Program PWSCF v.5.3.0 (svn rev. 11974) starts on 31Jan2017 at 14:34:36 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: ./CsNiI3.save/ file Ni.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D 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 69 69 18 3295 3295 464 Max 70 70 20 3303 3303 467 Sum 4969 4969 1357 237551 237551 33553 bravais-lattice index = 14 lattice parameter (alat) = 15.0175 a.u. unit-cell volume = 2457.1621 (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 = 320.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 15.017463 celldm(2)= 1.000000 celldm(3)= 0.837748 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 0.837748 ) 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 1.193676 ) PseudoPot. # 1 for Ni read from file: /users/gautes/Pseudo/Ni.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 9d95a5a85785a32f0d1fefdc4874c578 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 1195 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for 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 Ni 10.00 58.69340 Ni( 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 ) ( 0.4188740 ) 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 ) ( 0.4188740 ) 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 ) ( 0.4188740 ) 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 ) ( 0.4188740 ) 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 ) ( 0.4188740 ) 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 ) ( 0.4188740 ) 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 ) ( 0.4188740 ) 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 ) ( 0.4188740 ) 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 ) ( 0.4188740 ) 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 ) ( 0.4188740 ) 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 ) ( 0.4188740 ) 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 ) ( 0.4188740 ) 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= 209 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0047847 k( 2) = ( 0.0217391 0.0125511 -0.0000000), wk = 0.0047847 k( 3) = ( 0.0434783 0.0251022 -0.0000000), wk = 0.0047847 k( 4) = ( 0.0652174 0.0376533 -0.0000000), wk = 0.0047847 k( 5) = ( 0.0869565 0.0502044 -0.0000000), wk = 0.0047847 k( 6) = ( 0.1086957 0.0627555 -0.0000000), wk = 0.0047847 k( 7) = ( 0.1304348 0.0753066 -0.0000000), wk = 0.0047847 k( 8) = ( 0.1521739 0.0878576 -0.0000000), wk = 0.0047847 k( 9) = ( 0.1739130 0.1004087 -0.0000000), wk = 0.0047847 k( 10) = ( 0.1956522 0.1129598 -0.0000000), wk = 0.0047847 k( 11) = ( 0.2173913 0.1255109 -0.0000000), wk = 0.0047847 k( 12) = ( 0.2391304 0.1380620 -0.0000000), wk = 0.0047847 k( 13) = ( 0.2608696 0.1506131 -0.0000000), wk = 0.0047847 k( 14) = ( 0.2826087 0.1631642 -0.0000000), wk = 0.0047847 k( 15) = ( 0.3043478 0.1757153 -0.0000000), wk = 0.0047847 k( 16) = ( 0.3260870 0.1882664 -0.0000000), wk = 0.0047847 k( 17) = ( 0.3478261 0.2008175 -0.0000000), wk = 0.0047847 k( 18) = ( 0.3695652 0.2133686 -0.0000000), wk = 0.0047847 k( 19) = ( 0.3913044 0.2259197 -0.0000000), wk = 0.0047847 k( 20) = ( 0.4130435 0.2384708 -0.0000000), wk = 0.0047847 k( 21) = ( 0.4347826 0.2510219 -0.0000000), wk = 0.0047847 k( 22) = ( 0.4565217 0.2635729 -0.0000000), wk = 0.0047847 k( 23) = ( 0.4782609 0.2761240 -0.0000000), wk = 0.0047847 k( 24) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0047847 k( 25) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0047847 k( 26) = ( 0.4880952 0.3092948 -0.0000000), wk = 0.0047847 k( 27) = ( 0.4761905 0.3299144 -0.0000000), wk = 0.0047847 k( 28) = ( 0.4642857 0.3505341 -0.0000000), wk = 0.0047847 k( 29) = ( 0.4523810 0.3711537 -0.0000000), wk = 0.0047847 k( 30) = ( 0.4404762 0.3917734 -0.0000000), wk = 0.0047847 k( 31) = ( 0.4285714 0.4123930 -0.0000000), wk = 0.0047847 k( 32) = ( 0.4166667 0.4330127 -0.0000000), wk = 0.0047847 k( 33) = ( 0.4047619 0.4536324 -0.0000000), wk = 0.0047847 k( 34) = ( 0.3928571 0.4742520 -0.0000000), wk = 0.0047847 k( 35) = ( 0.3809524 0.4948717 -0.0000000), wk = 0.0047847 k( 36) = ( 0.3690476 0.5154913 -0.0000000), wk = 0.0047847 k( 37) = ( 0.3571429 0.5361110 -0.0000000), wk = 0.0047847 k( 38) = ( 0.3452381 0.5567306 -0.0000000), wk = 0.0047847 k( 39) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0047847 k( 40) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0047847 k( 41) = ( 0.3209877 0.5559669 -0.0000000), wk = 0.0047847 k( 42) = ( 0.3086420 0.5345836 -0.0000000), wk = 0.0047847 k( 43) = ( 0.2962963 0.5132002 -0.0000000), wk = 0.0047847 k( 44) = ( 0.2839506 0.4918169 -0.0000000), wk = 0.0047847 k( 45) = ( 0.2716049 0.4704336 -0.0000000), wk = 0.0047847 k( 46) = ( 0.2592593 0.4490502 -0.0000000), wk = 0.0047847 k( 47) = ( 0.2469136 0.4276669 -0.0000000), wk = 0.0047847 k( 48) = ( 0.2345679 0.4062835 -0.0000000), wk = 0.0047847 k( 49) = ( 0.2222222 0.3849002 -0.0000000), wk = 0.0047847 k( 50) = ( 0.2098765 0.3635168 -0.0000000), wk = 0.0047847 k( 51) = ( 0.1975309 0.3421335 -0.0000000), wk = 0.0047847 k( 52) = ( 0.1851852 0.3207502 -0.0000000), wk = 0.0047847 k( 53) = ( 0.1728395 0.2993668 -0.0000000), wk = 0.0047847 k( 54) = ( 0.1604938 0.2779835 -0.0000000), wk = 0.0047847 k( 55) = ( 0.1481482 0.2566001 -0.0000000), wk = 0.0047847 k( 56) = ( 0.1358025 0.2352168 -0.0000000), wk = 0.0047847 k( 57) = ( 0.1234568 0.2138334 -0.0000000), wk = 0.0047847 k( 58) = ( 0.1111111 0.1924501 -0.0000000), wk = 0.0047847 k( 59) = ( 0.0987654 0.1710667 -0.0000000), wk = 0.0047847 k( 60) = ( 0.0864198 0.1496834 -0.0000000), wk = 0.0047847 k( 61) = ( 0.0740741 0.1283001 -0.0000000), wk = 0.0047847 k( 62) = ( 0.0617284 0.1069167 -0.0000000), wk = 0.0047847 k( 63) = ( 0.0493827 0.0855334 -0.0000000), wk = 0.0047847 k( 64) = ( 0.0370370 0.0641500 -0.0000000), wk = 0.0047847 k( 65) = ( 0.0246914 0.0427667 -0.0000000), wk = 0.0047847 k( 66) = ( 0.0123457 0.0213833 -0.0000000), wk = 0.0047847 k( 67) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0047847 k( 68) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0047847 k( 69) = ( 0.0000000 0.0000000 0.0248683), wk = 0.0047847 k( 70) = ( 0.0000000 0.0000000 0.0497365), wk = 0.0047847 k( 71) = ( 0.0000000 0.0000000 0.0746048), wk = 0.0047847 k( 72) = ( 0.0000000 0.0000000 0.0994730), wk = 0.0047847 k( 73) = ( 0.0000000 0.0000000 0.1243413), wk = 0.0047847 k( 74) = ( 0.0000000 0.0000000 0.1492095), wk = 0.0047847 k( 75) = ( 0.0000000 0.0000000 0.1740778), wk = 0.0047847 k( 76) = ( 0.0000000 0.0000000 0.1989461), wk = 0.0047847 k( 77) = ( 0.0000000 0.0000000 0.2238143), wk = 0.0047847 k( 78) = ( 0.0000000 0.0000000 0.2486826), wk = 0.0047847 k( 79) = ( 0.0000000 0.0000000 0.2735508), wk = 0.0047847 k( 80) = ( 0.0000000 0.0000000 0.2984191), wk = 0.0047847 k( 81) = ( 0.0000000 0.0000000 0.3232873), wk = 0.0047847 k( 82) = ( 0.0000000 0.0000000 0.3481556), wk = 0.0047847 k( 83) = ( 0.0000000 0.0000000 0.3730238), wk = 0.0047847 k( 84) = ( 0.0000000 0.0000000 0.3978921), wk = 0.0047847 k( 85) = ( 0.0000000 0.0000000 0.4227604), wk = 0.0047847 k( 86) = ( 0.0000000 0.0000000 0.4476286), wk = 0.0047847 k( 87) = ( 0.0000000 0.0000000 0.4724969), wk = 0.0047847 k( 88) = ( 0.0000000 0.0000000 0.4973651), wk = 0.0047847 k( 89) = ( 0.0000000 0.0000000 0.5222334), wk = 0.0047847 k( 90) = ( 0.0000000 0.0000000 0.5471016), wk = 0.0047847 k( 91) = ( 0.0000000 0.0000000 0.5719699), wk = 0.0047847 k( 92) = ( 0.0000000 0.0000000 0.5968382), wk = 0.0047847 k( 93) = ( 0.0000000 0.0000000 0.5968382), wk = 0.0047847 k( 94) = ( 0.0217391 0.0125511 0.5968382), wk = 0.0047847 k( 95) = ( 0.0434783 0.0251022 0.5968382), wk = 0.0047847 k( 96) = ( 0.0652174 0.0376533 0.5968382), wk = 0.0047847 k( 97) = ( 0.0869565 0.0502044 0.5968382), wk = 0.0047847 k( 98) = ( 0.1086957 0.0627555 0.5968382), wk = 0.0047847 k( 99) = ( 0.1304348 0.0753066 0.5968382), wk = 0.0047847 k( 100) = ( 0.1521739 0.0878576 0.5968382), wk = 0.0047847 k( 101) = ( 0.1739130 0.1004087 0.5968382), wk = 0.0047847 k( 102) = ( 0.1956522 0.1129598 0.5968382), wk = 0.0047847 k( 103) = ( 0.2173913 0.1255109 0.5968382), wk = 0.0047847 k( 104) = ( 0.2391304 0.1380620 0.5968382), wk = 0.0047847 k( 105) = ( 0.2608696 0.1506131 0.5968382), wk = 0.0047847 k( 106) = ( 0.2826087 0.1631642 0.5968382), wk = 0.0047847 k( 107) = ( 0.3043478 0.1757153 0.5968382), wk = 0.0047847 k( 108) = ( 0.3260870 0.1882664 0.5968382), wk = 0.0047847 k( 109) = ( 0.3478261 0.2008175 0.5968382), wk = 0.0047847 k( 110) = ( 0.3695652 0.2133686 0.5968382), wk = 0.0047847 k( 111) = ( 0.3913044 0.2259197 0.5968382), wk = 0.0047847 k( 112) = ( 0.4130435 0.2384708 0.5968382), wk = 0.0047847 k( 113) = ( 0.4347826 0.2510219 0.5968382), wk = 0.0047847 k( 114) = ( 0.4565217 0.2635729 0.5968382), wk = 0.0047847 k( 115) = ( 0.4782609 0.2761240 0.5968382), wk = 0.0047847 k( 116) = ( 0.5000000 0.2886751 0.5968382), wk = 0.0047847 k( 117) = ( 0.5000000 0.2886751 0.5968382), wk = 0.0047847 k( 118) = ( 0.4880952 0.3092948 0.5968382), wk = 0.0047847 k( 119) = ( 0.4761905 0.3299144 0.5968382), wk = 0.0047847 k( 120) = ( 0.4642857 0.3505341 0.5968382), wk = 0.0047847 k( 121) = ( 0.4523810 0.3711537 0.5968382), wk = 0.0047847 k( 122) = ( 0.4404762 0.3917734 0.5968382), wk = 0.0047847 k( 123) = ( 0.4285714 0.4123930 0.5968382), wk = 0.0047847 k( 124) = ( 0.4166667 0.4330127 0.5968382), wk = 0.0047847 k( 125) = ( 0.4047619 0.4536324 0.5968382), wk = 0.0047847 k( 126) = ( 0.3928571 0.4742520 0.5968382), wk = 0.0047847 k( 127) = ( 0.3809524 0.4948717 0.5968382), wk = 0.0047847 k( 128) = ( 0.3690476 0.5154913 0.5968382), wk = 0.0047847 k( 129) = ( 0.3571429 0.5361110 0.5968382), wk = 0.0047847 k( 130) = ( 0.3452381 0.5567306 0.5968382), wk = 0.0047847 k( 131) = ( 0.3333333 0.5773503 0.5968382), wk = 0.0047847 k( 132) = ( 0.3333333 0.5773503 0.5968382), wk = 0.0047847 k( 133) = ( 0.3209877 0.5559669 0.5968382), wk = 0.0047847 k( 134) = ( 0.3086420 0.5345836 0.5968382), wk = 0.0047847 k( 135) = ( 0.2962963 0.5132002 0.5968382), wk = 0.0047847 k( 136) = ( 0.2839506 0.4918169 0.5968382), wk = 0.0047847 k( 137) = ( 0.2716049 0.4704336 0.5968382), wk = 0.0047847 k( 138) = ( 0.2592593 0.4490502 0.5968382), wk = 0.0047847 k( 139) = ( 0.2469136 0.4276669 0.5968382), wk = 0.0047847 k( 140) = ( 0.2345679 0.4062835 0.5968382), wk = 0.0047847 k( 141) = ( 0.2222222 0.3849002 0.5968382), wk = 0.0047847 k( 142) = ( 0.2098765 0.3635168 0.5968382), wk = 0.0047847 k( 143) = ( 0.1975309 0.3421335 0.5968382), wk = 0.0047847 k( 144) = ( 0.1851852 0.3207502 0.5968382), wk = 0.0047847 k( 145) = ( 0.1728395 0.2993668 0.5968382), wk = 0.0047847 k( 146) = ( 0.1604938 0.2779835 0.5968382), wk = 0.0047847 k( 147) = ( 0.1481482 0.2566001 0.5968382), wk = 0.0047847 k( 148) = ( 0.1358025 0.2352168 0.5968382), wk = 0.0047847 k( 149) = ( 0.1234568 0.2138334 0.5968382), wk = 0.0047847 k( 150) = ( 0.1111111 0.1924501 0.5968382), wk = 0.0047847 k( 151) = ( 0.0987654 0.1710667 0.5968382), wk = 0.0047847 k( 152) = ( 0.0864198 0.1496834 0.5968382), wk = 0.0047847 k( 153) = ( 0.0740741 0.1283001 0.5968382), wk = 0.0047847 k( 154) = ( 0.0617284 0.1069167 0.5968382), wk = 0.0047847 k( 155) = ( 0.0493827 0.0855334 0.5968382), wk = 0.0047847 k( 156) = ( 0.0370370 0.0641500 0.5968382), wk = 0.0047847 k( 157) = ( 0.0246914 0.0427667 0.5968382), wk = 0.0047847 k( 158) = ( 0.0123457 0.0213833 0.5968382), wk = 0.0047847 k( 159) = ( 0.0000000 0.0000000 0.5968382), wk = 0.0047847 k( 160) = ( 0.5000000 0.2886751 0.5968382), wk = 0.0047847 k( 161) = ( 0.5000000 0.2886751 0.5719699), wk = 0.0047847 k( 162) = ( 0.5000000 0.2886751 0.5471016), wk = 0.0047847 k( 163) = ( 0.5000000 0.2886751 0.5222334), wk = 0.0047847 k( 164) = ( 0.5000000 0.2886751 0.4973651), wk = 0.0047847 k( 165) = ( 0.5000000 0.2886751 0.4724969), wk = 0.0047847 k( 166) = ( 0.5000000 0.2886751 0.4476286), wk = 0.0047847 k( 167) = ( 0.5000000 0.2886751 0.4227604), wk = 0.0047847 k( 168) = ( 0.5000000 0.2886751 0.3978921), wk = 0.0047847 k( 169) = ( 0.5000000 0.2886751 0.3730238), wk = 0.0047847 k( 170) = ( 0.5000000 0.2886751 0.3481556), wk = 0.0047847 k( 171) = ( 0.5000000 0.2886751 0.3232873), wk = 0.0047847 k( 172) = ( 0.5000000 0.2886751 0.2984191), wk = 0.0047847 k( 173) = ( 0.5000000 0.2886751 0.2735508), wk = 0.0047847 k( 174) = ( 0.5000000 0.2886751 0.2486826), wk = 0.0047847 k( 175) = ( 0.5000000 0.2886751 0.2238143), wk = 0.0047847 k( 176) = ( 0.5000000 0.2886751 0.1989461), wk = 0.0047847 k( 177) = ( 0.5000000 0.2886751 0.1740778), wk = 0.0047847 k( 178) = ( 0.5000000 0.2886751 0.1492095), wk = 0.0047847 k( 179) = ( 0.5000000 0.2886751 0.1243413), wk = 0.0047847 k( 180) = ( 0.5000000 0.2886751 0.0994730), wk = 0.0047847 k( 181) = ( 0.5000000 0.2886751 0.0746048), wk = 0.0047847 k( 182) = ( 0.5000000 0.2886751 0.0497365), wk = 0.0047847 k( 183) = ( 0.5000000 0.2886751 0.0248683), wk = 0.0047847 k( 184) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0047847 k( 185) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0047847 k( 186) = ( 0.3333333 0.5773503 0.0248683), wk = 0.0047847 k( 187) = ( 0.3333333 0.5773503 0.0497365), wk = 0.0047847 k( 188) = ( 0.3333333 0.5773503 0.0746048), wk = 0.0047847 k( 189) = ( 0.3333333 0.5773503 0.0994730), wk = 0.0047847 k( 190) = ( 0.3333333 0.5773503 0.1243413), wk = 0.0047847 k( 191) = ( 0.3333333 0.5773503 0.1492095), wk = 0.0047847 k( 192) = ( 0.3333333 0.5773503 0.1740778), wk = 0.0047847 k( 193) = ( 0.3333333 0.5773503 0.1989461), wk = 0.0047847 k( 194) = ( 0.3333333 0.5773503 0.2238143), wk = 0.0047847 k( 195) = ( 0.3333333 0.5773503 0.2486826), wk = 0.0047847 k( 196) = ( 0.3333333 0.5773503 0.2735508), wk = 0.0047847 k( 197) = ( 0.3333333 0.5773503 0.2984191), wk = 0.0047847 k( 198) = ( 0.3333333 0.5773503 0.3232873), wk = 0.0047847 k( 199) = ( 0.3333333 0.5773503 0.3481556), wk = 0.0047847 k( 200) = ( 0.3333333 0.5773503 0.3730238), wk = 0.0047847 k( 201) = ( 0.3333333 0.5773503 0.3978921), wk = 0.0047847 k( 202) = ( 0.3333333 0.5773503 0.4227604), wk = 0.0047847 k( 203) = ( 0.3333333 0.5773503 0.4476286), wk = 0.0047847 k( 204) = ( 0.3333333 0.5773503 0.4724969), wk = 0.0047847 k( 205) = ( 0.3333333 0.5773503 0.4973651), wk = 0.0047847 k( 206) = ( 0.3333333 0.5773503 0.5222334), wk = 0.0047847 k( 207) = ( 0.3333333 0.5773503 0.5471016), wk = 0.0047847 k( 208) = ( 0.3333333 0.5773503 0.5719699), wk = 0.0047847 k( 209) = ( 0.3333333 0.5773503 0.5968382), wk = 0.0047847 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0047847 k( 2) = ( 0.0217391 -0.0000000 0.0000000), wk = 0.0047847 k( 3) = ( 0.0434783 -0.0000000 0.0000000), wk = 0.0047847 k( 4) = ( 0.0652174 -0.0000000 -0.0000000), wk = 0.0047847 k( 5) = ( 0.0869565 -0.0000000 0.0000000), wk = 0.0047847 k( 6) = ( 0.1086957 -0.0000000 0.0000000), wk = 0.0047847 k( 7) = ( 0.1304348 -0.0000000 -0.0000000), wk = 0.0047847 k( 8) = ( 0.1521739 -0.0000000 -0.0000000), wk = 0.0047847 k( 9) = ( 0.1739130 -0.0000000 0.0000000), wk = 0.0047847 k( 10) = ( 0.1956522 0.0000000 0.0000000), wk = 0.0047847 k( 11) = ( 0.2173913 -0.0000000 0.0000000), wk = 0.0047847 k( 12) = ( 0.2391304 -0.0000000 -0.0000000), wk = 0.0047847 k( 13) = ( 0.2608696 0.0000000 0.0000000), wk = 0.0047847 k( 14) = ( 0.2826087 -0.0000000 -0.0000000), wk = 0.0047847 k( 15) = ( 0.3043478 -0.0000000 0.0000000), wk = 0.0047847 k( 16) = ( 0.3260870 -0.0000000 -0.0000000), wk = 0.0047847 k( 17) = ( 0.3478261 0.0000000 -0.0000000), wk = 0.0047847 k( 18) = ( 0.3695652 0.0000000 -0.0000000), wk = 0.0047847 k( 19) = ( 0.3913044 -0.0000000 0.0000000), wk = 0.0047847 k( 20) = ( 0.4130435 -0.0000000 0.0000000), wk = 0.0047847 k( 21) = ( 0.4347826 -0.0000000 -0.0000000), wk = 0.0047847 k( 22) = ( 0.4565217 -0.0000000 0.0000000), wk = 0.0047847 k( 23) = ( 0.4782609 -0.0000000 0.0000000), wk = 0.0047847 k( 24) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0047847 k( 25) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0047847 k( 26) = ( 0.4880952 0.0238095 0.0000000), wk = 0.0047847 k( 27) = ( 0.4761905 0.0476190 -0.0000000), wk = 0.0047847 k( 28) = ( 0.4642857 0.0714286 0.0000000), wk = 0.0047847 k( 29) = ( 0.4523810 0.0952381 0.0000000), wk = 0.0047847 k( 30) = ( 0.4404762 0.1190476 -0.0000000), wk = 0.0047847 k( 31) = ( 0.4285714 0.1428571 -0.0000000), wk = 0.0047847 k( 32) = ( 0.4166667 0.1666667 -0.0000000), wk = 0.0047847 k( 33) = ( 0.4047619 0.1904762 0.0000000), wk = 0.0047847 k( 34) = ( 0.3928571 0.2142857 0.0000000), wk = 0.0047847 k( 35) = ( 0.3809524 0.2380952 0.0000000), wk = 0.0047847 k( 36) = ( 0.3690476 0.2619048 0.0000000), wk = 0.0047847 k( 37) = ( 0.3571429 0.2857143 0.0000000), wk = 0.0047847 k( 38) = ( 0.3452381 0.3095238 0.0000000), wk = 0.0047847 k( 39) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0047847 k( 40) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0047847 k( 41) = ( 0.3209877 0.3209877 0.0000000), wk = 0.0047847 k( 42) = ( 0.3086420 0.3086420 0.0000000), wk = 0.0047847 k( 43) = ( 0.2962963 0.2962963 -0.0000000), wk = 0.0047847 k( 44) = ( 0.2839506 0.2839506 0.0000000), wk = 0.0047847 k( 45) = ( 0.2716049 0.2716049 0.0000000), wk = 0.0047847 k( 46) = ( 0.2592593 0.2592593 0.0000000), wk = 0.0047847 k( 47) = ( 0.2469136 0.2469136 0.0000000), wk = 0.0047847 k( 48) = ( 0.2345679 0.2345679 0.0000000), wk = 0.0047847 k( 49) = ( 0.2222222 0.2222222 -0.0000000), wk = 0.0047847 k( 50) = ( 0.2098765 0.2098765 0.0000000), wk = 0.0047847 k( 51) = ( 0.1975309 0.1975309 0.0000000), wk = 0.0047847 k( 52) = ( 0.1851852 0.1851852 0.0000000), wk = 0.0047847 k( 53) = ( 0.1728395 0.1728395 -0.0000000), wk = 0.0047847 k( 54) = ( 0.1604938 0.1604938 -0.0000000), wk = 0.0047847 k( 55) = ( 0.1481482 0.1481481 -0.0000000), wk = 0.0047847 k( 56) = ( 0.1358025 0.1358025 0.0000000), wk = 0.0047847 k( 57) = ( 0.1234568 0.1234568 0.0000000), wk = 0.0047847 k( 58) = ( 0.1111111 0.1111111 -0.0000000), wk = 0.0047847 k( 59) = ( 0.0987654 0.0987654 0.0000000), wk = 0.0047847 k( 60) = ( 0.0864198 0.0864198 0.0000000), wk = 0.0047847 k( 61) = ( 0.0740741 0.0740741 -0.0000000), wk = 0.0047847 k( 62) = ( 0.0617284 0.0617284 0.0000000), wk = 0.0047847 k( 63) = ( 0.0493827 0.0493827 0.0000000), wk = 0.0047847 k( 64) = ( 0.0370370 0.0370370 0.0000000), wk = 0.0047847 k( 65) = ( 0.0246914 0.0246914 0.0000000), wk = 0.0047847 k( 66) = ( 0.0123457 0.0123457 0.0000000), wk = 0.0047847 k( 67) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0047847 k( 68) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0047847 k( 69) = ( 0.0000000 0.0000000 0.0208333), wk = 0.0047847 k( 70) = ( 0.0000000 0.0000000 0.0416667), wk = 0.0047847 k( 71) = ( 0.0000000 0.0000000 0.0625000), wk = 0.0047847 k( 72) = ( 0.0000000 0.0000000 0.0833333), wk = 0.0047847 k( 73) = ( 0.0000000 0.0000000 0.1041667), wk = 0.0047847 k( 74) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0047847 k( 75) = ( 0.0000000 0.0000000 0.1458333), wk = 0.0047847 k( 76) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0047847 k( 77) = ( 0.0000000 0.0000000 0.1875000), wk = 0.0047847 k( 78) = ( 0.0000000 0.0000000 0.2083333), wk = 0.0047847 k( 79) = ( 0.0000000 0.0000000 0.2291667), wk = 0.0047847 k( 80) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0047847 k( 81) = ( 0.0000000 0.0000000 0.2708333), wk = 0.0047847 k( 82) = ( 0.0000000 0.0000000 0.2916667), wk = 0.0047847 k( 83) = ( 0.0000000 0.0000000 0.3125000), wk = 0.0047847 k( 84) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0047847 k( 85) = ( 0.0000000 0.0000000 0.3541667), wk = 0.0047847 k( 86) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0047847 k( 87) = ( 0.0000000 0.0000000 0.3958333), wk = 0.0047847 k( 88) = ( 0.0000000 0.0000000 0.4166667), wk = 0.0047847 k( 89) = ( 0.0000000 0.0000000 0.4375000), wk = 0.0047847 k( 90) = ( 0.0000000 0.0000000 0.4583333), wk = 0.0047847 k( 91) = ( 0.0000000 0.0000000 0.4791667), wk = 0.0047847 k( 92) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0047847 k( 93) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0047847 k( 94) = ( 0.0217391 -0.0000000 0.5000000), wk = 0.0047847 k( 95) = ( 0.0434783 -0.0000000 0.5000000), wk = 0.0047847 k( 96) = ( 0.0652174 -0.0000000 0.5000000), wk = 0.0047847 k( 97) = ( 0.0869565 -0.0000000 0.5000000), wk = 0.0047847 k( 98) = ( 0.1086957 -0.0000000 0.5000000), wk = 0.0047847 k( 99) = ( 0.1304348 -0.0000000 0.5000000), wk = 0.0047847 k( 100) = ( 0.1521739 -0.0000000 0.5000000), wk = 0.0047847 k( 101) = ( 0.1739130 -0.0000000 0.5000000), wk = 0.0047847 k( 102) = ( 0.1956522 0.0000000 0.5000000), wk = 0.0047847 k( 103) = ( 0.2173913 -0.0000000 0.5000000), wk = 0.0047847 k( 104) = ( 0.2391304 -0.0000000 0.5000000), wk = 0.0047847 k( 105) = ( 0.2608696 0.0000000 0.5000000), wk = 0.0047847 k( 106) = ( 0.2826087 -0.0000000 0.5000000), wk = 0.0047847 k( 107) = ( 0.3043478 -0.0000000 0.5000000), wk = 0.0047847 k( 108) = ( 0.3260870 -0.0000000 0.5000000), wk = 0.0047847 k( 109) = ( 0.3478261 0.0000000 0.5000000), wk = 0.0047847 k( 110) = ( 0.3695652 0.0000000 0.5000000), wk = 0.0047847 k( 111) = ( 0.3913044 -0.0000000 0.5000000), wk = 0.0047847 k( 112) = ( 0.4130435 -0.0000000 0.5000000), wk = 0.0047847 k( 113) = ( 0.4347826 -0.0000000 0.5000000), wk = 0.0047847 k( 114) = ( 0.4565217 -0.0000000 0.5000000), wk = 0.0047847 k( 115) = ( 0.4782609 -0.0000000 0.5000000), wk = 0.0047847 k( 116) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0047847 k( 117) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0047847 k( 118) = ( 0.4880952 0.0238095 0.5000000), wk = 0.0047847 k( 119) = ( 0.4761905 0.0476190 0.5000000), wk = 0.0047847 k( 120) = ( 0.4642857 0.0714286 0.5000000), wk = 0.0047847 k( 121) = ( 0.4523810 0.0952381 0.5000000), wk = 0.0047847 k( 122) = ( 0.4404762 0.1190476 0.5000000), wk = 0.0047847 k( 123) = ( 0.4285714 0.1428571 0.5000000), wk = 0.0047847 k( 124) = ( 0.4166667 0.1666667 0.5000000), wk = 0.0047847 k( 125) = ( 0.4047619 0.1904762 0.5000000), wk = 0.0047847 k( 126) = ( 0.3928571 0.2142857 0.5000000), wk = 0.0047847 k( 127) = ( 0.3809524 0.2380952 0.5000000), wk = 0.0047847 k( 128) = ( 0.3690476 0.2619048 0.5000000), wk = 0.0047847 k( 129) = ( 0.3571429 0.2857143 0.5000000), wk = 0.0047847 k( 130) = ( 0.3452381 0.3095238 0.5000000), wk = 0.0047847 k( 131) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0047847 k( 132) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0047847 k( 133) = ( 0.3209877 0.3209877 0.5000000), wk = 0.0047847 k( 134) = ( 0.3086420 0.3086420 0.5000000), wk = 0.0047847 k( 135) = ( 0.2962963 0.2962963 0.5000000), wk = 0.0047847 k( 136) = ( 0.2839506 0.2839506 0.5000000), wk = 0.0047847 k( 137) = ( 0.2716049 0.2716049 0.5000000), wk = 0.0047847 k( 138) = ( 0.2592593 0.2592593 0.5000000), wk = 0.0047847 k( 139) = ( 0.2469136 0.2469136 0.5000000), wk = 0.0047847 k( 140) = ( 0.2345679 0.2345679 0.5000000), wk = 0.0047847 k( 141) = ( 0.2222222 0.2222222 0.5000000), wk = 0.0047847 k( 142) = ( 0.2098765 0.2098765 0.5000000), wk = 0.0047847 k( 143) = ( 0.1975309 0.1975309 0.5000000), wk = 0.0047847 k( 144) = ( 0.1851852 0.1851852 0.5000000), wk = 0.0047847 k( 145) = ( 0.1728395 0.1728395 0.5000000), wk = 0.0047847 k( 146) = ( 0.1604938 0.1604938 0.5000000), wk = 0.0047847 k( 147) = ( 0.1481482 0.1481481 0.5000000), wk = 0.0047847 k( 148) = ( 0.1358025 0.1358025 0.5000000), wk = 0.0047847 k( 149) = ( 0.1234568 0.1234568 0.5000000), wk = 0.0047847 k( 150) = ( 0.1111111 0.1111111 0.5000000), wk = 0.0047847 k( 151) = ( 0.0987654 0.0987654 0.5000000), wk = 0.0047847 k( 152) = ( 0.0864198 0.0864198 0.5000000), wk = 0.0047847 k( 153) = ( 0.0740741 0.0740741 0.5000000), wk = 0.0047847 k( 154) = ( 0.0617284 0.0617284 0.5000000), wk = 0.0047847 k( 155) = ( 0.0493827 0.0493827 0.5000000), wk = 0.0047847 k( 156) = ( 0.0370370 0.0370370 0.5000000), wk = 0.0047847 k( 157) = ( 0.0246914 0.0246914 0.5000000), wk = 0.0047847 k( 158) = ( 0.0123457 0.0123457 0.5000000), wk = 0.0047847 k( 159) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0047847 k( 160) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0047847 k( 161) = ( 0.5000000 0.0000000 0.4791667), wk = 0.0047847 k( 162) = ( 0.5000000 0.0000000 0.4583333), wk = 0.0047847 k( 163) = ( 0.5000000 0.0000000 0.4375000), wk = 0.0047847 k( 164) = ( 0.5000000 0.0000000 0.4166667), wk = 0.0047847 k( 165) = ( 0.5000000 0.0000000 0.3958333), wk = 0.0047847 k( 166) = ( 0.5000000 0.0000000 0.3750000), wk = 0.0047847 k( 167) = ( 0.5000000 0.0000000 0.3541667), wk = 0.0047847 k( 168) = ( 0.5000000 0.0000000 0.3333333), wk = 0.0047847 k( 169) = ( 0.5000000 0.0000000 0.3125000), wk = 0.0047847 k( 170) = ( 0.5000000 0.0000000 0.2916667), wk = 0.0047847 k( 171) = ( 0.5000000 0.0000000 0.2708333), wk = 0.0047847 k( 172) = ( 0.5000000 0.0000000 0.2500000), wk = 0.0047847 k( 173) = ( 0.5000000 0.0000000 0.2291667), wk = 0.0047847 k( 174) = ( 0.5000000 0.0000000 0.2083333), wk = 0.0047847 k( 175) = ( 0.5000000 0.0000000 0.1875000), wk = 0.0047847 k( 176) = ( 0.5000000 0.0000000 0.1666667), wk = 0.0047847 k( 177) = ( 0.5000000 0.0000000 0.1458333), wk = 0.0047847 k( 178) = ( 0.5000000 0.0000000 0.1250000), wk = 0.0047847 k( 179) = ( 0.5000000 0.0000000 0.1041667), wk = 0.0047847 k( 180) = ( 0.5000000 0.0000000 0.0833333), wk = 0.0047847 k( 181) = ( 0.5000000 