0500 -72.0500 -72.0500 -39.0040 -39.0040 -39.0040 -39.0040 -38.7167 -38.7167 -38.7167 -38.7167 -38.7141 -38.7141 -38.7141 -38.7141 -16.1216 -16.1216 -16.1216 -16.1216 -8.2783 -8.2783 -8.2783 -8.2783 -7.9783 -7.9783 -7.9783 -7.9783 -7.8854 -7.8854 -7.8854 -7.8854 -4.8736 -4.8736 -4.8736 -4.8736 -3.4467 -3.4467 -3.4467 -3.4467 -3.4200 -3.4200 -3.4200 -3.4200 -0.1857 -0.1857 -0.1857 -0.1857 0.6334 0.6334 0.6334 0.6334 0.9958 0.9958 0.9958 0.9958 1.3754 1.3754 1.3754 1.3754 2.0232 2.0232 2.0232 2.0232 2.2226 2.2226 2.2226 2.2226 2.3870 2.3870 2.3870 2.3870 2.7989 2.7989 2.7989 2.7989 3.0053 3.0053 3.0053 3.0053 7.3387 7.3387 7.3387 7.3387 8.2208 8.2208 8.2208 8.2208 8.4516 8.4516 8.4516 8.4516 8.8195 8.8195 8.8195 8.8195 k = 0.3913 0.2259 0.5852 ( 33266 PWs) bands (ev): -72.0500 -72.0500 -72.0500 -72.0500 -39.0040 -39.0040 -39.0040 -39.0040 -38.7167 -38.7167 -38.7167 -38.7167 -38.7141 -38.7141 -38.7141 -38.7141 -16.1216 -16.1216 -16.1216 -16.1216 -8.2733 -8.2733 -8.2733 -8.2733 -7.9850 -7.9850 -7.9850 -7.9850 -7.8856 -7.8856 -7.8856 -7.8856 -4.8723 -4.8723 -4.8723 -4.8723 -3.4455 -3.4455 -3.4455 -3.4455 -3.4170 -3.4170 -3.4170 -3.4170 -0.1688 -0.1688 -0.1688 -0.1688 0.6298 0.6298 0.6298 0.6298 0.9996 0.9996 0.9996 0.9996 1.3805 1.3805 1.3805 1.3805 1.9955 1.9955 1.9955 1.9955 2.2062 2.2062 2.2062 2.2062 2.3819 2.3819 2.3819 2.3819 2.7877 2.7877 2.7877 2.7877 2.9981 2.9981 2.9981 2.9981 7.3827 7.3827 7.3827 7.3827 8.2322 8.2322 8.2322 8.2322 8.4813 8.4813 8.4813 8.4813 8.8200 8.8200 8.8200 8.8200 k = 0.4130 0.2385 0.5852 ( 33254 PWs) bands (ev): -72.0500 -72.0500 -72.0500 -72.0500 -39.0040 -39.0040 -39.0040 -39.0040 -38.7167 -38.7167 -38.7167 -38.7167 -38.7141 -38.7141 -38.7141 -38.7141 -16.1216 -16.1216 -16.1216 -16.1216 -8.2688 -8.2688 -8.2688 -8.2688 -7.9908 -7.9908 -7.9908 -7.9908 -7.8858 -7.8858 -7.8858 -7.8858 -4.8713 -4.8713 -4.8713 -4.8713 -3.4445 -3.4445 -3.4445 -3.4445 -3.4145 -3.4145 -3.4145 -3.4145 -0.1542 -0.1542 -0.1542 -0.1542 0.6270 0.6270 0.6270 0.6270 1.0028 1.0028 1.0028 1.0028 1.3850 1.3850 1.3850 1.3850 1.9710 1.9710 1.9710 1.9710 2.1924 2.1924 2.1924 2.1924 2.3778 2.3778 2.3778 2.3778 2.7784 2.7784 2.7784 2.7784 2.9922 2.9922 2.9922 2.9922 7.4224 7.4224 7.4224 7.4224 8.2395 8.2395 8.2395 8.2395 8.5068 8.5068 8.5068 8.5068 8.8172 8.8172 8.8172 8.8172 k = 0.4348 0.2510 0.5852 ( 33246 PWs) bands (ev): -72.0500 -72.0500 -72.0500 -72.0500 -39.0040 -39.0040 -39.0040 -39.0040 -38.7167 -38.7167 -38.7167 -38.7167 -38.7141 -38.7141 -38.7141 -38.7141 -16.1216 -16.1216 -16.1216 -16.1216 -8.2651 -8.2651 -8.2651 -8.2651 -7.9955 -7.9955 -7.9955 -7.9955 -7.8860 -7.8860 -7.8860 -7.8860 -4.8705 -4.8705 -4.8705 -4.8705 -3.4437 -3.4437 -3.4437 -3.4437 -3.4125 -3.4125 -3.4125 -3.4125 -0.1425 -0.1425 -0.1425 -0.1425 0.6249 0.6249 0.6249 0.6249 1.0055 1.0055 1.0055 1.0055 1.3886 1.3886 1.3886 1.3886 1.9509 1.9509 1.9509 1.9509 2.1813 2.1813 2.1813 2.1813 2.3745 2.3745 2.3745 2.3745 2.7711 2.7711 2.7711 2.7711 2.9877 2.9877 2.9877 2.9877 7.4560 7.4560 7.4560 7.4560 8.2431 8.2431 8.2431 8.2431 8.5275 8.5275 8.5275 8.5275 8.8140 8.8140 8.8140 8.8140 k = 0.4565 0.2636 0.5852 ( 33236 PWs) bands (ev): -72.0500 -72.0500 -72.0500 -72.0500 -39.0040 -39.0040 -39.0040 -39.0040 -38.7167 -38.7167 -38.7167 -38.7167 -38.7141 -38.7141 -38.7141 -38.7141 -16.1216 -16.1216 -16.1216 -16.1216 -8.2623 -8.2623 -8.2623 -8.2623 -7.9991 -7.9991 -7.9991 -7.9991 -7.8861 -7.8861 -7.8861 -7.8861 -4.8699 -4.8699 -4.8699 -4.8699 -3.4432 -3.4432 -3.4432 -3.4432 -3.4110 -3.4110 -3.4110 -3.4110 -0.1338 -0.1338 -0.1338 -0.1338 0.6235 0.6235 0.6235 0.6235 1.0074 1.0074 1.0074 1.0074 1.3914 1.3914 1.3914 1.3914 1.9359 1.9359 1.9359 1.9359 2.1733 2.1733 2.1733 2.1733 2.3721 2.3721 2.3721 2.3721 2.7659 2.7659 2.7659 2.7659 2.9845 2.9845 2.9845 2.9845 7.4818 7.4818 7.4818 7.4818 8.2440 8.2440 8.2440 8.2440 8.5428 8.5428 8.5428 8.5428 8.8117 8.8117 8.8117 8.8117 k = 0.4783 0.2761 0.5852 ( 33248 PWs) bands (ev): -72.0500 -72.0500 -72.0500 -72.0500 -39.0040 -39.0040 -39.0040 -39.0040 -38.7167 -38.7167 -38.7167 -38.7167 -38.7141 -38.7141 -38.7141 -38.7141 -16.1216 -16.1216 -16.1216 -16.1216 -8.2606 -8.2606 -8.2606 -8.2606 -8.0012 -8.0012 -8.0012 -8.0012 -7.8861 -7.8861 -7.8861 -7.8861 -4.8695 -4.8695 -4.8695 -4.8695 -3.4428 -3.4428 -3.4428 -3.4428 -3.4101 -3.4101 -3.4101 -3.4101 -0.1286 -0.1286 -0.1286 -0.1286 0.6227 0.6227 0.6227 0.6227 1.0086 1.0086 1.0086 1.0086 1.3931 1.3931 1.3931 1.3931 1.9266 1.9266 1.9266 1.9266 2.1685 2.1685 2.1685 2.1685 2.3707 2.3707 2.3707 2.3707 2.7627 2.7627 2.7627 2.7627 2.9826 2.9826 2.9826 2.9826 7.4981 7.4981 7.4981 7.4981 8.2438 8.2438 8.2438 8.2438 8.5521 8.5521 8.5521 8.5521 8.8106 8.8106 8.8106 8.8106 k = 0.5000 0.2887 0.5852 ( 33260 PWs) bands (ev): -72.0500 -72.0500 -72.0500 -72.0500 -39.0040 -39.0040 -39.0040 -39.0040 -38.7167 -38.7167 -38.7167 -38.7167 -38.7141 -38.7141 -38.7141 -38.7141 -16.1216 -16.1216 -16.1216 -16.1216 -8.2600 -8.2600 -8.2600 -8.2600 -8.0020 -8.0020 -8.0020 -8.0020 -7.8862 -7.8862 -7.8862 -7.8862 -4.8694 -4.8694 -4.8694 -4.8694 -3.4427 -3.4427 -3.4427 -3.4427 -3.4098 -3.4098 -3.4098 -3.4098 -0.1268 -0.1268 -0.1268 -0.1268 0.6225 0.6225 0.6225 0.6225 1.0090 1.0090 1.0090 1.0090 1.3936 1.3936 1.3936 1.3936 1.9235 1.9235 1.9235 1.9235 2.1668 2.1668 2.1668 2.1668 2.3702 2.3702 2.3702 2.3702 2.7617 2.7617 2.7617 2.7617 2.9820 2.9820 2.9820 2.9820 7.5037 7.5037 7.5037 7.5037 8.2435 8.2435 8.2435 8.2435 8.5553 8.5553 8.5553 8.5553 8.8103 8.8103 8.8103 8.8103 k = 0.5000 0.2887 0.5852 ( 33260 PWs) bands (ev): -72.0500 -72.0500 -72.0500 -72.0500 -39.0040 -39.0040 -39.0040 -39.0040 -38.7167 -38.7167 -38.7167 -38.7167 -38.7141 -38.7141 -38.7141 -38.7141 -16.1216 -16.1216 -16.1216 -16.1216 -8.2600 -8.2600 -8.2600 -8.2600 -8.0020 -8.0020 -8.0020 -8.0020 -7.8862 -7.8862 -7.8862 -7.8862 -4.8694 -4.8694 -4.8694 -4.8694 -3.4427 -3.4427 -3.4427 -3.4427 -3.4098 -3.4098 -3.4098 -3.4098 -0.1268 -0.1268 -0.1268 -0.1268 0.6225 0.6225 0.6225 0.6225 1.0090 1.0090 1.0090 1.0090 1.3936 1.3936 1.3936 1.3936 1.9235 1.9235 1.9235 1.9235 2.1668 2.1668 2.1668 2.1668 2.3702 2.3702 2.3702 2.3702 2.7617 2.7617 2.7617 2.7617 2.9820 2.9820 2.9820 2.9820 7.5037 7.5037 7.5037 7.5037 8.2435 8.2435 8.2435 8.2435 8.5553 8.5553 8.5553 8.5553 8.8103 8.8103 8.8103 8.8103 k = 0.4872 0.3109 0.5852 ( 33260 PWs) bands (ev): -72.0500 -72.0500 -72.0500 -72.0500 -39.0040 -39.0040 -39.0040 -39.0040 -38.7167 -38.7167 -38.7167 -38.7167 -38.7141 -38.7141 -38.7141 -38.7141 -16.1216 -16.1216 -16.1216 -16.1216 -8.2598 -8.2598 -8.2597 -8.2597 -8.0025 -8.0025 -8.0023 -8.0023 -7.8861 -7.8861 -7.8860 -7.8860 -4.8694 -4.8694 -4.8693 -4.8693 -3.4425 -3.4425 -3.4425 -3.4425 -3.4100 -3.4100 -3.4097 -3.4097 -0.1295 -0.1295 -0.1223 -0.1223 0.6194 0.6194 0.6258 0.6258 0.9921 0.9921 1.0239 1.0239 1.3742 1.3742 1.4121 1.4121 1.9244 1.9244 1.9248 1.9248 2.1574 2.1574 2.1772 2.1772 2.3695 2.3695 2.3702 2.3702 2.7577 2.7577 2.7646 2.7646 2.9748 2.9748 2.9847 2.9847 7.5041 7.5041 7.5070 7.5070 8.2445 8.2445 8.2490 8.2490 8.5560 8.5560 8.5571 8.5571 8.8116 8.8116 8.8151 8.8151 k = 0.4744 0.3331 0.5852 ( 33258 PWs) bands (ev): -72.0500 -72.0500 -72.0500 -72.0500 -39.0040 -39.0040 -39.0040 -39.0040 -38.7167 -38.7167 -38.7167 -38.7167 -38.7141 -38.7141 -38.7141 -38.7141 -16.1216 -16.1216 -16.1216 -16.1216 -8.2592 -8.2592 -8.2590 -8.2590 -8.0037 -8.0037 -8.0033 -8.0033 -7.8859 -7.8859 -7.8858 -7.8858 -4.8693 -4.8693 -4.8691 -4.8691 -3.4420 -3.4420 -3.4420 -3.4420 -3.4103 -3.4103 -3.4096 -3.4096 -0.1304 -0.1304 -0.1160 -0.1160 0.6166 0.6166 0.6294 0.6294 0.9737 0.9737 1.0366 1.0366 1.3542 1.3542 1.4292 1.4292 1.9276 1.9276 1.9285 1.9285 2.1489 2.1489 2.1883 2.1883 2.3679 2.3680 2.3695 2.3695 2.7524 2.7524 2.7665 2.7665 2.9635 2.9635 2.9829 2.9829 7.5081 7.5081 7.5138 7.5138 8.2517 8.2517 8.2606 8.2606 8.5592 8.5592 8.5615 8.5615 8.8189 8.8189 8.8258 8.8258 k = 0.4615 0.3553 0.5852 ( 33238 PWs) bands (ev): -72.0500 -72.0500 -72.0500 -72.0500 -39.0040 -39.0040 -39.0040 -39.0040 -38.7167 -38.7167 -38.7167 -38.7167 -38.7141 -38.7141 -38.7141 -38.7141 -16.1216 -16.1216 -16.1216 -16.1216 -8.2582 -8.2582 -8.2578 -8.2578 -8.0056 -8.0056 -8.0049 -8.0049 -7.8856 -7.8856 -7.8853 -7.8853 -4.8691 -4.8691 -4.8689 -4.8689 -3.4412 -3.4412 -3.4412 -3.4412 -3.4106 -3.4106 -3.4097 -3.4097 -0.1296 -0.1296 -0.1080 -0.1080 0.6139 0.6139 0.6334 0.6334 0.9542 0.9542 1.0468 1.0468 1.3342 1.3342 1.4448 1.4448 1.9328 1.9328 1.9344 1.9344 2.1412 2.1412 2.2003 2.2003 2.3656 2.3656 2.3682 2.3682 2.7457 2.7457 2.7676 2.7676 2.9485 2.9485 2.9770 2.9770 7.5155 7.5155 7.5241 7.5241 8.2646 8.2646 8.2775 8.2775 8.5652 8.5652 8.5687 8.5687 8.8312 8.8312 8.8416 8.8416 k = 0.4487 0.3775 0.5852 ( 33236 PWs) bands (ev): -72.0500 -72.0500 -72.0500 -72.0500 -39.0040 -39.0040 -39.0040 -39.0040 -38.7167 -38.7167 -38.7167 -38.7167 -38.7141 -38.7141 -38.7141 -38.7141 -16.1216 -16.1216 -16.1216 -16.1216 -8.2567 -8.2567 -8.2562 -8.2562 -8.0081 -8.0081 -8.0072 -8.0072 -7.8851 -7.8851 -7.8848 -7.8848 -4.8688 -4.8688 -4.8686 -4.8686 -3.4401 -3.4401 -3.4401 -3.4401 -3.4110 -3.4110 -3.4098 -3.4098 -0.1273 -0.1273 -0.0986 -0.0986 0.6115 0.6115 0.6377 0.6377 0.9340 0.9340 1.0542 1.0542 1.3148 1.3148 1.4587 1.4587 1.9397 1.9397 1.9422 1.9422 2.1344 2.1344 2.2130 2.2130 2.3625 2.3625 2.3664 2.3664 2.7371 2.7371 2.7679 2.7679 2.9308 2.9308 2.9676 2.9676 7.5261 7.5261 7.5373 7.5373 8.2820 8.2820 8.2984 8.2984 8.5741 8.5741 8.5788 8.5788 8.8474 8.8474 8.8610 8.8610 k = 0.4359 0.3997 0.5852 ( 33244 PWs) bands (ev): -72.0500 -72.0500 -72.0500 -72.0500 -39.0040 -39.0040 -39.0040 -39.0040 -38.7167 -38.7167 -38.7167 -38.7167 -38.7141 -38.7141 -38.7141 -38.7141 -16.1216 -16.1216 -16.1216 -16.1216 -8.2549 -8.2549 -8.2543 -8.2543 -8.0111 -8.0111 -8.0100 -8.0100 -7.8846 -7.8846 -7.8843 -7.8843 -4.8685 -4.8685 -4.8682 -4.8682 -3.4388 -3.4388 -3.4387 -3.4387 -3.4115 -3.4115 -3.4099 -3.4099 -0.1238 -0.1238 -0.0879 -0.0879 0.6094 0.6094 0.6424 0.6424 0.9135 0.9135 1.0587 1.0587 1.2967 1.2967 1.4708 1.4708 1.9479 1.9479 1.9516 1.9516 2.1282 2.1282 2.2262 2.2262 2.3585 2.3585 2.3642 2.3642 2.7264 2.7264 2.7674 2.7674 2.9116 2.9116 2.9554 2.9554 7.5395 7.5395 7.5532 7.5532 8.3023 8.3023 8.3215 8.3215 8.5866 8.5866 8.5924 8.5924 8.8656 8.8656 8.8818 8.8818 k = 0.4231 0.4219 0.5852 ( 33252 PWs) bands (ev): -72.0500 -72.0500 -72.0500 -72.0500 -39.0040 -39.0040 -39.0040 -39.0040 -38.7167 -38.7167 -38.7167 -38.7167 -38.7141 -38.7141 -38.7141 -38.7141 -16.1216 -16.1216 -16.1216 -16.1216 -8.2528 -8.2528 -8.2521 -8.2521 -8.0144 -8.0144 -8.0131 -8.0131 -7.8840 -7.8840 -7.8837 -7.8837 -4.8682 -4.8682 -4.8678 -4.8678 -3.4373 -3.4373 -3.4371 -3.4371 -3.4121 -3.4121 -3.4101 -3.4101 -0.1192 -0.1192 -0.0764 -0.0764 0.6074 0.6074 0.6474 0.6474 0.8934 0.8934 1.0602 1.0602 1.2804 1.2804 1.4812 1.4812 1.9571 1.9571 1.9621 1.9621 2.1226 2.1226 2.2395 2.2395 2.3539 2.3539 2.3620 2.3620 2.7132 2.7132 2.7662 2.7662 2.8924 2.8924 2.9415 2.9415 7.5551 7.5551 7.5712 7.5712 8.3237 8.3237 8.3445 8.3445 8.6033 8.6033 8.6097 8.6097 8.8832 8.8832 8.9014 8.9014 k = 0.4103 0.4441 0.5852 ( 33248 PWs) bands (ev): -72.0500 -72.0500 -72.0500 -72.0500 -39.0040 -39.0040 -39.0040 -39.0040 -38.7167 -38.7167 -38.7167 -38.7167 -38.7141 -38.7141 -38.7141 -38.7141 -16.1216 -16.1216 -16.1216 -16.1216 -8.2506 -8.2506 -8.2497 -8.2497 -8.0179 -8.0179 -8.0164 -8.0164 -7.8835 -7.8835 -7.8831 -7.8831 -4.8678 -4.8678 -4.8674 -4.8674 -3.4358 -3.4358 -3.4354 -3.4354 -3.4127 -3.4127 -3.4104 -3.4104 -0.1141 -0.1141 -0.0645 -0.0645 0.6058 0.6058 0.6527 0.6527 0.8741 0.8741 1.0588 1.0588 1.2665 1.2665 1.4900 1.4900 1.9667 1.9667 1.9732 1.9732 2.1173 2.1173 2.2525 2.2525 2.3489 2.3489 2.3599 2.3599 2.6973 2.6973 2.7644 2.7644 2.8746 2.8746 2.9270 2.9270 7.5723 7.5723 7.5906 7.5906 8.3443 8.3443 8.3651 8.3651 8.6248 8.6248 8.6311 8.6311 8.8977 8.8977 8.9168 8.9168 k = 0.3974 0.4663 0.5852 ( 33248 PWs) bands (ev): -72.0500 -72.0500 -72.0500 -72.0500 -39.0040 -39.0040 -39.0040 -39.0040 -38.7167 -38.7167 -38.7167 -38.7167 -38.7141 -38.7141 -38.7141 -38.7141 -16.1216 -16.1216 -16.1216 -16.1216 -8.2483 -8.2483 -8.2473 -8.2473 -8.0214 -8.0214 -8.0198 -8.0198 -7.8830 -7.8830 -7.8826 -7.8826 -4.8674 -4.8674 -4.8670 -4.8670 -3.4342 -3.4342 -3.4337 -3.4337 -3.4134 -3.4134 -3.4106 -3.4106 -0.1087 -0.1087 -0.0527 -0.0527 0.6044 0.6044 0.6581 0.6581 0.8562 0.8562 1.0551 1.0551 1.2551 1.2551 1.4973 1.4973 1.9762 1.9762 1.9845 1.9845 2.1122 2.1122 2.2645 2.2645 2.3435 2.3435 2.3583 2.3583 2.6792 2.6792 2.7620 2.7620 2.8593 2.8593 2.9130 2.9130 7.5901 7.5901 7.6104 7.6104 8.3622 8.3622 8.3815 8.3815 8.6514 8.6514 8.6566 8.6566 8.9065 8.9065 8.9253 8.9253 k = 0.3846 0.4885 0.5852 ( 33236 PWs) bands (ev): -72.0500 -72.0500 -72.0500 -72.0500 -39.0040 -39.0040 -39.0040 -39.0040 -38.7167 -38.7167 -38.7167 -38.7167 -38.7141 -38.7141 -38.7141 -38.7141 -16.1216 -16.1216 -16.1216 -16.1216 -8.2461 -8.2461 -8.2450 -8.2450 -8.0247 -8.0247 -8.0229 -8.0229 -7.8826 -7.8826 -7.8821 -7.8821 -4.8671 -4.8671 -4.8666 -4.8666 -3.4327 -3.4327 -3.4320 -3.4320 -3.4140 -3.4140 -3.4109 -3.4109 -0.1034 -0.1034 -0.0417 -0.0417 0.6033 0.6033 0.6633 0.6633 0.8404 0.8404 1.0499 1.0499 1.2463 1.2463 1.5032 1.5032 1.9852 1.9852 1.9953 1.9953 2.1070 2.1070 2.2746 2.2746 2.3383 2.3383 2.3578 2.3578 2.6600 2.6600 2.7591 2.7591 2.8471 2.8471 2.9005 2.9005 7.6077 7.6077 7.6298 7.6298 8.3762 8.3762 8.3930 8.3930 8.6821 8.6821 8.6855 8.6855 8.9081 8.9081 8.9254 8.9254 k = 0.3718 0.5107 0.5852 ( 33232 PWs) bands (ev): -72.0500 -72.0500 -72.0500 -72.0500 -39.0040 -39.0040 -39.0040 -39.0040 -38.7167 -38.7167 -38.7167 -38.7167 -38.7141 -38.7141 -38.7141 -38.7141 -16.1216 -16.1216 -16.1216 -16.1216 -8.2441 -8.2441 -8.2429 -8.2429 -8.0275 -8.0275 -8.0257 -8.0257 -7.8823 -7.8823 -7.8818 -7.8818 -4.8668 -4.8668 -4.8663 -4.8663 -3.4314 -3.4314 -3.4304 -3.4304 -3.4146 -3.4146 -3.4110 -3.4110 -0.0986 -0.0986 -0.0321 -0.0321 0.6025 0.6025 0.6680 0.6680 0.8273 0.8273 1.0442 1.0442 1.2399 1.2399 1.5079 1.5079 1.9931 1.9931 2.0051 2.0051 2.1017 2.1017 2.2820 2.2820 2.3337 2.3337 2.3584 2.3584 2.6417 2.6417 2.7562 2.7562 2.8381 2.8381 2.8902 2.8902 7.6237 7.6237 7.6473 7.6473 8.3859 8.3859 8.3996 8.3996 8.7156 8.7156 8.7167 8.7167 8.9019 8.9019 8.9169 8.9169 k = 0.3590 0.5329 0.5852 ( 33248 PWs) bands (ev): -72.0500 -72.0500 -72.0500 -72.0500 -39.0040 -39.0040 -39.0040 -39.0040 -38.7167 -38.7167 -38.7167 -38.7167 -38.7141 -38.7141 -38.7141 -38.7141 -16.1216 -16.1216 -16.1216 -16.1216 -8.2425 -8.2425 -8.2413 -8.2413 -8.0298 -8.0298 -8.0279 -8.0279 -7.8820 -7.8820 -7.8816 -7.8816 -4.8665 -4.8665 -4.8660 -4.8660 -3.4304 -3.4304 -3.4291 -3.4291 -3.4151 -3.4151 -3.4112 -3.4112 -0.0948 -0.0948 -0.0245 -0.0245 0.6020 0.6020 0.6718 0.6718 0.8174 0.8174 1.0391 1.0391 1.2355 1.2355 1.5112 1.5112 1.9993 1.9993 2.0132 2.0132 2.0966 2.0966 2.2862 2.2862 2.3300 2.3300 2.3600 2.3600 2.6264 2.6264 2.7535 2.7535 2.8320 2.8320 2.8829 2.8829 7.6369 7.6369 7.6618 7.6618 8.3917 8.3917 8.4025 8.4025 8.7479 8.7479 8.7493 8.7493 8.8891 8.8891 8.9014 8.9014 k = 0.3462 0.5551 0.5852 ( 33242 PWs) bands (ev): -72.0500 -72.0500 -72.0500 -72.0500 -39.0040 -39.0040 -39.0040 -39.0040 -38.7167 -38.7167 -38.7167 -38.7167 -38.7141 -38.7141 -38.7141 -38.7141 -16.1216 -16.1216 -16.1216 -16.1216 -8.2414 -8.2414 -8.2402 -8.2402 -8.0313 -8.0313 -8.0293 -8.0293 -7.8819 -7.8819 -7.8814 -7.8814 -4.8664 -4.8664 -4.8658 -4.8658 -3.4298 -3.4298 -3.4283 -3.4283 -3.4154 -3.4154 -3.4112 -3.4112 -0.0923 -0.0923 -0.0197 -0.0197 0.6016 0.6016 0.6744 0.6744 0.8113 0.8113 1.0356 1.0356 1.2330 1.2330 1.5133 1.5133 2.0032 2.0032 2.0187 2.0187 2.0925 2.0925 2.2880 2.2880 2.3277 2.3277 2.3616 2.3616 2.6163 2.6163 2.7515 2.7515 2.8286 2.8286 2.8785 2.8785 7.6459 7.6459 7.6715 7.6715 8.3943 8.3943 8.4031 8.4031 8.7751 8.7751 8.7788 8.7788 8.8732 8.8732 8.8831 8.8831 k = 0.3333 0.5774 0.5852 ( 33246 PWs) bands (ev): -72.0500 -72.0500 -72.0500 -72.0500 -39.0040 -39.0040 -39.0040 -39.0040 -38.7167 -38.7167 -38.7167 -38.7167 -38.7141 -38.7141 -38.7141 -38.7141 -16.1216 -16.1216 -16.1216 -16.1216 -8.2411 -8.2411 -8.2398 -8.2398 -8.0319 -8.0319 -8.0299 -8.0299 -7.8819 -7.8819 -7.8814 -7.8814 -4.8663 -4.8663 -4.8658 -4.8658 -3.4296 -3.4296 -3.4280 -3.4280 -3.4155 -3.4155 -3.4112 -3.4112 -0.0914 -0.0914 -0.0179 -0.0179 0.6015 0.6015 0.6752 0.6752 0.8092 0.8092 1.0344 1.0344 1.2322 1.2322 1.5140 1.5140 2.0046 2.0046 2.0206 2.0206 2.0909 2.0909 2.2883 2.2883 2.3269 2.3269 2.3623 2.3623 2.6128 2.6128 2.7507 2.7507 2.8275 2.8275 2.8771 2.8771 7.6491 7.6491 7.6750 7.6750 8.3950 8.3950 8.4031 8.4031 8.7879 8.7879 8.7928 8.7928 8.8642 8.8642 8.8729 8.8729 k = 0.3333 0.5774 0.5852 ( 33246 PWs) bands (ev): -72.0500 -72.0500 -72.0500 -72.0500 -39.0040 -39.0040 -39.0040 -39.0040 -38.7167 -38.7167 -38.7167 -38.7167 -38.7141 -38.7141 -38.7141 -38.7141 -16.1216 -16.1216 -16.1216 -16.1216 -8.2411 -8.2411 -8.2398 -8.2398 -8.0319 -8.0319 -8.0299 -8.0299 -7.8819 -7.8819 -7.8814 -7.8814 -4.8663 -4.8663 -4.8658 -4.8658 -3.4296 -3.4296 -3.4280 -3.4280 -3.4155 -3.4155 -3.4112 -3.4112 -0.0914 -0.0914 -0.0179 -0.0179 0.6015 0.6015 0.6752 0.6752 0.8092 0.8092 1.0344 1.0344 1.2322 1.2322 1.5140 1.5140 2.0046 2.0046 2.0206 2.0206 2.0909 2.0909 2.2883 2.2883 2.3269 2.3269 2.3623 2.3623 2.6128 2.6128 2.7507 2.7507 2.8275 2.8275 2.8771 2.8771 7.6491 7.6491 7.6750 7.6750 8.3950 8.3950 8.4031 8.4031 8.7879 8.7879 8.7928 8.7928 8.8642 8.8642 8.8729 8.8729 k = 0.3205 0.5551 0.5852 ( 33224 PWs) bands (ev): -72.0500 -72.0500 -72.0500 -72.0500 -39.0040 -39.0040 -39.0040 -39.0040 -38.7167 -38.7167 -38.7167 -38.7167 -38.7141 -38.7141 -38.7141 -38.7141 -16.1216 -16.1216 -16.1216 -16.1216 -8.2415 -8.2415 -8.2402 -8.2402 -8.0313 -8.0313 -8.0293 -8.0293 -7.8819 -7.8819 -7.8814 -7.8814 -4.8664 -4.8664 -4.8658 -4.8658 -3.4298 -3.4298 -3.4283 -3.4283 -3.4154 -3.4154 -3.4112 -3.4112 -0.0923 -0.0923 -0.0197 -0.0197 0.6017 0.6017 0.6744 0.6744 0.8113 0.8113 1.0355 1.0355 1.2330 1.2330 1.5132 1.5132 2.0033 2.0033 2.0189 2.0189 2.0927 2.0927 2.2884 2.2884 2.3276 2.3276 2.3616 2.3616 2.6162 2.6162 2.7516 2.7516 2.8285 2.8285 2.8784 2.8784 7.6455 7.6455 7.6711 7.6711 8.3946 8.3946 8.4034 8.4034 8.7745 8.7745 8.7784 8.7784 8.8736 8.8736 8.8834 8.8834 k = 0.3077 0.5329 0.5852 ( 33218 PWs) bands (ev): -72.0500 -72.0500 -72.0500 -72.0500 -39.0040 -39.0040 -39.0040 -39.0040 -38.7167 -38.7167 -38.7167 -38.7167 -38.7141 -38.7141 -38.7141 -38.7141 -16.1216 -16.1216 -16.1216 -16.1216 -8.2428 -8.2428 -8.2415 -8.2415 -8.0295 -8.0295 -8.0276 -8.0276 -7.8820 -7.8820 -7.8815 -7.8815 -4.8666 -4.8666 -4.8660 -4.8660 -3.4304 -3.4304 -3.4291 -3.4291 -3.4153 -3.4153 -3.4114 -3.4114 -0.0955 -0.0955 -0.0252 -0.0252 0.6021 0.6021 0.6718 0.6718 0.8171 0.8171 1.0387 1.0387 1.2358 1.2358 1.5107 1.5107 1.9995 1.9995 2.0149 2.0149 2.0978 2.0978 2.2893 2.2893 2.3298 2.3298 2.3601 2.3601 2.6257 2.6257 2.7542 2.7542 2.8316 2.8316 2.8823 2.8823 7.6342 7.6342 7.6590 7.6590 8.3938 8.3938 8.4048 8.4048 8.7445 8.7445 8.7465 8.7465 8.8917 8.8917 8.9032 8.9032 k = 0.2949 0.5107 0.5852 ( 33222 PWs) bands (ev): -72.0500 -72.0500 -72.0500 -72.0500 -39.0040 -39.0040 -39.0040 -39.0040 -38.7167 -38.7167 -38.7167 -38.7167 -38.7141 -38.7141 -38.7141 -38.7141 -16.1216 -16.1216 -16.1216 -16.1216 -8.2450 -8.2450 -8.2438 -8.2438 -8.0265 -8.0265 -8.0247 -8.0247 -7.8822 -7.8822 -7.8817 -7.8817 -4.8669 -4.8669 -4.8664 -4.8664 -3.4313 -3.4313 -3.4302 -3.4302 -3.4154 -3.4154 -3.4117 -3.4117 -0.1009 -0.1009 -0.0344 -0.0344 0.6030 0.6030 0.6680 0.6680 0.8263 0.8263 