Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 21:15:23 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./SrZnSi.save/ file Zn.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 35 22 6 2097 1102 170 Max 36 23 7 2106 1119 179 Sum 1261 823 241 75595 39847 6327 bravais-lattice index = 14 lattice parameter (alat) = 8.1258 a.u. unit-cell volume = 974.6992 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 3 number of electrons = 52.00 number of Kohn-Sham states= 62 kinetic-energy cutoff = 45.0000 Ry charge density cutoff = 276.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.125822 celldm(2)= 1.000000 celldm(3)= 2.097674 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 2.097674 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.577350 -0.000000 ) b(2) = ( 0.000000 1.154701 -0.000000 ) b(3) = ( 0.000000 0.000000 0.476718 ) PseudoPot. # 1 for Si read from file: /users/gautes/Pseudo/Si.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: b835890840a210e39275f4497a2439d5 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1141 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 Zn read from file: /users/gautes/Pseudo/Zn.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: 8d14e5a70806ad8c3d477ea097862760 Pseudo is Ultrasoft + core correction, Zval = 12.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1201 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 Sr read from file: /users/gautes/Pseudo/Sr.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 971034ad0a3914f6282d12395b0824f8 Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1221 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Si 4.00 28.08550 Si( 1.00) Zn 12.00 65.40900 Zn( 1.00) Sr 10.00 87.62000 Sr( 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 ) ( 1.0488372 ) 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 ) ( 1.0488372 ) 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 ) ( 1.0488372 ) 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 ) ( 1.0488372 ) 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 ) ( 1.0488372 ) 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 ) ( 1.0488372 ) 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 ) ( 1.0488372 ) 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 ) ( 1.0488372 ) 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 ) ( 1.0488372 ) 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 ) ( 1.0488372 ) 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 ) ( 1.0488372 ) 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 ) ( 1.0488372 ) 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= 297 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033670 k( 2) = ( 0.0116279 0.0067134 -0.0000000), wk = 0.0033670 k( 3) = ( 0.0232558 0.0134267 -0.0000000), wk = 0.0033670 k( 4) = ( 0.0348837 0.0201401 -0.0000000), wk = 0.0033670 k( 5) = ( 0.0465116 0.0268535 -0.0000000), wk = 0.0033670 k( 6) = ( 0.0581395 0.0335669 -0.0000000), wk = 0.0033670 k( 7) = ( 0.0697674 0.0402803 -0.0000000), wk = 0.0033670 k( 8) = ( 0.0813954 0.0469936 -0.0000000), wk = 0.0033670 k( 9) = ( 0.0930233 0.0537070 -0.0000000), wk = 0.0033670 k( 10) = ( 0.1046512 0.0604204 -0.0000000), wk = 0.0033670 k( 11) = ( 0.1162791 0.0671338 -0.0000000), wk = 0.0033670 k( 12) = ( 0.1279070 0.0738471 -0.0000000), wk = 0.0033670 k( 13) = ( 0.1395349 0.0805605 -0.0000000), wk = 0.0033670 k( 14) = ( 0.1511628 0.0872739 -0.0000000), wk = 0.0033670 k( 15) = ( 0.1627907 0.0939873 -0.0000000), wk = 0.0033670 k( 16) = ( 0.1744186 0.1007006 -0.0000000), wk = 0.0033670 k( 17) = ( 0.1860465 0.1074140 -0.0000000), wk = 0.0033670 k( 18) = ( 0.1976744 0.1141274 -0.0000000), wk = 0.0033670 k( 19) = ( 0.2093023 0.1208408 -0.0000000), wk = 0.0033670 k( 20) = ( 0.2209302 0.1275541 -0.0000000), wk = 0.0033670 k( 21) = ( 0.2325581 0.1342675 -0.0000000), wk = 0.0033670 k( 22) = ( 0.2441860 0.1409809 -0.0000000), wk = 0.0033670 k( 23) = ( 0.2558140 0.1476943 -0.0000000), wk = 0.0033670 k( 24) = ( 0.2674419 0.1544076 -0.0000000), wk = 0.0033670 k( 25) = ( 0.2790698 0.1611210 -0.0000000), wk = 0.0033670 k( 26) = ( 0.2906977 0.1678344 -0.0000000), wk = 0.0033670 k( 27) = ( 0.3023256 0.1745478 -0.0000000), wk = 0.0033670 k( 28) = ( 0.3139535 0.1812611 -0.0000000), wk = 0.0033670 k( 29) = ( 0.3255814 0.1879745 -0.0000000), wk = 0.0033670 k( 30) = ( 0.3372093 0.1946879 -0.0000000), wk = 0.0033670 k( 31) = ( 0.3488372 0.2014013 -0.0000000), wk = 0.0033670 k( 32) = ( 0.3604651 0.2081146 -0.0000000), wk = 0.0033670 k( 33) = ( 0.3720930 0.2148280 -0.0000000), wk = 0.0033670 k( 34) = ( 0.3837209 0.2215414 -0.0000000), wk = 0.0033670 k( 35) = ( 0.3953488 0.2282548 -0.0000000), wk = 0.0033670 k( 36) = ( 0.4069767 0.2349681 -0.0000000), wk = 0.0033670 k( 37) = ( 0.4186047 0.2416815 -0.0000000), wk = 0.0033670 k( 38) = ( 0.4302326 0.2483949 -0.0000000), wk = 0.0033670 k( 39) = ( 0.4418605 0.2551083 -0.0000000), wk = 0.0033670 k( 40) = ( 0.4534884 0.2618216 -0.0000000), wk = 0.0033670 k( 41) = ( 0.4651163 0.2685350 -0.0000000), wk = 0.0033670 k( 42) = ( 0.4767442 0.2752484 -0.0000000), wk = 0.0033670 k( 43) = ( 0.4883721 0.2819618 -0.0000000), wk = 0.0033670 k( 44) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0033670 k( 45) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0033670 k( 46) = ( 0.4933333 0.3002221 -0.0000000), wk = 0.0033670 k( 47) = ( 0.4866667 0.3117692 -0.0000000), wk = 0.0033670 k( 48) = ( 0.4800000 0.3233162 -0.0000000), wk = 0.0033670 k( 49) = ( 0.4733333 0.3348632 -0.0000000), wk = 0.0033670 k( 50) = ( 0.4666667 0.3464102 -0.0000000), wk = 0.0033670 k( 51) = ( 0.4600000 0.3579572 -0.0000000), wk = 0.0033670 k( 52) = ( 0.4533333 0.3695042 -0.0000000), wk = 0.0033670 k( 53) = ( 0.4466667 0.3810512 -0.0000000), wk = 0.0033670 k( 54) = ( 0.4400000 0.3925982 -0.0000000), wk = 0.0033670 k( 55) = ( 0.4333333 0.4041452 -0.0000000), wk = 0.0033670 k( 56) = ( 0.4266667 0.4156922 -0.0000000), wk = 0.0033670 k( 57) = ( 0.4200000 0.4272392 -0.0000000), wk = 0.0033670 k( 58) = ( 0.4133333 0.4387862 -0.0000000), wk = 0.0033670 k( 59) = ( 0.4066667 0.4503332 -0.0000000), wk = 0.0033670 k( 60) = ( 0.4000000 0.4618802 -0.0000000), wk = 0.0033670 k( 61) = ( 0.3933333 0.4734272 -0.0000000), wk = 0.0033670 k( 62) = ( 0.3866667 0.4849742 -0.0000000), wk = 0.0033670 k( 63) = ( 0.3800000 0.4965212 -0.0000000), wk = 0.0033670 k( 64) = ( 0.3733333 0.5080682 -0.0000000), wk = 0.0033670 k( 65) = ( 0.3666667 0.5196152 -0.0000000), wk = 0.0033670 k( 66) = ( 0.3600000 0.5311622 -0.0000000), wk = 0.0033670 k( 67) = ( 0.3533333 0.5427092 -0.0000000), wk = 0.0033670 k( 68) = ( 0.3466667 0.5542563 -0.0000000), wk = 0.0033670 k( 69) = ( 0.3400000 0.5658033 -0.0000000), wk = 0.0033670 k( 70) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0033670 k( 71) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0033670 k( 72) = ( 0.3265306 0.5655676 -0.0000000), wk = 0.0033670 k( 73) = ( 0.3197279 0.5537850 -0.0000000), wk = 0.0033670 k( 74) = ( 0.3129252 0.5420023 -0.0000000), wk = 0.0033670 k( 75) = ( 0.3061224 0.5302196 -0.0000000), wk = 0.0033670 k( 76) = ( 0.2993197 0.5184370 -0.0000000), wk = 0.0033670 k( 77) = ( 0.2925170 0.5066543 -0.0000000), wk = 0.0033670 k( 78) = ( 0.2857143 0.4948717 -0.0000000), wk = 0.0033670 k( 79) = ( 0.2789116 0.4830890 -0.0000000), wk = 0.0033670 k( 80) = ( 0.2721088 0.4713063 -0.0000000), wk = 0.0033670 k( 81) = ( 0.2653061 0.4595237 -0.0000000), wk = 0.0033670 k( 82) = ( 0.2585034 0.4477410 -0.0000000), wk = 0.0033670 k( 83) = ( 0.2517007 0.4359584 -0.0000000), wk = 0.0033670 k( 84) = ( 0.2448980 0.4241757 -0.0000000), wk = 0.0033670 k( 85) = ( 0.2380952 0.4123931 -0.0000000), wk = 0.0033670 k( 86) = ( 0.2312925 0.4006104 -0.0000000), wk = 0.0033670 k( 87) = ( 0.2244898 0.3888277 -0.0000000), wk = 0.0033670 k( 88) = ( 0.2176871 0.3770451 -0.0000000), wk = 0.0033670 k( 89) = ( 0.2108843 0.3652624 -0.0000000), wk = 0.0033670 k( 90) = ( 0.2040816 0.3534798 -0.0000000), wk = 0.0033670 k( 91) = ( 0.1972789 0.3416971 -0.0000000), wk = 0.0033670 k( 92) = ( 0.1904762 0.3299144 -0.0000000), wk = 0.0033670 k( 93) = ( 0.1836735 0.3181318 -0.0000000), wk = 0.0033670 k( 94) = ( 0.1768707 0.3063491 -0.0000000), wk = 0.0033670 k( 95) = ( 0.1700680 0.2945665 -0.0000000), wk = 0.0033670 k( 96) = ( 0.1632653 0.2827838 -0.0000000), wk = 0.0033670 k( 97) = ( 0.1564626 0.2710012 -0.0000000), wk = 0.0033670 k( 98) = ( 0.1496599 0.2592185 -0.0000000), wk = 0.0033670 k( 99) = ( 0.1428571 0.2474358 -0.0000000), wk = 0.0033670 k( 100) = ( 0.1360544 0.2356532 -0.0000000), wk = 0.0033670 k( 101) = ( 0.1292517 0.2238705 -0.0000000), wk = 0.0033670 k( 102) = ( 0.1224490 0.2120879 -0.0000000), wk = 0.0033670 k( 103) = ( 0.1156463 0.2003052 -0.0000000), wk = 0.0033670 k( 104) = ( 0.1088435 0.1885225 -0.0000000), wk = 0.0033670 k( 105) = ( 0.1020408 0.1767399 -0.0000000), wk = 0.0033670 k( 106) = ( 0.0952381 0.1649572 -0.0000000), wk = 0.0033670 k( 107) = ( 0.0884354 0.1531746 -0.0000000), wk = 0.0033670 k( 108) = ( 0.0816327 0.1413919 -0.0000000), wk = 0.0033670 k( 109) = ( 0.0748299 0.1296092 -0.0000000), wk = 0.0033670 k( 110) = ( 0.0680272 0.1178266 -0.0000000), wk = 0.0033670 k( 111) = ( 0.0612245 0.1060439 -0.0000000), wk = 0.0033670 k( 112) = ( 0.0544218 0.0942613 -0.0000000), wk = 0.0033670 k( 113) = ( 0.0476191 0.0824786 -0.0000000), wk = 0.0033670 k( 114) = ( 0.0408163 0.0706960 -0.0000000), wk = 0.0033670 k( 115) = ( 0.0340136 0.0589133 -0.0000000), wk = 0.0033670 k( 116) = ( 0.0272109 0.0471306 -0.0000000), wk = 0.0033670 k( 117) = ( 0.0204082 0.0353480 -0.0000000), wk = 0.0033670 k( 118) = ( 0.0136054 0.0235653 -0.0000000), wk = 0.0033670 k( 119) = ( 0.0068027 0.0117827 -0.0000000), wk = 0.0033670 k( 120) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033670 k( 121) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033670 k( 122) = ( 0.0000000 0.0000000 0.0132422), wk = 0.0033670 k( 123) = ( 0.0000000 0.0000000 0.0264844), wk = 0.0033670 k( 124) = ( 0.0000000 0.0000000 0.0397265), wk = 0.0033670 k( 125) = ( 0.0000000 0.0000000 0.0529687), wk = 0.0033670 k( 126) = ( 0.0000000 0.0000000 0.0662109), wk = 0.0033670 k( 127) = ( 0.0000000 0.0000000 0.0794531), wk = 0.0033670 k( 128) = ( 0.0000000 0.0000000 0.0926952), wk = 0.0033670 k( 129) = ( 0.0000000 0.0000000 0.1059374), wk = 0.0033670 k( 130) = ( 0.0000000 0.0000000 0.1191796), wk = 0.0033670 k( 131) = ( 0.0000000 0.0000000 0.1324218), wk = 0.0033670 k( 132) = ( 0.0000000 0.0000000 0.1456640), wk = 0.0033670 k( 133) = ( 0.0000000 0.0000000 0.1589061), wk = 0.0033670 k( 134) = ( 0.0000000 0.0000000 0.1721483), wk = 0.0033670 k( 135) = ( 0.0000000 0.0000000 0.1853905), wk = 0.0033670 k( 136) = ( 0.0000000 0.0000000 0.1986327), wk = 0.0033670 k( 137) = ( 0.0000000 0.0000000 0.2118748), wk = 0.0033670 k( 138) = ( 0.0000000 0.0000000 0.2251170), wk = 0.0033670 k( 139) = ( 0.0000000 0.0000000 0.2383592), wk = 0.0033670 k( 140) = ( 0.0000000 0.0000000 0.2383592), wk = 0.0033670 k( 141) = ( 0.0116279 0.0067134 0.2383592), wk = 0.0033670 k( 142) = ( 0.0232558 0.0134267 0.2383592), wk = 0.0033670 k( 143) = ( 0.0348837 0.0201401 0.2383592), wk = 0.0033670 k( 144) = ( 0.0465116 0.0268535 0.2383592), wk = 0.0033670 k( 145) = ( 0.0581395 0.0335669 0.2383592), wk = 0.0033670 k( 146) = ( 0.0697674 0.0402803 0.2383592), wk = 0.0033670 k( 147) = ( 0.0813954 0.0469936 0.2383592), wk = 0.0033670 k( 148) = ( 0.0930233 0.0537070 0.2383592), wk = 0.0033670 k( 149) = ( 0.1046512 0.0604204 0.2383592), wk = 0.0033670 k( 150) = ( 0.1162791 0.0671338 0.2383592), wk = 0.0033670 k( 151) = ( 0.1279070 0.0738471 0.2383592), wk = 0.0033670 k( 152) = ( 0.1395349 0.0805605 0.2383592), wk = 0.0033670 k( 153) = ( 0.1511628 0.0872739 0.2383592), wk = 0.0033670 k( 154) = ( 0.1627907 0.0939873 0.2383592), wk = 0.0033670 k( 155) = ( 0.1744186 0.1007006 0.2383592), wk = 0.0033670 k( 156) = ( 0.1860465 0.1074140 0.2383592), wk = 0.0033670 k( 157) = ( 0.1976744 0.1141274 0.2383592), wk = 0.0033670 k( 158) = ( 0.2093023 0.1208408 0.2383592), wk = 0.0033670 k( 159) = ( 0.2209302 0.1275541 0.2383592), wk = 0.0033670 k( 160) = ( 0.2325581 0.1342675 0.2383592), wk = 0.0033670 k( 161) = ( 0.2441860 0.1409809 0.2383592), wk = 0.0033670 k( 162) = ( 0.2558140 0.1476943 0.2383592), wk = 0.0033670 k( 163) = ( 0.2674419 0.1544076 0.2383592), wk = 0.0033670 k( 164) = ( 0.2790698 0.1611210 0.2383592), wk = 0.0033670 k( 165) = ( 0.2906977 0.1678344 0.2383592), wk = 0.0033670 k( 166) = ( 0.3023256 0.1745478 0.2383592), wk = 0.0033670 k( 167) = ( 0.3139535 0.1812611 0.2383592), wk = 0.0033670 k( 168) = ( 0.3255814 0.1879745 0.2383592), wk = 0.0033670 k( 169) = ( 0.3372093 0.1946879 0.2383592), wk = 0.0033670 k( 170) = ( 0.3488372 0.2014013 0.2383592), wk = 0.0033670 k( 171) = ( 0.3604651 0.2081146 0.2383592), wk = 0.0033670 k( 172) = ( 0.3720930 0.2148280 0.2383592), wk = 0.0033670 k( 173) = ( 0.3837209 0.2215414 0.2383592), wk = 0.0033670 k( 174) = ( 0.3953488 0.2282548 0.2383592), wk = 0.0033670 k( 175) = ( 0.4069767 0.2349681 0.2383592), wk = 0.0033670 k( 176) = ( 0.4186047 0.2416815 0.2383592), wk = 0.0033670 k( 177) = ( 0.4302326 0.2483949 0.2383592), wk = 0.0033670 k( 178) = ( 0.4418605 0.2551083 0.2383592), wk = 0.0033670 k( 179) = ( 0.4534884 0.2618216 0.2383592), wk = 0.0033670 k( 180) = ( 0.4651163 0.2685350 0.2383592), wk = 0.0033670 k( 181) = ( 0.4767442 0.2752484 0.2383592), wk = 0.0033670 k( 182) = ( 0.4883721 0.2819618 0.2383592), wk = 0.0033670 k( 183) = ( 0.5000000 0.2886751 0.2383592), wk = 0.0033670 k( 184) = ( 0.5000000 0.2886751 0.2383592), wk = 0.0033670 k( 185) = ( 0.4933333 0.3002221 0.2383592), wk = 0.0033670 k( 186) = ( 0.4866667 0.3117692 0.2383592), wk = 0.0033670 k( 187) = ( 0.4800000 0.3233162 0.2383592), wk = 0.0033670 k( 188) = ( 0.4733333 0.3348632 0.2383592), wk = 0.0033670 k( 189) = ( 0.4666667 0.3464102 0.2383592), wk = 0.0033670 k( 190) = ( 0.4600000 0.3579572 0.2383592), wk = 0.0033670 k( 191) = ( 0.4533333 0.3695042 0.2383592), wk = 0.0033670 k( 192) = ( 0.4466667 0.3810512 0.2383592), wk = 0.0033670 k( 193) = ( 0.4400000 0.3925982 0.2383592), wk = 0.0033670 k( 194) = ( 0.4333333 0.4041452 0.2383592), wk = 0.0033670 k( 195) = ( 0.4266667 0.4156922 0.2383592), wk = 0.0033670 k( 196) = ( 0.4200000 0.4272392 0.2383592), wk = 0.0033670 k( 197) = ( 0.4133333 0.4387862 0.2383592), wk = 0.0033670 k( 198) = ( 0.4066667 0.4503332 0.2383592), wk = 0.0033670 k( 199) = ( 0.4000000 0.4618802 0.2383592), wk = 0.0033670 k( 200) = ( 0.3933333 0.4734272 0.2383592), wk = 0.0033670 k( 201) = ( 0.3866667 0.4849742 0.2383592), wk = 0.0033670 k( 202) = ( 0.3800000 0.4965212 0.2383592), wk = 0.0033670 k( 203) = ( 0.3733333 0.5080682 0.2383592), wk = 0.0033670 k( 204) = ( 0.3666667 0.5196152 0.2383592), wk = 0.0033670 k( 205) = ( 0.3600000 0.5311622 0.2383592), wk = 0.0033670 k( 206) = ( 0.3533333 0.5427092 0.2383592), wk = 0.0033670 k( 207) = ( 0.3466667 0.5542563 0.2383592), wk = 0.0033670 k( 208) = ( 0.3400000 0.5658033 0.2383592), wk = 0.0033670 k( 209) = ( 0.3333333 0.5773503 0.2383592), wk = 0.0033670 k( 210) = ( 0.3333333 0.5773503 0.2383592), wk = 0.0033670 k( 211) = ( 0.3265306 0.5655676 0.2383592), wk = 0.0033670 k( 212) = ( 0.3197279 0.5537850 0.2383592), wk = 0.0033670 k( 213) = ( 0.3129252 0.5420023 0.2383592), wk = 0.0033670 k( 214) = ( 0.3061224 0.5302196 0.2383592), wk = 0.0033670 k( 215) = ( 0.2993197 0.5184370 0.2383592), wk = 0.0033670 k( 216) = ( 0.2925170 0.5066543 0.2383592), wk = 0.0033670 k( 217) = ( 0.2857143 0.4948717 0.2383592), wk = 0.0033670 k( 218) = ( 0.2789116 0.4830890 0.2383592), wk = 0.0033670 k( 219) = ( 0.2721088 0.4713063 0.2383592), wk = 0.0033670 k( 220) = ( 0.2653061 0.4595237 0.2383592), wk = 0.0033670 k( 221) = ( 0.2585034 0.4477410 0.2383592), wk = 0.0033670 k( 222) = ( 0.2517007 0.4359584 0.2383592), wk = 0.0033670 k( 223) = ( 0.2448980 0.4241757 0.2383592), wk = 0.0033670 k( 224) = ( 0.2380952 0.4123931 0.2383592), wk = 0.0033670 k( 225) = ( 0.2312925 0.4006104 0.2383592), wk = 0.0033670 k( 226) = ( 0.2244898 0.3888277 0.2383592), wk = 0.0033670 k( 227) = ( 0.2176871 0.3770451 0.2383592), wk = 0.0033670 k( 228) = ( 0.2108843 0.3652624 0.2383592), wk = 0.0033670 k( 229) = ( 0.2040816 0.3534798 0.2383592), wk = 0.0033670 k( 230) = ( 0.1972789 0.3416971 0.2383592), wk = 0.0033670 k( 231) = ( 0.1904762 0.3299144 0.2383592), wk = 0.0033670 k( 232) = ( 0.1836735 0.3181318 0.2383592), wk = 0.0033670 k( 233) = ( 0.1768707 0.3063491 0.2383592), wk = 0.0033670 k( 234) = ( 0.1700680 0.2945665 0.2383592), wk = 0.0033670 k( 235) = ( 0.1632653 0.2827838 0.2383592), wk = 0.0033670 k( 236) = ( 0.1564626 0.2710012 0.2383592), wk = 0.0033670 k( 237) = ( 0.1496599 0.2592185 0.2383592), wk = 0.0033670 k( 238) = ( 0.1428571 0.2474358 0.2383592), wk = 0.0033670 k( 239) = ( 0.1360544 0.2356532 0.2383592), wk = 0.0033670 k( 240) = ( 0.1292517 0.2238705 0.2383592), wk = 0.0033670 k( 241) = ( 0.1224490 0.2120879 0.2383592), wk = 0.0033670 k( 242) = ( 0.1156463 0.2003052 0.2383592), wk = 0.0033670 k( 243) = ( 0.1088435 0.1885225 0.2383592), wk = 0.0033670 k( 244) = ( 0.1020408 0.1767399 0.2383592), wk = 0.0033670 k( 245) = ( 0.0952381 0.1649572 0.2383592), wk = 0.0033670 k( 246) = ( 0.0884354 0.1531746 0.2383592), wk = 0.0033670 k( 247) = ( 0.0816327 0.1413919 0.2383592), wk = 0.0033670 k( 248) = ( 0.0748299 0.1296092 0.2383592), wk = 0.0033670 k( 249) = ( 0.0680272 0.1178266 0.2383592), wk = 0.0033670 k( 250) = ( 0.0612245 0.1060439 0.2383592), wk = 0.0033670 k( 251) = ( 0.0544218 0.0942613 0.2383592), wk = 0.0033670 k( 252) = ( 0.0476191 0.0824786 0.2383592), wk = 0.0033670 k( 253) = ( 0.0408163 0.0706960 0.2383592), wk = 0.0033670 k( 254) = ( 0.0340136 0.0589133 0.2383592), wk = 0.0033670 k( 255) = ( 0.0272109 0.0471306 0.2383592), wk = 0.0033670 k( 256) = ( 0.0204082 0.0353480 0.2383592), wk = 0.0033670 k( 257) = ( 0.0136054 0.0235653 0.2383592), wk = 0.0033670 k( 258) = ( 0.0068027 0.0117827 0.2383592), wk = 0.0033670 k( 259) = ( 0.0000000 0.0000000 0.2383592), wk = 0.0033670 k( 260) = ( 0.5000000 0.2886751 0.2383592), wk = 0.0033670 k( 261) = ( 0.5000000 0.2886751 0.2251170), wk = 0.0033670 k( 262) = ( 0.5000000 0.2886751 0.2118748), wk = 0.0033670 k( 263) = ( 0.5000000 0.2886751 0.1986327), wk = 0.0033670 k( 264) = ( 0.5000000 0.2886751 0.1853905), wk = 0.0033670 k( 265) = ( 0.5000000 0.2886751 0.1721483), wk = 0.0033670 k( 266) = ( 0.5000000 0.2886751 0.1589061), wk = 0.0033670 k( 267) = ( 0.5000000 0.2886751 0.1456640), wk = 0.0033670 k( 268) = ( 0.5000000 0.2886751 0.1324218), wk = 0.0033670 k( 269) = ( 0.5000000 0.2886751 0.1191796), wk = 0.0033670 k( 270) = ( 0.5000000 0.2886751 0.1059374), wk = 0.0033670 k( 271) = ( 0.5000000 0.2886751 0.0926952), wk = 0.0033670 k( 272) = ( 0.5000000 0.2886751 0.0794531), wk = 0.0033670 k( 273) = ( 0.5000000 0.2886751 0.0662109), wk = 0.0033670 k( 274) = ( 0.5000000 0.2886751 0.0529687), wk = 0.0033670 k( 275) = ( 0.5000000 0.2886751 0.0397265), wk = 0.0033670 k( 276) = ( 0.5000000 0.2886751 0.0264844), wk = 0.0033670 k( 277) = ( 0.5000000 0.2886751 0.0132422), wk = 0.0033670 k( 278) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0033670 k( 279) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0033670 k( 280) = ( 0.3333333 0.5773503 0.0132422), wk = 0.0033670 k( 281) = ( 0.3333333 0.5773503 0.0264844), wk = 0.0033670 k( 282) = ( 0.3333333 0.5773503 0.0397265), wk = 0.0033670 k( 283) = ( 0.3333333 0.5773503 0.0529687), wk = 0.0033670 k( 284) = ( 0.3333333 0.5773503 0.0662109), wk = 0.0033670 k( 285) = ( 0.3333333 0.5773503 0.0794531), wk = 0.0033670 k( 286) = ( 0.3333333 0.5773503 0.0926952), wk = 0.0033670 k( 287) = ( 0.3333333 0.5773503 0.1059374), wk = 0.0033670 k( 288) = ( 0.3333333 0.5773503 0.1191796), wk = 0.0033670 k( 289) = ( 0.3333333 0.5773503 0.1324218), wk = 0.0033670 k( 290) = ( 0.3333333 0.5773503 0.1456640), wk = 0.0033670 k( 291) = ( 0.3333333 0.5773503 0.1589061), wk = 0.0033670 k( 292) = ( 0.3333333 0.5773503 0.1721483), wk = 0.0033670 k( 293) = ( 0.3333333 0.5773503 0.1853905), wk = 0.0033670 k( 294) = ( 0.3333333 0.5773503 0.1986327), wk = 0.0033670 k( 295) = ( 0.3333333 0.5773503 0.2118748), wk = 0.0033670 k( 296) = ( 0.3333333 0.5773503 0.2251170), wk = 0.0033670 k( 297) = ( 0.3333333 0.5773503 0.2383592), wk = 0.0033670 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033670 k( 2) = ( 0.0116279 -0.0000000 -0.0000000), wk = 0.0033670 k( 3) = ( 0.0232558 -0.0000000 0.0000000), wk = 0.0033670 k( 4) = ( 0.0348837 0.0000000 -0.0000000), wk = 0.0033670 k( 5) = ( 0.0465116 -0.0000000 -0.0000000), wk = 0.0033670 k( 6) = ( 0.0581395 -0.0000000 -0.0000000), wk = 0.0033670 k( 7) = ( 0.0697674 0.0000000 -0.0000000), wk = 0.0033670 k( 8) = ( 0.0813954 -0.0000000 -0.0000000), wk = 0.0033670 k( 9) = ( 0.0930233 -0.0000000 -0.0000000), wk = 0.0033670 k( 10) = ( 0.1046512 -0.0000000 -0.0000000), wk = 0.0033670 k( 11) = ( 0.1162791 -0.0000000 0.0000000), wk = 0.0033670 k( 12) = ( 0.1279070 0.0000000 -0.0000000), wk = 0.0033670 k( 13) = ( 0.1395349 0.0000000 -0.0000000), wk = 0.0033670 k( 14) = ( 0.1511628 0.0000000 0.0000000), wk = 0.0033670 k( 15) = ( 0.1627907 -0.0000000 -0.0000000), wk = 0.0033670 k( 16) = ( 0.1744186 -0.0000000 -0.0000000), wk = 0.0033670 k( 17) = ( 0.1860465 -0.0000000 0.0000000), wk = 0.0033670 k( 18) = ( 0.1976744 0.0000000 0.0000000), wk = 0.0033670 k( 19) = ( 0.2093023 -0.0000000 -0.0000000), wk = 0.0033670 k( 20) = ( 0.2209302 0.0000000 0.0000000), wk = 0.0033670 k( 21) = ( 0.2325581 -0.0000000 0.0000000), wk = 0.0033670 k( 22) = ( 0.2441860 -0.0000000 0.0000000), wk = 0.0033670 k( 23) = ( 0.2558140 0.0000000 0.0000000), wk = 0.0033670 k( 24) = ( 0.2674419 0.0000000 -0.0000000), wk = 0.0033670 k( 25) = ( 0.2790698 -0.0000000 -0.0000000), wk = 0.0033670 k( 26) = ( 0.2906977 -0.0000000 0.0000000), wk = 0.0033670 k( 27) = ( 0.3023256 0.0000000 0.0000000), wk = 0.0033670 k( 28) = ( 0.3139535 0.0000000 0.0000000), wk = 0.0033670 k( 29) = ( 0.3255814 -0.0000000 -0.0000000), wk = 0.0033670 k( 30) = ( 0.3372093 -0.0000000 -0.0000000), wk = 0.0033670 k( 31) = ( 0.3488372 -0.0000000 -0.0000000), wk = 0.0033670 k( 32) = ( 0.3604651 0.0000000 -0.0000000), wk = 0.0033670 k( 33) = ( 0.3720930 -0.0000000 0.0000000), wk = 0.0033670 k( 34) = ( 0.3837209 0.0000000 0.0000000), wk = 0.0033670 k( 35) = ( 0.3953488 0.0000000 0.0000000), wk = 0.0033670 k( 36) = ( 0.4069767 0.0000000 0.0000000), wk = 0.0033670 k( 37) = ( 0.4186047 0.0000000 -0.0000000), wk = 0.0033670 k( 38) = ( 0.4302326 -0.0000000 -0.0000000), wk = 0.0033670 k( 39) = ( 0.4418605 0.0000000 0.0000000), wk = 0.0033670 k( 40) = ( 0.4534884 -0.0000000 0.0000000), wk = 0.0033670 k( 41) = ( 0.4651163 -0.0000000 0.0000000), wk = 0.0033670 k( 42) = ( 0.4767442 -0.0000000 -0.0000000), wk = 0.0033670 k( 43) = ( 0.4883721 -0.0000000 0.0000000), wk = 0.0033670 k( 44) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0033670 k( 45) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0033670 k( 46) = ( 0.4933333 0.0133333 0.0000000), wk = 0.0033670 k( 47) = ( 0.4866667 0.0266667 0.0000000), wk = 0.0033670 k( 48) = ( 0.4800000 0.0400000 0.0000000), wk = 0.0033670 k( 49) = ( 0.4733333 0.0533333 -0.0000000), wk = 0.0033670 k( 50) = ( 0.4666667 0.0666667 -0.0000000), wk = 0.0033670 k( 51) = ( 0.4600000 0.0800000 -0.0000000), wk = 0.0033670 k( 52) = ( 0.4533333 0.0933333 0.0000000), wk = 0.0033670 k( 53) = ( 0.4466667 0.1066667 0.0000000), wk = 0.0033670 k( 54) = ( 0.4400000 0.1200000 -0.0000000), wk = 0.0033670 k( 55) = ( 0.4333333 0.1333333 0.0000000), wk = 0.0033670 k( 56) = ( 0.4266667 0.1466667 -0.0000000), wk = 0.0033670 k( 57) = ( 0.4200000 0.1600000 0.0000000), wk = 0.0033670 k( 58) = ( 0.4133333 0.1733333 0.0000000), wk = 0.0033670 k( 59) = ( 0.4066667 0.1866667 0.0000000), wk = 0.0033670 k( 60) = ( 0.4000000 0.2000000 -0.0000000), wk = 0.0033670 k( 61) = ( 0.3933333 0.2133333 -0.0000000), wk = 0.0033670 k( 62) = ( 0.3866667 0.2266667 0.0000000), wk = 0.0033670 k( 63) = ( 0.3800000 0.2400000 0.0000000), wk = 0.0033670 k( 64) = ( 0.3733333 0.2533333 0.0000000), wk = 0.0033670 k( 65) = ( 0.3666667 0.2666667 0.0000000), wk = 0.0033670 k( 66) = ( 0.3600000 0.2800000 -0.0000000), wk = 0.0033670 k( 67) = ( 0.3533333 0.2933333 0.0000000), wk = 0.0033670 k( 68) = ( 0.3466667 0.3066667 -0.0000000), wk = 0.0033670 k( 69) = ( 0.3400000 0.3200000 0.0000000), wk = 0.0033670 k( 70) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0033670 k( 71) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0033670 k( 72) = ( 0.3265306 0.3265306 0.0000000), wk = 0.0033670 k( 73) = ( 0.3197279 0.3197279 0.0000000), wk = 0.0033670 k( 74) = ( 0.3129252 0.3129252 -0.0000000), wk = 0.0033670 k( 75) = ( 0.3061224 0.3061225 0.0000000), wk = 0.0033670 k( 76) = ( 0.2993197 0.2993197 0.0000000), wk = 0.0033670 k( 77) = ( 0.2925170 0.2925170 -0.0000000), wk = 0.0033670 k( 78) = ( 0.2857143 0.2857143 -0.0000000), wk = 0.0033670 k( 79) = ( 0.2789116 0.2789116 0.0000000), wk = 0.0033670 k( 80) = ( 0.2721088 0.2721088 -0.0000000), wk = 0.0033670 k( 81) = ( 0.2653061 0.2653061 0.0000000), wk = 0.0033670 k( 82) = ( 0.2585034 0.2585034 -0.0000000), wk = 0.0033670 k( 83) = ( 0.2517007 0.2517007 0.0000000), wk = 0.0033670 k( 84) = ( 0.2448980 0.2448980 -0.0000000), wk = 0.0033670 k( 85) = ( 0.2380952 0.2380952 -0.0000000), wk = 0.0033670 k( 86) = ( 0.2312925 0.2312925 0.0000000), wk = 0.0033670 k( 87) = ( 0.2244898 0.2244898 -0.0000000), wk = 0.0033670 k( 88) = ( 0.2176871 0.2176871 -0.0000000), wk = 0.0033670 k( 89) = ( 0.2108843 0.2108844 0.0000000), wk = 0.0033670 k( 90) = ( 0.2040816 0.2040816 -0.0000000), wk = 0.0033670 k( 91) = ( 0.1972789 0.1972789 0.0000000), wk = 0.0033670 k( 92) = ( 0.1904762 0.1904762 -0.0000000), wk = 0.0033670 k( 93) = ( 0.1836735 0.1836735 0.0000000), wk = 0.0033670 k( 94) = ( 0.1768707 0.1768707 0.0000000), wk = 0.0033670 k( 95) = ( 0.1700680 0.1700680 -0.0000000), wk = 0.0033670 k( 96) = ( 0.1632653 0.1632653 0.0000000), wk = 0.0033670 k( 97) = ( 0.1564626 0.1564626 -0.0000000), wk = 0.0033670 k( 98) = ( 0.1496599 0.1496599 -0.0000000), wk = 0.0033670 k( 99) = ( 0.1428571 0.1428571 0.0000000), wk = 0.0033670 k( 100) = ( 0.1360544 0.1360544 -0.0000000), wk = 0.0033670 k( 101) = ( 0.1292517 0.1292517 -0.0000000), wk = 0.0033670 k( 102) = ( 0.1224490 0.1224490 -0.0000000), wk = 0.0033670 k( 103) = ( 0.1156463 0.1156463 0.0000000), wk = 0.0033670 k( 104) = ( 0.1088435 0.1088435 0.0000000), wk = 0.0033670 k( 105) = ( 0.1020408 0.1020408 0.0000000), wk = 0.0033670 k( 106) = ( 0.0952381 0.0952381 -0.0000000), wk = 0.0033670 k( 107) = ( 0.0884354 0.0884354 -0.0000000), wk = 0.0033670 k( 108) = ( 0.0816327 0.0816327 -0.0000000), wk = 0.0033670 k( 109) = ( 0.0748299 0.0748299 -0.0000000), wk = 0.0033670 k( 110) = ( 0.0680272 0.0680272 -0.0000000), wk = 0.0033670 k( 111) = ( 0.0612245 0.0612245 -0.0000000), wk = 0.0033670 k( 112) = ( 0.0544218 0.0544218 0.0000000), wk = 0.0033670 k( 113) = ( 0.0476191 0.0476190 -0.0000000), wk = 0.0033670 k( 114) = ( 0.0408163 0.0408163 -0.0000000), wk = 0.0033670 k( 115) = ( 0.0340136 0.0340136 -0.0000000), wk = 0.0033670 k( 116) = ( 0.0272109 0.0272109 0.0000000), wk = 0.0033670 k( 117) = ( 0.0204082 0.0204082 -0.0000000), wk = 0.0033670 k( 118) = ( 0.0136054 0.0136054 0.0000000), wk = 0.0033670 k( 119) = ( 0.0068027 0.0068027 0.0000000), wk = 0.0033670 k( 120) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033670 k( 121) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033670 k( 122) = ( 0.0000000 0.0000000 0.0277778), wk = 0.0033670 k( 123) = ( 0.0000000 0.0000000 0.0555556), wk = 0.0033670 k( 124) = ( 0.0000000 0.0000000 0.0833333), wk = 0.0033670 k( 125) = ( 0.0000000 0.0000000 0.1111111), wk = 0.0033670 k( 126) = ( 0.0000000 0.0000000 0.1388889), wk = 0.0033670 k( 127) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0033670 k( 128) = ( 0.0000000 0.0000000 0.1944444), wk = 0.0033670 k( 129) = ( 0.0000000 0.0000000 0.2222222), wk = 0.0033670 k( 130) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0033670 k( 131) = ( 0.0000000 0.0000000 0.2777778), wk = 0.0033670 k( 132) = ( 0.0000000 0.0000000 0.3055556), wk = 0.0033670 k( 133) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0033670 k( 134) = ( 0.0000000 0.0000000 0.3611111), wk = 0.0033670 k( 135) = ( 0.0000000 0.0000000 0.3888889), wk = 0.0033670 k( 136) = ( 0.0000000 0.0000000 0.4166667), wk = 0.0033670 k( 137) = ( 0.0000000 0.0000000 0.4444444), wk = 0.0033670 k( 138) = ( 0.0000000 0.0000000 0.4722222), wk = 0.0033670 k( 139) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0033670 k( 140) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0033670 k( 141) = ( 0.0116279 -0.0000000 0.5000000), wk = 0.0033670 k( 142) = ( 0.0232558 -0.0000000 0.5000000), wk = 0.0033670 k( 143) = ( 0.0348837 0.0000000 0.5000000), wk = 0.0033670 k( 144) = ( 0.0465116 -0.0000000 0.5000000), wk = 0.0033670 k( 145) = ( 0.0581395 -0.0000000 0.5000000), wk = 0.0033670 k( 146) = ( 0.0697674 0.0000000 0.5000000), wk = 0.0033670 k( 147) = ( 0.0813954 -0.0000000 0.5000000), wk = 0.0033670 k( 148) = ( 0.0930233 -0.0000000 0.5000000), wk = 0.0033670 k( 149) = ( 0.1046512 -0.0000000 0.5000000), wk = 0.0033670 k( 150) = ( 0.1162791 -0.0000000 0.5000000), wk = 0.0033670 k( 151) = ( 0.1279070 0.0000000 0.5000000), wk = 0.0033670 k( 152) = ( 0.1395349 0.0000000 0.5000000), wk = 0.0033670 k( 153) = ( 0.1511628 0.0000000 0.5000000), wk = 0.0033670 k( 154) = ( 0.1627907 -0.0000000 0.5000000), wk = 0.0033670 k( 155) = ( 0.1744186 -0.0000000 0.5000000), wk = 0.0033670 k( 156) = ( 0.1860465 -0.0000000 0.5000000), wk = 0.0033670 k( 157) = ( 0.1976744 0.0000000 0.5000000), wk = 0.0033670 k( 158) = ( 0.2093023 -0.0000000 0.5000000), wk = 0.0033670 k( 159) = ( 0.2209302 0.0000000 0.5000000), wk = 0.0033670 k( 160) = ( 0.2325581 -0.0000000 0.5000000), wk = 0.0033670 k( 161) = ( 0.2441860 -0.0000000 0.5000000), wk = 0.0033670 k( 162) = ( 0.2558140 0.0000000 0.5000000), wk = 0.0033670 k( 163) = ( 0.2674419 0.0000000 0.5000000), wk = 0.0033670 k( 164) = ( 0.2790698 -0.0000000 0.5000000), wk = 0.0033670 k( 165) = ( 0.2906977 -0.0000000 0.5000000), wk = 0.0033670 k( 166) = ( 0.3023256 0.0000000 0.5000000), wk = 0.0033670 k( 167) = ( 0.3139535 0.0000000 0.5000000), wk = 0.0033670 k( 168) = ( 0.3255814 -0.0000000 0.5000000), wk = 0.0033670 k( 169) = ( 0.3372093 -0.0000000 0.5000000), wk = 0.0033670 k( 170) = ( 0.3488372 -0.0000000 0.5000000), wk = 0.0033670 k( 171) = ( 0.3604651 0.0000000 0.5000000), wk = 0.0033670 k( 172) = ( 0.3720930 -0.0000000 0.5000000), wk = 0.0033670 k( 173) = ( 0.3837209 0.0000000 0.5000000), wk = 0.0033670 k( 174) = ( 0.3953488 0.0000000 0.5000000), wk = 0.0033670 k( 175) = ( 0.4069767 0.0000000 0.5000000), wk = 0.0033670 k( 176) = ( 0.4186047 0.0000000 0.5000000), wk = 0.0033670 k( 177) = ( 0.4302326 -0.0000000 0.5000000), wk = 0.0033670 k( 178) = ( 0.4418605 0.0000000 0.5000000), wk = 0.0033670 k( 179) = ( 0.4534884 -0.0000000 0.5000000), wk = 0.0033670 k( 180) = ( 0.4651163 -0.0000000 0.5000000), wk = 0.0033670 k( 181) = ( 0.4767442 -0.0000000 0.5000000), wk = 0.0033670 k( 182) = ( 0.4883721 -0.0000000 0.5000000), wk = 0.0033670 k( 183) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0033670 k( 184) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0033670 k( 185) = ( 0.4933333 0.0133333 0.5000000), wk = 0.0033670 k( 186) = ( 0.4866667 0.0266667 0.5000000), wk = 0.0033670 k( 187) = ( 0.4800000 0.0400000 0.5000000), wk = 0.0033670 k( 188) = ( 0.4733333 0.0533333 0.5000000), wk = 0.0033670 k( 189) = ( 0.4666667 0.0666667 0.5000000), wk = 0.0033670 k( 190) = ( 0.4600000 0.0800000 0.5000000), wk = 0.0033670 k( 191) = ( 0.4533333 0.0933333 0.5000000), wk = 0.0033670 k( 192) = ( 0.4466667 0.1066667 0.5000000), wk = 0.0033670 k( 193) = ( 0.4400000 0.1200000 0.5000000), wk = 0.0033670 k( 194) = ( 0.4333333 0.1333333 0.5000000), wk = 0.0033670 k( 195) = ( 0.4266667 0.1466667 0.5000000), wk = 0.0033670 k( 196) = ( 0.4200000 0.1600000 0.5000000), wk = 0.0033670 k( 197) = ( 0.4133333 0.1733333 0.5000000), wk = 0.0033670 k( 198) = ( 0.4066667 0.1866667 0.5000000), wk = 0.0033670 k( 199) = ( 0.4000000 0.2000000 0.5000000), wk = 0.0033670 k( 200) = ( 0.3933333 0.2133333 0.5000000), wk = 0.0033670 k( 201) = ( 0.3866667 0.2266667 0.5000000), wk = 0.0033670 k( 202) = ( 0.3800000 0.2400000 0.5000000), wk = 0.0033670 k( 203) = ( 0.3733333 0.2533333 0.5000000), wk = 0.0033670 k( 204) = ( 0.3666667 0.2666667 0.5000000), wk = 0.0033670 k( 205) = ( 0.3600000 0.2800000 0.5000000), wk = 0.0033670 k( 206) = ( 0.3533333 0.2933333 0.5000000), wk = 0.0033670 k( 207) = ( 0.3466667 0.3066667 0.5000000), wk = 0.0033670 k( 208) = ( 0.3400000 0.3200000 0.5000000), wk = 0.0033670 k( 209) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0033670 k( 210) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0033670 k( 211) = ( 0.3265306 0.3265306 0.5000000), wk = 0.0033670 k( 212) = ( 0.3197279 0.3197279 0.5000000), wk = 0.0033670 k( 213) = ( 0.3129252 0.3129252 0.5000000), wk = 0.0033670 k( 214) = ( 0.3061224 0.3061225 0.5000000), wk = 0.0033670 k( 215) = ( 0.2993197 0.2993197 0.5000000), wk = 0.0033670 k( 216) = ( 0.2925170 0.2925170 0.5000000), wk = 0.0033670 k( 217) = ( 0.2857143 0.2857143 0.5000000), wk = 0.0033670 k( 218) = ( 0.2789116 0.2789116 0.5000000), wk = 0.0033670 k( 219) = ( 0.2721088 0.2721088 0.5000000), wk = 0.0033670 k( 220) = ( 0.2653061 0.2653061 0.5000000), wk = 0.0033670 k( 221) = ( 0.2585034 0.2585034 0.5000000), wk = 0.0033670 k( 222) = ( 0.2517007 0.2517007 0.5000000), wk = 0.0033670 k( 223) = ( 0.2448980 0.2448980 0.5000000), wk = 0.0033670 k( 224) = ( 0.2380952 0.2380952 0.5000000), wk = 0.0033670 k( 225) = ( 0.2312925 0.2312925 0.5000000), wk = 0.0033670 k( 226) = ( 0.2244898 0.2244898 0.5000000), wk = 0.0033670 k( 227) = ( 0.2176871 0.2176871 0.5000000), wk = 0.0033670 k( 228) = ( 0.2108843 0.2108844 0.5000000), wk = 0.0033670 k( 229) = ( 0.2040816 0.2040816 0.5000000), wk = 0.0033670 k( 230) = ( 0.1972789 0.1972789 0.5000000), wk = 0.0033670 k( 231) = ( 0.1904762 0.1904762 0.5000000), wk = 0.0033670 k( 232) = ( 0.1836735 0.1836735 0.5000000), wk = 0.0033670 k( 233) = ( 0.1768707 0.1768707 0.5000000), wk = 0.0033670 k( 234) = ( 0.1700680 0.1700680 0.5000000), wk = 0.0033670 k( 235) = ( 0.1632653 0.1632653 0.5000000), wk = 0.0033670 k( 236) = ( 0.1564626 0.1564626 0.5000000), wk = 0.0033670 k( 237) = ( 0.1496599 0.1496599 0.5000000), wk = 0.0033670 k( 238) = ( 0.1428571 0.1428571 0.5000000), wk = 0.0033670 k( 239) = ( 0.1360544 0.1360544 0.5000000), wk = 0.0033670 k( 240) = ( 0.1292517 0.1292517 0.5000000), wk = 0.0033670 k( 241) = ( 0.1224490 0.1224490 0.5000000), wk = 0.0033670 k( 242) = ( 0.1156463 0.1156463 0.5000000), wk = 0.0033670 k( 243) = ( 0.1088435 0.1088435 0.5000000), wk = 0.0033670 k( 244) = ( 0.1020408 0.1020408 0.5000000), wk = 0.0033670 k( 245) = ( 0.0952381 0.0952381 0.5000000), wk = 0.0033670 k( 246) = ( 0.0884354 0.0884354 0.5000000), wk = 0.0033670 k( 247) = ( 0.0816327 0.0816327 0.5000000), wk = 0.0033670 k( 248) = ( 0.0748299 0.0748299 0.5000000), wk = 0.0033670 k( 249) = ( 0.0680272 0.0680272 0.5000000), wk = 0.0033670 k( 250) = ( 0.0612245 0.0612245 0.5000000), wk = 0.0033670 k( 251) = ( 0.0544218 0.0544218 0.5000000), wk = 0.0033670 k( 252) = ( 0.0476191 0.0476190 0.5000000), wk = 0.0033670 k( 253) = ( 0.0408163 0.0408163 0.5000000), wk = 0.0033670 k( 254) = ( 0.0340136 0.0340136 0.5000000), wk = 0.0033670 k( 255) = ( 0.0272109 0.0272109 0.5000000), wk = 0.0033670 k( 256) = ( 0.0204082 0.0204082 0.5000000), wk = 0.0033670 k( 257) = ( 0.0136054 0.0136054 0.5000000), wk = 0.0033670 k( 258) = ( 0.0068027 0.0068027 0.5000000), wk = 0.0033670 k( 259) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0033670 k( 260) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0033670 k( 261) = ( 0.5000000 0.0000000 0.4722222), wk = 0.0033670 k( 262) = ( 0.5000000 0.0000000 0.4444444), wk = 0.0033670 k( 263) = ( 0.5000000 0.0000000 0.4166667), wk = 0.0033670 k( 264) = ( 0.5000000 0.0000000 0.3888889), wk = 0.0033670 k( 265) = ( 0.5000000 0.0000000 0.3611111), wk = 0.0033670 k( 266) = ( 0.5000000 0.0000000 0.3333333), wk = 0.0033670 k( 267) = ( 0.5000000 0.0000000 0.3055556), wk = 0.0033670 k( 268) = ( 0.5000000 0.0000000 0.2777778), wk = 0.0033670 k( 269) = ( 0.5000000 0.0000000 0.2500000), wk = 0.0033670 k( 270) = ( 0.5000000 0.0000000 0.2222222), wk = 0.0033670 k( 271) = ( 0.5000000 0.0000000 0.1944444), wk = 0.0033670 k( 272) = ( 0.5000000 0.0000000 0.1666667), wk = 0.0033670 k( 273) = ( 0.5000000 0.0000000 0.1388889), wk = 0.0033670 k( 274) = ( 0.5000000 0.0000000 0.1111111), wk = 0.0033670 k( 275) = ( 0.5000000 0.0000000 0.0833333), wk = 0.0033670 k( 276) = ( 0.5000000 0.0000000 0.0555556), wk = 0.0033670 k( 277) = ( 0.5000000 0.0000000 0.0277778), wk = 0.0033670 k( 278) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0033670 k( 279) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0033670 k( 280) = ( 0.3333333 0.3333333 0.0277778), wk = 0.0033670 k( 281) = ( 0.3333333 0.3333333 0.0555556), wk = 0.0033670 k( 282) = ( 0.3333333 0.3333333 0.0833333), wk = 0.0033670 k( 283) = ( 0.3333333 0.3333333 0.1111111), wk = 0.0033670 k( 284) = ( 0.3333333 0.3333333 0.1388889), wk = 0.0033670 k( 285) = ( 0.3333333 0.3333333 0.1666667), wk = 0.0033670 k( 286) = ( 0.3333333 0.3333333 0.1944444), wk = 0.0033670 k( 287) = ( 0.3333333 0.3333333 0.2222222), wk = 0.0033670 k( 288) = ( 0.3333333 0.3333333 0.2500000), wk = 0.0033670 k( 289) = ( 0.3333333 0.3333333 0.2777778), wk = 0.0033670 k( 290) = ( 0.3333333 0.3333333 0.3055556), wk = 0.0033670 k( 291) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0033670 k( 292) = ( 0.3333333 0.3333333 0.3611111), wk = 0.0033670 k( 293) = ( 0.3333333 0.3333333 0.3888889), wk = 0.0033670 k( 294) = ( 0.3333333 0.3333333 0.4166667), wk = 0.0033670 k( 295) = ( 0.3333333 0.3333333 0.4444444), wk = 0.0033670 k( 296) = ( 0.3333333 0.3333333 0.4722222), wk = 0.0033670 k( 297) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0033670 Dense grid: 75595 G-vectors FFT dimensions: ( 45, 45, 96) Smooth grid: 39847 G-vectors FFT dimensions: ( 36, 36, 75) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.26 Mb ( 276, 62) NL pseudopotentials 0.43 Mb ( 138, 204) Each V/rho on FFT grid 0.09 Mb ( 6075) Each G-vector array 0.02 Mb ( 2099) G-vector shells 0.01 Mb ( 1010) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.04 Mb ( 276, 248) Each subspace H/S matrix 0.06 Mb ( 62, 62) Each matrix 0.39 Mb ( 204, 2, 62) Check: negative/imaginary core charge= -0.000004 0.000000 The potential is recalculated from file : ./SrZnSi.save/charge-density.dat Starting wfc are 84 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.5 secs Computing kpt #: 2 total cpu time spent up to now is 4.2 secs Computing kpt #: 3 total cpu time spent up to now is 4.9 secs Computing kpt #: 4 total cpu time spent up to now is 5.5 secs Computing kpt #: 5 total cpu time spent up to now is 6.3 secs Computing kpt #: 6 total cpu time spent up to now is 7.1 secs Computing kpt #: 7 total cpu time spent up to now is 7.9 secs Computing kpt #: 8 total cpu time spent up to now is 8.7 secs Computing kpt #: 9 total cpu time spent up to now is 9.5 secs Computing kpt #: 10 total cpu time spent up to now is 10.3 secs Computing kpt #: 11 total cpu time spent up to now is 11.0 secs Computing kpt #: 12 total cpu time spent up to now is 11.8 secs Computing kpt #: 13 total cpu time spent up to now is 12.5 secs Computing kpt #: 14 total cpu time spent up to now is 13.2 secs Computing kpt #: 15 total cpu time spent up to now is 14.0 secs Computing kpt #: 16 total cpu time spent up to now is 14.8 secs Computing kpt #: 17 total cpu time spent up to now is 15.7 secs Computing kpt #: 18 total cpu time spent up to now is 16.5 secs Computing kpt #: 19 total cpu time spent up to now is 17.3 secs Computing kpt #: 20 total cpu time spent up to now is 18.1 secs Computing kpt #: 21 total cpu time spent up to now is 19.0 secs Computing kpt #: 22 total cpu time spent up to now is 19.8 secs Computing kpt #: 23 total cpu time spent up to now is 20.6 secs Computing kpt #: 24 total cpu time spent up to now is 21.3 secs Computing kpt #: 25 total cpu time spent up to now is 22.0 secs Computing kpt #: 26 total cpu time spent up to now is 22.7 secs Computing kpt #: 27 total cpu time spent up to now is 23.3 secs Computing kpt #: 28 total cpu time spent up to now is 24.0 secs Computing kpt #: 29 total cpu time spent up to now is 24.6 secs Computing kpt #: 30 total cpu time spent up to now is 25.2 secs Computing kpt #: 31 total cpu time spent up to now is 25.8 secs Computing kpt #: 32 total cpu time spent up to now is 26.5 secs Computing kpt #: 33 total cpu time spent up to now is 27.1 secs Computing kpt #: 34 total cpu time spent up to now is 27.7 secs Computing kpt #: 35 total cpu time spent up to now is 28.3 secs Computing kpt #: 36 total cpu time spent up to now is 29.0 secs Computing kpt #: 37 total cpu time spent up to now is 29.6 secs Computing kpt #: 38 total cpu time spent up to now is 30.3 secs Computing kpt #: 39 total cpu time spent up to now is 30.9 secs Computing kpt #: 40 total cpu time spent up to now is 31.6 secs Computing kpt #: 41 total cpu time spent up to now is 32.4 secs Computing kpt #: 42 total cpu time spent up to now is 33.1 secs Computing kpt #: 43 total cpu time spent up to now is 33.9 secs Computing kpt #: 44 total cpu time spent up to now is 34.7 secs Computing kpt #: 45 total cpu time spent up to now is 35.5 secs Computing kpt #: 46 total cpu time spent up to now is 36.2 secs Computing kpt #: 47 total cpu time spent up to now is 36.9 secs Computing kpt #: 48 total cpu time spent up to now is 37.6 secs Computing kpt #: 49 total cpu time spent up to now is 38.3 secs Computing kpt #: 50 total cpu time spent up to now is 39.0 secs Computing kpt #: 51 total cpu time spent up to now is 39.8 secs Computing kpt #: 52 total cpu time spent up to now is 40.6 secs Computing kpt #: 53 total cpu time spent up to now is 41.4 secs Computing kpt #: 54 total cpu time spent up to now is 42.2 secs Computing kpt #: 55 total cpu time spent up to now is 43.0 secs Computing kpt #: 56 total cpu time spent up to now is 43.8 secs Computing kpt #: 57 total cpu time spent up to now is 44.5 secs Computing kpt #: 58 total cpu time spent up to now is 45.3 secs Computing kpt #: 59 total cpu time spent up to now is 46.1 secs Computing kpt #: 60 total cpu time spent up to now is 46.7 secs Computing kpt #: 61 total cpu time spent up to now is 47.4 secs Computing kpt #: 62 total cpu time spent up to now is 48.0 secs Computing kpt #: 63 total cpu time spent up to now is 48.7 secs Computing kpt #: 64 total cpu time spent up to now is 49.3 secs Computing kpt #: 65 total cpu time spent up to now is 50.0 secs Computing kpt #: 66 total cpu time spent up to now is 50.6 secs Computing kpt #: 67 total cpu time spent up to now is 51.2 secs Computing kpt #: 68 total cpu time spent up to now is 51.8 secs Computing kpt #: 69 total cpu time spent up to now is 52.4 secs Computing kpt #: 70 total cpu time spent up to now is 53.0 secs Computing kpt #: 71 total cpu time spent up to now is 53.6 secs Computing kpt #: 72 total cpu time spent up to now is 54.2 secs Computing kpt #: 73 total cpu time spent up to now is 54.8 secs Computing kpt #: 74 total cpu time spent up to now is 55.5 secs Computing kpt #: 75 total cpu time spent up to now is 56.1 secs Computing kpt #: 76 total cpu time spent up to now is 56.7 secs Computing kpt #: 77 total cpu time spent up to now is 57.3 secs Computing kpt #: 78 total cpu time spent up to now is 57.9 secs Computing kpt #: 79 total cpu time spent up to now is 58.5 secs Computing kpt #: 80 total cpu time spent up to now is 59.2 secs Computing kpt #: 81 total cpu time spent up to now is 59.8 secs Computing kpt #: 82 total cpu time spent up to now is 60.6 secs Computing kpt #: 83 total cpu time spent up to now is 61.4 secs Computing kpt #: 84 total cpu time spent up to now is 62.2 secs Computing kpt #: 85 total cpu time spent up to now is 63.0 secs Computing kpt #: 86 total cpu time spent up to now is 63.6 secs Computing kpt #: 87 total cpu time spent up to now is 64.3 secs Computing kpt #: 88 total cpu time spent up to now is 64.9 secs Computing kpt #: 89 total cpu time spent up to now is 65.6 secs Computing kpt #: 90 total cpu time spent up to now is 66.2 secs Computing kpt #: 91 total cpu time spent up to now is 66.9 secs Computing kpt #: 92 total cpu time spent up to now is 67.6 secs Computing kpt #: 93 total cpu time spent up to now is 68.2 secs Computing kpt #: 94 total cpu time spent up to now is 68.9 secs Computing kpt #: 95 total cpu time spent up to now is 69.6 secs Computing kpt #: 96 total cpu time spent up to now is 70.3 secs Computing kpt #: 97 total cpu time spent up to now is 71.0 secs Computing kpt #: 98 total cpu time spent up to now is 71.7 secs Computing kpt #: 99 total cpu time spent up to now is 72.4 secs Computing kpt #: 100 total cpu time spent up to now is 73.1 secs Computing kpt #: 101 total cpu time spent up to now is 73.8 secs Computing kpt #: 102 total cpu time spent up to now is 74.5 secs Computing kpt #: 103 total cpu time spent up to now is 75.2 secs Computing kpt #: 104 total cpu time spent up to now is 75.9 secs Computing kpt #: 105 total cpu time spent up to now is 76.6 secs Computing kpt #: 106 total cpu time spent up to now is 77.3 secs Computing kpt #: 107 total cpu time spent up to now is 78.1 secs Computing kpt #: 108 total cpu time spent up to now is 79.0 secs Computing kpt #: 109 total cpu time spent up to now is 79.7 secs Computing kpt #: 110 total cpu time spent up to now is 80.4 secs Computing kpt #: 111 total cpu time spent up to now is 81.1 secs Computing kpt #: 112 total cpu time spent up to now is 81.7 secs Computing kpt #: 113 total cpu time spent up to now is 82.4 secs Computing kpt #: 114 total cpu time spent up to now is 83.0 secs Computing kpt #: 115 total cpu time spent up to now is 83.7 secs Computing kpt #: 116 total cpu time spent up to now is 84.5 secs Computing kpt #: 117 total cpu time spent up to now is 85.2 secs Computing kpt #: 118 total cpu time spent up to now is 85.8 secs Computing kpt #: 119 total cpu time spent up to now is 86.5 secs Computing kpt #: 120 total cpu time spent up to now is 87.2 secs Computing kpt #: 121 total cpu time spent up to now is 87.9 secs Computing kpt #: 122 total cpu time spent up to now is 88.6 secs Computing kpt #: 123 total cpu time spent up to now is 89.4 secs Computing kpt #: 124 total cpu time spent up to now is 90.4 secs Computing kpt #: 125 total cpu time spent up to now is 91.1 secs Computing kpt #: 126 total cpu time spent up to now is 91.7 secs Computing kpt #: 127 total cpu time spent up to now is 92.4 secs Computing kpt #: 128 total cpu time spent up to now is 93.0 secs Computing kpt #: 129 total cpu time spent up to now is 93.6 secs Computing kpt #: 130 total cpu time spent up to now is 94.2 secs Computing kpt #: 131 total cpu time spent up to now is 94.9 secs Computing kpt #: 132 total cpu time spent up to now is 95.6 secs Computing kpt #: 133 total cpu time spent up to now is 96.3 secs Computing kpt #: 134 total cpu time spent up to now is 97.0 secs Computing kpt #: 135 total cpu time spent up to now is 97.6 secs Computing kpt #: 136 total cpu time spent up to now is 98.3 secs Computing kpt #: 137 total cpu time spent up to now is 99.0 secs Computing kpt #: 138 total cpu time spent up to now is 99.8 secs Computing kpt #: 139 total cpu time spent up to now is 100.7 secs Computing kpt #: 140 total cpu time spent up to now is 101.4 secs Computing kpt #: 141 total cpu time spent up to now is 102.2 secs Computing kpt #: 142 total cpu time spent up to now is 102.9 secs Computing kpt #: 143 total cpu time spent up to now is 103.6 secs Computing kpt #: 144 total cpu time spent up to now is 104.4 secs Computing kpt #: 145 total cpu time spent up to now is 105.1 secs Computing kpt #: 146 total cpu time spent up to now is 105.9 secs Computing kpt #: 147 total cpu time spent up to now is 106.6 secs Computing kpt #: 148 total cpu time spent up to now is 107.4 secs Computing kpt #: 149 total cpu time spent up to now is 108.1 secs Computing kpt #: 150 total cpu time spent up to now is 108.9 secs Computing kpt #: 151 total cpu time spent up to now is 109.6 secs Computing kpt #: 152 total cpu time spent up to now is 110.4 secs Computing kpt #: 153 total cpu time spent up to now is 111.2 secs Computing kpt #: 154 total cpu time spent up to now is 111.9 secs Computing kpt #: 155 total cpu time spent up to now is 112.7 secs Computing kpt #: 156 total cpu time spent up to now is 113.4 secs Computing kpt #: 157 total cpu time spent up to now is 114.1 secs Computing kpt #: 158 total cpu time spent up to now is 114.8 secs Computing kpt #: 159 total cpu time spent up to now is 115.6 secs Computing kpt #: 160 total cpu time spent up to now is 116.3 secs Computing kpt #: 161 total cpu time spent up to now is 117.0 secs Computing kpt #: 162 total cpu time spent up to now is 117.7 secs Computing kpt #: 163 total cpu time spent up to now is 118.4 secs Computing kpt #: 164 total cpu time spent up to now is 119.2 secs Computing kpt #: 165 total cpu time spent up to now is 120.0 secs Computing kpt #: 166 total cpu time spent up to now is 120.8 secs Computing kpt #: 167 total cpu time spent up to now is 121.6 secs Computing kpt #: 168 total cpu time spent up to now is 122.3 secs Computing kpt #: 169 total cpu time spent up to now is 123.0 secs Computing kpt #: 170 total cpu time spent up to now is 123.8 secs Computing kpt #: 171 total cpu time spent up to now is 124.6 secs Computing kpt #: 172 total cpu time spent up to now is 125.4 secs Computing kpt #: 173 total cpu time spent up to now is 126.1 secs Computing kpt #: 174 total cpu time spent up to now is 126.9 secs Computing kpt #: 175 total cpu time spent up to now is 127.7 secs Computing kpt #: 176 total cpu time spent up to now is 128.5 secs Computing kpt #: 177 total cpu time spent up to now is 129.2 secs Computing kpt #: 178 total cpu time spent up to now is 130.0 secs Computing kpt #: 179 total cpu time spent up to now is 130.7 secs Computing kpt #: 180 total cpu time spent up to now is 131.5 secs Computing kpt #: 181 total cpu time spent up to now is 132.2 secs Computing kpt #: 182 total cpu time spent up to now is 133.0 secs Computing kpt #: 183 total cpu time spent up to now is 133.7 secs Computing kpt #: 184 total cpu time spent up to now is 134.5 secs Computing kpt #: 185 total cpu time spent up to now is 135.2 secs Computing kpt #: 186 total cpu time spent up to now is 136.0 secs Computing kpt #: 187 total cpu time spent up to now is 136.8 secs Computing kpt #: 188 total cpu time spent up to now is 137.6 secs Computing kpt #: 189 total cpu time spent up to now is 138.4 secs Computing kpt #: 190 total cpu time spent up to now is 139.4 secs Computing kpt #: 191 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 141.5 secs Computing kpt #: 192 total cpu time spent up to now is 142.5 secs Computing kpt #: 193 total cpu time spent up to now is 143.8 secs Computing kpt #: 194 total cpu time spent up to now is 144.9 secs Computing kpt #: 195 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 146.8 secs Computing kpt #: 196 total cpu time spent up to now is 147.7 secs Computing kpt #: 197 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 149.7 secs Computing kpt #: 198 total cpu time spent up to now is 150.6 secs Computing kpt #: 199 total cpu time spent up to now is 151.4 secs Computing kpt #: 200 total cpu time spent up to now is 152.2 secs Computing kpt #: 201 total cpu time spent up to now is 153.0 secs Computing kpt #: 202 total cpu time spent up to now is 153.8 secs Computing kpt #: 203 total cpu time spent up to now is 154.7 secs Computing kpt #: 204 total cpu time spent up to now is 155.5 secs Computing kpt #: 205 total cpu time spent up to now is 156.4 secs Computing kpt #: 206 total cpu time spent up to now is 157.3 secs Computing kpt #: 207 total cpu time spent up to now is 158.1 secs Computing kpt #: 208 total cpu time spent up to now is 159.0 secs Computing kpt #: 209 total cpu time spent up to now is 159.9 secs Computing kpt #: 210 total cpu time spent up to now is 160.8 secs Computing kpt #: 211 total cpu time spent up to now is 161.6 secs Computing kpt #: 212 total cpu time spent up to now is 162.5 secs Computing kpt #: 213 total cpu time spent up to now is 163.3 secs Computing kpt #: 214 total cpu time spent up to now is 164.1 secs Computing kpt #: 215 total cpu time spent up to now is 165.0 secs Computing kpt #: 216 total cpu time spent up to now is 165.8 secs Computing kpt #: 217 total cpu time spent up to now is 166.6 secs Computing kpt #: 218 total cpu time spent up to now is 167.5 secs Computing kpt #: 219 total cpu time spent up to now is 168.5 secs Computing kpt #: 220 total cpu time spent up to now is 169.4 secs Computing kpt #: 221 total cpu time spent up to now is 170.3 secs Computing kpt #: 222 total cpu time spent up to now is 171.3 secs Computing kpt #: 223 total cpu time spent up to now is 172.2 secs Computing kpt #: 224 total cpu time spent up to now is 173.1 secs Computing kpt #: 225 total cpu time spent up to now is 173.9 secs Computing kpt #: 226 total cpu time spent up to now is 174.8 secs Computing kpt #: 227 total cpu time spent up to now is 175.6 secs Computing kpt #: 228 total cpu time spent up to now is 176.4 secs Computing kpt #: 229 total cpu time spent up to now is 177.1 secs Computing kpt #: 230 total cpu time spent up to now is 178.0 secs Computing kpt #: 231 total cpu time spent up to now is 178.7 secs Computing kpt #: 232 total cpu time spent up to now is 179.4 secs Computing kpt #: 233 total cpu time spent up to now is 180.2 secs Computing kpt #: 234 total cpu time spent up to now is 180.9 secs Computing kpt #: 235 total cpu time spent up to now is 181.7 secs Computing kpt #: 236 total cpu time spent up to now is 182.5 secs Computing kpt #: 237 total cpu time spent up to now is 183.2 secs Computing kpt #: 238 total cpu time spent up to now is 184.0 secs Computing kpt #: 239 total cpu time spent up to now is 184.8 secs Computing kpt #: 240 total cpu time spent up to now is 185.6 secs Computing kpt #: 241 total cpu time spent up to now is 186.4 secs Computing kpt #: 242 total cpu time spent up to now is 187.1 secs Computing kpt #: 243 total cpu time spent up to now is 187.8 secs Computing kpt #: 244 total cpu time spent up to now is 188.6 secs Computing kpt #: 245 total cpu time spent up to now is 189.3 secs Computing kpt #: 246 total cpu time spent up to now is 189.9 secs Computing kpt #: 247 total cpu time spent up to now is 190.6 secs Computing kpt #: 248 total cpu time spent up to now is 191.4 secs Computing kpt #: 249 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 193.3 secs Computing kpt #: 250 total cpu time spent up to now is 194.3 secs Computing kpt #: 251 total cpu time spent up to now is 195.1 secs Computing kpt #: 252 total cpu time spent up to now is 195.9 secs Computing kpt #: 253 total cpu time spent up to now is 196.7 secs Computing kpt #: 254 total cpu time spent up to now is 197.5 secs Computing kpt #: 255 total cpu time spent up to now is 198.3 secs Computing kpt #: 256 total cpu time spent up to now is 199.1 secs Computing kpt #: 257 total cpu time spent up to now is 199.9 secs Computing kpt #: 258 total cpu time spent up to now is 200.7 secs Computing kpt #: 259 total cpu time spent up to now is 201.5 secs Computing kpt #: 260 total cpu time spent up to now is 202.2 secs Computing kpt #: 261 total cpu time spent up to now is 203.0 secs Computing kpt #: 262 total cpu time spent up to now is 203.8 secs Computing kpt #: 263 total cpu time spent up to now is 204.6 secs Computing kpt #: 264 total cpu time spent up to now is 205.3 secs Computing kpt #: 265 total cpu time spent up to now is 206.1 secs Computing kpt #: 266 total cpu time spent up to now is 206.8 secs Computing kpt #: 267 total cpu time spent up to now is 207.5 secs Computing kpt #: 268 total cpu time spent up to now is 208.3 secs Computing kpt #: 269 total cpu time spent up to now is 209.0 secs Computing kpt #: 270 total cpu time spent up to now is 209.8 secs Computing kpt #: 271 total cpu time spent up to now is 210.6 secs Computing kpt #: 272 total cpu time spent up to now is 211.5 secs Computing kpt #: 273 total cpu time spent up to now is 212.3 secs Computing kpt #: 274 total cpu time spent up to now is 213.1 secs Computing kpt #: 275 total cpu time spent up to now is 214.0 secs Computing kpt #: 276 total cpu time spent up to now is 214.8 secs Computing kpt #: 277 total cpu time spent up to now is 215.6 secs Computing kpt #: 278 total cpu time spent up to now is 216.5 secs Computing kpt #: 279 total cpu time spent up to now is 217.1 secs Computing kpt #: 280 total cpu time spent up to now is 217.7 secs Computing kpt #: 281 total cpu time spent up to now is 218.3 secs Computing kpt #: 282 total cpu time spent up to now is 218.9 secs Computing kpt #: 283 total cpu time spent up to now is 219.5 secs Computing kpt #: 284 total cpu time spent up to now is 220.1 secs Computing kpt #: 285 total cpu time spent up to now is 220.8 secs Computing kpt #: 286 total cpu time spent up to now is 221.4 secs Computing kpt #: 287 total cpu time spent up to now is 222.0 secs Computing kpt #: 288 total cpu time spent up to now is 222.7 secs Computing kpt #: 289 total cpu time spent up to now is 223.3 secs Computing kpt #: 290 total cpu time spent up to now is 224.0 secs Computing kpt #: 291 total cpu time spent up to now is 224.6 secs Computing kpt #: 292 total cpu time spent