0.0000000 0.0625000), wk = 0.0047847 k( 182) = ( 0.5000000 0.0000000 0.0416667), wk = 0.0047847 k( 183) = ( 0.5000000 0.0000000 0.0208333), wk = 0.0047847 k( 184) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0047847 k( 185) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0047847 k( 186) = ( 0.3333333 0.3333333 0.0208333), wk = 0.0047847 k( 187) = ( 0.3333333 0.3333333 0.0416667), wk = 0.0047847 k( 188) = ( 0.3333333 0.3333333 0.0625000), wk = 0.0047847 k( 189) = ( 0.3333333 0.3333333 0.0833333), wk = 0.0047847 k( 190) = ( 0.3333333 0.3333333 0.1041667), wk = 0.0047847 k( 191) = ( 0.3333333 0.3333333 0.1250000), wk = 0.0047847 k( 192) = ( 0.3333333 0.3333333 0.1458333), wk = 0.0047847 k( 193) = ( 0.3333333 0.3333333 0.1666667), wk = 0.0047847 k( 194) = ( 0.3333333 0.3333333 0.1875000), wk = 0.0047847 k( 195) = ( 0.3333333 0.3333333 0.2083333), wk = 0.0047847 k( 196) = ( 0.3333333 0.3333333 0.2291667), wk = 0.0047847 k( 197) = ( 0.3333333 0.3333333 0.2500000), wk = 0.0047847 k( 198) = ( 0.3333333 0.3333333 0.2708333), wk = 0.0047847 k( 199) = ( 0.3333333 0.3333333 0.2916667), wk = 0.0047847 k( 200) = ( 0.3333333 0.3333333 0.3125000), wk = 0.0047847 k( 201) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0047847 k( 202) = ( 0.3333333 0.3333333 0.3541667), wk = 0.0047847 k( 203) = ( 0.3333333 0.3333333 0.3750000), wk = 0.0047847 k( 204) = ( 0.3333333 0.3333333 0.3958333), wk = 0.0047847 k( 205) = ( 0.3333333 0.3333333 0.4166667), wk = 0.0047847 k( 206) = ( 0.3333333 0.3333333 0.4375000), wk = 0.0047847 k( 207) = ( 0.3333333 0.3333333 0.4583333), wk = 0.0047847 k( 208) = ( 0.3333333 0.3333333 0.4791667), wk = 0.0047847 k( 209) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0047847 Dense grid: 237551 G-vectors FFT dimensions: ( 90, 90, 72) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 1.24 Mb ( 848, 96) NL pseudopotentials 2.56 Mb ( 424, 396) Each V/rho on FFT grid 0.12 Mb ( 8100) Each G-vector array 0.03 Mb ( 3303) G-vector shells 0.01 Mb ( 1609) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 4.97 Mb ( 848, 384) Each subspace H/S matrix 0.06 Mb ( 64, 64) Each matrix 1.16 Mb ( 396, 2, 96) The potential is recalculated from file : ./CsNiI3.save/charge-density.dat Starting wfc are 104 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 7.1 secs Computing kpt #: 2 total cpu time spent up to now is 10.9 secs Computing kpt #: 3 total cpu time spent up to now is 14.7 secs Computing kpt #: 4 total cpu time spent up to now is 18.5 secs Computing kpt #: 5 total cpu time spent up to now is 22.4 secs Computing kpt #: 6 total cpu time spent up to now is 26.3 secs Computing kpt #: 7 total cpu time spent up to now is 30.2 secs Computing kpt #: 8 total cpu time spent up to now is 34.3 secs Computing kpt #: 9 total cpu time spent up to now is 38.4 secs Computing kpt #: 10 total cpu time spent up to now is 43.0 secs Computing kpt #: 11 total cpu time spent up to now is 47.2 secs Computing kpt #: 12 total cpu time spent up to now is 51.7 secs Computing kpt #: 13 total cpu time spent up to now is 57.0 secs Computing kpt #: 14 total cpu time spent up to now is 61.5 secs Computing kpt #: 15 total cpu time spent up to now is 65.5 secs Computing kpt #: 16 total cpu time spent up to now is 70.1 secs Computing kpt #: 17 total cpu time spent up to now is 74.6 secs Computing kpt #: 18 total cpu time spent up to now is 79.1 secs Computing kpt #: 19 total cpu time spent up to now is 83.9 secs Computing kpt #: 20 total cpu time spent up to now is 88.0 secs Computing kpt #: 21 total cpu time spent up to now is 92.1 secs Computing kpt #: 22 total cpu time spent up to now is 96.1 secs Computing kpt #: 23 total cpu time spent up to now is 100.0 secs Computing kpt #: 24 total cpu time spent up to now is 104.0 secs Computing kpt #: 25 total cpu time spent up to now is 108.0 secs Computing kpt #: 26 total cpu time spent up to now is 112.0 secs Computing kpt #: 27 total cpu time spent up to now is 116.2 secs Computing kpt #: 28 total cpu time spent up to now is 120.7 secs Computing kpt #: 29 total cpu time spent up to now is 125.4 secs Computing kpt #: 30 total cpu time spent up to now is 130.3 secs Computing kpt #: 31 total cpu time spent up to now is 135.1 secs Computing kpt #: 32 total cpu time spent up to now is 139.8 secs Computing kpt #: 33 total cpu time spent up to now is 144.4 secs Computing kpt #: 34 total cpu time spent up to now is 149.4 secs Computing kpt #: 35 total cpu time spent up to now is 154.0 secs Computing kpt #: 36 total cpu time spent up to now is 158.6 secs Computing kpt #: 37 total cpu time spent up to now is 163.4 secs Computing kpt #: 38 total cpu time spent up to now is 168.4 secs Computing kpt #: 39 total cpu time spent up to now is 174.1 secs Computing kpt #: 40 total cpu time spent up to now is 179.3 secs Computing kpt #: 41 total cpu time spent up to now is 184.2 secs Computing kpt #: 42 total cpu time spent up to now is 189.0 secs Computing kpt #: 43 total cpu time spent up to now is 193.7 secs Computing kpt #: 44 total cpu time spent up to now is 197.8 secs Computing kpt #: 45 total cpu time spent up to now is 201.8 secs Computing kpt #: 46 total cpu time spent up to now is 205.7 secs Computing kpt #: 47 total cpu time spent up to now is 209.6 secs Computing kpt #: 48 total cpu time spent up to now is 213.6 secs Computing kpt #: 49 total cpu time spent up to now is 217.7 secs Computing kpt #: 50 total cpu time spent up to now is 221.7 secs Computing kpt #: 51 total cpu time spent up to now is 226.2 secs Computing kpt #: 52 total cpu time spent up to now is 230.3 secs Computing kpt #: 53 total cpu time spent up to now is 234.8 secs Computing kpt #: 54 total cpu time spent up to now is 239.4 secs Computing kpt #: 55 total cpu time spent up to now is 243.9 secs Computing kpt #: 56 total cpu time spent up to now is 248.5 secs Computing kpt #: 57 total cpu time spent up to now is 253.0 secs Computing kpt #: 58 total cpu time spent up to now is 257.6 secs Computing kpt #: 59 total cpu time spent up to now is 262.1 secs Computing kpt #: 60 total cpu time spent up to now is 266.1 secs Computing kpt #: 61 total cpu time spent up to now is 270.0 secs Computing kpt #: 62 total cpu time spent up to now is 273.9 secs Computing kpt #: 63 total cpu time spent up to now is 277.8 secs Computing kpt #: 64 total cpu time spent up to now is 281.7 secs Computing kpt #: 65 total cpu time spent up to now is 285.6 secs Computing kpt #: 66 total cpu time spent up to now is 289.5 secs Computing kpt #: 67 total cpu time spent up to now is 293.3 secs Computing kpt #: 68 total cpu time spent up to now is 297.1 secs Computing kpt #: 69 total cpu time spent up to now is 300.9 secs Computing kpt #: 70 total cpu time spent up to now is 305.0 secs Computing kpt #: 71 total cpu time spent up to now is 309.4 secs Computing kpt #: 72 total cpu time spent up to now is 313.5 secs Computing kpt #: 73 total cpu time spent up to now is 317.6 secs Computing kpt #: 74 total cpu time spent up to now is 322.6 secs Computing kpt #: 75 total cpu time spent up to now is 327.4 secs Computing kpt #: 76 total cpu time spent up to now is 332.4 secs Computing kpt #: 77 total cpu time spent up to now is 337.0 secs Computing kpt #: 78 total cpu time spent up to now is 342.4 secs Computing kpt #: 79 total cpu time spent up to now is 349.7 secs Computing kpt #: 80 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 357.3 secs Computing kpt #: 81 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 364.8 secs Computing kpt #: 82 total cpu time spent up to now is 372.2 secs Computing kpt #: 83 total cpu time spent up to now is 377.2 secs Computing kpt #: 84 total cpu time spent up to now is 383.0 secs Computing kpt #: 85 total cpu time spent up to now is 458.3 secs Computing kpt #: 86 total cpu time spent up to now is 463.6 secs Computing kpt #: 87 total cpu time spent up to now is 468.0 secs Computing kpt #: 88 total cpu time spent up to now is 472.4 secs Computing kpt #: 89 total cpu time spent up to now is 476.3 secs Computing kpt #: 90 total cpu time spent up to now is 480.2 secs Computing kpt #: 91 total cpu time spent up to now is 484.0 secs Computing kpt #: 92 total cpu time spent up to now is 487.9 secs Computing kpt #: 93 total cpu time spent up to now is 491.9 secs Computing kpt #: 94 total cpu time spent up to now is 495.6 secs Computing kpt #: 95 total cpu time spent up to now is 499.5 secs Computing kpt #: 96 total cpu time spent up to now is 503.4 secs Computing kpt #: 97 total cpu time spent up to now is 507.1 secs Computing kpt #: 98 total cpu time spent up to now is 511.0 secs Computing kpt #: 99 total cpu time spent up to now is 514.7 secs Computing kpt #: 100 total cpu time spent up to now is 518.6 secs Computing kpt #: 101 total cpu time spent up to now is 522.4 secs Computing kpt #: 102 total cpu time spent up to now is 526.7 secs Computing kpt #: 103 total cpu time spent up to now is 530.5 secs Computing kpt #: 104 total cpu time spent up to now is 534.4 secs Computing kpt #: 105 total cpu time spent up to now is 538.2 secs Computing kpt #: 106 total cpu time spent up to now is 542.1 secs Computing kpt #: 107 total cpu time spent up to now is 546.0 secs Computing kpt #: 108 total cpu time spent up to now is 550.0 secs Computing kpt #: 109 total cpu time spent up to now is 554.0 secs Computing kpt #: 110 total cpu time spent up to now is 558.0 secs Computing kpt #: 111 total cpu time spent up to now is 562.0 secs Computing kpt #: 112 total cpu time spent up to now is 566.4 secs Computing kpt #: 113 total cpu time spent up to now is 570.8 secs Computing kpt #: 114 total cpu time spent up to now is 575.1 secs Computing kpt #: 115 total cpu time spent up to now is 579.6 secs Computing kpt #: 116 total cpu time spent up to now is 584.0 secs Computing kpt #: 117 total cpu time spent up to now is 588.4 secs Computing kpt #: 118 total cpu time spent up to now is 592.5 secs Computing kpt #: 119 total cpu time spent up to now is 597.0 secs Computing kpt #: 120 total cpu time spent up to now is 601.1 secs Computing kpt #: 121 total cpu time spent up to now is 605.2 secs Computing kpt #: 122 total cpu time spent up to now is 609.5 secs Computing kpt #: 123 total cpu time spent up to now is 613.6 secs Computing kpt #: 124 total cpu time spent up to now is 617.7 secs Computing kpt #: 125 total cpu time spent up to now is 621.7 secs Computing kpt #: 126 total cpu time spent up to now is 660.2 secs Computing kpt #: 127 total cpu time spent up to now is 664.3 secs Computing kpt #: 128 total cpu time spent up to now is 668.5 secs Computing kpt #: 129 total cpu time spent up to now is 672.7 secs Computing kpt #: 130 total cpu time spent up to now is 677.3 secs Computing kpt #: 131 total cpu time spent up to now is 682.0 secs Computing kpt #: 132 total cpu time spent up to now is 686.6 secs Computing kpt #: 133 total cpu time spent up to now is 691.3 secs Computing kpt #: 134 total cpu time spent up to now is 695.4 secs Computing kpt #: 135 total cpu time spent up to now is 699.6 secs Computing kpt #: 136 total cpu time spent up to now is 703.6 secs Computing kpt #: 137 total cpu time spent up to now is 707.6 secs Computing kpt #: 138 total cpu time spent up to now is 711.6 secs Computing kpt #: 139 total cpu time spent up to now is 715.6 secs Computing kpt #: 140 total cpu time spent up to now is 719.5 secs Computing kpt #: 141 total cpu time spent up to now is 723.3 secs Computing kpt #: 142 total cpu time spent up to now is 727.1 secs Computing kpt #: 143 total cpu time spent up to now is 731.0 secs Computing kpt #: 144 total cpu time spent up to now is 734.9 secs Computing kpt #: 145 total cpu time spent up to now is 738.8 secs Computing kpt #: 146 total cpu time spent up to now is 742.6 secs Computing kpt #: 147 total cpu time spent up to now is 746.5 secs Computing kpt #: 148 total cpu time spent up to now is 750.3 secs Computing kpt #: 149 total cpu time spent up to now is 754.2 secs Computing kpt #: 150 total cpu time spent up to now is 758.0 secs Computing kpt #: 151 total cpu time spent up to now is 761.9 secs Computing kpt #: 152 total cpu time spent up to now is 765.7 secs Computing kpt #: 153 total cpu time spent up to now is 769.6 secs Computing kpt #: 154 total cpu time spent up to now is 773.4 secs Computing kpt #: 155 total cpu time spent up to now is 777.3 secs Computing kpt #: 156 total cpu time spent up to now is 781.1 secs Computing kpt #: 157 total cpu time spent up to now is 784.9 secs Computing kpt #: 158 total cpu time spent up to now is 788.7 secs Computing kpt #: 159 total cpu time spent up to now is 792.7 secs Computing kpt #: 160 total cpu time spent up to now is 797.1 secs Computing kpt #: 161 total cpu time spent up to now is 801.5 secs Computing kpt #: 162 total cpu time spent up to now is 806.0 secs Computing kpt #: 163 total cpu time spent up to now is 810.6 secs Computing kpt #: 164 total cpu time spent up to now is 815.2 secs Computing kpt #: 165 total cpu time spent up to now is 819.7 secs Computing kpt #: 166 total cpu time spent up to now is 824.1 secs Computing kpt #: 167 total cpu time spent up to now is 829.1 secs Computing kpt #: 168 total cpu time spent up to now is 833.1 secs Computing kpt #: 169 total cpu time spent up to now is 837.1 secs Computing kpt #: 170 total cpu time spent up to now is 841.5 secs Computing kpt #: 171 total cpu time spent up to now is 846.4 secs Computing kpt #: 172 total cpu time spent up to now is 850.9 secs Computing kpt #: 173 total cpu time spent up to now is 854.9 secs Computing kpt #: 174 total cpu time spent up to now is 858.9 secs Computing kpt #: 175 total cpu time spent up to now is 862.8 secs Computing kpt #: 176 total cpu time spent up to now is 866.7 secs Computing kpt #: 177 total cpu time spent up to now is 870.5 secs Computing kpt #: 178 total cpu time spent up to now is 874.3 secs Computing kpt #: 179 total cpu time spent up to now is 878.1 secs Computing kpt #: 180 total cpu time spent up to now is 881.8 secs Computing kpt #: 181 total cpu time spent up to now is 885.6 secs Computing kpt #: 182 total cpu time spent up to now is 889.5 secs Computing kpt #: 183 total cpu time spent up to now is 893.4 secs Computing kpt #: 184 total cpu time spent up to now is 897.2 secs Computing kpt #: 185 total cpu time spent up to now is 902.2 secs Computing kpt #: 186 total cpu time spent up to now is 907.5 secs Computing kpt #: 187 total cpu time spent up to now is 912.5 secs Computing kpt #: 188 total cpu time spent up to now is 917.3 secs Computing kpt #: 189 total cpu time spent up to now is 923.9 secs Computing kpt #: 190 total cpu time spent up to now is 931.4 secs Computing kpt #: 191 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 939.1 secs Computing kpt #: 192 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 946.9 secs Computing kpt #: 193 total cpu time spent up to now is 952.4 secs Computing kpt #: 194 total cpu time spent up to now is 957.9 secs Computing kpt #: 195 total cpu time spent up to now is 964.1 secs Computing kpt #: 196 total cpu time spent up to now is 970.4 secs Computing kpt #: 197 total cpu time spent up to now is 976.9 secs Computing kpt #: 198 total cpu time spent up to now is 983.3 secs Computing kpt #: 199 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 991.0 secs Computing kpt #: 200 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 998.8 secs Computing kpt #: 201 total cpu time spent up to now is 1004.2 secs Computing kpt #: 202 total cpu time spent up to now is 1009.1 secs Computing kpt #: 203 total cpu time spent up to now is 1014.5 secs Computing kpt #: 204 total cpu time spent up to now is 1020.0 secs Computing kpt #: 205 total cpu time spent up to now is 1024.8 secs Computing kpt #: 206 total cpu time spent up to now is 1029.4 secs Computing kpt #: 207 total cpu time spent up to now is 1035.0 secs Computing kpt #: 208 total cpu time spent up to now is 1039.5 secs Computing kpt #: 209 total cpu time spent up to now is 1044.2 secs ethr = 1.25E-08, avg # of iterations = 45.2 total cpu time spent up to now is 1044.2 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 29687 PWs) bands (ev): -14.9654 -14.9654 -14.9563 -14.9563 -7.9848 -7.9848 -7.2806 -7.2806 -7.2209 -7.2209 -7.2192 -7.2192 -6.9377 -6.9377 -6.9366 -6.9366 -3.8044 -3.8044 -3.7409 -3.7409 -2.4377 -2.4377 -2.4304 -2.4304 -2.3085 -2.3085 -2.3074 -2.3074 -0.1571 -0.1571 0.4940 0.4940 0.8256 0.8256 1.5282 1.5282 1.5614 1.5614 1.9476 1.9476 1.9783 1.9783 2.3397 2.3397 2.4606 2.4606 2.5168 2.5168 2.5779 2.5779 2.6629 2.6629 3.0140 3.0140 3.2411 3.2411 3.5177 3.5177 3.6163 3.6163 4.0104 4.0104 4.0175 4.0175 4.3016 4.3016 4.3081 4.3081 4.3118 4.3118 4.3895 4.3895 4.4041 4.4041 4.4337 4.4337 5.0062 5.0062 5.1373 5.1373 5.6461 5.6461 5.8588 5.8588 7.8621 7.8621 8.1415 8.1415 8.9502 8.9502 9.1291 9.1291 9.1370 9.1370 9.1661 9.1661 k = 0.0217 0.0126-0.0000 ( 29663 PWs) bands (ev): -14.9654 -14.9654 -14.9563 -14.9563 -7.9845 -7.9845 -7.2803 -7.2803 -7.2213 -7.2213 -7.2195 -7.2195 -6.9379 -6.9379 -6.9367 -6.9367 -3.8041 -3.8041 -3.7409 -3.7409 -2.4374 -2.4374 -2.4299 -2.4299 -2.3083 -2.3083 -2.3074 -2.3074 -0.1552 -0.1552 0.4936 0.4936 0.8271 0.8271 1.5279 1.5279 1.5612 1.5612 1.9472 1.9472 1.9785 1.9785 2.3390 2.3390 2.4602 2.4602 2.5172 2.5172 2.5780 2.5780 2.6621 2.6621 3.0133 3.0133 3.2391 3.2391 3.5149 3.5149 3.6167 3.6167 4.0104 4.0104 4.0175 4.0175 4.3010 4.3010 4.3080 4.3080 4.3099 4.3099 4.3889 4.3889 4.3991 4.3991 4.4365 4.4365 5.0066 5.0066 5.1374 5.1374 5.6444 5.6444 5.8563 5.8563 7.8626 7.8626 8.1474 8.1474 8.9546 8.9546 9.1307 9.1307 9.1450 9.1450 9.1709 9.1709 k = 0.0435 0.0251-0.0000 ( 29675 PWs) bands (ev): -14.9653 -14.9653 -14.9563 -14.9563 -7.9837 -7.9837 -7.2794 -7.2794 -7.2227 -7.2227 -7.2202 -7.2202 -6.9387 -6.9387 -6.9367 -6.9367 -3.8034 -3.8034 -3.7407 -3.7407 -2.4365 -2.4365 -2.4282 -2.4282 -2.3078 -2.3078 -2.3073 -2.3073 -0.1497 -0.1497 0.4924 0.4924 0.8314 0.8314 1.5269 1.5269 1.5607 1.5607 1.9464 1.9464 1.9793 1.9793 2.3369 2.3369 2.4591 2.4591 2.5183 2.5183 2.5784 2.5784 2.6597 2.6597 3.0111 3.0111 3.2329 3.2329 3.5064 3.5064 3.6178 3.6178 4.0104 4.0104 4.0175 4.0175 4.2984 4.2984 4.3041 4.3041 4.3082 4.3082 4.3826 4.3826 4.3920 4.3920 4.4418 4.4418 5.0075 5.0075 5.1378 5.1378 5.6391 5.6391 5.8491 5.8491 7.8641 7.8641 8.1653 8.1653 8.9677 8.9677 9.1379 9.1379 9.1655 9.1655 9.1859 9.1859 k = 0.0652 0.0377-0.0000 ( 29673 PWs) bands (ev): -14.9653 -14.9653 -14.9563 -14.9563 -7.9824 -7.9824 -7.2781 -7.2781 -7.2254 -7.2254 -7.2209 -7.2209 -6.9403 -6.9403 -6.9365 -6.9365 -3.8022 -3.8022 -3.7403 -3.7403 -2.4351 -2.4351 -2.4254 -2.4254 -2.3077 -2.3077 -2.3064 -2.3064 -0.1405 -0.1405 0.4905 0.4905 0.8386 0.8386 1.5253 1.5253 1.5598 1.5598 1.9452 1.9452 1.9804 1.9804 2.3332 2.3332 2.4575 2.4575 2.5201 2.5201 2.5790 2.5790 2.6556 2.6556 3.0074 3.0074 3.2226 3.2226 3.4927 3.4927 3.6195 3.6195 4.0103 4.0103 4.0176 4.0176 4.2903 4.2903 4.2965 4.2965 4.3089 4.3089 4.3668 4.3668 4.3907 4.3907 4.4474 4.4474 5.0091 5.0091 5.1384 5.1384 5.6300 5.6300 5.8381 5.8381 7.8667 7.8667 8.1945 8.1945 8.9890 8.9890 9.1510 9.1510 9.1970 9.1970 9.2121 9.2121 k = 0.0870 0.0502-0.0000 ( 29665 PWs) bands (ev): -14.9652 -14.9652 -14.9564 -14.9564 -7.9806 -7.9806 -7.2763 -7.2763 -7.2291 -7.2291 -7.2217 -7.2217 -6.9427 -6.9427 -6.9362 -6.9362 -3.8005 -3.8005 -3.7399 -3.7399 -2.4332 -2.4332 -2.4215 -2.4215 -2.3079 -2.3079 -2.3049 -2.3049 -0.1278 -0.1278 0.4878 0.4878 0.8484 0.8484 1.5230 1.5230 1.5586 1.5586 1.9440 1.9440 1.9816 1.9816 2.3280 2.3280 2.4558 2.4558 2.5225 2.5225 2.5799 2.5799 2.6498 2.6498 3.0023 3.0023 3.2082 3.2082 3.4744 3.4744 3.6218 3.6218 4.0103 4.0103 4.0176 4.0176 4.2742 4.2742 4.2872 4.2872 4.3099 4.3099 4.3502 4.3502 4.3900 4.3900 4.4529 4.4529 5.0113 5.0113 5.1392 5.1392 5.6163 5.6164 5.8244 5.8244 7.8701 7.8701 8.2344 8.2344 9.0175 9.0175 9.1699 9.1699 9.2386 9.2386 9.2499 9.2499 k = 0.1087 0.0628-0.0000 ( 29669 PWs) bands (ev): -14.9651 -14.9651 -14.9564 -14.9564 -7.9783 -7.9783 -7.2742 -7.2742 -7.2336 -7.2336 -7.2227 -7.2227 -6.9458 -6.9458 -6.9357 -6.9357 -3.7984 -3.7984 -3.7394 -3.7394 -2.4308 -2.4308 -2.4166 -2.4166 -2.3081 -2.3081 -2.3031 -2.3031 -0.1116 -0.1116 0.4846 0.4846 0.8608 0.8608 1.5200 1.5200 1.5572 1.5572 1.9429 1.9429 1.9829 1.9829 2.3210 2.3210 2.4543 2.4543 2.5255 2.5255 2.5810 2.5810 2.6422 2.6422 2.9958 2.9958 3.1895 3.1895 3.4520 3.4520 3.6245 3.6245 4.0102 4.0102 4.0176 4.0176 4.2505 4.2505 4.2734 4.2734 4.3111 4.3111 4.3372 4.3372 4.3891 4.3891 4.4584 4.4584 5.0139 5.0139 5.1404 5.1404 5.5978 5.5978 5.8097 5.8097 7.8744 7.8744 8.2842 8.2842 9.0518 9.0518 9.1955 9.1955 9.2894 9.2894 9.2988 9.2988 k = 0.1304 0.0753-0.0000 ( 29687 PWs) bands (ev): -14.9650 -14.9650 -14.9565 -14.9565 -7.9755 -7.9755 -7.2723 -7.2723 -7.2383 -7.2383 -7.2238 -7.2238 -6.9496 -6.9496 -6.9351 -6.9351 -3.7959 -3.7959 -3.7387 -3.7387 -2.4279 -2.4279 -2.4106 -2.4106 -2.3084 -2.3084 -2.3009 -2.3009 -0.0922 -0.0922 0.4808 0.4808 0.8756 0.8756 1.5164 1.5164 1.5555 1.5555 1.9423 1.9423 1.9840 1.9840 2.3122 2.3122 2.4533 2.4533 2.5287 2.5287 2.5824 2.5824 2.6327 2.6327 2.9881 2.9881 3.1667 3.1667 3.4263 3.4263 3.6277 3.6277 4.0101 4.0101 4.0176 4.0176 4.2194 4.2194 4.2555 4.2555 4.3121 4.3121 4.3290 4.3290 4.3880 4.3880 4.4639 4.4639 5.0170 5.0170 5.1418 5.1418 5.5739 5.5739 5.7953 5.7953 7.8794 7.8794 8.3426 8.3426 9.0899 9.0899 9.2293 9.2293 9.3493 9.3493 9.3571 9.3571 k = 0.1522 0.0879-0.0000 ( 29691 PWs) bands (ev): -14.9648 -14.9648 -14.9566 -14.9566 -7.9724 -7.9724 -7.2713 -7.2713 -7.2423 -7.2423 -7.2251 -7.2251 -6.9541 -6.9541 -6.9345 -6.9345 -3.7931 -3.7931 -3.7380 -3.7380 -2.4247 -2.4247 -2.4038 -2.4038 -2.3087 -2.3087 -2.2984 -2.2984 -0.0698 -0.0698 0.4765 0.4765 0.8926 0.8926 1.5122 1.5122 1.5536 1.5536 1.9424 1.9424 1.9850 1.9850 2.3016 2.3016 2.4533 2.4533 2.5323 2.5323 2.5840 2.5840 2.6212 2.6212 2.9792 2.9792 3.1399 3.1399 3.3980 3.3980 3.6311 3.6311 4.0100 4.0100 4.0175 4.0175 4.1830 4.1830 4.2344 4.2344 4.3123 4.3123 4.3246 4.3246 4.3866 4.3866 4.4695 4.4695 5.0204 5.0204 5.1436 5.1436 5.5448 5.5448 5.7822 5.7822 7.8849 7.8849 8.4085 8.4085 9.1297 9.1297 9.2728 9.2728 9.4177 9.4177 9.4233 9.4233 k = 0.1739 0.1004-0.0000 ( 29695 PWs) bands (ev): -14.9647 -14.9647 -14.9567 -14.9567 -7.9688 -7.9688 -7.2727 -7.2727 -7.2441 -7.2441 -7.2264 -7.2264 -6.9593 -6.9593 -6.9337 -6.9337 -3.7899 -3.7899 -3.7373 -3.7373 -2.4210 -2.4210 -2.3962 -2.3962 -2.3092 -2.3092 -2.2956 -2.2956 -0.0446 -0.0446 0.4718 0.4718 0.9115 0.9115 1.5073 1.5073 1.5517 1.5517 1.9432 1.9432 1.9860 1.9860 2.2894 2.2894 2.4544 2.4544 2.5359 2.5359 2.5857 2.5857 2.6078 2.6078 2.9690 2.9690 3.1095 3.1095 3.3677 3.3677 3.6348 3.6348 4.0098 4.0098 4.0171 4.0171 4.1434 4.1434 4.2110 4.2110 4.3112 4.3112 4.3231 4.3231 4.3849 4.3849 4.4751 4.4751 5.0240 5.0240 5.1456 5.1456 5.5112 5.5112 5.7710 5.7710 7.8908 7.8908 8.4806 8.4806 9.1697 9.1697 9.3264 9.3264 9.4906 9.4906 9.4992 9.4992 k = 0.1957 0.1130-0.0000 ( 29695 PWs) bands (ev): -14.9645 -14.9645 -14.9569 -14.9569 -7.9649 -7.9649 -7.2772 -7.2772 -7.2428 -7.2428 -7.2279 -7.2279 -6.9651 -6.9651 -6.9330 -6.9330 -3.7865 -3.7865 -3.7365 -3.7365 -2.4171 -2.4171 -2.3879 -2.3879 -2.3098 -2.3098 -2.2927 -2.2927 -0.0170 -0.0170 0.4668 0.4668 0.9321 0.9321 1.5019 1.5019 1.5498 1.5498 1.9447 1.9447 1.9868 1.9868 2.2757 2.2757 2.4567 2.4567 2.5393 2.5393 2.5877 2.5877 2.5923 2.5923 2.9576 2.9576 3.0760 3.0760 3.3360 3.3360 3.6386 3.6386 4.0096 4.0096 4.0165 4.0165 4.1026 4.1026 4.1860 4.1860 4.3091 4.3091 4.3234 4.3234 4.3830 4.3830 4.4805 4.4805 5.0277 5.0277 5.1480 5.1480 5.4743 5.4743 5.7617 5.7617 7.8970 7.8970 8.5574 8.5574 9.2101 9.2101 9.3885 9.3885 9.5637 9.5637 9.5854 9.5854 k = 0.2174 0.1255-0.0000 ( 29677 PWs) bands (ev): -14.9643 -14.9643 -14.9570 -14.9570 -7.9607 -7.9607 -7.2842 -7.2842 -7.2390 -7.2390 -7.2294 -7.2294 -6.9715 -6.9715 -6.9322 -6.9322 -3.7829 -3.7829 -3.7357 -3.7357 -2.4128 -2.4128 -2.3791 -2.3791 -2.3105 -2.3105 -2.2897 -2.2897 0.0128 0.0128 0.4617 0.4617 0.9540 0.9540 1.4960 1.4960 1.5482 1.5482 1.9471 1.9471 1.9877 1.9877 2.2608 2.2608 2.4602 2.4602 2.5419 2.5419 2.5754 2.5754 2.5899 2.5899 2.9445 2.9445 3.0404 3.0404 3.3033 3.3033 3.6425 3.6425 4.0092 4.0092 4.0152 4.0152 4.0624 4.0624 4.1599 4.1599 4.3066 4.3066 4.3247 4.3247 4.3810 4.3810 4.4857 4.4857 5.0314 5.0314 5.1507 5.1507 5.4353 5.4353 5.7541 5.7541 7.9032 7.9032 8.6377 8.6377 9.2514 9.2514 9.4561 9.4561 9.5791 9.5791 9.6475 9.6475 k = 0.2391 0.1381-0.0000 ( 29673 PWs) bands (ev): -14.9641 -14.9641 -14.9571 -14.9571 -7.9563 -7.9563 -7.2924 -7.2924 -7.2337 -7.2337 -7.2309 -7.2309 -6.9784 -6.9784 -6.9314 -6.9314 -3.7791 -3.7791 -3.7350 -3.7350 -2.4083 -2.4083 -2.3700 -2.3700 -2.3114 -2.3114 -2.2867 -2.2867 0.0443 0.0443 0.4563 0.4563 0.9768 0.9768 1.4898 1.4898 1.5471 1.5471 1.9500 1.9500 1.9888 1.9888 2.2451 2.2451 2.4646 2.4646 2.5404 2.5404 2.5601 2.5601 2.5923 2.5923 2.9290 2.9290 3.0043 3.0043 3.2702 3.2702 3.6464 3.6464 4.0073 4.0073 4.0117 4.0117 4.0263 4.0263 4.1335 4.1335 4.3039 4.3039 4.3263 4.3263 4.3789 4.3789 4.4906 4.4906 5.0349 5.0349 