1.0428 1.0428 1.2407 1.2407 1.5063 1.5063 1.9942 1.9942 2.0110 2.0110 2.1054 2.1054 2.2918 2.2918 2.3331 2.3331 2.3585 2.3585 2.6401 2.6401 2.7587 2.7587 2.8367 2.8367 2.8886 2.8886 7.6148 7.6148 7.6384 7.6384 8.3925 8.3925 8.4068 8.4068 8.7077 8.7077 8.7077 8.7077 8.9088 8.9088 8.9215 8.9215 k = 0.2821 0.4885 0.5852 ( 33224 PWs) bands (ev): -72.0500 -72.0500 -72.0500 -72.0500 -39.0040 -39.0040 -39.0040 -39.0040 -38.7167 -38.7167 -38.7167 -38.7167 -38.7141 -38.7141 -38.7141 -38.7141 -16.1216 -16.1216 -16.1216 -16.1216 -8.2481 -8.2481 -8.2470 -8.2470 -8.0224 -8.0224 -8.0206 -8.0206 -7.8824 -7.8824 -7.8819 -7.8819 -4.8675 -4.8675 -4.8670 -4.8670 -3.4326 -3.4326 -3.4316 -3.4316 -3.4156 -3.4156 -3.4123 -3.4123 -0.1086 -0.1086 -0.0471 -0.0471 0.6045 0.6045 0.6635 0.6635 0.8379 0.8379 1.0469 1.0469 1.2478 1.2478 1.4998 1.4998 1.9886 1.9886 2.0093 2.0093 2.1147 2.1147 2.2960 2.2960 2.3373 2.3373 2.3573 2.3573 2.6579 2.6579 2.7649 2.7649 2.8437 2.8437 2.8970 2.8970 7.5877 7.5877 7.6099 7.6099 8.3899 8.3899 8.4083 8.4083 8.6655 8.6655 8.6672 8.6672 8.9223 8.9223 8.9355 8.9355 k = 0.2692 0.4663 0.5852 ( 33232 PWs) bands (ev): -72.0500 -72.0500 -72.0500 -72.0500 -39.0040 -39.0040 -39.0040 -39.0040 -38.7167 -38.7167 -38.7167 -38.7167 -38.7141 -38.7141 -38.7141 -38.7141 -16.1216 -16.1216 -16.1216 -16.1216 -8.2520 -8.2520 -8.2511 -8.2511 -8.0171 -8.0171 -8.0154 -8.0154 -7.8826 -7.8826 -7.8821 -7.8821 -4.8682 -4.8682 -4.8677 -4.8677 -3.4340 -3.4340 -3.4333 -3.4333 -3.4163 -3.4163 -3.4133 -3.4133 -0.1188 -0.1188 -0.0630 -0.0630 0.6067 0.6067 0.6588 0.6588 0.8513 0.8513 1.0498 1.0498 1.2571 1.2571 1.4910 1.4910 1.9842 1.9842 2.0114 2.0114 2.1254 2.1254 2.3021 2.3021 2.3423 2.3423 2.3571 2.3571 2.6781 2.6781 2.7726 2.7726 2.8527 2.8527 2.9073 2.9073 7.5536 7.5536 7.5743 7.5743 8.3850 8.3850 8.4076 8.4076 8.6215 8.6215 8.6248 8.6248 8.9321 8.9321 8.9453 8.9453 k = 0.2564 0.4441 0.5852 ( 33232 PWs) bands (ev): -72.0500 -72.0500 -72.0500 -72.0500 -39.0040 -39.0040 -39.0040 -39.0040 -38.7167 -38.7167 -38.7167 -38.7167 -38.7141 -38.7141 -38.7141 -38.7141 -16.1216 -16.1216 -16.1216 -16.1216 -8.2567 -8.2567 -8.2558 -8.2558 -8.0108 -8.0108 -8.0093 -8.0093 -7.8828 -7.8828 -7.8824 -7.8824 -4.8691 -4.8691 -4.8686 -4.8686 -3.4357 -3.4357 -3.4351 -3.4351 -3.4173 -3.4173 -3.4146 -3.4146 -0.1312 -0.1312 -0.0816 -0.0816 0.6098 0.6098 0.6544 0.6544 0.8654 0.8654 1.0507 1.0507 1.2681 1.2681 1.4802 1.4802 1.9826 1.9826 2.0185 2.0185 2.1373 2.1373 2.3095 2.3095 2.3478 2.3478 2.3582 2.3582 2.6997 2.6997 2.7817 2.7817 2.8637 2.8637 2.9195 2.9195 7.5136 7.5136 7.5327 7.5327 8.3763 8.3763 8.4028 8.4028 8.5766 8.5766 8.5812 8.5812 8.9381 8.9381 8.9513 8.9513 k = 0.2436 0.4219 0.5852 ( 33238 PWs) bands (ev): -72.0500 -72.0500 -72.0500 -72.0500 -39.0040 -39.0040 -39.0040 -39.0040 -38.7167 -38.7167 -38.7167 -38.7167 -38.7141 -38.7141 -38.7141 -38.7141 -16.1216 -16.1216 -16.1216 -16.1216 -8.2620 -8.2620 -8.2612 -8.2612 -8.0036 -8.0036 -8.0023 -8.0023 -7.8830 -7.8830 -7.8826 -7.8826 -4.8701 -4.8701 -4.8697 -4.8697 -3.4375 -3.4375 -3.4371 -3.4371 -3.4188 -3.4188 -3.4164 -3.4164 -0.1459 -0.1459 -0.1026 -0.1026 0.6137 0.6137 0.6509 0.6509 0.8795 0.8795 1.0494 1.0494 1.2799 1.2799 1.4676 1.4676 1.9851 1.9851 2.0309 2.0309 2.1504 2.1504 2.3179 2.3179 2.3538 2.3538 2.3610 2.3610 2.7221 2.7221 2.7920 2.7920 2.8767 2.8767 2.9332 2.9332 7.4688 7.4688 7.4864 7.4864 8.3629 8.3629 8.3927 8.3927 8.5315 8.5315 8.5371 8.5371 8.9395 8.9395 8.9526 8.9526 k = 0.2308 0.3997 0.5852 ( 33250 PWs) bands (ev): -72.0500 -72.0500 -72.0500 -72.0500 -39.0040 -39.0040 -39.0040 -39.0040 -38.7167 -38.7167 -38.7167 -38.7167 -38.7141 -38.7141 -38.7141 -38.7141 -16.1216 -16.1216 -16.1216 -16.1216 -8.2677 -8.2677 -8.2671 -8.2671 -7.9958 -7.9958 -7.9946 -7.9946 -7.8832 -7.8832 -7.8828 -7.8828 -4.8713 -4.8713 -4.8710 -4.8710 -3.4395 -3.4395 -3.4392 -3.4392 -3.4207 -3.4207 -3.4186 -3.4186 -0.1626 -0.1626 -0.1255 -0.1255 0.6185 0.6185 0.6485 0.6485 0.8929 0.8929 1.0458 1.0458 1.2915 1.2915 1.4537 1.4537 1.9926 1.9926 2.0487 2.0487 2.1647 2.1647 2.3267 2.3267 2.3602 2.3602 2.3658 2.3658 2.7448 2.7448 2.8033 2.8033 2.8917 2.8917 2.9484 2.9484 7.4204 7.4204 7.4365 7.4365 8.3444 8.3444 8.3763 8.3763 8.4868 8.4868 8.4931 8.4931 8.9340 8.9340 8.9469 8.9469 k = 0.2179 0.3775 0.5852 ( 33246 PWs) bands (ev): -72.0500 -72.0500 -72.0500 -72.0500 -39.0040 -39.0040 -39.0040 -39.0040 -38.7167 -38.7167 -38.7167 -38.7167 -38.7141 -38.7141 -38.7141 -38.7141 -16.1216 -16.1216 -16.1216 -16.1216 -8.2738 -8.2738 -8.2733 -8.2733 -7.9874 -7.9874 -7.9863 -7.9863 -7.8833 -7.8833 -7.8829 -7.8829 -4.8727 -4.8727 -4.8724 -4.8724 -3.4416 -3.4416 -3.4414 -3.4414 -3.4230 -3.4230 -3.4212 -3.4212 -0.1810 -0.1810 -0.1498 -0.1498 0.6242 0.6242 0.6474 0.6474 0.9050 0.9050 1.0404 1.0404 1.3019 1.3019 1.4389 1.4389 2.0056 2.0056 2.0712 2.0712 2.1804 2.1804 2.3352 2.3352 2.3669 2.3669 2.3730 2.3730 2.7674 2.7674 2.8155 2.8155 2.9087 2.9087 2.9647 2.9647 7.3694 7.3694 7.3842 7.3842 8.3210 8.3210 8.3537 8.3537 8.4431 8.4431 8.4496 8.4496 8.9186 8.9186 8.9307 8.9307 k = 0.2051 0.3553 0.5852 ( 33262 PWs) bands (ev): -72.0500 -72.0500 -72.0500 -72.0500 -39.0040 -39.0040 -39.0040 -39.0040 -38.7167 -38.7167 -38.7167 -38.7167 -38.7141 -38.7141 -38.7141 -38.7141 -16.1217 -16.1217 -16.1217 -16.1217 -8.2801 -8.2801 -8.2797 -8.2797 -7.9786 -7.9786 -7.9777 -7.9777 -7.8834 -7.8834 -7.8830 -7.8830 -4.8742 -4.8742 -4.8740 -4.8740 -3.4439 -3.4439 -3.4437 -3.4437 -3.4257 -3.4257 -3.4242 -3.4242 -0.2009 -0.2009 -0.1751 -0.1751 0.6306 0.6306 0.6478 0.6478 0.9156 0.9156 1.0334 1.0334 1.3106 1.3106 1.4239 1.4239 2.0241 2.0241 2.0972 2.0972 2.1980 2.1980 2.3429 2.3429 2.3741 2.3741 2.3829 2.3829 2.7896 2.7896 2.8284 2.8284 2.9276 2.9276 2.9821 2.9821 7.3169 7.3169 7.3304 7.3304 8.2935 8.2935 8.3256 8.3256 8.4006 8.4006 8.4067 8.4067 8.8908 8.8908 8.9009 8.9009 k = 0.1923 0.3331 0.5852 ( 33254 PWs) bands (ev): -72.0500 -72.0500 -72.0500 -72.0500 -39.0040 -39.0040 -39.0040 -39.0040 -38.7167 -38.7167 -38.7167 -38.7167 -38.7141 -38.7141 -38.7141 -38.7141 -16.1217 -16.1217 -16.1217 -16.1217 -8.2866 -8.2866 -8.2862 -8.2862 -7.9696 -7.9696 -7.9688 -7.9688 -7.8834 -7.8834 -7.8831 -7.8831 -4.8759 -4.8759 -4.8756 -4.8756 -3.4462 -3.4462 -3.4461 -3.4461 -3.4288 -3.4288 -3.4275 -3.4275 -0.2220 -0.2220 -0.2010 -0.2010 0.6375 0.6375 0.6496 0.6496 0.9246 0.9246 1.0255 1.0255 1.3170 1.3170 1.4090 1.4090 2.0473 2.0473 2.1250 2.1250 2.2180 2.2180 2.3498 2.3498 2.3817 2.3817 2.3954 2.3954 2.8114 2.8114 2.8420 2.8420 2.9483 2.9483 3.0004 3.0004 7.2637 7.2637 7.2759 7.2759 8.2627 8.2627 8.2931 8.2931 8.3596 8.3596 8.3647 8.3647 8.8499 8.8499 8.8569 8.8569 k = 0.1795 0.3109 0.5852 ( 33250 PWs) bands (ev): -72.0500 -72.0500 -72.0500 -72.0500 -39.0040 -39.0040 -39.0040 -39.0040 -38.7167 -38.7167 -38.7167 -38.7167 -38.7141 -38.7141 -38.7141 -38.7141 -16.1217 -16.1217 -16.1217 -16.1217 -8.2930 -8.2930 -8.2927 -8.2927 -7.9605 -7.9605 -7.9598 -7.9598 -7.8834 -7.8834 -7.8831 -7.8831 -4.8776 -4.8776 -4.8774 -4.8774 -3.4486 -3.4486 -3.4485 -3.4485 -3.4321 -3.4321 -3.4310 -3.4310 -0.2439 -0.2439 -0.2270 -0.2270 0.6449 0.6449 0.6527 0.6527 0.9320 0.9320 1.0170 1.0170 1.3212 1.3212 1.3946 1.3946 2.0743 2.0743 2.1527 2.1527 2.2411 2.2411 2.3560 2.3560 2.3903 2.3903 2.4100 2.4100 2.8328 2.8328 2.8562 2.8562 2.9706 2.9706 3.0193 3.0193 7.2106 7.2106 7.2215 7.2215 8.2298 8.2298 8.2579 8.2579 8.3197 8.3197 8.3237 8.3237 8.7974 8.7974 8.8007 8.8007 k = 0.1667 0.2887 0.5852 ( 33258 PWs) bands (ev): -72.0500 -72.0500 -72.0500 -72.0500 -39.0040 -39.0040 -39.0040 -39.0040 -38.7167 -38.7167 -38.7167 -38.7167 -38.7141 -38.7141 -38.7141 -38.7141 -16.1217 -16.1217 -16.1217 -16.1217 -8.2994 -8.2994 -8.2992 -8.2992 -7.9514 -7.9514 -7.9508 -7.9508 -7.8834 -7.8834 -7.8831 -7.8831 -4.8795 -4.8795 -4.8793 -4.8793 -3.4512 -3.4512 -3.4511 -3.4511 -3.4355 -3.4355 -3.4346 -3.4346 -0.2662 -0.2662 -0.2529 -0.2529 0.6525 0.6525 0.6569 0.6569 0.9379 0.9379 1.0084 1.0084 1.3235 1.3235 1.3810 1.3810 2.1038 2.1038 2.1783 2.1783 2.2675 2.2675 2.3618 2.3618 2.4001 2.4001 2.4267 2.4267 2.8535 2.8535 2.8709 2.8709 2.9942 2.9942 3.0389 3.0389 7.1583 7.1583 7.1679 7.1679 8.1958 8.1958 8.2213 8.2213 8.2806 8.2806 8.2836 8.2836 8.7356 8.7356 8.7358 8.7358 k = 0.1538 0.2665 0.5852 ( 33248 PWs) bands (ev): -72.0500 -72.0500 -72.0500 -72.0500 -39.0040 -39.0040 -39.0040 -39.0040 -38.7167 -38.7167 -38.7167 -38.7167 -38.7141 -38.7141 -38.7141 -38.7141 -16.1217 -16.1217 -16.1217 -16.1217 -8.3056 -8.3056 -8.3054 -8.3054 -7.9425 -7.9424 -7.9420 -7.9420 -7.8832 -7.8832 -7.8830 -7.8830 -4.8814 -4.8814 -4.8812 -4.8812 -3.4538 -3.4538 -3.4538 -3.4538 -3.4390 -3.4390 -3.4383 -3.4383 -0.2885 -0.2885 -0.2783 -0.2783 0.6600 0.6600 0.6619 0.6619 0.9426 0.9426 1.0000 1.0000 1.3240 1.3240 1.3684 1.3684 2.1344 2.1344 2.2010 2.2010 2.2956 2.2956 2.3672 2.3672 2.4123 2.4123 2.4450 2.4450 2.8737 2.8737 2.8861 2.8861 3.0190 3.0190 3.0589 3.0589 7.1073 7.1073 7.1156 7.1156 8.1619 8.1619 8.1848 8.1848 8.2422 8.2422 8.2444 8.2444 8.6649 8.6649 8.6681 8.6681 k = 0.1410 0.2443 0.5852 ( 33240 PWs) bands (ev): -72.0500 -72.0500 -72.0500 -72.0500 -39.0040 -39.0040 -39.0040 -39.0040 -38.7167 -38.7167 -38.7167 -38.7167 -38.7141 -38.7141 -38.7141 -38.7141 -16.1217 -16.1217 -16.1217 -16.1217 -8.3115 -8.3115 -8.3114 -8.3114 -7.9338 -7.9338 -7.9334 -7.9334 -7.8831 -7.8831 -7.8829 -7.8829 -4.8833 -4.8833 -4.8831 -4.8831 -3.4566 -3.4566 -3.4566 -3.4566 -3.4423 -3.4423 -3.4418 -3.4418 -0.3106 -0.3106 -0.3029 -0.3029 0.6674 0.6674 0.6676 0.6676 0.9465 0.9465 0.9923 0.9923 1.3232 1.3232 1.3568 1.3568 2.1648 2.1648 2.2209 2.2209 2.3223 2.3223 2.3722 2.3722 2.4284 2.4284 2.4647 2.4647 2.8932 2.8932 2.9015 2.9015 3.0447 3.0447 3.0792 3.0792 7.0581 7.0581 7.0652 7.0652 8.1288 