up to now is 225.3 secs Computing kpt #: 293 total cpu time spent up to now is 226.1 secs Computing kpt #: 294 total cpu time spent up to now is 226.9 secs Computing kpt #: 295 total cpu time spent up to now is 227.8 secs Computing kpt #: 296 total cpu time spent up to now is 228.7 secs Computing kpt #: 297 total cpu time spent up to now is 229.5 secs ethr = 1.92E-08, avg # of iterations = 23.5 total cpu time spent up to now is 229.5 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4963 PWs) bands (ev): -27.3556 -27.3556 -27.3527 -27.3527 -10.1744 -10.1744 -10.1424 -10.1424 -9.0905 -9.0905 -9.0130 -9.0130 -8.9809 -8.9809 -8.9720 -8.9720 -1.1512 -1.1512 -0.5594 -0.5594 0.4660 0.4660 0.4843 0.4843 0.5965 0.5965 0.6710 0.6710 0.7834 0.7834 0.8025 0.8025 0.9037 0.9037 0.9273 0.9273 0.9511 0.9511 1.1227 1.1227 4.2572 4.2572 7.2651 7.2651 7.6941 7.6941 7.7167 7.7167 8.4576 8.4576 8.4992 8.4992 8.5231 8.5231 9.3405 9.3405 9.8084 9.8084 9.9583 9.9583 9.9829 9.9829 k = 0.0116 0.0067-0.0000 ( 4959 PWs) bands (ev): -27.3556 -27.3556 -27.3527 -27.3527 -10.1744 -10.1744 -10.1424 -10.1424 -9.0905 -9.0905 -9.0130 -9.0130 -8.9810 -8.9810 -8.9722 -8.9722 -1.1498 -1.1498 -0.5588 -0.5588 0.4661 0.4661 0.4843 0.4843 0.5965 0.5965 0.6709 0.6709 0.7836 0.7836 0.8026 0.8026 0.9037 0.9037 0.9272 0.9272 0.9512 0.9512 1.1228 1.1228 4.2593 4.2593 7.2648 7.2648 7.6826 7.6826 7.7099 7.7099 8.4373 8.4373 8.4822 8.4822 8.5269 8.5269 9.3566 9.3566 9.8268 9.8268 9.9687 9.9687 9.9929 9.9929 k = 0.0233 0.0134-0.0000 ( 4953 PWs) bands (ev): -27.3556 -27.3556 -27.3526 -27.3526 -10.1746 -10.1746 -10.1427 -10.1427 -9.0905 -9.0905 -9.0131 -9.0131 -8.9815 -8.9815 -8.9726 -8.9726 -1.1457 -1.1457 -0.5569 -0.5569 0.4665 0.4665 0.4844 0.4844 0.5966 0.5966 0.6706 0.6706 0.7842 0.7842 0.8028 0.8028 0.9037 0.9037 0.9269 0.9269 0.9515 0.9515 1.1232 1.1232 4.2653 4.2653 7.2641 7.2641 7.6375 7.6375 7.7020 7.7020 8.3689 8.3689 8.4506 8.4506 8.5328 8.5328 9.4026 9.4026 9.8657 9.8657 10.0044 10.0044 10.0288 10.0288 k = 0.0349 0.0201-0.0000 ( 4961 PWs) bands (ev): -27.3555 -27.3555 -27.3526 -27.3526 -10.1748 -10.1748 -10.1430 -10.1430 -9.0906 -9.0906 -9.0133 -9.0133 -8.9824 -8.9824 -8.9734 -8.9734 -1.1389 -1.1389 -0.5538 -0.5538 0.4671 0.4671 0.4846 0.4846 0.5968 0.5968 0.6700 0.6700 0.7851 0.7851 0.8031 0.8031 0.9038 0.9038 0.9264 0.9264 0.9521 0.9521 1.1237 1.1237 4.2754 4.2754 7.2628 7.2628 7.5625 7.5625 7.6945 7.6945 8.2612 8.2612 8.4099 8.4099 8.5404 8.5404 9.4726 9.4726 9.8965 9.8965 10.0576 10.0576 10.1132 10.1132 k = 0.0465 0.0269-0.0000 ( 4967 PWs) bands (ev): -27.3554 -27.3554 -27.3525 -27.3525 -10.1751 -10.1751 -10.1436 -10.1436 -9.0906 -9.0906 -9.0136 -9.0136 -8.9835 -8.9835 -8.9744 -8.9744 -1.1293 -1.1293 -0.5495 -0.5495 0.4679 0.4679 0.4849 0.4849 0.5971 0.5971 0.6692 0.6692 0.7864 0.7864 0.8036 0.8036 0.9038 0.9038 0.9258 0.9258 0.9529 0.9529 1.1246 1.1246 4.2895 4.2895 7.2611 7.2611 7.4660 7.4660 7.6850 7.6850 8.1289 8.1289 8.3591 8.3591 8.5504 8.5504 9.5578 9.5578 9.9185 9.9185 10.1218 10.1218 10.2412 10.2412 k = 0.0581 0.0336-0.0000 ( 4967 PWs) bands (ev): -27.3553 -27.3553 -27.3524 -27.3524 -10.1756 -10.1756 -10.1442 -10.1442 -9.0907 -9.0907 -9.0139 -9.0139 -8.9849 -8.9849 -8.9758 -8.9758 -1.1171 -1.1171 -0.5439 -0.5439 0.4690 0.4690 0.4852 0.4852 0.5975 0.5975 0.6683 0.6683 0.7880 0.7880 0.8041 0.8041 0.9039 0.9039 0.9250 0.9250 0.9539 0.9539 1.1257 1.1257 4.3076 4.3076 7.2587 7.2587 7.3541 7.3541 7.6733 7.6733 7.9814 7.9814 8.2997 8.2997 8.5628 8.5628 9.6466 9.6466 9.9446 9.9446 10.1980 10.1980 10.3926 10.3926 k = 0.0698 0.0403-0.0000 ( 4971 PWs) bands (ev): -27.3552 -27.3552 -27.3522 -27.3522 -10.1761 -10.1761 -10.1450 -10.1450 -9.0907 -9.0907 -9.0143 -9.0143 -8.9866 -8.9866 -8.9774 -8.9774 -1.1022 -1.1022 -0.5372 -0.5372 0.4703 0.4703 0.4856 0.4856 0.5979 0.5979 0.6673 0.6673 0.7900 0.7900 0.8049 0.8049 0.9039 0.9039 0.9241 0.9241 0.9551 0.9551 1.1271 1.1271 4.3296 4.3296 7.2290 7.2290 7.2580 7.2580 7.6591 7.6591 7.8249 7.8249 8.2338 8.2338 8.5776 8.5776 9.7232 9.7232 9.9886 9.9886 10.2845 10.2845 10.5167 10.5167 k = 0.0814 0.0470-0.0000 ( 4979 PWs) bands (ev): -27.3550 -27.3550 -27.3521 -27.3521 -10.1767 -10.1767 -10.1460 -10.1460 -9.0908 -9.0908 -9.0149 -9.0149 -8.9885 -8.9885 -8.9793 -8.9793 -1.0846 -1.0846 -0.5292 -0.5292 0.4717 0.4717 0.4861 0.4861 0.5985 0.5985 0.6661 0.6661 0.7922 0.7922 0.8058 0.8058 0.9039 0.9039 0.9232 0.9232 0.9565 0.9565 1.1287 1.1287 4.3555 4.3555 7.0989 7.0989 7.2540 7.2540 7.6405 7.6405 7.6649 7.6649 8.1631 8.1631 8.5946 8.5946 9.7734 9.7734 10.0607 10.0607 10.3785 10.3785 10.4316 10.4316 k = 0.0930 0.0537-0.0000 ( 4983 PWs) bands (ev): -27.3548 -27.3548 -27.3519 -27.3519 -10.1774 -10.1774 -10.1471 -10.1471 -9.0910 -9.0910 -9.0156 -9.0156 -8.9906 -8.9906 -8.9814 -8.9814 -1.0645 -1.0645 -0.5202 -0.5202 0.4734 0.4734 0.4867 0.4867 0.5991 0.5991 0.6649 0.6649 0.7946 0.7946 0.8068 0.8068 0.9040 0.9040 0.9221 0.9221 0.9581 0.9581 1.1307 1.1307 4.3852 4.3852 6.9622 6.9622 7.2506 7.2506 7.4964 7.4964 7.6251 7.6251 8.0892 8.0892 8.6135 8.6135 9.7989 9.7989 10.1545 10.1545 10.3376 10.3376 10.4823 10.4823 k = 0.1047 0.0604-0.0000 ( 4983 PWs) bands (ev): -27.3546 -27.3546 -27.3517 -27.3517 -10.1781 -10.1781 -10.1483 -10.1483 -9.0911 -9.0911 -9.0166 -9.0166 -8.9928 -8.9928 -8.9837 -8.9837 -1.0419 -1.0419 -0.5100 -0.5100 0.4754 0.4754 0.4874 0.4874 0.5998 0.5998 0.6636 0.6636 0.7974 0.7974 0.8081 0.8081 0.9041 0.9041 0.9210 0.9210 0.9599 0.9599 1.1330 1.1330 4.4187 4.4187 6.8214 6.8214 7.2470 7.2470 7.3298 7.3298 7.6041 7.6041 8.0134 8.0134 8.6340 8.6340 9.8100 9.8100 10.2393 10.2393 10.2570 10.2570 10.5894 10.5894 k = 0.1163 0.0671-0.0000 ( 4989 PWs) bands (ev): -27.3544 -27.3544 -27.3515 -27.3515 -10.1790 -10.1790 -10.1496 -10.1496 -9.0913 -9.0913 -9.0178 -9.0178 -8.9950 -8.9950 -8.9862 -8.9862 -1.0168 -1.0168 -0.4987 -0.4987 0.4775 0.4775 0.4881 0.4881 0.6006 0.6006 0.6623 0.6623 0.8003 0.8003 0.8095 0.8095 0.9041 0.9041 0.9198 0.9198 0.9618 0.9618 1.1357 1.1357 4.4558 4.4558 6.6777 6.6777 7.1621 7.1621 7.2435 7.2435 7.5812 7.5812 7.9366 7.9366 8.6556 8.6556 9.8133 9.8133 10.1445 10.1445 10.3449 10.3449 10.7011 10.7011 k = 0.1279 0.0738-0.0000 ( 4989 PWs) bands (ev): -27.3541 -27.3541 -27.3513 -27.3513 -10.1799 -10.1799 -10.1511 -10.1511 -9.0915 -9.0915 -9.0193 -9.0193 -8.9972 -8.9972 -8.9889 -8.9889 -0.9894 -0.9894 -0.4864 -0.4864 0.4798 0.4798 0.4890 0.4890 0.6015 0.6015 0.6610 0.6610 0.8034 0.8034 0.8111 0.8111 0.9042 0.9042 0.9185 0.9185 0.9641 0.9641 1.1388 1.1388 4.4965 4.4965 6.5321 6.5321 6.9952 6.9952 7.2395 7.2395 7.5563 7.5563 7.8598 7.8598 8.6779 8.6779 9.8124 9.8124 10.0461 10.0461 10.4152 10.4152 10.8163 10.8163 k = 0.1395 0.0806-0.0000 ( 4993 PWs) bands (ev): -27.3539 -27.3539 -27.3510 -27.3510 -10.1809 -10.1809 -10.1526 -10.1526 -9.0917 -9.0917 -9.0212 -9.0212 -8.9992 -8.9992 -8.9918 -8.9918 -0.9596 -0.9596 -0.4732 -0.4732 0.4823 0.4823 0.4899 0.4899 0.6025 0.6025 0.6598 0.6598 0.8066 0.8066 0.8129 0.8129 0.9043 0.9043 0.9173 0.9173 0.9665 0.9665 1.1423 1.1423 4.5407 4.5407 6.3852 6.3852 6.8290 6.8290 7.2353 7.2353 7.5292 7.5292 7.7837 7.7837 8.7002 8.7002 9.8090 9.8090 9.9474 9.9474 10.4592 10.4592 10.9341 10.9341 k = 0.1512 0.0873-0.0000 ( 4997 PWs) bands (ev): -27.3536 -27.3536 -27.3507 -27.3507 -10.1820 -10.1820 -10.1543 -10.1543 -9.0920 -9.0920 -9.0236 -9.0236 -9.0010 -9.0010 -8.9948 -8.9948 -0.9276 -0.9276 -0.4590 -0.4590 0.4850 0.4850 0.4910 0.4910 0.6036 0.6036 0.6587 0.6587 0.8099 0.8099 0.8149 0.8149 0.9043 0.9043 0.9161 0.9161 0.9692 0.9692 1.1463 1.1463 4.5884 4.5884 6.2374 6.2374 6.6642 6.6642 7.2311 7.2311 7.4998 7.4998 7.7092 7.7092 8.7216 8.7216 9.8041 9.8041 9.8488 9.8488 10.4777 10.4777 11.0536 11.0536 k = 0.1628 0.0940-0.0000 ( 4997 PWs) bands (ev): -27.3533 -27.3533 -27.3504 -27.3504 -10.1832 -10.1832 -10.1561 -10.1561 -9.0923 -9.0923 -9.0265 -9.0265 -9.0026 -9.0026 -8.9979 -8.9979 -0.8935 -0.8935 -0.4439 -0.4439 0.4878 0.4878 0.4922 0.4922 0.6048 0.6048 0.6577 0.6577 0.8132 0.8132 0.8174 0.8174 0.9043 0.9043 0.9149 0.9149 0.9722 0.9722 1.1508 1.1508 4.6393 4.6393 6.0891 6.0891 6.5011 6.5011 7.2269 7.2269 7.4675 7.4675 7.6372 7.6372 8.7413 8.7413 9.7509 9.7509 9.7987 9.7987 10.4775 10.4775 11.1551 11.1551 k = 0.1744 0.1007-0.0000 ( 4993 PWs) bands (ev): -27.3530 -27.3530 -27.3501 -27.3501 -10.1844 -10.1844 -10.1580 -10.1580 -9.0927 -9.0927 -9.0298 -9.0298 -9.0039 -9.0039 -9.0011 -9.0011 -0.8575 -0.8575 -0.4281 -0.4281 0.4907 0.4907 0.4936 0.4936 0.6062 0.6062 0.6569 0.6569 0.8164 0.8164 0.8202 0.8202 0.9043 0.9043 0.9138 0.9138 0.9755 0.9755 1.1558 1.1558 4.6934 4.6934 5.9407 5.9407 6.3400 6.3400 7.2225 7.2225 7.4314 7.4314 7.5694 7.5694 8.7581 8.7581 9.6540 9.6540 9.7937 9.7937 10.4666 10.4666 11.2049 11.2049 k = 0.1860 0.1074-0.0000 ( 4989 PWs) bands (ev): -27.3527 -27.3527 -27.3498 -27.3498 -10.1857 -10.1857 -10.1599 -10.1599 -9.0932 -9.0932 -9.0334 -9.0334 -9.0050 -9.0050 -9.0043 -9.0043 -0.8195 -0.8195 -0.4116 -0.4116 0.4935 0.4935 0.4953 0.4953 0.6077 0.6077 0.6563 0.6563 0.8194 0.8194 0.8235 0.8235 0.9043 0.9043 0.9128 0.9128 0.9792 0.9792 1.1615 1.1615 4.7505 4.7505 5.7923 5.7923 6.1811 6.1811 7.2182 7.2182 7.3897 7.3897 7.5079 7.5079 8.7710 8.7710 9.5583 9.5583 9.7904 9.7904 10.4517 10.4517 11.2565 11.2565 k = 0.1977 0.1141-0.0000 ( 4977 PWs) bands (ev): -27.3523 -27.3523 -27.3495 -27.3495 -10.1870 -10.1870 -10.1619 -10.1619 -9.0938 -9.0938 -9.0374 -9.0374 -9.0076 -9.0076 -9.0057 -9.0057 -0.7799 -0.7799 -0.3944 -0.3944 0.4959 0.4959 0.4978 0.4978 0.6094 0.6094 0.6560 0.6560 0.8223 0.8223 0.8271 0.8271 0.9041 0.9041 0.9120 0.9120 0.9832 0.9832 1.1679 1.1679 4.8106 4.8106 5.6442 5.6442 6.0248 6.0248 7.2137 7.2137 7.3409 7.3409 7.4546 7.4546 8.7789 8.7789 9.4642 9.4642 9.7898 9.7898 10.4372 10.4372 11.3106 11.3106 k = 0.2093 0.1208-0.0000 ( 4983 PWs) bands (ev): -27.3520 -27.3520 -27.3492 -27.3492 -10.1884 -10.1884 -10.1640 -10.1640 -9.0944 -9.0944 -9.0416 -9.0416 -9.0108 -9.0108 -9.0065 -9.0065 -0.7387 -0.7387 -0.3767 -0.3767 0.4978 0.4978 0.5008 0.5008 0.6112 0.6112 0.6559 0.6559 0.8253 0.8253 0.8309 0.8309 0.9038 0.9038 0.9113 0.9113 0.9877 0.9877 1.1751 1.1751 4.8734 4.8734 5.4966 5.4966 5.8711 5.8711 7.2091 7.2091 7.2856 7.2856 7.4093 7.4093 8.7809 8.7809 9.3716 9.3716 9.7930 9.7930 10.4258 10.4258 11.3671 11.3671 k = 0.2209 0.1276-0.0000 ( 4979 PWs) bands (ev): -27.3516 -27.3516 -27.3488 -27.3488 -10.1898 -10.1898 -10.1661 -10.1661 -9.0952 -9.0952 -9.0459 -9.0459 -9.0140 -9.0140 -9.0071 -9.0071 -0.6961 -0.6961 -0.3585 -0.3585 0.4998 0.4998 0.5040 0.5040 0.6132 0.6132 0.6561 0.6561 0.8283 0.8283 0.8347 0.8347 0.9035 0.9035 0.9109 0.9109 0.9928 0.9928 1.1830 1.1830 4.9389 4.9389 5.3496 5.3496 5.7202 5.7202 7.2027 7.2027 7.2281 7.2281 7.3698 7.3698 8.7762 8.7762 9.2808 9.2808 9.8008 9.8008 10.4195 10.4195 11.4257 11.4257 k = 0.2326 0.1343-0.0000 ( 4977 PWs) bands (ev): -27.3513 -27.3513 -27.3485 -27.3485 -10.1913 -10.1913 -10.1683 -10.1683 -9.0960 -9.0960 -9.0505 -9.0505 -9.0171 -9.0171 -9.0076 -9.0076 -0.6525 -0.6525 -0.3400 -0.3400 0.5020 0.5020 0.5073 0.5073 0.6155 0.6155 0.6567 0.6567 0.8315 0.8315 0.8386 0.8386 0.9031 0.9031 0.9107 0.9107 0.9984 0.9984 1.1919 1.1919 5.0069 5.0069 5.2035 5.2035 5.5723 5.5723 7.1623 7.1623 7.2032 7.2032 7.3338 7.3338 8.7647 8.7647 9.1918 9.1918 9.8137 9.8137 10.4192 10.4192 11.4859 11.4859 k = 0.2442 0.1410-0.0000 ( 4973 PWs) bands (ev): -27.3509 -27.3509 -27.3481 -27.3481 -10.1928 -10.1928 -10.1705 -10.1705 -9.0970 -9.0970 -9.0550 -9.0550 -9.0200 -9.0200 -9.0080 -9.0080 -0.6079 -0.6079 -0.3213 -0.3213 0.5043 0.5043 0.5105 0.5105 0.6181 0.6181 0.6576 0.6576 0.8349 0.8349 0.8425 0.8425 0.9027 0.9027 0.9107 0.9107 1.0048 1.0048 1.2017 1.2017 5.0567 5.0567 5.0788 5.0788 5.4275 5.4275 7.1025 7.1025 7.1978 7.1978 7.2999 7.2999 8.7467 8.7467 9.1047 9.1047 9.8313 9.8313 10.4259 10.4259 11.5471 11.5471 k = 0.2558 0.1477-0.0000 ( 4973 PWs) bands (ev): -27.3506 -27.3506 -27.3478 -27.3478 -10.1943 -10.1943 -10.1727 -10.1727 -9.0980 -9.0980 -9.0597 -9.0597 -9.0229 -9.0229 -9.0084 -9.0084 -0.5627 -0.5627 -0.3024 -0.3024 0.5068 0.5068 0.5136 0.5136 0.6210 0.6210 0.6588 0.6588 0.8383 0.8383 0.8463 0.8463 0.9023 0.9023 0.9108 0.9108 1.0121 1.0121 1.2126 1.2126 4.9139 4.9139 5.1500 5.1500 5.2861 5.2861 7.0431 7.0431 7.1929 7.1929 7.2676 7.2676 8.7229 8.7229 9.0194 9.0194 9.8529 9.8529 10.4400 10.4400 11.6081 11.6081 k = 0.2674 0.1544-0.0000 ( 4967 PWs) bands (ev): -27.3502 -27.3502 -27.3475 -27.3475 -10.1958 -10.1958 -10.1750 -10.1750 -9.0992 -9.0992 -9.0643 -9.0643 -9.0255 -9.0255 -9.0087 -9.0087 -0.5172 -0.5172 -0.2836 -0.2836 0.5094 0.5094 0.5167 0.5167 0.6243 0.6243 0.6605 0.6605 0.8420 0.8420 0.8500 0.8500 0.9020 0.9020 0.9111 0.9111 1.0204 1.0204 1.2246 1.2246 4.7711 4.7711 5.1471 5.1471 5.2252 5.2252 6.9852 6.9852 7.1875 7.1875 7.2369 7.2369 8.6941 8.6941 8.9361 8.9361 9.8773 9.8773 10.4623 10.4623 11.6015 11.6015 k = 0.2791 0.1611-0.0000 ( 4973 PWs) bands (ev): -27.3499 -27.3499 -27.3471 -27.3471 -10.1973 -10.1973 -10.1772 -10.1772 -9.1005 -9.1005 -9.0689 -9.0689 -9.0280 -9.0280 -9.0090 -9.0090 -0.4717 -0.4717 -0.2648 -0.2648 0.5122 0.5122 0.5195 0.5195 0.6280 0.6280 0.6624 0.6624 0.8457 0.8457 0.8536 0.8536 0.9017 0.9017 0.9115 0.9115 1.0299 1.0299 1.2379 1.2379 4.6299 4.6299 5.0126 5.0126 5.3013 5.3013 6.9293 6.9293 7.1800 7.1800 7.2093 7.2093 8.6614 8.6614 8.8547 8.8547 9.9032 9.9032 10.4931 10.4931 11.5233 11.5233 k = 0.2907 0.1678-0.0000 ( 4973 PWs) bands (ev): -27.3495 -27.3495 -27.3468 -27.3468 -10.1989 -10.1989 -10.1794 -10.1794 -9.1020 -9.1020 -9.0734 -9.0734 -9.0303 -9.0303 -9.0093 -9.0093 -0.4266 -0.4266 -0.2462 -0.2462 0.5152 0.5152 0.5222 0.5222 0.6322 0.6322 0.6647 0.6647 0.8495 0.8495 0.8569 0.8569 0.9016 0.9016 0.9120 0.9120 1.0408 1.0408 1.2524 1.2524 4.4903 4.4903 4.8813 4.8813 5.3794 5.3794 6.8756 6.8756 7.1649 7.1649 7.1901 7.1901 8.6259 8.6259 8.7753 8.7753 9.9292 9.9292 10.5328 10.5328 11.4468 11.4468 k = 0.3023 0.1745-0.0000 ( 4965 PWs) bands (ev): -27.3492 -27.3492 -27.3464 -27.3464 -10.2004 -10.2004 -10.1816 -10.1816 -9.1035 -9.1035 -9.0778 -9.0778 -9.0324 -9.0324 -9.0095 -9.0095 -0.3823 -0.3823 -0.2278 -0.2278 0.5184 0.5184 0.5247 0.5247 0.6368 0.6368 0.6674 0.6674 0.8535 0.8535 0.8600 0.8600 0.9017 0.9017 0.9126 0.9126 1.0535 1.0535 1.2683 1.2683 4.3526 4.3526 4.7538 4.7538 5.4589 5.4589 6.8243 6.8243 7.1407 7.1407 7.1807 7.1807 8.5885 8.5885 8.6979 8.6979 9.9542 9.9542 10.5815 10.5815 11.3728 11.3728 k = 0.3140 0.1813-0.0000 ( 4955 PWs) bands (ev): -27.3488 -27.3488 -27.3461 -27.3461 -10.2019 -10.2019 -10.1837 -10.1837 -9.1051 -9.1051 -9.0821 -9.0821 -9.0343 -9.0343 -9.0097 -9.0097 -0.3392 -0.3392 -0.2097 -0.2097 0.5216 0.5216 0.5269 0.5269 0.6420 0.6420 0.6703 0.6703 0.8575 0.8575 0.8629 0.8629 0.9021 0.9021 0.9133 0.9133 1.0683 1.0683 1.2856 1.2856 4.2170 4.2170 4.6302 4.6302 5.5397 5.5397 6.7754 6.7754 7.1145 7.1145 7.1740 7.1740 8.5500 8.5500 8.6226 8.6226 9.9776 9.9776 10.6388 10.6388 11.3016 11.3016 k = 0.3256 0.1880-0.0000 ( 4961 PWs) bands (ev): -27.3485 -27.3485 -27.3458 -27.3458 -10.2033 -10.2033 -10.1858 -10.1858 -9.1068 -9.1068 -9.0863 -9.0863 -9.0360 -9.0360 -9.0099 -9.0099 -0.2979 -0.2979 -0.1919 -0.1919 0.5247 0.5247 0.5288 0.5288 0.6477 0.6477 0.6733 0.6733 0.8614 0.8614 0.8655 0.8655 0.9025 0.9025 0.9140 0.9140 1.0853 1.0853 1.3043 1.3043 4.0837 4.0837 4.5107 4.5107 5.6216 5.6216 6.7292 6.7292 7.0887 7.0887 7.1676 7.1676 8.5105 8.5105 8.5501 8.5501 9.9990 9.9990 10.7041 10.7041 11.2338 11.2338 k = 0.3372 0.1947-0.0000 ( 4969 PWs) bands (ev): -27.3482 -27.3482 -27.3455 -27.3455 -10.2047 -10.2047 -10.1878 -10.1878 -9.1086 -9.1086 -9.0903 -9.0903 -9.0375 -9.0375 -9.0101 -9.0101 -0.2590 -0.2590 -0.1742 -0.1742 0.5278 0.5278 0.5305 0.5305 0.6538 0.6538 0.6766 0.6766 0.8652 0.8652 0.8678 0.8678 0.9032 0.9032 0.9148 0.9148 1.1050 1.1050 1.3244 1.3244 3.9529 3.9529 4.3955 4.3955 5.7043 5.7043 6.6856 6.6856 7.0638 7.0638 7.1607 7.1607 8.4655 8.4655 8.4857 8.4857 10.0183 10.0183 10.7767 10.7767 11.1698 11.1698 k = 0.3488 0.2014-0.0000 ( 4969 PWs) bands (ev): -27.3479 -27.3479 -27.3452 -27.3452 -10.2061 -10.2061 -10.1897 -10.1897 -9.1104 -9.1104 -9.0941 -9.0941 -9.0388 -9.0388 -9.0102 -9.0102 -0.2234 -0.2234 -0.1563 -0.1563 0.5308 0.5308 0.5321 0.5321 0.6602 0.6602 0.6800 0.6800 0.8687 0.8687 0.8700 0.8700 0.9041 0.9041 0.9157 0.9157 1.1277 1.1277 1.3458 1.3458 3.8250 3.8250 4.2848 4.2848 5.7875 5.7875 6.6448 6.6448 7.0401 7.0401 7.1530 7.1530 8.4030 8.4030 8.4419 8.4419 10.0355 10.0355 10.8554 10.8554 11.1099 11.1099 k = 0.3605 0.2081-0.0000 ( 4969 PWs) bands (ev): -27.3476 -27.3476 -27.3449 -27.3449 -10.2074 -10.2074 -10.1916 -10.1916 -9.1121 -9.1121 -9.0977 -9.0977 -9.0400 -9.0400 -9.0103 -9.0103 -0.1920 -0.1920 -0.1375 -0.1375 0.5327 0.5327 0.5344 0.5344 0.6668 0.6668 0.6834 0.6834 0.8711 0.8711 0.8730 0.8730 0.9051 0.9051 0.9167 0.9167 1.1535 1.1535 1.3685 1.3685 3.7002 3.7002 4.1791 4.1791 5.8711 5.8711 6.6068 6.6068 7.0178 7.0178 7.1442 7.1442 8.3368 8.3368 8.4055 8.4055 10.0509 10.0509 10.9386 10.9386 11.0548 11.0548 k = 0.3721 0.2148-0.0000 ( 4973 PWs) bands (ev): -27.3474 -27.3474 -27.3447 -27.3447 -10.2086 -10.2086 -10.1933 -10.1933 -9.1139 -9.1139 -9.1011 -9.1011 -9.0409 -9.0409 -9.0104 -9.0104 -0.1662 -0.1662 -0.1170 -0.1170 0.5339 0.5339 0.5370 0.5370 0.6735 0.6735 0.6868 0.6868 0.8726 0.8726 0.8763 0.8763 0.9062 0.9062 0.9176 0.9176 1.1826 1.1826 1.3924 1.3924 3.5790 3.5790 4.0786 4.0786 5.9547 5.9547 6.5717 6.5717 6.9969 6.9969 7.1340 7.1340 8.2722 8.2722 8.3718 8.3718 10.0647 10.0647 10.9969 10.9969 11.0331 11.0331 k = 0.3837 0.2215-0.0000 ( 4973 PWs) bands (ev): -27.3471 -27.3471 -27.3444 -27.3444 -10.2098 -10.2098 -10.1949 -10.1949 -9.1156 -9.1156 -9.1043 -9.1043 -9.0418 -9.0418 -9.0105 -9.0105 -0.1459 -0.1459 -0.0948 -0.0948 0.5347 0.5347 0.5396 0.5396 0.6799 0.6799 0.6903 0.6903 0.8738 0.8738 0.8794 0.8794 0.9074 0.9074 0.9186 0.9186 1.2148 1.2148 1.4171 1.4171 3.4616 3.4616 3.9838 3.9838 6.0380 6.0380 6.5394 6.5394 6.9776 6.9776 7.1220 7.1220 8.2101 8.2101 8.3405 8.3405 10.0769 10.0769 10.9541 10.9541 11.1196 11.1196 k = 0.3953 0.2283-0.0000 ( 4969 PWs) bands (ev): -27.3469 -27.3469 -27.3442 -27.3442 -10.2109 -10.2109 -10.1964 -10.1964 -9.1172 -9.1172 -9.1072 -9.1072 -9.0425 -9.0425 -9.0106 -9.0106 -0.1301 -0.1301 -0.0723 -0.0723 0.5354 0.5354 0.5420 0.5420 0.6858 0.6858 0.6938 0.6938 0.8748 0.8748 0.8823 0.8823 0.9086 0.9086 0.9195 0.9195 1.2500 1.2500 1.4426 1.4426 3.3488 3.3488 3.8951 3.8951 6.1207 6.1207 6.5102 6.5102 6.9599 6.9599 7.1078 7.1078 8.1509 8.1509 8.3117 8.3117 10.0878 10.0878 10.9123 10.9123 11.2111 11.2111 k = 0.4070 0.2350-0.0000 ( 4973 PWs) bands (ev): -27.3467 -27.3467 -27.3440 -27.3440 -10.2119 -10.2119 -10.1978 -10.1978 -9.1187 -9.1187 -9.1098 -9.1098 -9.0430 -9.0430 -9.0107 -9.0107 -0.1173 -0.1173 -0.0510 -0.0510 0.5359 0.5359 0.5441 0.5441 0.6908 0.6908 0.6977 0.6977 0.8756 0.8756 0.8849 0.8849 0.9097 0.9097 0.9205 0.9205 1.2875 1.2875 1.4685 1.4685 3.2411 3.2411 3.8131 3.8131 6.2025 6.2025 6.4839 6.4839 6.9438 6.9438 7.0909 7.0909 8.0954 8.0954 8.2855 8.2855 10.0974 10.0974 10.8749 10.8749 11.3024 11.3024 k = 0.4186 0.2417-0.0000 ( 4967 PWs) bands (ev): -27.3465 -27.3465 -27.3438 -27.3438 -10.2127 -10.2127 -10.1990 -10.1990 -9.1200 -9.1200 -9.1121 -9.1121 -9.0435 -9.0435 -9.0108 -9.0108 -0.1068 -0.1068 -0.0318 -0.0318 0.5363 0.5363 0.5460 0.5460 0.6947 0.6947 0.7020 0.7020 0.8763 0.8763 0.8872 0.8872 0.9108 0.9108 0.9214 0.9214 1.3263 1.3263 1.4945 1.4945 3.1395 3.1395 3.7383 3.7383 6.2829 6.2829 6.4607 6.4607 6.9296 6.9296 7.0709 7.0709 8.0439 8.0439 8.2621 8.2621 10.1059 10.1059 10.8420 10.8420 11.3914 11.3914 k = 0.4302 0.2484-0.0000 ( 4963 PWs) bands (ev): -27.3463 -27.3463 -27.3437 -27.3437 -10.2135 -10.2135 -10.2001 -10.2001 -9.1213 -9.1213 -9.1142 -9.1142 -9.0439 -9.0439 -9.0108 -9.0108 -0.0981 -0.0981 -0.0151 -0.0151 0.5366 0.5366 0.5476 0.5476 0.6977 0.6977 0.7062 0.7062 0.8768 0.8768 0.8892 0.8892 0.9118 0.9118 0.9222 0.9222 1.3652 1.3652 1.5204 1.5204 3.0450 3.0450 3.6715 3.6715 6.3613 6.3613 6.4407 6.4407 6.9171 6.9171 7.0473 7.0473 7.9972 7.9972 8.2416 8.2416 10.1132 10.1132 10.8138 10.8138 11.4758 11.4758 k = 0.4419 0.2551-0.0000 ( 4959 PWs) bands (ev): -27.3462 -27.3462 -27.3435 -27.3435 -10.2142 -10.2142 -10.2010 -10.2010 -9.1223 -9.1223 -9.1159 -9.1159 -9.0442 -9.0442 -9.0109 -9.0109 -0.0909 -0.0909 -0.0010 -0.0010 0.5368 0.5368 0.5490 0.5490 0.7000 0.7000 0.7102 0.7102 0.8772 0.8772 0.8909 0.8909 0.9127 0.9127 0.9229 0.9229 1.4025 1.4025 1.5457 1.5457 2.9591 2.9591 3.6132 3.6132 6.4213 6.4213 6.4398 6.4398 6.9064 6.9064 7.0197 7.0197 7.9561 7.9561 8.2242 8.2242 10.1194 10.1194 10.7901 10.7901 11.5527 11.5527 k = 0.4535 0.2618-0.0000 ( 4965 PWs) bands (ev): -27.3461 -27.3461 -27.3434 -27.3434 -10.2147 -10.2147 -10.2018 -10.2018 -9.1232 -9.1232 -9.1173 -9.1173 -9.0445 -9.0445 -9.0109 -9.0109 -0.0851 -0.0851 0.0104 0.0104 0.5369 0.5369 0.5501 0.5501 0.7017 0.7017 0.7135 0.7135 0.8775 0.8775 0.8923 0.8923 0.9134 0.9134 0.9235 0.9235 1.4360 1.4360 1.5699 1.5699 2.8837 2.8837 3.5643 3.5643 6.4087 6.4087 6.5114 6.5114 6.8976 6.8976 6.9879 6.9879 7.9213 7.9213 8.2097 8.2097 10.1244 10.1244 10.7708 10.7708 11.6193 11.6193 k = 0.4651 0.2685-0.0000 ( 4969 PWs) bands (ev): -27.3460 -27.3460 -27.3433 -27.3433 -10.2152 -10.2152 -10.2024 -10.2024 -9.1240 -9.1240 -9.1185 -9.1185 -9.0447 -9.0447 -9.0109 -9.0109 -0.0806 -0.0806 0.0192 0.0192 0.5370 0.5370 0.5510 0.5510 0.7031 0.7031 0.7162 0.7162 0.8778 0.8778 0.8933 0.8933 0.9140 0.9140 0.9240 0.9240 1.4638 1.4638 1.5920 1.5920 2.8209 2.8209 3.5253 3.5253 6.3979 6.3979 6.5803 6.5803 6.8907 6.8907 6.9521 6.9521 7.8934 7.8934 8.1985 8.1985 10.1284 10.1284 10.7560 10.7560 11.6728 11.6728 k = 0.4767 0.2752-0.0000 ( 4961 PWs) bands (ev): -27.3459 -27.3459 -27.3433 -27.3433 -10.2155 -10.2155 -10.2028 -10.2028 -9.1245 -9.1245 -9.1193 -9.1193 -9.0448 -9.0448 -9.0110 -9.0110 -0.0774 -0.0774 0.0254 0.0254 0.5371 0.5371 0.5516 0.5516 0.7041 0.7041 0.7182 0.7182 0.8780 0.8780 0.8941 0.8941 0.9145 0.9145 0.9244 0.9244 1.4845 1.4845 1.6104 1.6104 2.7734 2.7734 3.4970 3.4970 6.3901 6.3901 6.6431 6.6431 6.8854 6.8854 6.9138 6.9138 7.8730 7.8730 8.1904 8.1904 10.1312 10.1312 10.7454 10.7454 11.7114 11.7114 k = 0.4884 0.2820-0.0000 ( 4978 PWs) bands (ev): -27.3459 -27.3459 -27.3432 -27.3432 -10.2157 -10.2157 -10.2031 -10.2031 -9.1248 -9.1248 -9.1198 -9.1198 -9.0449 -9.0449 -9.0110 -9.0110 -0.0756 -0.0756 0.0291 0.0291 0.5371 0.5371 0.5519 0.5519 0.7046 0.7046 0.7193 0.7193 0.8781 0.8781 0.8945 0.8945 0.9147 0.9147 0.9246 0.9246 1.4971 1.4971 1.6227 1.6227 2.7435 2.7435 3.4798 3.4798 6.3854 6.3854 6.6944 6.6944 6.8741 6.8741 6.8855 6.8855 7.8606 7.8606 8.1855 8.1855 10.1329 10.1329 10.7391 10.7391 11.7342 11.7342 k = 0.5000 0.2887-0.0000 ( 4980 PWs) bands (ev): -27.3459 -27.3459 -27.3432 -27.3432 -10.2158 -10.2158 -10.2032 -10.2032 -9.1249 -9.1249 -9.1199 -9.1199 -9.0449 -9.0449 -9.0110 -9.0110 -0.0749 -0.0749 0.0304 0.0304 0.5372 0.5372 0.5520 0.5520 0.7048 0.7048 0.7197 0.7197 0.8781 0.8781 0.8946 0.8946 0.9148 0.9148 0.9247 0.9247 1.5013 1.5013 1.6271 1.6271 2.7333 2.7333 3.4740 3.4740 6.3839 6.3839 6.7176 6.7176 6.8573 6.8573 6.8831 6.8831 7.8565 7.8565 8.1839 8.1839 10.1334 10.1334 10.7370 10.7370 11.7416 11.7416 k = 0.5000 0.2887-0.0000 ( 4980 PWs) bands (ev): -27.3459 -27.3459 -27.3432 -27.3432 -10.2158 -10.2158 -10.2032 -10.2032 -9.1249 -9.1249 -9.1199 -9.1199 -9.0449 -9.0449 -9.0110 -9.0110 -0.0749 -0.0749 0.0304 0.0304 0.5372 0.5372 0.5520 0.5520 0.7048 0.7048 0.7197 0.7197 0.8781 0.8781 0.8946 0.8946 0.9148 0.9148 0.9247 0.9247 1.5013 1.5013 1.6271 1.6271 2.7333 2.7333 3.4740 3.4740 6.3839 6.3839 6.7176 6.7176 6.8573 6.8573 6.8831 6.8831 7.8565 7.8565 8.1839 8.1839 10.1334 10.1334 10.7370 10.7370 11.7416 11.7416 k = 0.4933 0.3002-0.0000 ( 4976 PWs) bands (ev): -27.3459 -27.3459 -27.3432 -27.3432 -10.2158 -10.2158 -10.2032 -10.2032 -9.1248 -9.1248 -9.1199 -9.1199 -9.0450 -9.0450 -9.0111 -9.0111 -0.0746 -0.0746 0.0308 0.0308 0.5371 0.5371 0.5521 0.5521 0.7006 0.7006 0.7238 0.7238 0.8781 0.8781 0.8946 0.8946 0.9146 0.9146 0.9247 0.9247 1.5019 1.5019 1.6279 1.6279 2.7345 2.7345 3.4731 3.4731 6.3796 6.3796 6.7188 6.7188 6.8549 6.8549 6.8664 6.8664 7.8582 7.8582 8.2032 8.2032 10.1412 10.1412 10.7212 10.7212 11.7471 11.7471 k = 0.4867 0.3118-0.0000 ( 4984 PWs) bands (ev): -27.3458 -27.3458 -27.3432 -27.3432 -10.2158 -10.2158 -10.2033 -10.2033 -9.1246 -9.1246 -9.1198 -9.1198 -9.0454 -9.0454 -9.0114 -9.0114 -0.0735 -0.0735 0.0321 0.0321 0.5371 0.5371 0.5520 0.5520 0.6927 0.6927 0.7313 0.7313 0.8781 0.8781 0.8946 0.8946 0.9141 0.9141 0.9247 0.9247 1.5040 1.5040 1.6302 1.6302 2.7379 2.7379 3.4704 3.4704 6.3669 6.3669 6.7223 6.7223 6.8075 6.8075 6.8601 6.8601 7.8633 7.8633 8.2577 8.2577 10.1644 10.1644 10.6766 10.6766 11.7628 11.7628 k = 0.4800 0.3233-0.0000 ( 4976 PWs) bands (ev): -27.3458 -27.3458 -27.3432 -27.3432 -10.2159 -10.2159 -10.2033 -10.2033 -9.1243 -9.1243 -9.1198 -9.1198 -9.0460 -9.0460 -9.0118 -9.0118 -0.0718 -0.0718 0.0343 0.0343 0.5369 0.5369 0.5521 0.5521 0.6840 0.6840 0.7393 0.7393 0.8781 0.8781 0.8946 0.8946 0.9134 0.9134 0.9248 0.9248 1.5073 1.5073 1.6341 1.6341 2.7436 2.7436 3.4659 3.4659 6.3462 6.3462 6.7253 6.7253 6.7283 6.7283 6.8610 6.8610 7.8717 7.8717 8.3401 8.3401 10.2024 10.2024 10.6101 10.6101 11.7884 11.7884 k = 0.4733 0.3349-0.0000 ( 4976 PWs) bands (ev): -27.3458 -27.3458 -27.3432 -27.3432 -10.2159 -10.2159 -10.2034 -10.2034 -9.1239 -9.1239 -9.1196 -9.1196 -9.0468 -9.0468 -9.0125 -9.0125 -0.0695 -0.0695 0.0374 0.0374 0.5368 0.5368 0.5521 0.5521 0.6750 0.6750 0.7474 0.7474 0.8780 0.8780 0.8945 0.8945 0.9125 0.9125 0.9248 0.9248 1.5120 1.5120 1.6395 1.6395 2.7516 2.7516 3.4596 3.4596 6.3183 6.3183 6.6233 6.6233 6.7365 6.7365 6.8628 6.8628 7.8835 7.8835 8.4422 8.4422 10.2544 10.2544 10.5287 10.5287 11.8237 11.8237 k = 0.4667 0.3464-0.0000 ( 4972 PWs) bands (ev): -27.3458 -27.3458 -27.3431 -27.3431 -10.2160 -10.2160 -10.2036 -10.2036 -9.1234 -9.1234 -9.1195 -9.1195 -9.0479 -9.0479 -9.0133 -9.0133 -0.0665 -0.0665 0.0413 0.0413 0.5366 0.5366 0.5521 0.5521 0.6660 0.6660 0.7554 0.7554 0.8780 0.8780 0.8944 0.8944 0.9114 0.9114 0.9247 0.9247 1.5181 1.5181 1.6464 1.6464 2.7617 2.7617 3.4514 3.4514 6.2841 6.2841 6.5082 6.5082 6.7469 6.7469 6.8652 6.8652 7.8986 7.8986 8.5574 8.5574 10.3192 10.3192 10.4382 10.4382 11.8687 11.8687 k = 0.4600 0.3580-0.0000 ( 4976 PWs) bands (ev): -27.3457 -27.3457 -27.3431 -27.3431 -10.2161 -10.2161 -10.2037 -10.2037 -9.1227 -9.1227 -9.1193 -9.1193 -9.0492 -9.0492 -9.0142 -9.0142 -0.0630 -0.0630 0.0460 0.0460 0.5363 0.5363 0.5522 0.5522 0.6569 0.6569 0.7631 0.7631 0.8779 0.8779 0.8943 0.8943 0.9101 0.9101 0.9245 0.9245 1.5255 1.5255 1.6547 1.6547 2.7738 2.7738 3.4414 3.4414 6.2444 6.2444 6.3848 6.3848 6.7593 6.7593 6.8681 6.8681 7.9169 7.9169 8.6812 8.6812 10.3406 10.3406 10.3970 10.3970 11.9231 11.9231 k = 0.4533 0.3695-0.0000 ( 4974 PWs) bands (ev): -27.3457 -27.3457 -27.3430 -27.3430 -10.2163 -10.2163 -10.2039 -10.2039 -9.1219 -9.1219 -9.1191 -9.1191 -9.0506 -9.0506 -9.0153 -9.0153 -0.0590 -0.0590 0.0515 0.0515 0.5361 0.5361 0.5522 0.5522 0.6478 0.6478 0.7707 0.7707 0.8779 0.8779 0.8942 0.8942 0.9088 0.9088 0.9241 0.9241 1.5343 1.5343 1.6644 1.6644 2.7880 2.7880 3.4294 3.4294 6.2000 6.2000 6.2569 6.2569 6.7738 6.7738 6.8716 6.8716 7.9384 7.9384 8.8102 8.8102 10.2420 10.2420 10.4829 10.4829 11.9857 11.9857 k = 0.4467 0.3811-0.0000 ( 4968 PWs) bands (ev): -27.3456 -27.3456 -27.3430 -27.3430 -10.2164 -10.2164 -10.2041 -10.2041 -9.1211 -9.1211 -9.1189 -9.1189 -9.0523 -9.0523 -9.0165 -9.0165 -0.0546 -0.0546 0.0578 0.0578 0.5358 0.5358 0.5522 0.5522 0.6389 0.6389 0.7781 0.7781 0.8778 0.8778 0.8940 0.8940 0.9074 0.9074 0.9237 0.9237 1.5444 1.5444 1.6753 1.6753 2.8041 2.8041 3.4157 3.4157 6.1223 6.1223 6.1567 6.1567 6.7899 6.7899 6.8758 6.8758 7.9631 7.9631 8.9423 8.9423 10.1415 10.1415 10.5774 10.5774 11.9612 11.9612 k = 0.4400 0.3926-0.0000 ( 4964 PWs) bands (ev): -27.3455 -27.3455 -27.3429 -27.3429 -10.2166 -10.2166 -10.2043 -10.2043 -9.1201 -9.1201 -9.1186 -9.1186 -9.0542 -9.0542 -9.0178 -9.0178 -0.0498 -0.0498 0.0647 0.0647 0.5355 0.5355 0.5522 0.5522 0.6301 0.6301 0.7852 0.7852 0.8777 0.8777 0.8939 0.8939 0.9060 0.9060 0.9231 0.9231 1.5557 1.5557 1.6875 1.6875 2.8218 2.8218 3.4000 3.4000 5.9917 5.9917 6.1064 6.1064 6.8075 6.8075 6.8806 6.8806 7.9907 7.9907 9.0760 9.0760 10.0408 10.0408 10.6778 10.6778 11.9110 11.9110 k = 0.4333 0.4041-0.0000 ( 4968 PWs) bands (ev): -27.3455 -27.3455 -27.3429 -27.3429 -10.2168 -10.2168 -10.2046 -10.2046 -9.1191 -9.1191 -9.1183 -9.1183 -9.0562 -9.0562 -9.0192 -9.0192 -0.0447 -0.0447 0.0722 0.0722 0.5351 0.5351 0.5522 0.5522 0.6215 0.6215 0.7921 0.7921 0.8776 0.8776 0.8937 0.8937 0.9045 0.9045 0.9224 0.9224 1.5684 1.5684 1.7007 1.7007 2.8411 2.8411 3.3825 3.3825 5.8603 5.8603 6.0565 6.0565 6.8263 6.8263 6.8863 6.8863 8.0213 8.0213 9.2101 9.2101 9.9407 9.9407 10.7813 10.7813 11.8655 11.8655 k = 0.4267 0.4157-0.0000 ( 4964 PWs) bands (ev): -27.3454 -27.3454 -27.3428 -27.3428 -10.2170 -10.2170 -10.2049 -10.2049 -9.1184 -9.1184 -9.1176 -9.1176 -9.0583 -9.0583 -9.0207 -9.0207 -0.0395 -0.0395 0.0803 0.0803 0.5348 0.5348 0.5522 0.5522 0.6132 0.6132 0.7988 0.7988 0.8774 0.8774 0.8935 0.8935 0.9031 0.9031 0.9215 0.9215 1.5822 1.5822 1.7150 1.7150 2.8617 2.8617 3.3633 3.3633 5.7304 5.7304 6.0067 6.0067 6.8458 6.8458 6.8930 6.8930 8.0546 8.0546 9.3439 9.3439 9.8418 9.8418 10.8838 10.8838 11.8283 11.8283 k = 0.4200 0.4272-0.0000 ( 4962 PWs) bands (ev): -27.3453 -27.3453 -27.3427 -27.3427 -10.2172 -10.2172 -10.2051 -10.2051 -9.1181 -9.1181 -9.1164 -9.1164 -9.0606 -9.0606 -9.0221 -9.0221 -0.0342 -0.0342 0.0888 0.0888 0.5345 0.5345 0.5521 0.5521 0.6052 0.6052 0.8052 0.8052 0.8773 0.8773 0.8933 0.8933 0.9017 0.9017 0.9206 0.9206 1.5972 1.5972 1.7302 1.7302 2.8832 2.8832 3.3423 3.3423 5.6030 5.6030 5.9577 5.9577 6.8650 6.8650 6.9014 6.9014 8.0906 8.0906 9.4767 9.4767 9.7449 9.7449 10.9799 10.9799 11.8041 11.8041 k = 0.4133 0.4388-0.0000 ( 4958 PWs) bands (ev): -27.3453 -27.3453 -27.3426 -27.3426 -10.2174 -10.2174 -10.2054 -10.2054 -9.1179 -9.1179 -9.1150 -9.1150 -9.0629 -9.0629 -9.0236 -9.0236 -0.0288 -0.0288 0.0976 0.0976 0.5341 0.5341 0.5519 0.5519 0.5976 0.5976 0.8114 0.8114 0.8771 0.8771 0.8930 0.8930 0.9003 0.9003 0.9196 0.9196 1.6131 1.6131 1.7463 1.7463 2.9055 2.9055 3.3198 3.3198 5.4791 5.4791 5.9104 5.9104 6.8826 6.8826 6.9125 6.9125 8.1291 8.1291 9.6040 9.6040 9.6543 9.6543 11.0619 11.0619 11.7998 11.7998 k = 0.4067 0.4503-0.0000 ( 4968 PWs) bands (ev): -27.3452 -27.3452 -27.3426 -27.3426 -10.2177 -10.2177 -10.2057 -10.2057 -9.1177 -9.1177 -9.1136 -9.1136 -9.0654 -9.0654 -9.0250 -9.0250 -0.0236 -0.0236 0.1065 0.1065 0.5338 0.5338 0.5517 0.5517 0.5904 0.5904 0.8173 0.8173 0.8768 0.8768 0.8928 0.8928 0.8990 0.8990 0.9184 0.9184 1.6300 1.6300 1.7630 1.7630 2.9281 2.9281 3.2959 3.2959 5.3597 5.3597 5.8652 5.8652 6.8970 6.8970 6.9277 6.9277 8.1699 8.1699 9.5539 9.5539 9.7419 9.7419 11.1214 11.1214 11.8224 11.8224 k = 0.4000 0.4619-0.0000 ( 4968 PWs) bands (ev): -27.3451 -27.3451 -27.3425 -27.3425 -10.2179 -10.2179 -10.2060 -10.2060 -9.1175 -9.1175 -9.1121 -9.1121 -9.0679 -9.0679 -9.0264 -9.0264 -0.0184 -0.0184 0.1155 0.1155 0.5335 0.5335 0.5515 0.5515 0.5837 0.5837 0.8229 0.8229 0.8765 0.8765 0.8925 0.8925 0.8978 0.8978 0.9173 0.9173 1.6476 1.6476 1.7802 1.7802 2.9504 2.9504 3.2709 3.2709 5.2456 5.2456 5.8228 5.8228 6.9085 6.9085 6.9461 6.9461 8.2128 8.2128 9.4639 9.4639 9.8702 9.8702 11.1534 11.1534 11.7722 11.7722 k = 0.3933 0.4734-0.0000 ( 4968 PWs) bands (ev): -27.3450 -27.3450 -27.3424 -27.3424 -10.2181 -10.2181 -10.2063 -10.2063 -9.1174 -9.1174 -9.1105 -9.1105 -9.0704 -9.0704 -9.0277 -9.0277 -0.0134 -0.0134 0.1244 0.1244 0.5332 0.5332 0.5511 0.5511 0.5777 0.5777 0.8283 0.8283 0.8762 0.8762 0.8922 0.8922 0.8967 0.8967 0.9161 0.9161 1.6657 1.6657 1.7977 1.7977 2.9722 2.9722 3.2451 3.2451 5.1379 5.1379 5.7836 5.7836 6.9188 6.9188 6.9657 6.9657 8.2576 8.2576 9.3759 9.3759 9.9971 9.9971 11.1598 11.1598 11.6874 11.6874 k = 0.3867 0.4850-0.0000 ( 4966 PWs) bands (ev): -27.3450 -27.3450 -27.3424 -27.3424 -10.2183 -10.2183 -10.2066 -10.2066 -9.1174 -9.1174 -9.1089 -9.1089 -9.0730 -9.0730 -9.0290 -9.0290 -0.0088 -0.0088 0.1331 0.1331 0.5329 0.5329 0.5506 0.5506 0.5723 0.5723 0.8333 0.8333 0.8759 0.8759 0.8919 0.8919 0.8958 0.8958 0.9149 0.9149 1.6841 1.6841 1.8154 1.8154 2.9927 2.9927 3.2189 3.2189 5.0377 5.0377 5.7480 5.7480 6.9289 6.9289 6.9850 6.9850 8.3042 8.3042 9.2905 9.2905 10.1219 10.1219 11.1475 11.1475 11.6077 11.6077 k = 0.3800 0.4965-0.0000 ( 4970 PWs) bands (ev): -27.3449 -27.3449 -27.3423 -27.3423 -10.2186 -10.2186 -10.2069 -10.2069 -9.1173 -9.1173 -9.1072 -9.1072 -9.0755 -9.0755 -9.0301 -9.0301 -0.0044 -0.0044 0.1413 0.1413 0.5327 0.5327 0.5499 0.5499 0.5676 0.5676 0.8380 0.8380 0.8756 0.8756 0.8916 0.8916 0.8950 0.8950 0.9137 0.9137 1.7023 1.7023 1.8329 1.8329 3.0113 3.0113 3.1928 3.1928 4.9460 4.9460 5.7163 5.7163 6.9390 6.9390 7.0031 7.0031 8.3522 8.3522 9.2080 9.2080 10.2440 10.2440 11.1235 11.1235 11.5344 11.5344 k = 0.3733 0.5081-0.0000 ( 4968 PWs) bands (ev): -27.3448 -27.3448 -27.3422 -27.3422 -10.2188 -10.2188 -10.2072 -10.2072 -9.1173 -9.1173 -9.1055 -9.1055 -9.0780 -9.0780 -9.0311 -9.0311 -0.0005 -0.0005 0.1488 0.1488 0.5324 0.5324 0.5491 0.5491 0.5638 0.5638 0.8422 0.8422 0.8753 0.8753 0.8912 0.8912 0.8943 0.8943 0.9125 0.9125 1.7201 1.7201 1.8498 1.8498 3.0276 3.0276 3.1674 3.1674 4.8640 4.8640 5.6886 5.6886 6.9495 6.9495 7.0192 7.0192 8.4016 8.4016 9.1285 9.1285 10.3627 10.3627 11.0927 11.0927 11.4685 11.4685 k = 0.3667 0.5196-0.0000 ( 4972 PWs) bands (ev): -27.3448 -27.3448 -27.3422 -27.3422 -10.2189 -10.2189 -10.2074 -10.2074 -9.1174 -9.1174 -9.1038 -9.1038 -9.0804 -9.0804 -9.0319 -9.0319 0.0030 0.0030 0.1556 0.1556 0.5323 0.5323 0.5481 0.5481 0.5609 0.5609 0.8459 0.8459 0.8751 0.8751 0.8909 0.8909 0.8937 0.8937 0.9114 0.9114 1.7368 1.7368 1.8659 1.8659 3.0409 3.0409 3.1433 3.1433 4.7929 4.7929 5.6652 5.6652 6.9603 6.9603 7.0327 7.0327 8.4522 8.4522 9.0522 9.0522 10.4768 10.4768 11.0584 11.0584 11.4109 11.4109 k = 0.3600 0.5312-0.0000 ( 4966 PWs) bands (ev): -27.3447 -27.3447 -27.3421 -27.3421 -10.2191 -10.2191 -10.2077 -10.2077 -9.1174 -9.1174 -9.1021 -9.1021 -9.0827 -9.0827 -9.0326 -9.0326 0.0060 0.0060 0.1615 0.1615 0.5321 0.5321 0.5471 0.5471 0.5586 0.5586 0.8491 0.8491 0.8750 0.8750 0.8906 0.8906 0.8933 0.8933 0.9105 0.9105 1.7520 1.7520 1.8806 1.8806 3.0511 3.0511 3.1214 3.1214 4.7337 4.7337 5.6460 5.6460 6.9714 6.9714 7.0428 7.0428 8.5039 8.5039 8.9791 8.9791 10.5845 10.5845 11.0226 11.0226 11.3626 11.3626 k = 0.3533 0.5427-0.0000 ( 4954 PWs) bands (ev): -27.3447 -27.3447 -27.3421 -27.3421 -10.2192 -10.2192 -10.2078 -10.2078 -9.1175 -9.1175 -9.1005 -9.1005 -9.0847 -9.0847 -9.0332 -9.0332 0.0084 0.0084 0.1662 0.1662 0.5320 0.5320 0.5462 0.5462 0.5571 0.5571 0.8516 0.8516 0.8749 0.8749 0.8904 0.8904 0.8929 0.8929 0.9097 0.9097 1.7650 1.7650 1.8934 1.8934 3.0579 3.0579 3.1024 3.1024 4.6873 4.6873 5.6312 5.6312 6.9826 6.9826 7.0493 7.0493 8.5565 8.5565 8.9094 8.9094 10.6832 10.6832 10.9866 10.9866 11.3242 11.3242 k = 0.3467 0.5543-0.0000 ( 4958 PWs) bands (ev): -27.3447 -27.3447 -27.3421 -27.3421 -10.2193 -10.2193 -10.2080 -10.2080 -9.1175 -9.1175 -9.0991 -9.0991 -9.0865 -9.0865 -9.0336 -9.0336 0.0101 0.0101 0.1697 0.1697 0.5320 0.5320 0.5456 0.5456 0.5559 0.5559 0.8533 0.8533 0.8750 0.8750 0.8903 0.8903 0.8925 0.8925 0.9090 0.9090 1.7751 1.7751 1.9034 1.9034 3.0617 3.0617 3.0876 3.0876 4.6542 4.6542 5.6206 5.6206 6.9935 6.9935 7.0517 7.0517 8.6102 8.6102 8.8432 8.8432 10.7690 10.7690 10.9513 10.9513 11.2963 11.2963 k = 0.3400 0.5658-0.0000 ( 4958 PWs) bands (ev): -27.3446 -27.3446 -27.3421 -27.3421 -10.2194 -10.2194 -10.2081 -10.2081 -9.1176 -9.1176 -9.0981 -9.0981 -9.0878 -9.0878 -9.0338 -9.0338 0.0112 0.0112 0.1719 0.1719 0.5319 0.5319 0.5453 0.5453 0.5553 0.5553 0.8543 0.8543 0.8751 0.8751 0.8904 0.8904 0.8923 0.8923 0.9086 0.9086 1.7817 1.7817 1.9101 1.9101 3.0626 3.0626 3.0783 3.0783 4.6345 4.6345 5.6144 5.6144 7.0029 7.0029 7.0506 7.0506 8.6648 8.6648 8.7809 8.7809 10.8364 10.8364 10.9176 10.9176 11.2795 11.2795 k = 0.3333 0.5774-0.0000 ( 4941 PWs) bands (ev): -27.3446 -27.3446 -27.3420 -27.3420 -10.2194 -10.2194 -10.2081 -10.2081 -9.1176 -9.1176 -9.0976 -9.0976 -9.0883 -9.0883 -9.0339 -9.0339 0.0116 0.0116 0.1726 0.1726 0.5319 0.5319 0.5452 0.5452 0.5550 0.5550 0.8547 0.8547 0.8752 0.8752 0.8904 0.8904 0.8921 0.8921 0.9085 0.9085 1.7840 1.7840 1.9125 1.9125 3.0622 3.0622 3.0755 3.0755 4.6281 4.6281 5.6123 5.6123 7.0075 7.0075 7.0489 7.0489 8.7136 8.7136 8.7295 8.7295 10.8723 10.8723 10.8939 10.8939 11.2739 11.2739 k = 0.3333 0.5774-0.0000 ( 4941 PWs) bands (ev): -27.3446 -27.3446 -27.3420 -27.3420 -10.2194 -10.2194 -10.2081 -10.2081 -9.1176 -9.1176 -9.0976 -9.0976 -9.0883 -9.0883 -9.0339 -9.0339 0.0116 0.0116 0.1726 0.1726 0.5319 0.5319 0.5452 0.5452 0.5550 0.5550 0.8547 0.8547 0.8752 0.8752 0.8904 0.8904 0.8921 0.8921 0.9085 0.9085 1.7840 1.7840 1.9125 1.9125 3.0622 3.0622 3.0755 3.0755 4.6281 4.6281 5.6123 5.6123 7.0075 7.0075 7.0489 7.0489 8.7136 8.7136 8.7295 8.7295 10.8723 10.8723 10.8939 10.8939 11.2739 11.2739 k = 0.3265 0.5656-0.0000 ( 4949 PWs) bands (ev): -27.3446 -27.3446 -27.3420 -27.3420 -10.2194 -10.2194 -10.2080 -10.2080 -9.1176 -9.1176 -9.0980 -9.0980 -9.0878 -9.0878 -9.0338 -9.0338 0.0112 0.0112 0.1718 0.1718 0.5319 0.5319 0.5452 0.5452 0.5553 0.5553 0.8544 0.8544 0.8751 0.8751 0.8903 0.8903 0.8923 0.8923 0.9087 0.9087 1.7814 1.7814 1.9097 1.9097 3.0641 3.0641 3.0778 3.0778 4.6345 4.6345 5.6144 5.6144 7.0008 7.0008 7.0525 7.0525 8.6650 8.6650 8.7809 8.7809 10.8490 10.8490 10.9039 10.9039 11.2797 11.2797 k = 0.3197 0.5538-0.0000 ( 4955 PWs) bands (ev): -27.3447 -27.3447 -27.3421 -27.3421 -10.2193 -10.2193 -10.2079 -10.2079 -9.1175 -9.1175 -9.0990 -9.0990 -9.0866 -9.0866 -9.0336 -9.0336 0.0100 0.0100 0.1694 0.1694 0.5320 0.5320 0.5450 0.5450 0.5564 0.5564 0.8535 0.8535 0.8748 0.8748 0.8901 0.8901 0.8927 0.8927 0.9091 0.9091 1.7734 1.7734 1.9011 1.9011 3.0715 3.0715 3.0850 3.0850 4.6531 4.6531 5.6207 5.6207 6.9817 6.9817 7.0619 7.0619 8.6136 8.6136 8.8413 8.8413 10.8197 10.8197 10.8941 10.8941 11.2970 11.2970 k = 0.3129 0.5420-0.0000 ( 4951 PWs) bands (ev): -27.3447 -27.3447 -27.3421 -27.3421 -10.2192 -10.2192 -10.2077 -10.2077 -9.1173 -9.1173 -9.1002 -9.1002 -9.0850 -9.0850 -9.0332 -9.0332 0.0079 0.0079 0.1654 0.1654 0.5320 0.5320 0.5446 0.5446 0.5582 0.5582 0.8522 0.8522 0.8742 0.8742 0.8897 0.8897 0.8933 0.8933 0.9097 0.9097 1.7596 1.7596 1.8862 1.8862 3.0856 3.0856 3.0980 3.0980 4.6826 