5.1536 5.1536 5.3953 5.3953 5.7479 5.7479 7.9092 7.9092 8.7200 8.7200 9.2944 9.2944 9.5205 9.5205 9.5635 9.5635 9.7233 9.7233 k = 0.2609 0.1506-0.0000 ( 29673 PWs) bands (ev): -14.9639 -14.9639 -14.9573 -14.9573 -7.9517 -7.9517 -7.3013 -7.3013 -7.2325 -7.2325 -7.2273 -7.2273 -6.9860 -6.9860 -6.9306 -6.9306 -3.7753 -3.7753 -3.7343 -3.7343 -2.4035 -2.4035 -2.3606 -2.3606 -2.3124 -2.3124 -2.2837 -2.2837 0.0769 0.0769 0.4510 0.4510 1.0003 1.0003 1.4831 1.4831 1.5467 1.5467 1.9534 1.9534 1.9903 1.9903 2.2289 2.2289 2.4698 2.4698 2.5258 2.5258 2.5556 2.5556 2.5949 2.5949 2.9095 2.9095 2.9703 2.9703 3.2372 3.2372 3.6502 3.6502 3.9823 3.9823 4.0078 4.0078 4.0144 4.0144 4.1081 4.1081 4.3014 4.3014 4.3281 4.3281 4.3767 4.3767 4.4951 4.4951 5.0381 5.0381 5.1568 5.1568 5.3557 5.3557 5.7430 5.7430 7.9150 7.9150 8.8031 8.8031 9.3394 9.3394 9.5253 9.5253 9.6059 9.6059 9.7748 9.7748 k = 0.2826 0.1632-0.0000 ( 29675 PWs) bands (ev): -14.9637 -14.9637 -14.9575 -14.9575 -7.9471 -7.9471 -7.3105 -7.3105 -7.2340 -7.2340 -7.2204 -7.2204 -6.9939 -6.9939 -6.9298 -6.9298 -3.7714 -3.7714 -3.7337 -3.7337 -2.3987 -2.3987 -2.3512 -2.3512 -2.3135 -2.3135 -2.2809 -2.2809 0.1102 0.1102 0.4458 0.4458 1.0239 1.0239 1.4761 1.4761 1.5473 1.5473 1.9569 1.9569 1.9924 1.9924 2.2127 2.2127 2.4743 2.4743 2.5044 2.5044 2.5566 2.5566 2.5977 2.5977 2.8842 2.8842 2.9413 2.9413 3.2049 3.2049 3.6541 3.6541 3.9487 3.9487 4.0033 4.0033 4.0120 4.0120 4.0851 4.0851 4.2988 4.2988 4.3301 4.3301 4.3745 4.3745 4.4991 4.4991 5.0410 5.0410 5.1600 5.1600 5.3173 5.3173 5.7390 5.7390 7.9204 7.9204 8.8859 8.8859 9.3863 9.3863 9.5042 9.5042 9.6711 9.6711 9.8061 9.8061 k = 0.3043 0.1757-0.0000 ( 29669 PWs) bands (ev): -14.9635 -14.9635 -14.9577 -14.9577 -7.9425 -7.9425 -7.3196 -7.3196 -7.2355 -7.2355 -7.2128 -7.2128 -7.0023 -7.0023 -6.9291 -6.9291 -3.7676 -3.7676 -3.7332 -3.7332 -2.3937 -2.3937 -2.3418 -2.3418 -2.3149 -2.3149 -2.2782 -2.2782 0.1436 0.1436 0.4407 0.4407 1.0474 1.0474 1.4686 1.4686 1.5493 1.5493 1.9601 1.9601 1.9952 1.9952 2.1970 2.1970 2.4679 2.4679 2.4914 2.4914 2.5582 2.5582 2.6007 2.6007 2.8536 2.8536 2.9178 2.9178 3.1741 3.1741 3.6578 3.6578 3.9174 3.9174 3.9940 3.9940 4.0110 4.0110 4.0667 4.0667 4.2965 4.2965 4.3322 4.3322 4.3723 4.3723 4.5026 4.5026 5.0434 5.0434 5.1633 5.1633 5.2811 5.2811 5.7358 5.7358 7.9253 7.9253 8.9674 8.9674 9.4345 9.4345 9.4823 9.4823 9.7326 9.7326 9.8380 9.8380 k = 0.3261 0.1883-0.0000 ( 29679 PWs) bands (ev): -14.9632 -14.9632 -14.9578 -14.9578 -7.9380 -7.9380 -7.3285 -7.3285 -7.2369 -7.2369 -7.2049 -7.2049 -7.0109 -7.0109 -6.9284 -6.9284 -3.7638 -3.7638 -3.7328 -3.7328 -2.3887 -2.3887 -2.3327 -2.3327 -2.3163 -2.3163 -2.2759 -2.2759 0.1763 0.1763 0.4358 0.4358 1.0703 1.0703 1.4608 1.4608 1.5528 1.5528 1.9627 1.9627 1.9988 1.9988 2.1822 2.1822 2.4429 2.4429 2.4951 2.4951 2.5591 2.5591 2.6038 2.6038 2.8215 2.8215 2.8972 2.8972 3.1454 3.1454 3.6614 3.6614 3.8893 3.8893 3.9794 3.9794 4.0105 4.0105 4.0544 4.0544 4.2942 4.2942 4.3344 4.3344 4.3702 4.3702 4.5057 4.5057 5.0451 5.0451 5.1662 5.1662 5.2479 5.2479 5.7332 5.7332 7.9296 7.9296 9.0470 9.0470 9.4605 9.4605 9.4839 9.4839 9.7883 9.7883 9.8735 9.8735 k = 0.3478 0.2008-0.0000 ( 29679 PWs) bands (ev): -14.9630 -14.9630 -14.9580 -14.9580 -7.9337 -7.9337 -7.3369 -7.3369 -7.2382 -7.2382 -7.1967 -7.1967 -7.0198 -7.0198 -6.9277 -6.9277 -3.7602 -3.7602 -3.7326 -3.7326 -2.3837 -2.3837 -2.3243 -2.3243 -2.3177 -2.3177 -2.2739 -2.2739 0.2077 0.2077 0.4313 0.4313 1.0923 1.0923 1.4526 1.4526 1.5579 1.5579 1.9648 1.9648 2.0029 2.0029 2.1690 2.1690 2.4136 2.4136 2.5017 2.5017 2.5591 2.5591 2.6069 2.6069 2.7915 2.7915 2.8775 2.8775 3.1196 3.1196 3.6649 3.6649 3.8645 3.8645 3.9612 3.9612 4.0102 4.0102 4.0472 4.0472 4.2922 4.2922 4.3367 4.3367 4.3680 4.3680 4.5084 4.5084 5.0462 5.0462 5.1683 5.1683 5.2189 5.2189 5.7312 5.7312 7.9334 7.9334 9.1241 9.1241 9.4412 9.4412 9.5313 9.5313 9.8376 9.8376 9.9128 9.9128 k = 0.3696 0.2134-0.0000 ( 29699 PWs) bands (ev): -14.9628 -14.9628 -14.9582 -14.9582 -7.9297 -7.9297 -7.3446 -7.3446 -7.2393 -7.2393 -7.1885 -7.1885 -7.0286 -7.0286 -6.9271 -6.9271 -3.7567 -3.7567 -3.7326 -3.7326 -2.3789 -2.3789 -2.3208 -2.3208 -2.3148 -2.3148 -2.2723 -2.2723 0.2370 0.2370 0.4272 0.4272 1.1130 1.1130 1.4441 1.4441 1.5644 1.5644 1.9662 1.9662 2.0070 2.0070 2.1582 2.1582 2.3830 2.3830 2.5086 2.5086 2.5579 2.5579 2.6097 2.6097 2.7659 2.7659 2.8577 2.8577 3.0971 3.0971 3.6682 3.6682 3.8429 3.8429 3.9420 3.9420 4.0100 4.0100 4.0431 4.0431 4.2904 4.2904 4.3390 4.3390 4.3660 4.3660 4.5106 4.5106 5.0465 5.0465 5.1675 5.1675 5.1966 5.1966 5.7297 5.7297 7.9365 7.9365 9.1986 9.1986 9.4235 9.4235 9.5763 9.5763 9.8793 9.8793 9.9549 9.9549 k = 0.3913 0.2259-0.0000 ( 29715 PWs) bands (ev): -14.9626 -14.9626 -14.9584 -14.9584 -7.9260 -7.9260 -7.3514 -7.3514 -7.2404 -7.2404 -7.1803 -7.1803 -7.0373 -7.0373 -6.9266 -6.9266 -3.7535 -3.7535 -3.7327 -3.7327 -2.3743 -2.3743 -2.3224 -2.3224 -2.3076 -2.3076 -2.2712 -2.2712 0.2634 0.2634 0.4236 0.4236 1.1320 1.1320 1.4354 1.4354 1.5719 1.5719 1.9671 1.9671 2.0105 2.0105 2.1504 2.1504 2.3522 2.3522 2.5150 2.5150 2.5554 2.5554 2.6121 2.6121 2.7465 2.7465 2.8376 2.8376 3.0784 3.0784 3.6714 3.6714 3.8246 3.8246 3.9236 3.9236 4.0098 4.0098 4.0408 4.0408 4.2888 4.2888 4.3413 4.3413 4.3639 4.3639 4.5124 4.5124 5.0459 5.0459 5.1585 5.1585 5.1866 5.1866 5.7285 5.7285 7.9390 7.9390 9.2700 9.2700 9.4082 9.4082 9.6166 9.6166 9.9089 9.9089 9.9982 9.9982 k = 0.4130 0.2385-0.0000 ( 29705 PWs) bands (ev): -14.9624 -14.9624 -14.9586 -14.9586 -7.9229 -7.9229 -7.3572 -7.3572 -7.2412 -7.2412 -7.1725 -7.1725 -7.0456 -7.0456 -6.9262 -6.9262 -3.7506 -3.7506 -3.7331 -3.7331 -2.3701 -2.3701 -2.3244 -2.3244 -2.3008 -2.3008 -2.2707 -2.2707 0.2863 0.2863 0.4206 0.4206 1.1491 1.1491 1.4269 1.4269 1.5798 1.5798 1.9676 1.9676 2.0132 2.0132 2.1464 2.1464 2.3226 2.3226 2.5206 2.5206 2.5518 2.5518 2.6139 2.6139 2.7341 2.7341 2.8177 2.8177 3.0633 3.0633 3.6742 3.6742 3.8095 3.8095 3.9073 3.9073 4.0097 4.0097 4.0394 4.0394 4.2875 4.2875 4.3437 4.3437 4.3619 4.3619 4.5138 4.5138 5.0446 5.0446 5.1447 5.1447 5.1855 5.1855 5.7276 5.7276 7.9410 7.9410 9.3376 9.3376 9.3960 9.3960 9.6499 9.6499 9.9124 9.9124 10.0074 10.0074 k = 0.4348 0.2510-0.0000 ( 29703 PWs) bands (ev): -14.9622 -14.9622 -14.9587 -14.9587 -7.9204 -7.9204 -7.3619 -7.3619 -7.2419 -7.2419 -7.1654 -7.1654 -7.0530 -7.0530 -6.9259 -6.9259 -3.7480 -3.7480 -3.7336 -3.7336 -2.3663 -2.3663 -2.3263 -2.3263 -2.2949 -2.2949 -2.2708 -2.2708 0.3048 0.3048 0.4182 0.4182 1.1635 1.1635 1.4190 1.4190 1.5872 1.5872 1.9677 1.9677 2.0148 2.0148 2.1461 2.1461 2.2953 2.2953 2.5250 2.5250 2.5477 2.5477 2.6150 2.6150 2.7287 2.7287 2.7985 2.7985 3.0518 3.0518 3.6767 3.6767 3.7976 3.7976 3.8940 3.8940 4.0096 4.0096 4.0385 4.0385 4.2864 4.2864 4.3459 4.3459 4.3598 4.3598 4.5148 4.5148 5.0427 5.0427 5.1329 5.1329 5.1864 5.1864 5.7270 5.7270 7.9425 7.9425 9.3801 9.3801 9.4074 9.4074 9.6736 9.6736 9.8879 9.8879 10.0203 10.0203 k = 0.4565 0.2636-0.0000 ( 29705 PWs) bands (ev): -14.9620 -14.9620 -14.9588 -14.9588 -7.9186 -7.9186 -7.3654 -7.3654 -7.2424 -7.2424 -7.1596 -7.1596 -7.0591 -7.0591 -6.9256 -6.9256 -3.7459 -3.7459 -3.7341 -3.7341 -2.3633 -2.3633 -2.3280 -2.3280 -2.2901 -2.2901 -2.2713 -2.2713 0.3185 0.3185 0.4164 0.4164 1.1747 1.1747 1.4125 1.4125 1.5933 1.5933 1.9675 1.9675 2.0156 2.0156 2.1488 2.1488 2.2723 2.2723 2.5279 2.5279 2.5442 2.5442 2.6157 2.6157 2.7291 2.7291 2.7809 2.7809 3.0438 3.0438 3.6786 3.6786 3.7891 3.7891 3.8841 3.8841 4.0095 4.0095 4.0380 4.0380 4.2856 4.2856 4.3481 4.3481 4.3579 4.3579 4.5156 4.5156 5.0407 5.0407 5.1246 5.1246 5.1874 5.1874 5.7265 5.7265 7.9435 7.9435 9.3753 9.3753 9.4626 9.4626 9.6847 9.6847 9.8572 9.8572 10.0369 10.0369 k = 0.4783 0.2761-0.0000 ( 29703 PWs) bands (ev): -14.9620 -14.9620 -14.9589 -14.9589 -7.9174 -7.9174 -7.3675 -7.3675 -7.2427 -7.2427 -7.1557 -7.1557 -7.0631 -7.0631 -6.9255 -6.9255 -3.7445 -3.7445 -3.7347 -3.7347 -2.3613 -2.3613 -2.3292 -2.3292 -2.2868 -2.2868 -2.2720 -2.2720 0.3269 0.3269 0.4154 0.4154 1.1818 1.1818 1.4082 1.4082 1.5973 1.5973 1.9673 1.9673 2.0160 2.0160 2.1524 2.1524 2.2562 2.2562 2.5293 2.5293 2.5421 2.5421 2.6160 2.6160 2.7337 2.7337 2.7662 2.7662 3.0391 3.0391 3.6799 3.6799 3.7839 3.7839 3.8780 3.8780 4.0095 4.0095 4.0377 4.0377 4.2852 4.2852 4.3500 4.3500 4.3561 4.3561 4.5160 4.5160 5.0391 5.0391 5.1199 5.1199 5.1882 5.1882 5.7263 5.7263 7.9441 7.9441 9.3711 9.3711 9.5077 9.5077 9.6824 9.6824 9.8353 9.8353 10.0487 10.0487 k = 0.5000 0.2887-0.0000 ( 29696 PWs) bands (ev): -14.9619 -14.9619 -14.9589 -14.9589 -7.9170 -7.9170 -7.3682 -7.3682 -7.2428 -7.2428 -7.1543 -7.1543 -7.0646 -7.0646 -6.9254 -6.9254 -3.7440 -3.7440 -3.7349 -3.7349 -2.3606 -2.3606 -2.3297 -2.3297 -2.2855 -2.2855 -2.2724 -2.2724 0.3298 0.3298 0.4150 0.4150 1.1843 1.1843 1.4067 1.4067 1.5987 1.5987 1.9672 1.9672 2.0161 2.0161 2.1542 2.1542 2.2502 2.2502 2.5296 2.5296 2.5414 2.5414 2.6161 2.6161 2.7376 2.7376 2.7591 2.7591 3.0376 3.0376 3.6803 3.6803 3.7821 3.7821 3.8760 3.8760 4.0095 4.0095 4.0377 4.0377 4.2850 4.2850 4.3510 4.3510 4.3552 4.3552 4.5162 4.5162 5.0386 5.0386 5.1183 5.1183 5.1885 5.1885 5.7262 5.7262 7.9443 7.9443 9.3696 9.3696 9.5267 9.5267 9.6776 9.6776 9.8279 9.8279 10.0529 10.0529 k = 0.5000 0.2887-0.0000 ( 29696 PWs) bands (ev): -14.9619 -14.9619 -14.9589 -14.9589 -7.9170 -7.9170 -7.3682 -7.3682 -7.2428 -7.2428 -7.1543 -7.1543 -7.0646 -7.0646 -6.9254 -6.9254 -3.7440 -3.7440 -3.7349 -3.7349 -2.3606 -2.3606 -2.3297 -2.3297 -2.2855 -2.2855 -2.2724 -2.2724 0.3298 0.3298 0.4150 0.4150 1.1843 1.1843 1.4067 1.4067 1.5987 1.5987 1.9672 1.9672 2.0161 2.0161 2.1542 2.1542 2.2502 2.2502 2.5296 2.5296 2.5414 2.5414 2.6161 2.6161 2.7376 2.7376 2.7591 2.7591 3.0376 3.0376 3.6803 3.6803 3.7821 3.7821 3.8760 3.8760 4.0095 4.0095 4.0377 4.0377 4.2850 4.2850 4.3510 4.3510 4.3552 4.3552 4.5162 4.5162 5.0386 5.0386 5.1183 5.1183 5.1885 5.1885 5.7262 5.7262 7.9443 7.9443 9.3696 9.3696 9.5267 9.5267 9.6776 9.6776 9.8279 9.8279 10.0529 10.0529 k = 0.4881 0.3093-0.0000 ( 29708 PWs) bands (ev): -14.9619 -14.9619 -14.9589 -14.9589 -7.9169 -7.9169 -7.3679 -7.3679 -7.2438 -7.2438 -7.1542 -7.1542 -7.0637 -7.0637 -6.9258 -6.9258 -3.7439 -3.7439 -3.7348 -3.7348 -2.3605 -2.3605 -2.3296 -2.3296 -2.2855 -2.2855 -2.2724 -2.2724 0.3309 0.3309 0.4149 0.4149 1.1854 1.1854 1.4062 1.4062 1.5984 1.5984 1.9637 1.9637 2.0165 2.0165 2.1541 2.1541 2.2512 2.2512 2.5301 2.5301 2.5419 2.5419 2.6160 2.6160 2.7336 2.7336 2.7642 2.7642 3.0365 3.0365 3.6800 3.6800 3.7794 3.7794 3.8760 3.8760 4.0095 4.0095 4.0377 4.0377 4.2834 4.2834 4.3503 4.3503 4.3569 4.3569 4.5160 4.5160 5.0392 5.0392 5.1201 5.1201 5.1885 5.1885 5.7231 5.7231 7.9432 7.9432 9.3745 9.3745 9.5317 9.5317 9.6831 9.6831 9.8334 9.8334 10.0574 10.0574 k = 0.4762 0.3299-0.0000 ( 29700 PWs) bands (ev): -14.9619 -14.9619 -14.9589 -14.9589 -7.9166 -7.9166 -7.3672 -7.3672 -7.2466 -7.2466 -7.1542 -7.1542 -7.0612 -7.0612 -6.9270 -6.9270 -3.7438 -3.7438 -3.7347 -3.7347 -2.3600 -2.3600 -2.3294 -2.3294 -2.2854 -2.2854 -2.2723 -2.2723 0.3344 0.3344 0.4145 0.4145 1.1888 1.1888 1.4050 1.4050 1.5976 1.5976 1.9541 1.9541 2.0176 2.0176 2.1537 2.1537 2.2538 2.2538 2.5317 2.5317 2.5432 2.5432 2.6158 2.6158 2.7268 2.7268 2.7747 2.7747 3.0332 3.0332 3.6788 3.6788 3.7715 3.7715 3.8760 3.8760 4.0094 4.0094 4.0379 4.0379 4.2789 4.2789 4.3494 4.3494 4.3605 4.3605 4.5157 4.5157 5.0409 5.0409 5.1253 5.1253 5.1886 5.1886 5.7141 5.7141 7.9398 7.9398 9.3891 9.3891 9.5468 9.5468 9.6993 9.6993 9.8495 9.8495 10.0709 10.0709 k = 0.4643 0.3505-0.0000 ( 29696 PWs) bands (ev): -14.9618 -14.9618 -14.9590 -14.9590 -7.9160 -7.9160 -7.3661 -7.3661 -7.2511 -7.2511 -7.1541 -7.1541 -7.0573 -7.0573 -6.9289 -6.9289 -3.7436 -3.7436 -3.7345 -3.7345 -2.3591 -2.3591 -2.3290 -2.3290 -2.2852 -2.2852 -2.2723 -2.2723 0.3400 0.3400 0.4139 0.4139 1.1941 1.1941 1.4030 1.4030 1.5963 1.5963 1.9394 1.9394 2.0189 2.0189 2.1532 2.1532 2.2571 2.2571 2.5342 2.5342 2.5457 2.5457 2.6155 2.6155 2.7205 2.7205 2.7869 2.7869 3.0279 3.0279 3.6765 3.6765 3.7592 3.7592 3.8758 3.8758 4.0094 4.0094 4.0382 4.0382 4.2726 4.2726 4.3489 4.3489 4.3648 4.3648 4.5151 4.5151 5.0433 5.0433 5.1339 5.1339 5.1889 5.1889 5.6994 5.6994 7.9344 7.9344 9.4131 9.4131 9.5717 9.5717 9.7262 9.7262 9.8758 9.8758 10.0928 10.0928 k = 0.4524 0.3712-0.0000 ( 29684 PWs) bands (ev): -14.9618 -14.9618 -14.9590 -14.9590 -7.9152 -7.9152 -7.3644 -7.3644 -7.2570 -7.2570 -7.1539 -7.1539 -7.0521 -7.0521 -6.9315 -6.9315 -3.7433 -3.7433 -3.7342 -3.7342 -2.3580 -2.3580 -2.3286 -2.3286 -2.2849 -2.2849 -2.2722 -2.2722 0.3477 0.3477 0.4130 0.4130 1.2014 1.2014 1.4004 1.4004 1.5948 1.5948 1.9209 1.9209 2.0201 2.0201 2.1524 2.1524 2.2602 2.2602 2.5373 2.5373 2.5496 2.5496 2.6151 2.6151 2.7159 2.7159 2.7995 2.7995 3.0208 3.0208 3.6721 3.6721 3.7442 3.7442 3.8752 3.8752 4.0093 4.0093 4.0385 4.0385 4.2657 4.2657 4.3485 4.3485 4.3691 4.3691 4.5142 4.5142 5.0463 5.0463 5.1455 5.1455 5.1896 5.1896 5.6796 5.6796 7.9274 7.9274 9.4461 9.4461 9.6058 9.6058 9.7633 9.7633 9.9116 9.9116 10.1216 10.1216 k = 0.4405 0.3918-0.0000 ( 29684 PWs) bands (ev): -14.9617 -14.9617 -14.9591 -14.9591 -7.9142 -7.9142 -7.3624 -7.3624 -7.2639 -7.2639 -7.1537 -7.1537 -7.0461 -7.0461 -6.9348 -6.9348 -3.7429 -3.7429 -3.7339 -3.7339 -2.3566 -2.3566 -2.3282 -2.3282 -2.2846 -2.2846 -2.2720 -2.2720 0.3570 0.3570 0.4120 0.4120 1.2102 1.2102 1.3974 1.3974 1.5932 1.5932 1.8998 1.8998 2.0215 2.0215 2.1513 2.1513 2.2621 2.2621 2.5404 2.5404 2.5557 2.5557 2.6146 2.6146 2.7129 2.7129 2.8122 2.8122 3.0121 3.0121 3.6640 3.6640 3.7291 3.7291 3.8743 3.8743 4.0092 4.0092 4.0388 4.0388 4.2587 4.2587 4.3483 4.3483 4.3730 4.3730 4.5132 4.5132 5.0494 5.0494 5.1588 5.1588 5.1915 5.1915 5.6555 5.6555 7.9193 7.9193 9.4875 9.4875 9.6485 9.6485 9.8101 9.8101 9.9557 9.9557 10.1391 10.1391 k = 0.4286 0.4124-0.0000 ( 29670 PWs) bands (ev): -14.9616 -14.9616 -14.9592 -14.9592 -7.9131 -7.9131 -7.3599 -7.3599 -7.2715 -7.2715 -7.1534 -7.1534 -7.0395 -7.0395 -6.9388 -6.9388 -3.7424 -3.7424 -3.7336 -3.7336 -2.3549 -2.3549 -2.3278 -2.3278 -2.2842 -2.2842 -2.2718 -2.2718 0.3677 0.3677 0.4109 0.4109 1.2201 1.2201 1.3942 1.3942 1.5917 1.5917 1.8768 1.8768 2.0230 2.0230 2.1498 2.1498 2.2623 2.2623 2.5431 2.5431 2.5639 2.5639 2.6140 2.6140 2.7117 2.7117 2.8245 2.8245 3.0022 3.0022 3.6502 3.6502 3.7168 3.7168 3.8730 3.8730 4.0090 4.0090 4.0392 4.0392 4.2524 4.2524 4.3481 4.3481 4.3764 4.3764 4.5121 4.5121 5.0524 5.0524 5.1709 5.1709 5.1972 5.1972 5.6279 5.6279 7.9105 7.9105 9.5367 9.5367 9.6987 9.6987 9.8661 9.8661 10.0070 10.0070 10.1386 10.1386 k = 0.4167 0.4330-0.0000 ( 29664 PWs) bands (ev): -14.9615 -14.9615 -14.9593 -14.9593 -7.9119 -7.9119 -7.3570 -7.3570 -7.2796 -7.2796 -7.1530 -7.1530 -7.0324 -7.0324 -6.9433 -6.9433 -3.7418 -3.7418 -3.7333 -3.7333 -2.3530 -2.3530 -2.3276 -2.3276 -2.2837 -2.2837 -2.2716 -2.2716 0.3793 0.3793 0.4097 0.4097 1.2306 1.2306 1.3909 1.3909 1.5908 1.5908 1.8528 1.8528 2.0248 2.0248 2.1477 2.1477 2.2610 2.2610 2.5454 2.5454 2.5739 2.5739 2.6135 2.6135 2.7119 2.7119 2.8361 2.8361 2.9914 2.9914 3.6304 3.6304 3.7089 3.7089 3.8714 3.8714 4.0089 4.0089 4.0395 4.0395 4.2470 4.2470 4.3480 4.3480 4.3793 4.3793 4.5110 4.5110 5.0554 5.0554 5.1775 5.1775 5.2103 5.2103 5.5978 5.5978 7.9015 7.9015 9.5929 9.5929 9.7554 9.7554 9.9304 9.9304 10.0638 10.0638 10.1353 10.1353 k = 0.4048 0.4536-0.0000 ( 29656 PWs) bands (ev): -14.9614 -14.9614 -14.9594 -14.9594 -7.9107 -7.9107 -7.3538 -7.3538 -7.2877 -7.2877 -7.1527 -7.1527 -7.0252 -7.0252 -6.9484 -6.9484 -3.7412 -3.7412 -3.7330 -3.7330 -2.3509 -2.3509 -2.3275 -2.3275 -2.2831 -2.2831 -2.2714 -2.2714 0.3913 0.3913 0.4086 0.4086 1.2413 1.2413 1.3878 1.3878 1.5909 1.5909 1.8285 1.8285 2.0269 2.0269 2.1448 2.1448 2.2582 2.2582 2.5474 2.5474 2.5850 2.5850 2.6131 2.6131 2.7131 2.7131 2.8465 2.8465 2.9801 2.9801 3.6070 3.6070 3.7042 3.7042 3.8695 3.8695 4.0088 4.0088 4.0397 4.0397 4.2426 4.2426 4.3479 4.3479 4.3815 4.3815 4.5098 4.5098 5.0581 5.0581 5.1800 5.1800 5.2290 5.2290 5.5661 5.5661 7.8929 7.8929 9.6555 9.6555 9.8169 9.8169 10.0018 10.0018 10.1243 10.1243 10.1304 10.1304 k = 0.3929 0.4743-0.0000 ( 29662 PWs) bands (ev): -14.9612 -14.9612 -14.9595 -14.9595 -7.9095 -7.9095 -7.3503 -7.3503 -7.2958 -7.2958 -7.1522 -7.1522 -7.0180 -7.0180 -6.9539 -6.9539 -3.7406 -3.7406 -3.7327 -3.7327 -2.3487 -2.3487 -2.3277 -2.3277 -2.2824 -2.2824 -2.2711 -2.2711 0.4023 0.4023 0.4084 0.4084 1.2516 1.2516 1.3850 1.3850 1.5924 1.5924 1.8045 1.8045 2.0296 2.0296 2.1411 2.1411 2.2547 2.2547 2.5491 2.5491 2.5963 2.5963 2.6130 2.6130 2.7151 2.7151 2.8556 2.8556 2.9688 2.9688 3.5831 3.5831 3.7013 3.7013 3.8674 3.8674 4.0087 4.0087 4.0399 4.0399 4.2392 4.2392 4.3478 4.3478 4.3832 4.3832 4.5088 4.5088 5.0606 5.0606 5.1809 5.1809 5.2501 5.2501 5.5340 5.5340 7.8849 7.8849 9.7234 9.7234 9.8814 9.8814 10.0784 10.0784 10.1238 10.1238 10.1872 10.1872 k = 0.3810 0.4949-0.0000 ( 29678 PWs) bands (ev): -14.9611 -14.9611 -14.9597 -14.9597 -7.9084 -7.9084 -7.3464 -7.3464 -7.3037 -7.3037 -7.1518 -7.1518 -7.0108 -7.0108 -6.9598 -6.9598 -3.7400 -3.7400 -3.7325 -3.7325 -2.3463 -2.3463 -2.3283 -2.3283 -2.2817 -2.2817 -2.2709 -2.2709 0.4053 0.4053 0.4156 0.4156 1.2609 1.2609 1.3824 1.3824 1.5958 1.5958 1.7814 1.7814 2.0326 2.0326 2.1365 2.1365 2.2510 2.2510 2.5505 2.5505 2.6058 2.6058 2.6144 2.6144 2.7173 2.7173 2.8631 2.8631 2.9580 2.9580 3.5607 3.5607 3.6995 3.6995 3.8652 3.8652 4.0085 4.0085 4.0401 4.0401 4.2366 4.2366 4.3478 4.3478 4.3844 4.3844 4.5079 4.5079 5.0627 5.0627 5.1813 5.1813 5.2720 5.2720 5.5024 5.5024 7.8780 7.8780 9.7957 9.7957 9.9466 9.9466 10.1126 10.1126 10.1613 10.1613 10.2493 10.2493 k = 0.3690 0.5155-0.0000 ( 29668 PWs) bands (ev): -14.9609 -14.9609 -14.9598 -14.9598 -7.9074 -7.9074 -7.3423 -7.3423 -7.3110 -7.3110 -7.1513 -7.1513 -7.0038 -7.0038 -6.9659 -6.9659 -3.7394 -3.7394 -3.7324 -3.7324 -2.3439 -2.3439 -2.3292 -2.3292 -2.2810 -2.2810 -2.2706 -2.2706 0.4046 0.4046 0.4251 0.4251 1.2689 1.2689 1.3800 1.3800 1.6009 1.6009 1.7601 1.7601 2.0360 2.0360 2.1314 2.1314 2.2477 2.2477 2.5516 2.5516 2.6094 2.6094 2.6204 2.6204 2.7196 2.7196 2.8690 2.8690 2.9480 2.9480 3.5417 3.5417 3.6983 3.6983 3.8632 3.8632 4.0084 4.0084 4.0402 4.0402 4.2349 4.2349 4.3478 4.3478 4.3852 4.3852 4.5073 4.5073 5.0645 5.0645 5.1815 5.1815 5.2936 5.2936 5.4726 5.4726 7.8724 7.8724 9.8706 9.8706 10.0094 10.0094 10.1019 10.1019 10.2417 10.2417 10.3071 10.3071 k = 0.3571 0.5361-0.0000 ( 29692 PWs) bands (ev): -14.9607 -14.9607 -14.9600 -14.9600 -7.9066 -7.9066 -7.3381 -7.3381 -7.3177 -7.3177 -7.1509 -7.1509 -6.9971 -6.9971 -6.9722 -6.9722 -3.7389 -3.7389 -3.7324 -3.7324 -2.3416 -2.3416 -2.3304 -2.3304 -2.2804 -2.2804 -2.2705 -2.2705 0.4040 0.4040 0.4327 0.4327 1.2753 1.2753 1.3778 1.3778 1.6073 1.6073 1.7420 1.7420 2.0393 2.0393 2.1264 2.1264 2.2451 2.2451 2.5525 2.5525 2.6099 2.6099 2.6275 2.6275 2.7215 2.7215 2.8732 2.8732 2.9397 2.9397 3.5275 3.5275 3.6975 3.6975 3.8615 3.8615 4.0084 4.0084 4.0402 4.0402 4.2338 4.2338 4.3477 4.3477 4.3856 4.3856 4.5068 4.5068 5.0658 5.0658 5.1817 5.1817 5.3138 5.3138 5.4463 5.4463 7.8683 7.8683 9.9449 9.9449 10.0651 10.0651 10.0883 10.0883 10.3168 10.3168 10.3483 10.3483 k = 0.3452 0.5567-0.0000 ( 29698 PWs) bands (ev): -14.9606 -14.9606 -14.9602 -14.9602 -7.9061 -7.9061 -7.3336 -7.3336 -7.3237 -7.3237 -7.1506 -7.1506 -6.9906 -6.9906 -6.9784 -6.9784 -3.7385 -3.7385 -3.7324 -3.7324 -2.3396 -2.3396 -2.3317 -2.3317 -2.2799 -2.2799 -2.2704 -2.2704 0.4035 0.4035 0.4377 0.4377 1.2795 1.2795 1.3759 1.3759 1.6133 1.6133 1.7290 1.7290 2.0419 2.0419 2.1224 2.1224 2.2435 2.2435 2.5530 2.5530 2.6099 2.6099 2.6323 2.6323 2.7228 2.7228 2.8758 2.8758 2.9338 2.9338 3.5187 3.5187 3.6970 3.6970 3.8603 3.8603 4.0083 4.0083 4.0402 4.0402 4.2333 4.2333 4.3477 4.3477 4.3858 4.3858 4.5065 4.5065 5.0665 5.0665 5.1818 5.1818 5.3296 5.3296 5.4265 5.4265 7.8659 7.8659 10.0115 10.0115 10.0716 10.0716 10.1076 10.1076 10.3382 10.3382 10.3846 10.3846 k = 0.3333 0.5774-0.0000 ( 29682 PWs) bands (ev): -14.9604 -14.9604 -14.9604 -14.9604 -7.9059 -7.9059 -7.3299 -7.3299 -7.3279 -7.3279 -7.1505 -7.1505 -6.9845 -6.9845 -6.9845 -6.9845 -3.7383 -3.7383 -3.7324 -3.7324 -2.3386 -2.3386 -2.3324 -2.3324 -2.2797 -2.2797 -2.2704 -2.2704 0.4033 0.4033 0.4395 0.4395 1.2811 1.2811 1.3752 1.3752 1.6159 1.6159 1.7241 1.7241 2.0430 2.0430 2.1209 2.1209 2.2429 2.2429 2.5531 2.5531 2.6099 2.6099 2.6339 2.6339 2.7233 2.7233 2.8767 2.8767 2.9316 2.9316 3.5158 3.5158 3.6968 3.6968 3.8598 3.8598 4.0083 4.0083 4.0402 4.0402 4.2331 4.2331 4.3477 4.3477 4.3858 4.3858 4.5065 4.5065 5.0668 5.0668 5.1818 5.1818 5.3360 5.3360 5.4187 5.4187 7.8650 7.8650 10.0515 10.0515 10.0540 10.0540 10.1245 10.1245 10.3226 10.3226 10.4174 10.4174 k = 0.3333 0.5774-0.0000 ( 29682 PWs) bands (ev): -14.9604 -14.9604 -14.9604 -14.9604 -7.9059 -7.9059 -7.3299 -7.3299 -7.3279 -7.3279 -7.1505 -7.1505 -6.9845 -6.9845 -6.9845 -6.9845 -3.7383 -3.7383 -3.7324 -3.7324 -2.3386 -2.3386 -2.3324 -2.3324 -2.2797 -2.2797 -2.2704 -2.2704 0.4033 0.4033 0.4395 0.4395 1.2811 1.2811 1.3752 1.3752 1.6159 1.6159 1.7241 1.7241 2.0430 2.0430 2.1209 2.1209 2.2429 2.2429 2.5531 2.5531 2.6099 2.6099 2.6339 2.6339 2.7233 2.7233 2.8767 2.8767 2.9316 2.9316 3.5158 3.5158 3.6968 3.6968 3.8598 3.8598 4.0083 4.0083 4.0402 4.0402 4.2331 4.2331 4.3477 4.3477 4.3858 4.3858 4.5065 4.5065 5.0668 5.0668 5.1818 5.1818 5.3360 5.3360 5.4187 5.4187 7.8650 7.8650 10.0515 10.0515 10.0540 10.0540 10.1245 10.1245 10.3226 10.3226 10.4174 10.4174 k = 0.3210 0.5560-0.0000 ( 29692 PWs) bands (ev): -14.9606 -14.9606 -14.9602 -14.9602 -7.9061 -7.9061 -7.3333 -7.3333 -7.3239 -7.3239 -7.1506 -7.1506 -6.9904 -6.9904 -6.9785 -6.9785 -3.7385 -3.7385 -3.7324 -3.7324 -2.3398 -2.3398 -2.3315 -2.3315 -2.2800 -2.2800 -2.2704 -2.2704 0.4035 0.4035 0.4375 0.4375 1.2792 1.2792 1.3763 1.3763 1.6127 1.6127 1.7296 1.7296 2.0417 2.0417 2.1228 2.1228 2.2436 2.2436 2.5529 2.5529 2.6099 2.6099 2.6322 2.6322 2.7227 2.7227 2.8759 2.8759 2.9342 2.9342 3.5188 3.5188 3.6970 3.6970 3.8604 3.8604 4.0083 4.0083 4.0402 4.0402 4.2332 4.2332 4.3477 4.3477 4.3858 4.3858 4.5065 4.5065 5.0665 5.0665 5.1817 5.1817 5.3301 5.3301 5.4262 5.4262 7.8659 7.8659 10.0305 10.0305 10.0474 10.0474 10.1038 10.1038 10.3459 10.3459 10.3875 10.3875 k = 0.3086 0.5346-0.0000 ( 29691 PWs) bands (ev): -14.9608 -14.9608 -14.9600 -14.9600 -7.9068 -7.9068 -7.3365 -7.3365 -7.3190 -7.3190 -7.1512 -7.1512 -6.9958 -6.9958 -6.9730 -6.9730 -3.7391 -3.7391 -3.7323 -3.7322 -2.3424 -2.3424 -2.3297 -2.3297 -2.2809 -2.2809 -2.2704 -2.2704 0.4041 0.4041 0.4312 0.4312 1.2731 1.2731 1.3799 1.3799 1.6046 1.6046 1.7445 1.7445 2.0379 2.0379 2.1284 2.1284 2.2459 2.2459 2.5523 2.5523 2.6101 2.6101 2.6277 2.6277 2.7209 2.7209 2.8740 2.8740 2.9420 2.9420 3.5274 3.5274 3.6978 3.6978 3.8623 3.8623 4.0084 4.0084 4.0403 4.0403 4.2336 4.2336 4.3477 4.3477 4.3859 4.3859 4.5067 4.5067 5.0658 5.0658 5.1815 5.1815 5.3179 5.3179 5.4432 5.4432 7.8683 7.8683 10.0031 10.0031 10.0064 10.0064 10.0485 10.0485 10.3297 10.3297 10.3952 10.3952 k = 0.2963 0.5132-0.0000 ( 29681 PWs) bands (ev): -14.9610 -14.9610 -14.9597 -14.9597 -7.9080 -7.9080 -7.3385 -7.3385 -7.3141 -7.3141 -7.1524 -7.1524 -7.0004 -7.0004 -6.9678 -6.9678 -3.7402 -3.7402 -3.7320 -3.7320 -2.3458 -2.3458 -2.3276 -2.3276 -2.2827 -2.2827 -2.2703 -2.2703 0.4050 0.4050 0.4207 0.4207 1.2629 1.2629 1.3860 1.3860 1.5941 1.5941 1.7655 1.7655 2.0325 2.0325 2.1363 2.1363 2.2504 2.2504 2.5512 2.5512 2.6102 2.6102 2.6213 2.6213 2.7180 2.7180 2.8724 2.8724 2.9542 2.9542 3.5408 3.5408 3.6992 3.6992 3.8659 3.8659 4.0085 4.0085 4.0403 4.0403 4.2342 4.2342 4.3477 4.3477 4.3861 4.3861 4.5068 4.5068 5.0646 5.0646 5.1810 5.1810 5.3054 5.3054 5.4638 5.4638 7.8722 7.8722 9.9476 9.9476 9.9593 9.9593 9.9910 9.9910 10.2631 10.2631 10.4133 10.4133 k = 0.2840 0.4918-0.0000 ( 29677 PWs) bands (ev): -14.9613 -14.9613 -14.9595 -14.9595 -7.9096 -7.9096 -7.3393 -7.3393 -7.3092 -7.3092 -7.1543 -7.1543 -7.0040 -7.0040 -6.9631 -6.9631 -3.7417 -3.7417 -3.7318 -3.7318 -2.3496 -2.3496 -2.3255 -2.3255 -2.2854 -2.2854 -2.2702 -2.2702 0.4036 0.4036 0.4088 0.4088 1.2493 1.2493 1.3938 1.3938 1.5833 1.5833 1.7901 1.7901 2.0264 2.0264 2.1449 2.1449 2.2580 2.2580 2.5496 2.5496 2.6099 2.6099 2.6147 2.6147 2.7144 2.7144 2.8719 2.8719 2.9699 2.9699 3.5578 3.5578 3.7017 3.7017 3.8715 3.8715 4.0086 4.0086 4.0404 4.0404 4.2350 4.2350 4.3476 4.3476 4.3865 4.3865 4.5069 4.5069 5.0632 5.0632 5.1802 5.1802 5.2950 5.2950 5.4857 5.4857 7.8771 7.8771 9.8719 9.8719 9.8916 9.8916 9.9601 9.9601 10.1920 10.1920 10.3620 10.3620 k = 0.2716 0.4704-0.0000 ( 29675 PWs) bands (ev): -14.9615 -14.9615 -14.9593 -14.9593 -7.9118 -7.9118 -7.3390 -7.3390 -7.3043 -7.3043 -7.1569 -7.1569 -7.0065 -7.0065 -6.9588 -6.9588 -3.7436 -3.7436 -3.7315 -3.7315 -2.3539 -2.3539 -2.3235 -2.3235 -2.2889 -2.2889 -2.2703 -2.2703 0.3861 0.3861 0.4093 0.4093 1.2328 1.2328 1.4026 1.4026 1.5732 1.5732 1.8162 1.8162 2.0204 2.0204 2.1524 2.1524 2.2698 2.2698 2.5474 2.5474 2.6053 2.6053 2.6127 2.6127 2.7111 2.7111 2.8732 2.8732 2.9884 2.9884 3.5772 3.5772 3.7058 3.7058 3.8791 3.8791 4.0087 4.0087 4.0406 4.0406 4.2359 4.2359 4.3475 4.3475 4.3871 4.3871 4.5069 4.5069 5.0615 5.0615 5.1791 5.1791 5.2876 5.2876 5.5079 5.5079 7.8828 7.8828 9.7783 9.7783 9.8346 9.8346 9.9325 9.9325 