8.1288 8.1492 8.1492 8.2044 8.2044 8.2062 8.2062 8.5913 8.5913 8.5967 8.5967 k = 0.1282 0.2221 0.5852 ( 33252 PWs) bands (ev): -72.0500 -72.0500 -72.0500 -72.0500 -39.0040 -39.0040 -39.0040 -39.0040 -38.7167 -38.7167 -38.7167 -38.7167 -38.7141 -38.7141 -38.7141 -38.7141 -16.1217 -16.1217 -16.1217 -16.1217 -8.3172 -8.3172 -8.3171 -8.3171 -7.9255 -7.9255 -7.9252 -7.9252 -7.8829 -7.8829 -7.8827 -7.8827 -4.8851 -4.8851 -4.8851 -4.8851 -3.4596 -3.4596 -3.4595 -3.4595 -3.4455 -3.4455 -3.4451 -3.4451 -0.3320 -0.3320 -0.3263 -0.3263 0.6735 0.6735 0.6744 0.6744 0.9497 0.9497 0.9854 0.9854 1.3213 1.3213 1.3462 1.3462 2.1939 2.1939 2.2387 2.2387 2.3445 2.3445 2.3767 2.3767 2.4497 2.4497 2.4857 2.4857 2.9120 2.9120 2.9171 2.9171 3.0708 3.0708 3.0999 3.0999 7.0114 7.0114 7.0172 7.0172 8.0971 8.0971 8.1153 8.1153 8.1673 8.1673 8.1692 8.1692 8.5172 8.5172 8.5239 8.5239 k = 0.1154 0.1999 0.5852 ( 33264 PWs) bands (ev): -72.0500 -72.0500 -72.0500 -72.0500 -39.0040 -39.0040 -39.0040 -39.0040 -38.7167 -38.7167 -38.7167 -38.7167 -38.7141 -38.7141 -38.7141 -38.7141 -16.1217 -16.1217 -16.1217 -16.1217 -8.3225 -8.3225 -8.3224 -8.3224 -7.9177 -7.9177 -7.9175 -7.9175 -7.8827 -7.8827 -7.8825 -7.8825 -4.8870 -4.8870 -4.8869 -4.8869 -3.4626 -3.4626 -3.4626 -3.4626 -3.4484 -3.4484 -3.4481 -3.4481 -0.3524 -0.3524 -0.3484 -0.3484 0.6794 0.6794 0.6808 0.6808 0.9526 0.9526 0.9795 0.9795 1.3187 1.3187 1.3367 1.3367 2.2209 2.2209 2.2549 2.2549 2.3607 2.3607 2.3808 2.3808 2.4758 2.4758 2.5074 2.5074 2.9298 2.9298 2.9327 2.9327 3.0972 3.0972 3.1206 3.1206 6.9674 6.9674 6.9720 6.9720 8.0675 8.0675 8.0835 8.0835 8.1313 8.1313 8.1334 8.1334 8.4446 8.4446 8.4517 8.4517 k = 0.1026 0.1776 0.5852 ( 33254 PWs) bands (ev): -72.0500 -72.0500 -72.0500 -72.0500 -39.0040 -39.0040 -39.0040 -39.0040 -38.7167 -38.7167 -38.7167 -38.7167 -38.7141 -38.7141 -38.7141 -38.7141 -16.1217 -16.1217 -16.1217 -16.1217 -8.3273 -8.3273 -8.3272 -8.3272 -7.9105 -7.9105 -7.9103 -7.9103 -7.8824 -7.8824 -7.8823 -7.8823 -4.8887 -4.8887 -4.8887 -4.8887 -3.4658 -3.4658 -3.4657 -3.4657 -3.4510 -3.4510 -3.4508 -3.4508 -0.3715 -0.3715 -0.3687 -0.3687 0.6850 0.6850 0.6866 0.6866 0.9553 0.9553 0.9748 0.9748 1.3157 1.3157 1.3282 1.3282 2.2451 2.2451 2.2697 2.2697 2.3718 2.3718 2.3842 2.3842 2.5044 2.5044 2.5293 2.5293 2.9466 2.9466 2.9479 2.9479 3.1233 3.1233 3.1413 3.1413 6.9266 6.9266 6.9301 6.9301 8.0403 8.0403 8.0543 8.0543 8.0967 8.0967 8.0993 8.0993 8.3752 8.3752 8.3821 8.3821 k = 0.0897 0.1554 0.5852 ( 33246 PWs) bands (ev): -72.0500 -72.0500 -72.0500 -72.0500 -39.0040 -39.0040 -39.0040 -39.0040 -38.7167 -38.7167 -38.7167 -38.7167 -38.7141 -38.7141 -38.7141 -38.7141 -16.1218 -16.1218 -16.1218 -16.1218 -8.3317 -8.3317 -8.3316 -8.3316 -7.9040 -7.9040 -7.9038 -7.9038 -7.8822 -7.8822 -7.8821 -7.8821 -4.8904 -4.8904 -4.8903 -4.8903 -3.4688 -3.4688 -3.4688 -3.4688 -3.4532 -3.4532 -3.4531 -3.4531 -0.3890 -0.3890 -0.3872 -0.3872 0.6902 0.6902 0.6915 0.6915 0.9579 0.9579 0.9714 0.9714 1.3124 1.3124 1.3208 1.3208 2.2665 2.2665 2.2833 2.2833 2.3793 2.3793 2.3871 2.3871 2.5329 2.5329 2.5508 2.5508 2.9622 2.9622 2.9626 2.9626 3.1485 3.1485 3.1616 3.1616 6.8894 6.8894 6.8919 6.8920 8.0158 8.0158 8.0279 8.0279 8.0639 8.0639 8.0670 8.0670 8.3106 8.3106 8.3166 8.3166 k = 0.0769 0.1332 0.5852 ( 33254 PWs) bands (ev): -72.0500 -72.0500 -72.0500 -72.0500 -39.0040 -39.0040 -39.0040 -39.0040 -38.7167 -38.7167 -38.7167 -38.7167 -38.7141 -38.7141 -38.7141 -38.7141 -16.1218 -16.1218 -16.1218 -16.1218 -8.3355 -8.3355 -8.3355 -8.3355 -7.8981 -7.8981 -7.8980 -7.8980 -7.8820 -7.8820 -7.8819 -7.8819 -4.8919 -4.8919 -4.8919 -4.8919 -3.4717 -3.4717 -3.4717 -3.4717 -3.4551 -3.4551 -3.4550 -3.4550 -0.4048 -0.4048 -0.4036 -0.4036 0.6947 0.6947 0.6957 0.6957 0.9604 0.9604 0.9691 0.9691 1.3090 1.3090 1.3143 1.3143 2.2848 2.2848 2.2957 2.2957 2.3845 2.3845 2.3893 2.3893 2.5593 2.5593 2.5710 2.5710 2.9762 2.9762 2.9763 2.9763 3.1724 3.1724 3.1812 3.1812 6.8561 6.8561 6.8579 6.8579 7.9944 7.9944 8.0045 8.0045 8.0335 8.0335 8.0371 8.0371 8.2520 8.2520 8.2568 8.2568 k = 0.0641 0.1110 0.5852 ( 33264 PWs) bands (ev): -72.0500 -72.0500 -72.0500 -72.0500 -39.0040 -39.0040 -39.0040 -39.0040 -38.7167 -38.7167 -38.7167 -38.7167 -38.7141 -38.7141 -38.7141 -38.7141 -16.1218 -16.1218 -16.1218 -16.1218 -8.3389 -8.3389 -8.3389 -8.3389 -7.8931 -7.8930 -7.8930 -7.8930 -7.8817 -7.8817 -7.8817 -7.8817 -4.8932 -4.8932 -4.8932 -4.8932 -3.4744 -3.4744 -3.4744 -3.4744 -3.4567 -3.4567 -3.4566 -3.4566 -0.4185 -0.4185 -0.4178 -0.4178 0.6984 0.6984 0.6991 0.6991 0.9627 0.9627 0.9679 0.9679 1.3058 1.3058 1.3089 1.3089 2.3003 2.3003 2.3067 2.3067 2.3880 2.3880 2.3908 2.3908 2.5824 2.5824 2.5893 2.5893 2.9885 2.9885 2.9887 2.9887 3.1941 3.1941 3.1995 3.1995 6.8272 6.8272 6.8283 6.8283 7.9761 7.9761 7.9844 7.9844 8.0062 8.0062 8.0101 8.0101 8.2007 8.2007 8.2040 8.2040 k = 0.0513 0.0888 0.5852 ( 33264 PWs) bands (ev): -72.0500 -72.0500 -72.0500 -72.0500 -39.0040 -39.0040 -39.0040 -39.0040 -38.7167 -38.7167 -38.7167 -38.7167 -38.7141 -38.7141 -38.7141 -38.7141 -16.1218 -16.1218 -16.1218 -16.1218 -8.3416 -8.3416 -8.3416 -8.3416 -7.8888 -7.8888 -7.8888 -7.8888 -7.8816 -7.8816 -7.8815 -7.8815 -4.8943 -4.8943 -4.8943 -4.8943 -3.4767 -3.4767 -3.4767 -3.4767 -3.4579 -3.4579 -3.4579 -3.4579 -0.4299 -0.4299 -0.4296 -0.4296 0.7014 0.7014 0.7018 0.7018 0.9647 0.9647 0.9674 0.9674 1.3029 1.3029 1.3045 1.3045 2.3129 2.3129 2.3163 2.3163 2.3902 2.3902 2.3917 2.3917 2.6016 2.6016 2.6051 2.6051 2.9991 2.9991 2.9993 2.9993 3.2130 3.2130 3.2159 3.2159 6.8030 6.8030 6.8036 6.8036 7.9612 7.9612 7.9675 7.9675 7.9827 7.9827 7.9864 7.9864 8.1575 8.1575 8.1596 8.1596 k = 0.0385 0.0666 0.5852 ( 33274 PWs) bands (ev): -72.0500 -72.0500 -72.0500 -72.0500 -39.0040 -39.0040 -39.0040 -39.0040 -38.7167 -38.7167 -38.7167 -38.7167 -38.7141 -38.7141 -38.7141 -38.7141 -16.1218 -16.1218 -16.1218 -16.1218 -8.3438 -8.3438 -8.3438 -8.3438 -7.8855 -7.8855 -7.8855 -7.8855 -7.8814 -7.8814 -7.8813 -7.8813 -4.8952 -4.8952 -4.8952 -4.8952 -3.4786 -3.4786 -3.4786 -3.4786 -3.4589 -3.4589 -3.4589 -3.4589 -0.4390 -0.4390 -0.4389 -0.4389 0.7037 0.7037 0.7038 0.7038 0.9664 0.9664 0.9675 0.9675 1.3004 1.3004 1.3011 1.3011 2.3228 2.3228 2.3243 2.3243 2.3915 2.3915 2.3922 2.3922 2.6165 2.6165 2.6180 2.6180 3.0077 3.0077 3.0078 3.0078 3.2285 3.2285 3.2297 3.2297 6.7837 6.7837 6.7840 6.7840 7.9496 7.9496 7.9538 7.9538 7.9639 7.9639 7.9669 7.9669 8.1233 8.1233 8.1243 8.1243 k = 0.0256 0.0444 0.5852 ( 33274 PWs) bands (ev): -72.0500 -72.0500 -72.0500 -72.0500 -39.0040 -39.0040 -39.0040 -39.0040 -38.7167 -38.7167 -38.7167 -38.7167 -38.7141 -38.7141 -38.7141 -38.7141 -16.1218 -16.1218 -16.1218 -16.1218 -8.3454 -8.3454 -8.3454 -8.3454 -7.8831 -7.8831 -7.8831 -7.8831 -7.8813 -7.8813 -7.8812 -7.8812 -4.8959 -4.8959 -4.8959 -4.8959 -3.4800 -3.4800 -3.4799 -3.4799 -3.4596 -3.4596 -3.4596 -3.4596 -0.4456 -0.4456 -0.4456 -0.4456 0.7052 0.7052 0.7052 0.7052 0.9676 0.9676 0.9679 0.9679 1.2985 1.2985 1.2987 1.2987 2.3299 2.3299 2.3304 2.3304 2.3921 2.3921 2.3923 2.3923 2.6270 2.6270 2.6275 2.6275 3.0139 3.0139 3.0140 3.0140 3.2399 3.2399 3.2403 3.2403 6.7698 6.7698 6.7698 6.7698 7.9412 7.9412 7.9432 7.9432 7.9507 7.9507 7.9523 7.9523 8.0985 8.0985 8.0988 8.0988 k = 0.0128 0.0222 0.5852 ( 33312 PWs) bands (ev): -72.0500 -72.0500 -72.0500 -72.0500 -39.0040 -39.0040 -39.0040 -39.0040 -38.7167 -38.7167 -38.7167 -38.7167 -38.7141 -38.7141 -38.7141 -38.7141 -16.1218 -16.1218 -16.1218 -16.1218 -8.3463 -8.3463 -8.3463 -8.3463 -7.8817 -7.8816 -7.8816 -7.8816 -7.8812 -7.8812 -7.8812 -7.8812 -4.8963 -4.8963 -4.8963 -4.8963 -3.4808 -3.4808 -3.4808 -3.4808 -3.4601 -3.4601 -3.4601 -3.4601 -0.4496 -0.4496 -0.4496 -0.4496 0.7061 0.7061 0.7061 0.7061 0.9683 0.9683 0.9683 0.9683 1.2973 1.2973 1.2973 1.2973 2.3342 2.3342 2.3342 2.3342 2.3922 2.3922 2.3923 2.3923 2.6333 2.6333 2.6333 2.6333 3.0178 3.0178 3.0178 3.0178 3.2469 3.2469 3.2469 3.2469 6.7612 6.7612 6.7613 6.7613 7.9359 7.9359 7.9362 7.9362 7.9432 7.9432 7.9435 7.9435 8.0834 8.0834 8.0834 8.0834 k = 0.0000 0.0000 0.5852 ( 33302 PWs) bands (ev): -72.0500 -72.0500 -72.0500 -72.0500 -39.0040 -39.0040 -39.0040 -39.0040 -38.7167 -38.7167 -38.7167 -38.7167 -38.7141 -38.7141 -38.7141 -38.7141 -16.1218 -16.1218 -16.1218 -16.1218 -8.3466 -8.3466 -8.3466 -8.3466 -7.8812 -7.8812 -7.8812 -7.8812 -7.8811 -7.8811 -7.8811 -7.8811 -4.8964 -4.8964 -4.8964 -4.8964 -3.4811 -3.4811 -3.4811 -3.4811 -3.4602 -3.4602 -3.4602 -3.4602 -0.4510 -0.4510 -0.4510 -0.4510 0.7063 0.7063 0.7063 0.7063 0.9685 0.9685 0.9685 0.9685 1.2969 1.2969 1.2969 1.2969 2.3356 2.3356 2.3356 2.3356 2.3922 2.3922 2.3922 2.3922 2.6353 2.6353 2.6353 2.6353 3.0190 3.0190 3.0190 3.0190 3.2492 3.2492 3.2492 3.2492 6.7584 6.7584 6.7584 6.7584 7.9339 7.9339 7.9339 7.9339 7.9407 7.9407 7.9407 7.9407 8.0783 8.0783 8.0783 8.0783 k = 0.5000 0.2887 0.5852 ( 33260 PWs) bands (ev): -72.0500 -72.0500 -72.0500 -72.0500 -39.0040 -39.0040 -39.0040 -39.0040 -38.7167 -38.7167 -38.7167 -38.7167 -38.7141 -38.7141 -38.7141 -38.7141 -16.1216 -16.1216 -16.1216 -16.1216 -8.2600 -8.2600 -8.2600 -8.2600 -8.0020 -8.0020 -8.0020 -8.0020 -7.8862 -7.8862 -7.8862 -7.8862 -4.8694 -4.8694 -4.8694 -4.8694 -3.4427 -3.4427 -3.4427 -3.4427 -3.4098 -3.4098 -3.4098 -3.4098 -0.1268 -0.1268 -0.1268 -0.1268 0.6225 0.6225 0.6225 0.6225 1.0090 1.0090 1.0090 1.0090 1.3936 1.3936 1.3936 1.3936 1.9235 1.9235 1.9235 1.9235 2.1668 2.1668 2.1668 2.1668 2.3702 2.3702 2.3702 2.3702 2.7617 2.7617 2.7617 2.7617 2.9820 2.9820 2.9820 2.9820 7.5037 7.5037 7.5037 7.5037 8.2435 8.2435 8.2435 8.2435 8.5553 8.5553 8.5553 8.5553 8.8103 8.8103 8.8103 8.8103 k = 0.5000 0.2887 0.5598 ( 33266 PWs) bands (ev): -72.0500 -72.0500 -72.0500 -72.0500 -39.0040 -39.0040 -39.0039 -39.0039 -38.7168 -38.7168 -38.7165 -38.7165 -38.7142 -38.7142 -38.7141 -38.7141 -16.1217 -16.1217 -16.1216 -16.1216 -8.2769 -8.2769 -8.2431 -8.2431 -8.0089 -8.0089 -7.9949 -7.9949 -7.8946 -7.8946 -7.8777 -7.8777 -4.8696 -4.8696 -4.8692 -4.8692 -3.4432 -3.4432 -3.4423 -3.4423 -3.4103 -3.4103 -3.4093 -3.4093 -0.1350 -0.1350 -0.1189 -0.1189 0.6136 0.6136 0.6318 0.6318 0.9814 0.9814 1.0375 1.0375 1.3702 1.3702 1.4149 1.4149 1.8992 1.8992 1.9512 1.9512 2.1528 2.1528 2.1794 2.1794 2.3559 2.3559 2.3833 2.3833 2.7441 2.7441 2.7738 2.7738 2.9795 2.9795 2.9892 2.9892 7.4689 7.4689 7.5379 7.5379 8.2081 8.2081 8.2813 8.2813 8.5351 8.5351 8.5796 8.5796 8.7893 8.7893 8.8330 8.8330 k = 0.5000 0.2887 0.5343 ( 33260 PWs) bands (ev): -72.0500 -72.0500 -72.0499 -72.0499 -39.0041 -39.0041 -39.0039 -39.0039 -38.7169 -38.7169 -38.7164 -38.7164 -38.7142 -38.7142 -38.7141 -38.7141 -16.1217 -16.1217 -16.1215 -16.1215 -8.2937 -8.2937 -8.2263 -8.2263 -8.0155 -8.0155 -7.9875 -7.9875 -7.9030 -7.9030 -7.8693 -7.8693 -4.8698 -4.8698 -4.8691 -4.8691 -3.4437 -3.4437 -3.4419 -3.4419 -3.4108 -3.4108 -3.4088 -3.4088 -0.1435 -0.1435 -0.1115 -0.1115 0.6057 0.6057 0.6408 0.6408 0.9553 0.9553 1.0665 1.0665 1.3457 1.3457 1.4332 1.4332 1.8785 1.8785 1.9812 1.9812 2.1383 2.1383 2.1900 2.1900 2.3414 2.3414 2.3947 2.3947 2.7219 2.7219 2.7807 2.7807 2.9815 2.9815 3.0006 3.0006 7.4337 7.4337 7.5715 7.5715 8.1772 8.1772 8.3193 8.3193 8.5205 8.5205 8.6066 8.6066 8.7724 8.7724 8.8555 8.8555 k = 0.5000 0.2887 0.5089 ( 33228 PWs) bands (ev): -72.0500 -72.0500 -72.0499 -72.0499 -39.0041 -39.0041 -39.0038 -39.0038 -38.7170 -38.7170 -38.7163 -38.7163 -38.7142 -38.7142 -38.7141 -38.7141 -16.1218 -16.1218 -16.1215 -16.1215 -8.3103 -8.3103 -8.2097 -8.2097 -8.0217 -8.0217 -7.9801 -7.9801 -7.9113 -7.9113 -7.8610 -7.8610 -4.8701 -4.8701 -4.8690 -4.8690 -3.4443 -3.4443 -3.4415 -3.4415 -3.4113 -3.4113 -3.4083 -3.4083 -0.1520 -0.1520 -0.1047 -0.1047 0.5992 0.5992 0.6484 0.6484 0.9314 0.9314 1.0958 1.0958 1.3216 1.3216 1.4484 1.4484 1.8610 1.8610 2.0103 2.0103 2.1255 2.1255 2.1979 2.1979 2.3280 2.3280 2.4037 2.4037 2.6968 2.6968 2.7833 2.7833 2.9871 2.9871 3.0146 3.0146 7.3980 7.3980 7.6041 7.6041 8.1523 8.1523 8.3541 8.3541 8.5122 8.5122 8.6344 8.6344 8.7621 8.7621 8.8753 8.8753 k = 0.5000 0.2887 0.4835 ( 33232 PWs) bands (ev): -72.0500 -72.0500 -72.0499 -72.0499 -39.0042 -39.0042 -39.0038 -39.0038 -38.7171 -38.7171 -38.7162 -38.7162 -38.7142 -38.7142 -38.7141 -38.7141 -16.1218 -16.1218 -16.1214 -16.1214 -8.3266 -8.3266 -8.1936 -8.1936 -8.0273 -8.0273 -7.9727 -7.9727 -7.9195 -7.9195 -7.8527 -7.8527 -4.8704 -4.8704 -4.8690 -4.8690 -3.4450 -3.4450 -3.4412 -3.4412 -3.4118 -3.4118 -3.4078 -3.4078 -0.1606 -0.1606 -0.0986 -0.0986 0.5942 0.5942 0.6533 0.6533 0.9109 0.9109 1.1243 1.1243 1.2997 1.2997 1.4603 1.4603 1.8463 1.8463 2.0299 2.0299 2.1210 2.1210 2.2026 2.2026 2.3171 2.3171 2.4101 2.4101 2.6710 2.6710 2.7828 2.7828 2.9952 2.9952 3.0300 3.0300 7.3620 7.3620 7.6351 7.6351 8.1351 8.1351 8.3820 8.3820 8.5112 8.5112 8.6610 8.6610 8.7614 8.7614 8.8898 8.8898 k = 0.5000 0.2887 0.4580 ( 33244 PWs) bands (ev): -72.0500 -72.0500 -72.0499 -72.0499 -39.0042 -39.0042 -39.0037 -39.0037 -38.7173 -38.7173 -38.7161 -38.7161 -38.7142 -38.7142 -38.7140 -38.7140 -16.1219 -16.1219 -16.1214 -16.1214 -8.3425 -8.3425 -8.1781 -8.1781 -8.0323 -8.0323 -7.9652 -7.9652 -7.9275 -7.9275 -7.8446 -7.8446 -4.8708 -4.8708 -4.8690 -4.8690 -3.4458 -3.4458 -3.4410 -3.4410 -3.4123 -3.4123 -3.4073 -3.4073 -0.1691 -0.1691 -0.0934 -0.0934 0.5911 0.5911 0.6539 0.6539 0.8953 0.8953 1.1500 1.1500 1.2832 1.2832 1.4694 1.4694 1.8338 1.8338 2.0284 2.0284 2.1333 2.1333 2.2046 2.2046 2.3101 2.3101 2.4135 2.4135 2.6469 2.6469 2.7802 2.7802 3.0046 3.0046 3.0454 3.0454 7.3256 7.3256 7.6638 7.6638 8.1273 8.1273 8.3995 8.3995 8.5181 8.5181 8.6842 8.6842 8.7720 8.7720 8.8965 8.8965 k = 0.5000 0.2887 0.4326 ( 33252 PWs) bands (ev): -72.0500 -72.0500 -72.0499 -72.0499 -39.0043 -39.0043 -39.0037 -39.0037 -38.7174 -38.7174 -38.7160 -38.7160 -38.7142 -38.7142 -38.7140 -38.7140 -16.1220 -16.1220 -16.1214 -16.1214 -8.3579 -8.3579 -8.1636 -8.1636 -8.0364 -8.0364 -7.9578 -7.9578 -7.9353 -7.9353 -7.8367 -7.8367 -4.8712 -4.8712 -4.8690 -4.8690 -3.4466 -3.4466 -3.4408 -3.4408 -3.4127 -3.4127 -3.4069 -3.4069 -0.1774 -0.1774 -0.0891 -0.0891 0.5898 0.5898 0.6485 0.6485 0.8860 0.8860 1.1685 1.1685 1.2771 1.2771 1.4761 1.4761 1.8228 1.8228 2.0095 2.0095 2.1525 2.1525 2.2077 2.2077 2.3071 2.3071 2.4141 2.4141 2.6273 2.6273 2.7763 2.7763 3.0145 3.0145 3.0601 3.0601 7.2890 7.2890 7.6892 7.6892 8.1302 8.1302 8.4056 8.4056 8.5333 8.5333 8.7020 8.7020 8.7928 8.7928 8.8939 8.8939 k = 0.5000 0.2887 0.4071 ( 33250 PWs) bands (ev): -72.0500 -72.0500 -72.0499 -72.0499 -39.0043 -39.0043 -39.0036 -39.0036 -38.7175 -38.7175 -38.7158 -38.7158 -38.7143 -38.7143 -38.7140 -38.7140 -16.1220 -16.1220 -16.1213 -16.1213 -8.3728 -8.3728 -8.1504 -8.1504 -8.0393 -8.0393 -7.9505 -7.9505 -7.9429 -7.9429 -7.8291 -7.8291 -4.8717 -4.8717 -4.8691 -4.8691 -3.4476 -3.4476 -3.4407 -3.4407 -3.4131 -3.4131 -3.4064 -3.4064 -0.1854 -0.1854 -0.0859 -0.0859 0.5904 0.5904 0.6367 0.6367 0.8835 0.8835 1.1746 1.1746 1.2872 1.2872 1.4808 1.4808 1.8129 1.8129 1.9817 1.9817 2.1612 2.1612 2.2178 2.2178 2.3076 2.3076 2.4126 2.4126 2.6148 2.6148 2.7713 2.7713 3.0241 3.0241 3.0738 3.0738 7.2524 7.2524 7.7110 7.7110 8.1452 8.1452 8.4020 8.4020 8.5570 8.5570 8.7120 8.7120 8.8185 8.8185 8.8824 8.8824 k = 0.5000 0.2887 0.3817 ( 33276 PWs) bands (ev): -72.0500 -72.0500 -72.0499 -72.0499 -39.0044 -39.0044 -39.0036 -39.0036 -38.7176 -38.7176 -38.7157 -38.7157 -38.7143 -38.7143 -38.7140 -38.7140 -16.1221 -16.1221 -16.1213 -16.1213 -8.3871 -8.3871 -8.1388 -8.1388 -8.0406 -8.0406 -7.9503 -7.9503 -7.9433 -7.9433 -7.8217 -7.8217 -4.8721 -4.8721 -4.8692 -4.8692 -3.4486 -3.4486 -3.4406 -3.4406 -3.4133 -3.4133 -3.4060 -3.4060 -0.1930 -0.1930 -0.0838 -0.0838 0.5930 0.5930 0.6194 0.6194 0.8873 0.8873 1.1705 1.1705 1.3116 1.3116 1.4840 1.4840 1.8036 1.8036 1.9490 1.9490 2.1584 2.1584 2.2281 2.2281 2.3123 2.3123 2.4114 2.4114 2.6109 2.6109 2.7655 2.7655 3.0329 3.0329 3.0863 3.0863 7.2159 7.2159 7.7289 7.7289 8.1724 8.1724 8.3922 8.3922 8.5895 8.5895 8.7125 8.7125 8.8384 8.8384 8.8663 8.8663 k = 0.5000 0.2887 0.3562 ( 33274 PWs) bands (ev): -72.0500 -72.0500 -72.0499 -72.0499 -39.0044 -39.0044 -39.0035 -39.0035 -38.7177 -38.7177 -38.7156 -38.7156 -38.7143 -38.7143 -38.7140 -38.7140 -16.1221 -16.1221 -16.1213 -16.1213 -8.4008 -8.4008 -8.1296 -8.1296 -8.0400 -8.0400 -7.9573 -7.9573 -7.9363 -7.9363 -7.8146 -7.8146 -4.8726 -4.8726 -4.8693 -4.8693 -3.4497 -3.4497 -3.4405 -3.4405 -3.4136 -3.4136 -3.4055 -3.4055 -0.2003 -0.2003 -0.0829 -0.0829 0.5942 0.5942 0.6013 0.6013 0.8959 0.8959 1.1625 1.1625 1.3438 1.3438 1.4862 1.4862 1.7946 1.7946 1.9130 1.9130 2.1509 2.1509 2.2266 2.2266 2.3215 2.3215 2.4129 2.4129 2.6158 2.6158 2.7591 2.7591 3.0407 3.0407 3.0979 3.0979 7.1797 7.1797 7.7439 7.7439 8.2114 8.2114 8.3795 8.3795 8.6306 8.6306 8.7030 8.7030 8.8290 8.8290 8.8628 8.8628 k = 0.5000 0.2887 0.3308 ( 33256 PWs) bands (ev): -72.0500 -72.0500 -72.0499 -72.0499 -39.0045 -39.0045 -39.0035 -39.0035 -38.7178 -38.7178 -38.7155 -38.7155 -38.7143 -38.7143 -38.7140 -38.7140 -16.1222 -16.1222 -16.1212 -16.1212 -8.4137 -8.4137 -8.1228 -8.1228 -8.0370 -8.0370 -7.9640 -7.9640 -7.9296 -7.9296 -7.8078 -7.8078 -4.8731 -4.8731 -4.8694 -4.8694 -3.4508 -3.4508 -3.4405 -3.4405 -3.4137 -3.4137 -3.4050 -3.4050 -0.2071 -0.2071 -0.0832 -0.0832 0.5731 0.5731 0.6053 0.6053 0.9077 0.9077 1.1542 1.1542 1.3802 1.3802 1.4875 1.4875 1.7855 1.7855 1.8751 1.8751 2.1418 2.1418 2.2129 2.2129 2.3314 2.3314 2.4183 2.4183 2.6282 2.6282 2.7525 2.7525 3.0473 3.0473 3.1086 3.1086 7.1442 7.1442 7.7570 7.7570 8.2607 8.2607 8.3663 8.3663 8.6797 8.6797 8.6848 8.6848 8.8023 8.8023 8.8582 8.8582 k = 0.5000 0.2887 0.3053 ( 33228 PWs) bands (ev): -72.0500 -72.0500 -72.0499 -72.0499 -39.0045 -39.0045 -39.0035 -39.0035 -38.7179 -38.7179 -38.7154 -38.7154 -38.7143 -38.7143 -38.7139 -38.7139 -16.1222 -16.1222 -16.1212 -16.1212 -8.4259 -8.4259 -8.1187 -8.1187 -8.0319 -8.0319 -7.9703 -7.9703 -7.9232 -7.9232 -7.8014 -7.8014 -4.8736 -4.8736 -4.8695 -4.8695 -3.4520 -3.4520 -3.4406 -3.4406 -3.4138 -3.4138 -3.4046 -3.4046 -0.2135 -0.2135 -0.0848 -0.0848 0.5487 0.5487 0.6137 0.6137 0.9215 0.9215 1.1470 1.1470 1.4189 1.4189 1.4884 1.4884 1.7758 1.7758 1.8365 1.8365 2.1314 2.1314 2.1923 2.1923 2.3387 2.3387 2.4264 2.4264 2.6456 2.6456 2.7462 2.7462 3.0531 3.0531 3.1187 3.1187 7.1096 7.1096 7.7697 7.7697 8.3187 8.3187 8.3541 8.3541 8.6589 8.6589 8.7357 8.7357 8.7751 8.7751 8.8426 8.8426 k = 0.5000 0.2887 0.2799 ( 33236 PWs) bands (ev): -72.0500 -72.0500 -72.0499 -72.0499 -39.0045 -39.0045 -39.0034 -39.0034 -38.7180 -38.7180 -38.7154 -38.7154 -38.7143 -38.7143 -38.7139 -38.7139 -16.1223 -16.1223 -16.1212 -16.1212 -8.4372 -8.4372 -8.1167 -8.1167 -8.0250 -8.0250 -7.9762 -7.9762 -7.9171 -7.9171 -7.7954 -7.7954 -4.8742 -4.8742 -4.8697 -4.8697 -3.4533 -3.4533 -3.4406 -3.4406 -3.4138 -3.4138 -3.4041 -3.4041 -0.2193 -0.2193 -0.0875 -0.0875 0.5245 0.5245 0.6240 0.6240 0.9361 0.9361 1.1415 1.1415 1.4577 1.4577 1.4900 1.4900 1.7642 1.7642 1.7994 1.7994 2.1184 2.1184 2.1706 2.1706 2.3423 2.3423 2.4353 2.4353 2.6640 2.6640 2.7414 2.7414 3.0587 3.0587 3.1282 3.1282 7.0762 7.0762 7.7830 7.7830 8.3440 8.3440 8.3829 8.3829 8.6284 8.6284 8.7413 8.7413 8.8069 8.8069 8.8205 8.8205 k = 0.5000 0.2887 0.2545 ( 33246 PWs) bands (ev): -72.0500 -72.0500 -72.0499 -72.0499 -39.0046 -39.0046 -39.0034 -39.0034 -38.7181 -38.7181 -38.7153 -38.7153 -38.7144 -38.7144 -38.7139 -38.7139 -16.1224 -16.1224 -16.1212 -16.1212 -8.4478 -8.4478 -8.1163 -8.1163 -8.0171 -8.0171 -7.9817 -7.9817 -7.9113 -7.9113 -7.7898 -7.7898 -4.8747 -4.8747 -4.8698 -4.8698 -3.4545 -3.4545 -3.4407 -3.4407 -3.4138 -3.4138 -3.4036 -3.4036 -0.2246 -0.2246 -0.0912 -0.0912 0.5014 0.5014 0.6358 0.6358 0.9511 0.9511 1.1377 1.1377 1.4807 1.4807 1.5073 1.5073 1.7454 1.7454 1.7702 1.7702 2.1004 2.1004 2.1533 2.1533 2.3422 2.3422 2.4438 2.4439 2.6788 2.6788 2.7404 2.7404 3.0649 3.0649 3.1372 3.1372 7.0444 7.0444 7.7977 7.7977 8.3365 8.3365 8.4491 8.4491 8.5955 8.5955 8.7194 8.7194 8.7952 8.7952 8.8795 8.8795 k = 0.5000 0.2887 0.2290 ( 33218 PWs) bands (ev): -72.0501 -72.0501 -72.0499 -72.0499 -39.0046 -39.0046 -39.0034 -39.0034 -38.7181 -38.7181 -38.7152 -38.7152 -38.7144 -38.7144 -38.7139 -38.7139 -16.1224 -16.1224 -16.1212 -16.1212 -8.4574 -8.4574 -8.1169 -8.1169 -8.0087 -8.0087 -7.9867 -7.9867 -7.9060 -7.9060 -7.7846 -7.7846 -4.8752 -4.8752 -4.8700 -4.8700 -3.4557 -3.4557 -3.4409 -3.4409 -3.4137 -3.4137 -3.4032 -3.4032 -0.2294 -0.2294 -0.0958 -0.0958 0.4801 0.4801 0.6490 0.6490 0.9659 0.9659 1.1356 1.1356 1.4805 1.4805 1.5466 1.5466 1.7160 1.7160 1.7537 1.7537 2.0771 2.0771 2.1422 2.1422 2.3386 2.3386 2.4517 2.4517 2.6859 2.6859 2.7448 2.7448 3.0726 3.0726 3.1457 3.1457 7.0144 7.0144 7.8142 7.8142 8.3317 8.3317 8.5076 8.5076 8.5636 8.5636 8.7098 8.7098 8.7703 8.7703 8.9595 8.9595 k = 0.5000 0.2887 0.2036 ( 33254 PWs) bands (ev): -72.0501 -72.0501 -72.0499 -72.0499 -39.0046 -39.0046 -39.0034 -39.0034 -38.7182 -38.7182 -38.7151 -38.7151 -38.7144 -38.7144 -38.7139 -38.7139 -16.1224 -16.1224 -16.1212 -16.1212 -8.4661 -8.4661 -8.1180 -8.1180 -8.0004 -8.0004 -7.9913 -7.9913 -7.9011 -7.9011 -7.7800 -7.7800 -4.8756 -4.8756 -4.8701 -4.8701 -3.4569 -3.4569 -3.4410 -3.4410 -3.4136 -3.4136 -3.4027 -3.4027 -0.2337 -0.2337 -0.1011 -0.1011 0.4608 0.4608 0.6631 0.6631 0.9801 0.9801 1.1348 1.1348 1.4754 1.4754 1.5874 1.5874 1.6870 1.6870 1.7410 1.7410 2.0518 2.0518 2.1357 2.1357 2.3315 2.3315 2.4588 2.4588 2.6865 2.6865 2.7521 2.7521 3.0823 3.0823 3.1534 3.1534 6.9866 6.9866 7.8327 7.8327 8.3296 8.3296 8.5189 8.5189 8.5563 8.5563 8.7288 8.7288 8.7476 8.7476 9.0458 9.0458 k = 0.5000 0.2887 0.1781 ( 33236 PWs) bands (ev): -72.0501 -72.0501 -72.0499 -72.0499 -39.0046 -39.0046 -39.0033 -39.0033 -38.7182 -38.7182 -38.7151 -38.7151 -38.7144 -38.7144 -38.7139 -38.7139 -16.1225 -16.1225 -16.1212 -16.1212 -8.4739 -8.4739 -8.1194 -8.1194 -7.9954 -7.9954 -7.9926 -7.9926 -7.8968 -7.8968 -7.7758 -7.7758 -4.8761 -4.8761 -4.8703 -4.8703 -3.4580 -3.4580 -3.4412 -3.4412 -3.4134 -3.4134 -3.4023 -3.4023 -0.2374 -0.2374 -0.1067 -0.1067 0.4438 0.4438 0.6777 0.6777 0.9936 0.9936 1.1352 1.1352 1.4665 1.4665 1.6235 1.6235 1.6675 1.6675 1.7286 1.7286 2.0270 2.0270 2.1320 2.1320 2.3208 2.3208 2.4651 2.4651 2.6844 2.6844 2.7580 2.7580 3.0942 3.0942 3.1604 3.1604 6.9613 6.9613 7.8528 7.8528 8.3297 8.3297 8.4904 8.4904 8.5601 8.5601 8.7245 8.7245 8.7860 8.7860 9.1373 9.1373 k = 0.5000 0.2887 0.1527 ( 33246 PWs) bands (ev): -72.0501 -72.0501 -72.0499 -72.0499 -39.0047 -39.0047 -39.0033 -39.0033 -38.7183 -38.7183 -38.7150 -38.7150 -38.7144 -38.7144 -38.7139 -38.7139 -16.1225 -16.1225 -16.1211 -16.1211 -8.4806 -8.4806 -8.1209 -8.1209 -7.9990 -7.9990 -7.9854 -7.9854 -7.8929 -7.8929 -7.7721 -7.7721 -4.8765 -4.8765 -4.8704 -4.8704 -3.4591 -3.4591 -3.4413 -3.4413 -3.4133 -3.4133 -3.4020 -3.4020 -0.2406 -0.2406 -0.1124 -0.1124 0.4292 0.4292 0.6925 0.6925 1.0062 1.0062 1.1365 1.1365 1.4533 1.4533 1.6313 1.6313 1.6815 1.6815 1.7165 1.7165 2.0042 2.0042 2.1301 2.1301 2.3068 2.3068 2.4708 2.4708 2.6824 2.6824 2.7602 2.7602 3.1077 3.1077 3.1666 3.1666 6.9387 6.9387 7.8741 7.8741 8.3315 8.3315 8.4616 8.4616 8.5517 8.5517 8.7062 8.7062 8.8569 8.8569 9.2329 9.2329 k = 0.5000 0.2887 0.1272 ( 33244 PWs) bands (ev): -72.0501 -72.0501 -72.0499 -72.0499 -39.0047 -39.0047 -39.0033 -39.0033 -38.7183 -38.7183 -38.7150 -38.7150 -38.7144 -38.7144 -38.7139 -38.7139 -16.1225 -16.1225 -16.1211 -16.1211 -8.4864 -8.4864 -8.1223 -8.1223 -8.0020 -8.0020 -7.9791 -7.9791 -7.8896 -7.8896 -7.7690 -7.7690 -4.8768 -4.8768 -4.8705 -4.8705 -3.4600 -3.4600 -3.4415 -3.4415 -3.4131 -3.4131 -3.4016 -3.4016 -0.2433 -0.2433 -0.1179 -0.1179 0.4170 0.4170 0.7067 0.7067 1.0177 1.0177 1.1383 1.1383 1.4365 1.4365 1.6237 1.6237 1.6991 1.6991 1.7212 1.7212 1.9843 1.9843 2.1297 2.1297 2.2900 2.2900 2.4758 2.4758 2.6816 2.6816 2.7585 2.7585 3.1219 3.1219 3.1719 3.1719 6.9192 6.9192 7.8957 7.8957 8.3344 8.3344 8.4359 8.4359 8.5404 8.5404 8.6908 8.6908 8.9219 8.9219 9.2872 9.2872 k = 0.5000 0.2887 0.1018 ( 33248 PWs) bands (ev): -72.0501 -72.0501 -72.0498 -72.0498 -39.0047 -39.0047 -39.0033 -39.0033 -38.7184 -38.7184 -38.7149 -38.7149 -38.7144 -38.7144 -38.7139 -38.7139 -16.1226 -16.1226 -16.1211 -16.1211 -8.4912 -8.4912 -8.1235 -8.1235 -8.0045 -8.0045 -7.9738 -7.9738 -7.8868 -7.8868 -7.7664 -7.7664 -4.8771 -4.8771 -4.8706 -4.8706 -3.4608 -3.4608 -3.4416 -3.4416 -3.4130 -3.4130 -3.4013 -3.4013 -0.2455 -0.2455 -0.1228 -0.1228 0.4071 0.4071 0.7197 0.7197 1.0281 1.0281 1.1403 1.1403 1.4179 1.4179 1.6195 1.6195 1.6873 1.6873 1.7551 1.7551 1.9676 1.9676 2.1306 2.1306 2.2714 2.2714 2.4800 2.4800 2.6825 2.6825 2.7537 2.7537 3.1356 3.1356 3.1761 3.1761 6.9028 6.9028 7.9165 7.9165 8.3378 8.3378 8.4141 8.4141 8.5302 8.5302 8.6784 8.6784 8.9597 8.9597 9.2952 9.2952 k = 0.5000 0.2887 0.0763 ( 33244 PWs) bands (ev): -72.0501 -72.0501 -72.0498 -72.0498 -39.0047 -39.0047 -39.0033 -39.0033 -38.7184 -38.7184 -38.7149 -38.7149 -38.7144 -38.7144 -38.7138 -38.7138 -16.1226 -16.1226 -16.1211 -16.1211 -8.4949 -8.4949 -8.1245 -8.1245 -8.0065 -8.0065 -7.9695 -7.9695 -7.8846 -7.8846 -7.7644 -7.7644 -4.8774 -4.8774 -4.8707 -4.8707 -3.4614 -3.4614 -3.4417 -3.4417 -3.4128 -3.4128 -3.4011 -3.4011 -0.2472 -0.2472 -0.1269 -0.1269 0.3995 0.3995 0.7308 0.7308 1.0370 1.0370 1.1421 1.1421 1.4001 1.4001 1.6197 1.6197 1.6742 1.6742 1.7867 1.7867 1.9542 1.9542 2.1327 2.1327 2.2525 2.2525 2.4834 2.4834 2.6850 2.6850 2.7469 2.7469 3.1477 3.1477 3.1792 3.1792 6.8899 6.8899 7.9350 7.9350 8.3411 8.3411 8.3967 8.3967 8.5225 8.5225 8.6691 8.6691 8.9628 8.9628 9.3496 9.3496 k = 0.5000 0.2887 0.0509 ( 33224 PWs) bands (ev): -72.0501 -72.0501 -72.0498 -72.0498 -39.0047 -39.0047 -39.0033 -39.0033 -38.7184 -38.7184 -38.7149 -38.7149 -38.7144 -38.7144 -38.7138 -38.7138 -16.1226 -16.1226 -16.1211 -16.1211 -8.4975 -8.4975 -8.1253 -8.1253 -8.0079 -8.0079 -7.9665 -7.9665 -7.8831 -7.8831 -7.7630 -7.7630 -4.8775 -4.8775 -4.8708 -4.8708 -3.4618 -3.4618 -3.4418 -3.4418 -3.4127 -3.4127 -3.4009 -3.4009 -0.2484 -0.2484 -0.1301 -0.1301 0.3941 0.3941 0.7393 0.7393 1.0439 1.0439 1.1435 1.1435 1.3854 1.3854 1.6235 1.6235 1.6615 1.6615 1.8125 1.8125 1.9440 1.9440 2.1355 2.1355 2.2352 2.2352 2.4859 2.4859 2.6887 2.6887 2.7395 2.7395 3.1573 3.1573 3.1812 3.1812 6.8806 6.8806 7.9496 7.9496 8.3437 8.3437 8.3843 8.3843 8.5175 8.5175 8.6626 8.6626 8.9484 8.9484 9.4203 9.4203 k = 0.5000 0.2887 0.0254 ( 33192 PWs) bands (ev): -72.0501 -72.0501 -72.0498 -72.0498 -39.0047 -39.0047 -39.0032 -39.0032 -38.7184 -38.7184 -38.7149 -38.7149 -38.7144 -38.7144 -38.7138 -38.7138 -16.1226 -16.1226 -16.1211 -16.1211 -8.4991 -8.4991 -8.1257 -8.1257 -8.0088 -8.0088 -7.9646 -7.9646 -7.8821 -7.8821 -7.7621 -7.7621 -4.8776 -4.8776 -4.8708 -4.8708 -3.4621 -3.4621 -3.4419 -3.4419 -3.4127 -3.4127 -3.4008 -3.4008 -0.2491 -0.2491 -0.1320 -0.1320 0.3910 0.3910 0.7447 0.7447 1.0484 1.0484 1.1444 1.1444 1.3758 1.3758 1.6298 1.6298 1.6498 1.6498 1.8297 1.8297 1.9374 1.9374 2.1384 2.1384 2.2226 2.2226 2.4875 2.4875 2.6924 2.6924 2.7333 2.7333 3.1636 3.1636 3.1821 3.1821 6.8750 6.8750 7.9591 7.9591 8.3452 8.3452 8.3769 8.3769 8.5150 8.5150 8.6588 8.6588 8.9341 8.9341 9.4419 9.4419 k = 0.5000 0.2887-0.0000 ( 33212 PWs) bands (ev): -72.0501 -72.0501 -72.0498 -72.0498 -39.0047 -39.0047 -39.0032 -39.0032 -38.7184 -38.7184 -38.7149 -38.7149 -38.7144 -38.7144 -38.7138 -38.7138 -16.1226 -16.1226 -16.1211 -16.1211 -8.4997 -8.4997 -8.1259 -8.1259 -8.0091 -8.0091 -7.9640 -7.9640 -7.8818 -7.8818 -7.7618 -7.7618 -4.8777 -4.8777 -4.8708 -4.8708 -3.4622 -3.4622 -3.4419 -3.4419 -3.4127 -3.4127 -3.4008 -3.4008 -0.2494 -0.2494 -0.1327 -0.1327 0.3899 0.3899 0.7466 0.7466 1.0500 1.0500 1.1447 1.1447 1.3724 1.3724 1.6362 1.6362 1.6417 1.6417 1.8358 1.8358 1.9350 1.9350 2.1397 2.1397 2.2178 2.2178 2.4880 2.4880 2.6941 2.6941 2.7307 2.7307 3.1658 3.1658 3.1823 3.1823 6.8731 6.8731 7.9624 7.9624 8.3457 8.3457 8.3745 8.3745 8.5142 8.5142 8.6575 8.6575 8.9285 8.9285 9.4439 9.4439 k = 0.3333 0.5774-0.0000 ( 33264 PWs) bands (ev): -72.0501 -72.0501 -72.0498 -72.0498 -39.0047 -39.0047 -39.0033 -39.0033 -38.7184 -38.7184 -38.7149 -38.7149 -38.7145 -38.7145 -38.7138 -38.7138 -16.1218 -16.1218 -16.1218 -16.1218 -8.4876 -8.4876 -8.0900 -8.0900 -8.0873 -8.0873 -7.9621 -7.9621 -7.8118 -7.8118 -7.8115 -7.8115 -4.8727 -4.8727 -4.8704 -4.8704 -3.4465 -3.4465 -3.4446 -3.4446 -3.4061 -3.4061 -3.4032 -3.4032 -0.1595 -0.1595 -0.1369 -0.1369 0.5426 0.5426 0.6463 0.6463 1.0321 1.0321 1.1913 1.1913 1.2383 1.2383 1.4563 1.4563 1.5131 1.5131 2.0062 2.0062 2.0815 2.0815 2.2546 2.2546 2.2940 2.2940 2.3979 2.3979 2.5429 2.5429 2.7416 2.7416 2.9766 2.9766 3.0912 3.0912 6.8409 6.8409 8.4315 8.4315 8.8353 8.8353 8.8757 8.8757 8.8822 8.8822 8.9055 8.9055 8.9060 8.9060 9.1575 9.1575 k = 0.3333 0.5774 0.0254 ( 33255 PWs) bands (ev): -72.0501 -72.0501 -72.0498 -72.0498 -39.0047 -39.0047 -39.0033 -39.0033 -38.7184 -38.7184 -38.7149 -38.7149 -38.7145 -38.7145 -38.7138 -38.7138 -16.1218 -16.1218 -16.1218 -16.1218 -8.4870 -8.4870 -8.0898 -8.0898 -8.0871 -8.0871 -7.9628 -7.9628 -7.8120 -7.8120 -7.8118 -7.8118 -4.8727 -4.8727 -4.8704 -4.8704 -3.4464 -3.4464 -3.4446 -3.4446 -3.4061 -3.4061 -3.4032 -3.4032 -0.1595 -0.1595 -0.1357 -0.1357 0.5429 0.5429 0.6453 0.6453 1.0302 1.0302 1.1824 1.1824 1.2469 1.2469 1.4603 1.4603 1.5142 1.5142 2.0003 2.0003 2.0836 