4.6826 5.6311 5.6311 6.9531 6.9531 7.0739 7.0739 8.5664 8.5664 8.9040 8.9040 10.7919 10.7919 10.8615 10.8615 11.3254 11.3254 k = 0.3061 0.5302-0.0000 ( 4953 PWs) bands (ev): -27.3447 -27.3447 -27.3422 -27.3422 -10.2190 -10.2190 -10.2075 -10.2075 -9.1170 -9.1170 -9.1014 -9.1014 -9.0832 -9.0832 -9.0328 -9.0328 0.0048 0.0048 0.1598 0.1598 0.5321 0.5321 0.5438 0.5438 0.5606 0.5606 0.8504 0.8504 0.8734 0.8734 0.8894 0.8894 0.8939 0.8939 0.9105 0.9105 1.7400 1.7400 1.8652 1.8652 3.1070 3.1070 3.1179 3.1179 4.7220 4.7220 5.6454 5.6454 6.9167 6.9167 7.0869 7.0869 8.5238 8.5238 8.9691 8.9691 10.7657 10.7657 10.8120 10.8120 11.3642 11.3642 k = 0.2993 0.5184-0.0000 ( 4961 PWs) bands (ev): -27.3448 -27.3448 -27.3422 -27.3422 -10.2187 -10.2187 -10.2071 -10.2071 -9.1166 -9.1166 -9.1025 -9.1025 -9.0813 -9.0813 -9.0322 -9.0322 0.0008 0.0008 0.1524 0.1524 0.5322 0.5322 0.5428 0.5428 0.5635 0.5635 0.8482 0.8482 0.8723 0.8723 0.8890 0.8890 0.8946 0.8946 0.9113 0.9113 1.7146 1.7146 1.8387 1.8387 3.1358 3.1358 3.1454 3.1454 4.7700 4.7700 5.6635 5.6635 6.8732 6.8732 7.1001 7.1001 8.4860 8.4860 9.0368 9.0368 10.7358 10.7358 10.7562 10.7562 11.4125 11.4125 k = 0.2925 0.5067-0.0000 ( 4975 PWs) bands (ev): -27.3449 -27.3449 -27.3423 -27.3423 -10.2184 -10.2184 -10.2066 -10.2066 -9.1160 -9.1160 -9.1035 -9.1035 -9.0793 -9.0793 -9.0315 -9.0315 -0.0042 -0.0042 0.1434 0.1434 0.5322 0.5322 0.5416 0.5416 0.5667 0.5667 0.8456 0.8456 0.8710 0.8710 0.8887 0.8887 0.8952 0.8952 0.9122 0.9122 1.6836 1.6836 1.8078 1.8078 3.1721 3.1721 3.1807 3.1807 4.8257 4.8257 5.6853 5.6853 6.8232 6.8232 7.1132 7.1132 8.4533 8.4533 9.1073 9.1073 10.6745 10.6745 10.7261 10.7261 11.4693 11.4693 k = 0.2857 0.4949-0.0000 ( 4963 PWs) bands (ev): -27.3450 -27.3450 -27.3424 -27.3424 -10.2179 -10.2179 -10.2061 -10.2061 -9.1152 -9.1152 -9.1044 -9.1044 -9.0772 -9.0772 -9.0308 -9.0308 -0.0103 -0.0103 0.1327 0.1327 0.5323 0.5323 0.5402 0.5402 0.5702 0.5702 0.8425 0.8425 0.8696 0.8696 0.8884 0.8884 0.8958 0.8958 0.9130 0.9130 1.6473 1.6473 1.7738 1.7738 3.2155 3.2155 3.2239 3.2239 4.8879 4.8879 5.7107 5.7107 6.7672 6.7672 7.1258 7.1258 8.4258 8.4258 9.1809 9.1809 10.5998 10.5998 10.7066 10.7066 11.5332 11.5332 k = 0.2789 0.4831-0.0000 ( 4963 PWs) bands (ev): -27.3451 -27.3451 -27.3425 -27.3425 -10.2174 -10.2174 -10.2054 -10.2054 -9.1143 -9.1143 -9.1051 -9.1051 -9.0752 -9.0752 -9.0299 -9.0299 -0.0174 -0.0174 0.1201 0.1201 0.5323 0.5323 0.5388 0.5388 0.5738 0.5738 0.8389 0.8389 0.8680 0.8680 0.8881 0.8881 0.8964 0.8964 0.9137 0.9137 1.6065 1.6065 1.7378 1.7378 3.2650 3.2650 3.2754 3.2754 4.9561 4.9561 5.7396 5.7396 6.7057 6.7057 7.1378 7.1378 8.4038 8.4038 9.2574 9.2574 10.5211 10.5211 10.6903 10.6903 11.6029 11.6029 k = 0.2721 0.4713-0.0000 ( 4957 PWs) bands (ev): -27.3453 -27.3453 -27.3427 -27.3427 -10.2169 -10.2169 -10.2046 -10.2046 -9.1132 -9.1132 -9.1056 -9.1056 -9.0730 -9.0730 -9.0291 -9.0291 -0.0256 -0.0256 0.1058 0.1058 0.5322 0.5322 0.5372 0.5372 0.5774 0.5774 0.8348 0.8348 0.8663 0.8663 0.8879 0.8879 0.8970 0.8970 0.9143 0.9143 1.5619 1.5619 1.7008 1.7008 3.3202 3.3202 3.3349 3.3349 5.0293 5.0293 5.7718 5.7718 6.6394 6.6394 7.1490 7.1490 8.3874 8.3874 9.3371 9.3371 10.4405 10.4405 10.6764 10.6764 11.6766 11.6766 k = 0.2653 0.4595-0.0000 ( 4965 PWs) bands (ev): -27.3454 -27.3454 -27.3428 -27.3428 -10.2162 -10.2162 -10.2037 -10.2037 -9.1118 -9.1118 -9.1060 -9.1060 -9.0709 -9.0709 -9.0281 -9.0281 -0.0350 -0.0350 0.0896 0.0896 0.5319 0.5319 0.5358 0.5358 0.5809 0.5809 0.8300 0.8300 0.8644 0.8644 0.8876 0.8876 0.8975 0.8975 0.9147 0.9147 1.5148 1.5148 1.6636 1.6636 3.3808 3.3808 3.4016 3.4016 5.1071 5.1071 5.8073 5.8073 6.5689 6.5689 7.1592 7.1592 8.3768 8.3768 9.4199 9.4199 10.3590 10.3590 10.6650 10.6650 11.7525 11.7525 k = 0.2585 0.4477-0.0000 ( 4967 PWs) bands (ev): -27.3456 -27.3456 -27.3430 -27.3430 -10.2154 -10.2154 -10.2027 -10.2027 -9.1103 -9.1103 -9.1062 -9.1062 -9.0688 -9.0688 -9.0272 -9.0272 -0.0457 -0.0457 0.0714 0.0714 0.5312 0.5312 0.5346 0.5346 0.5843 0.5843 0.8245 0.8245 0.8625 0.8625 0.8874 0.8874 0.8979 0.8979 0.9149 0.9149 1.4663 1.4663 1.6266 1.6266 3.4466 3.4466 3.4750 3.4750 5.1888 5.1888 5.8460 5.8460 6.4946 6.4946 7.1682 7.1682 8.3721 8.3721 9.5058 9.5058 10.2772 10.2772 10.6559 10.6559 11.8086 11.8086 k = 0.2517 0.4360-0.0000 ( 4971 PWs) bands (ev): -27.3458 -27.3458 -27.3432 -27.3432 -10.2146 -10.2146 -10.2015 -10.2015 -9.1086 -9.1086 -9.1062 -9.1062 -9.0666 -9.0666 -9.0262 -9.0262 -0.0577 -0.0577 0.0512 0.0512 0.5299 0.5299 0.5339 0.5339 0.5875 0.5875 0.8183 0.8183 0.8605 0.8605 0.8870 0.8870 0.8984 0.8984 0.9149 0.9149 1.4178 1.4178 1.5902 1.5902 3.5173 3.5173 3.5544 3.5544 5.2740 5.2740 5.8878 5.8878 6.4173 6.4173 7.1760 7.1760 8.3735 8.3735 9.5947 9.5947 10.1959 10.1959 10.6491 10.6491 11.7217 11.7217 k = 0.2449 0.4242-0.0000 ( 4973 PWs) bands (ev): -27.3460 -27.3460 -27.3434 -27.3434 -10.2137 -10.2137 -10.2003 -10.2003 -9.1067 -9.1067 -9.1060 -9.1060 -9.0644 -9.0644 -9.0252 -9.0252 -0.0711 -0.0711 0.0291 0.0291 0.5282 0.5282 0.5335 0.5335 0.5906 0.5906 0.8112 0.8112 0.8584 0.8584 0.8866 0.8866 0.8988 0.8988 0.9148 0.9148 1.3702 1.3702 1.5546 1.5546 3.5927 3.5927 3.6395 3.6395 5.3623 5.3623 5.9325 5.9325 6.3374 6.3374 7.1826 7.1826 8.3809 8.3809 9.6865 9.6865 10.1153 10.1153 10.6444 10.6444 11.6350 11.6350 k = 0.2381 0.4124-0.0000 ( 4975 PWs) bands (ev): -27.3462 -27.3462 -27.3436 -27.3436 -10.2127 -10.2127 -10.1989 -10.1989 -9.1060 -9.1060 -9.1043 -9.1043 -9.0621 -9.0621 -9.0242 -9.0242 -0.0861 -0.0861 0.0052 0.0052 0.5262 0.5262 0.5332 0.5332 0.5935 0.5935 0.8032 0.8032 0.8564 0.8564 0.8861 0.8861 0.8991 0.8991 0.9145 0.9145 1.3246 1.3246 1.5202 1.5202 3.6726 3.6726 3.7299 3.7299 5.4533 5.4533 5.9800 5.9800 6.2556 6.2556 7.1880 7.1880 8.3943 8.3943 9.7809 9.7809 10.0358 10.0358 10.6418 10.6418 11.5492 11.5492 k = 0.2313 0.4006-0.0000 ( 4971 PWs) bands (ev): -27.3465 -27.3465 -27.3439 -27.3439 -10.2116 -10.2116 -10.1974 -10.1974 -9.1056 -9.1056 -9.1019 -9.1019 -9.0598 -9.0598 -9.0232 -9.0232 -0.1031 -0.1031 -0.0203 -0.0203 0.5241 0.5241 0.5329 0.5329 0.5961 0.5961 0.7943 0.7943 0.8543 0.8543 0.8855 0.8855 0.8995 0.8995 0.9140 0.9140 1.2816 1.2816 1.4870 1.4870 3.7566 3.7566 3.8252 3.8252 5.5466 5.5466 6.0300 6.0300 6.1726 6.1726 7.1922 7.1922 8.4136 8.4136 9.8770 9.8770 9.9586 9.9586 10.6410 10.6410 11.4645 11.4645 k = 0.2245 0.3888-0.0000 ( 4967 PWs) bands (ev): -27.3468 -27.3468 -27.3441 -27.3441 -10.2105 -10.2105 -10.1958 -10.1958 -9.1051 -9.1051 -9.0992 -9.0992 -9.0574 -9.0574 -9.0221 -9.0221 -0.1227 -0.1227 -0.0467 -0.0467 0.5220 0.5220 0.5325 0.5325 0.5986 0.5986 0.7845 0.7845 0.8522 0.8522 0.8847 0.8847 0.8998 0.8998 0.9135 0.9135 1.2418 1.2418 1.4552 1.4552 3.8447 3.8447 3.9251 3.9251 5.6419 5.6419 6.0721 6.0721 6.0992 6.0992 7.1954 7.1954 8.4387 8.4387 9.8783 9.8783 9.9803 9.9803 10.6421 10.6421 11.3812 11.3812 k = 0.2177 0.3770-0.0000 ( 4967 PWs) bands (ev): -27.3470 -27.3470 -27.3444 -27.3444 -10.2093 -10.2093 -10.1941 -10.1941 -9.1045 -9.1045 -9.0964 -9.0964 -9.0550 -9.0550 -9.0211 -9.0211 -0.1455 -0.1455 -0.0733 -0.0733 0.5198 0.5198 0.5320 0.5320 0.6009 0.6009 0.7740 0.7740 0.8500 0.8500 0.8837 0.8837 0.9001 0.9001 0.9128 0.9128 1.2055 1.2055 1.4250 1.4250 3.9367 3.9367 4.0294 4.0294 5.7389 5.7389 5.9998 5.9998 6.1421 6.1421 7.1976 7.1976 8.4694 8.4694 9.8038 9.8038 10.0817 10.0817 10.6448 10.6448 11.2996 11.2996 k = 0.2109 0.3653-0.0000 ( 4959 PWs) bands (ev): -27.3473 -27.3473 -27.3447 -27.3447 -10.2080 -10.2080 -10.1924 -10.1924 -9.1038 -9.1038 -9.0933 -9.0933 -9.0525 -9.0525 -9.0201 -9.0201 -0.1725 -0.1725 -0.0990 -0.0990 0.5176 0.5176 0.5314 0.5314 0.6030 0.6030 0.7628 0.7628 0.8479 0.8479 0.8824 0.8824 0.9004 0.9004 0.9121 0.9121 1.1731 1.1731 1.3964 1.3964 4.0323 4.0323 4.1379 4.1379 5.8372 5.8372 5.9146 5.9146 6.2003 6.2003 7.1992 7.1992 8.5055 8.5055 9.7303 9.7303 10.1860 10.1860 10.6489 10.6489 11.2196 11.2196 k = 0.2041 0.3535-0.0000 ( 4959 PWs) bands (ev): -27.3476 -27.3476 -27.3450 -27.3450 -10.2066 -10.2066 -10.1905 -10.1905 -9.1031 -9.1031 -9.0900 -9.0900 -9.0499 -9.0499 -9.0192 -9.0192 -0.2041 -0.2041 -0.1233 -0.1233 0.5155 0.5155 0.5306 0.5306 0.6048 0.6048 0.7513 0.7513 0.8457 0.8457 0.8808 0.8808 0.9007 0.9007 0.9113 0.9113 1.1443 1.1443 1.3696 1.3696 4.1315 4.1315 4.2505 4.2505 5.8287 5.8287 5.9368 5.9368 6.2614 6.2614 7.2002 7.2002 8.5467 8.5467 9.6585 9.6585 10.2925 10.2925 10.6542 10.6542 11.1415 11.1415 k = 0.1973 0.3417-0.0000 ( 4955 PWs) bands (ev): -27.3480 -27.3480 -27.3453 -27.3453 -10.2053 -10.2053 -10.1885 -10.1885 -9.1023 -9.1023 -9.0865 -9.0865 -9.0473 -9.0473 -9.0182 -9.0182 -0.2398 -0.2398 -0.1462 -0.1462 0.5133 0.5133 0.5296 0.5296 0.6065 0.6065 0.7395 0.7395 0.8436 0.8436 0.8789 0.8789 0.9010 0.9010 0.9105 0.9105 1.1191 1.1191 1.3447 1.3447 4.2340 4.2340 4.3668 4.3668 5.7432 5.7432 6.0368 6.0368 6.3251 6.3251 7.2008 7.2008 8.5929 8.5929 9.5885 9.5885 10.4007 10.4007 10.6606 10.6606 11.0652 11.0652 k = 0.1905 0.3299-0.0000 ( 4959 PWs) bands (ev): -27.3483 -27.3483 -27.3456 -27.3456 -10.2038 -10.2038 -10.1865 -10.1865 -9.1014 -9.1014 -9.0829 -9.0829 -9.0445 -9.0445 -9.0173 -9.0173 -0.2790 -0.2790 -0.1680 -0.1680 0.5112 0.5112 0.5284 0.5284 0.6080 0.6080 0.7279 0.7279 0.8414 0.8414 0.8766 0.8766 0.9014 0.9014 0.9098 0.9098 1.0971 1.0971 1.3215 1.3215 4.3399 4.3399 4.4869 4.4869 5.6582 5.6582 6.1373 6.1373 6.3914 6.3914 7.2012 7.2012 8.6438 8.6438 9.5205 9.5205 10.5104 10.5104 10.6677 10.6677 10.9907 10.9907 k = 0.1837 0.3181-0.0000 ( 4963 PWs) bands (ev): -27.3486 -27.3486 -27.3459 -27.3459 -10.2024 -10.2024 -10.1844 -10.1844 -9.1006 -9.1006 -9.0791 -9.0791 -9.0417 -9.0417 -9.0164 -9.0164 -0.3208 -0.3208 -0.1893 -0.1893 0.5092 0.5092 0.5270 0.5270 0.6093 0.6093 0.7167 0.7167 0.8392 0.8392 0.8740 0.8740 0.9019 0.9019 0.9090 0.9090 1.0781 1.0781 1.3001 1.3001 4.4490 4.4490 4.6106 4.6106 5.5740 5.5740 6.2378 6.2378 6.4601 6.4601 7.2015 7.2015 8.6992 8.6992 9.4545 9.4545 10.6199 10.6199 10.6764 10.6764 10.9182 10.9182 k = 0.1769 0.3063-0.0000 ( 4965 PWs) bands (ev): -27.3490 -27.3490 -27.3463 -27.3463 -10.2008 -10.2008 -10.1822 -10.1822 -9.0997 -9.0997 -9.0751 -9.0751 -9.0388 -9.0388 -9.0155 -9.0155 -0.3646 -0.3646 -0.2103 -0.2103 0.5072 0.5072 0.5253 0.5253 0.6103 0.6103 0.7061 0.7061 0.8370 0.8370 0.8709 0.8709 0.9024 0.9024 0.9084 0.9084 1.0618 1.0618 1.2805 1.2805 4.5611 4.5611 4.7377 4.7377 5.4909 5.4909 6.3379 6.3379 6.5310 6.5310 7.2018 7.2018 8.7588 8.7588 9.3906 9.3906 10.6781 10.6781 10.7369 10.7369 10.8479 10.8479 k = 0.1701 0.2946-0.0000 ( 4969 PWs) bands (ev): -27.3493 -27.3493 -27.3466 -27.3466 -10.1993 -10.1993 -10.1801 -10.1801 -9.0989 -9.0989 -9.0710 -9.0710 -9.0357 -9.0357 -9.0146 -9.0146 -0.4097 -0.4097 -0.2311 -0.2311 0.5053 0.5053 0.5234 0.5234 0.6112 0.6112 0.6964 0.6964 0.8347 0.8347 0.8676 0.8676 0.9029 0.9029 0.9078 0.9078 1.0476 1.0476 1.2626 1.2626 4.6761 4.6761 4.8681 4.8681 5.4091 5.4091 6.4372 6.4372 6.6043 6.6043 7.2023 7.2023 8.8225 8.8225 9.3287 9.3287 10.6860 10.6860 10.7770 10.7770 10.8503 10.8503 k = 0.1633 0.2828-0.0000 ( 4969 PWs) bands (ev): -27.3497 -27.3497 -27.3470 -27.3470 -10.1978 -10.1978 -10.1778 -10.1778 -9.0981 -9.0981 -9.0668 -9.0668 -9.0326 -9.0326 -9.0137 -9.0137 -0.4557 -0.4557 -0.2518 -0.2518 0.5034 0.5034 0.5212 0.5212 0.6118 0.6118 0.6877 0.6877 0.8325 0.8325 0.8638 0.8638 0.9036 0.9036 0.9073 0.9073 1.0354 1.0354 1.2464 1.2464 4.7941 4.7941 5.0018 5.0018 5.3288 5.3288 6.5354 6.5354 6.6797 6.6797 7.2031 7.2031 8.8901 8.8901 9.2691 9.2691 10.6910 10.6910 10.7113 10.7113 10.9618 10.9618 k = 0.1565 0.2710-0.0000 ( 4969 PWs) bands (ev): -27.3501 -27.3501 -27.3473 -27.3473 -10.1962 -10.1962 -10.1756 -10.1756 -9.0973 -9.0973 -9.0625 -9.0625 -9.0294 -9.0294 -9.0129 -9.0129 -0.5021 -0.5021 -0.2723 -0.2723 0.5016 0.5016 0.5188 0.5188 0.6121 0.6121 0.6801 0.6801 0.8303 0.8303 0.8598 0.8598 0.9043 0.9043 0.9069 0.9069 1.0249 1.0249 1.2316 1.2316 4.9148 4.9148 5.1386 5.1386 5.2503 5.2503 6.6319 6.6319 6.7572 6.7572 7.2042 7.2042 8.9613 8.9613 9.2117 9.2117 10.6459 10.6459 10.6949 10.6949 11.0732 11.0732 k = 0.1497 0.2592-0.0000 ( 4969 PWs) bands (ev): -27.3504 -27.3504 -27.3477 -27.3477 -10.1947 -10.1947 -10.1733 -10.1733 -9.0965 -9.0965 -9.0582 -9.0582 -9.0261 -9.0261 -9.0120 -9.0120 -0.5486 -0.5486 -0.2927 -0.2927 0.4999 0.4999 0.5161 0.5161 0.6122 0.6122 0.6737 0.6737 0.8281 0.8281 0.8556 0.8556 0.9050 0.9050 0.9066 0.9066 1.0158 1.0158 1.2184 1.2184 5.0380 5.0380 5.1737 5.1737 5.2787 5.2787 6.7263 6.7263 6.8367 6.8367 7.2056 7.2056 9.0358 9.0358 9.1566 9.1566 10.5832 10.5832 10.6954 10.6954 11.1816 11.1816 k = 0.1429 0.2474-0.0000 ( 4969 PWs) bands (ev): -27.3508 -27.3508 -27.3480 -27.3480 -10.1932 -10.1932 -10.1711 -10.1711 -9.0958 -9.0958 -9.0538 -9.0538 -9.0227 -9.0227 -9.0112 -9.0112 -0.5947 -0.5947 -0.3128 -0.3128 0.4983 0.4983 0.5133 0.5133 0.6119 0.6119 0.6685 0.6685 0.8259 0.8259 0.8512 0.8512 0.9054 0.9054 0.9068 0.9068 1.0078 1.0078 1.2064 1.2064 5.0983 5.0983 5.1649 5.1649 5.4215 5.4215 6.8182 6.8182 6.9180 6.9180 7.2075 7.2075 9.0995 9.0995 9.1180 9.1180 10.5227 10.5227 10.6925 10.6925 11.2323 11.2323 k = 0.1361 0.2357-0.0000 ( 4965 PWs) bands (ev): -27.3512 -27.3512 -27.3484 -27.3484 -10.1917 -10.1917 -10.1689 -10.1689 -9.0951 -9.0951 -9.0495 -9.0495 -9.0193 -9.0193 -9.0103 -9.0103 -0.6403 -0.6403 -0.3326 -0.3326 0.4968 0.4968 0.5103 0.5103 0.6114 0.6114 0.6645 0.6645 0.8238 0.8238 0.8467 0.8467 0.9054 0.9054 0.9074 0.9074 1.0008 1.0008 1.1957 1.1957 5.0265 5.0265 5.2928 5.2928 5.5672 5.5672 6.9071 6.9071 7.0009 7.0009 7.2098 7.2098 9.0519 9.0519 9.1960 9.1960 10.4646 10.4646 10.6852 10.6852 11.1882 11.1882 k = 0.1293 0.2239-0.0000 ( 4969 PWs) bands (ev): -27.3515 -27.3515 -27.3487 -27.3487 -10.1902 -10.1902 -10.1667 -10.1667 -9.0945 -9.0945 -9.0452 -9.0452 -9.0158 -9.0158 -9.0094 -9.0094 -0.6849 -0.6849 -0.3521 -0.3521 0.4952 0.4952 0.5072 0.5072 0.6106 0.6106 0.6615 0.6615 0.8216 0.8216 0.8421 0.8421 0.9053 0.9053 0.9084 0.9084 0.9947 0.9947 1.1862 1.1862 4.9567 4.9567 5.4235 5.4235 5.7157 5.7157 6.9924 6.9924 7.0854 7.0854 7.2126 7.2126 9.0034 9.0034 9.2801 9.2801 10.4090 10.4090 10.6725 10.6725 11.1531 11.1531 k = 0.1224 0.2121-0.0000 ( 4973 PWs) bands (ev): -27.3519 -27.3519 -27.3491 -27.3491 -10.1887 -10.1887 -10.1645 -10.1645 -9.0940 -9.0940 -9.0410 -9.0410 -9.0124 -9.0124 -9.0085 -9.0085 -0.7284 -0.7284 -0.3710 -0.3710 0.4937 0.4937 0.5041 0.5041 0.6096 0.6096 0.6595 0.6595 0.8195 0.8195 0.8375 0.8375 0.9051 0.9051 0.9095 0.9095 0.9893 0.9893 1.1776 1.1776 4.8895 4.8895 5.5564 5.5564 5.8669 5.8669 7.0735 7.0735 7.1712 7.1712 7.2161 7.2161 8.9571 8.9571 9.3670 9.3670 10.3562 10.3562 10.6534 10.6534 11.1276 11.1276 k = 0.1156 0.2003-0.0000 ( 4981 PWs) bands (ev): -27.3522 -27.3522 -27.3494 -27.3494 -10.1873 -10.1873 -10.1624 -10.1624 -9.0935 -9.0935 -9.0370 -9.0370 -9.0089 -9.0089 -9.0074 -9.0074 -0.7705 -0.7705 -0.3895 -0.3895 0.4922 0.4922 0.5010 0.5010 0.6085 0.6085 0.6583 0.6583 0.8174 0.8174 0.8330 0.8330 0.9049 0.9049 0.9106 0.9106 0.9845 0.9845 1.1700 1.1700 4.8250 4.8250 5.6913 5.6913 6.0206 6.0206 7.1489 7.1489 7.2211 7.2211 7.2583 7.2583 8.9130 8.9130 9.4566 9.4566 10.3062 10.3062 10.6269 10.6269 11.1119 11.1119 k = 0.1088 0.1885-0.0000 ( 4985 PWs) bands (ev): -27.3526 -27.3526 -27.3498 -27.3498 -10.1860 -10.1860 -10.1603 -10.1603 -9.0930 -9.0930 -9.0332 -9.0332 -9.0064 -9.0064 -9.0054 -9.0054 -0.8111 -0.8111 -0.4073 -0.4073 0.4906 0.4906 0.4982 0.4982 0.6073 0.6073 0.6578 0.6578 0.8153 0.8153 0.8286 0.8286 0.9048 0.9048 0.9118 0.9118 0.9802 0.9802 1.1632 1.1632 4.7633 4.7633 5.8282 5.8282 6.1767 6.1767 7.2065 7.2065 7.2395 7.2395 7.3464 7.3464 8.8711 8.8711 9.5486 9.5486 10.2592 10.2592 10.5922 10.5922 11.1063 11.1063 k = 0.1020 0.1767-0.0000 ( 4975 PWs) bands (ev): -27.3529 -27.3529 -27.3501 -27.3501 -10.1846 -10.1846 -10.1583 -10.1583 -9.0926 -9.0926 -9.0296 -9.0296 -9.0050 -9.0050 -9.0020 -9.0020 -0.8500 -0.8500 -0.4244 -0.4244 0.4889 0.4889 0.4956 0.4956 0.6061 0.6061 0.6578 0.6578 0.8131 0.8131 0.8245 0.8245 0.9047 0.9047 0.9131 0.9131 0.9764 0.9764 1.1572 1.1572 4.7047 4.7047 5.9667 5.9667 6.3351 6.3351 7.2206 7.2206 7.2964 7.2964 7.4355 7.4355 8.8314 8.8314 9.6428 9.6428 10.2153 10.2153 10.5487 10.5487 11.1106 11.1106 k = 0.0952 0.1650-0.0000 ( 4963 PWs) bands (ev): -27.3532 -27.3532 -27.3504 -27.3504 -10.1834 -10.1834 -10.1564 -10.1564 -9.0923 -9.0923 -9.0264 -9.0264 -9.0035 -9.0035 -8.9987 -8.9987 -0.8869 -0.8869 -0.4407 -0.4407 0.4869 0.4869 0.4935 0.4935 0.6049 0.6049 0.6582 0.6582 0.8109 0.8109 0.8207 0.8207 0.9046 0.9046 0.9144 0.9144 0.9729 0.9729 1.1519 1.1519 4.6492 4.6492 6.1067 6.1067 6.4956 6.4956 7.2260 7.2260 7.3567 7.3567 7.5253 7.5253 8.7940 8.7940 9.7387 9.7387 10.1745 10.1745 10.4960 10.4960 11.1221 11.1221 k = 0.0884 0.1532-0.0000 ( 4969 PWs) bands (ev): -27.3535 -27.3535 -27.3507 -27.3507 -10.1822 -10.1822 -10.1546 -10.1546 -9.0920 -9.0920 -9.0237 -9.0237 -9.0018 -9.0018 -8.9955 -8.9955 -0.9219 -0.9219 -0.4562 -0.4562 0.4847 0.4847 0.4918 0.4918 0.6037 0.6037 0.6589 0.6589 0.8086 0.8086 0.8173 0.8173 0.9045 0.9045 0.9157 0.9157 0.9698 0.9698 1.1471 1.1471 4.5970 4.5970 6.2479 6.2479 6.6580 6.6580 7.2305 7.2305 7.4124 7.4124 7.6155 7.6155 8.7589 8.7589 9.8362 9.8362 10.1367 10.1367 10.4341 10.4341 11.0418 11.0418 k = 0.0816 0.1414-0.0000 ( 4969 PWs) bands (ev): -27.3538 -27.3538 -27.3510 -27.3510 -10.1811 -10.1811 -10.1529 -10.1529 -9.0917 -9.0917 -9.0213 -9.0213 -8.9998 -8.9998 -8.9924 -8.9924 -0.9546 -0.9546 -0.4708 -0.4708 0.4823 0.4823 0.4904 0.4904 0.6026 0.6026 0.6599 0.6599 0.8060 0.8060 0.8144 0.8144 0.9044 0.9044 0.9170 0.9170 0.9670 0.9670 1.1430 1.1430 4.5482 4.5482 6.3898 6.3898 6.8220 6.8220 7.2348 7.2348 7.4626 7.4626 7.7059 7.7059 8.7260 8.7260 9.9348 9.9348 10.1021 10.1021 10.3631 10.3631 10.9270 10.9270 k = 0.0748 0.1296-0.0000 ( 4969 PWs) bands (ev): -27.3541 -27.3541 -27.3512 -27.3512 -10.1801 -10.1801 -10.1513 -10.1513 -9.0915 -9.0915 -9.0194 -9.0194 -8.9977 -8.9977 -8.9894 -8.9894 -0.9852 -0.9852 -0.4845 -0.4845 0.4800 0.4800 0.4893 0.4893 0.6016 0.6016 0.6610 0.6610 0.8032 0.8032 0.8120 0.8120 0.9043 0.9043 0.9183 0.9183 0.9645 0.9645 1.1393 1.1393 4.5028 4.5028 6.5322 6.5322 6.9874 6.9874 7.2389 7.2389 7.5074 7.5074 7.7959 7.7959 8.6955 8.6955 10.0340 10.0340 10.0705 10.0705 10.2833 10.2833 10.8100 10.8100 k = 0.0680 0.1178-0.0000 ( 4977 PWs) bands (ev): -27.3544 -27.3544 -27.3515 -27.3515 -10.1791 -10.1791 -10.1498 -10.1498 -9.0913 -9.0913 -9.0179 -9.0179 -8.9954 -8.9954 -8.9866 -8.9866 -1.0133 -1.0133 -0.4971 -0.4971 0.4777 0.4777 0.4883 0.4883 0.6007 0.6007 0.6622 0.6622 0.8004 0.8004 0.8100 0.8100 0.9042 0.9042 0.9196 0.9196 0.9622 0.9622 1.1361 1.1361 4.4610 4.4610 6.6744 6.6744 7.1536 7.1536 7.2430 7.2430 7.5469 7.5469 7.8851 7.8851 8.6674 8.6674 10.0417 10.0417 10.1332 10.1332 10.1951 10.1951 10.6933 10.6933 k = 0.0612 0.1060-0.0000 ( 4979 PWs) bands (ev): -27.3546 -27.3546 -27.3517 -27.3517 -10.1782 -10.1782 -10.1484 -10.1484 -9.0911 -9.0911 -9.0166 -9.0166 -8.9931 -8.9931 -8.9840 -8.9840 -1.0390 -1.0390 -0.5087 -0.5087 0.4755 0.4755 0.4875 0.4875 0.5999 0.5999 0.6635 0.6635 0.7975 0.7975 0.8084 0.8084 0.9041 0.9041 0.9208 0.9208 0.9601 0.9601 1.1333 1.1333 4.4229 4.4229 6.8157 6.8157 7.2465 7.2465 7.3204 7.3204 7.5814 7.5814 7.9729 7.9729 8.6416 8.6416 10.0158 10.0158 10.0990 10.0990 10.2315 10.2315 10.5792 