10.1189 10.1189 10.2864 10.2864 k = 0.2593 0.4491-0.0000 ( 29667 PWs) bands (ev): -14.9617 -14.9617 -14.9591 -14.9591 -7.9145 -7.9145 -7.3374 -7.3374 -7.2995 -7.2995 -7.1604 -7.1604 -7.0078 -7.0078 -6.9549 -6.9549 -3.7458 -3.7458 -3.7313 -3.7313 -2.3584 -2.3584 -2.3217 -2.3217 -2.2933 -2.2933 -2.2705 -2.2705 0.3635 0.3635 0.4117 0.4117 1.2140 1.2140 1.4117 1.4117 1.5645 1.5645 1.8424 1.8424 2.0150 2.0150 2.1576 2.1576 2.2861 2.2861 2.5444 2.5444 2.5990 2.5990 2.6132 2.6132 2.7096 2.7096 2.8764 2.8764 3.0092 3.0092 3.5972 3.5972 3.7125 3.7125 3.8891 3.8891 4.0088 4.0088 4.0409 4.0409 4.2370 4.2370 4.3473 4.3473 4.3879 4.3879 4.5066 4.5066 5.0598 5.0598 5.1776 5.1776 5.2835 5.2835 5.5300 5.5300 7.8890 7.8890 9.6809 9.6809 9.7822 9.7822 9.9054 9.9054 10.0451 10.0451 10.2037 10.2037 k = 0.2469 0.4277-0.0000 ( 29687 PWs) bands (ev): -14.9620 -14.9620 -14.9589 -14.9589 -7.9176 -7.9176 -7.3347 -7.3347 -7.2948 -7.2948 -7.1648 -7.1648 -7.0079 -7.0079 -6.9514 -6.9514 -3.7483 -3.7483 -3.7312 -3.7312 -2.3631 -2.3631 -2.3200 -2.3200 -2.2986 -2.2986 -2.2710 -2.2710 0.3375 0.3375 0.4147 0.4147 1.1933 1.1933 1.4208 1.4208 1.5573 1.5573 1.8675 1.8675 2.0105 2.0105 2.1609 2.1609 2.3067 2.3067 2.5407 2.5407 2.5932 2.5932 2.6135 2.6135 2.7117 2.7117 2.8813 2.8813 3.0319 3.0319 3.6156 3.6156 3.7234 3.7234 3.9014 3.9014 4.0090 4.0090 4.0414 4.0414 4.2383 4.2383 4.3471 4.3471 4.3890 4.3890 4.5061 4.5061 5.0580 5.0580 5.1757 5.1757 5.2828 5.2828 5.5518 5.5518 7.8952 7.8952 9.5819 9.5819 9.7352 9.7352 9.8790 9.8790 9.9717 9.9717 10.1181 10.1181 k = 0.2346 0.4063-0.0000 ( 29681 PWs) bands (ev): -14.9623 -14.9623 -14.9586 -14.9586 -7.9212 -7.9212 -7.3310 -7.3310 -7.2902 -7.2902 -7.1698 -7.1698 -7.0067 -7.0067 -6.9483 -6.9483 -3.7511 -3.7511 -3.7313 -3.7313 -2.3681 -2.3681 -2.3184 -2.3184 -2.3047 -2.3047 -2.2717 -2.2717 0.3087 0.3087 0.4182 0.4182 1.1712 1.1712 1.4296 1.4296 1.5517 1.5517 1.8902 1.8902 2.0069 2.0069 2.1633 2.1633 2.3306 2.3306 2.5362 2.5362 2.5881 2.5881 2.6130 2.6130 2.7194 2.7194 2.8878 2.8878 3.0561 3.0561 3.6304 3.6304 3.7401 3.7401 3.9159 3.9159 4.0092 4.0092 4.0424 4.0424 4.2399 4.2399 4.3468 4.3468 4.3902 4.3902 4.5052 4.5052 5.0561 5.0561 5.1737 5.1737 5.2856 5.2856 5.5731 5.5731 7.9009 7.9009 9.4822 9.4822 9.6944 9.6944 9.8536 9.8536 9.8991 9.8991 10.0314 10.0314 k = 0.2222 0.3849-0.0000 ( 29691 PWs) bands (ev): -14.9625 -14.9625 -14.9584 -14.9584 -7.9251 -7.9251 -7.3263 -7.3263 -7.2859 -7.2859 -7.1755 -7.1755 -7.0045 -7.0045 -6.9455 -6.9455 -3.7542 -3.7542 -3.7314 -3.7314 -2.3732 -2.3732 -2.3170 -2.3170 -2.3115 -2.3115 -2.2728 -2.2728 0.2776 0.2776 0.4221 0.4221 1.1479 1.1479 1.4379 1.4379 1.5476 1.5476 1.9094 1.9094 2.0042 2.0042 2.1662 2.1662 2.3565 2.3565 2.5310 2.5310 2.5835 2.5835 2.6113 2.6113 2.7338 2.7338 2.8958 2.8958 3.0816 3.0816 3.6404 3.6404 3.7632 3.7632 3.9324 3.9324 4.0094 4.0094 4.0440 4.0440 4.2418 4.2418 4.3464 4.3464 4.3915 4.3915 4.5040 4.5040 5.0542 5.0542 5.1714 5.1714 5.2920 5.2920 5.5938 5.5938 7.9060 7.9060 9.3826 9.3826 9.6601 9.6601 9.8274 9.8274 9.8301 9.8301 9.9446 9.9446 k = 0.2099 0.3635-0.0000 ( 29699 PWs) bands (ev): -14.9628 -14.9628 -14.9582 -14.9582 -7.9293 -7.9293 -7.3207 -7.3207 -7.2817 -7.2817 -7.1816 -7.1816 -7.0014 -7.0014 -6.9431 -6.9431 -3.7575 -3.7575 -3.7316 -3.7316 -2.3784 -2.3784 -2.3192 -2.3192 -2.3156 -2.3156 -2.2741 -2.2741 0.2447 0.2447 0.4264 0.4264 1.1236 1.1236 1.4460 1.4460 1.5448 1.5448 1.9244 1.9244 2.0021 2.0021 2.1711 2.1711 2.3831 2.3831 2.5252 2.5252 2.5791 2.5791 2.6088 2.6088 2.7548 2.7548 2.9050 2.9050 3.1083 3.1083 3.6463 3.6463 3.7920 3.7920 3.9503 3.9503 4.0097 4.0097 4.0467 4.0467 4.2441 4.2441 4.3459 4.3459 4.3927 4.3927 4.5024 4.5024 5.0521 5.0521 5.1689 5.1689 5.3019 5.3019 5.6139 5.6139 7.9100 7.9100 9.2834 9.2834 9.6325 9.6325 9.7588 9.7588 9.8062 9.8062 9.8592 9.8592 k = 0.1975 0.3421-0.0000 ( 29689 PWs) bands (ev): -14.9630 -14.9630 -14.9580 -14.9580 -7.9338 -7.9338 -7.3144 -7.3144 -7.2778 -7.2778 -7.1880 -7.1880 -6.9975 -6.9975 -6.9411 -6.9411 -3.7610 -3.7610 -3.7320 -3.7320 -2.3836 -2.3836 -2.3272 -2.3272 -2.3145 -2.3145 -2.2758 -2.2758 0.2106 0.2106 0.4310 0.4310 1.0988 1.0988 1.4537 1.4537 1.5431 1.5431 1.9350 1.9350 2.0002 2.0002 2.1786 2.1786 2.4091 2.4091 2.5195 2.5195 2.5749 2.5749 2.6058 2.6058 2.7817 2.7817 2.9155 2.9155 3.1359 3.1359 3.6492 3.6492 3.8249 3.8249 3.9684 3.9684 4.0099 4.0099 4.0513 4.0513 4.2469 4.2469 4.3454 4.3454 4.3939 4.3939 4.5004 4.5004 5.0499 5.0499 5.1663 5.1663 5.3155 5.3155 5.6332 5.6332 7.9127 7.9127 9.1851 9.1851 9.6117 9.6117 9.6920 9.6920 9.7672 9.7672 9.7928 9.7928 k = 0.1852 0.3208-0.0000 ( 29679 PWs) bands (ev): -14.9633 -14.9633 -14.9578 -14.9578 -7.9384 -7.9384 -7.3075 -7.3075 -7.2742 -7.2742 -7.1944 -7.1944 -6.9930 -6.9930 -6.9394 -6.9394 -3.7647 -3.7647 -3.7324 -3.7324 -2.3889 -2.3889 -2.3357 -2.3357 -2.3134 -2.3134 -2.2778 -2.2778 0.1759 0.1759 0.4359 0.4359 1.0735 1.0735 1.4613 1.4613 1.5424 1.5424 1.9418 1.9418 1.9981 1.9981 2.1890 2.1890 2.4329 2.4329 2.5152 2.5152 2.5708 2.5709 2.6027 2.6027 2.8128 2.8128 2.9276 2.9276 3.1643 3.1643 3.6501 3.6501 3.8608 3.8608 3.9849 3.9849 4.0103 4.0103 4.0594 4.0594 4.2502 4.2502 4.3447 4.3447 4.3950 4.3950 4.4979 4.4979 5.0474 5.0474 5.1635 5.1635 5.3327 5.3327 5.6518 5.6518 7.9139 7.9139 9.0879 9.0879 9.5974 9.5974 9.6278 9.6278 9.6876 9.6876 9.7709 9.7709 k = 0.1728 0.2994-0.0000 ( 29669 PWs) bands (ev): -14.9635 -14.9635 -14.9576 -14.9576 -7.9431 -7.9431 -7.3000 -7.3000 -7.2711 -7.2711 -7.2007 -7.2007 -6.9880 -6.9880 -6.9380 -6.9380 -3.7684 -3.7684 -3.7330 -3.7330 -2.3941 -2.3941 -2.3446 -2.3446 -2.3125 -2.3125 -2.2801 -2.2801 0.1410 0.1410 0.4411 0.4411 1.0482 1.0482 1.4687 1.4687 1.5425 1.5425 1.9455 1.9455 1.9959 1.9959 2.2019 2.2019 2.4516 2.4516 2.5147 2.5147 2.5671 2.5671 2.5997 2.5997 2.8460 2.8460 2.9420 2.9420 3.1934 3.1934 3.6496 3.6496 3.8990 3.8990 3.9975 3.9975 4.0110 4.0110 4.0727 4.0727 4.2539 4.2539 4.3440 4.3440 4.3958 4.3958 4.4951 4.4951 5.0446 5.0446 5.1607 5.1607 5.3533 5.3533 5.6695 5.6695 7.9137 7.9137 8.9922 8.9922 9.5663 9.5663 9.5869 9.5869 9.6099 9.6099 9.7540 9.7540 k = 0.1605 0.2780-0.0000 ( 29671 PWs) bands (ev): -14.9637 -14.9637 -14.9574 -14.9574 -7.9478 -7.9478 -7.2922 -7.2922 -7.2685 -7.2685 -7.2065 -7.2065 -6.9828 -6.9828 -6.9369 -6.9369 -3.7722 -3.7722 -3.7336 -3.7336 -2.3991 -2.3991 -2.3537 -2.3537 -2.3117 -2.3117 -2.2825 -2.2825 0.1063 0.1063 0.4464 0.4464 1.0230 1.0230 1.4760 1.4760 1.5432 1.5432 1.9469 1.9469 1.9936 1.9936 2.2165 2.2165 2.4616 2.4616 2.5211 2.5211 2.5642 2.5642 2.5969 2.5969 2.8784 2.8784 2.9600 2.9600 3.2231 3.2231 3.6482 3.6482 3.9387 3.9387 4.0051 4.0051 4.0126 4.0126 4.0915 4.0915 4.2581 4.2581 4.3431 4.3431 4.3963 4.3963 4.4919 4.4919 5.0416 5.0416 5.1579 5.1579 5.3772 5.3772 5.6866 5.6866 7.9121 7.9121 8.8983 8.8983 9.5075 9.5075 9.5279 9.5279 9.5897 9.5897 9.7386 9.7386 k = 0.1481 0.2566-0.0000 ( 29655 PWs) bands (ev): -14.9639 -14.9639 -14.9573 -14.9573 -7.9525 -7.9525 -7.2842 -7.2842 -7.2665 -7.2665 -7.2118 -7.2118 -6.9775 -6.9775 -6.9361 -6.9361 -3.7760 -3.7760 -3.7343 -3.7343 -2.4041 -2.4041 -2.3628 -2.3628 -2.3110 -2.3110 -2.2852 -2.2852 0.0724 0.0724 0.4517 0.4517 0.9983 0.9983 1.4830 1.4830 1.5445 1.5445 1.9469 1.9469 1.9915 1.9915 2.2320 2.2320 2.4635 2.4635 2.5324 2.5324 2.5634 2.5634 2.5943 2.5943 2.9065 2.9065 2.9836 2.9836 3.2531 3.2531 3.6460 3.6460 3.9788 3.9788 4.0080 4.0080 4.0162 4.0162 4.1143 4.1143 4.2629 4.2629 4.3420 4.3420 4.3964 4.3964 4.4883 4.4883 5.0383 5.0383 5.1551 5.1551 5.4039 5.4039 5.7029 5.7029 7.9092 7.9092 8.8066 8.8066 9.4470 9.4470 9.4596 9.4596 9.5923 9.5923 9.7208 9.7208 k = 0.1358 0.2352-0.0000 ( 29667 PWs) bands (ev): -14.9642 -14.9642 -14.9571 -14.9571 -7.9570 -7.9570 -7.2761 -7.2761 -7.2653 -7.2653 -7.2161 -7.2161 -6.9721 -6.9721 -6.9355 -6.9355 -3.7798 -3.7798 -3.7350 -3.7350 -2.4088 -2.4088 -2.3719 -2.3719 -2.3103 -2.3103 -2.2879 -2.2879 0.0397 0.0397 0.4571 0.4571 0.9743 0.9743 1.4898 1.4898 1.5461 1.5461 1.9459 1.9459 1.9898 1.9898 2.2477 2.2477 2.4615 2.4615 2.5403 2.5403 2.5688 2.5688 2.5919 2.5919 2.9284 2.9284 3.0134 3.0134 3.2834 3.2834 3.6434 3.6434 4.0088 4.0088 4.0090 4.0090 4.0307 4.0307 4.1393 4.1393 4.2681 4.2681 4.3408 4.3408 4.3963 4.3963 4.4844 4.4844 5.0347 5.0347 5.1524 5.1524 5.4328 5.4328 5.7186 5.7186 7.9052 7.9052 8.7175 8.7175 9.3788 9.3788 9.4059 9.4059 9.5994 9.5994 9.6838 9.6838 k = 0.1235 0.2138-0.0000 ( 29667 PWs) bands (ev): -14.9644 -14.9644 -14.9570 -14.9570 -7.9614 -7.9614 -7.2681 -7.2681 -7.2651 -7.2651 -7.2194 -7.2194 -6.9669 -6.9669 -6.9352 -6.9352 -3.7835 -3.7835 -3.7358 -3.7358 -2.4133 -2.4133 -2.3808 -2.3808 -2.3098 -2.3098 -2.2907 -2.2907 0.0085 0.0085 0.4624 0.4624 0.9512 0.9512 1.4963 1.4963 1.5479 1.5479 1.9446 1.9446 1.9884 1.9884 2.2630 2.2630 2.4585 2.4585 2.5411 2.5411 2.5813 2.5813 2.5899 2.5899 2.9451 2.9451 3.0469 3.0469 3.3138 3.3138 3.6404 3.6404 4.0094 4.0094 4.0148 4.0148 4.0690 4.0690 4.1650 4.1650 4.2737 4.2737 4.3394 4.3394 4.3957 4.3957 4.4802 4.4802 5.0310 5.0310 5.1498 5.1498 5.4633 5.4633 5.7338 5.7338 7.9004 7.9004 8.6318 8.6318 9.3123 9.3123 9.3586 9.3586 9.6052 9.6052 9.6242 9.6242 k = 0.1111 0.1925-0.0000 ( 29683 PWs) bands (ev): -14.9645 -14.9645 -14.9568 -14.9568 -7.9655 -7.9655 -7.2658 -7.2658 -7.2602 -7.2602 -7.2216 -7.2216 -6.9618 -6.9618 -6.9351 -6.9351 -3.7870 -3.7870 -3.7366 -3.7366 -2.4176 -2.4176 -2.3893 -2.3893 -2.3093 -2.3093 -2.2935 -2.2935 -0.0208 -0.0208 0.4675 0.4675 0.9295 0.9295 1.5023 1.5023 1.5499 1.5499 1.9434 1.9434 1.9872 1.9872 2.2776 2.2776 2.4559 2.4559 2.5387 2.5387 2.5871 2.5871 2.5967 2.5967 2.9586 2.9586 3.0809 3.0809 3.3440 3.3440 3.6372 3.6372 4.0097 4.0097 4.0164 4.0164 4.1108 4.1108 4.1904 4.1904 4.2796 4.2796 4.3379 4.3379 4.3950 4.3950 4.4759 4.4759 5.0273 5.0273 5.1474 5.1474 5.4942 5.4942 5.7488 5.7488 7.8951 7.8951 8.5500 8.5500 9.2499 9.2499 9.3158 9.3158 9.5459 9.5459 9.6057 9.6057 k = 0.0988 0.1711-0.0000 ( 29677 PWs) bands (ev): -14.9647 -14.9647 -14.9567 -14.9567 -7.9693 -7.9693 -7.2674 -7.2674 -7.2528 -7.2528 -7.2227 -7.2227 -6.9571 -6.9571 -6.9351 -6.9351 -3.7903 -3.7903 -3.7374 -3.7374 -2.4215 -2.4215 -2.3973 -2.3973 -2.3089 -2.3089 -2.2962 -2.2962 -0.0479 -0.0479 0.4724 0.4724 0.9092 0.9092 1.5077 1.5077 1.5519 1.5519 1.9425 1.9425 1.9861 1.9861 2.2910 2.2910 2.4540 2.4540 2.5354 2.5354 2.5854 2.5854 2.6105 2.6105 2.9701 2.9701 3.1134 3.1134 3.3737 3.3737 3.6338 3.6338 4.0099 4.0099 4.0171 4.0171 4.1520 4.1520 4.2149 4.2149 4.2858 4.2858 4.3364 4.3364 4.3941 4.3941 4.4714 4.4714 5.0236 5.0236 5.1452 5.1452 5.5246 5.5246 5.7637 5.7637 7.8895 7.8895 8.4730 8.4730 9.1922 9.1922 9.2773 9.2773 9.4761 9.4761 9.5118 9.5118 k = 0.0864 0.1497-0.0000 ( 29677 PWs) bands (ev): -14.9649 -14.9649 -14.9566 -14.9566 -7.9727 -7.9727 -7.2695 -7.2695 -7.2458 -7.2458 -7.2230 -7.2230 -6.9527 -6.9527 -6.9353 -6.9353 -3.7934 -3.7934 -3.7381 -3.7381 -2.4250 -2.4250 -2.4046 -2.4046 -2.3085 -2.3085 -2.2988 -2.2988 -0.0724 -0.0724 0.4770 0.4770 0.8907 0.8907 1.5125 1.5125 1.5538 1.5538 1.9421 1.9421 1.9851 1.9851 2.3029 2.3029 2.4532 2.4532 2.5319 2.5319 2.5837 2.5837 2.6230 2.6230 2.9802 2.9802 3.1430 3.1430 3.4023 3.4023 3.6305 3.6305 4.0100 4.0100 4.0174 4.0174 4.1910 4.1910 4.2377 4.2377 4.2921 4.2921 4.3354 4.3354 4.3931 4.3931 4.4668 4.4668 5.0200 5.0200 5.1433 5.1433 5.5531 5.5531 5.7789 5.7789 7.8840 7.8840 8.4016 8.4016 9.1396 9.1396 9.2431 9.2431 9.4088 9.4088 9.4278 9.4278 k = 0.0741 0.1283-0.0000 ( 29669 PWs) bands (ev): -14.9650 -14.9650 -14.9565 -14.9565 -7.9758 -7.9758 -7.2719 -7.2719 -7.2394 -7.2394 -7.2227 -7.2227 -6.9487 -6.9487 -6.9356 -6.9356 -3.7962 -3.7962 -3.7388 -3.7388 -2.4282 -2.4282 -2.4113 -2.4113 -2.3082 -2.3082 -2.3012 -2.3012 -0.0942 -0.0942 0.4812 0.4812 0.8741 0.8741 1.5167 1.5167 1.5557 1.5557 1.9423 1.9423 1.9840 1.9840 2.3131 2.3131 2.4534 2.4534 2.5284 2.5284 2.5822 2.5822 2.6339 2.6339 2.9889 2.9889 3.1691 3.1691 3.4294 3.4294 3.6272 3.6272 4.0102 4.0102 4.0176 4.0176 4.2261 4.2261 4.2582 4.2582 4.2984 4.2984 4.3358 4.3358 4.3923 4.3923 4.4620 4.4620 5.0167 5.0167 5.1416 5.1416 5.5787 5.5787 5.7945 5.7945 7.8788 7.8788 8.3369 8.3369 9.0925 9.0925 9.2132 9.2132 9.3456 9.3456 9.3554 9.3554 k = 0.0617 0.1069-0.0000 ( 29661 PWs) bands (ev): -14.9651 -14.9651 -14.9564 -14.9564 -7.9785 -7.9785 -7.2742 -7.2742 -7.2338 -7.2338 -7.2222 -7.2222 -6.9453 -6.9453 -6.9360 -6.9360 -3.7986 -3.7986 -3.7394 -3.7394 -2.4310 -2.4310 -2.4170 -2.4170 -2.3080 -2.3080 -2.3033 -2.3033 -0.1131 -0.1131 0.4849 0.4849 0.8597 0.8597 1.5203 1.5203 1.5573 1.5573 1.9430 1.9430 1.9828 1.9828 2.3216 2.3216 2.4544 2.4544 2.5252 2.5252 2.5809 2.5809 2.6429 2.6429 2.9964 2.9964 3.1912 3.1912 3.4541 3.4541 3.6242 3.6242 4.0102 4.0102 4.0176 4.0176 4.2552 4.2552 4.2754 4.2754 4.3041 4.3041 4.3401 4.3401 4.3916 4.3916 4.4572 4.4572 5.0137 5.0137 5.1403 5.1403 5.6003 5.6003 5.8101 5.8101 7.8740 7.8740 8.2799 8.2799 9.0511 9.0511 9.1878 9.1878 9.2872 9.2872 9.2955 9.2955 k = 0.0494 0.0855-0.0000 ( 29673 PWs) bands (ev): -14.9652 -14.9652 -14.9564 -14.9564 -7.9807 -7.9807 -7.2763 -7.2763 -7.2290 -7.2290 -7.2215 -7.2215 -6.9425 -6.9425 -6.9363 -6.9363 -3.8006 -3.8006 -3.7399 -3.7399 -2.4333 -2.4333 -2.4218 -2.4218 -2.3078 -2.3078 -2.3050 -2.3050 -0.1287 -0.1287 0.4880 0.4880 0.8477 0.8477 1.5232 1.5232 1.5587 1.5587 1.9440 1.9440 1.9815 1.9815 2.3284 2.3284 2.4559 2.4559 2.5224 2.5224 2.5798 2.5798 2.6502 2.6502 3.0026 3.0026 3.2093 3.2093 3.4757 3.4757 3.6216 3.6216 4.0103 4.0103 4.0176 4.0176 4.2770 4.2770 4.2879 4.2879 4.3075 4.3075 4.3511 4.3511 4.3912 4.3912 4.4523 4.4523 5.0111 5.0111 5.1392 5.1392 5.6176 5.6176 5.8251 5.8251 7.8699 7.8699 8.2316 8.2316 9.0161 9.0161 9.1666 9.1666 9.2365 9.2365 9.2475 9.2475 k = 0.0370 0.0642-0.0000 ( 29677 PWs) bands (ev): -14.9653 -14.9653 -14.9563 -14.9563 -7.9825 -7.9825 -7.2781 -7.2781 -7.2253 -7.2253 -7.2208 -7.2208 -6.9402 -6.9402 -6.9366 -6.9366 -3.8022 -3.8022 -3.7404 -3.7404 -2.4352 -2.4352 -2.4256 -2.4256 -2.3077 -2.3077 -2.3065 -2.3065 -0.1410 -0.1410 0.4906 0.4906 0.8381 0.8381 1.5254 1.5254 1.5599 1.5599 1.9452 1.9452 1.9803 1.9803 2.3334 2.3334 2.4576 2.4576 2.5200 2.5200 2.5790 2.5790 2.6558 2.6558 3.0076 3.0076 3.2232 3.2232 3.4935 3.4935 3.6194 3.6194 4.0103 4.0103 4.0176 4.0176 4.2918 4.2918 4.2964 4.2964 4.3084 4.3084 4.3673 4.3673 4.3912 4.3912 4.4471 4.4471 5.0090 5.0090 5.1383 5.1383 5.6305 5.6305 5.8386 5.8386 7.8665 7.8665 8.1928 8.1928 8.9879 8.9879 9.1498 9.1498 9.1954 9.1954 9.2106 9.2106 k = 0.0247 0.0428-0.0000 ( 29673 PWs) bands (ev): -14.9653 -14.9653 -14.9563 -14.9563 -7.9838 -7.9838 -7.2795 -7.2795 -7.2227 -7.2227 -7.2202 -7.2202 -6.9386 -6.9386 -6.9368 -6.9368 -3.8034 -3.8034 -3.7407 -3.7407 -2.4366 -2.4366 -2.4283 -2.4283 -2.3078 -2.3078 -2.3073 -2.3073 -0.1499 -0.1499 0.4924 0.4924 0.8312 0.8312 1.5269 1.5269 1.5607 1.5607 1.9464 1.9464 1.9793 1.9793 2.3370 2.3370 2.4592 2.4592 2.5183 2.5183 2.5784 2.5784 2.6598 2.6598 3.0112 3.0112 3.2332 3.2332 3.5068 3.5068 3.6177 3.6177 4.0104 4.0104 4.0175 4.0175 4.2987 4.2987 4.3042 4.3042 4.3082 4.3082 4.3829 4.3829 4.3922 4.3922 4.4416 4.4416 5.0075 5.0075 5.1378 5.1378 5.6394 5.6394 5.8494 5.8494 7.8641 7.8641 8.1645 8.1645 8.9671 8.9671 9.1375 9.1375 9.1647 9.1647 9.1852 9.1852 k = 0.0123 0.0214-0.0000 ( 29649 PWs) bands (ev): -14.9654 -14.9654 -14.9563 -14.9563 -7.9845 -7.9845 -7.2803 -7.2803 -7.2213 -7.2213 -7.2195 -7.2195 -6.9379 -6.9379 -6.9367 -6.9367 -3.8041 -3.8041 -3.7409 -3.7409 -2.4374 -2.4374 -2.4299 -2.4299 -2.3083 -2.3083 -2.3074 -2.3074 -0.1553 -0.1553 0.4936 0.4936 0.8270 0.8270 1.5279 1.5279 1.5612 1.5612 1.9473 1.9473 1.9785 1.9785 2.3390 2.3390 2.4602 2.4602 2.5172 2.5172 2.5780 2.5780 2.6621 2.6621 3.0133 3.0133 3.2391 3.2391 3.5150 3.5150 3.6167 3.6167 4.0104 4.0104 4.0175 4.0175 4.3011 4.3011 4.3080 4.3080 4.3099 4.3099 4.3889 4.3889 4.3992 4.3992 4.4364 4.4364 5.0066 5.0066 5.1374 5.1374 5.6444 5.6444 5.8564 5.8564 7.8626 7.8626 8.1473 8.1473 8.9544 8.9544 9.1306 9.1306 9.1447 9.1447 9.1707 9.1707 k = 0.0000 0.0000 0.0000 ( 29687 PWs) bands (ev): -14.9654 -14.9654 -14.9563 -14.9563 -7.9848 -7.9848 -7.2806 -7.2806 -7.2209 -7.2209 -7.2192 -7.2192 -6.9377 -6.9377 -6.9366 -6.9366 -3.8044 -3.8044 -3.7409 -3.7409 -2.4377 -2.4377 -2.4304 -2.4304 -2.3085 -2.3085 -2.3074 -2.3074 -0.1571 -0.1571 0.4940 0.4940 0.8256 0.8256 1.5282 1.5282 1.5614 1.5614 1.9476 1.9476 1.9783 1.9783 2.3397 2.3397 2.4606 2.4606 2.5168 2.5168 2.5779 2.5779 2.6629 2.6629 3.0140 3.0140 3.2411 3.2411 3.5177 3.5177 3.6163 3.6163 4.0104 4.0104 4.0175 4.0175 4.3016 4.3016 4.3081 4.3081 4.3118 4.3118 4.3895 4.3895 4.4041 4.4041 4.4337 4.4337 5.0062 5.0062 5.1373 5.1373 5.6461 5.6461 5.8588 5.8588 7.8621 7.8621 8.1415 8.1415 8.9502 8.9502 9.1291 9.1291 9.1370 9.1370 9.1661 9.1661 k = 0.0000 0.0000 0.0000 ( 29687 PWs) bands (ev): -14.9654 -14.9654 -14.9563 -14.9563 -7.9848 -7.9848 -7.2806 -7.2806 -7.2209 -7.2209 -7.2192 -7.2192 -6.9377 -6.9377 -6.9366 -6.9366 -3.8044 -3.8044 -3.7409 -3.7409 -2.4377 -2.4377 -2.4304 -2.4304 -2.3085 -2.3085 -2.3074 -2.3074 -0.1571 -0.1571 0.4940 0.4940 0.8256 0.8256 1.5282 1.5282 1.5614 1.5614 1.9476 1.9476 1.9783 1.9783 2.3397 2.3397 2.4606 2.4606 2.5168 2.5168 2.5779 2.5779 2.6629 2.6629 3.0140 3.0140 3.2411 3.2411 3.5177 3.5177 3.6163 3.6163 4.0104 4.0104 4.0175 4.0175 4.3016 4.3016 4.3081 4.3081 4.3118 4.3118 4.3895 4.3895 4.4041 4.4041 4.4337 4.4337 5.0062 5.0062 5.1373 5.1373 5.6461 5.6461 5.8588 5.8588 7.8621 7.8621 8.1415 8.1415 8.9502 8.9502 9.1291 9.1291 9.1370 9.1370 9.1661 9.1661 k = 0.0000 0.0000 0.0249 ( 29657 PWs) bands (ev): -14.9654 -14.9654 -14.9563 -14.9563 -7.9842 -7.9842 -7.2815 -7.2815 -7.2206 -7.2206 -7.2189 -7.2189 -6.9380 -6.9380 -6.9369 -6.9369 -3.8043 -3.8043 -3.7410 -3.7410 -2.4374 -2.4374 -2.4305 -2.4305 -2.3088 -2.3088 -2.3076 -2.3076 -0.1559 -0.1559 0.4902 0.4902 0.8311 0.8311 1.5249 1.5249 1.5637 1.5637 1.9321 1.9321 1.9942 1.9942 2.3387 2.3387 2.4440 2.4440 2.5309 2.5309 2.5788 2.5788 2.6651 2.6651 3.0165 3.0165 3.2389 3.2389 3.5186 3.5186 3.6173 3.6173 4.0108 4.0108 4.0185 4.0185 4.3014 4.3014 4.3078 4.3078 4.3089 4.3089 4.3885 4.3885 4.4047 4.4047 4.4335 4.4335 5.0073 5.0073 5.1381 5.1381 5.6451 5.6451 5.8577 5.8577 7.8566 7.8566 8.1460 8.1460 8.9522 8.9522 9.1372 9.1372 9.1381 9.1381 9.1672 9.1672 k = 0.0000 0.0000 0.0497 ( 29669 PWs) bands (ev): -14.9653 -14.9653 -14.9563 -14.9563 -7.9823 -7.9823 -7.2844 -7.2844 -7.2197 -7.2197 -7.2180 -7.2180 -6.9389 -6.9389 -6.9378 -6.9378 -3.8041 -3.8041 -3.7413 -3.7413 -2.4365 -2.4365 -2.4306 -2.4306 -2.3095 -2.3095 -2.3084 -2.3084 -0.1523 -0.1523 0.4798 0.4798 0.8466 0.8466 1.5169 1.5169 1.5687 1.5687 1.9082 1.9082 2.0199 2.0199 2.3361 2.3361 2.4122 2.4122 2.5553 2.5553 2.5815 2.5815 2.6717 2.6717 3.0238 3.0238 3.2323 3.2323 3.5213 3.5213 3.6204 3.6204 4.0120 4.0120 4.0216 4.0216 4.3003 4.3003 4.3007 4.3007 4.3070 4.3070 4.3857 4.3857 4.4063 4.4063 4.4330 4.4330 5.0106 5.0106 5.1406 5.1406 5.6423 5.6423 5.8543 5.8543 7.8408 7.8408 8.1595 8.1595 8.9584 8.9584 9.1414 9.1414 9.1602 9.1602 9.1708 9.1708 k = 0.0000 0.0000 0.0746 ( 29687 PWs) bands (ev): -14.9653 -14.9653 -14.9563 -14.9563 -7.9793 -7.9793 -7.2892 -7.2892 -7.2182 -7.2182 -7.2164 -7.2164 -6.9403 -6.9403 -6.9392 -6.9392 -3.8037 -3.8037 -3.7418 -3.7418 -2.4350 -2.4350 -2.4307 -2.4307 -2.3108 -2.3108 -2.3095 -2.3095 -0.1464 -0.1464 0.4644 0.4644 0.8704 0.8704 1.5067 1.5067 1.5739 1.5739 1.8841 1.8841 2.0467 2.0467 2.3321 2.3321 2.3760 2.3760 2.5791 2.5791 2.5855 2.5855 2.6828 2.6828 3.0358 3.0358 3.2211 3.2211 3.5257 3.5257 3.6254 3.6254 4.0140 4.0140 4.0266 4.0266 4.2861 4.2861 4.2996 4.2996 4.3058 4.3058 4.3814 4.3814 4.4090 4.4090 4.4321 4.4321 5.0159 5.0159 5.1446 5.1446 5.6375 5.6375 5.8486 5.8486 7.8163 7.8163 8.1813 8.1813 8.9687 8.9687 9.1469 9.1469 9.1757 9.1757 9.1964 9.1964 k = 0.0000 0.0000 0.0995 ( 29621 PWs) bands (ev): -14.9652 -14.9652 -14.9564 -14.9564 -7.9751 -7.9751 -7.2958 -7.2958 -7.2160 -7.2160 -7.2143 -7.2143 -6.9423 -6.9423 -6.9413 -6.9413 -3.8031 -3.8031 -3.7425 -3.7425 -2.4329 -2.4329 -2.4309 -2.4309 -2.3126 -2.3126 -2.3111 -2.3111 -0.1382 -0.1382 0.4461 0.4461 0.9003 0.9003 1.4956 1.4956 1.5781 1.5781 1.8609 1.8609 2.0736 2.0736 2.3275 2.3275 2.3377 2.3377 2.5903 2.5903 2.6000 2.6000 2.6983 2.6983 3.0526 3.0526 3.2054 3.2054 3.5319 3.5319 3.6324 3.6324 4.0167 4.0167 4.0333 4.0333 4.2669 4.2669 4.2980 4.2980 4.3043 4.3043 4.3758 4.3758 4.4123 4.4123 4.4308 4.4308 5.0233 5.0233 5.1502 5.1502 5.6310 5.6310 5.8407 5.8407 7.7853 7.7853 8.2104 8.2104 8.9833 8.9833 9.1544 9.1544 9.1834 9.1834 9.2397 9.2397 k = 0.0000 0.0000 0.1243 ( 29616 PWs) bands (ev): -14.9651 -14.9651 -14.9564 -14.9564 -7.9697 -7.9697 -7.3043 -7.3043 -7.2133 -7.2133 -7.2116 -7.2116 -6.9449 -6.9449 -6.9439 -6.9439 -3.8024 -3.8024 -3.7434 -3.7434 -2.4311 -2.4311 -2.4303 -2.4303 -2.3148 -2.3148 -2.3131 -2.3131 -0.1278 -0.1278 0.4266 0.4266 0.9348 0.9348 1.4842 1.4842 1.5806 1.5806 1.8392 1.8392 2.1000 2.1000 2.2983 2.2983 2.3230 2.3230 2.5953 2.5953 2.6172 2.6172 2.7181 2.7181 3.0739 3.0739 3.1850 3.1850 3.5398 3.5398 3.6413 3.6413 4.0201 4.0201 4.0415 4.0415 4.2436 4.2436 4.2959 4.2959 4.3025 4.3025 4.3693 4.3693 4.4163 4.4163 4.4292 4.4292 5.0326 5.0326 5.1573 5.1573 5.6227 5.6227 5.8308 5.8308 7.7503 7.7503 8.2455 8.2455 9.0023 9.0023 9.1641 9.1641 9.1932 9.1932 9.2847 9.2847 k = 0.0000 0.0000 0.1492 ( 29652 PWs) bands (ev): -14.9649 -14.9649 -14.9565 -14.9565 -7.9631 -7.9631 -7.3144 -7.3144 -7.2099 -7.2099 -7.2083 -7.2083 -6.9481 -6.9481 -6.9471 -6.9471 -3.8016 -3.8016 -3.7445 -3.7445 -2.4314 -2.4314 -2.4273 -2.4273 -2.3175 -2.3175 -2.3155 -2.3155 -0.1154 -0.1154 0.4070 0.4070 0.9724 0.9724 1.4728 1.4728 1.5812 1.5812 1.8191 1.8191 2.1258 2.1258 2.2582 2.2582 2.3191 2.3191 2.5999 2.5999 2.6302 2.6302 2.7422 2.7422 3.0994 3.0994 3.1597 3.1597 3.5495 3.5495 3.6519 3.6519 4.0241 4.0241 4.0507 4.0507 4.2173 4.2173 4.2933 4.2933 4.3007 4.3007 4.3619 4.3619 4.4204 4.4204 4.4273 4.4273 5.0438 5.0438 5.1656 5.1656 5.6128 5.6128 5.8188 5.8188 7.7134 7.7134 8.2849 8.2849 9.0259 9.0259 9.1756 9.1756 9.2049 9.2049 9.2993 9.2994 k = 0.0000 0.0000 0.1741 ( 29652 PWs) bands (ev): -14.9648 -14.9648 -14.9566 -14.9566 -7.9553 -7.9553 -7.3263 -7.3263 -7.2060 -7.2060 -7.2044 -7.2044 -6.9517 -6.9517 -6.9508 -6.9508 -3.8007 -3.8007 -3.7457 -3.7457 -2.4316 -2.4316 -2.4240 -2.4240 -2.3206 -2.3206 -2.3182 -2.3182 -0.1011 -0.1011 0.3880 0.3880 1.0122 1.0122 1.4617 1.4617 1.5798 1.5798 1.8009 1.8009 2.1508 2.1508 2.2179 2.2179 2.3163 2.3163 2.6037 2.6037 2.6389 2.6389 2.7704 2.7704 3.1291 3.1291 3.1294 3.1294 3.5609 3.5609 3.6639 3.6639 4.0286 4.0286 4.0605 4.0605 4.1894 4.1894 4.2902 4.2902 4.2988 4.2988 4.3538 4.3538 4.4247 4.4247 4.4250 4.4250 5.0566 5.0566 5.1752 5.1752 5.6015 5.6015 5.8049 5.8049 7.6767 7.6767 8.3266 8.3266 9.0539 9.0539 9.1883 9.1883 9.2185 9.2185 9.2195 9.2195 k = 0.0000 0.0000 0.1989 ( 29706 PWs) bands (ev): -14.9646 -14.9646 -14.9567 -14.9567 -7.9463 -7.9463 -7.3396 -7.3396 -7.2015 -7.2015 -7.2000 -7.2000 -6.9560 -6.9560 -6.9551 -6.9551 -3.7997 -3.7997 -3.7470 -3.7470 -2.4317 -2.4317 -2.4203 -2.4203 -2.3241 -2.3241 -2.3212 -2.3212 -0.0851 -0.0851 0.3703 0.3703 1.0537 1.0537 1.4511 1.4511 1.5763 1.5763 1.7847 1.7847 2.1749 2.1749 2.1777 2.1777 2.3151 2.3151 2.6064 2.6064 2.6430 2.6430 2.8025 2.8025 3.0942 3.0942 3.1626 3.1626 3.5740 3.5740 3.6772 3.6772 4.0334 4.0334 4.0701 4.0701 4.1615 4.1615 4.2866 4.2866 4.2971 4.2971 4.3452 4.3452 4.4225 4.4225 4.4287 4.4287 5.0709 5.0709 5.1857 5.1857 5.5888 5.5888 5.7891 5.7891 7.6417 7.6417 8.3687 8.3687 9.0854 9.0854 9.1434 9.1434 9.1457 9.1457 9.2053 9.2053 k = 0.0000 0.0000 0.2238 ( 29700 PWs) bands (ev): -14.9644 -14.9644 -14.9568 -14.9568 -7.9363 -7.9363 -7.3545 -7.3545 -7.1965 -7.1965 -7.1951 -7.1951 -6.9607 -6.9607 -6.9598 -6.9598 -3.7986 -3.7986 -3.7485 -3.7485 -2.4318 -2.4318 -2.4165 -2.4165 -2.3280 -2.3280 -2.3243 -2.3243 -0.0675 -0.0675 0.3542 0.3542 1.0961 1.0961 1.4411 1.4411 1.5708 1.5708 1.7706 1.7706 2.1378 2.1378 2.1980 2.1980 2.3155 2.3155 2.6078 2.6078 2.6426 2.6426 2.8382 2.8382 3.0542 3.0542 3.1996 3.1996 3.5887 3.5887 3.6912 3.6912 4.0383 4.0383 4.0774 4.0774 4.1365 4.1365 4.2825 4.2825 4.2955 4.2955 4.3361 4.3361 4.4197 4.4197 4.4322 4.4322 5.0865 5.0865 5.1971 5.1971 5.5749 5.5749 5.7717 5.7717 7.6098 7.6098 8.4087 8.4087 9.0701 9.0701 9.0745 9.0745 9.1292 9.1292 9.2218 9.2218 k = 0.0000 0.0000 0.2487 ( 29706 PWs) bands (ev): -14.9642 -14.9642 -14.9569 -14.9569 -7.9251 -7.9251 -7.3707 -7.3707 -7.1910 -7.1910 -7.1896 -7.1896 -6.9659 -6.9659 -6.9651 -6.9651 -3.7975 -3.7975 -3.7502 -3.7502 -2.4317 -2.4317 -2.4125 -2.4125 -2.3323 -2.3323 -2.3276 -2.3276 -0.0486 -0.0486 0.3398 0.3398 1.1393 1.1393 1.4319 1.4319 1.5636 1.5636 1.7589 1.7589 2.0984 2.0984 2.2203 2.2203 2.3176 2.3176 2.6077 2.6077 2.6375 2.6375 2.8771 2.8771 3.0099 3.0099 3.2399 3.2399 3.6052 3.6052 3.7053 3.7053 4.0432 4.0432 4.0762 4.0762 4.1210 4.1210 4.2779 4.2779 4.2942 4.2942 4.3269 4.3269 4.4166 4.4166 4.4350 4.4350 5.1033 5.1033 5.2090 5.2090 5.5600 5.5600 5.7527 5.7527 7.5821 7.5821 8.4443 8.4443 9.0087 9.0087 9.0121 9.0121 9.1699 9.1699 9.2397 9.2397 k = 0.0000 0.0000 0.2736 ( 29682 PWs) bands (ev): -14.9640 -14.9640 -14.9571 -14.9571 -7.9129 -7.9129 -7.3881 -7.3881 -7.1850 -7.1850 -7.1837 -7.1837 -6.9716 -6.9716 -6.9709 -6.9709 -3.7963 -3.7963 -3.7519 -3.7519 -2.4315 -2.4315 -2.4085 -2.4085 -2.3368 -2.3368 -2.3311 -2.3311 -0.0285 -0.0285 0.3271 0.3271 1.1828 1.1828 1.4235 1.4235 1.5548 1.5548 1.7497 1.7497 2.0599 2.0599 2.2418 2.2418 2.3216 2.3216 2.6061 2.6061 2.6276 2.6276 2.9189 2.9189 2.9619 2.9619 3.2831 3.2831 3.6232 3.6232 3.7187 3.7187 4.0477 4.0477 4.0615 4.0615 4.1206 4.1206 4.2727 4.2727 4.2931 4.2931 4.3178 4.3178 4.4132 4.4132 4.4368 4.4368 5.1210 5.1210 5.2212 5.2212 5.5444 5.5444 5.7323 5.7323 7.5595 7.5595 8.4733 8.4733 8.9532 8.9532 8.9572 8.9572 9.2161 9.2161 9.2585 9.2585 k = 0.0000 0.0000 0.2984 ( 29694 PWs) bands (ev): -14.9637 -14.9637 -14.9573 -14.9573 -7.8996 -7.8996 -7.4067 -7.4067 -7.1786 -7.1786 -7.1773 -7.1773 -6.9778 -6.9778 -6.9771 -6.9771 -3.7950 -3.7950 -3.7537 -3.7537 -2.4310 -2.4310 -2.4045 -2.4045 -2.3416 -2.3416 -2.3345 -2.3345 -0.0076 -0.0076 0.3161 0.3161 1.2264 1.2264 1.4160 1.4160 1.5446 1.5446 1.7432 1.7432 2.0223 2.0223 2.2626 2.2626 2.3272 2.3272 2.6029 2.6029 2.6125 2.6125 2.9114 2.9114 2.9629 2.9629 3.3288 3.3288 3.6429 3.6429 3.7305 3.7305 4.0421 4.0421 4.0516 4.0516 4.1270 4.1270 4.2668 4.2668 4.2924 4.2924 4.3092 4.3092 4.4095 4.4095 4.4373 4.4373 5.1395 5.1395 5.2335 5.2335 5.5281 5.5281 5.7107 5.7107 7.5428 7.5428 8.4931 8.4931 8.9057 8.9057 8.9105 8.9105 9.2656 9.2656 9.2777 9.2778 k = 0.0000 0.0000 0.3233 ( 29682 PWs) bands (ev): -14.9634 -14.9634 -14.9574 -14.9574 -7.8852 -7.8852 -7.4262 -7.4262 -7.1717 -7.1717 -7.1704 -7.1704 -6.9844 -6.9844 -6.9837 -6.9837 -3.7937 -3.7937 -3.7556 -3.7556 -2.4304 -2.4304 -2.4006 -2.4006 -2.3466 -2.3466 -2.3380 -2.3380 0.0139 0.0139 0.3066 0.3066 1.2700 1.2700 1.4096 1.4096 1.5335 1.5335 1.7396 1.7396 1.9857 1.9857 2.2829 2.2829 2.3344 2.3344 2.5917 2.5917 2.5982 2.5982 2.8600 2.8600 3.0089 3.0089 3.3767 3.3767 3.6640 3.6640 3.7393 3.7393 4.0243 4.0243 4.0545 4.0545 4.1341 4.1341 4.2604 4.2604 4.2920 4.2920 4.3015 4.3015 4.4055 4.4055 4.4364 4.4364 5.1586 5.1586 5.2456 5.2456 5.5114 5.5114 5.6879 5.6879 7.5324 7.5324 8.5018 8.5018 8.8668 8.8668 8.8726 8.8726 9.2964 9.2967 9.3170 9.3170 k = 0.0000 0.0000 0.3482 ( 29724 PWs) bands (ev): -14.9632 -14.9632 -14.9576 -14.9576 -7.8699 -7.8699 -7.4467 -7.4467 -7.1644 -7.1644 -7.1632 -7.1632 -6.9914 -6.9914 -6.9908 -6.9908 -3.7923 -3.7923 -3.7575 -3.7575 -2.4295 -2.4295 -2.3969 -2.3969 -2.3518 -2.3518 -2.3414 -2.3414 0.0358 0.0358 0.2985 0.2985 1.3132 1.3132 1.4042 1.4042 1.5217 1.5217 1.7391 1.7391 1.9503 1.9503 2.3029 2.3029 2.3430 2.3430 2.5641 2.5641 2.5920 2.5920 2.8097 2.8097 3.0563 3.0563 3.4264 3.4264 3.6866 3.6866 3.7438 3.7438 4.0104 4.0104 4.0561 4.0561 4.1400 4.1400 4.2532 4.2532 4.2921 4.2921 4.2953 4.2953 4.4013 4.4013 4.4338 4.4338 5.1783 5.1783 5.2573 5.2573 5.4944 5.4944 5.6641 5.6641 7.5290 7.5290 8.4974 8.4974 8.8373 8.8373 8.8441 8.8441 9.3136 9.3136 9.3419 9.3419 k = 0.0000 0.0000 0.3730 ( 29712 PWs) bands (ev): -14.9629 -14.9629 -14.9578 -14.9578 -7.8536 -7.8536 -7.4678 -7.4678 -7.1567 -7.1567 -7.1556 -7.1556 -6.9988 -6.9988 -6.9982 -6.9982 -3.7910 -3.7910 -3.7595 -3.7595 -2.4283 -2.4283 -2.3933 -2.3933 -2.3571 -2.3571 -2.3448 -2.3448 0.0579 0.0579 0.2914 0.2914 1.3559 1.3559 1.4000 1.4000 1.5094 1.5094 1.7422 1.7422 1.9161 1.9161 2.3225 2.3225 2.3529 2.3529 2.5287 2.5287 2.5844 2.5844 2.7627 2.7627 3.1046 3.1046 3.4775 3.4775 3.7106 3.7106 3.7428 3.7428 4.0013 4.0013 4.0561 4.0561 4.1436 4.1436 4.2454 4.2454 4.2912 4.2912 4.2928 4.2928 4.3967 4.3967 4.4294 4.4294 5.1985 5.1985 5.2685 5.2685 5.4775 5.4775 5.6394 5.6394 7.5328 7.5328 8.4787 8.4787 8.8175 8.8175 8.8254 8.8254 9.3280 9.3280 9.3556 9.3556 k = 0.0000 0.0000 0.3979 ( 29688 PWs) bands (ev): -14.9626 -14.9626 -14.9580 -14.9580 -7.8364 -7.8364 -7.4897 -7.4897 -7.1487 -7.1487 -7.1477 -7.1477 -7.0066 -7.0066 -7.0060 -7.0060 -3.7896 -3.7896 -3.7615 -3.7615 -2.4268 -2.4268 -2.3900 -2.3900 -2.3625 -2.3625 -2.3481 -2.3481 0.0798 0.0798 0.2851 0.2851 1.3968 1.3968 1.3978 1.3978 1.4970 1.4970 1.7493 1.7493 1.8832 1.8832 2.3421 2.3421 2.3638 2.3638 2.4849 2.4849 2.5755 2.5755 2.7206 2.7206 3.1533 3.1533 3.5295 3.5295 3.7356 3.7356 3.7358 3.7358 3.9971 3.9971 4.0540 4.0540 4.1443 4.1443 4.2369 4.2369 4.2897 4.2897 4.2941 4.2941 4.3918 4.3918 4.4231 4.4232 5.2191 5.2191 5.2790 5.2790 5.4607 5.4607 5.6141 5.6141 7.5442 7.5442 8.4455 8.4455 8.8081 8.8081 8.8168 8.8168 9.3378 9.3378 9.3643 9.3643 k = 0.0000 0.0000 0.4228 ( 29652 PWs) bands (ev): -14.9623 -14.9623 -14.9583 -14.9583 -7.8184 -7.8184 -7.5120 -7.5120 -7.1404 -7.1404 -7.1394 -7.1394 -7.0147 -7.0147 -7.0141 -7.0141 -3.7881 -3.7881 -3.7635 -3.7635 -2.4250 -2.4250 -2.3868 -2.3868 -2.3679 -2.3679 -2.3512 -2.3512 0.1012 0.1012 0.2792 0.2792 1.3949 1.3949 1.4384 1.4384 1.4846 1.4846 1.7610 1.7610 1.8516 1.8516 2.3616 2.3616 2.3757 2.3757 2.4335 2.4335 2.5654 2.5654 2.6839 2.6839 3.2021 3.2021 3.5819 3.5819 3.7223 3.7223 3.7620 3.7620 3.9969 3.9969 4.0493 4.0493 4.1423 4.1423 4.2277 4.2277 4.2908 4.2908 4.2960 4.2960 4.3865 4.3865 4.4151 4.4151 5.2402 5.2402 5.2888 5.2888 5.4443 5.4443 5.5881 5.5881 7.5633 7.5633 8.3986 8.3986 8.8090 8.8090 8.8183 8.8183 9.3406 9.3406 9.3653 9.3653 k = 0.0000 0.0000 0.4476 ( 29646 PWs) bands (ev): -14.9620 -14.9620 -14.9585 -14.9585 -7.7995 -7.7995 -7.5347 -7.5347 -7.1318 -7.1318 -7.1309 -7.1309 -7.0230 -7.0230 -7.0224 -7.0224 -3.7866 -3.7866 -3.7655 -3.7655 -2.4229 -2.4229 -2.3839 -2.3839 -2.3733 -2.3733 -2.3542 -2.3542 0.1221 0.1221 0.2734 0.2734 1.3941 1.3941 1.4725 1.4725 1.4773 1.4773 1.7778 1.7778 1.8214 1.8214 2.3761 2.3761 2.3812 2.3812 2.3884 2.3884 2.5543 2.5543 2.6518 2.6518 3.2505 3.2505 3.6340 3.6340 3.7035 3.7035 3.7890 3.7890 3.9990 3.9990 4.0416 4.0416 4.1382 4.1382 4.2178 4.2178 4.2945 4.2945 4.2988 4.2988 4.3809 4.3809 4.4054 4.4054 5.2618 5.2618 5.2980 5.2980 5.4284 5.4284 5.5618 5.5618 7.5901 7.5901 8.3401 8.3401 8.8204 8.8204 8.8298 8.8298 9.3340 9.3340 9.3559 9.3559 k = 0.0000 0.0000 0.4725 ( 29664 PWs) bands (ev): -14.9617 -14.9617 -14.9587 -14.9587 -7.7799 -7.7799 -7.5576 -7.5576 -7.1231 -7.1231 -7.1222 -7.1222 -7.0316 -7.0316 -7.0310 -7.0310 -3.7851 -3.7851 -3.7675 -3.7675 -2.4204 -2.4204 -2.3811 -2.3811 -2.3786 -2.3786 -2.3570 -2.3570 0.1421 0.1421 0.2673 0.2673 1.3946 1.3946 1.4609 1.4609 1.5139 1.5139 1.7924 1.7924 1.8006 1.8006 2.3149 2.3149 2.4010 2.4010 2.4017 2.4017 2.5423 2.5423 2.6231 2.6231 3.2982 3.2982 3.6801 3.6801 3.6855 3.6855 3.8166 3.8166 4.0012 4.0012 4.0304 4.0304 4.1335 4.1335 4.2073 4.2073 4.3000 4.3000 4.3024 4.3024 4.3749 4.3749 4.3945 4.3945 5.2840 5.2840 5.3068 5.3068 5.4132 5.4132 5.5353 5.5353 7.6245 7.6245 8.2729 8.2729 8.8420 8.8420 8.8511 8.8511 9.3156 9.3156 9.3340 9.3340 k = 0.0000 0.0000 0.4974 ( 29676 PWs) bands (ev): -14.9614 -14.9614 -14.9590 -14.9590 -7.7596 -7.7596 -7.5808 -7.5808 -7.1141 -7.1141 -7.1133 -7.1133 -7.0404 -7.0404 -7.0399 -7.0399 -3.7836 -3.7836 -3.7694 -3.7694 -2.4176 -2.4176 -2.3839 -2.3839 -2.3786 -2.3786 -2.3597 -2.3597 0.1609 0.1609 0.2606 0.2606 1.3962 1.3962 1.4499 1.4499 1.5479 1.5479 1.7645 1.7645 1.8299 1.8299 2.2519 2.2519 2.4155 2.4155 2.4210 2.4210 2.5295 2.5295 2.5968 2.5968 3.3448 3.3448 3.6529 3.6529 3.7355 3.7355 3.8444 3.8444 4.0007 4.0007 4.0153 4.0153 4.1301 4.1301 4.1962 4.1962 4.3069 4.3069 4.3070 4.3070 4.3685 4.3685 4.3827 4.3827 5.3067 5.3067 5.3152 5.3152 5.3989 5.3989 5.5086 5.5086 7.6665 7.6665 8.2000 8.2000 8.8732 8.8732 8.8816 8.8816 9.2846 9.2846 9.2988 9.2988 k = 0.0000 0.0000 0.5222 ( 29706 PWs) bands (ev): -14.9611 -14.9611 -14.9593 -14.9593 -7.7387 -7.7387 -7.6039 -7.6039 -7.1049 -7.1049 -7.1042 -7.1042 -7.0494 -7.0494 -7.0489 -7.0489 -3.7820 -3.7820 -3.7714 -3.7714 -2.4144 -2.4144 -2.3889 -2.3889 -2.3761 -2.3761 -2.3622 -2.3622 0.1785 0.1785 0.2530 0.2530 1.3990 1.3990 1.4397 1.4397 1.5791 1.5791 1.7377 1.7377 1.8658 1.8658 2.1886 2.1886 2.4297 2.4297 2.4412 2.4412 2.5161 2.5161 2.5722 2.5722 3.3900 3.3900 3.6225 3.6225 3.7835 3.7835 3.8720 3.8720 3.9956 3.9956 3.9957 3.9957 4.1299 4.1299 4.1847 4.1847 4.3127 4.3127 4.3146 4.3146 4.3617 4.3617 4.3706 4.3706 5.3236 5.3236 5.3301 5.3301 5.3854 5.3854 5.4820 5.4820 7.7157 7.7157 8.1242 8.1242 8.9134 8.9134 8.9206 8.9206 9.2420 9.2420 9.2518 9.2518 k = 0.0000 0.0000 0.5471 ( 29718 PWs) bands (ev): -14.9608 -14.9608 -14.9596 -14.9596 -7.7172 -7.7172 -7.6271 -7.6271 -7.0957 -7.0957 -7.0950 -7.0950 -7.0586 -7.0586 -7.0580 -7.0580 -3.7803 -3.7803 -3.7733 -3.7733 -2.4109 -2.4109 -2.3938 -2.3938 -2.3738 -2.3738 -2.3647 -2.3647 0.1947 0.1947 0.2442 0.2442 1.4030 1.4030 1.4303 1.4303 1.6080 1.6080 1.7117 1.7117 1.9080 1.9080 2.1263 2.1263 2.4442 2.4442 2.4618 2.4618 2.5022 2.5022 2.5488 2.5488 3.4337 3.4337 3.5893 3.5893 3.8288 3.8288 3.8989 3.8989 3.9715 3.9715 3.9847 3.9847 4.1336 4.1336 4.1729 4.1729 4.3195 4.3195 4.3228 4.3228 4.3546 4.3546 4.3586 4.3586 5.3323 5.3323 5.3540 5.3540 5.3730 5.3730 5.4556 5.4556 7.7716 7.7716 8.0478 8.0478 8.9613 8.9613 8.9670 8.9670 9.1906 9.1906 9.1962 9.1962 k = 0.0000 0.0000 0.5720 ( 29724 PWs) bands (ev): -14.9604 -14.9604 -14.9598 -14.9598 -7.6952 -7.6952 -7.6501 -7.6501 -7.0864 -7.0864 -7.0857 -7.0857 -7.0678 -7.0678 -7.0672 -7.0672 -3.7786 -3.7786 -3.7751 -3.7751 -2.4071 -2.4071 -2.3985 -2.3985 -2.3715 -2.3715 -2.3670 -2.3670 0.2094 0.2094 0.2341 0.2341 1.4082 1.4082 1.4219 1.4219 1.6350 1.6350 1.6862 1.6862 1.9561 1.9561 2.0661 2.0661 2.4588 2.4588 2.4828 2.4828 2.4879 2.4879 2.5262 2.5262 3.4757 3.4757 3.5536 3.5536 3.8708 3.8708 3.9245 3.9245 3.9425 3.9425 3.9685 3.9685 4.1408 4.1408 4.1613 4.1613 4.3276 4.3276 4.3310 4.3310 4.3470 4.3470 4.3473 4.3473 5.3413 5.3413 5.3615 5.3615 5.3786 5.3786 5.4295 5.4295 7.8337 7.8337 7.9729 7.9729 9.0157 9.0157 9.0194 9.0194 9.1340 9.1340 9.1359 9.1359 k = 0.0000 0.0000 0.5968 ( 29712 PWs) bands (ev): -14.9601 -14.9601 -14.9601 -14.9601 -7.6728 -7.6728 -7.6728 -7.6728 -7.0771 -7.0771 -7.0771 -7.0771 -7.0765 -7.0765 -7.0765 -7.0765 -3.7769 -3.7769 -3.7769 -3.7769 -2.4029 -2.4029 -2.4029 -2.4029 -2.3693 -2.3693 -2.3693 -2.3693 0.2226 0.2226 0.2226 0.2226 1.4145 1.4145 1.4145 1.4145 1.6608 1.6608 1.6608 1.6608 2.0091 2.0091 2.0091 2.0091 2.4734 2.4734 2.4734 2.4734 2.5042 2.5042 2.5042 2.5042 3.5157 3.5157 3.5157 3.5157 3.9088 3.9088 3.9088 3.9088 3.9480 3.9480 3.9480 3.9480 4.1504 4.1504 4.1504 4.1504 4.3369 4.3369 4.3369 4.3369 4.3391 4.3391 4.3391 4.3391 5.3510 5.3510 5.3510 5.3510 5.4038 5.4038 5.4038 5.4038 7.9011 7.9011 7.9011 7.9011 9.0747 9.0747 9.0747 9.0747 9.0759 9.0759 9.0759 9.0759 k = 0.0000 0.0000 0.5968 ( 29712 PWs) bands (ev): -14.9601 -14.9601 -14.9601 -14.9601 -7.6728 -7.6728 -7.6728 -7.6728 -7.0771 -7.0771 -7.0771 -7.0771 -7.0765 -7.0765 -7.0765 -7.0765 -3.7769 -3.7769 -3.7769 -3.7769 -2.4029 -2.4029 -2.4029 -2.4029 -2.3693 -2.3693 -2.3693 -2.3693 0.2226 0.2226 0.2226 0.2226 1.4145 1.4145 1.4145 1.4145 1.6608 1.6608 1.6608 1.6608 2.0091 2.0091 2.0091 2.0091 2.4734 2.4734 2.4734 2.4734 2.5042 2.5042 2.5042 2.5042 3.5157 3.5157 3.5157 3.5157 3.9088 3.9088 3.9088 3.9088 3.9480 3.9480 3.9480 3.9480 4.1504 4.1504 4.1504 4.1504 4.3369 4.3369 4.3369 4.3369 4.3391 4.3391 4.3391 4.3391 5.3510 5.3510 5.3510 5.3510 5.4038 5.4038 5.4038 5.4038 7.9011 7.9011 7.9011 7.9011 9.0747 9.0747 9.0747 9.0747 9.0759 9.0759 9.0759 9.0759 k = 0.0217 0.0126 0.5968 ( 29738 PWs) bands (ev): -14.9601 -14.9601 -14.9601 -14.9601 -7.6725 -7.6725 -7.6725 -7.6725 -7.0775 -7.0775 -7.0775 -7.0775 -7.0767 -7.0767 -7.0767 -7.0767 -3.7767 -3.7767 -3.7767 -3.7767 -2.4025 -2.4025 -2.4025 -2.4025 -2.3690 -2.3690 -2.3690 -2.3690 0.2239 0.2239 0.2239 0.2239 1.4140 1.4140 1.4140 1.4140 1.6604 1.6604 1.6604 1.6604 2.0095 2.0095 2.0095 2.0095 2.4729 2.4729 2.4729 2.4729 2.5041 2.5041 2.5041 2.5041 3.5139 3.5139 3.5139 3.5139 3.9078 3.9078 3.9078 3.9078 3.9454 3.9454 3.9454 3.9454 4.1508 4.1508 4.1508 4.1508 4.3349 4.3349 4.3349 4.3349 4.3414 4.3414 4.3414 4.3414 5.3499 5.3499 5.3499 5.3499 5.4025 5.4025 5.4025 5.4025 7.9042 7.9042 7.9042 7.9042 9.0768 9.0768 9.0768 9.0768 9.0800 9.0800 9.0800 9.0800 k = 0.0435 0.0251 0.5968 ( 29762 PWs) bands (ev): -14.9601 -14.9601 -14.9601 -14.9601 -7.6715 -7.6715 -7.6715 -7.6715 -7.0791 -7.0791 -7.0791 -7.0791 -7.0769 -7.0769 -7.0769 -7.0769 -3.7760 -3.7760 -3.7760 -3.7760 -2.4012 -2.4012 -2.4012 -2.4012 -2.3682 -2.3682 -2.3682 -2.3682 0.2279 0.2279 0.2279 0.2279 1.4125 1.4125 1.4125 1.4125 1.6590 1.6590 1.6590 1.6590 2.0106 2.0106 2.0106 2.0106 2.4713 2.4713 2.4713 2.4713 2.5038 2.5038 2.5038 2.5038 3.5086 3.5086 3.5086 3.5086 3.9047 3.9047 3.9047 3.9047 3.9379 3.9379 3.9379 3.9379 4.1519 4.1519 4.1519 4.1519 4.3320 4.3320 4.3320 4.3320 4.3451 4.3451 4.3451 4.3451 5.3463 5.3463 5.3463 5.3463 5.3991 5.3991 5.3991 5.3991 7.9134 7.9134 7.9135 7.9135 9.0833 9.0833 9.0833 9.0833 9.0916 9.0916 9.0916 9.0916 k = 0.0652 0.0377 0.5968 ( 29762 PWs) bands (ev): -14.9601 -14.9601 -14.9601 -14.9601 -7.6698 -7.6698 -7.6698 -7.6698 -7.0820 -7.0820 -7.0820 -7.0820 -7.0771 -7.0771 -7.0771 -7.0771 -3.7750 -3.7750 -3.7750 -3.7750 -2.3990 -2.3990 -2.3990 -2.3990 -2.3669 -2.3669 -2.3669 -2.3669 0.2346 0.2346 0.2346 0.2346 1.4099 1.4099 1.4099 1.4099 1.6569 1.6569 1.6569 1.6569 2.0124 2.0124 2.0124 2.0124 2.4687 2.4687 2.4687 2.4687 2.5033 2.5033 2.5033 2.5033 3.4997 3.4997 3.4997 3.4997 3.8988 3.8988 3.8988 3.8988 3.9266 3.9266 3.9266 3.9266 4.1537 4.1537 4.1537 4.1537 4.3286 4.3286 4.3286 4.3286 4.3496 4.3496 4.3496 4.3496 5.3397 5.3397 5.3397 5.3397 5.3941 5.3941 5.3941 5.3941 7.9287 7.9287 7.9287 7.9287 9.0942 9.0942 9.0942 9.0942 9.1106 9.1106 9.1106 9.1106 k = 0.0870 0.0502 0.5968 ( 29758 PWs) bands (ev): -14.9601 -14.9601 -14.9601 -14.9601 -7.6675 -7.6675 -7.6675 -7.6675 -7.0859 -7.0859 -7.0859 -7.0859 -7.0773 -7.0773 -7.0773 -7.0773 -3.7735 -3.7735 -3.7735 -3.7735 -2.3961 -2.3961 -2.3961 -2.3961 -2.3651 -2.3651 -2.3651 -2.3651 0.2439 0.2439 0.2439 0.2439 1.4061 1.4061 1.4061 1.4061 1.6543 1.6543 1.6543 1.6543 2.0148 2.0148 2.0148 2.0148 2.4650 2.4650 2.4650 2.4650 2.5028 2.5028 2.5028 2.5028 3.4874 3.4874 3.4874 3.4874 3.8884 3.8884 3.8884 3.8884 3.9141 3.9141 3.9141 3.9141 4.1560 4.1560 4.1560 4.1560 4.3247 4.3247 4.3247 4.3247 4.3549 4.3549 4.3549 4.3549 5.3294 5.3294 5.3294 5.3294 5.3888 5.3888 5.3888 5.3888 7.9499 7.9499 7.9499 7.9499 9.1092 9.1092 9.1092 9.1092 9.1366 9.1366 9.1366 9.1366 k = 0.1087 0.0628 0.5968 ( 29754 PWs) bands (ev): -14.9601 -14.9601 -14.9601 -14.9601 -7.6645 -7.6645 -7.6645 -7.6645 -7.0909 -7.0909 -7.0909 -7.0909 -7.0776 -7.0776 -7.0776 -7.0776 -3.7717 -3.7717 -3.7717 -3.7717 -2.3924 -2.3924 -2.3924 -2.3924 -2.3627 -2.3627 -2.3627 -2.3627 0.2556 0.2556 0.2556 0.2556 1.4012 1.4012 1.4012 1.4012 1.6515 1.6515 1.6515 1.6515 2.0176 2.0176 2.0176 2.0176 2.4601 2.4601 2.4601 2.4601 2.5022 2.5022 2.5022 2.5022 3.4718 3.4718 3.4718 3.4718 3.8711 3.8711 3.8711 3.8711 3.9034 3.9034 3.9034 3.9034 4.1587 4.1587 4.1587 4.1587 4.3204 4.3204 4.3204 4.3204 4.3607 4.3607 4.3607 4.3607 5.3151 5.3151 5.3151 5.3151 5.3838 5.3838 5.3838 5.3838 7.9766 7.9766 7.9766 7.9766 9.1280 9.1280 9.1280 9.1280 9.1690 9.1690 9.1690 9.1690 k = 0.1304 0.0753 0.5968 ( 29750 PWs) bands (ev): -14.9601 -14.9601 -14.9601 -14.9601 -7.6610 -7.6610 -7.6610 -7.6610 -7.0968 -7.0968 -7.0968 -7.0968 -7.0780 -7.0780 -7.0780 -7.0780 -3.7696 -3.7696 -3.7696 -3.7696 -2.3882 -2.3882 -2.3882 -2.3882 -2.3599 -2.3599 -2.3598 -2.3598 0.2696 0.2696 0.2696 0.2696 1.3950 1.3950 1.3950 1.3950 1.6488 1.6488 1.6488 1.6488 2.0206 2.0206 2.0206 2.0206 2.4541 2.4541 2.4541 2.4541 2.5016 2.5016 2.5016 2.5016 3.4530 3.4530 3.4530 3.4530 3.8478 3.8478 3.8478 3.8478 3.8946 3.8946 3.8946 3.8946 4.1615 4.1615 4.1615 4.1615 4.3158 4.3158 4.3158 4.3158 4.3669 4.3669 4.3669 4.3669 5.2970 5.2970 5.2970 5.2970 5.3796 5.3796 5.3796 5.3796 8.0086 8.0086 8.0086 8.0086 9.1503 9.1503 9.1503 9.1503 9.2073 9.2073 9.2073 9.2073 k = 0.1522 0.0879 0.5968 ( 29752 PWs) bands (ev): -14.9601 -14.9601 -14.9601 -14.9601 -7.6569 -7.6569 -7.6569 -7.6569 -7.1037 -7.1037 -7.1037 -7.1037 -7.0784 -7.0784 -7.0784 -7.0784 -3.7671 -3.7671 -3.7671 -3.7671 -2.3836 -2.3836 -2.3836 -2.3836 -2.3564 -2.3564 -2.3564 -2.3564 0.2858 0.2858 0.2858 0.2858 1.3877 1.3877 1.3877 1.3877 1.6464 1.6464 1.6464 1.6464 2.0239 2.0239 2.0239 2.0239 2.4469 2.4469 2.4469 2.4469 2.5010 2.5010 2.5010 2.5010 3.4313 3.4313 3.4313 3.4313 3.8203 3.8203 3.8203 3.8203 3.8866 3.8866 3.8866 3.8866 4.1645 4.1645 4.1645 4.1645 4.3111 4.3111 4.3111 4.3111 4.3731 4.3731 4.3731 4.3731 5.2758 5.2758 5.2758 5.2758 5.3760 5.3760 5.3760 5.3760 8.0455 8.0455 8.0455 8.0455 9.1757 9.1757 9.1757 9.1757 9.2506 9.2506 9.2506 9.2506 k = 0.1739 0.1004 0.5968 ( 29744 PWs) bands (ev): -14.9600 -14.9600 -14.9600 -14.9600 -7.6522 -7.6522 -7.6522 -7.6522 -7.1113 -7.1113 -7.1113 -7.1113 -7.0788 -7.0788 -7.0788 -7.0788 -3.7645 -3.7645 -3.7645 -3.7645 -2.3788 -2.3788 -2.3788 -2.3788 -2.3523 -2.3523 -2.3523 -2.3523 0.3039 0.3039 0.3039 0.3039 1.3792 1.3792 1.3792 1.3792 1.6446 1.6446 1.6446 1.6446 2.0271 2.0271 2.0271 2.0271 2.4387 2.4387 2.4387 2.4387 2.5004 2.5004 2.5004 2.5004 3.4071 3.4071 3.4071 3.4071 3.7901 3.7901 3.7901 3.7901 3.8789 3.8789 3.8789 3.8789 4.1675 4.1675 4.1675 4.1675 4.3065 4.3065 4.3065 4.3065 4.3794 4.3794 4.3794 4.3794 5.2524 5.2524 5.2524 5.2524 5.3728 5.3728 5.3728 5.3728 8.0869 8.0869 8.0869 8.0869 9.2039 9.2039 9.2039 9.2039 9.2982 9.2982 9.2982 9.2982 k = 0.1957 0.1130 0.5968 ( 29744 PWs) bands (ev): -14.9600 -14.9600 -14.9600 -14.9600 -7.6471 -7.6471 -7.6471 -7.6471 -7.1196 -7.1196 -7.1196 -7.1196 -7.0793 -7.0793 -7.0793 -7.0793 -3.7616 -3.7616 -3.7616 -3.7616 -2.3738 -2.3738 -2.3738 -2.3738 -2.3477 -2.3477 -2.3477 -2.3477 0.3237 0.3237 0.3237 0.3237 1.3697 1.3697 1.3697 1.3697 1.6434 1.6434 1.6434 1.6434 2.0302 2.0302 2.0302 2.0302 2.4294 2.4294 2.4294 2.4294 2.4999 2.4999 2.4999 2.4999 3.3807 3.3807 3.3807 3.3807 3.7578 3.7578 3.7579 3.7579 3.8714 3.8714 3.8714 3.8714 4.1704 4.1704 4.1704 4.1704 4.3022 4.3022 4.3022 4.3022 4.3855 4.3855 4.3855 4.3855 5.2273 5.2273 5.2273 5.2273 5.3700 5.3700 5.3700 5.3700 8.1323 8.1323 8.1323 8.1323 9.2344 9.2344 9.2344 9.2344 9.3490 9.3490 9.3490 9.3490 k = 0.2174 0.1255 0.5968 ( 29730 PWs) bands (ev): -14.9600 -14.9600 -14.9600 -14.9600 -7.6415 -7.6415 -7.6415 -7.6415 -7.1285 -7.1285 -7.1285 -7.1285 -7.0798 -7.0798 -7.0798 -7.0798 -3.7586 -3.7586 -3.7586 -3.7586 -2.3690 -2.3690 -2.3689 -2.3689 -2.3424 -2.3424 -2.3424 -2.3424 0.3449 0.3449 0.3449 0.3449 1.3595 1.3595 1.3595 1.3595 1.6430 1.6430 1.6430 1.6430 2.0330 2.0330 2.0330 2.0330 2.4193 2.4193 2.4193 2.4193 2.4994 2.4994 2.4994 2.4994 3.3527 3.3527 3.3527 3.3527 3.7244 3.7244 3.7244 3.7244 3.8642 3.8642 3.8642 3.8642 4.1731 4.1731 4.1731 4.1731 4.2983 4.2983 4.2983 4.2983 4.3914 4.3914 4.3914 4.3914 5.2013 5.2013 5.2013 5.2013 5.3673 5.3673 5.3673 5.3673 8.1814 8.1814 8.1814 8.1814 9.2669 9.2669 9.2669 9.2669 9.4023 9.4023 9.4023 9.4023 k = 0.2391 0.1381 0.5968 ( 29722 PWs) bands (ev): -14.9600 -14.9600 -14.9600 -14.9600 -7.6356 -7.6356 -7.6356 -7.6356 -7.1379 -7.1379 -7.1379 -7.1379 -7.0803 -7.0803 -7.0803 -7.0803 -3.7556 -3.7556 -3.7556 -3.7556 -2.3643 -2.3643 -2.3643 -2.3643 -2.3366 -2.3366 -2.3366 -2.3366 0.3671 0.3671 0.3671 0.3671 1.3489 1.3489 1.3489 1.3489 1.6432 1.6432 1.6432 1.6432 2.0354 2.0354 2.0354 2.0354 2.4083 2.4083 2.4083 2.4083 2.4990 2.4990 2.4990 2.4990 3.3237 3.3237 3.3237 3.3237 3.6903 3.6903 3.6903 3.6903 3.8572 3.8572 3.8572 3.8572 4.1754 4.1754 4.1754 4.1754 4.2951 4.2951 4.2951 4.2951 4.3971 4.3971 4.3971 4.3971 5.1749 5.1749 5.1749 5.1749 5.3649 5.3649 5.3649 5.3649 8.2334 8.2334 8.2334 8.2334 9.3008 9.3008 9.3008 9.3008 9.4569 9.4569 9.4569 9.4569 k = 0.2609 0.1506 0.5968 ( 29722 PWs) bands (ev): -14.9599 -14.9599 -14.9599 -14.9599 -7.6294 -7.6294 -7.6294 -7.6294 -7.1475 -7.1475 -7.1475 -7.1475 -7.0808 -7.0808 -7.0808 -7.0808 -3.7525 -3.7525 -3.7525 -3.7525 -2.3599 -2.3599 -2.3599 -2.3599 -2.3304 -2.3304 -2.3304 -2.3304 0.3901 0.3901 0.3901 0.3901 1.3383 1.3383 1.3383 1.3383 1.6440 1.6440 1.6440 1.6440 2.0374 2.0374 2.0374 2.0374 2.3967 2.3967 2.3967 2.3967 2.4986 2.4986 2.4986 2.4986 3.2944 3.2944 3.2944 3.2944 3.6561 3.6561 3.6561 3.6561 3.8507 3.8507 3.8507 3.8507 4.1774 4.1774 4.1774 4.1774 4.2926 4.2926 4.2926 4.2926 4.4025 4.4025 4.4025 4.4025 5.1487 5.1487 5.1487 5.1487 5.3626 5.3626 5.3626 5.3626 8.2878 8.2878 8.2878 8.2878 9.3357 9.3357 9.3357 9.3357 9.5121 9.5121 9.5121 9.5121 k = 0.2826 0.1632 0.5968 ( 29736 PWs) bands (ev): -14.9599 -14.9599 -14.9599 -14.9599 -7.6231 -7.6231 -7.6231 -7.6231 -7.1573 -7.1573 -7.1573 -7.1573 -7.0813 -7.0813 -7.0813 -7.0813 -3.7494 -3.7494 -3.7494 -3.7494 -2.3558 -2.3558 -2.3558 -2.3558 -2.3240 -2.3240 -2.3240 -2.3240 0.4133 0.4133 0.4133 0.4133 1.3280 1.3280 1.3280 1.3280 1.6451 1.6451 1.6451 1.6451 2.0388 2.0388 2.0388 2.0388 2.3847 2.3847 2.3847 2.3847 2.4982 2.4982 2.4982 2.4982 3.2652 3.2652 3.2652 3.2652 3.6225 3.6225 3.6225 3.6225 3.8445 3.8445 3.8445 3.8445 4.1790 4.1790 4.1790 4.1790 4.2908 4.2908 4.2908 4.2908 4.4076 4.4076 4.4076 4.4076 5.1231 5.1231 5.1231 5.1231 5.3605 5.3605 5.3605 5.3605 8.3440 8.3440 8.3440 8.3440 9.3708 9.3708 9.3708 9.3708 9.5669 9.5669 9.5669 9.5669 k = 0.3043 0.1757 0.5968 ( 29710 PWs) bands (ev): -14.9599 -14.9599 -14.9599 -14.9599 -7.6166 -7.6166 -7.6166 -7.6166 -7.1671 -7.1671 -7.1671 -7.1671 -7.0818 -7.0818 -7.0818 -7.0818 -3.7465 -3.7465 -3.7465 -3.7465 -2.3521 -2.3521 -2.3521 -2.3521 -2.3175 -2.3175 -2.3175 -2.3175 0.4363 0.4363 0.4363 0.4363 1.3184 1.3184 1.3184 1.3184 1.6464 1.6464 1.6464 1.6464 2.0396 2.0396 2.0396 2.0396 2.3725 2.3725 2.3725 2.3725 2.4978 2.4978 2.4978 2.4978 3.2369 3.2369 3.2369 3.2369 3.5901 3.5901 3.5901 3.5901 3.8388 3.8388 3.8388 3.8388 4.1801 4.1801 4.1801 4.1801 4.2897 4.2897 4.2897 4.2897 4.4124 4.4124 4.4124 4.4124 5.0985 5.0985 5.0985 5.0985 5.3586 5.3586 5.3586 5.3586 8.4012 8.4012 8.4012 8.4012 9.4055 9.4055 9.4055 9.4056 9.6204 9.6204 9.6204 9.6204 k = 0.3261 0.1883 0.5968 ( 29688 PWs) bands (ev): -14.9599 -14.9599 -14.9599 -14.9599 -7.6102 -7.6102 -7.6102 -7.6102 -7.1766 -7.1766 -7.1766 -7.1766 -7.0823 -7.0823 -7.0823 -7.0823 -3.7436 -3.7436 -3.7436 -3.7436 -2.3486 -2.3486 -2.3486 -2.3486 -2.3111 -2.3111 -2.3111 -2.3111 0.4586 0.4586 0.4586 0.4586 1.3097 1.3097 1.3097 1.3097 1.6477 1.6477 1.6477 1.6477 2.0398 2.0398 2.0398 2.0398 2.3604 2.3604 2.3604 2.3604 2.4975 2.4975 2.4975 2.4975 3.2101 3.2101 3.2101 3.2101 3.5593 3.5593 3.5593 3.5593 3.8337 3.8337 3.8337 3.8337 4.1809 4.1809 4.1809 4.1809 4.2893 4.2893 4.2893 4.2893 4.4170 4.4170 4.4170 4.4170 5.0753 5.0753 5.0753 5.0753 5.3568 5.3568 5.3568 5.3568 8.4586 8.4586 8.4586 8.4586 9.4389 9.4389 9.4389 9.4389 9.6717 9.6717 9.6717 9.6717 k = 0.3478 0.2008 0.5968 ( 29678 PWs) bands (ev): -14.9598 -14.9598 -14.9598 -14.9598 -7.6040 -7.6040 -7.6040 -7.6040 -7.1857 -7.1857 -7.1857 -7.1857 -7.0827 -7.0827 -7.0827 -7.0827 -3.7410 -3.7410 -3.7410 -3.7410 -2.3455 -2.3455 -2.3455 -2.3455 -2.3051 -2.3051 -2.3050 -2.3050 0.4797 0.4797 0.4797 0.4797 1.3022 1.3022 1.3022 1.3022 1.6489 1.6489 1.6489 1.6489 2.0394 2.0394 2.0394 2.0394 2.3487 2.3487 2.3487 2.3487 2.4972 2.4972 2.4972 2.4972 3.1852 3.1852 3.1852 3.1852 3.5307 3.5307 3.5307 3.5307 3.8291 3.8291 3.8291 3.8291 4.1812 4.1812 4.1812 4.1812 4.2894 4.2894 4.2894 4.2894 4.4213 4.4213 4.4213 4.4213 5.0538 5.0538 5.0538 5.0538 5.3552 5.3552 5.3552 5.3552 8.5151 8.5151 8.5151 8.5151 9.4697 9.4697 9.4697 9.4697 9.7201 9.7201 9.7201 9.7201 k = 0.3696 0.2134 0.5968 ( 29666 PWs) bands (ev): -14.9598 -14.9598 -14.9598 -14.9598 -7.5982 -7.5982 -7.5982 -7.5982 -7.1943 -7.1943 -7.1943 -7.1943 -7.0831 -7.0831 -7.0831 -7.0831 -3.7387 -3.7387 -3.7387 -3.7387 -2.3428 -2.3428 -2.3428 -2.3428 -2.2994 -2.2994 -2.2994 -2.2994 0.4992 0.4992 0.4992 0.4992 1.2962 1.2962 1.2962 1.2962 1.6498 1.6498 1.6498 1.6498 2.0385 2.0385 2.0385 2.0385 2.3378 2.3378 2.3378 2.3378 2.4969 2.4969 2.4969 2.4969 3.1628 3.1628 3.1628 3.1628 3.5048 3.5048 3.5048 3.5048 3.8251 3.8251 3.8251 3.8251 4.1814 4.1814 4.1814 4.1814 4.2899 4.2899 4.2899 4.2899 4.4253 4.4253 4.4253 4.4253 5.0345 5.0345 5.0345 5.0345 5.3539 5.3539 5.3539 5.3539 8.5697 8.5697 8.5697 8.5697 9.4967 9.4967 9.4967 9.4967 9.7646 9.7646 9.7646 9.7646 k = 0.3913 0.2259 0.5968 ( 29660 PWs) bands (ev): -14.9598 -14.9598 -14.9598 -14.9598 -7.5928 -7.5928 -7.5928 -7.5928 -7.2020 -7.2020 -7.2020 -7.2020 -7.0835 -7.0835 -7.0835 -7.0835 -3.7366 -3.7366 -3.7366 -3.7366 -2.3404 -2.3404 -2.3404 -2.3404 -2.2944 -2.2944 -2.2944 -2.2944 0.5165 0.5165 0.5165 0.5165 1.2915 1.2915 1.2915 1.2915 1.6504 1.6504 1.6504 1.6504 2.0372 2.0372 2.0372 2.0372 2.3280 2.3280 2.3280 2.3280 2.4967 2.4967 2.4967 2.4967 3.1433 3.1433 3.1433 3.1433 3.4821 3.4821 3.4821 3.4821 3.8216 3.8216 3.8216 3.8216 4.1813 4.1813 4.1813 4.1813 4.2906 4.2906 4.2906 4.2906 4.4289 4.4289 4.4289 4.4289 5.0174 5.0174 5.0174 5.0174 5.3527 5.3527 5.3527 5.3527 8.6209 8.6209 8.6209 8.6209 9.5187 9.5187 9.5187 9.5187 9.8043 9.8043 9.8043 9.8043 k = 0.4130 0.2385 0.5968 ( 29668 PWs) bands (ev): -14.9598 -14.9598 -14.9598 -14.9598 -7.5881 -7.5881 -7.5881 -7.5881 -7.2086 -7.2086 -7.2086 -7.2086 -7.0838 -7.0838 -7.0838 -7.0838 -3.7348 -3.7348 -3.7348 -3.7348 -2.3384 -2.3384 -2.3384 -2.3384 -2.2902 -2.2902 -2.2902 -2.2902 0.5313 0.5313 0.5313 0.5313 1.2881 1.2881 1.2881 1.2881 1.6506 1.6506 