2.0836 2.2518 2.2518 2.3012 2.3012 2.3950 2.3950 2.5431 2.5431 2.7446 2.7446 2.9755 2.9755 3.0891 3.0891 6.8436 6.8436 8.4247 8.4247 8.8312 8.8312 8.8528 8.8528 8.8534 8.8534 8.9337 8.9337 8.9346 8.9346 9.1379 9.1379 k = 0.3333 0.5774 0.0509 ( 33225 PWs) bands (ev): -72.0501 -72.0501 -72.0498 -72.0498 -39.0047 -39.0047 -39.0033 -39.0033 -38.7184 -38.7184 -38.7149 -38.7149 -38.7144 -38.7144 -38.7138 -38.7138 -16.1218 -16.1218 -16.1218 -16.1218 -8.4854 -8.4854 -8.0892 -8.0892 -8.0865 -8.0865 -7.9649 -7.9649 -7.8128 -7.8128 -7.8126 -7.8126 -4.8726 -4.8726 -4.8703 -4.8703 -3.4462 -3.4462 -3.4444 -3.4444 -3.4062 -3.4062 -3.4034 -3.4034 -0.1591 -0.1591 -0.1321 -0.1321 0.5438 0.5438 0.6425 0.6425 1.0244 1.0244 1.1647 1.1647 1.2636 1.2636 1.4720 1.4720 1.5175 1.5175 1.9847 1.9847 2.0888 2.0888 2.2470 2.2470 2.3183 2.3183 2.3868 2.3868 2.5435 2.5435 2.7532 2.7532 2.9722 2.9722 3.0828 3.0828 6.8515 6.8515 8.4051 8.4051 8.7996 8.7996 8.8154 8.8154 8.8503 8.8503 8.9698 8.9698 8.9729 8.9729 9.1016 9.1016 k = 0.3333 0.5774 0.0763 ( 33240 PWs) bands (ev): -72.0501 -72.0501 -72.0498 -72.0498 -39.0047 -39.0047 -39.0033 -39.0033 -38.7184 -38.7184 -38.7149 -38.7149 -38.7144 -38.7144 -38.7138 -38.7138 -16.1218 -16.1218 -16.1218 -16.1218 -8.4827 -8.4827 -8.0882 -8.0882 -8.0855 -8.0855 -7.9683 -7.9683 -7.8141 -7.8141 -7.8139 -7.8139 -4.8725 -4.8725 -4.8702 -4.8702 -3.4458 -3.4458 -3.4440 -3.4440 -3.4063 -3.4063 -3.4037 -3.4037 -0.1584 -0.1584 -0.1264 -0.1264 0.5454 0.5454 0.6379 0.6379 1.0153 1.0153 1.1453 1.1453 1.2810 1.2810 1.4906 1.4906 1.5227 1.5227 1.9633 1.9633 2.0957 2.0957 2.2433 2.2433 2.3400 2.3400 2.3744 2.3744 2.5438 2.5438 2.7664 2.7664 2.9660 2.9660 3.0730 3.0730 6.8646 6.8646 8.3748 8.3748 8.7599 8.7599 8.7773 8.7773 8.8600 8.8600 9.0042 9.0042 9.0045 9.0045 9.0695 9.0695 k = 0.3333 0.5774 0.1018 ( 33258 PWs) bands (ev): -72.0501 -72.0501 -72.0498 -72.0498 -39.0047 -39.0047 -39.0033 -39.0033 -38.7184 -38.7184 -38.7150 -38.7150 -38.7144 -38.7144 -38.7138 -38.7138 -16.1218 -16.1218 -16.1218 -16.1218 -8.4789 -8.4789 -8.0868 -8.0868 -8.0841 -8.0841 -7.9731 -7.9731 -7.8159 -7.8159 -7.8156 -7.8156 -4.8722 -4.8722 -4.8701 -4.8701 -3.4452 -3.4452 -3.4435 -3.4435 -3.4065 -3.4065 -3.4040 -3.4040 -0.1574 -0.1574 -0.1188 -0.1188 0.5479 0.5479 0.6319 0.6319 1.0035 1.0035 1.1264 1.1264 1.2968 1.2968 1.5152 1.5152 1.5293 1.5293 1.9394 1.9394 2.1038 2.1038 2.2413 2.2413 2.3594 2.3594 2.3635 2.3635 2.5439 2.5439 2.7830 2.7830 2.9564 2.9564 3.0607 3.0607 6.8828 6.8828 8.3366 8.3366 8.7206 8.7206 8.7401 8.7401 8.8747 8.8747 9.0008 9.0008 9.0365 9.0365 9.0713 9.0713 k = 0.3333 0.5774 0.1272 ( 33240 PWs) bands (ev): -72.0501 -72.0501 -72.0498 -72.0498 -39.0047 -39.0047 -39.0033 -39.0033 -38.7183 -38.7183 -38.7150 -38.7150 -38.7144 -38.7144 -38.7138 -38.7138 -16.1218 -16.1218 -16.1218 -16.1218 -8.4740 -8.4740 -8.0850 -8.0850 -8.0824 -8.0824 -7.9792 -7.9792 -7.8181 -7.8181 -7.8179 -7.8179 -4.8720 -4.8720 -4.8699 -4.8699 -3.4445 -3.4445 -3.4430 -3.4430 -3.4068 -3.4068 -3.4045 -3.4045 -0.1559 -0.1559 -0.1097 -0.1097 0.5514 0.5514 0.6247 0.6247 0.9896 0.9896 1.1088 1.1088 1.3097 1.3097 1.5367 1.5367 1.5448 1.5448 1.9160 1.9160 2.1130 2.1130 2.2408 2.2408 2.3430 2.3430 2.3869 2.3869 2.5437 2.5437 2.8016 2.8016 2.9422 2.9422 3.0474 3.0474 6.9060 6.9060 8.2932 8.2932 8.6829 8.6829 8.7044 8.7044 8.8936 8.8936 8.9708 8.9708 9.0647 9.0647 9.0991 9.0991 k = 0.3333 0.5774 0.1527 ( 33300 PWs) bands (ev): -72.0501 -72.0501 -72.0499 -72.0499 -39.0047 -39.0047 -39.0033 -39.0033 -38.7183 -38.7183 -38.7151 -38.7151 -38.7144 -38.7144 -38.7139 -38.7139 -16.1218 -16.1218 -16.1218 -16.1218 -8.4681 -8.4681 -8.0828 -8.0828 -8.0802 -8.0802 -7.9865 -7.9865 -7.8209 -7.8209 -7.8206 -7.8206 -4.8716 -4.8716 -4.8697 -4.8697 -3.4436 -3.4436 -3.4423 -3.4423 -3.4070 -3.4070 -3.4051 -3.4051 -0.1540 -0.1540 -0.0993 -0.0993 0.5563 0.5563 0.6168 0.6168 0.9741 0.9741 1.0930 1.0930 1.3191 1.3191 1.5437 1.5437 1.5784 1.5784 1.8954 1.8954 2.1231 2.1231 2.2419 2.2419 2.3263 2.3263 2.4089 2.4089 2.5432 2.5432 2.8211 2.8211 2.9222 2.9222 3.0347 3.0347 6.9337 6.9337 8.2469 8.2469 8.6476 8.6476 8.6707 8.6707 8.9133 8.9133 8.9421 8.9421 9.0877 9.0877 9.1267 9.1267 k = 0.3333 0.5774 0.1781 ( 33306 PWs) bands (ev): -72.0501 -72.0501 -72.0499 -72.0499 -39.0046 -39.0046 -39.0034 -39.0034 -38.7182 -38.7182 -38.7151 -38.7151 -38.7144 -38.7144 -38.7139 -38.7139 -16.1218 -16.1218 -16.1218 -16.1218 -8.4612 -8.4612 -8.0803 -8.0803 -8.0778 -8.0778 -7.9951 -7.9951 -7.8240 -7.8240 -7.8237 -7.8237 -4.8713 -4.8713 -4.8695 -4.8695 -3.4427 -3.4427 -3.4415 -3.4415 -3.4073 -3.4073 -3.4057 -3.4057 -0.1516 -0.1516 -0.0881 -0.0881 0.5627 0.5627 0.6086 0.6086 0.9572 0.9572 1.0794 1.0794 1.3242 1.3242 1.5492 1.5492 1.6149 1.6149 1.8798 1.8798 2.1340 2.1340 2.2446 2.2446 2.3103 2.3103 2.4285 2.4285 2.5425 2.5425 2.8404 2.8404 2.8960 2.8960 3.0237 3.0237 6.9659 6.9659 8.1996 8.1996 8.6151 8.6151 8.6395 8.6395 8.9021 8.9021 8.9504 8.9504 9.1038 9.1038 9.1482 9.1482 k = 0.3333 0.5774 0.2036 ( 33300 PWs) bands (ev): -72.0501 -72.0501 -72.0499 -72.0499 -39.0046 -39.0046 -39.0034 -39.0034 -38.7182 -38.7182 -38.7152 -38.7152 -38.7144 -38.7144 -38.7139 -38.7139 -16.1218 -16.1218 -16.1218 -16.1218 -8.4532 -8.4532 -8.0775 -8.0775 -8.0750 -8.0750 -8.0049 -8.0049 -7.8275 -7.8275 -7.8273 -7.8273 -4.8708 -4.8708 -4.8692 -4.8692 -3.4416 -3.4416 -3.4406 -3.4406 -3.4077 -3.4077 -3.4064 -3.4064 -0.1488 -0.1488 -0.0766 -0.0766 0.5710 0.5710 0.6003 0.6003 0.9393 0.9393 1.0683 1.0683 1.3247 1.3247 1.5523 1.5523 1.6536 1.6536 1.8705 1.8705 2.1451 2.1451 2.2495 2.2495 2.2955 2.2955 2.4450 2.4450 2.5417 2.5417 2.8589 2.8589 2.8639 2.8639 3.0145 3.0145 7.0022 7.0022 8.1526 8.1526 8.5859 8.5859 8.6114 8.6114 8.8758 8.8758 8.9808 8.9808 9.1104 9.1104 9.1593 9.1593 k = 0.3333 0.5774 0.2290 ( 33261 PWs) bands (ev): -72.0501 -72.0501 -72.0499 -72.0499 -39.0046 -39.0046 -39.0034 -39.0034 -38.7181 -38.7181 -38.7152 -38.7152 -38.7144 -38.7144 -38.7139 -38.7139 -16.1218 -16.1218 -16.1218 -16.1218 -8.4443 -8.4443 -8.0744 -8.0744 -8.0719 -8.0719 -8.0158 -8.0158 -7.8314 -7.8314 -7.8311 -7.8311 -4.8704 -4.8704 -4.8690 -4.8690 -3.4404 -3.4404 -3.4396 -3.4396 -3.4081 -3.4081 -3.4072 -3.4072 -0.1457 -0.1457 -0.0651 -0.0651 0.5814 0.5814 0.5925 0.5925 0.9204 0.9204 1.0600 1.0600 1.3200 1.3200 1.5529 1.5529 1.6936 1.6936 1.8681 1.8681 2.1558 2.1558 2.2571 2.2571 2.2824 2.2824 2.4579 2.4579 2.5411 2.5411 2.8273 2.8273 2.8758 2.8758 3.0067 3.0067 7.0421 7.0421 8.1069 8.1069 8.5605 8.5605 8.5868 8.5868 8.8518 8.8518 9.0160 9.0160 9.1028 9.1028 9.1545 9.1545 k = 0.3333 0.5774 0.2545 ( 33279 PWs) bands (ev): -72.0501 -72.0501 -72.0499 -72.0499 -39.0046 -39.0046 -39.0034 -39.0034 -38.7180 -38.7180 -38.7153 -38.7153 -38.7144 -38.7144 -38.7139 -38.7139 -16.1217 -16.1217 -16.1217 -16.1217 -8.4344 -8.4344 -8.0710 -8.0710 -8.0685 -8.0685 -8.0277 -8.0277 -7.8356 -7.8356 -7.8353 -7.8353 -4.8699 -4.8699 -4.8687 -4.8687 -3.4392 -3.4392 -3.4387 -3.4387 -3.4085 -3.4085 -3.4079 -3.4079 -0.1422 -0.1422 -0.0542 -0.0542 0.5854 0.5854 0.5939 0.5939 0.9009 0.9009 1.0548 1.0548 1.3100 1.3100 1.5516 1.5516 1.7340 1.7340 1.8720 1.8720 2.1654 2.1654 2.2676 2.2676 2.2713 2.2713 2.4667 2.4667 2.5408 2.5408 2.7875 2.7875 2.8906 2.8906 2.9998 2.9998 7.0853 7.0853 8.0632 8.0632 8.5390 8.5390 8.5659 8.5659 8.8314 8.8314 9.0531 9.0531 9.0742 9.0742 9.1275 9.1275 k = 0.3333 0.5774 0.2799 ( 33273 PWs) bands (ev): -72.0500 -72.0500 -72.0499 -72.0499 -39.0045 -39.0045 -39.0034 -39.0034 -38.7180 -38.7180 -38.7154 -38.7154 -38.7144 -38.7144 -38.7139 -38.7139 -16.1217 -16.1217 -16.1217 -16.1217 -8.4237 -8.4237 -8.0674 -8.0674 -8.0650 -8.0650 -8.0406 -8.0406 -7.8400 -7.8400 -7.8397 -7.8397 -4.8695 -4.8695 -4.8684 -4.8684 -3.4380 -3.4380 -3.4376 -3.4376 -3.4091 -3.4091 -3.4085 -3.4085 -0.1383 -0.1383 -0.0443 -0.0443 0.5792 0.5792 0.6087 0.6087 0.8807 0.8807 1.0531 1.0531 1.2948 1.2948 1.5496 1.5496 1.7742 1.7742 1.8807 1.8807 2.1735 2.1735 2.2626 2.2626 2.2809 2.2809 2.4714 2.4714 2.5410 2.5410 2.7464 2.7465 2.9029 2.9029 2.9932 2.9932 7.1312 7.1312 8.0219 8.0219 8.5216 8.5216 8.5489 8.5489 8.8152 8.8152 9.0221 9.0221 9.0586 9.0586 9.1100 9.1100 k = 0.3333 0.5774 0.3053 ( 33261 PWs) bands (ev): -72.0500 -72.0500 -72.0499 -72.0499 -39.0045 -39.0045 -39.0035 -39.0035 -38.7179 -38.7179 -38.7154 -38.7154 -38.7144 -38.7144 -38.7139 -38.7139 -16.1217 -16.1217 -16.1217 -16.1217 -8.4120 -8.4120 -8.0636 -8.0636 -8.0613 -8.0613 -8.0544 -8.0544 -7.8446 -7.8446 -7.8443 -7.8443 -4.8690 -4.8690 -4.8681 -4.8681 -3.4367 -3.4367 -3.4366 -3.4366 -3.4098 -3.4098 -3.4089 -3.4089 -0.1341 -0.1341 -0.0355 -0.0355 0.5742 0.5742 0.6257 0.6257 0.8601 0.8601 1.0549 1.0549 1.2750 1.2750 1.5475 1.5475 1.8132 1.8132 1.8927 1.8927 2.1799 2.1799 2.2565 2.2565 2.2959 2.2959 2.4719 2.4719 2.5420 2.5420 2.7062 2.7062 2.9124 2.9124 2.9863 2.9863 7.1792 7.1792 7.9832 7.9832 8.5084 8.5084 8.5359 8.5359 8.8035 8.8035 8.9564 8.9564 8.9948 8.9948 9.1500 9.1500 k = 0.3333 0.5774 0.3308 ( 33216 PWs) bands (ev): -72.0500 -72.0500 -72.0499 -72.0499 -39.0044 -39.0044 -39.0035 -39.0035 -38.7178 -38.7178 -38.7155 -38.7155 -38.7143 -38.7143 -38.7139 -38.7139 -16.1217 -16.1217 -16.1217 -16.1217 -8.3995 -8.3995 -8.0690 -8.0690 -8.0597 -8.0597 -8.0573 -8.0573 -7.8493 -7.8493 -7.8490 -7.8490 -4.8685 -4.8685 -4.8679 -4.8679 -3.4356 -3.4356 -3.4354 -3.4354 -3.4106 -3.4106 -3.4093 -3.4093 -0.1296 -0.1296 -0.0283 -0.0283 0.5706 0.5706 0.6444 0.6444 0.8391 0.8391 1.0606 1.0606 1.2514 1.2514 1.5458 1.5458 1.8503 1.8503 1.9065 1.9065 2.1848 2.1848 2.2530 2.2530 2.3106 2.3106 2.4680 2.4680 2.5439 2.5439 2.6698 2.6698 2.9188 2.9188 2.9787 2.9787 7.2287 7.2287 7.9470 7.9470 8.4989 8.4989 8.5264 8.5264 8.7968 8.7968 8.8883 8.8883 8.9238 8.9238 9.1801 9.1801 k = 0.3333 0.5774 0.3562 ( 33213 PWs) bands (ev): -72.0500 -72.0500 -72.0499 -72.0499 -39.0044 -39.0044 -39.0035 -39.0035 -38.7177 -38.7177 -38.7156 -38.7156 -38.7143 -38.7143 -38.7139 -38.7139 -16.1217 -16.1217 -16.1217 -16.1217 -8.3862 -8.3862 -8.0843 -8.0843 -8.0557 -8.0557 -8.0534 -8.0534 -7.8541 -7.8541 -7.8537 -7.8537 -4.8681 -4.8681 -4.8676 -4.8676 -3.4346 -3.4346 -3.4342 -3.4342 -3.4114 -3.4114 -3.4097 -3.4097 -0.1248 -0.1248 -0.0226 -0.0226 0.5684 0.5684 0.6646 0.6646 0.8180 0.8180 1.0703 1.0703 1.2254 1.2254 1.5445 1.5445 1.8846 1.8846 1.9210 1.9210 2.1883 2.1883 2.2521 2.2521 2.3221 2.3221 2.4604 2.4604 2.5470 2.5470 2.6408 2.6408 2.9222 2.9222 2.9699 2.9699 7.2790 7.2790 7.9134 7.9134 8.4925 8.4925 8.5196 8.5196 8.7949 8.7949 8.8245 8.8245 8.8575 8.8575 9.1566 9.1566 k = 0.3333 0.5774 0.3817 ( 33198 PWs) bands (ev): -72.0500 -72.0500 -72.0499 -72.0499 -39.0043 -39.0043 -39.0036 -39.0036 -38.7176 -38.7176 -38.7157 -38.7157 -38.7143 -38.7143 -38.7140 -38.7140 -16.1217 -16.1217 -16.1217 -16.1217 -8.3722 -8.3722 -8.1003 -8.1003 -8.0517 -8.0517 -8.0495 -8.0495 -7.8588 -7.8588 -7.8584 -7.8584 -4.8676 -4.8676 -4.8674 -4.8674 -3.4337 -3.4337 -3.4331 -3.4331 -3.4122 -3.4122 -3.4100 -3.4100 -0.1199 -0.1199 -0.0185 -0.0185 0.5679 0.5679 0.6857 0.6857 0.7970 0.7970 1.0838 1.0838 1.1979 1.1979 1.5432 1.5432 1.9155 1.9155 1.9353 1.9353 2.1899 2.1899 2.2537 2.2537 2.3267 2.3267 2.4502 2.4502 2.5516 2.5516 2.6229 2.6229 2.9226 2.9226 2.9595 2.9595 7.3293 7.3293 7.8820 7.8820 8.4875 8.4875 8.5136 8.5136 8.7698 8.7698 8.7870 8.7870 8.8118 8.8118 9.1305 9.1305 k = 0.3333 0.5774 0.4071 ( 33219 PWs) bands (ev): -72.0500 -72.0500 -72.0499 -72.0499 -39.0043 -39.0043 -39.0036 -39.0036 -38.7175 -38.7175 -38.7158 -38.7158 -38.7143 -38.7143 -38.7140 -38.7140 -16.1217 -16.1217 -16.1217 -16.1217 -8.3575 -8.3575 -8.1168 -8.1168 -8.0479 -8.0478 -8.0457 -8.0457 -7.8634 -7.8634 -7.8630 -7.8630 -4.8672 -4.8672 -4.8671 -4.8671 -3.4328 -3.4328 -3.4320 -3.4320 -3.4129 -3.4129 -3.4103 -3.4103 -0.1150 -0.1150 -0.0159 -0.0159 0.5690 0.5690 0.7071 0.7071 0.7763 0.7763 1.1009 1.1009 1.1702 1.1702 1.5415 1.5415 1.9423 1.9423 1.9488 1.9488 2.1885 2.1886 2.2574 2.2574 2.3231 2.3231 2.4394 2.4394 2.5579 2.5579 2.6179 2.6179 2.9201 2.9201 2.9473 2.9473 7.3789 7.3789 7.8527 7.8527 8.4819 8.4819 8.5057 8.5057 8.7283 8.7283 8.7472 8.7472 8.8172 8.8172 9.1011 9.1011 k = 0.3333 0.5774 0.4326 ( 33222 PWs) bands (ev): -72.0500 -72.0500 -72.0499 -72.0499 -39.0043 -39.0043 -39.0037 -39.0037 -38.7174 -38.7174 -38.7159 -38.7159 -38.7142 -38.7142 -38.7140 -38.7140 -16.1216 -16.1216 -16.1216 -16.1216 -8.3422 -8.3422 -8.1338 -8.1338 -8.0442 -8.0442 -8.0420 -8.0420 -7.8677 -7.8677 -7.8673 -7.8673 -4.8669 -4.8669 -4.8669 -4.8669 -3.4320 -3.4320 -3.4310 -3.4310 -3.4135 -3.4135 -3.4105 -3.4105 -0.1100 -0.1100 -0.0146 -0.0146 0.5716 0.5716 0.7282 0.7282 0.7561 0.7561 1.1185 1.1185 1.1454 1.1454 1.5390 1.5390 1.9612 1.9612 1.9649 1.9649 2.1823 2.1823 2.2627 2.2627 2.3143 2.3143 2.4287 2.4287 2.5658 2.5658 2.6253 2.6253 2.9152 2.9152 2.9329 2.9329 7.4271 7.4271 7.8249 7.8249 8.4726 8.4726 8.4928 8.4928 8.7038 8.7038 8.7173 8.7174 8.8360 8.8360 9.0684 9.0684 k = 0.3333 0.5774 0.4580 ( 33231 PWs) bands (ev): -72.0500 -72.0500 -72.0499 -72.0499 -39.0042 -39.0042 -39.0037 -39.0037 -38.7173 -38.7173 -38.7161 -38.7161 -38.7142 -38.7142 -38.7140 -38.7140 -16.1216 -16.1216 -16.1216 -16.1216 -8.3262 -8.3262 -8.1511 -8.1511 -8.0408 -8.0408 -8.0387 -8.0387 -7.8716 -7.8716 -7.8712 -7.8712 -4.8667 -4.8667 -4.8665 -4.8665 -3.4313 -3.4313 -3.4301 -3.4301 -3.4141 -3.4141 -3.4107 -3.4107 -0.1053 -0.1053 -0.0144 -0.0144 0.5758 0.5758 0.7367 0.7367 0.7485 0.7485 1.1107 1.1107 1.1497 1.1497 1.5355 1.5355 1.9724 1.9724 1.9832 1.9832 2.1693 2.1693 2.2688 2.2688 2.3067 2.3067 2.4173 2.4173 2.5752 2.5752 2.6422 2.6422 2.9082 2.9082 2.9163 2.9163 7.4733 7.4733 7.7984 7.7984 8.4584 8.4584 8.4741 8.4741 8.6972 8.6972 8.7047 8.7047 8.8631 8.8631 9.0327 9.0327 k = 0.3333 0.5774 0.4835 ( 33237 PWs) bands (ev): -72.0500 -72.0500 -72.0499 -72.0499 -39.0042 -39.0042 -39.0038 -39.0038 -38.7171 -38.7171 -38.7162 -38.7162 -38.7142 -38.7142 -38.7140 -38.7140 -16.1216 -16.1216 -16.1216 -16.1216 -8.3098 -8.3098 -8.1688 -8.1688 -8.0378 -8.0378 -8.0357 -8.0357 -7.8751 -7.8751 -7.8746 -7.8746 -4.8666 -4.8666 -4.8663 -4.8663 -3.4307 -3.4307 -3.4294 -3.4294 -3.4146 -3.4146 -3.4109 -3.4109 -0.1008 -0.1008 -0.0149 -0.0149 0.5813 0.5813 0.7186 0.7186 0.7673 0.7673 1.0876 1.0876 1.1722 1.1722 1.5308 1.5308 1.9822 1.9822 1.9974 1.9974 2.1503 2.1503 2.2749 2.2749 2.3046 2.3046 2.4049 2.4049 2.5854 2.5854 2.6652 2.6652 2.8976 2.8976 2.9000 2.9000 7.5168 7.5168 7.7725 7.7725 8.4406 8.4406 8.4528 8.4528 8.7056 8.7056 8.7081 8.7081 8.8985 8.8985 8.9948 8.9948 k = 0.3333 0.5774 0.5089 ( 33264 PWs) bands (ev): -72.0500 -72.0500 -72.0499 -72.0499 -39.0041 -39.0041 -39.0038 -39.0038 -38.7170 -38.7170 -38.7163 -38.7163 -38.7142 -38.7142 -38.7141 -38.7141 -16.1216 -16.1216 -16.1216 -16.1216 -8.2930 -8.2930 -8.1866 -8.1866 -8.0353 -8.0353 -8.0332 -8.0332 -7.8779 -7.8779 -7.8775 -7.8775 -4.8665 -4.8665 -4.8660 -4.8660 -3.4302 -3.4302 -3.4288 -3.4288 -3.4150 -3.4150 -3.4110 -3.4110 -0.0970 -0.0970 -0.0158 -0.0158 0.5876 0.5876 0.7022 0.7022 0.7839 0.7839 1.0665 1.0665 1.1948 1.1948 1.5253 1.5253 1.9906 1.9906 2.0079 2.0079 2.1289 2.1289 2.2804 2.2804 2.3079 2.3079 2.3918 2.3918 2.5957 2.5957 2.6913 2.6913 2.8772 2.8772 2.8916 2.8916 7.5572 7.5572 7.7467 7.7467 8.4227 8.4227 8.4326 8.4326 8.7239 8.7239 8.7245 8.7245 8.9415 8.9415 8.9557 8.9557 k = 0.3333 0.5774 0.5343 ( 33264 PWs) bands (ev): -72.0500 -72.0500 -72.0499 -72.0499 -39.0041 -39.0041 -39.0039 -39.0039 -38.7169 -38.7169 -38.7164 -38.7164 -38.7142 -38.7142 -38.7141 -38.7141 -16.1216 -16.1216 -16.1216 -16.1216 -8.2757 -8.2757 -8.2045 -8.2045 -8.0334 -8.0334 -8.0314 -8.0314 -7.8801 -7.8801 -7.8796 -7.8796 -4.8664 -4.8664 -4.8659 -4.8659 -3.4299 -3.4299 -3.4284 -3.4284 -3.4153 -3.4153 -3.4111 -3.4111 -0.0940 -0.0940 -0.0169 -0.0169 0.5941 0.5941 0.6885 0.6885 0.7972 0.7972 1.0495 1.0495 1.2142 1.2142 1.5198 1.5198 1.9977 1.9977 2.0151 2.0151 2.1096 2.1096 2.2847 2.2847 2.3149 2.3149 2.3787 2.3787 2.6045 2.6045 2.7176 2.7176 2.8559 2.8559 2.8841 2.8841 7.5943 7.5943 7.7206 7.7206 8.4079 8.4079 8.4167 8.4167 8.7476 8.7476 8.7500 8.7500 8.9170 8.9170 8.9265 8.9265 k = 0.3333 0.5774 0.5598 ( 33237 PWs) bands (ev): -72.0500 -72.0500 -72.0500 -72.0500 -39.0040 -39.0040 -39.0039 -39.0039 -38.7168 -38.7168 -38.7165 -38.7165 -38.7142 -38.7142 -38.7141 -38.7141 -16.1216 -16.1216 -16.1216 -16.1216 -8.2582 -8.2582 -8.2225 -8.2225 -8.0323 -8.0323 -8.0302 -8.0302 -7.8814 -7.8814 -7.8809 -7.8809 -4.8663 -4.8663 -4.8658 -4.8658 -3.4297 -3.4297 -3.4281 -3.4281 -3.4154 -3.4154 -3.4112 -3.4112 -0.0920 -0.0920 -0.0176 -0.0176 0.5994 0.5994 0.6788 0.6788 0.8061 0.8061 1.0383 1.0383 1.2274 1.2274 1.5156 1.5156 2.0027 2.0027 2.0192 2.0192 2.0959 2.0959 2.2874 2.2874 2.3228 2.3228 2.3674 2.3674 2.6107 2.6107 2.7404 2.7404 2.8366 2.8366 2.8789 2.8789 7.6276 7.6276 7.6942 7.6942 8.3983 8.3983 8.4065 8.4065 8.7736 8.7736 8.7773 8.7773 8.8822 8.8822 8.8905 8.8905 k = 0.3333 0.5774 0.5852 ( 33246 PWs) bands (ev): -72.0500 -72.0500 -72.0500 -72.0500 -39.0040 -39.0040 -39.0040 -39.0040 -38.7167 -38.7167 -38.7167 -38.7167 -38.7141 -38.7141 -38.7141 -38.7141 -16.1216 -16.1216 -16.1216 -16.1216 -8.2411 -8.2411 -8.2398 -8.2398 -8.0319 -8.0319 -8.0299 -8.0299 -7.8819 -7.8819 -7.8814 -7.8814 -4.8663 -4.8663 -4.8658 -4.8658 -3.4296 -3.4296 -3.4280 -3.4280 -3.4155 -3.4155 -3.4112 -3.4112 -0.0914 -0.0914 -0.0179 -0.0179 0.6015 0.6015 0.6752 0.6752 0.8092 0.8092 1.0344 1.0344 1.2322 1.2322 1.5140 1.5140 2.0046 2.0046 2.0206 2.0206 2.0909 2.0909 2.2883 2.2883 2.3269 2.3269 2.3623 2.3623 2.6128 2.6128 2.7507 2.7507 2.8275 2.8275 2.8771 2.8771 7.6491 7.6491 7.6750 7.6750 8.3950 8.3950 8.4031 8.4031 8.7879 8.7879 8.7928 8.7928 8.8642 8.8642 8.8729 8.8729 Writing output data file CsMgI3.save init_run : 0.90s CPU 1.09s WALL ( 1 calls) electrons : 957.16s CPU 1018.66s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.07s CPU 0.12s WALL ( 1 calls) Called by electrons: c_bands : 957.15s CPU 1018.65s WALL ( 1 calls) v_of_rho : 0.02s CPU 0.02s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.02s CPU 0.02s WALL ( 1 calls) newd : 0.28s CPU 0.34s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.35s CPU 0.40s WALL ( 202 calls) cegterg : 886.96s CPU 892.09s WALL ( 372 calls) Called by sum_band: Called by *egterg: h_psi : 617.34s CPU 622.47s WALL ( 5895 calls) s_psi : 30.02s CPU 29.85s WALL ( 5895 calls) g_psi : 1.13s CPU 1.14s WALL ( 5321 calls) cdiaghg : 137.24s CPU 137.42s WALL ( 5523 calls) cegterg:over : 80.39s CPU 80.82s WALL ( 5321 calls) cegterg:upda : 39.66s CPU 39.70s WALL ( 5321 calls) cegterg:last : 22.36s CPU 22.36s WALL ( 896 calls) cdiaghg:chol : 6.46s CPU 6.32s WALL ( 5523 calls) cdiaghg:inve : 4.75s CPU 4.74s WALL ( 5523 calls) cdiaghg:para : 9.61s CPU 9.42s WALL ( 11046 calls) Called by h_psi: h_psi:vloc : 506.67s CPU 511.79s WALL ( 5895 calls) h_psi:vnl : 108.87s CPU 109.03s WALL ( 5895 calls) add_vuspsi : 40.57s CPU 40.70s WALL ( 5895 calls) General routines calbec : 68.26s CPU 68.31s WALL ( 5895 calls) fft : 0.03s CPU 0.04s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 484.15s CPU 488.64s WALL ( 971804 calls) interpolate : 0.01s CPU 0.01s WALL ( 4 calls) davcio : 0.26s CPU 55.69s WALL ( 404 calls) Parallel routines fft_scatter : 207.58s CPU 209.45s WALL ( 971827 calls) PWSCF : 17m34.98s CPU 19m 2.25s WALL This run was terminated on: 14:53:49 31Jan2017 =------------------------------------------------------------------------------= JOB DONE. 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