1.6506 1.6506 2.0357 2.0357 2.0357 2.0357 2.3196 2.3196 2.3196 2.3196 2.4965 2.4965 2.4965 2.4965 3.1269 3.1269 3.1269 3.1269 3.4629 3.4629 3.4629 3.4629 3.8187 3.8187 3.8187 3.8187 4.1811 4.1811 4.1811 4.1811 4.2914 4.2914 4.2914 4.2914 4.4320 4.4320 4.4320 4.4320 5.0031 5.0031 5.0031 5.0031 5.3517 5.3517 5.3517 5.3517 8.6671 8.6671 8.6671 8.6671 9.5348 9.5348 9.5348 9.5348 9.8384 9.8384 9.8384 9.8384 k = 0.4348 0.2510 0.5968 ( 29680 PWs) bands (ev): -14.9598 -14.9598 -14.9598 -14.9598 -7.5842 -7.5842 -7.5842 -7.5842 -7.2140 -7.2140 -7.2140 -7.2140 -7.0840 -7.0840 -7.0840 -7.0840 -3.7335 -3.7335 -3.7335 -3.7335 -2.3369 -2.3369 -2.3369 -2.3369 -2.2868 -2.2868 -2.2867 -2.2867 0.5431 0.5431 0.5431 0.5431 1.2858 1.2858 1.2858 1.2858 1.6506 1.6506 1.6506 1.6506 2.0342 2.0342 2.0342 2.0342 2.3128 2.3128 2.3128 2.3128 2.4964 2.4964 2.4964 2.4964 3.1140 3.1140 3.1140 3.1140 3.4476 3.4476 3.4476 3.4476 3.8165 3.8165 3.8165 3.8165 4.1808 4.1808 4.1808 4.1808 4.2922 4.2922 4.2922 4.2922 4.4346 4.4346 4.4346 4.4346 4.9916 4.9916 4.9916 4.9916 5.3509 5.3509 5.3509 5.3509 8.7063 8.7063 8.7063 8.7063 9.5451 9.5451 9.5451 9.5451 9.8659 9.8659 9.8659 9.8659 k = 0.4565 0.2636 0.5968 ( 29662 PWs) bands (ev): -14.9598 -14.9598 -14.9598 -14.9598 -7.5814 -7.5814 -7.5814 -7.5814 -7.2181 -7.2181 -7.2181 -7.2181 -7.0842 -7.0842 -7.0842 -7.0842 -3.7324 -3.7324 -3.7324 -3.7324 -2.3358 -2.3358 -2.3358 -2.3358 -2.2842 -2.2842 -2.2842 -2.2842 0.5518 0.5518 0.5518 0.5518 1.2844 1.2844 1.2844 1.2844 1.6505 1.6505 1.6505 1.6505 2.0329 2.0329 2.0329 2.0329 2.3079 2.3079 2.3079 2.3079 2.4962 2.4962 2.4962 2.4962 3.1046 3.1046 3.1046 3.1046 3.4365 3.4365 3.4365 3.4365 3.8149 3.8149 3.8149 3.8149 4.1806 4.1806 4.1806 4.1806 4.2928 4.2928 4.2928 4.2928 4.4365 4.4365 4.4365 4.4365 4.9832 4.9832 4.9832 4.9832 5.3503 5.3503 5.3503 5.3503 8.7364 8.7364 8.7364 8.7364 9.5504 9.5504 9.5504 9.5504 9.8862 9.8862 9.8862 9.8862 k = 0.4783 0.2761 0.5968 ( 29670 PWs) bands (ev): -14.9598 -14.9598 -14.9598 -14.9598 -7.5796 -7.5796 -7.5796 -7.5796 -7.2205 -7.2205 -7.2205 -7.2205 -7.0843 -7.0843 -7.0843 -7.0843 -3.7318 -3.7318 -3.7318 -3.7318 -2.3351 -2.3351 -2.3351 -2.3351 -2.2827 -2.2827 -2.2827 -2.2827 0.5571 0.5571 0.5571 0.5571 1.2837 1.2837 1.2837 1.2837 1.6503 1.6503 1.6503 1.6503 2.0321 2.0321 2.0321 2.0321 2.3049 2.3049 2.3049 2.3049 2.4962 2.4962 2.4962 2.4962 3.0989 3.0989 3.0989 3.0989 3.4298 3.4298 3.4298 3.4298 3.8139 3.8139 3.8139 3.8139 4.1805 4.1805 4.1805 4.1805 4.2932 4.2932 4.2932 4.2932 4.4377 4.4377 4.4377 4.4377 4.9781 4.9781 4.9781 4.9781 5.3500 5.3500 5.3500 5.3500 8.7554 8.7554 8.7554 8.7554 9.5524 9.5524 9.5524 9.5524 9.8987 9.8987 9.8987 9.8987 k = 0.5000 0.2887 0.5968 ( 29688 PWs) bands (ev): -14.9598 -14.9598 -14.9598 -14.9598 -7.5790 -7.5790 -7.5790 -7.5790 -7.2214 -7.2214 -7.2214 -7.2214 -7.0843 -7.0843 -7.0843 -7.0843 -3.7316 -3.7316 -3.7316 -3.7316 -2.3348 -2.3348 -2.3348 -2.3348 -2.2822 -2.2822 -2.2822 -2.2822 0.5588 0.5588 0.5588 0.5588 1.2835 1.2835 1.2835 1.2835 1.6502 1.6502 1.6502 1.6502 2.0318 2.0318 2.0318 2.0318 2.3039 2.3039 2.3039 2.3039 2.4962 2.4962 2.4962 2.4962 3.0970 3.0970 3.0970 3.0970 3.4275 3.4275 3.4275 3.4275 3.8136 3.8136 3.8136 3.8136 4.1805 4.1805 4.1805 4.1805 4.2933 4.2933 4.2933 4.2933 4.4381 4.4381 4.4381 4.4381 4.9764 4.9764 4.9764 4.9764 5.3499 5.3499 5.3499 5.3499 8.7619 8.7619 8.7619 8.7619 9.5529 9.5529 9.5529 9.5529 9.9029 9.9029 9.9029 9.9029 k = 0.5000 0.2887 0.5968 ( 29688 PWs) bands (ev): -14.9598 -14.9598 -14.9598 -14.9598 -7.5790 -7.5790 -7.5790 -7.5790 -7.2214 -7.2214 -7.2214 -7.2214 -7.0843 -7.0843 -7.0843 -7.0843 -3.7316 -3.7316 -3.7316 -3.7316 -2.3348 -2.3348 -2.3348 -2.3348 -2.2822 -2.2822 -2.2822 -2.2822 0.5588 0.5588 0.5588 0.5588 1.2835 1.2835 1.2835 1.2835 1.6502 1.6502 1.6502 1.6502 2.0318 2.0318 2.0318 2.0318 2.3039 2.3039 2.3039 2.3039 2.4962 2.4962 2.4962 2.4962 3.0970 3.0970 3.0970 3.0970 3.4275 3.4275 3.4275 3.4275 3.8136 3.8136 3.8136 3.8136 4.1805 4.1805 4.1805 4.1805 4.2933 4.2933 4.2933 4.2933 4.4381 4.4381 4.4381 4.4381 4.9764 4.9764 4.9764 4.9764 5.3499 5.3499 5.3499 5.3499 8.7619 8.7619 8.7619 8.7619 9.5529 9.5529 9.5529 9.5529 9.9029 9.9029 9.9029 9.9029 k = 0.4881 0.3093 0.5968 ( 29672 PWs) bands (ev): -14.9598 -14.9598 -14.9598 -14.9598 -7.5788 -7.5788 -7.5787 -7.5787 -7.2218 -7.2218 -7.2217 -7.2217 -7.0842 -7.0842 -7.0842 -7.0842 -3.7316 -3.7316 -3.7315 -3.7315 -2.3346 -2.3346 -2.3346 -2.3346 -2.2826 -2.2826 -2.2819 -2.2819 0.5564 0.5564 0.5631 0.5631 1.2812 1.2812 1.2857 1.2857 1.6317 1.6317 1.6673 1.6673 2.0107 2.0107 2.0523 2.0523 2.2983 2.2983 2.3098 2.3098 2.4899 2.4899 2.5027 2.5027 3.0884 3.0884 3.1060 3.1060 3.4268 3.4268 3.4285 3.4285 3.8106 3.8106 3.8121 3.8121 4.1746 4.1746 4.1867 4.1867 4.2889 4.2889 4.2980 4.2980 4.4338 4.4338 4.4420 4.4420 4.9755 4.9755 4.9792 4.9792 5.3454 5.3454 5.3512 5.3512 8.7625 8.7625 8.7651 8.7651 9.5544 9.5544 9.5578 9.5578 9.9041 9.9041 9.9045 9.9045 k = 0.4762 0.3299 0.5968 ( 29654 PWs) bands (ev): -14.9598 -14.9598 -14.9598 -14.9598 -7.5783 -7.5783 -7.5780 -7.5780 -7.2231 -7.2231 -7.2228 -7.2228 -7.0839 -7.0839 -7.0838 -7.0838 -3.7315 -3.7315 -3.7312 -3.7312 -2.3339 -2.3339 -2.3338 -2.3338 -2.2831 -2.2831 -2.2818 -2.2818 0.5557 0.5557 0.5692 0.5692 1.2788 1.2788 1.2878 1.2878 1.6121 1.6121 1.6827 1.6827 1.9895 1.9895 2.0720 2.0720 2.2931 2.2931 2.3162 2.3162 2.4839 2.4839 2.5096 2.5096 3.0800 3.0800 3.1153 3.1153 3.4265 3.4265 3.4300 3.4300 3.8035 3.8035 3.8057 3.8057 4.1692 4.1692 4.1929 4.1929 4.2850 4.2850 4.3029 4.3029 4.4292 4.4292 4.4457 4.4457 4.9763 4.9763 4.9838 4.9838 5.3379 5.3379 5.3494 5.3494 8.7667 8.7667 8.7720 8.7720 9.5623 9.5623 9.5689 9.5689 9.9084 9.9084 9.9090 9.9090 k = 0.4643 0.3505 0.5968 ( 29666 PWs) bands (ev): -14.9598 -14.9598 -14.9598 -14.9598 -7.5773 -7.5773 -7.5769 -7.5769 -7.2251 -7.2251 -7.2246 -7.2246 -7.0834 -7.0834 -7.0833 -7.0833 -3.7313 -3.7313 -3.7308 -3.7308 -2.3327 -2.3327 -2.3326 -2.3326 -2.2837 -2.2837 -2.2818 -2.2818 0.5566 0.5566 0.5770 0.5770 1.2763 1.2763 1.2898 1.2898 1.5914 1.5914 1.6963 1.6963 1.9684 1.9684 2.0908 2.0908 2.2882 2.2882 2.3229 2.3229 2.4782 2.4782 2.5168 2.5168 3.0719 3.0719 3.1249 3.1249 3.4263 3.4263 3.4320 3.4320 3.7928 3.7928 3.7944 3.7944 4.1646 4.1646 4.1990 4.1990 4.2814 4.2814 4.3080 4.3080 4.4244 4.4244 4.4491 4.4491 4.9788 4.9788 4.9901 4.9901 5.3275 5.3275 5.3448 5.3448 8.7744 8.7744 8.7823 8.7823 9.5759 9.5759 9.5856 9.5856 9.9160 9.9160 9.9166 9.9166 k = 0.4524 0.3712 0.5968 ( 29678 PWs) bands (ev): -14.9598 -14.9598 -14.9597 -14.9597 -7.5760 -7.5760 -7.5754 -7.5754 -7.2278 -7.2278 -7.2271 -7.2271 -7.0827 -7.0827 -7.0826 -7.0826 -3.7310 -3.7310 -3.7303 -3.7303 -2.3310 -2.3310 -2.3310 -2.3310 -2.2844 -2.2844 -2.2819 -2.2819 0.5591 0.5591 0.5863 0.5863 1.2737 1.2738 1.2918 1.2918 1.5702 1.5702 1.7077 1.7077 1.9479 1.9479 2.1084 2.1084 2.2836 2.2836 2.3299 2.3299 2.4725 2.4725 2.5243 2.5243 3.0640 3.0640 3.1347 3.1347 3.4264 3.4264 3.4347 3.4347 3.7785 3.7785 3.7792 3.7792 4.1608 4.1608 4.2048 4.2048 4.2782 4.2782 4.3132 4.3132 4.4194 4.4194 4.4523 4.4523 4.9829 4.9829 4.9978 4.9978 5.3145 5.3145 5.3375 5.3375 8.7854 8.7854 8.7957 8.7957 9.5942 9.5942 9.6069 9.6069 9.9274 9.9274 9.9277 9.9277 k = 0.4405 0.3918 0.5968 ( 29674 PWs) bands (ev): -14.9597 -14.9597 -14.9597 -14.9597 -7.5744 -7.5744 -7.5736 -7.5736 -7.2310 -7.2310 -7.2301 -7.2301 -7.0820 -7.0820 -7.0818 -7.0818 -3.7306 -3.7306 -3.7298 -3.7298 -2.3290 -2.3290 -2.3290 -2.3290 -2.2853 -2.2853 -2.2820 -2.2820 0.5629 0.5629 0.5970 0.5970 1.2713 1.2713 1.2938 1.2938 1.5486 1.5486 1.7169 1.7169 1.9283 1.9283 2.1248 2.1248 2.2793 2.2793 2.3371 2.3371 2.4669 2.4669 2.5321 2.5321 3.0564 3.0564 3.1446 3.1446 3.4266 3.4266 3.4382 3.4382 3.7584 3.7584 3.7634 3.7634 4.1578 4.1578 4.2100 4.2100 4.2756 4.2756 4.3186 4.3186 4.4141 4.4141 4.4552 4.4552 4.9883 4.9883 5.0069 5.0069 5.2993 5.2993 5.3281 5.3281 8.7994 8.7994 8.8120 8.8120 9.6160 9.6160 9.6314 9.6314 9.9428 9.9428 9.9429 9.9429 k = 0.4286 0.4124 0.5968 ( 29666 PWs) bands (ev): -14.9597 -14.9597 -14.9597 -14.9597 -7.5725 -7.5725 -7.5715 -7.5715 -7.2345 -7.2345 -7.2335 -7.2335 -7.0812 -7.0812 -7.0809 -7.0809 -3.7301 -3.7301 -3.7292 -3.7292 -2.3267 -2.3267 -2.3266 -2.3266 -2.2862 -2.2862 -2.2823 -2.2823 0.5678 0.5678 0.6087 0.6087 1.2689 1.2689 1.2959 1.2959 1.5271 1.5271 1.7237 1.7237 1.9103 1.9103 2.1398 2.1398 2.2752 2.2752 2.3445 2.3445 2.4614 2.4614 2.5400 2.5400 3.0491 3.0491 3.1547 3.1547 3.4268 3.4268 3.4427 3.4427 3.7347 3.7347 3.7462 3.7462 4.1554 4.1554 4.2147 4.2147 4.2734 4.2734 4.3240 4.3240 4.4087 4.4087 4.4579 4.4579 4.9948 4.9948 5.0171 5.0171 5.2824 5.2824 5.3169 5.3169 8.8157 8.8157 8.8305 8.8305 9.6398 9.6398 9.6574 9.6574 9.9624 9.9624 9.9629 9.9629 k = 0.4167 0.4330 0.5968 ( 29678 PWs) bands (ev): -14.9597 -14.9597 -14.9597 -14.9597 -7.5704 -7.5704 -7.5693 -7.5693 -7.2383 -7.2383 -7.2372 -7.2372 -7.0804 -7.0804 -7.0801 -7.0801 -3.7295 -3.7295 -3.7285 -3.7285 -2.3243 -2.3243 -2.3239 -2.3239 -2.2873 -2.2873 -2.2827 -2.2827 0.5733 0.5733 0.6210 0.6210 1.2668 1.2668 1.2981 1.2981 1.5060 1.5060 1.7278 1.7278 1.8943 1.8943 2.1535 2.1535 2.2712 2.2712 2.3519 2.3519 2.4559 2.4559 2.5479 2.5479 3.0419 3.0419 3.1646 3.1646 3.4271 3.4271 3.4482 3.4482 3.7081 3.7081 3.7285 3.7285 4.1536 4.1536 4.2187 4.2187 4.2717 4.2717 4.3294 4.3294 4.4032 4.4032 4.4604 4.4604 5.0018 5.0018 5.0282 5.0282 5.2643 5.2643 5.3047 5.3047 8.8338 8.8338 8.8506 8.8506 9.6639 9.6639 9.6831 9.6831 9.9870 9.9870 9.9876 9.9876 k = 0.4048 0.4536 0.5968 ( 29678 PWs) bands (ev): -14.9597 -14.9597 -14.9597 -14.9597 -7.5682 -7.5682 -7.5670 -7.5670 -7.2421 -7.2421 -7.2408 -7.2408 -7.0796 -7.0796 -7.0793 -7.0793 -3.7290 -3.7290 -3.7278 -3.7278 -2.3217 -2.3217 -2.3210 -2.3210 -2.2885 -2.2885 -2.2831 -2.2831 0.5793 0.5793 0.6335 0.6335 1.2652 1.2652 1.3004 1.3004 1.4857 1.4857 1.7293 1.7293 1.8808 1.8808 2.1658 2.1658 2.2672 2.2672 2.3592 2.3592 2.4504 2.4504 2.5556 2.5556 3.0352 3.0352 3.1743 3.1743 3.4272 3.4272 3.4550 3.4550 3.6796 3.6796 3.7110 3.7110 4.1523 4.1523 4.2221 4.2221 4.2704 4.2704 4.3349 4.3349 4.3976 4.3976 4.4627 4.4627 5.0092 5.0092 5.0399 5.0399 5.2456 5.2456 5.2921 5.2921 8.8529 8.8529 8.8717 8.8717 9.6866 9.6866 9.7068 9.7068 10.0166 10.0166 10.0171 10.0171 k = 0.3929 0.4743 0.5968 ( 29682 PWs) bands (ev): -14.9597 -14.9597 -14.9597 -14.9597 -7.5661 -7.5661 -7.5647 -7.5647 -7.2458 -7.2458 -7.2444 -7.2444 -7.0789 -7.0789 -7.0786 -7.0786 -3.7284 -3.7284 -3.7272 -3.7272 -2.3192 -2.3192 -2.3180 -2.3180 -2.2898 -2.2898 -2.2836 -2.2836 0.5853 0.5853 0.6457 0.6457 1.2640 1.2640 1.3027 1.3027 1.4668 1.4668 1.7283 1.7283 1.8700 1.8700 2.1768 2.1768 2.2631 2.2631 2.3663 2.3663 2.4450 2.4450 2.5628 2.5628 3.0288 3.0288 3.1834 3.1834 3.4270 3.4270 3.4631 3.4631 3.6501 3.6501 3.6947 3.6947 4.1512 4.1512 4.2250 4.2250 4.2695 4.2695 4.3403 4.3403 4.3921 4.3921 4.4647 4.4647 5.0163 5.0163 5.0518 5.0518 5.2269 5.2269 5.2798 5.2798 8.8723 8.8723 8.8928 8.8928 9.7068 9.7068 9.7271 9.7271 10.0507 10.0507 10.0507 10.0507 k = 0.3810 0.4949 0.5968 ( 29682 PWs) bands (ev): -14.9597 -14.9597 -14.9597 -14.9597 -7.5640 -7.5640 -7.5626 -7.5626 -7.2493 -7.2493 -7.2477 -7.2477 -7.0784 -7.0784 -7.0781 -7.0781 -3.7279 -3.7279 -3.7266 -3.7266 -2.3168 -2.3168 -2.3151 -2.3151 -2.2911 -2.2911 -2.2840 -2.2840 0.5910 0.5910 0.6569 0.6569 1.2634 1.2634 1.3051 1.3051 1.4498 1.4498 1.7256 1.7256 1.8620 1.8620 2.1865 2.1865 2.2590 2.2590 2.3730 2.3730 2.4396 2.4396 2.5693 2.5693 3.0230 3.0230 3.1918 3.1918 3.4266 3.4266 3.4726 3.4726 3.6207 3.6207 3.6804 3.6804 4.1504 4.1504 4.2272 4.2272 4.2690 4.2690 4.3457 4.3457 4.3866 4.3866 4.4664 4.4664 5.0229 5.0229 5.0637 5.0637 5.2088 5.2088 5.2685 5.2685 8.8909 8.8909 8.9128 8.9128 9.7235 9.7235 9.7435 9.7435 10.0875 10.0875 10.0884 10.0884 k = 0.3690 0.5155 0.5968 ( 29710 PWs) bands (ev): -14.9597 -14.9597 -14.9597 -14.9597 -7.5622 -7.5622 -7.5607 -7.5607 -7.2522 -7.2522 -7.2506 -7.2506 -7.0779 -7.0779 -7.0776 -7.0776 -3.7274 -3.7274 -3.7261 -3.7261 -2.3147 -2.3147 -2.3123 -2.3123 -2.2925 -2.2925 -2.2844 -2.2844 0.5960 0.5960 0.6666 0.6666 1.2633 1.2633 1.3073 1.3073 1.4353 1.4353 1.7219 1.7219 1.8564 1.8564 2.1949 2.1949 2.2550 2.2550 2.3791 2.3791 2.4346 2.4346 2.5747 2.5747 3.0179 3.0179 3.1989 3.1989 3.4258 3.4258 3.4835 3.4835 3.5923 3.5923 3.6688 3.6688 4.1498 4.1498 4.2289 4.2289 4.2687 4.2687 4.3510 4.3510 4.3813 4.3813 4.4679 4.4679 5.0283 5.0283 5.0750 5.0750 5.1922 5.1922 5.2589 5.2589 8.9075 8.9075 8.9307 8.9307 9.7363 9.7363 9.7556 9.7556 10.1260 10.1260 10.1279 10.1279 k = 0.3571 0.5361 0.5968 ( 29686 PWs) bands (ev): -14.9597 -14.9597 -14.9597 -14.9597 -7.5608 -7.5608 -7.5592 -7.5592 -7.2545 -7.2545 -7.2528 -7.2528 -7.0776 -7.0776 -7.0773 -7.0773 -3.7271 -3.7271 -3.7256 -3.7256 -2.3131 -2.3131 -2.3100 -2.3100 -2.2937 -2.2937 -2.2847 -2.2847 0.6000 0.6000 0.6741 0.6741 1.2636 1.2636 1.3091 1.3091 1.4241 1.4241 1.7184 1.7184 1.8528 1.8528 2.2017 2.2017 2.2511 2.2511 2.3841 2.3841 2.4303 2.4303 2.5788 2.5788 3.0139 3.0139 3.2044 3.2044 3.4249 3.4249 3.4959 3.4959 3.5663 3.5663 3.6603 3.6603 4.1494 4.1494 4.2301 4.2301 4.2685 4.2685 4.3561 4.3561 4.3761 4.3761 4.4690 4.4690 5.0323 5.0323 5.0848 5.0848 5.1783 5.1783 5.2516 5.2516 8.9210 8.9210 8.9452 8.9452 9.7450 9.7450 9.7635 9.7635 10.1643 10.1643 10.1673 10.1673 k = 0.3452 0.5567 0.5968 ( 29682 PWs) bands (ev): -14.9597 -14.9597 -14.9597 -14.9597 -7.5599 -7.5599 -7.5582 -7.5582 -7.2560 -7.2560 -7.2542 -7.2542 -7.0774 -7.0774 -7.0771 -7.0771 -3.7268 -3.7268 -3.7254 -3.7254 -2.3121 -2.3121 -2.3083 -2.3083 -2.2945 -2.2945 -2.2849 -2.2849 0.6025 0.6025 0.6790 0.6790 1.2640 1.2640 1.3103 1.3103 1.4170 1.4170 1.7158 1.7158 1.8507 1.8507 2.2065 2.2065 2.2481 2.2481 2.3876 2.3876 2.4272 2.4272 2.5813 2.5813 3.0113 3.0113 3.2080 3.2080 3.4240 3.4240 3.5097 3.5097 3.5438 3.5438 3.6553 3.6553 4.1491 4.1491 4.2308 4.2308 4.2685 4.2685 4.3610 4.3610 4.3713 4.3713 4.4697 4.4697 5.0347 5.0347 5.0917 5.0917 5.1687 5.1687 5.2471 5.2471 8.9299 8.9299 8.9548 8.9548 9.7499 9.7499 9.7678 9.7678 10.1990 10.1990 10.2033 10.2033 k = 0.3333 0.5774 0.5968 ( 29712 PWs) bands (ev): -14.9597 -14.9597 -14.9597 -14.9597 -7.5595 -7.5595 -7.5579 -7.5579 -7.2565 -7.2565 -7.2547 -7.2547 -7.0774 -7.0774 -7.0770 -7.0770 -3.7267 -3.7267 -3.7253 -3.7253 -2.3117 -2.3117 -2.3077 -2.3077 -2.2949 -2.2949 -2.2849 -2.2849 0.6034 0.6034 0.6806 0.6806 1.2642 1.2642 1.3108 1.3108 1.4145 1.4145 1.7149 1.7149 1.8500 1.8500 2.2083 2.2083 2.2468 2.2468 2.3888 2.3888 2.4261 2.4261 2.5822 2.5822 3.0103 3.0103 3.2092 3.2092 3.4236 3.4236 3.5221 3.5221 3.5282 3.5282 3.6536 3.6536 4.1490 4.1490 4.2310 4.2310 4.2685 4.2685 4.3642 4.3642 4.3680 4.3680 4.4699 4.4699 5.0354 5.0354 5.0942 5.0942 5.1653 5.1653 5.2457 5.2457 8.9332 8.9332 8.9582 8.9582 9.7514 9.7514 9.7691 9.7691 10.2175 10.2175 10.2235 10.2235 k = 0.3333 0.5774 0.5968 ( 29712 PWs) bands (ev): -14.9597 -14.9597 -14.9597 -14.9597 -7.5595 -7.5595 -7.5579 -7.5579 -7.2565 -7.2565 -7.2547 -7.2547 -7.0774 -7.0774 -7.0770 -7.0770 -3.7267 -3.7267 -3.7253 -3.7253 -2.3117 -2.3117 -2.3077 -2.3077 -2.2949 -2.2949 -2.2849 -2.2849 0.6034 0.6034 0.6806 0.6806 1.2642 1.2642 1.3108 1.3108 1.4145 1.4145 1.7149 1.7149 1.8500 1.8500 2.2083 2.2083 2.2468 2.2468 2.3888 2.3888 2.4261 2.4261 2.5822 2.5822 3.0103 3.0103 3.2092 3.2092 3.4236 3.4236 3.5221 3.5221 3.5282 3.5282 3.6536 3.6536 4.1490 4.1490 4.2310 4.2310 4.2685 4.2685 4.3642 4.3642 4.3680 4.3680 4.4699 4.4699 5.0354 5.0354 5.0942 5.0942 5.1653 5.1653 5.2457 5.2457 8.9332 8.9332 8.9582 8.9582 9.7514 9.7514 9.7691 9.7691 10.2175 10.2175 10.2235 10.2235 k = 0.3210 0.5560 0.5968 ( 29676 PWs) bands (ev): -14.9597 -14.9597 -14.9597 -14.9597 -7.5599 -7.5599 -7.5583 -7.5583 -7.2559 -7.2559 -7.2541 -7.2541 -7.0774 -7.0774 -7.0771 -7.0771 -3.7268 -3.7268 -3.7254 -3.7254 -2.3121 -2.3121 -2.3084 -2.3084 -2.2946 -2.2946 -2.2849 -2.2849 0.6024 0.6024 0.6788 0.6788 1.2640 1.2640 1.3103 1.3103 1.4172 1.4172 1.7159 1.7159 1.8508 1.8508 2.2062 2.2062 2.2483 2.2483 2.3876 2.3876 2.4272 2.4272 2.5812 2.5813 3.0115 3.0115 3.2079 3.2079 3.4242 3.4242 3.5113 3.5113 3.5425 3.5425 3.6553 3.6553 4.1491 4.1491 4.2308 4.2308 4.2685 4.2685 4.3610 4.3610 4.3712 4.3712 4.4696 4.4696 5.0348 5.0348 5.0920 5.0920 5.1686 5.1686 5.2472 5.2472 8.9293 8.9293 8.9541 8.9541 9.7500 9.7500 9.7679 9.7679 10.1971 10.1971 10.2016 10.2016 k = 0.3086 0.5346 0.5968 ( 29658 PWs) bands (ev): -14.9597 -14.9597 -14.9597 -14.9597 -7.5611 -7.5611 -7.5596 -7.5596 -7.2541 -7.2541 -7.2524 -7.2524 -7.0776 -7.0776 -7.0773 -7.0773 -3.7272 -3.7272 -3.7257 -3.7257 -2.3131 -2.3131 -2.3100 -2.3100 -2.2940 -2.2940 -2.2850 -2.2850 0.5991 0.5991 0.6731 0.6731 1.2633 1.2633 1.3089 1.3089 1.4251 1.4251 1.7184 1.7184 1.8535 1.8535 2.2005 2.2005 2.2524 2.2524 2.3845 2.3845 2.4302 2.4302 2.5786 2.5786 3.0151 3.0151 3.2043 3.2043 3.4264 3.4264 3.5037 3.5037 3.5606 3.5606 3.6599 3.6599 4.1494 4.1494 4.2301 4.2301 4.2683 4.2683 4.3567 4.3567 4.3754 4.3754 4.4687 4.4687 5.0333 5.0333 5.0873 5.0873 5.1766 5.1766 5.2514 5.2514 8.9173 8.9173 8.9414 8.9414 9.7462 9.7462 9.7648 9.7648 10.1570 10.1570 10.1605 10.1605 k = 0.2963 0.5132 0.5968 ( 29662 PWs) bands (ev): -14.9597 -14.9597 -14.9597 -14.9597 -7.5632 -7.5632 -7.5617 -7.5617 -7.2510 -7.2510 -7.2493 -7.2493 -7.0778 -7.0778 -7.0775 -7.0775 -3.7277 -3.7277 -3.7263 -3.7263 -2.3148 -2.3148 -2.3122 -2.3122 -2.2936 -2.2936 -2.2854 -2.2854 0.5936 0.5936 0.6637 0.6637 1.2626 1.2626 1.3067 1.3067 1.4375 1.4375 1.7216 1.7216 1.8587 1.8587 2.1922 2.1922 2.2583 2.2583 2.3806 2.3806 2.4342 2.4342 2.5745 2.5745 3.0215 3.0215 3.1991 3.1991 3.4305 3.4305 3.5019 3.5019 3.5797 3.5797 3.6671 3.6671 4.1500 4.1500 4.2290 4.2290 4.2681 4.2681 4.3526 4.3526 4.3793 4.3793 4.4672 4.4672 5.0317 5.0317 5.0825 5.0825 5.1872 5.1872 5.2578 5.2578 8.8966 8.8966 8.9198 8.9198 9.7400 9.7400 9.7598 9.7598 10.1094 10.1094 10.1119 10.1119 k = 0.2840 0.4918 0.5968 ( 29680 PWs) bands (ev): -14.9597 -14.9597 -14.9597 -14.9597 -7.5661 -7.5661 -7.5647 -7.5647 -7.2466 -7.2466 -7.2451 -7.2451 -7.0781 -7.0781 -7.0778 -7.0778 -3.7285 -3.7285 -3.7272 -3.7272 -2.3170 -2.3170 -2.3149 -2.3149 -2.2936 -2.2936 -2.2862 -2.2862 0.5857 0.5857 0.6508 0.6508 1.2623 1.2623 1.3042 1.3042 1.4533 1.4533 1.7245 1.7245 1.8668 1.8668 2.1821 2.1821 2.2654 2.2654 2.3765 2.3765 2.4385 2.4385 2.5693 2.5693 3.0307 3.0307 3.1935 3.1935 3.4370 3.4370 3.5052 3.5052 3.5996 3.5996 3.6763 3.6763 4.1508 4.1508 4.2274 4.2274 4.2677 4.2677 4.3487 4.3487 4.3827 4.3827 4.4651 4.4651 5.0306 5.0306 5.0791 5.0791 5.1989 5.1989 5.2658 5.2658 8.8676 8.8676 8.8896 8.8896 9.7312 9.7312 9.7523 9.7523 10.0575 10.0575 10.0590 10.0590 k = 0.2716 0.4704 0.5968 ( 29696 PWs) bands (ev): -14.9597 -14.9597 -14.9597 -14.9597 -7.5698 -7.5698 -7.5685 -7.5685 -7.2410 -7.2410 -7.2396 -7.2396 -7.0784 -7.0784 -7.0781 -7.0781 -3.7296 -3.7296 -3.7284 -3.7284 -2.3196 -2.3196 -2.3180 -2.3180 -2.2942 -2.2942 -2.2875 -2.2875 0.5755 0.5755 0.6348 0.6348 1.2629 1.2629 1.3018 1.3018 1.4715 1.4715 1.7258 1.7258 1.8783 1.8783 2.1707 2.1707 2.2734 2.2734 2.3731 2.3731 2.4430 2.4430 2.5633 2.5633 3.0429 3.0429 3.1885 3.1885 3.4460 3.4460 3.5130 3.5130 3.6200 3.6200 3.6872 3.6872 4.1519 4.1519 4.2255 4.2255 4.2670 4.2670 4.3451 4.3451 4.3856 4.3856 4.4623 4.4623 5.0307 5.0307 5.0779 5.0779 5.2111 5.2111 5.2750 5.2750 8.8308 8.8308 8.8516 8.8516 9.7191 9.7191 9.7415 9.7415 10.0029 10.0029 10.0032 10.0032 k = 0.2593 0.4491 0.5968 ( 29716 PWs) bands (ev): -14.9597 -14.9597 -14.9597 -14.9597 -7.5743 -7.5743 -7.5731 -7.5731 -7.2343 -7.2343 -7.2331 -7.2331 -7.0788 -7.0788 -7.0785 -7.0785 -3.7309 -3.7309 -3.7298 -3.7298 -2.3225 -2.3225 -2.3213 -2.3213 -2.2955 -2.2955 -2.2894 -2.2894 0.5631 0.5631 0.6160 0.6160 1.2647 1.2647 1.2998 1.2998 1.4908 1.4908 1.7251 1.7251 1.8929 1.8929 2.1585 2.1585 2.2822 2.2822 2.3705 2.3705 2.4474 2.4474 2.5570 2.5570 3.0581 3.0581 3.1853 3.1853 3.4575 3.4575 3.5246 3.5246 3.6407 3.6407 3.6993 3.6993 4.1533 4.1533 4.2232 4.2232 4.2663 4.2663 4.3418 4.3418 4.3880 4.3880 4.4589 4.4589 5.0324 5.0324 5.0791 5.0791 5.2234 5.2234 5.2849 5.2849 8.7873 8.7873 8.8068 8.8068 9.7026 9.7026 9.7261 9.7261 9.9459 9.9459 9.9470 9.9470 k = 0.2469 0.4277 0.5968 ( 29720 PWs) bands (ev): -14.9598 -14.9598 -14.9598 -14.9598 -7.5794 -7.5794 -7.5783 -7.5783 -7.2267 -7.2267 -7.2256 -7.2256 -7.0791 -7.0791 -7.0788 -7.0788 -3.7325 -3.7325 -3.7315 -3.7315 -2.3258 -2.3258 -2.3248 -2.3248 -2.2975 -2.2975 -2.2921 -2.2921 0.5485 0.5485 0.5949 0.5949 1.2680 1.2680 1.2988 1.2988 1.5103 1.5103 1.7223 1.7223 1.9096 1.9096 2.1459 2.1459 2.2919 2.2919 2.3693 2.3693 2.4517 2.4517 2.5507 2.5507 3.0762 3.0762 3.1846 3.1846 3.4716 3.4716 3.5392 3.5392 3.6615 3.6615 3.7123 3.7123 4.1549 4.1549 4.2205 4.2205 4.2653 4.2653 4.3388 4.3388 4.3897 4.3897 4.4549 4.4549 5.0361 5.0361 5.0829 5.0829 5.2355 5.2355 5.2952 5.2952 8.7383 8.7383 8.7565 8.7565 9.6808 9.6808 9.7055 9.7055 9.8881 9.8881 9.8909 9.8909 k = 0.2346 0.4063 0.5968 ( 29696 PWs) bands (ev): -14.9598 -14.9598 -14.9598 -14.9598 -7.5851 -7.5851 -7.5841 -7.5841 -7.2181 -7.2181 -7.2172 -7.2172 -7.0794 -7.0794 -7.0791 -7.0791 -3.7344 -3.7344 -3.7335 -3.7335 -2.3293 -2.3293 -2.3285 -2.3285 -2.3002 -2.3002 -2.2954 -2.2954 0.5319 0.5319 0.5719 0.5719 1.2727 1.2727 1.2990 1.2990 1.5292 1.5292 1.7176 1.7176 1.9275 1.9275 2.1331 2.1331 2.3023 2.3023 2.3697 2.3697 2.4558 2.4558 2.5446 2.5446 3.0971 3.0971 3.1872 3.1872 3.4882 3.4882 3.5564 3.5564 3.6823 3.6823 3.7260 3.7260 4.1567 4.1567 4.2174 4.2174 4.2643 4.2643 4.3361 4.3361 4.3909 4.3909 4.4505 4.4505 5.0420 5.0420 5.0893 5.0893 5.2474 5.2474 5.3056 5.3056 8.6849 8.6849 8.7020 8.7020 9.6533 9.6533 9.6788 9.6788 9.8306 9.8306 9.8352 9.8352 k = 0.2222 0.3849 0.5968 ( 29712 PWs) bands (ev): -14.9598 -14.9598 -14.9598 -14.9598 -7.5911 -7.5911 -7.5903 -7.5903 -7.2089 -7.2089 -7.2081 -7.2081 -7.0796 -7.0796 -7.0793 -7.0793 -3.7365 -3.7365 -3.7357 -3.7357 -2.3331 -2.3331 -2.3324 -2.3324 -2.3036 -2.3036 -2.2993 -2.2993 0.5135 0.5135 0.5475 0.5475 1.2790 1.2790 1.3006 1.3006 1.5469 1.5469 1.7115 1.7115 1.9453 1.9453 2.1206 2.1206 2.3134 2.3134 2.3718 2.3718 2.4597 2.4597 2.5389 2.5389 3.1205 3.1205 3.1934 3.1934 3.5073 3.5073 3.5756 3.5756 3.7028 3.7028 3.7401 3.7401 4.1587 4.1587 4.2141 4.2141 4.2633 4.2633 4.3337 4.3337 4.3914 4.3914 4.4457 4.4457 5.0503 5.0503 5.0984 5.0984 5.2588 5.2588 5.3158 5.3158 8.6285 8.6285 8.6443 8.6443 9.6200 9.6200 9.6462 9.6462 9.7743 9.7743 9.7808 9.7808 k = 0.2099 0.3635 0.5968 ( 29692 PWs) bands (ev): -14.9598 -14.9598 -14.9598 -14.9598 -7.5975 -7.5975 -7.5969 -7.5969 -7.1991 -7.1991 -7.1984 -7.1984 -7.0798 -7.0798 -7.0795 -7.0795 -3.7389 -3.7389 -3.7382 -3.7381 -2.3370 -2.3370 -2.3364 -2.3364 -2.3077 -2.3077 -2.3039 -2.3039 0.4937 0.4937 0.5221 0.5221 1.2866 1.2866 1.3038 1.3038 1.5628 1.5628 1.7045 1.7045 1.9620 1.9620 2.1085 2.1085 2.3252 2.3252 2.3757 2.3757 2.4633 2.4633 2.5337 2.5337 3.1464 3.1464 3.2035 3.2035 3.5285 3.5285 3.5966 3.5966 3.7229 3.7229 3.7545 3.7545 4.1607 4.1607 4.2104 4.2104 4.2625 4.2625 4.3317 4.3317 4.3913 4.3913 4.4407 4.4407 5.0610 5.0610 5.1099 5.1099 5.2699 5.2699 5.3258 5.3258 8.5699 8.5699 8.5846 8.5846 9.5816 9.5816 9.6081 9.6081 9.7195 9.7195 9.7279 9.7279 k = 0.1975 0.3421 0.5968 ( 29692 PWs) bands (ev): -14.9598 -14.9598 -14.9598 -14.9598 -7.6041 -7.6041 -7.6036 -7.6036 -7.1889 -7.1889 -7.1884 -7.1884 -7.0800 -7.0800 -7.0797 -7.0797 -3.7415 -3.7415 -3.7408 -3.7408 -2.3412 -2.3412 -2.3406 -2.3406 -2.3123 -2.3123 -2.3090 -2.3090 0.4726 0.4726 0.4960 0.4960 1.2955 1.2955 1.3086 1.3086 1.5768 1.5768 1.6970 1.6970 1.9770 1.9770 2.0971 2.0971 2.3375 2.3375 2.3814 2.3814 2.4668 2.4668 2.5291 2.5291 3.1743 3.1743 3.2173 3.2173 3.5520 3.5520 3.6189 3.6189 3.7425 3.7425 3.7689 3.7689 4.1628 4.1628 4.2065 4.2065 4.2620 4.2620 4.3300 4.3300 4.3905 4.3905 4.4353 4.4353 5.0741 5.0741 5.1238 5.1238 5.2804 5.2804 5.3353 5.3353 8.5103 8.5103 8.5238 8.5238 9.5391 9.5391 9.5655 9.5655 9.6665 9.6665 9.6764 9.6764 k = 0.1852 0.3208 0.5968 ( 29666 PWs) bands (ev): -14.9599 -14.9599 -14.9599 -14.9599 -7.6108 -7.6108 -7.6103 -7.6103 -7.1785 -7.1785 -7.1781 -7.1781 -7.0800 -7.0800 -7.0797 -7.0797 -3.7442 -3.7442 -3.7437 -3.7437 -2.3455 -2.3455 -2.3450 -2.3450 -2.3174 -2.3174 -2.3145 -2.3145 0.4507 0.4507 0.4696 0.4696 1.3055 1.3055 1.3150 1.3150 1.5888 1.5888 1.6892 1.6892 1.9898 1.9898 2.0864 2.0864 2.3501 2.3501 2.3886 2.3886 2.4701 2.4701 2.5250 2.5250 3.2038 3.2038 3.2346 3.2346 3.5773 3.5773 3.6424 3.6424 3.7614 3.7614 3.7832 3.7832 4.1646 4.1646 4.2023 4.2023 4.2620 4.2620 4.3287 4.3287 4.3891 4.3891 4.4298 4.4298 5.0897 5.0897 5.1397 5.1397 5.2904 5.2904 5.3442 5.3442 8.4505 8.4505 8.4627 8.4627 9.4941 9.4941 9.5199 9.5199 9.6150 9.6150 9.6260 9.6260 k = 0.1728 0.2994 0.5968 ( 29690 PWs) bands (ev): -14.9599 -14.9599 -14.9599 -14.9599 -7.6175 -7.6175 -7.6171 -7.6171 -7.1679 -7.1679 -7.1677 -7.1677 -7.0800 -7.0800 -7.0797 -7.0797 -3.7471 -3.7471 -3.7466 -3.7466 -2.3500 -2.3500 -2.3495 -2.3495 -2.3228 -2.3228 -2.3203 -2.3203 0.4282 0.4282 0.4433 0.4433 1.3163 1.3163 1.3226 1.3226 1.5989 1.5989 1.6817 1.6817 2.0001 2.0001 2.0766 2.0766 2.3630 2.3630 2.3968 2.3968 2.4733 2.4733 2.5214 2.5214 3.2344 3.2344 3.2552 3.2552 3.6045 3.6045 3.6668 3.6668 3.7795 3.7795 3.7972 3.7972 4.1662 4.1662 4.1980 4.1980 4.2629 4.2629 4.3278 4.3278 4.3872 4.3872 4.4241 4.4241 5.1074 5.1074 5.1574 5.1574 5.2998 5.2998 5.3524 5.3524 8.3912 8.3912 8.4022 8.4022 9.4480 9.4480 9.4727 9.4727 9.5644 9.5644 9.5763 9.5763 k = 0.1605 0.2780 0.5968 ( 29704 PWs) bands (ev): -14.9599 -14.9599 -14.9599 -14.9599 -7.6241 -7.6241 -7.6238 -7.6238 -7.1575 -7.1575 -7.1573 -7.1573 -7.0799 -7.0799 -7.0796 -7.0796 -3.7501 -3.7501 -3.7497 -3.7497 -2.3546 -2.3546 -2.3541 -2.3541 -2.3284 -2.3284 -2.3263 -2.3263 0.4055 0.4055 0.4173 0.4173 1.3275 1.3275 1.3314 1.3314 1.6073 1.6073 1.6746 1.6746 2.0081 2.0081 2.0676 2.0676 2.3759 2.3759 2.4058 2.4058 2.4764 2.4764 2.5183 2.5183 3.2657 3.2657 3.2784 3.2784 3.6332 3.6332 3.6918 3.6918 3.7968 3.7968 3.8110 3.8110 4.1672 4.1672 4.1935 4.1935 4.2647 4.2647 4.3273 4.3273 4.3846 4.3846 4.4183 4.4183 5.1271 5.1271 5.1767 5.1767 5.3087 5.3087 5.3598 5.3598 8.3331 8.3331 8.3428 8.3428 9.4019 9.4019 9.4254 9.4254 9.5144 9.5144 9.5270 9.5270 k = 0.1481 0.2566 0.5968 ( 29726 PWs) bands (ev): -14.9599 -14.9599 -14.9599 -14.9599 -7.6305 -7.6305 -7.6302 -7.6302 -7.1472 -7.1472 -7.1471 -7.1471 -7.0797 -7.0797 -7.0795 -7.0795 -3.7531 -3.7531 -3.7528 -3.7528 -2.3593 -2.3593 -2.3589 -2.3589 -2.3339 -2.3339 -2.3322 -2.3322 0.3829 0.3829 0.3920 0.3920 1.3390 1.3390 1.3409 1.3409 1.6144 1.6144 1.6682 1.6682 2.0139 2.0139 2.0594 2.0594 2.3886 2.3886 2.4151 2.4151 2.4795 2.4795 2.5156 2.5156 3.2971 3.2971 3.3036 3.3036 3.6633 3.6633 3.7172 3.7172 3.8131 3.8131 3.8244 3.8244 4.1677 4.1677 4.1890 4.1890 4.2677 4.2677 4.3271 4.3271 4.3814 4.3814 4.4123 4.4123 5.1486 5.1486 5.1971 5.1971 5.3171 5.3171 5.3664 5.3664 8.2768 8.2768 8.2853 8.2853 9.3571 9.3571 9.3792 9.3792 9.4649 9.4649 9.4780 9.4780 k = 0.1358 0.2352 0.5968 ( 29726 PWs) bands (ev): -14.9600 -14.9600 -14.9600 -14.9600 -7.6366 -7.6366 -7.6364 -7.6364 -7.1373 -7.1373 -7.1372 -7.1372 -7.0795 -7.0795 -7.0793 -7.0793 -3.7562 -3.7562 -3.7559 -3.7559 -2.3642 -2.3642 -2.3639 -2.3639 -2.3393 -2.3393 -2.3379 -2.3379 0.3608 0.3608 0.3676 0.3676 1.3504 1.3504 1.3508 1.3508 1.6205 1.6205 1.6627 1.6627 2.0177 2.0177 2.0519 2.0519 2.4009 2.4009 2.4242 2.4242 2.4825 2.4825 2.5133 2.5133 3.3279 3.3279 3.3300 3.3300 3.6943 3.6943 3.7428 3.7428 3.8285 3.8285 3.8372 3.8372 4.1675 4.1675 4.1844 4.1844 4.2718 4.2718 4.3274 4.3274 4.3778 4.3778 4.4061 4.4061 5.1714 5.1714 5.2184 5.2184 5.3250 5.3250 5.3722 5.3722 8.2229 8.2229 8.2300 8.2300 9.3142 9.3142 9.3348 9.3348 9.4159 9.4159 9.4293 9.4293 k = 0.1235 0.2138 0.5968 ( 29706 PWs) bands (ev): -14.9600 -14.9600 -14.9600 -14.9600 -7.6424 -7.6424 -7.6423 -7.6423 -7.1278 -7.1278 -7.1278 -7.1278 -7.0793 -7.0793 -7.0790 -7.0790 -3.7592 -3.7592 -3.7590 -3.7590 -2.3692 -2.3692 -2.3690 -2.3690 -2.3444 -2.3444 -2.3433 -2.3433 0.3394 0.3394 0.3445 0.3445 1.3608 1.3608 1.3613 1.3613 1.6259 1.6259 1.6584 1.6584 2.0198 2.0198 2.0450 2.0450 2.4126 2.4126 2.4328 2.4328 2.4855 2.4855 2.5113 2.5113 3.3569 3.3569 3.3575 3.3575 3.7260 3.7260 3.7682 3.7682 3.8428 3.8428 3.8495 3.8495 4.1667 4.1667 4.1799 4.1799 4.2771 4.2771 4.3279 4.3279 4.3737 4.3737 4.3998 4.3998 5.1952 5.1952 5.2399 5.2399 5.3325 5.3325 5.3771 5.3771 8.1718 8.1718 8.1777 8.1777 9.2738 9.2738 9.2929 9.2929 9.3676 9.3676 9.3811 9.3811 k = 0.1111 0.1925 0.5968 ( 29730 PWs) bands (ev): -14.9600 -14.9600 -14.9600 -14.9600 -7.6479 -7.6479 -7.6478 -7.6478 -7.1189 -7.1189 -7.1188 -7.1188 -7.0789 -7.0789 -7.0787 -7.0787 -3.7621 -3.7621 -3.7620 -3.7620 -2.3743 -2.3743 -2.3741 -2.3741 -2.3491 -2.3491 -2.3483 -2.3483 0.3192 0.3192 0.3228 0.3228 1.3706 1.3706 1.3715 1.3715 1.6310 1.6310 1.6552 1.6552 2.0206 2.0206 2.0387 2.0387 2.4237 2.4237 2.4406 2.4406 2.4885 2.4885 2.5095 2.5095 3.3835 3.3835 3.3856 3.3856 3.7577 3.7577 3.7933 3.7933 3.8561 3.8561 3.8612 3.8612 4.1653 4.1653 4.1755 4.1755 4.2834 4.2834 4.3288 4.3288 4.3692 4.3692 4.3932 4.3932 5.2195 5.2195 5.2612 5.2612 5.3397 5.3397 5.3812 5.3812 8.1240 8.1240 8.1287 8.1287 9.2365 9.2365 9.2540 9.2540 9.3206 9.3206 9.3339 9.3339 k = 0.0988 0.1711 0.5968 ( 29742 PWs) bands (ev): -14.9600 -14.9600 -14.9600 -14.9600 -7.6529 -7.6529 -7.6528 -7.6528 -7.1106 -7.1106 -7.1105 -7.1105 -7.0786 -7.0786 -7.0784 -7.0784 -3.7649 -3.7649 -3.7648 -3.7648 -2.3793 -2.3793 -2.3792 -2.3792 -2.3533 -2.3533 -2.3528 -2.3528 0.3003 0.3003 0.3028 0.3028 1.3798 1.3798 1.3808 1.3808 1.6358 1.6358 1.6532 1.6532 2.0204 2.0204 2.0329 2.0329 2.4338 2.4338 2.4477 2.4477 2.4915 2.4915 2.5080 2.5080 3.4089 3.4089 3.4116 3.4116 3.7889 3.7889 3.8176 3.8176 3.8684 3.8684 3.8721 3.8721 4.1636 4.1636 4.1712 4.1712 4.2903 4.2903 4.3299 4.3299 4.3646 4.3646 4.3864 4.3864 5.2437 5.2437 5.2815 5.2815 5.3471 5.3471 5.3846 5.3846 8.0799 8.0799 8.0835 8.0835 9.2026 9.2026 9.2184 9.2184 9.2755 9.2755 9.2883 9.2883 k = 0.0864 0.1497 0.5968 ( 29742 PWs) bands (ev): -14.9601 -14.9601 -14.9601 -14.9601 -7.6574 -7.6574 -7.6573 -7.6573 -7.1031 -7.1031 -7.1029 -7.1029 -7.0783 -7.0783 -7.0781 -7.0781 -3.7675 -3.7675 -3.7674 -3.7674 -2.3842 -2.3842 -2.3840 -2.3840 -2.3571 -2.3571 -2.3567 -2.3567 0.2831 0.2831 0.2847 0.2847 1.3881 1.3881 1.3890 1.3890 1.6405 1.6405 1.6525 1.6525 2.0193 2.0193 2.0277 2.0277 2.4431 2.4431 2.4538 2.4538 2.4943 2.4943 2.5068 2.5068 3.4326 3.4326 3.4351 3.4351 3.8188 3.8188 3.8406 3.8406 3.8799 3.8799 3.8825 3.8825 4.1616 4.1616 4.1671 4.1671 4.2977 4.2977 4.3310 4.3310 4.3598 4.3598 4.3795 4.3795 5.2672 5.2672 5.2999 5.2999 5.3548 5.3548 5.3873 5.3873 8.0400 8.0400 8.0426 8.0426 9.1724 9.1724 9.1863 9.1863 9.2330 9.2330 9.2450 9.2450 k = 0.0741 0.1283 0.5968 ( 29758 PWs) bands (ev): -14.9601 -14.9601 -14.9601 -14.9601 -7.6614 -7.6614 -7.6613 -7.6613 -7.0963 -7.0963 -7.0962 -7.0962 -7.0779 -7.0779 -7.0778 -7.0778 -3.7698 -3.7698 -3.7698 -3.7698 -2.3887 -2.3887 -2.3886 -2.3886 -2.3603 -2.3603 -2.3601 -2.3601 0.2676 0.2676 0.2686 0.2686 1.3953 1.3953 1.3961 1.3961 1.6451 1.6451 1.6528 1.6528 2.0177 2.0177 2.0230 2.0230 2.4512 2.4512 2.4589 2.4589 2.4969 2.4969 2.5057 2.5057 3.4540 3.4540 3.4559 3.4559 3.8464 3.8464 3.8616 3.8616 3.8909 3.8909 3.8923 3.8923 4.1594 4.1594 4.1632 4.1632 4.3052 4.3052 4.3321 4.3321 4.3552 4.3552 4.3725 4.3725 5.2891 5.2891 5.3156 5.3156 5.3634 5.3634 5.3896 5.3896 8.0044 8.0044 8.0062 8.0062 9.1460 9.1460 9.1581 9.1581 9.1939 9.1939 9.2048 9.2048 k = 0.0617 0.1069 0.5968 ( 29766 PWs) bands (ev): -14.9601 -14.9601 -14.9601 -14.9601 -7.6648 -7.6648 -7.6648 -7.6648 -7.0905 -7.0905 -7.0904 -7.0904 -7.0776 -7.0776 -7.0775 -7.0775 -3.7719 -3.7719 -3.7719 -3.7719 -2.3928 -2.3928 -2.3927 -2.3927 -2.3630 -2.3630 -2.3629 -2.3629 0.2542 0.2542 0.2548 0.2548 1.4014 1.4014 1.4019 1.4019 1.6494 1.6494 1.6540 1.6540 2.0158 2.0158 2.0188 2.0188 2.4582 2.4582 2.4632 2.4632 2.4992 2.4992 2.5049 2.5049 3.4725 3.4725 3.4739 3.4739 3.8702 3.8702 3.8791 3.8791 3.9023 3.9023 3.9023 3.9023 4.1573 4.1573 4.1597 4.1597 4.3124 4.3124 4.3330 4.3330 4.3511 4.3511 4.3654 4.3654 5.3088 5.3088 5.3278 5.3278 5.3729 5.3729 5.3918 5.3918 7.9737 7.9737 7.9748 7.9748 9.1236 9.1236 9.1338 9.1338 9.1591 9.1591 9.1685 9.1685 k = 0.0494 0.0855 0.5968 ( 29764 PWs) bands (ev): -14.9601 -14.9601 -14.9601 -14.9601 -7.6676 -7.6676 -7.6676 -7.6676 -7.0857 -7.0857 -7.0856 -7.0856 -7.0774 -7.0774 -7.0772 -7.0772 -3.7736 -3.7736 -3.7736 -3.7736 -2.3963 -2.3963 -2.3963 -2.3963 -2.3653 -2.3653 -2.3652 -2.3652 0.2430 0.2430 0.2433 0.2433 1.4063 1.4063 1.4066 1.4066 1.6533 1.6533 1.6557 1.6557 2.0138 2.0138 2.0154 2.0154 2.4639 2.4639 2.4668 2.4668 2.5012 2.5012 2.5044 2.5044 3.4879 3.4879 3.4887 3.4887 3.8880 3.8880 3.8917 3.8917 3.9136 3.9136 3.9150 3.9150 4.1552 4.1552 4.1565 4.1565 4.3192 4.3192 4.3336 4.3336 4.3477 4.3477 4.3586 4.3586 5.3252 5.3252 5.3367 5.3367 5.3827 5.3827 5.3941 5.3941 7.9480 7.9480 7.9486 7.9486 9.1054 9.1054 9.1135 9.1135 9.1294 9.1294 9.1372 9.1372 k = 0.0370 0.0642 0.5968 ( 29750 PWs) bands (ev): -14.9601 -14.9601 -14.9601 -14.9601 -7.6699 -7.6699 -7.6699 -7.6699 -7.0818 -7.0818 -7.0818 -7.0818 -7.0771 -7.0771 -7.0770 -7.0770 -3.7750 -3.7750 -3.7750 -3.7750 -2.3991 -2.3991 -2.3991 -2.3991 -2.3670 -2.3670 -2.3670 -2.3670 0.2342 0.2342 0.2343 0.2343 1.4100 1.4100 1.4101 1.4101 1.6565 1.6565 1.6575 1.6575 2.0120 2.0120 2.0126 2.0126 2.4682 2.4682 2.4696 2.4696 2.5026 2.5026 2.5041 2.5041 3.5001 3.5001 3.5004 3.5004 3.8987 3.8987 3.8999 3.8999 3.9265 3.9265 3.9278 3.9278 4.1533 4.1533 4.1539 4.1539 4.3252 4.3252 4.3339 4.3339 4.3450 4.3450 4.3521 4.3521 5.3375 5.3375 5.3430 5.3430 5.3915 5.3915 5.3969 5.3969 7.9277 7.9277 7.9280 7.9280 9.0914 9.0914 9.0974 9.0974 9.1058 9.1058 9.1116 9.1116 k = 0.0247 0.0428 0.5968 ( 29766 PWs) bands (ev): -14.9601 -14.9601 -14.9601 -14.9601 -7.6715 -7.6715 -7.6715 -7.6715 -7.0791 -7.0791 -7.0790 -7.0790 -7.0769 -7.0769 -7.0769 -7.0769 -3.7761 -3.7761 -3.7761 -3.7761 -2.4012 -2.4012 -2.4012 -2.4012 -2.3683 -2.3683 -2.3683 -2.3683 0.2278 0.2278 0.2278 0.2278 1.4125 1.4125 1.4126 1.4126 1.6589 1.6589 1.6592 1.6592 2.0104 2.0104 2.0106 2.0106 2.4712 2.4712 2.4716 2.4716 2.5036 2.5036 2.5040 2.5040 3.5087 3.5087 3.5089 3.5089 3.9047 3.9047 3.9050 3.9050 3.9380 3.9380 3.9385 3.9385 4.1518 4.1518 4.1520 4.1520 4.3303 4.3303 4.3344 4.3344 4.3429 4.3429 4.3464 4.3464 5.3456 5.3456 5.3473 5.3473 5.3983 5.3983 5.4000 5.4000 7.9130 7.9130 7.9131 7.9131 9.0817 9.0817 9.0854 9.0854 9.0888 9.0888 9.0924 9.0924 k = 0.0123 0.0214 0.5968 ( 29744 PWs) bands (ev): -14.9601 -14.9601 -14.9601 -14.9601 -7.6725 -7.6725 -7.6725 -7.6725 -7.0775 -7.0775 -7.0775 -7.0775 -7.0767 -7.0767 -7.0767 -7.0767 -3.7767 -3.7767 -3.7767 -3.7767 -2.4025 -2.4025 -2.4025 -2.4025 -2.3690 -2.3690 -2.3690 -2.3690 0.2239 0.2239 0.2239 0.2239 1.4140 1.4140 1.4140 1.4140 1.6604 1.6604 1.6604 1.6604 2.0094 2.0094 2.0095 2.0095 2.4729 2.4729 2.4729 2.4729 2.5041 2.5041 2.5041 2.5041 3.5139 3.5139 3.5140 3.5140 3.9079 3.9079 3.9079 3.9079 3.9454 3.9454 3.9455 3.9455 4.1507 4.1507 4.1508 4.1508 4.3345 4.3345 4.3355 4.3355 4.3408 4.3408 4.3417 4.3417 5.3498 5.3498 5.3500 5.3500 5.4025 5.4025 5.4027 5.4027 7.9041 7.9041 7.9041 7.9041 9.0762 9.0762 9.0774 9.0774 9.0792 9.0792 9.0803 9.0803 k = 0.0000 0.0000 0.5968 ( 29712 PWs) bands (ev): -14.9601 -14.9601 -14.9601 -14.9601 -7.6728 -7.6728 -7.6728 -7.6728 -7.0771 -7.0771 -7.0771 -7.0771 -7.0765 -7.0765 -7.0765 -7.0765 -3.7769 -3.7769 -3.7769 -3.7769 -2.4029 -2.4029 -2.4029 -2.4029 -2.3693 -2.3693 -2.3693 -2.3693 0.2226 0.2226 0.2226 0.2226 1.4145 1.4145 1.4145 1.4145 1.6608 1.6608 1.6608 1.6608 2.0091 2.0091 2.0091 2.0091 2.4734 2.4734 2.4734 2.4734 2.5042 2.5042 2.5042 2.5042 3.5157 3.5157 3.5157 3.5157 3.9088 3.9088 3.9088 3.9088 3.9480 3.9480 3.9480 3.9480 4.1504 4.1504 4.1504 4.1504 4.3369 4.3369 4.3369 4.3369 4.3391 4.3391 4.3391 4.3391 5.3510 5.3510 5.3510 5.3510 5.4038 5.4038 5.4038 5.4038 7.9011 7.9011 7.9011 7.9011 9.0747 9.0747 9.0747 9.0747 9.0759 9.0759 9.0759 9.0759 k = 0.5000 0.2887 0.5968 ( 29688 PWs) bands (ev): -14.9598 -14.9598 -14.9598 -14.9598 -7.5790 -7.5790 -7.5790 -7.5790 -7.2214 -7.2214 -7.2214 -7.2214 -7.0843 -7.0843 -7.0843 -7.0843 -3.7316 -3.7316 -3.7316 -3.7316 -2.3348 -2.3348 -2.3348 -2.3348 -2.2822 -2.2822 -2.2822 -2.2822 0.5588 0.5588 0.5588 0.5588 1.2835 1.2835 1.2835 1.2835 1.6502 1.6502 1.6502 1.6502 2.0318 2.0318 2.0318 2.0318 2.3039 2.3039 2.3039 2.3039 2.4962 2.4962 2.4962 2.4962 3.0970 3.0970 3.0970 3.0970 3.4275 3.4275 3.4275 3.4275 3.8136 3.8136 3.8136 3.8136 4.1805 4.1805 4.1805 4.1805 4.2933 4.2933 4.2933 4.2933 4.4381 4.4381 4.4381 4.4381 4.9764 4.9764 4.9764 4.9764 5.3499 5.3499 5.3499 5.3499 8.7619 8.7619 8.7619 8.7619 9.5529 9.5529 9.5529 9.5529 9.9029 9.9029 9.9029 9.9029 k = 0.5000 0.2887 0.5720 ( 29676 PWs) bands (ev): -14.9599 -14.9599 -14.9597 -14.9597 -7.6024 -7.6024 -7.5554 -7.5554 -7.2299 -7.2299 -7.2126 -7.2126 -7.0947 -7.0947 -7.0739 -7.0739 -3.7319 -3.7319 -3.7314 -3.7314 -2.3355 -2.3355 -2.3343 -2.3343 -2.2830 -2.2830 -2.2814 -2.2814 0.5450 0.5450 0.5718 0.5718 1.2703 1.2703 1.2977 1.2977 1.6243 1.6243 1.6766 1.6766 2.0099 2.0099 2.0519 2.0519 2.2693 2.2693 2.3402 2.3402 2.4720 2.4720 2.5241 2.5241 3.0660 3.0660 3.1264 3.1264 3.4058 3.4058 3.4454 3.4454 3.7826 3.7826 3.8439 3.8439 4.1753 4.1753 4.1849 4.1849 4.2845 4.2845 4.3014 4.3014 4.4318 4.4318 4.4445 4.4445 4.9644 4.9644 4.9895 4.9895 5.3380 5.3380 5.3630 5.3630 8.7235 8.7235 8.8000 8.8000 9.5112 9.5112 9.5948 9.5948 9.8879 9.8879 9.9205 9.9205 k = 0.5000 0.2887 0.5471 ( 29676 PWs) bands (ev): -14.9600 -14.9600 -14.9596 -14.9596 -7.6255 -7.6255 -7.5319 -7.5319 -7.2380 -7.2380 -7.2036 -7.2036 -7.1051 -7.1051 -7.0635 -7.0635 -3.7322 -3.7322 -3.7313 -3.7313 -2.3361 -2.3361 -2.3337 -2.3337 -2.2839 -2.2839 -2.2806 -2.2806 0.5305 0.5305 0.5836 0.5836 1.2584 1.2584 1.3123 1.3123 1.5990 1.5990 1.7033 1.7033 1.9868 1.9868 2.0702 2.0702 2.2379 2.2379 2.3762 2.3762 2.4507 2.4507 2.5566 2.5566 3.0332 3.0332 3.1540 3.1540 3.3816 3.3816 3.4578 3.4578 3.7526 3.7526 3.8723 3.8723 4.1697 4.1697 4.1881 4.1881 4.2752 4.2752 4.3085 4.3085 4.4258 4.4258 4.4511 4.4511 4.9539 4.9539 5.0031 5.0031 5.3272 5.3272 5.3774 5.3774 8.6843 8.6843 8.8377 8.8377 9.4723 9.4723 9.6337 9.6337 9.8774 9.8774 9.9390 9.9390 k = 0.5000 0.2887 0.5222 ( 29672 PWs) bands (ev): -14.9601 -14.9601 -14.9595 -14.9595 -7.6483 -7.6483 -7.5085 -7.5085 -7.2458 -7.2458 -7.1945 -7.1945 -7.1153 -7.1153 -7.0533 -7.0533 -3.7326 -3.7326 -3.7312 -3.7312 -2.3369 -2.3369 -2.3332 -2.3332 -2.2847 -2.2847 -2.2799 -2.2799 0.5156 0.5156 0.5938 0.5938 1.2482 1.2482 1.3263 1.3263 1.5749 1.5749 1.7304 1.7304 1.9634 1.9634 2.0867 2.0867 2.2104 2.2104 2.4092 2.4092 2.4326 2.4326 2.5943 2.5943 2.9989 2.9989 3.1795 3.1795 3.3559 3.3559 3.4627 3.4627 3.7259 3.7259 3.8980 3.8980 4.1639 4.1639 4.1894 4.1894 4.2660 4.2660 4.3147 4.3147 4.4202 4.4202 4.4575 4.4575 4.9452 4.9452 5.0170 5.0170 5.3173 5.3173 5.3931 5.3931 8.6443 8.6443 8.8751 8.8751 9.4386 9.4386 9.6654 9.6654 9.8726 9.8726 9.9561 9.9561 k = 0.5000 0.2887 0.4974 ( 29700 PWs) bands (ev): -14.9602 -14.9602 -14.9594 -14.9594 -7.6707 -7.6707 -7.4854 -7.4854 -7.2530 -7.2530 -7.1853 -7.1853 -7.1254 -7.1254 -7.0431 -7.0431 -3.7331 -3.7331 -3.7311 -3.7311 -2.3377 -2.3377 -2.3327 -2.3327 -2.2855 -2.2855 -2.2793 -2.2793 0.5006 0.5006 0.6023 0.6023 1.2399 1.2399 1.3384 1.3384 1.5532 1.5532 1.7577 1.7577 1.9412 1.9412 2.1018 2.1018 2.1868 2.1868 2.4127 2.4127 2.4425 2.4425 2.6371 2.6371 2.9629 2.9629 3.2028 3.2028 3.3294 3.3294 3.4581 3.4581 3.7052 3.7052 3.9206 3.9206 4.1581 4.1581 4.1879 4.1879 4.2579 4.2579 4.3200 4.3200 4.4152 4.4152 4.4639 4.4639 4.9387 4.9387 5.0306 5.0306 5.3082 5.3082 5.4101 5.4101 8.6033 8.6033 8.9119 8.9119 9.4120 9.4120 9.6866 9.6866 9.8747 9.8747 9.9695 9.9695 k = 0.5000 0.2887 0.4725 ( 29696 PWs) bands (ev): -14.9603 -14.9603 -14.9593 -14.9593 -7.6924 -7.6924 -7.4629 -7.4629 -7.2595 -7.2595 -7.1761 -7.1761 -7.1354 -7.1354 -7.0331 -7.0331 -3.7336 -3.7336 -3.7312 -3.7312 -2.3385 -2.3385 -2.3322 -2.3322 -2.2863 -2.2863 -2.2787 -2.2787 0.4857 0.4857 0.6085 0.6085 1.2335 1.2335 1.3465 1.3465 1.5359 1.5359 1.7847 1.7847 1.9217 1.9217 2.1156 2.1156 2.1670 2.1670 2.3978 2.3978 2.4690 2.4690 2.6836 2.6836 2.9256 2.9256 3.2233 3.2233 3.3028 3.3028 3.4430 3.4430 3.6925 3.6925 3.9398 3.9398 4.1522 4.1522 4.1825 4.1825 4.2518 4.2518 4.3244 4.3244 4.4106 4.4106 4.4699 4.4699 4.9346 4.9346 5.0436 5.0436 5.2996 5.2996 5.4282 5.4282 8.5612 8.5612 8.9475 8.9475 9.3946 9.3946 9.6957 9.6957 9.8847 9.8847 9.9765 9.9765 k = 0.5000 0.2887 0.4476 ( 29700 PWs) bands (ev): -14.9604 -14.9604 -14.9593 -14.9593 -7.7135 -7.7135 -7.4413 -7.4413 -7.2651 -7.2651 -7.1669 -7.1669 -7.1451 -7.1451 -7.0234 -7.0234 -3.7341 -3.7341 -3.7313 -3.7313 -2.3395 -2.3395 -2.3317 -2.3317 -2.2870 -2.2870 -2.2782 -2.2782 0.4709 0.4709 0.6122 0.6122 1.2292 1.2292 1.3483 1.3483 1.5253 1.5253 1.8099 1.8099 1.9077 1.9077 2.1281 2.1281 2.1505 2.1505 2.3842 2.3842 2.4927 2.4927 2.7316 2.7316 2.8872 2.8872 3.2396 3.2396 3.2771 3.2771 3.4195 3.4195 3.6874 3.6874 3.9553 3.9553 4.1463 4.1463 4.1732 4.1732 4.2480 4.2480 4.3280 4.3280 4.4067 4.4067 4.4756 4.4756 4.9331 4.9331 5.0559 5.0559 5.2914 5.2914 5.4475 5.4475 8.5180 8.5180 8.9806 8.9806 9.3885 9.3885 9.6945 9.6945 9.9030 9.9030 9.9750 9.9750 k = 0.5000 0.2887 0.4228 ( 29676 PWs) bands (ev): -14.9606 -14.9606 -14.9592 -14.9592 -7.7339 -7.7339 -7.4209 -7.4209 -7.2695 -7.2695 -7.1580 -7.1580 -7.1543 -7.1543 -7.0139 -7.0139 -3.7347 -3.7347 -3.7314 -3.7314 -2.3406 -2.3406 -2.3313 -2.3313 -2.2876 -2.2876 -2.2777 -2.2777 0.4565 0.4565 0.6131 0.6131 1.2270 1.2270 1.3424 1.3424 1.5229 1.5229 1.8289 1.8289 1.9042 1.9042 2.1348 2.1348 2.1415 2.1415 2.3724 2.3724 2.5137 2.5137 2.7769 2.7769 2.8500 2.8500 3.2445 3.2445 3.2573 3.2573 3.3928 3.3928 3.6884 3.6884 3.9671 3.9671 4.1400 4.1400 4.1609 4.1609 4.2462 4.2462 4.3309 4.3309 4.4033 4.4033 4.4809 4.4809 4.9342 4.9342 5.0670 5.0670 5.2834 5.2834 5.4676 5.4676 8.4738 8.4738 9.0103 9.0103 9.3957 9.3957 9.6863 9.6863 9.9299 9.9299 9.9640 9.9640 k = 0.5000 0.2887 0.3979 ( 29674 PWs) bands (ev): -14.9607 -14.9607 -14.9592 -14.9592 -7.7535 -7.7535 -7.4023 -7.4023 -7.2723 -7.2723 -7.1638 -7.1638 -7.1487 -7.1487 -7.0047 -7.0047 -3.7354 -3.7354 -3.7316 -3.7316 -2.3418 -2.3418 -2.3309 -2.3309 -2.2880 -2.2880 -2.2772 -2.2772 0.4427 0.4427 0.6109 0.6109 1.2269 1.2269 1.3300 1.3300 1.5280 1.5280 1.8362 1.8362 1.9170 1.9170 2.1243 2.1243 2.1509 2.1509 2.3627 2.3627 2.5325 2.5325 2.7902 2.7902 2.8412 2.8412 3.2239 3.2239 3.2524 3.2524 3.3715 3.3715 3.6936 3.6936 3.9751 3.9751 4.1322 4.1322 4.1477 4.1477 4.2456 4.2456 4.3332 4.3332 4.4004 4.4004 4.4857 4.4857 4.9377 4.9377 5.0770 5.0770 5.2754 5.2754 5.4885 5.4885 8.4289 8.4289 9.0358 9.0358 9.4175 9.4175 9.6745 9.6745 9.9413 9.9413 9.9674 9.9674 k = 0.5000 0.2887 0.3730 ( 29686 PWs) bands (ev): -14.9608 -14.9608 -14.9591 -14.9591 -7.7722 -7.7722 -7.3862 -7.3862 -7.2728 -7.2728 -7.1726 -7.1726 -7.1399 -7.1399 -6.9959 -6.9959 -3.7360 -3.7360 -3.7318 -3.7318 -2.3431 -2.3431 -2.3305 -2.3305 -2.2884 -2.2884 -2.2768 -2.2768 0.4294 0.4294 0.6057 0.6057 1.2287 1.2287 1.3139 1.3139 1.5380 1.5380 1.8352 1.8352 1.9430 1.9430 2.1149 2.1149 2.1602 2.1602 2.3556 2.3556 2.5493 2.5493 2.7541 2.7541 2.8765 2.8765 3.1996 3.1996 3.2350 3.2350 3.3645 3.3645 3.7016 3.7016 3.9791 3.9791 4.1207 4.1207 4.1368 4.1368 4.2456 4.2456 4.3352 4.3352 4.3979 4.3979 4.4901 4.4901 4.9433 4.9433 5.0857 5.0857 5.2674 5.2674 5.5098 5.5098 8.3835 8.3835 9.0577 9.0577 9.4536 9.4536 9.6620 9.6620 9.9109 9.9109 10.0120 10.0120 k = 0.5000 0.2887 0.3482 ( 29688 PWs) bands (ev): -14.9609 -14.9609 -14.9591 -14.9591 -7.7900 -7.7900 -7.3735 -7.3735 -7.2704 -7.2704 -7.1810 -7.1810 -7.1314 -7.1314 -6.9875 -6.9875 -3.7367 -3.7367 -3.7320 -3.7320 -2.3445 -2.3445 -2.3302 -2.3302 -2.2886 -2.2886 -2.2764 -2.2764 0.4168 0.4168 0.5972 0.5972 1.2320 1.2320 1.2970 1.2970 1.5506 1.5506 1.8323 1.8323 1.9755 1.9755 2.1072 2.1072 2.1679 2.1679 2.3515 2.3515 2.5642 2.5642 2.7114 2.7114 2.9112 2.9112 3.1734 3.1734 3.2064 3.2064 3.3713 3.3713 3.7118 3.7118 3.9792 3.9792 4.1058 4.1058 4.1289 4.1289 4.2459 4.2459 4.3368 4.3368 4.3956 4.3956 4.4940 4.4940 4.9508 4.9508 5.0930 5.0930 5.2594 5.2594 5.5314 5.5314 8.3381 8.3381 9.0775 9.0775 9.5020 9.5020 9.6506 9.6506 9.8722 9.8722 10.0652 10.0652 k = 0.5000 0.2887 0.3233 ( 29684 PWs) bands (ev): -14.9610 -14.9610 -14.9591 -14.9591 -7.8068 -7.8068 -7.3646 -7.3646 -7.2646 -7.2646 -7.1890 -7.1890 -7.1232 -7.1232 -6.9794 -6.9794 -3.7375 -3.7375 -3.7323 -3.7323 -2.3460 -2.3460 -2.3299 -2.3299 -2.2887 -2.2887 -2.2760 -2.2760 0.4049 0.4049 0.5858 0.5858 1.2358 1.2358 1.2823 1.2823 1.5639 1.5639 1.8306 1.8306 2.0116 2.0116 2.1011 2.1011 2.1738 2.1738 2.3509 2.3509 2.5770 2.5770 2.6677 2.6677 2.9386 2.9386 3.1412 3.1412 3.1781 3.1781 3.3866 3.3866 3.7236 3.7236 3.9752 3.9752 4.0903 4.0903 4.1218 4.1218 4.2466 4.2466 4.3383 4.3383 4.3935 4.3935 4.4976 4.4976 4.9597 4.9597 5.0991 5.0991 5.2513 5.2513 5.5530 5.5530 8.2931 8.2931 9.0973 9.0973 9.5600 9.5600 9.6417 9.6417 9.8275 9.8275 10.0994 10.0994 k = 0.5000 0.2887 0.2984 ( 29690 PWs) bands (ev): -14.9612 -14.9612 -14.9590 -14.9590 -7.8225 -7.8225 -7.3594 -7.3594 -7.2556 -7.2556 -7.1966 -7.1966 -7.1153 -7.1153 -6.9718 -6.9718 -3.7382 -3.7382 -3.7325 -3.7325 -2.3475 -2.3475 -2.3297 -2.3297 -2.2887 -2.2887 -2.2756 -2.2756 0.3939 0.3939 0.5719 0.5719 1.2370 1.2370 1.2736 1.2736 1.5767 1.5767 1.8307 1.8307 2.0497 2.0497 2.0967 2.0967 2.1777 2.1777 2.3544 2.3544 2.5856 2.5856 2.6260 2.6260 2.9567 2.9567 3.1027 3.1027 3.1554 3.1554 3.4074 3.4074 3.7369 3.7369 3.9671 3.9671 4.0758 4.0758 4.1146 4.1146 4.2475 4.2475 4.3397 4.3397 4.3915 4.3915 4.5007 4.5007 4.9696 4.9696 5.1038 5.1038 5.2433 5.2433 5.5744 5.5744 8.2489 8.2489 9.1190 9.1190 9.6227 9.6227 9.6367 9.6367 9.7796 9.7796 10.0651 10.0651 k = 0.5000 0.2887 0.2736 ( 29678 PWs) bands (ev): -14.9613 -14.9613 -14.9590 -14.9590 -7.8372 -7.8372 -7.3571 -7.3571 -7.2444 -7.2444 -7.2036 -7.2036 -7.1078 -7.1078 -6.9647 -6.9647 -3.7389 -3.7389 -3.7328 -3.7328 -2.3491 -2.3491 -2.3296 -2.3296 -2.2886 -2.2886 -2.2752 -2.2752 0.3837 0.3837 0.5558 0.5558 1.2321 1.2321 1.2749 1.2749 1.5881 1.5881 1.8330 1.8330 2.0847 2.0847 2.0980 2.0980 2.1797 2.1797 2.3620 2.3620 2.5693 2.5693 2.6075 2.6075 2.9640 2.9640 3.0625 3.0625 3.1364 3.1364 3.4323 3.4323 3.7513 3.7513 3.9551 3.9551 4.0632 4.0632 4.1069 4.1069 4.2489 4.2489 4.3411 4.3411 4.3893 4.3893 4.5035 4.5035 4.9799 4.9799 5.1075 5.1075 5.2355 5.2355 5.5952 5.5952 8.2061 8.2061 9.1439 9.1439 9.6322 9.6322 9.6838 9.6838 9.7365 9.7365 10.0275 10.0275 k = 0.5000 0.2887 0.2487 ( 29680 PWs) bands (ev): -14.9614 -14.9614 -14.9590 -14.9590 -7.8507 -7.8507 -7.3568 -7.3568 -7.2320 -7.2320 -7.2102 -7.2102 -7.1008 -7.1008 -6.9582 -6.9582 -3.7397 -3.7397 -3.7331 -3.7331 -2.3507 -2.3507 -2.3295 -2.3295 -2.2883 -2.2883 -2.2748 -2.2748 0.3743 0.3743 0.5383 0.5383 1.2236 1.2236 1.2837 1.2837 1.5976 1.5976 1.8375 1.8375 2.0876 2.0876 2.1328 2.1328 2.1809 2.1809 2.3734 2.3734 2.5282 2.5282 2.6126 2.6126 2.9593 2.9593 3.0251 3.0251 3.1196 3.1196 3.4600 3.4600 3.7664 3.7664 3.9401 3.9401 4.0526 4.0526 4.0987 4.0987 4.2508 4.2508 4.3424 4.3424 4.3870 4.3870 4.5059 4.5059 4.9903 4.9903 5.1101 5.1101 5.2279 5.2279 5.6153 5.6153 8.1652 8.1652 9.1729 9.1729 9.6321 9.6321 9.6695 9.6695 9.7643 9.7643 9.9904 9.9904 k = 0.5000 0.2887 0.2238 ( 29666 PWs) bands (ev): -14.9615 -14.9615 -14.9590 -14.9590 -7.8631 -7.8631 -7.3576 -7.3576 -7.2193 -7.2193 -7.2162 -7.2162 -7.0942 -7.0942 -6.9521 -6.9521 -3.7404 -3.7404 -3.7334 -3.7334 -2.3523 -2.3523 -2.3294 -2.3294 -2.2880 -2.2880 -2.2745 -2.2745 0.3659 0.3659 0.5199 0.5199 1.2150 1.2150 1.2962 1.2962 1.6050 1.6050 1.8442 1.8442 2.0850 2.0850 2.1645 2.1645 2.1909 2.1909 2.3883 2.3883 2.4854 2.4854 2.6189 2.6189 2.9410 2.9410 2.9940 2.9940 3.1046 3.1046 3.4893 3.4893 3.7820 3.7820 3.9229 3.9229 4.0438 4.0438 4.0900 4.0900 4.2533 4.2533 4.3436 4.3436 4.3844 4.3844 4.5080 4.5080 5.0003 5.0003 5.1120 5.1120 5.2207 5.2207 5.6343 5.6343 8.1265 8.1265 9.2063 9.2063 9.6177 9.6177 9.6396 9.6396 9.8165 9.8165 9.9553 9.9553 k = 0.5000 0.2887 0.1989 ( 29666 PWs) bands (ev): -14.9616 -14.9616 -14.9590 -14.9590 -7.8743 -7.8743 -7.3591 -7.3591 -7.2217 -7.2217 -7.2070 -7.2070 -7.0883 -7.0883 -6.9466 -6.9466 -3.7410 -3.7410 -3.7337 -3.7337 -2.3538 -2.3538 -2.3294 -2.3294 -2.2877 -2.2877 -2.2741 -2.2741 0.3583 0.3583 0.5015 0.5015 1.2074 1.2074 1.3107 1.3107 1.6100 1.6100 1.8531 1.8531 2.0819 2.0819 2.1695 2.1695 2.2283 2.2283 2.4059 2.4059 2.4436 2.4436 2.6240 2.6240 2.9120 2.9120 2.9682 2.9682 3.0912 3.0912 3.5191 3.5191 3.7974 3.7974 3.9045 3.9045 4.0363 4.0363 4.0811 4.0811 4.2564 4.2564 4.3447 4.3447 4.3814 4.3814 4.5099 4.5099 5.0094 5.0094 5.1133 5.1133 5.2140 5.2140 5.6521 5.6521 8.0906 8.0906 9.2441 9.2441 9.5723 9.5723 9.6436 9.6436 9.8564 9.8564 9.9235 9.9235 k = 0.5000 0.2887 0.1741 ( 29686 PWs) bands (ev): -14.9616 -14.9616 -14.9589 -14.9589 -7.8842 -7.8842 -7.3608 -7.3608 -7.2265 -7.2265 -7.1954 -7.1954 -7.0829 -7.0829 -6.9417 -6.9417 -3.7417 -3.7417 -3.7339 -3.7339 -2.3553 -2.3553 -2.3294 -2.3294 -2.2873 -2.2873 -2.2737 -2.2737 0.3516 0.3516 0.4837 0.4837 1.2012 1.2012 1.3263 1.3263 1.6127 1.6127 1.8642 1.8642 2.0780 2.0780 2.1678 2.1678 2.2728 2.2728 2.4033 2.4033 2.4260 2.4260 2.6277 2.6277 2.8795 2.8795 2.9425 2.9425 3.0793 3.0793 3.5483 3.5483 3.8121 3.8121 3.8860 3.8860 4.0299 4.0299 4.0723 4.0723 4.2600 4.2600 4.3458 4.3458 4.3782 4.3782 4.5114 4.5114 5.0174 5.0174 5.1143 5.1143 5.2079 5.2079 5.6685 5.6685 8.0579 8.0579 9.2859 9.2859 9.5283 9.5283 9.6507 9.6507 9.8822 9.8822 9.8966 9.8966 k = 0.5000 0.2887 0.1492 ( 29694 PWs) bands (ev): -14.9617 -14.9617 -14.9589 -14.9589 -7.8928 -7.8928 -7.3625 -7.3625 -7.2308 -7.2308 -7.1850 -7.1850 -7.0781 -7.0781 -6.9375 -6.9375 -3.7423 -3.7423 -3.7342 -3.7342 -2.3566 -2.3566 -2.3294 -2.3294 -2.2869 -2.2869 -2.2734 -2.2734 0.3458 0.3458 0.4670 0.4670 1.1961 1.1961 1.3424 1.3424 1.6131 1.6131 1.8774 1.8774 2.0729 2.0729 2.1653 2.1653 2.3185 2.3185 2.3664 2.3664 2.4468 2.4468 2.6298 2.6298 2.8477 2.8477 2.9141 2.9141 3.0689 3.0689 3.5762 3.5762 3.8246 3.8246 3.8688 3.8688 4.0245 4.0245 4.0639 4.0639 4.2642 4.2642 4.3467 4.3467 4.3745 4.3745 4.5127 4.5127 5.0241 5.0241 5.1151 5.1151 5.2027 5.2027 5.6831 5.6831 8.0288 8.0288 9.3306 9.3306 9.4884 9.4884 9.6584 9.6584 9.8719 9.8719 9.9018 9.9018 k = 0.5000 0.2887 0.1243 ( 29678 PWs) bands (ev): -14.9618 -14.9618 -14.9589 -14.9589 -7.9002 -7.9002 -7.3641 -7.3641 -7.2344 -7.2344 -7.1759 -7.1759 -7.0741 -7.0741 -6.9338 -6.9338 -3.7428 -3.7428 -3.7344 -3.7344 -2.3578 -2.3578 -2.3295 -2.3295 -2.2865 -2.2865 -2.2731 -2.2731 0.3409 0.3409 0.4520 0.4520 1.1922 1.1922 1.3584 1.3584 1.6118 1.6118 1.8924 1.8924 2.0661 2.0661 2.1627 2.1627 2.3324 2.3324 2.3648 2.3648 2.4684 2.4684 2.6303 2.6303 2.8183 2.8183 2.8832 2.8832 3.0598 3.0598 3.6022 3.6022 3.8304 3.8304 3.8575 3.8575 4.0200 4.0200 4.0562 4.0562 4.2687 4.2687 4.3476 4.3476 4.3707 4.3707 4.5138 4.5138 5.0293 5.0293 5.1158 5.1158 5.1982 5.1982 5.6959 5.6959 8.0036 8.0036 9.3768 9.3768 9.4536 9.4536 9.6655 9.6655 9.8543 9.8543 9.9163 9.9163 k = 0.5000 0.2887 0.0995 ( 29692 PWs) bands (ev): -14.9618 -14.9618 -14.9589 -14.9589 -7.9062 -7.9062 -7.3655 -7.3655 -7.2374 -7.2374 -7.1682 -7.1682 -7.0707 -7.0707 -6.9308 -6.9308 -3.7432 -3.7432 -3.7346 -3.7346 -2.3588 -2.3588 -2.3295 -2.3295 -2.2862 -2.2862 -2.2729 -2.2729 0.3369 0.3369 0.4391 0.4391 1.1892 1.1892 1.3735 1.3735 1.6090 1.6090 1.9091 1.9091 2.0574 2.0574 2.1603 2.1603 2.3037 2.3037 2.4092 2.4092 2.4898 2.4898 2.6292 2.6292 2.7924 2.7924 2.8506 2.8506 3.0522 3.0522 3.6259 3.6259 3.8222 3.8222 3.8592 3.8592 4.0162 4.0162 4.0496 4.0496 4.2733 4.2733 4.3484 4.3484 4.3666 4.3666 4.5147 4.5147 5.0331 5.0331 5.1165 5.1165 5.1946 5.1946 5.7066 5.7066 7.9826 7.9826 9.4183 9.4183 9.4281 9.4281 9.6712 9.6712 9.8418 9.8418 9.9326 9.9326 k = 0.5000 0.2887 0.0746 ( 29690 PWs) bands (ev): -14.9619 -14.9619 -14.9589 -14.9589 -7.9109 -7.9109 -7.3666 -7.3666 -7.2398 -7.2398 -7.1622 -7.1622 -7.0680 -7.0680 -6.9285 -6.9285 -3.7435 -3.7435 -3.7347 -3.7347 -2.3596 -2.3596 -2.3296 -2.3296 -2.2859 -2.2859 -2.2727 -2.2727 0.3338 0.3338 0.4288 0.4288 1.1870 1.1870 1.3868 1.3868 1.6055 1.6055 1.9267 1.9267 2.0467 2.0467 2.1581 2.1581 2.2805 2.2805 2.4514 2.4514 2.5099 2.5099 2.6264 2.6264 2.7707 2.7707 2.8180 2.8180 3.0460 3.0460 3.6468 3.6468 3.8084 3.8084 3.8657 3.8657 4.0133 4.0133 4.0444 4.0444 4.2777 4.2777 4.3491 4.3491 4.3626 4.3626 4.5153 4.5153 5.0358 5.0358 5.1172 5.1172 5.1919 5.1919 5.7151 5.7151 7.9660 7.9660 9.4001 9.4001 9.4642 9.4642 9.6748 9.6748 9.8340 9.8340 9.9548 9.9548 k = 0.5000 0.2887 0.0497 ( 29714 PWs) bands (ev): -14.9619 -14.9619 -14.9589 -14.9589 -7.9143 -7.9143 -7.3675 -7.3675 -7.2414 -7.2414 -7.1578 -7.1578 -7.0661 -7.0661 -6.9268 -6.9268 -3.7438 -3.7438 -3.7348 -3.7348 -2.3601 -2.3601 -2.3297 -2.3297 -2.2857 -2.2857 -2.2725 -2.2725 0.3316 0.3316 0.4212 0.4212 1.1855 1.1855 1.3974 1.3974 1.6021 1.6021 1.9444 1.9444 2.0344 2.0344 2.1561 2.1561 2.2637 2.2637 2.4888 2.4888 2.5271 2.5271 2.6223 2.6223 2.7538 2.7538 2.7884 2.7884 3.0414 3.0414 3.6639 3.6639 3.7954 3.7954 3.8713 3.8713 4.0112 4.0112 4.0406 4.0406 4.2815 4.2815 4.3498 4.3498 4.3591 4.3591 4.5158 4.5158 5.0374 5.0374 5.1178 5.1178 5.1899 5.1899 5.7212 5.7212 7.9540 7.9540 9.3833 9.3833 9.4974 9.4974 9.6767 9.6767 9.8300 9.8300 9.9858 9.9858 k = 0.5000 0.2887 0.0249 ( 29700 PWs) bands (ev): -14.9619 -14.9619 -14.9589 -14.9589 -7.9164 -7.9164 -7.3680 -7.3680 -7.2424 -7.2424 -7.1551 -7.1551 -7.0650 -7.0650 -6.9258 -6.9258 -3.7439 -3.7439 -3.7349 -3.7349 -2.3605 -2.3605 -2.3297 -2.3297 -2.2856 -2.2856 -2.2724 -2.2724 0.3302 0.3302 0.4166 0.4166 1.1846 1.1846 1.4043 1.4043 1.5996 1.5996 1.9599 1.9599 2.0222 2.0222 2.1547 2.1547 2.2536 2.2536 2.5174 2.5174 2.5385 2.5385 2.6180 2.6180 2.7422 2.7422 2.7669 2.7669 3.0385 3.0385 3.6759 3.6759 3.7858 3.7858 3.8748 3.8748 4.0099 4.0099 4.0384 4.0384 4.2841 4.2841 4.3506 4.3506 4.3563 4.3563 4.5161 4.5161 5.0383 5.0383 5.1182 5.1182 5.1888 5.1888 5.7250 5.7250 7.9468 7.9468 9.3731 9.3731 9.5191 9.5191 9.6775 9.6775 9.8283 9.8283 10.0252 10.0252 k = 0.5000 0.2887-0.0000 ( 29696 PWs) bands (ev): -14.9619 -14.9619 -14.9589 -14.9589 -7.9170 -7.9170 -7.3682 -7.3682 -7.2428 -7.2428 -7.1543 -7.1543 -7.0646 -7.0646 -6.9254 -6.9254 -3.7440 -3.7440 -3.7349 -3.7349 -2.3606 -2.3606 -2.3297 -2.3297 -2.2855 -2.2855 -2.2724 -2.2724 0.3298 0.3298 0.4150 0.4150 1.1843 1.1843 1.4067 1.4067 1.5987 1.5987 1.9672 1.9672 2.0161 2.0161 2.1542 2.1542 2.2502 2.2502 2.5296 2.5296 2.5414 2.5414 2.6161 2.6161 2.7376 2.7376 2.7591 2.7591 3.0376 3.0376 3.6803 3.6803 3.7821 3.7821 3.8760 3.8760 4.0095 4.0095 4.0377 4.0377 4.2850 4.2850 4.3510 4.3510 4.3552 4.3552 4.5162 4.5162 5.0386 5.0386 5.1183 5.1183 5.1885 5.1885 5.7262 5.7262 7.9443 7.9443 9.3696 9.3696 9.5267 9.5267 9.6776 9.6776 9.8279 9.8279 10.0529 10.0529 k = 0.3333 0.5774-0.0000 ( 29682 PWs) bands (ev): -14.9604 -14.9604 -14.9604 -14.9604 -7.9059 -7.9059 -7.3299 -7.3299 -7.3279 -7.3279 -7.1505 -7.1505 -6.9845 -6.9845 -6.9845 -6.9845 -3.7383 -3.7383 -3.7324 -3.7324 -2.3386 -2.3386 -2.3324 -2.3324 -2.2797 -2.2797 -2.2704 -2.2704 0.4033 0.4033 0.4395 0.4395 1.2811 1.2811 1.3752 1.3752 1.6159 1.6159 1.7241 1.7241 2.0430 2.0430 2.1209 2.1209 2.2429 2.2429 2.5531 2.5531 2.6099 2.6099 2.6339 2.6339 2.7233 2.7233 2.8767 2.8767 2.9316 2.9316 3.5158 3.5158 3.6968 3.6968 3.8598 3.8598 4.0083 4.0083 4.0402 4.0402 4.2331 4.2331 4.3477 4.3477 4.3858 4.3858 4.5065 4.5065 5.0668 5.0668 5.1818 5.1818 5.3360 5.3360 5.4187 5.4187 7.8650 7.8650 10.0515 10.0515 10.0540 10.0540 10.1245 10.1245 10.3226 10.3226 10.4174 10.4174 k = 0.3333 0.5774 0.0249 ( 29700 PWs) bands (ev): -14.9604 -14.9604 -14.9604 -14.9604 -7.9052 -7.9052 -7.3297 -7.3297 -7.3277 -7.3277 -7.1514 -7.1514 -6.9849 -6.9849 -6.9848 -6.9848 -3.7383 -3.7383 -3.7324 -3.7324 -2.3385 -2.3385 -2.3323 -2.3323 -2.2797 -2.2797 -2.2705 -2.2705 0.4053 0.4053 0.4399 0.4399 1.2802 1.2802 1.3742 1.3742 1.6155 1.6155 1.7236 1.7236 2.0348 2.0348 2.1317 2.1317 2.2431 2.2431 2.5472 2.5472 2.6082 2.6082 2.6335 2.6335 2.7258 2.7258 2.8814 2.8814 2.9326 2.9326 3.5179 3.5179 3.6954 3.6954 3.8579 3.8579 4.0088 4.0088 4.0398 4.0398 4.2348 4.2348 4.3477 4.3477 4.3858 4.3858 4.5064 4.5064 5.0661 5.0661 5.1805 5.1805 5.3366 5.3366 5.4184 5.4184 7.8683 7.8683 10.0463 10.0463 10.0507 10.0507 10.1114 10.1114 10.3020 10.3020 10.4269 10.4269 k = 0.3333 0.5774 0.0497 ( 29715 PWs) bands (ev): -14.9604 -14.9604 -14.9604 -14.9604 -7.9032 -7.9032 -7.3290 -7.3290 -7.3270 -7.3270 -7.1543 -7.1543 -6.9858 -6.9858 -6.9857 -6.9857 -3.7381 -3.7381 -3.7323 -3.7323 -2.3381 -2.3381 -2.3321 -2.3321 -2.2798 -2.2798 -2.2708 -2.2708 0.4110 0.4110 0.4412 0.4412 1.2774 1.2774 1.3713 1.3713 1.6143 1.6143 1.7222 1.7222 2.0179 2.0179 2.1563 2.1563 2.2434 2.2434 2.5308 2.5308 2.6033 2.6033 2.6322 2.6322 2.7333 2.7333 2.8943 2.8943 2.9359 2.9359 3.5243 3.5243 3.6913 3.6913 3.8523 3.8523 4.0101 4.0101 4.0386 4.0386 4.2396 4.2396 4.3474 4.3474 4.3859 4.3859 4.5061 4.5061 5.0643 5.0643 5.1768 5.1768 5.3383 5.3383 5.4173 5.4173 7.8780 7.8780 10.0316 10.0316 10.0410 10.0410 10.0746 10.0746 10.2619 10.2619 10.4460 10.4460 k = 0.3333 0.5774 0.0746 ( 29691 PWs) bands (ev): -14.9603 -14.9603 -14.9603 -14.9603 -7.8997 -7.8997 -7.3278 -7.3278 -7.3258 -7.3258 -7.1591 -7.1591 -6.9874 -6.9874 -6.9873 -6.9873 -3.7378 -3.7378 -3.7322 -3.7322 -2.3375 -2.3375 -2.3316 -2.3316 -2.2800 -2.2800 -2.2713 -2.2713 0.4203 0.4203 0.4433 0.4433 1.2729 1.2729 1.3667 1.3667 1.6122 1.6122 1.7199 1.7199 2.0000 2.0000 2.1864 2.1864 2.2438 2.2438 2.5069 2.5069 2.5959 2.5959 2.6301 2.6301 2.7453 2.7453 2.9119 2.9119 2.9419 2.9419 3.5347 3.5347 3.6843 3.6843 3.8430 3.8430 4.0123 4.0123 4.0378 4.0378 4.2468 4.2468 4.3471 4.3471 4.3860 4.3860 4.5058 4.5058 5.0612 5.0612 5.1711 5.1711 5.3407 5.3407 5.4154 5.4154 7.8940 7.8940 10.0054 10.0054 10.0244 10.0244 10.0264 10.0264 10.2183 10.2183 10.4720 10.4720 k = 0.3333 0.5774 0.0995 ( 29667 PWs) bands (ev): -14.9603 -14.9603 -14.9603 -14.9603 -7.8949 -7.8949 -7.3262 -7.3262 -7.3242 -7.3242 -7.1657 -7.1657 -6.9895 -6.9895 -6.9895 -6.9895 -3.7374 -3.7374 -3.7320 -3.7320 -2.3366 -2.3366 -2.3310 -2.3310 -2.2802 -2.2802 -2.2720 -2.2720 0.4326 0.4326 0.4468 0.4468 1.2670 1.2670 1.3607 1.3607 1.6091 1.6091 1.7167 1.7167 1.9838 1.9838 2.2179 2.2179 2.2441 2.2441 2.4793 2.4793 2.5866 2.5866 2.6273 2.6273 2.7617 2.7617 2.9298 2.9298 2.9523 2.9523 3.5485 3.5485 3.6741 3.6741 3.8302 3.8302 4.0153 4.0153 4.0381 4.0381 4.2557 4.2557 4.3465 4.3465 4.3861 4.3861 4.5052 4.5052 5.0571 5.0571 5.1637 5.1637 5.3434 5.3434 5.4127 5.4127 7.9164 7.9164 9.9463 9.9463 9.9915 9.9915 10.0082 10.0082 10.1753 10.1753 10.5023 10.5023 k = 0.3333 0.5774 0.1243 ( 29664 PWs) bands (ev): -14.9603 -14.9603 -14.9603 -14.9603 -7.8887 -7.8887 -7.3242 -7.3242 -7.3222 -7.3222 -7.1741 -7.1741 -6.9923 -6.9923 -6.9922 -6.9922 -3.7370 -3.7370 -3.7318 -3.7318 -2.3355 -2.3355 -2.3303 -2.3303 -2.2805 -2.2805 -2.2729 -2.2729 0.4448 0.4448 0.4545 0.4545 1.2600 1.2600 1.3536 1.3536 1.6048 1.6048 1.7127 1.7127 1.9701 1.9701 2.2440 2.2440 2.2475 2.2475 2.4526 2.4526 2.5761 2.5761 2.6238 2.6238 2.7823 2.7823 2.9439 2.9439 2.9690 2.9690 3.5652 3.5652 3.6606 3.6606 3.8146 3.8146 4.0191 4.0191 4.0404 4.0404 4.2653 4.2653 4.3458 4.3458 4.3862 4.3862 4.5044 4.5044 5.0521 5.0521 5.1552 5.1552 5.3460 5.3460 5.4089 5.4089 7.9447 7.9447 9.8732 9.8732 9.9650 9.9650 9.9883 9.9883 10.1344 10.1344 10.5259 10.5261 k = 0.3333 0.5774 0.1492 ( 29649 PWs) bands (ev): -14.9603 -14.9603 -14.9603 -14.9603 -7.8812 -7.8812 -7.3217 -7.3217 -7.3197 -7.3197 -7.1843 -7.1843 -6.9956 -6.9956 -6.9955 -6.9955 -3.7364 -3.7364 -3.7315 -3.7315 -2.3342 -2.3342 -2.3294 -2.3294 -2.2809 -2.2809 -2.2740 -2.2740 0.4515 0.4515 0.4713 0.4713 1.2524 1.2524 1.3460 1.3460 1.5990 1.5990 1.7081 1.7081 1.9589 1.9589 2.2434 2.2434 2.2690 2.2690 2.4334 2.4334 2.5649 2.5649 2.6198 2.6198 2.8069 2.8069 2.9554 2.9554 2.9889 2.9889 3.5841 3.5841 3.6435 3.6435 3.7971 3.7971 4.0236 4.0236 4.0448 4.0448 4.2752 4.2752 4.3449 4.3449 4.3863 4.3863 4.5035 4.5035 5.0464 5.0464 5.1461 5.1461 5.3480 5.3480 5.4040 5.4040 7.9789 7.9789 9.7973 9.7973 9.9396 9.9396 9.9678 9.9678 10.0966 10.0966 10.5303 10.5305 k = 0.3333 0.5774 0.1741 ( 29640 PWs) bands (ev): -14.9602 -14.9602 -14.9602 -14.9602 -7.8723 -7.8723 -7.3188 -7.3188 -7.3169 -7.3169 -7.1962 -7.1962 -6.9994 -6.9994 -6.9994 -6.9994 -3.7358 -3.7358 -3.7312 -3.7312 -2.3327 -2.3327 -2.3284 -2.3284 -2.2812 -2.2812 -2.2752 -2.2752 0.4570 0.4570 0.4925 0.4925 1.2443 1.2443 1.3382 1.3382 1.5918 1.5918 1.7032 1.7032 1.9500 1.9500 2.2424 2.2424 2.2735 2.2735 2.4312 2.4312 2.5534 2.5534 2.6156 2.6156 2.8356 2.8356 2.9665 2.9665 3.0082 3.0082 3.6045 3.6045 3.6228 3.6228 3.7788 3.7788 4.0289 4.0289 4.0513 4.0513 4.2847 4.2847 4.3438 4.3438 4.3864 4.3864 4.5024 4.5024 5.0402 5.0402 5.1368 5.1368 5.3491 5.3491 5.3978 5.3978 8.0186 8.0186 9.7217 9.7217 9.9158 9.9158 9.9479 9.9479 10.0622 10.0622 10.5277 10.5277 k = 0.3333 0.5774 0.1989 ( 29643 PWs) bands (ev): -14.9602 -14.9602 -14.9602 -14.9602 -7.8622 -7.8622 -7.3156 -7.3156 -7.3136 -7.3136 -7.2097 -7.2097 -7.0037 -7.0037 -7.0037 -7.0037 -3.7350 -3.7350 -3.7309 -3.7309 -2.3310 -2.3310 -2.3273 -2.3273 -2.2816 -2.2816 -2.2765 -2.2765 0.4629 0.4629 0.5158 0.5158 1.2363 1.2363 1.3309 1.3309 1.5828 1.5828 1.6983 1.6983 1.9429 1.9429 2.2409 2.2409 2.2588 2.2588 2.4484 2.4484 2.5419 2.5419 2.6116 2.6116 2.8680 2.8680 2.9775 2.9775 3.0257 3.0257 3.5988 3.5988 3.6257 3.6257 3.7605 3.7605 4.0347 4.0347 4.0597 4.0597 4.2937 4.2937 4.3426 4.3426 4.3865 4.3865 4.5010 4.5010 5.0337 5.0337 5.1275 5.1275 5.3490 5.3490 5.3902 5.3902 8.0635 8.0635 9.6484 9.6484 9.8945 9.8945 9.9297 9.9297 10.0314 10.0314 10.5209 10.5209 k = 0.3333 0.5774 0.2238 ( 29631 PWs) bands (ev): -14.9602 -14.9602 -14.9602 -14.9602 -7.8508 -7.8508 -7.3120 -7.3120 -7.3100 -7.3100 -7.2247 -7.2247 -7.0085 -7.0085 -7.0084 -7.0084 -3.7343 -3.7343 -3.7305 -3.7305 -2.3292 -2.3292 -2.3261 -2.3261 -2.2820 -2.2820 -2.2779 -2.2779 0.4695 0.4695 0.5404 0.5404 1.2286 1.2286 1.3245 1.3245 1.5721 1.5721 1.6939 1.6939 1.9369 1.9369 2.2333 2.2333 2.2390 2.2390 2.4761 2.4761 2.5306 2.5306 2.6091 2.6091 2.9039 2.9039 2.9871 2.9871 3.0413 3.0413 3.5719 3.5719 3.6470 3.6470 3.7430 3.7430 4.0411 4.0411 4.0697 4.0697 4.3018 4.3018 4.3414 4.3414 4.3865 4.3865 4.4994 4.4994 5.0273 5.0273 5.1187 5.1187 5.3476 5.3476 5.3811 5.3811 8.1131 8.1131 9.5784 9.5784 9.8763 9.8763 9.9136 9.9136 10.0046 10.0046 10.5111 10.5111 k = 0.3333 0.5774 0.2487 ( 29625 PWs) bands (ev): -14.9601 -14.9601 -14.9601 -14.9601 -7.8382 -7.8382 -7.3080 -7.3080 -7.3061 -7.3061 -7.2412 -7.2412 -7.0136 -7.0136 -7.0136 -7.0136 -3.7335 -3.7335 -3.7301 -3.7301 -2.3273 -2.3273 -2.3248 -2.3248 -2.2825 -2.2825 -2.2794 -2.2794 0.4768 0.4768 0.5655 0.5655 1.2216 1.2216 1.3198 1.3198 1.5595 1.5595 1.6904 1.6904 1.9309 1.9309 2.2045 2.2045 2.2370 2.2370 2.5049 2.5049 2.5197 2.5197 2.6107 2.6107 2.9430 2.9430 2.9929 2.9929 3.0565 3.0565 3.5430 3.5430 3.6677 3.6677 3.7263 3.7263 4.0480 4.0480 4.0808 4.0808 4.3088 4.3088 4.3402 4.3402 4.3864 4.3864 4.4976 4.4976 5.0211 5.0211 5.1106 5.1106 5.3447 5.3447 5.3704 5.3704 8.1669 8.1669 9.5124 9.5124 9.8616 9.8616 9.9004 9.9004 9.9820 9.9820 10.4995 10.4995 k = 0.3333 0.5774 0.2736 ( 29640 PWs) bands (ev): -14.9601 -14.9601 -14.9601 -14.9601 -7.8243 -7.8243 -7.3038 -7.3038 -7.3019 -7.3019 -7.2589 -7.2589 -7.0191 -7.0191 -7.0190 -7.0190 -3.7326 -3.7326 -3.7298 -3.7298 -2.3253 -2.3253 -2.3235 -2.3235 -2.2829 -2.2829 -2.2809 -2.2809 0.4847 0.4847 0.5903 0.5903 1.2156 1.2156 1.3171 1.3171 1.5451 1.5451 1.6884 1.6884 1.9240 1.9240 2.1766 2.1766 2.2352 2.2352 2.5092 2.5092 2.5264 2.5264 2.6212 2.6212 2.9849 2.9849 2.9921 2.9921 3.0734 3.0734 3.5133 3.5133 3.6870 3.6870 3.7108 3.7108 4.0554 4.0554 4.0929 4.0929 4.3142 4.3142 4.3395 4.3395 4.3861 4.3861 4.4956 4.4956 5.0154 5.0154 5.1034 5.1034 5.3404 5.3404 5.3581 5.3581 8.2244 8.2244 9.4508 9.4508 9.8507 9.8507 9.8903 9.8903 9.9637 9.9637 10.4864 10.4864 k = 0.3333 0.5774 0.2984 ( 29631 PWs) bands (ev): -14.9600 -14.9600 -14.9600 -14.9600 -7.8093 -7.8093 -7.2993 -7.2993 -7.2975 -7.2975 -7.2779 -7.2779 -7.0248 -7.0248 -7.0247 -7.0247 -3.7318 -3.7318 -3.7294 -3.7294 -2.3233 -2.3233 -2.3222 -2.3222 -2.2835 -2.2835 -2.2823 -2.2823 0.4933 0.4933 0.6137 0.6137 1.2107 1.2107 1.3169 1.3169 1.5291 1.5291 1.6884 1.6884 1.9149 1.9149 2.1523 2.1523 2.2337 2.2337 2.4992 2.4992 2.5354 2.5354 2.6441 2.6441 2.9828 2.9828 3.0291 3.0291 3.0934 3.0934 3.4836 3.4836 3.6963 3.6963 3.7044 3.7044 4.0632 4.0632 4.1055 4.1055 4.3177 4.3177 4.3397 4.3397 4.3856 4.3856 4.4933 4.4933 5.0104 5.0104 5.0972 5.0972 5.3346 5.3346 5.3444 5.3444 8.2849 8.2849 9.3937 9.3937 9.8435 9.8435 9.8835 9.8835 9.9503 9.9503 10.4708 10.4708 k = 0.3333 0.5774 0.3233 ( 29631 PWs) bands (ev): -14.9600 -14.9600 -14.9600 -14.9600 -7.7932 -7.7932 -7.2981 -7.2981 -7.2947 -7.2947 -7.2928 -7.2928 -7.0307 -7.0307 -7.0306 -7.0306 -3.7309 -3.7309 -3.7290 -3.7290 -2.3213 -2.3213 -2.3208 -2.3208 -2.2846 -2.2845 -2.2831 -2.2831 0.5026 0.5026 0.6350 0.6350 1.2071 1.2071 1.3194 1.3194 1.5115 1.5115 1.6910 1.6910 1.9024 1.9024 2.1333 2.1333 2.2327 2.2327 2.4896 2.4896 2.5349 2.5349 2.6754 2.6754 2.9649 2.9649 3.0752 3.0752 3.1166 3.1166 3.4545 3.4545 3.6828 3.6828 3.7192 3.7192 4.0715 4.0715 4.1185 4.1185 4.3187 4.3187 4.3413 4.3413 4.3849 4.3849 4.4909 4.4909 5.0065 5.0065 5.0922 5.0922 5.3276 5.3276 5.3292 5.3292 8.3477 8.3477 9.3410 9.3410 9.8398 9.8398 9.8795 9.8795 9.9420 9.9420 10.4441 10.4441 k = 0.3333 0.5774 0.3482 ( 29646 PWs) bands (ev): -14.9600 -14.9600 -14.9600 -14.9600 -7.7760 -7.7760 -7.3191 -7.3191 -7.2899 -7.2899 -7.2881 -7.2881 -7.0367 -7.0367 -7.0366 -7.0366 -3.7301 -3.7301 -3.7287 -3.7287 -2.3195 -2.3195 -2.3193 -2.3193 -2.2860 -2.2860 -2.2835 -2.2835 0.5124 0.5124 0.6535 0.6535 1.2051 1.2051 1.3248 1.3248 1.4926 1.4926 1.6967 1.6967 1.8860 1.8860 2.1205 2.1205 2.2324 2.2324 2.4805 2.4805 2.5294 2.5294 2.7091 2.7091 2.9397 2.9397 3.1227 3.1227 3.1426 3.1426 3.4265 3.4265 3.6698 3.6698 3.7308 3.7308 4.0801 4.0801 4.1314 4.1314 4.3174 4.3174 4.3440 4.3440 4.3840 4.3840 4.4884 4.4884 5.0037 5.0037 5.0885 5.0885 5.3127 5.3127 5.3194 5.3194 8.4120 8.4120 9.2928 9.2928 9.8388 9.8388 9.8779 9.8779 9.9394 9.9394 10.3814 10.3814 k = 0.3333 0.5774 0.3730 ( 29667 PWs) bands (ev): -14.9599 -14.9599 -14.9599 -14.9599 -7.7578 -7.7578 -7.3411 -7.3411 -7.2851 -7.2851 -7.2833 -7.2833 -7.0428 -7.0428 -7.0426 -7.0426 -3.7293 -3.7293 -3.7283 -3.7283 -2.3182 -2.3182 -2.3173 -2.3173 -2.2875 -2.2875 -2.2838 -2.2838 0.5227 0.5227 0.6685 0.6685 1.2048 1.2048 1.3329 1.3329 1.4726 1.4726 1.7058 1.7058 1.8662 1.8662 2.1140 2.1140 2.2327 2.2327 2.4718 2.4718 2.5215 2.5215 2.7408 2.7408 2.9101 2.9101 3.1709 3.1709 3.1711 3.1711 3.3996 3.3996 3.6572 3.6572 3.7386 3.7386 4.0891 4.0891 4.1443 4.1443 4.3146 4.3146 4.3473 4.3473 4.3827 4.3827 4.4858 4.4858 5.0023 5.0023 5.0860 5.0860 5.2952 5.2952 5.3104 5.3104 8.4768 8.4768 9.2486 9.2486 9.8394 9.8394 9.8772 9.8772 9.9431 9.9431 10.3089 10.3090 k = 0.3333 0.5774 0.3979 ( 29673 PWs) bands (ev): -14.9599 -14.9599 -14.9599 -14.9599 -7.7386 -7.7386 -7.3638 -7.3638 -7.2803 -7.2803 -7.2785 -7.2785 -7.0487 -7.0487 -7.0485 -7.0485 -3.7285 -3.7285 -3.7280 -3.7280 -2.3170 -2.3170 -2.3155 -2.3155 -2.2889 -2.2889 -2.2841 -2.2841 0.5335 0.5335 0.6799 0.6799 1.2062 1.2062 1.3431 1.3431 1.4519 1.4519 1.7186 1.7186 1.8439 1.8439 2.1130 2.1130 2.2337 2.2337 2.4635 2.4635 2.5120 2.5120 2.7636 2.7636 2.8834 2.8834 3.2008 3.2008 3.2199 3.2199 3.3736 3.3736 3.6445 3.6445 3.7423 3.7423 4.0984 4.0984 4.1569 4.1569 4.3108 4.3108 4.3505 4.3505 4.3812 4.3812 4.4831 4.4831 5.0025 5.0025 5.0847 5.0847 5.2770 5.2770 5.3007 5.3007 8.5411 8.5411 9.2081 9.2081 9.8397 9.8397 9.8756 9.8756 9.9537 9.9537 10.2460 10.2460 k = 0.3333 0.5774 0.4228 ( 29670 PWs) bands (ev): -14.9598 -14.9598 -14.9598 -14.9598 -7.7185 -7.7185 -7.3872 -7.3872 -7.2756 -7.2756 -7.2738 -7.2738 -7.0544 -7.0544 -7.0542 -7.0542 -3.7278 -3.7278 -3.7277 -3.7277 -2.3158 -2.3158 -2.3138 -2.3138 -2.2902 -2.2902 -2.2843 -2.2843 0.5446 0.5446 0.6874 0.6874 1.2094 1.2094 1.3548 1.3548 1.4307 1.4307 1.7351 1.7351 1.8205 1.8205 2.1168 2.1168 2.2353 2.2353 2.4558 2.4558 2.5012 2.5012 2.7628 2.7628 2.8753 2.8753 3.2315 3.2315 3.2685 3.2685 3.3489 3.3489 3.6313 3.6313 3.7416 3.7416 4.1077 4.1077 4.1691 4.1691 4.3062 4.3062 4.3536 4.3536 4.3793 4.3793 4.4805 4.4805 5.0042 5.0042 5.0845 5.0845 5.2583 5.2583 5.2908 5.2908 8.6040 8.6040 9.1709 9.1709 9.8374 9.8374 9.8702 9.8702 9.9716 9.9716 10.1979 10.1979 k = 0.3333 0.5774 0.4476 ( 29670 PWs) bands (ev): -14.9598 -14.9598 -14.9598 -14.9598 -7.6976 -7.6976 -7.4111 -7.4111 -7.2712 -7.2712 -7.2694 -7.2694 -7.0598 -7.0598 -7.0596 -7.0596 -3.7275 -3.7275 -3.7272 -3.7272 -2.3148 -2.3148 -2.3123 -2.3123 -2.2914 -2.2914 -2.2845 -2.2845 0.5558 0.5558 0.6915 0.6915 1.2144 1.2144 1.3672 1.3672 1.4094 1.4094 1.7545 1.7545 1.7972 1.7972 2.1246 2.1246 2.2373 2.2373 2.4487 2.4487 2.4891 2.4891 2.7349 2.7349 2.8911 2.8911 3.2607 3.2607 3.3164 3.3164 3.3269 3.3269 3.6172 3.6172 3.7363 3.7363 4.1168 4.1168 4.1809 4.1809 4.3009 4.3009 4.3563 4.3563 4.3773 4.3773 4.4780 4.4780 5.0074 5.0074 5.0853 5.0853 5.2396 5.2396 5.2810 5.2810 8.6644 8.6644 9.1364 9.1364 9.8300 9.8300 9.8588 9.8588 9.9976 9.9976 10.1677 10.1677 k = 0.3333 0.5774 0.4725 ( 29670 PWs) bands (ev): -14.9598 -14.9598 -14.9598 -14.9598 -7.6759 -7.6759 -7.4353 -7.4353 -7.2671 -7.2671 -7.2654 -7.2654 -7.0647 -7.0647 -7.0645 -7.0645 -3.7273 -3.7273 -3.7266 -3.7266 -2.3139 -2.3139 -2.3109 -2.3109 -2.2924 -2.2924 -2.2846 -2.2846 0.5669 0.5669 0.6926 0.6926 1.2211 1.2211 1.3795 1.3795 1.3884 1.3884 1.7724 1.7724 1.7789 1.7789 2.1360 2.1360 2.2395 2.2395 2.4423 2.4423 2.4749 2.4749 2.6963 2.6963 2.9165 2.9165 3.2767 3.2767 3.3189 3.3189 3.3629 3.3629 3.6018 3.6018 3.7266 3.7266 4.1254 4.1254 4.1923 4.1923 4.2950 4.2950 4.3587 4.3587 4.3751 4.3751 4.4757 4.4757 5.0120 5.0120 5.0868 5.0868 5.2214 5.2214 5.2716 5.2716 8.7216 8.7216 9.1040 9.1040 9.8165 9.8165 9.8413 9.8413 10.0319 10.0319 10.1555 10.1555 k = 0.3333 0.5774 0.4974 ( 29688 PWs) bands (ev): -14.9598 -14.9598 -14.9598 -14.9598 -7.6535 -7.6535 -7.4599 -7.4599 -7.2635 -7.2635 -7.2618 -7.2618 -7.0690 -7.0690 -7.0687 -7.0687 -3.7271 -3.7271 -3.7262 -3.7262 -2.3131 -2.3131 -2.3098 -2.3098 -2.2933 -2.2933 -2.2847 -2.2847 0.5776 0.5776 0.6912 0.6912 1.2295 1.2295 1.3679 1.3679 1.3908 1.3908 1.7548 1.7548 1.7987 1.7987 2.1505 2.1505 2.2417 2.2417 2.4368 2.4368 2.4581 2.4581 2.6578 2.6578 2.9435 2.9435 3.2642 3.2642 3.3398 3.3398 3.4073 3.4073 3.5851 3.5851 3.7129 3.7129 4.1332 4.1332 4.2030 4.2030 4.2887 4.2887 4.3607 4.3607 4.3729 4.3729 4.4738 4.4738 5.0177 5.0177 5.0887 5.0887 5.2043 5.2043 5.2631 5.2631 8.7747 8.7747 9.0731 9.0731 9.7988 9.7988 9.8203 9.8203 10.0749 10.0749 10.1582 10.1582 k = 0.3333 0.5774 0.5222 ( 29706 PWs) bands (ev): -14.9597 -14.9597 -14.9597 -14.9597 -7.6305 -7.6305 -7.4846 -7.4846 -7.2606 -7.2606 -7.2588 -7.2588 -7.0725 -7.0725 -7.0722 -7.0722 -3.7269 -3.7269 -3.7258 -3.7258 -2.3125 -2.3125 -2.3089 -2.3089 -2.2940 -2.2940 -2.2848 -2.2848 0.5875 0.5875 0.6883 0.6883 1.2392 1.2392 1.3485 1.3485 1.4005 1.4005 1.7382 1.7382 1.8190 1.8190 2.1678 2.1678 2.2437 2.2437 2.4323 2.4323 2.4379 2.4379 2.6249 2.6249 2.9689 2.9689 3.2446 3.2446 3.3680 3.3680 3.4485 3.4485 3.5674 3.5674 3.6959 3.6959 4.1398 4.1398 4.2130 4.2130 4.2821 4.2821 4.3622 4.3622 4.3710 4.3710 4.4721 4.4721 5.0238 5.0238 5.0908 5.0908 5.1890 5.1890 5.2559 5.2559 8.8234 8.8234 9.0428 9.0428 9.7805 9.7805 9.8000 9.8000 10.1255 10.1255 10.1712 10.1712 k = 0.3333 0.5774 0.5471 ( 29706 PWs) bands (ev): -14.9597 -14.9597 -14.9597 -14.9597 -7.6070 -7.6070 -7.5094 -7.5094 -7.2583 -7.2583 -7.2566 -7.2566 -7.0752 -7.0752 -7.0749 -7.0749 -3.7268 -3.7268 -3.7255 -3.7255 -2.3121 -2.3121 -2.3083 -2.3083 -2.2945 -2.2945 -2.2848 -2.2848 0.5957 0.5957 0.6847 0.6847 1.2498 1.2498 1.3309 1.3309 1.4081 1.4081 1.7256 1.7256 1.8355 1.8355 2.1862 2.1862 2.2454 2.2454 2.4158 2.4158 2.4289 2.4289 2.6009 2.6009 2.9902 2.9902 3.2267 3.2267 3.3946 3.3946 3.4845 3.4845 3.5496 3.5496 3.6773 3.6773 4.1448 4.1448 4.2218 4.2218 4.2758 4.2758 4.3634 4.3634 4.3694 4.3694 4.4709 4.4709 5.0296 5.0296 5.0925 5.0925 5.1765 5.1765 5.2503 5.2503 8.8676 8.8676 9.0125 9.0125 9.7651 9.7651 9.7834 9.7834 10.1762 10.1762 10.1905 10.1905 k = 0.3333 0.5774 0.5720 ( 29697 PWs) bands (ev): -14.9597 -14.9597 -14.9597 -14.9597 -7.5831 -7.5831 -7.5341 -7.5341 -7.2569 -7.2569 -7.2552 -7.2552 -7.0768 -7.0768 -7.0765 -7.0765 -3.7268 -3.7268 -3.7253 -3.7253 -2.3118 -2.3118 -2.3079 -2.3079 -2.2948 -2.2948 -2.2849 -2.2849 0.6014 0.6014 0.6818 0.6818 1.2596 1.2596 1.3168 1.3168 1.4128 1.4128 1.7176 1.7176 1.8463 1.8463 2.2018 2.2018 2.2464 2.2464 2.3968 2.3968 2.4268 2.4268 2.5868 2.5868 3.0050 3.0050 3.2139 3.2139 3.4153 3.4153 3.5114 3.5114 3.5346 3.5346 3.6608 3.6608 4.1479 4.1479 4.2284 4.2284 4.2706 4.2706 4.3640 4.3640 4.3684 4.3684 4.4702 4.4702 5.0338 5.0338 5.0938 5.0938 5.1683 5.1683 5.2468 5.2468 8.9068 8.9068 8.9817 8.9817 9.7549 9.7549 9.7728 9.7728 10.2053 10.2053 10.2114 10.2114 k = 0.3333 0.5774 0.5968 ( 29712 PWs) bands (ev): -14.9597 -14.9597 -14.9597 -14.9597 -7.5595 -7.5595 -7.5579 -7.5579 -7.2565 -7.2565 -7.2547 -7.2547 -7.0774 -7.0774 -7.0770 -7.0770 -3.7267 -3.7267 -3.7253 -3.7253 -2.3117 -2.3117 -2.3077 -2.3077 -2.2949 -2.2949 -2.2849 -2.2849 0.6034 0.6034 0.6806 0.6806 1.2642 1.2642 1.3108 1.3108 1.4145 1.4145 1.7149 1.7149 1.8500 1.8500 2.2083 2.2083 2.2468 2.2468 2.3888 2.3888 2.4261 2.4261 2.5822 2.5822 3.0103 3.0103 3.2092 3.2092 3.4236 3.4236 3.5221 3.5221 3.5282 3.5282 3.6536 3.6536 4.1490 4.1490 4.2310 4.2310 4.2685 4.2685 4.3642 4.3642 4.3680 4.3680 4.4699 4.4699 5.0354 5.0354 5.0942 5.0942 5.1653 5.1653 5.2457 5.2457 8.9332 8.9332 8.9582 8.9582 9.7514 9.7514 9.7691 9.7691 10.2175 10.2175 10.2235 10.2235 Writing output data file CsNiI3.save init_run : 0.87s CPU 1.05s WALL ( 1 calls) electrons : 1026.44s CPU 1041.31s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.04s CPU 0.09s WALL ( 1 calls) Called by electrons: c_bands : 1026.43s CPU 1041.31s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.01s WALL ( 1 calls) newd : 0.31s CPU 0.35s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.30s CPU 0.42s WALL ( 209 calls) cegterg : 912.50s CPU 918.14s WALL ( 560 calls) Called by sum_band: Called by *egterg: h_psi : 586.21s CPU 591.93s WALL ( 10221 calls) s_psi : 43.64s CPU 43.56s WALL ( 10221 calls) g_psi : 1.34s CPU 1.39s WALL ( 9452 calls) cdiaghg : 207.23s CPU 207.41s WALL ( 9661 calls) cegterg:over : 53.00s CPU 53.38s WALL ( 9452 calls) cegterg:upda : 50.42s CPU 50.45s WALL ( 9452 calls) cegterg:last : 25.61s CPU 25.69s WALL ( 1187 calls) cdiaghg:chol : 9.49s CPU 9.45s WALL ( 9661 calls) cdiaghg:inve : 7.05s CPU 6.81s WALL ( 9661 calls) cdiaghg:para : 13.64s CPU 13.43s WALL ( 19322 calls) Called by h_psi: h_psi:vloc : 474.38s CPU 479.60s WALL ( 10221 calls) h_psi:vnl : 110.11s CPU 110.48s WALL ( 10221 calls) add_vuspsi : 60.00s CPU 60.03s WALL ( 10221 calls) General routines calbec : 50.03s CPU 50.41s WALL ( 10221 calls) fft : 0.02s CPU 0.01s WALL ( 15 calls) fftw : 459.26s CPU 464.44s WALL ( 1309688 calls) davcio : 0.18s CPU 8.24s WALL ( 418 calls) Parallel routines fft_scatter : 268.53s CPU 271.46s WALL ( 1309703 calls) PWSCF : 18m39.02s CPU 19m16.48s WALL This run was terminated on: 14:53:53 31Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=