10.5792 k = 0.0544 0.0943-0.0000 ( 4971 PWs) bands (ev): -27.3548 -27.3548 -27.3519 -27.3519 -10.1774 -10.1774 -10.1472 -10.1472 -9.0910 -9.0910 -9.0157 -9.0157 -8.9909 -8.9909 -8.9816 -8.9816 -1.0622 -1.0622 -0.5191 -0.5191 0.4736 0.4736 0.4868 0.4868 0.5992 0.5992 0.6648 0.6648 0.7949 0.7949 0.8071 0.8071 0.9040 0.9040 0.9220 0.9220 0.9583 0.9583 1.1309 1.1309 4.3886 4.3886 6.9551 6.9551 7.2502 7.2502 7.4856 7.4856 7.6120 7.6120 8.0583 8.0583 8.6184 8.6184 9.9919 9.9919 9.9969 9.9969 10.3277 10.3277 10.4703 10.4703 k = 0.0476 0.0825-0.0000 ( 4975 PWs) bands (ev): -27.3550 -27.3550 -27.3521 -27.3521 -10.1767 -10.1767 -10.1461 -10.1461 -9.0908 -9.0908 -9.0149 -9.0149 -8.9887 -8.9887 -8.9794 -8.9794 -1.0829 -1.0829 -0.5284 -0.5284 0.4719 0.4719 0.4862 0.4862 0.5985 0.5985 0.6660 0.6660 0.7924 0.7924 0.8059 0.8059 0.9040 0.9040 0.9231 0.9231 0.9566 0.9566 1.1289 1.1289 4.3581 4.3581 7.0914 7.0914 7.2536 7.2536 7.6230 7.6230 7.6647 7.6647 8.1405 8.1405 8.5976 8.5976 9.8887 9.8887 9.9717 9.9717 10.3650 10.3650 10.4239 10.4239 k = 0.0408 0.0707-0.0000 ( 4971 PWs) bands (ev): -27.3552 -27.3552 -27.3522 -27.3522 -10.1761 -10.1761 -10.1451 -10.1451 -9.0907 -9.0907 -9.0144 -9.0144 -8.9868 -8.9868 -8.9775 -8.9775 -1.1009 -1.1009 -0.5366 -0.5366 0.4704 0.4704 0.4857 0.4857 0.5980 0.5980 0.6672 0.6672 0.7901 0.7901 0.8050 0.8050 0.9039 0.9039 0.9241 0.9241 0.9552 0.9552 1.1272 1.1272 4.3315 4.3315 7.2221 7.2221 7.2575 7.2575 7.6523 7.6523 7.8184 7.8184 8.2181 8.2181 8.5795 8.5795 9.7788 9.7788 9.9530 9.9530 10.2721 10.2721 10.5111 10.5111 k = 0.0340 0.0589-0.0000 ( 4965 PWs) bands (ev): -27.3553 -27.3553 -27.3524 -27.3524 -10.1756 -10.1756 -10.1443 -10.1443 -9.0907 -9.0907 -9.0139 -9.0139 -8.9850 -8.9850 -8.9759 -8.9759 -1.1161 -1.1161 -0.5435 -0.5435 0.4691 0.4691 0.4852 0.4852 0.5975 0.5975 0.6683 0.6683 0.7882 0.7882 0.8042 0.8042 0.9039 0.9039 0.9250 0.9250 0.9540 0.9540 1.1258 1.1258 4.3090 4.3090 7.2586 7.2586 7.3479 7.3479 7.6699 7.6699 7.9749 7.9749 8.2897 8.2897 8.5639 8.5639 9.6702 9.6702 9.9357 9.9357 10.1877 10.1877 10.4157 10.4157 k = 0.0272 0.0471-0.0000 ( 4965 PWs) bands (ev): -27.3554 -27.3554 -27.3525 -27.3525 -10.1752 -10.1752 -10.1436 -10.1436 -9.0906 -9.0906 -9.0136 -9.0136 -8.9836 -8.9836 -8.9745 -8.9745 -1.1287 -1.1287 -0.5492 -0.5492 0.4680 0.4680 0.4849 0.4849 0.5971 0.5971 0.6692 0.6692 0.7865 0.7865 0.8036 0.8036 0.9038 0.9038 0.9258 0.9258 0.9529 0.9529 1.1246 1.1246 4.2904 4.2904 7.2610 7.2610 7.4612 7.4612 7.6835 7.6835 8.1233 8.1233 8.3533 8.3533 8.5510 8.5510 9.5677 9.5677 9.9186 9.9186 10.1143 10.1143 10.2574 10.2574 k = 0.0204 0.0353-0.0000 ( 4965 PWs) bands (ev): -27.3555 -27.3555 -27.3526 -27.3526 -10.1748 -10.1748 -10.1431 -10.1431 -9.0906 -9.0906 -9.0133 -9.0133 -8.9824 -8.9824 -8.9734 -8.9734 -1.1385 -1.1385 -0.5537 -0.5537 0.4671 0.4671 0.4846 0.4846 0.5968 0.5968 0.6700 0.6700 0.7852 0.7852 0.8031 0.8031 0.9037 0.9037 0.9264 0.9264 0.9521 0.9521 1.1238 1.1238 4.2759 4.2759 7.2627 7.2627 7.5593 7.5593 7.6938 7.6938 8.2571 8.2571 8.4070 8.4070 8.5408 8.5408 9.4768 9.4768 9.8982 9.8982 10.0532 10.0532 10.1231 10.1231 k = 0.0136 0.0236-0.0000 ( 4953 PWs) bands (ev): -27.3556 -27.3556 -27.3526 -27.3526 -10.1746 -10.1746 -10.1427 -10.1427 -9.0905 -9.0905 -9.0131 -9.0131 -8.9816 -8.9816 -8.9727 -8.9727 -1.1455 -1.1455 -0.5569 -0.5569 0.4665 0.4665 0.4845 0.4845 0.5966 0.5966 0.6706 0.6706 0.7842 0.7842 0.8028 0.8028 0.9037 0.9037 0.9269 0.9269 0.9515 0.9515 1.1232 1.1232 4.2655 4.2655 7.2640 7.2640 7.6359 7.6359 7.7018 7.7018 8.3667 8.3667 8.4494 8.4494 8.5329 8.5329 9.4043 9.4043 9.8669 9.8669 10.0037 10.0037 10.0320 10.0320 k = 0.0068 0.0118-0.0000 ( 4961 PWs) bands (ev): -27.3556 -27.3556 -27.3527 -27.3527 -10.1744 -10.1744 -10.1424 -10.1424 -9.0905 -9.0905 -9.0130 -9.0130 -8.9810 -8.9810 -8.9722 -8.9722 -1.1498 -1.1498 -0.5588 -0.5588 0.4661 0.4661 0.4843 0.4843 0.5965 0.5965 0.6709 0.6709 0.7836 0.7836 0.8026 0.8026 0.9037 0.9037 0.9272 0.9272 0.9512 0.9512 1.1228 1.1228 4.2593 4.2593 7.2648 7.2648 7.6822 7.6822 7.7098 7.7098 8.4367 8.4367 8.4819 8.4819 8.5270 8.5270 9.3570 9.3570 9.8272 9.8272 9.9690 9.9690 9.9933 9.9933 k = 0.0000 0.0000 0.0000 ( 4963 PWs) bands (ev): -27.3556 -27.3556 -27.3527 -27.3527 -10.1744 -10.1744 -10.1424 -10.1424 -9.0905 -9.0905 -9.0130 -9.0130 -8.9809 -8.9809 -8.9720 -8.9720 -1.1512 -1.1512 -0.5594 -0.5594 0.4660 0.4660 0.4843 0.4843 0.5965 0.5965 0.6710 0.6710 0.7834 0.7834 0.8025 0.8025 0.9037 0.9037 0.9273 0.9273 0.9511 0.9511 1.1227 1.1227 4.2572 4.2572 7.2651 7.2651 7.6941 7.6941 7.7167 7.7167 8.4576 8.4576 8.4992 8.4992 8.5231 8.5231 9.3405 9.3405 9.8084 9.8084 9.9583 9.9583 9.9829 9.9829 k = 0.0000 0.0000 0.0000 ( 4963 PWs) bands (ev): -27.3556 -27.3556 -27.3527 -27.3527 -10.1744 -10.1744 -10.1424 -10.1424 -9.0905 -9.0905 -9.0130 -9.0130 -8.9809 -8.9809 -8.9720 -8.9720 -1.1512 -1.1512 -0.5594 -0.5594 0.4660 0.4660 0.4843 0.4843 0.5965 0.5965 0.6710 0.6710 0.7834 0.7834 0.8025 0.8025 0.9037 0.9037 0.9273 0.9273 0.9511 0.9511 1.1227 1.1227 4.2572 4.2572 7.2651 7.2651 7.6941 7.6941 7.7167 7.7167 8.4576 8.4576 8.4992 8.4992 8.5231 8.5231 9.3405 9.3405 9.8084 9.8084 9.9583 9.9583 9.9829 9.9829 k = 0.0000 0.0000 0.0132 ( 4963 PWs) bands (ev): -27.3556 -27.3556 -27.3527 -27.3527 -10.1743 -10.1743 -10.1424 -10.1424 -9.0904 -9.0904 -9.0132 -9.0132 -8.9808 -8.9808 -8.9721 -8.9721 -1.1501 -1.1501 -0.5606 -0.5606 0.4661 0.4661 0.4842 0.4842 0.5966 0.5966 0.6708 0.6708 0.7835 0.7835 0.8025 0.8025 0.9038 0.9038 0.9272 0.9272 0.9512 0.9512 1.1220 1.1220 4.2614 4.2614 7.2489 7.2489 7.6951 7.6951 7.7177 7.7177 8.4553 8.4553 8.4968 8.4968 8.5391 8.5391 9.3412 9.3412 9.8079 9.8079 9.9600 9.9600 9.9847 9.9847 k = 0.0000 0.0000 0.0265 ( 4957 PWs) bands (ev): -27.3556 -27.3556 -27.3527 -27.3527 -10.1741 -10.1741 -10.1426 -10.1426 -9.0900 -9.0900 -9.0136 -9.0136 -8.9808 -8.9808 -8.9721 -8.9721 -1.1470 -1.1470 -0.5642 -0.5642 0.4662 0.4662 0.4841 0.4841 0.5969 0.5969 0.6703 0.6703 0.7836 0.7836 0.8024 0.8024 0.9039 0.9039 0.9271 0.9271 0.9517 0.9517 1.1200 1.1200 4.2739 4.2739 7.2026 7.2026 7.6982 7.6982 7.7208 7.7208 8.4484 8.4484 8.4896 8.4896 8.5847 8.5847 9.3434 9.3434 9.8065 9.8065 9.9653 9.9653 9.9901 9.9901 k = 0.0000 0.0000 0.0397 ( 4969 PWs) bands (ev): -27.3556 -27.3556 -27.3527 -27.3527 -10.1738 -10.1738 -10.1429 -10.1429 -9.0893 -9.0893 -9.0144 -9.0144 -8.9807 -8.9807 -8.9722 -8.9722 -1.1418 -1.1418 -0.5701 -0.5701 0.4663 0.4663 0.4840 0.4840 0.5974 0.5974 0.6693 0.6693 0.7837 0.7837 0.8022 0.8022 0.9041 0.9041 0.9268 0.9268 0.9525 0.9525 1.1166 1.1166 4.2946 4.2946 7.1318 7.1318 7.7033 7.7033 7.7260 7.7260 8.4372 8.4372 8.4779 8.4779 8.6543 8.6543 9.3469 9.3469 9.8042 9.8042 9.9741 9.9741 9.9991 9.9991 k = 0.0000 0.0000 0.0530 ( 4957 PWs) bands (ev): -27.3555 -27.3555 -27.3528 -27.3528 -10.1734 -10.1734 -10.1433 -10.1433 -9.0883 -9.0883 -9.0155 -9.0155 -8.9806 -8.9806 -8.9723 -8.9723 -1.1346 -1.1346 -0.5783 -0.5783 0.4666 0.4666 0.4837 0.4837 0.5981 0.5981 0.6681 0.6681 0.7840 0.7840 0.8019 0.8019 0.9044 0.9044 0.9265 0.9265 0.9536 0.9536 1.1121 1.1121 4.3233 4.3233 7.0430 7.0430 7.7104 7.7104 7.7332 7.7332 8.4219 8.4219 8.4620 8.4620 8.7413 8.7413 9.3518 9.3518 9.8012 9.8012 9.9865 9.9865 10.0117 10.0117 k = 0.0000 0.0000 0.0662 ( 4957 PWs) bands (ev): -27.3555 -27.3555 -27.3528 -27.3528 -10.1728 -10.1728 -10.1438 -10.1438 -9.0871 -9.0871 -9.0169 -9.0169 -8.9805 -8.9805 -8.9725 -8.9725 -1.1254 -1.1254 -0.5888 -0.5888 0.4669 0.4669 0.4834 0.4834 0.5991 0.5991 0.6665 0.6665 0.7844 0.7844 0.8016 0.8016 0.9048 0.9048 0.9261 0.9261 0.9549 0.9549 1.1065 1.1065 4.3599 4.3599 6.9414 6.9414 7.7195 7.7195 7.7425 7.7425 8.4028 8.4028 8.4421 8.4421 8.8401 8.8401 9.3582 9.3582 9.7976 9.7976 10.0023 10.0023 10.0278 10.0278 k = 0.0000 0.0000 0.0795 ( 4945 PWs) bands (ev): -27.3554 -27.3554 -27.3529 -27.3529 -10.1721 -10.1721 -10.1444 -10.1444 -9.0856 -9.0856 -9.0185 -9.0185 -8.9803 -8.9803 -8.9726 -8.9726 -1.1142 -1.1142 -0.6014 -0.6014 0.4673 0.4673 0.4831 0.4831 0.6002 0.6002 0.6646 0.6646 0.7848 0.7848 0.8012 0.8012 0.9053 0.9053 0.9257 0.9257 0.9567 0.9567 1.1000 1.1000 4.4040 4.4040 6.8313 6.8313 7.7306 7.7306 7.7538 7.7538 8.3804 8.3804 8.4189 8.4189 8.9464 8.9464 9.3658 9.3658 9.7941 9.7941 10.0217 10.0217 10.0476 10.0476 k = 0.0000 0.0000 0.0927 ( 4957 PWs) bands (ev): -27.3554 -27.3554 -27.3530 -27.3530 -10.1713 -10.1713 -10.1451 -10.1451 -9.0839 -9.0839 -9.0205 -9.0205 -8.9801 -8.9801 -8.9728 -8.9728 -1.1012 -1.1012 -0.6160 -0.6160 0.4677 0.4677 0.4826 0.4826 0.6015 0.6015 0.6625 0.6625 0.7852 0.7852 0.8008 0.8008 0.9058 0.9058 0.9251 0.9251 0.9587 0.9587 1.0928 1.0928 4.4554 4.4554 6.7153 6.7153 7.7437 7.7437 7.7671 7.7671 8.3551 8.3551 8.3926 8.3926 9.0567 9.0567 9.3747 9.3747 9.7911 9.7911 10.0445 10.0445 10.0709 10.0709 k = 0.0000 0.0000 0.1059 ( 4944 PWs) bands (ev): -27.3553 -27.3553 -27.3530 -27.3530 -10.1704 -10.1704 -10.1459 -10.1459 -9.0820 -9.0820 -9.0226 -9.0226 -8.9798 -8.9798 -8.9731 -8.9731 -1.0864 -1.0864 -0.6326 -0.6326 0.4682 0.4682 0.4822 0.4822 0.6031 0.6031 0.6601 0.6601 0.7857 0.7857 0.8003 0.8003 0.9064 0.9064 0.9245 0.9245 0.9611 0.9611 1.0850 1.0850 4.5138 4.5138 6.5957 6.5957 7.7587 7.7587 7.7823 7.7823 8.3273 8.3273 8.3639 8.3639 9.1677 9.1677 9.3848 9.3848 9.7901 9.7901 10.0709 10.0709 10.0977 10.0977 k = 0.0000 0.0000 0.1192 ( 4944 PWs) bands (ev): -27.3552 -27.3552 -27.3531 -27.3531 -10.1694 -10.1694 -10.1468 -10.1468 -9.0798 -9.0798 -9.0250 -9.0250 -8.9796 -8.9796 -8.9733 -8.9733 -1.0698 -1.0698 -0.6509 -0.6509 0.4687 0.4687 0.4816 0.4816 0.6048 0.6048 0.6574 0.6574 0.7863 0.7863 0.7997 0.7997 0.9071 0.9071 0.9238 0.9238 0.9638 0.9638 1.0768 1.0768 4.5787 4.5787 6.4739 6.4739 7.7756 7.7756 7.7994 7.7994 8.2976 8.2976 8.3332 8.3332 9.2758 9.2758 9.3960 9.3960 9.7934 9.7934 10.1007 10.1007 10.1281 10.1281 k = 0.0000 0.0000 0.1324 ( 4944 PWs) bands (ev): -27.3551 -27.3551 -27.3532 -27.3532 -10.1683 -10.1683 -10.1478 -10.1478 -9.0774 -9.0774 -9.0276 -9.0276 -8.9793 -8.9793 -8.9736 -8.9736 -1.0517 -1.0517 -0.6708 -0.6708 0.4693 0.4693 0.4810 0.4810 0.6068 0.6068 0.6545 0.6545 0.7869 0.7869 0.7991 0.7991 0.9079 0.9079 0.9231 0.9231 0.9668 0.9668 1.0684 1.0684 4.6499 4.6499 6.3509 6.3509 7.7943 7.7943 7.8185 7.8185 8.2663 8.2663 8.3009 8.3009 9.3757 9.3757 9.4083 9.4083 9.8055 9.8055 10.1339 10.1339 10.1620 10.1620 k = 0.0000 0.0000 0.1457 ( 4950 PWs) bands (ev): -27.3550 -27.3550 -27.3533 -27.3533 -10.1672 -10.1672 -10.1488 -10.1488 -9.0749 -9.0749 -9.0304 -9.0304 -8.9790 -8.9790 -8.9739 -8.9739 -1.0322 -1.0322 -0.6922 -0.6922 0.4700 0.4700 0.4804 0.4804 0.6089 0.6089 0.6515 0.6515 0.7876 0.7876 0.7985 0.7985 0.9087 0.9087 0.9222 0.9222 0.9702 0.9702 1.0598 1.0598 4.7269 4.7269 6.2276 6.2276 7.8148 7.8148 7.8393 7.8393 8.2339 8.2339 8.2676 8.2676 9.4216 9.4216 9.4590 9.4590 9.8339 9.8339 10.1706 10.1706 10.1994 10.1994 k = 0.0000 0.0000 0.1589 ( 4968 PWs) bands (ev): -27.3549 -27.3549 -27.3534 -27.3534 -10.1660 -10.1660 -10.1500 -10.1500 -9.0721 -9.0721 -9.0334 -9.0334 -8.9787 -8.9787 -8.9742 -8.9742 -1.0112 -1.0112 -0.7148 -0.7148 0.4706 0.4706 0.4797 0.4797 0.6111 0.6111 0.6483 0.6483 0.7883 0.7883 0.7978 0.7978 0.9095 0.9095 0.9213 0.9213 0.9740 0.9740 1.0513 1.0513 4.8094 4.8094 6.1046 6.1046 7.8371 7.8371 7.8619 7.8619 8.2007 8.2007 8.2334 8.2334 9.4356 9.4356 9.5170 9.5170 9.8872 9.8872 10.2107 10.2107 10.2402 10.2402 k = 0.0000 0.0000 0.1721 ( 4968 PWs) bands (ev): -27.3548 -27.3548 -27.3535 -27.3535 -10.1647 -10.1647 -10.1512 -10.1512 -9.0692 -9.0692 -9.0365 -9.0365 -8.9783 -8.9783 -8.9746 -8.9746 -0.9891 -0.9891 -0.7385 -0.7385 0.4713 0.4713 0.4790 0.4790 0.6136 0.6136 0.6450 0.6450 0.7890 0.7890 0.7970 0.7970 0.9104 0.9104 0.9204 0.9204 0.9782 0.9782 1.0429 1.0429 4.8971 4.8971 5.9826 5.9826 7.8610 7.8610 7.8863 7.8863 8.1670 8.1670 8.1989 8.1989 9.4504 9.4504 9.5479 9.5479 9.9669 9.9669 10.2541 10.2541 10.2846 10.2846 k = 0.0000 0.0000 0.1854 ( 4968 PWs) bands (ev): -27.3547 -27.3547 -27.3537 -27.3537 -10.1634 -10.1634 -10.1524 -10.1524 -9.0662 -9.0662 -9.0397 -9.0397 -8.9780 -8.9780 -8.9749 -8.9749 -0.9659 -0.9659 -0.7631 -0.7631 0.4721 0.4721 0.4783 0.4783 0.6163 0.6163 0.6417 0.6417 0.7898 0.7898 0.7963 0.7963 0.9114 0.9114 0.9195 0.9195 0.9828 0.9828 1.0348 1.0348 4.9895 4.9895 5.8619 5.8619 7.8865 7.8865 7.9122 7.9122 8.1333 8.1333 8.1643 8.1643 9.4657 9.4657 9.5591 9.5591 10.0654 10.0654 10.3009 10.3009 10.3323 10.3323 k = 0.0000 0.0000 0.1986 ( 4980 PWs) bands (ev): -27.3545 -27.3545 -27.3538 -27.3538 -10.1620 -10.1620 -10.1537 -10.1537 -9.0630 -9.0630 -9.0430 -9.0430 -8.9776 -8.9776 -8.9753 -8.9753 -0.9418 -0.9418 -0.7883 -0.7883 0.4728 0.4728 0.4775 0.4775 0.6191 0.6191 0.6383 0.6383 0.7905 0.7905 0.7955 0.7955 0.9123 0.9123 0.9185 0.9185 0.9879 0.9879 1.0269 1.0269 5.0864 5.0864 5.7430 5.7430 7.9134 7.9134 7.9397 7.9397 8.0997 8.0997 8.1299 8.1299 9.4813 9.4813 9.5585 9.5585 10.1748 10.1748 10.3509 10.3509 10.3835 10.3835 k = 0.0000 0.0000 0.2119 ( 4974 PWs) bands (ev): -27.3544 -27.3544 -27.3539 -27.3539 -10.1606 -10.1606 -10.1551 -10.1551 -9.0598 -9.0598 -9.0463 -9.0463 -8.9772 -8.9772 -8.9757 -8.9757 -0.9169 -0.9169 -0.8139 -0.8139 0.4736 0.4736 0.4767 0.4767 0.6221 0.6221 0.6349 0.6349 0.7913 0.7913 0.7946 0.7946 0.9134 0.9134 0.9175 0.9175 0.9933 0.9933 1.0194 1.0194 5.1875 5.1875 5.6263 5.6263 7.9418 7.9418 7.9686 7.9686 8.0665 8.0665 8.0959 8.0959 9.4969 9.4969 9.5513 9.5513 10.2898 10.2898 10.4039 10.4039 10.4380 10.4380 k = 0.0000 0.0000 0.2251 ( 4980 PWs) bands (ev): -27.3543 -27.3543 -27.3540 -27.3540 -10.1592 -10.1592 -10.1564 -10.1564 -9.0565 -9.0565 -9.0497 -9.0497 -8.9768 -8.9768 -8.9761 -8.9761 -0.8915 -0.8915 -0.8398 -0.8398 0.4743 0.4743 0.4759 0.4759 0.6251 0.6251 0.6316 0.6316 0.7922 0.7922 0.7938 0.7938 0.9144 0.9144 0.9164 0.9164 0.9992 0.9992 1.0122 1.0122 5.2923 5.2923 5.5120 5.5120 7.9714 7.9714 7.9988 7.9988 8.0339 8.0339 8.0626 8.0626 9.5123 9.5123 9.5403 9.5403 10.4068 10.4068 10.4592 10.4592 10.4959 10.4959 k = 0.0000 0.0000 0.2384 ( 4980 PWs) bands (ev): -27.3542 -27.3542 -27.3542 -27.3542 -10.1578 -10.1578 -10.1578 -10.1578 -9.0531 -9.0531 -9.0531 -9.0531 -8.9765 -8.9765 -8.9765 -8.9765 -0.8657 -0.8657 -0.8657 -0.8657 0.4751 0.4751 0.4751 0.4751 0.6283 0.6283 0.6283 0.6283 0.7930 0.7930 0.7930 0.7930 0.9154 0.9154 0.9154 0.9154 1.0055 1.0055 1.0055 1.0055 5.4006 5.4006 5.4006 5.4006 8.0022 8.0022 8.0022 8.0022 8.0302 8.0302 8.0302 8.0302 9.5269 9.5269 9.5269 9.5269 10.5014 10.5014 10.5014 10.5014 10.5515 10.5515 k = 0.0000 0.0000 0.2384 ( 4980 PWs) bands (ev): -27.3542 -27.3542 -27.3542 -27.3542 -10.1578 -10.1578 -10.1578 -10.1578 -9.0531 -9.0531 -9.0531 -9.0531 -8.9765 -8.9765 -8.9765 -8.9765 -0.8657 -0.8657 -0.8657 -0.8657 0.4751 0.4751 0.4751 0.4751 0.6283 0.6283 0.6283 0.6283 0.7930 0.7930 0.7930 0.7930 0.9154 0.9154 0.9154 0.9154 1.0055 1.0055 1.0055 1.0055 5.4006 5.4006 5.4006 5.4006 8.0022 8.0022 8.0022 8.0022 8.0302 8.0302 8.0302 8.0302 9.5269 9.5269 9.5269 9.5269 10.5014 10.5014 10.5014 10.5014 10.5515 10.5515 k = 0.0116 0.0067 0.2384 ( 4980 PWs) bands (ev): -27.3542 -27.3542 -27.3542 -27.3542 -10.1579 -10.1579 -10.1579 -10.1579 -9.0531 -9.0531 -9.0531 -9.0531 -8.9766 -8.9766 -8.9766 -8.9766 -0.8647 -0.8647 -0.8647 -0.8647 0.4752 0.4752 0.4752 0.4752 0.6283 0.6283 0.6283 0.6283 0.7931 0.7931 0.7931 0.7931 0.9154 0.9154 0.9154 0.9154 1.0056 1.0056 1.0056 1.0056 5.4019 5.4019 5.4019 5.4019 7.9890 7.9890 7.9890 7.9890 8.0211 8.0211 8.0211 8.0211 9.5438 9.5438 9.5438 9.5438 10.4637 10.4637 10.4637 10.4637 10.5435 10.5435 k = 0.0233 0.0134 0.2384 ( 4970 PWs) bands (ev): -27.3541 -27.3541 -27.3541 -27.3541 -10.1581 -10.1581 -10.1581 -10.1581 -9.0532 -9.0532 -9.0532 -9.0532 -8.9771 -8.9771 -8.9771 -8.9771 -0.8615 -0.8615 -0.8615 -0.8615 0.4755 0.4755 0.4755 0.4755 0.6283 0.6283 0.6283 0.6283 0.7935 0.7935 0.7935 0.7935 0.9152 0.9152 0.9152 0.9152 1.0061 1.0061 1.0061 1.0061 5.4057 5.4057 5.4057 5.4057 7.9391 7.9391 7.9391 7.9391 8.0070 8.0070 8.0070 8.0070 9.5913 9.5913 9.5913 9.5913 10.4066 10.4066 10.4066 10.4066 10.5497 10.5497 k = 0.0349 0.0201 0.2384 ( 4970 PWs) bands (ev): -27.3540 -27.3540 -27.3540 -27.3540 -10.1584 -10.1584 -10.1584 -10.1584 -9.0533 -9.0533 -9.0533 -9.0533 -8.9779 -8.9779 -8.9779 -8.9779 -0.8563 -0.8563 -0.8563 -0.8563 0.4758 0.4758 0.4758 0.4758 0.6283 0.6283 0.6283 0.6283 0.7940 0.7940 0.7940 0.7940 0.9150 0.9150 0.9150 0.9150 1.0068 1.0068 1.0068 1.0068 5.4121 5.4121 5.4121 5.4121 7.8564 7.8564 7.8564 7.8564 7.9906 7.9906 7.9906 7.9906 9.6611 9.6611 9.6611 9.6611 10.3520 10.3520 10.3520 10.3520 10.5615 10.5615 k = 0.0465 0.0269 0.2384 ( 4972 PWs) bands (ev): -27.3540 -27.3540 -27.3540 -27.3540 -10.1588 -10.1588 -10.1588 -10.1588 -9.0534 -9.0534 -9.0534 -9.0534 -8.9790 -8.9790 -8.9790 -8.9790 -0.8489 -0.8489 -0.8489 -0.8489 0.4763 0.4763 0.4763 0.4763 0.6282 0.6282 0.6282 0.6282 0.7948 0.7948 0.7948 0.7948 0.9147 0.9147 0.9147 0.9147 1.0077 1.0077 1.0077 1.0077 5.4211 5.4211 5.4211 5.4211 7.7508 7.7508 7.7508 7.7508 7.9696 7.9696 7.9696 7.9696 9.7420 9.7420 9.7420 9.7420 10.3057 10.3057 10.3057 10.3057 10.5781 10.5781 k = 0.0581 0.0336 0.2384 ( 4976 PWs) bands (ev): -27.3538 -27.3538 -27.3538 -27.3538 -10.1594 -10.1594 -10.1594 -10.1594 -9.0536 -9.0536 -9.0536 -9.0536 -8.9803 -8.9803 -8.9803 -8.9803 -0.8395 -0.8395 -0.8395 -0.8395 0.4770 0.4770 0.4770 0.4770 0.6282 0.6282 0.6282 0.6282 0.7958 0.7958 0.7958 0.7958 0.9142 0.9142 0.9142 0.9142 1.0090 1.0090 1.0090 1.0090 5.4324 5.4324 5.4324 5.4324 7.6293 7.6293 7.6293 7.6293 7.9438 7.9438 7.9438 7.9438 9.8189 9.8189 9.8189 9.8189 10.2762 10.2762 10.2762 10.2762 10.5990 10.5990 k = 0.0698 0.0403 0.2384 ( 4980 PWs) bands (ev): -27.3537 -27.3537 -27.3537 -27.3537 -10.1600 -10.1600 -10.1600 -10.1600 -9.0538 -9.0538 -9.0538 -9.0538 -8.9820 -8.9820 -8.9820 -8.9820 -0.8281 -0.8281 -0.8281 -0.8281 0.4778 0.4778 0.4778 0.4778 0.6281 0.6281 0.6281 0.6281 0.7970 0.7970 0.7970 0.7970 0.9138 0.9138 0.9138 0.9138 1.0106 1.0106 1.0106 1.0106 5.4462 5.4462 5.4462 5.4462 7.4970 7.4970 7.4970 7.4970 7.9134 7.9134 7.9134 7.9134 9.8717 9.8717 9.8717 9.8717 10.2786 10.2786 10.2786 10.2786 10.6240 10.6240 k = 0.0814 0.0470 0.2384 ( 4976 PWs) bands (ev): -27.3535 -27.3535 -27.3535 -27.3535 -10.1608 -10.1608 -10.1608 -10.1608 -9.0541 -9.0541 -9.0541 -9.0541 -8.9839 -8.9839 -8.9839 -8.9839 -0.8146 -0.8146 -0.8146 -0.8146 0.4787 0.4787 0.4787 0.4787 0.6281 0.6281 0.6281 0.6281 0.7984 0.7984 0.7984 0.7984 0.9132 0.9132 0.9132 0.9132 1.0124 1.0124 1.0124 1.0124 5.4621 5.4621 5.4621 5.4621 7.3575 7.3575 7.3575 7.3575 7.8788 7.8788 7.8788 7.8788 9.8841 9.8841 9.8841 9.8841 10.3249 10.3249 10.3249 10.3249 10.6528 10.6528 k = 0.0930 0.0537 0.2384 ( 4972 PWs) bands (ev): -27.3534 -27.3534 -27.3534 -27.3534 -10.1617 -10.1617 -10.1617 -10.1617 -9.0545 -9.0545 -9.0545 -9.0545 -8.9861 -8.9861 -8.9861 -8.9861 -0.7993 -0.7993 -0.7993 -0.7993 0.4798 0.4798 0.4798 0.4798 0.6281 0.6281 0.6281 0.6281 0.8000 0.8000 0.8000 0.8000 0.9126 0.9126 0.9126 0.9126 1.0146 1.0146 1.0146 1.0146 5.4802 5.4802 5.4802 5.4802 7.2133 7.2133 7.2133 7.2133 7.8405 7.8405 7.8405 7.8405 9.8616 9.8616 9.8616 9.8616 10.4065 10.4065 10.4065 10.4065 10.6852 10.6852 k = 0.1047 0.0604 0.2384 ( 4972 PWs) bands (ev): -27.3532 -27.3532 -27.3532 -27.3532 -10.1627 -10.1627 -10.1627 -10.1627 -9.0549 -9.0549 -9.0549 -9.0549 -8.9884 -8.9884 -8.9884 -8.9884 -0.7820 -0.7820 -0.7820 -0.7820 0.4810 0.4810 0.4810 0.4810 0.6281 0.6281 0.6281 0.6281 0.8019 0.8019 0.8019 0.8019 0.9120 0.9120 0.9120 0.9120 1.0170 1.0170 1.0170 1.0170 5.5002 5.5002 5.5002 5.5002 7.0663 7.0663 7.0663 7.0663 7.7990 7.7990 7.7990 7.7990 9.8193 9.8193 9.8193 9.8193 10.5051 10.5051 10.5051 10.5051 10.7209 10.7209 k = 0.1163 0.0671 0.2384 ( 4988 PWs) bands (ev): -27.3529 -27.3529 -27.3529 -27.3529 -10.1638 -10.1638 -10.1638 -10.1638 -9.0554 -9.0554 -9.0554 -9.0554 -8.9910 -8.9910 -8.9910 -8.9910 -0.7629 -0.7629 -0.7629 -0.7629 0.4824 0.4824 0.4824 0.4824 0.6282 0.6282 0.6282 0.6282 0.8039 0.8039 0.8039 0.8039 0.9113 0.9113 0.9113 0.9113 1.0198 1.0198 1.0198 1.0198 5.5217 5.5217 5.5217 5.5217 6.9181 6.9181 6.9181 6.9181 7.7548 7.7548 7.7548 7.7548 9.7668 9.7668 9.7668 9.7668 10.6073 10.6073 10.6073 10.6073 10.7597 10.7597 k = 0.1279 0.0738 0.2384 ( 4980 PWs) bands (ev): -27.3527 -27.3527 -27.3527 -27.3527 -10.1650 -10.1650 -10.1650 -10.1650 -9.0560 -9.0560 -9.0560 -9.0560 -8.9937 -8.9937 -8.9937 -8.9937 -0.7420 -0.7420 -0.7420 -0.7420 0.4839 0.4839 0.4839 0.4839 0.6283 0.6283 0.6283 0.6283 0.8062 0.8062 0.8062 0.8062 0.9106 0.9106 0.9106 0.9106 1.0229 1.0229 1.0229 1.0229 5.5443 5.5443 5.5443 5.5443 6.7700 6.7700 6.7700 6.7700 7.7084 7.7084 7.7084 7.7084 9.7090 9.7090 9.7090 9.7090 10.6994 10.6994 10.6994 10.6994 10.8013 10.8013 k = 0.1395 0.0806 0.2384 ( 4982 PWs) bands (ev): -27.3524 -27.3524 -27.3524 -27.3524 -10.1663 -10.1663 -10.1663 -10.1663 -9.0567 -9.0567 -9.0567 -9.0567 -8.9965 -8.9965 -8.9965 -8.9965 -0.7194 -0.7194 -0.7194 -0.7194 0.4856 0.4856 0.4856 0.4856 0.6286 0.6286 0.6286 0.6286 0.8086 0.8086 0.8086 0.8086 0.9098 0.9098 0.9098 0.9098 1.0264 1.0264 1.0264 1.0264 5.5672 5.5672 5.5672 5.5672 6.6235 6.6235 6.6235 6.6235 7.6602 7.6602 7.6602 7.6602 9.6479 9.6479 9.6479 9.6479 10.7502 10.7502 10.7502 10.7502 10.8445 10.8445 k = 0.1512 0.0873 0.2384 ( 4986 PWs) bands (ev): -27.3522 -27.3522 -27.3522 -27.3522 -10.1677 -10.1677 -10.1677 -10.1677 -9.0575 -9.0575 -9.0575 -9.0575 -8.9994 -8.9994 -8.9994 -8.9994 -0.6952 -0.6952 -0.6952 -0.6952 0.4874 0.4874 0.4874 0.4874 0.6289 0.6289 0.6289 0.6289 0.8113 0.8113 0.8113 0.8113 0.9091 0.9091 0.9091 0.9091 1.0303 1.0303 1.0303 1.0303 5.5889 5.5889 5.5889 5.5889 6.4803 6.4803 6.4803 6.4803 7.6106 7.6106 7.6106 7.6106 9.5847 9.5847 9.5847 9.5847 10.7375 10.7375 10.7375 10.7375 10.8907 10.8907 k = 0.1628 0.0940 0.2384 ( 4994 PWs) bands (ev): -27.3519 -27.3519 -27.3519 -27.3519 -10.1692 -10.1692 -10.1692 -10.1692 -9.0584 -9.0584 -9.0584 -9.0584 -9.0024 -9.0024 -9.0024 -9.0024 -0.6695 -0.6695 -0.6695 -0.6695 0.4893 0.4893 0.4893 0.4893 0.6293 0.6293 0.6293 0.6293 0.8141 0.8141 0.8141 0.8141 0.9084 0.9084 0.9084 0.9084 1.0346 1.0346 1.0346 1.0346 5.6071 5.6071 5.6071 5.6071 6.3433 6.3433 6.3433 6.3433 7.5600 7.5600 7.5600 7.5600 9.5202 9.5202 9.5202 9.5202 10.6969 10.6969 10.6969 10.6969 10.9400 10.9400 k = 0.1744 0.1007 0.2384 ( 4988 PWs) bands (ev): -27.3516 -27.3516 -27.3516 -27.3516 -10.1707 -10.1707 -10.1707 -10.1707 -9.0595 -9.0595 -9.0595 -9.0595 -9.0053 -9.0053 -9.0053 -9.0053 -0.6425 -0.6425 -0.6425 -0.6425 0.4914 0.4914 0.4914 0.4914 0.6299 0.6299 0.6299 0.6299 0.8171 0.8171 0.8171 0.8171 0.9078 0.9078 0.9078 0.9078 1.0393 1.0393 1.0393 1.0393 5.6168 5.6168 5.6168 5.6168 6.2176 6.2176 6.2176 6.2176 7.5089 7.5089 7.5089 7.5089 9.4547 9.4547 9.4547 9.4547 10.6479 10.6479 10.6479 10.6479 10.9915 10.9915 k = 0.1860 0.1074 0.2384 ( 5002 PWs) bands (ev): -27.3512 -27.3512 -27.3512 -27.3512 -10.1723 -10.1723 -10.1723 -10.1723 -9.0608 -9.0608 -9.0608 -9.0608 -9.0082 -9.0082 -9.0082 -9.0082 -0.6141 -0.6141 -0.6141 -0.6141 0.4936 0.4936 0.4936 0.4936 0.6306 0.6306 0.6306 0.6306 0.8202 0.8202 0.8202 0.8202 0.9071 0.9071 0.9071 0.9071 1.0446 1.0446 1.0446 1.0446 5.6092 5.6092 5.6092 5.6092 6.1124 6.1124 6.1124 6.1124 7.4575 7.4575 7.4575 7.4575 9.3887 9.3887 9.3887 9.3887 10.5958 10.5958 10.5958 10.5958 11.0452 11.0452 k = 0.1977 0.1141 0.2384 ( 4998 PWs) bands (ev): -27.3509 -27.3509 -27.3509 -27.3509 -10.1740 -10.1740 -10.1740 -10.1740 -9.0623 -9.0623 -9.0623 -9.0623 -9.0110 -9.0110 -9.0110 -9.0110 -0.5846 -0.5846 -0.5846 -0.5846 0.4960 0.4960 0.4960 0.4960 0.6316 0.6316 0.6316 0.6316 0.8235 0.8235 0.8235 0.8235 0.9065 0.9065 0.9065 0.9065 1.0505 1.0505 1.0505 1.0505 5.5713 5.5713 5.5713 5.5713 6.0407 6.0407 6.0407 6.0407 7.4061 7.4061 7.4061 7.4061 9.3224 9.3224 9.3224 9.3224 10.5423 10.5423 10.5423 10.5423 11.1009 11.1009 k = 0.2093 0.1208 0.2384 ( 5002 PWs) bands (ev): -27.3506 -27.3506 -27.3506 -27.3506 -10.1758 -10.1758 -10.1758 -10.1758 -9.0641 -9.0641 -9.0641 -9.0641 -9.0136 -9.0136 -9.0136 -9.0136 -0.5542 -0.5542 -0.5542 -0.5542 0.4985 0.4985 0.4985 0.4985 0.6327 0.6327 0.6327 0.6327 0.8269 0.8269 0.8269 0.8269 0.9060 0.9060 0.9060 0.9060 1.0570 1.0570 1.0570 1.0570 5.4964 5.4964 5.4964 5.4964 6.0094 6.0094 6.0094 6.0094 7.3550 7.3550 7.3550 7.3550 9.2562 9.2562 9.2562 9.2562 10.4884 10.4884 10.4884 10.4884 11.1585 11.1585 k = 0.2209 0.1276 0.2384 ( 4994 PWs) bands (ev): -27.3502 -27.3502 -27.3502 -27.3502 -10.1775 -10.1775 -10.1775 -10.1775 -9.0660 -9.0660 -9.0660 -9.0660 -9.0161 -9.0161 -9.0161 -9.0161 -0.5229 -0.5229 -0.5229 -0.5229 0.5011 0.5011 0.5011 0.5011 0.6342 0.6342 0.6342 0.6342 0.8305 0.8305 0.8305 0.8305 0.9056 0.9056 0.9056 0.9056 1.0643 1.0643 1.0643 1.0643 5.3924 5.3924 5.3924 5.3924 6.0106 6.0106 6.0106 6.0106 7.3044 7.3044 7.3044 7.3044 9.1902 9.1902 9.1902 9.1902 10.4341 10.4341 10.4341 10.4341 11.2179 11.2179 k = 0.2326 0.1343 0.2384 ( 4982 PWs) bands (ev): -27.3499 -27.3499 -27.3499 -27.3499 -10.1794 -10.1794 -10.1794 -10.1794 -9.0682 -9.0682 -9.0682 -9.0682 -9.0184 -9.0184 -9.0184 -9.0184 -0.4910 -0.4910 -0.4910 -0.4910 0.5038 0.5038 0.5038 0.5038 0.6359 0.6359 0.6359 0.6359 0.8341 0.8341 0.8341 0.8341 0.9052 0.9052 0.9052 0.9052 1.0724 1.0724 1.0724 1.0724 5.2720 5.2720 5.2720 5.2720 6.0318 6.0318 6.0318 6.0318 7.2546 7.2546 7.2546 7.2546 9.1248 9.1248 9.1248 9.1248 10.3797 10.3797 10.3797 10.3797 11.2790 11.2790 k = 0.2442 0.1410 0.2384 ( 4974 PWs) bands (ev): -27.3495 -27.3495 -27.3495 -27.3495 -10.1812 -10.1812 -10.1812 -10.1812 -9.0706 -9.0706 -9.0706 -9.0706 -9.0204 -9.0204 -9.0204 -9.0204 -0.4587 -0.4587 -0.4587 -0.4587 0.5067 0.5067 0.5067 0.5067 0.6379 0.6379 0.6379 0.6379 0.8379 0.8379 0.8379 0.8379 0.9050 0.9050 0.9050 0.9050 1.0814 1.0814 1.0814 1.0814 5.1435 5.1435 5.1435 5.1435 6.0645 6.0645 6.0645 6.0645 7.2057 7.2057 7.2057 7.2057 9.0601 9.0601 9.0601 9.0601 10.3251 10.3251 10.3251 10.3251 11.3418 11.3418 k = 0.2558 0.1477 0.2384 ( 4978 PWs) bands (ev): -27.3492 -27.3492 -27.3492 -27.3492 -10.1831 -10.1831 -10.1831 -10.1831 -9.0732 -9.0732 -9.0732 -9.0732 -9.0222 -9.0222 -9.0222 -9.0222 -0.4261 -0.4261 -0.4261 -0.4261 0.5095 0.5095 0.5095 0.5095 0.6402 0.6402 0.6402 0.6402 0.8416 0.8416 0.8416 0.8416 0.9048 0.9048 0.9048 0.9048 1.0916 1.0916 1.0916 1.0916 5.0116 5.0116 5.0116 5.0116 6.1043 6.1043 6.1043 6.1043 7.1580 7.1580 7.1580 7.1580 8.9964 8.9964 8.9964 8.9964 10.2701 10.2701 10.2701 10.2701 11.4059 11.4059 k = 0.2674 0.1544 0.2384 ( 4970 PWs) bands (ev): -27.3488 -27.3488 -27.3488 -27.3488 -10.1850 -10.1850 -10.1850 -10.1850 -9.0760 -9.0760 -9.0760 -9.0760 -9.0238 -9.0238 -9.0238 -9.0238 -0.3935 -0.3935 -0.3935 -0.3935 0.5124 0.5124 0.5124 0.5124 0.6429 0.6429 0.6429 0.6429 0.8454 0.8454 0.8454 0.8454 0.9048 0.9048 0.9048 0.9048 1.1030 1.1030 1.1030 1.1030 4.8787 4.8787 4.8787 4.8787 6.1487 6.1487 6.1487 6.1487 7.1116 7.1116 7.1116 7.1116 8.9338 8.9338 8.9338 8.9338 10.2149 10.2149 10.2149 10.2149 11.4713 11.4713 k = 0.2791 0.1611 0.2384 ( 4974 PWs) bands (ev): -27.3485 -27.3485 -27.3485 -27.3485 -10.1869 -10.1869 -10.1869 -10.1869 -9.0790 -9.0790 -9.0790 -9.0790 -9.0251 -9.0251 -9.0251 -9.0251 -0.3611 -0.3611 -0.3611 -0.3611 0.5153 0.5153 0.5153 0.5153 0.6460 0.6460 0.6460 0.6460 0.8491 0.8491 0.8491 0.8491 0.9049 0.9049 0.9049 0.9049 1.1158 1.1158 1.1158 1.1158 4.7461 4.7461 4.7461 4.7461 6.1963 6.1963 6.1963 6.1963 7.0667 7.0667 7.0667 7.0667 8.8726 8.8726 8.8726 8.8726 10.1592 10.1592 10.1592 10.1592 11.5378 11.5378 k = 0.2907 0.1678 0.2384 ( 4976 PWs) bands (ev): -27.3481 -27.3481 -27.3481 -27.3481 -10.1887 -10.1887 -10.1887 -10.1887 -9.0821 -9.0821 -9.0821 -9.0821 -9.0263 -9.0263 -9.0263 -9.0263 -0.3292 -0.3292 -0.3292 -0.3292 0.5182 0.5182 0.5182 0.5182 0.6494 0.6494 0.6494 0.6494 0.8528 0.8528 0.8528 0.8528 0.9051 0.9051 0.9051 0.9051 1.1302 1.1302 1.1302 1.1302 4.6146 4.6146 4.6146 4.6146 6.2464 6.2464 6.2464 6.2464 7.0233 7.0233 7.0233 7.0233 8.8130 8.8130 8.8130 8.8130 10.1033 10.1033 10.1033 10.1033 11.6051 11.6051 k = 0.3023 0.1745 0.2384 ( 4972 PWs) bands (ev): -27.3478 -27.3478 -27.3478 -27.3478 -10.1906 -10.1906 -10.1906 -10.1906 -9.0852 -9.0852 -9.0852 -9.0852 -9.0273 -9.0273 -9.0273 -9.0273 -0.2980 -0.2980 -0.2980 -0.2980 0.5211 0.5211 0.5211 0.5211 0.6532 0.6532 0.6532 0.6532 0.8564 0.8564 0.8564 0.8564 0.9055 0.9055 0.9055 0.9055 1.1463 1.1463 1.1463 1.1463 4.4850 4.4850 4.4850 4.4850 6.2982 6.2982 6.2982 6.2982 6.9817 6.9817 6.9817 6.9817 8.7549 8.7549 8.7549 8.7549 10.0471 10.0471 10.0471 10.0471 11.6731 11.6731 k = 0.3140 0.1813 0.2384 ( 4964 PWs) bands (ev): -27.3475 -27.3475 -27.3475 -27.3475 -10.1924 -10.1924 -10.1924 -10.1924 -9.0884 -9.0884 -9.0884 -9.0884 -9.0281 -9.0281 -9.0281 -9.0281 -0.2678 -0.2678 -0.2678 -0.2678 0.5238 0.5238 0.5238 0.5238 0.6574 0.6574 0.6574 0.6574 0.8599 0.8599 0.8599 0.8599 0.9060 0.9060 0.9060 0.9060 1.1643 1.1643 1.1643 1.1643 4.3576 4.3576 4.3576 4.3576 6.3512 6.3512 6.3512 6.3512 6.9419 6.9419 6.9419 6.9419 8.6987 8.6987 8.6987 8.6987 9.9908 9.9908 9.9908 9.9908 11.7415 11.7415 k = 0.3256 0.1880 0.2384 ( 4972 PWs) bands (ev): -27.3472 -27.3472 -27.3472 -27.3472 -10.1941 -10.1941 -10.1941 -10.1941 -9.0916 -9.0916 -9.0916 -9.0916 -9.0288 -9.0288 -9.0288 -9.0288 -0.2387 -0.2387 -0.2387 -0.2387 0.5264 0.5264 0.5264 0.5264 0.6618 0.6618 0.6618 0.6618 0.8632 0.8632 0.8632 0.8632 0.9066 0.9066 0.9066 0.9066 1.1844 1.1844 1.1844 1.1844 4.2328 4.2328 4.2328 4.2328 6.4051 6.4051 6.4051 6.4051 6.9041 6.9041 6.9041 6.9041 8.6443 8.6443 8.6443 8.6443 9.9346 9.9346 9.9346 9.9346 11.8100 11.8100 k = 0.3372 0.1947 0.2384 ( 4976 PWs) bands (ev): -27.3469 -27.3469 -27.3469 -27.3469 -10.1959 -10.1959 -10.1959 -10.1959 -9.0947 -9.0947 -9.0947 -9.0947 -9.0294 -9.0294 -9.0294 -9.0294 -0.2110 -0.2110 -0.2110 -0.2110 0.5289 0.5289 0.5289 0.5289 0.6665 0.6665 0.6665 0.6665 0.8662 0.8662 0.8662 0.8662 0.9074 0.9074 0.9074 0.9074 1.2067 1.2067 1.2067 1.2067 4.1111 4.1111 4.1111 4.1111 6.4595 6.4595 6.4595 6.4595 6.8684 6.8684 6.8684 6.8684 8.5920 8.5920 8.5920 8.5920 9.8789 9.8789 9.8789 9.8789 11.8783 11.8783 k = 0.3488 0.2014 0.2384 ( 4980 PWs) bands (ev): -27.3466 -27.3466 -27.3466 -27.3466 -10.1975 -10.1975 -10.1975 -10.1975 -9.0977 -9.0977 -9.0977 -9.0977 -9.0299 -9.0299 -9.0299 -9.0299 -0.1849 -0.1849 -0.1849 -0.1849 0.5312 0.5312 0.5312 0.5312 0.6714 0.6714 0.6714 0.6714 0.8691 0.8691 0.8691 0.8691 0.9083 0.9083 0.9083 0.9083 1.2312 1.2312 1.2312 1.2312 3.9928 3.9928 3.9928 3.9928 6.5139 6.5139 6.5139 6.5139 6.8348 6.8348 6.8348 6.8348 8.5417 8.5417 8.5417 8.5417 9.8240 9.8240 9.8240 9.8240 11.9460 11.9460 k = 0.3605 0.2081 0.2384 ( 4974 PWs) bands (ev): -27.3463 -27.3463 -27.3463 -27.3463 -10.1991 -10.1991 -10.1991 -10.1991 -9.1006 -9.1006 -9.1006 -9.1006 -9.0302 -9.0302 -9.0302 -9.0302 -0.1605 -0.1605 -0.1605 -0.1605 0.5333 0.5333 0.5333 0.5333 0.6763 0.6763 0.6763 0.6763 0.8717 0.8717 0.8717 0.8717 0.9093 0.9093 0.9093 0.9093 1.2580 1.2580 1.2580 1.2580 3.8782 3.8782 3.8782 3.8782 6.5679 6.5679 6.5679 6.5679 6.8034 6.8034 6.8034 6.8034 8.4935 8.4935 8.4935 8.4935 9.7703 9.7703 9.7703 9.7703 12.0127 12.0127 k = 0.3721 0.2148 0.2384 ( 4982 PWs) bands (ev): -27.3460 -27.3460 -27.3460 -27.3460 -10.2006 -10.2006 -10.2006 -10.2006 -9.1034 -9.1034 -9.1034 -9.1034 -9.0306 -9.0306 -9.0306 -9.0306 -0.1380 -0.1380 -0.1380 -0.1380 0.5352 0.5352 0.5352 0.5352 0.6812 0.6812 0.6812 0.6812 0.8741 0.8741 0.8741 0.8741 0.9104 0.9104 0.9104 0.9104 1.2868 1.2868 1.2868 1.2868 3.7679 3.7679 3.7679 3.7679 6.6210 6.6210 6.6210 6.6210 6.7746 6.7746 6.7746 6.7746 8.4477 8.4477 8.4477 8.4477 9.7183 9.7183 9.7183 9.7183 12.0780 12.0780 k = 0.3837 0.2215 0.2384 ( 4984 PWs) bands (ev): -27.3458 -27.3458 -27.3458 -27.3458 -10.2020 -10.2020 -10.2020 -10.2020 -9.1060 -9.1060 -9.1060 -9.1060 -9.0308 -9.0308 -9.0308 -9.0308 -0.1174 -0.1174 -0.1174 -0.1174 0.5369 0.5369 0.5369 0.5369 0.6860 0.6860 0.6860 0.6860 0.8762 0.8762 0.8762 0.8762 0.9116 0.9116 0.9116 0.9116 1.3176 1.3176 1.3176 1.3176 3.6623 3.6623 3.6623 3.6623 6.6722 6.6722 6.6722 6.6722 6.7488 6.7488 6.7488 6.7488 8.4042 8.4042 8.4042 8.4042 9.6684 9.6684 9.6684 9.6684 12.1414 12.1414 k = 0.3953 0.2283 0.2384 ( 4984 PWs) bands (ev): -27.3456 -27.3456 -27.3456 -27.3456 -10.2033 -10.2033 -10.2033 -10.2033 -9.1085 -9.1085 -9.1085 -9.1085 -9.0310 -9.0310 -9.0310 -9.0310 -0.0989 -0.0989 -0.0989 -0.0989 0.5384 0.5384 0.5384 0.5384 0.6905 0.6905 0.6905 0.6905 0.8781 0.8781 0.8781 0.8781 0.9127 0.9127 0.9127 0.9127 1.3499 1.3499 1.3499 1.3499 3.5619 3.5619 3.5619 3.5619 6.7107 6.7107 6.7107 6.7107 6.7362 6.7362 6.7362 6.7362 8.3633 8.3633 8.3633 8.3633 9.6211 9.6211 9.6211 9.6211 12.2022 12.2022 k = 0.4070 0.2350 0.2384 ( 4976 PWs) bands (ev): -27.3453 -27.3453 -27.3453 -27.3453 -10.2045 -10.2045 -10.2045 -10.2045 -9.1107 -9.1107 -9.1107 -9.1107 -9.0312 -9.0312 -9.0312 -9.0312 -0.0823 -0.0823 -0.0823 -0.0823 0.5397 0.5397 0.5397 0.5397 0.6948 0.6948 0.6948 0.6948 0.8797 0.8797 0.8797 0.8797 0.9139 0.9139 0.9139 0.9139 1.3832 1.3832 1.3832 1.3832 3.4676 3.4676 3.4676 3.4676 6.6979 6.6979 6.6979 6.6979 6.7752 6.7752 6.7752 6.7752 8.3251 8.3251 8.3251 8.3251 9.5769 9.5769 9.5769 9.5769 12.2600 12.2600 k = 0.4186 0.2417 0.2384 ( 4974 PWs) bands (ev): -27.3452 -27.3452 -27.3452 -27.3452 -10.2055 -10.2055 -10.2055 -10.2055 -9.1127 -9.1127 -9.1127 -9.1127 -9.0313 -9.0313 -9.0313 -9.0313 -0.0678 -0.0678 -0.0678 -0.0678 0.5408 0.5408 0.5408 0.5408 0.6987 0.6987 0.6987 0.6987 0.8811 0.8811 0.8811 0.8811 0.9150 0.9150 0.9150 0.9150 1.4168 1.4168 1.4168 1.4168 3.3800 3.3800 3.3800 3.3800 6.6793 6.6793 6.6793 6.6793 6.8195 6.8195 6.8195 6.8195 8.2898 8.2898 8.2898 8.2898 9.5364 9.5364 9.5364 9.5364 12.3140 12.3140 k = 0.4302 0.2484 0.2384 ( 4978 PWs) bands (ev): -27.3450 -27.3450 -27.3450 -27.3450 -10.2064 -10.2064 -10.2064 -10.2064 -9.1144 -9.1144 -9.1144 -9.1144 -9.0314 -9.0314 -9.0314 -9.0314 -0.0554 -0.0554 -0.0554 -0.0554 0.5418 0.5418 0.5418 0.5418 0.7022 0.7022 0.7022 0.7022 0.8823 0.8823 0.8823 0.8823 0.9160 0.9160 0.9160 0.9160 1.4498 1.4498 1.4498 1.4498 3.3002 3.3002 3.3002 3.3002 6.6626 6.6626 6.6626 6.6626 6.8609 6.8609 6.8609 6.8609 8.2579 8.2579 8.2579 8.2579 9.5001 9.5001 9.5001 9.5001 12.3634 12.3634 k = 0.4419 0.2551 0.2384 ( 4982 PWs) bands (ev): -27.3449 -27.3449 -27.3449 -27.3449 -10.2072 -10.2072 -10.2072 -10.2072 -9.1159 -9.1159 -9.1159 -9.1159 -9.0315 -9.0315 -9.0315 -9.0315 -0.0450 -0.0450 -0.0450 -0.0450 0.5426 0.5426 0.5426 0.5426 0.7051 0.7051 0.7051 0.7051 0.8833 0.8833 0.8833 0.8833 0.9169 0.9169 0.9169 0.9169 1.4812 1.4812 1.4812 1.4812 3.2292 3.2292 3.2292 3.2292 6.6483 6.6483 6.6483 6.6483 6.8979 6.8979 6.8979 6.8979 8.2296 8.2296 8.2296 8.2296 9.4684 9.4684 9.4684 9.4684 12.4074 12.4074 k = 0.4535 0.2618 0.2384 ( 4988 PWs) bands (ev): -27.3448 -27.3448 -27.3448 -27.3448 -10.2079 -10.2079 -10.2079 -10.2079 -9.1172 -9.1172 -9.1172 -9.1172 -9.0316 -9.0316 -9.0316 -9.0316 -0.0365 -0.0365 -0.0365 -0.0365 0.5432 0.5432 0.5432 0.5432 0.7076 0.7076 0.7076 0.7076 0.8841 0.8841 0.8841 0.8841 0.9176 0.9176 0.9176 0.9176 1.5096 1.5096 1.5096 1.5096 3.1684 3.1684 3.1684 3.1684 6.6365 6.6365 6.6365 6.6365 6.9298 6.9298 6.9298 6.9298 8.2055 8.2055 8.2055 8.2055 9.4418 9.4418 9.4418 9.4418 12.4451 12.4451 k = 0.4651 0.2685 0.2384 ( 4980 PWs) bands (ev): -27.3447 -27.3447 -27.3447 -27.3447 -10.2084 -10.2084 -10.2084 -10.2084 -9.1182 -9.1182 -9.1182 -9.1182 -9.0316 -9.0316 -9.0316 -9.0316 -0.0299 -0.0299 -0.0299 -0.0299 0.5437 0.5437 0.5437 0.5437 0.7096 0.7096 0.7096 0.7096 0.8847 0.8847 0.8847 0.8847 0.9182 0.9182 0.9182 0.9182 1.5337 1.5337 1.5337 1.5337 3.1191 3.1191 3.1191 3.1191 6.6273 6.6273 6.6273 6.6273 6.9557 6.9557 6.9557 6.9557 8.1860 8.1860 8.1860 8.1860 9.4207 9.4207 9.4207 9.4207 12.4756 12.4756 k = 0.4767 0.2752 0.2384 ( 4976 PWs) bands (ev): -27.3446 -27.3446 -27.3446 -27.3446 -10.2088 -10.2088 -10.2088 -10.2088 -9.1189 -9.1189 -9.1189 -9.1189 -9.0316 -9.0316 -9.0316 -9.0316 -0.0253 -0.0253 -0.0253 -0.0253 0.5440 0.5440 0.5440 0.5440 0.7110 0.7110 0.7110 0.7110 0.8852 0.8852 0.8852 0.8852 0.9187 0.9187 0.9187 0.9187 1.5522 1.5522 1.5522 1.5522 3.0827 3.0827 3.0827 3.0827 6.6206 6.6206 6.6206 6.6206 6.9749 6.9749 6.9749 6.9749 8.1716 8.1716 8.1716 8.1716 9.4054 9.4054 9.4054 9.4054 12.4981 12.4981 k = 0.4884 0.2820 0.2384 ( 4982 PWs) bands (ev): -27.3446 -27.3446 -27.3446 -27.3446 -10.2090 -10.2090 -10.2090 -10.2090 -9.1193 -9.1193 -9.1193 -9.1193 -9.0317 -9.0317 -9.0317 -9.0317 -0.0225 -0.0225 -0.0225 -0.0225 0.5442 0.5442 0.5442 0.5442 0.7118 0.7118 0.7118 0.7118 0.8854 0.8854 0.8854 0.8854 0.9189 0.9189 0.9189 0.9189 1.5638 1.5638 1.5638 1.5638 3.0603 3.0603 3.0603 3.0603 6.6167 6.6167 6.6167 6.6167 6.9867 6.9867 6.9867 6.9867 8.1628 8.1628 8.1628 8.1628 9.3961 9.3961 9.3961 9.3961 12.5119 12.5119 k = 0.5000 0.2887 0.2384 ( 4988 PWs) bands (ev): -27.3445 -27.3445 -27.3445 -27.3445 -10.2091 -10.2091 -10.2091 -10.2091 -9.1194 -9.1194 -9.1194 -9.1194 -9.0317 -9.0317 -9.0317 -9.0317 -0.0216 -0.0216 -0.0216 -0.0216 0.5443 0.5443 0.5443 0.5443 0.7121 0.7121 0.7121 0.7121 0.8855 0.8855 0.8855 0.8855 0.9190 0.9190 0.9190 0.9190 1.5678 1.5678 1.5678 1.5678 3.0527 3.0527 3.0527 3.0527 6.6154 6.6154 6.6154 6.6154 6.9907 6.9907 6.9907 6.9907 8.1599 8.1599 8.1599 8.1599 9.3930 9.3930 9.3930 9.3930 12.5166 12.5166 k = 0.5000 0.2887 0.2384 ( 4988 PWs) bands (ev): -27.3445 -27.3445 -27.3445 -27.3445 -10.2091 -10.2091 -10.2091 -10.2091 -9.1194 -9.1194 -9.1194 -9.1194 -9.0317 -9.0317 -9.0317 -9.0317 -0.0216 -0.0216 -0.0216 -0.0216 0.5443 0.5443 0.5443 0.5443 0.7121 0.7121 0.7121 0.7121 0.8855 0.8855 0.8855 0.8855 0.9190 0.9190 0.9190 0.9190 1.5678 1.5678 1.5678 1.5678 3.0527 3.0527 3.0527 3.0527 6.6154 6.6154 6.6154 6.6154 6.9907 6.9907 6.9907 6.9907 8.1599 8.1599 8.1599 8.1599 9.3930 9.3930 9.3930 9.3930 12.5166 12.5166 k = 0.4933 0.3002 0.2384 ( 4988 PWs) bands (ev): -27.3445 -27.3445 -27.3445 -27.3445 -10.2091 -10.2091 -10.2091 -10.2091 -9.1194 -9.1194 -9.1194 -9.1194 -9.0318 -9.0318 -9.0318 -9.0318 -0.0252 -0.0252 -0.0172 -0.0172 0.5435 0.5435 0.5450 0.5450 0.7031 0.7031 0.7209 0.7209 0.8850 0.8850 0.8859 0.8859 0.9179 0.9179 0.9200 0.9200 1.5637 1.5637 1.5733 1.5733 3.0529 3.0529 3.0535 3.0535 6.6041 6.6041 6.6071 6.6071 6.9907 6.9907 6.9917 6.9917 8.1612 8.1612 8.1619 8.1619 9.4042 9.4042 9.4047 9.4047 12.5095 12.5099 k = 0.4867 0.3118 0.2384 ( 4980 PWs) bands (ev): -27.3445 -27.3445 -27.3445 -27.3445 -10.2092 -10.2092 -10.2092 -10.2092 -9.1193 -9.1193 -9.1193 -9.1193 -9.0321 -9.0321 -9.0321 -9.0321 -0.0280 -0.0280 -0.0121 -0.0121 0.5428 0.5428 0.5458 0.5458 0.6941 0.6941 0.7296 0.7296 0.8846 0.8846 0.8864 0.8864 0.9166 0.9166 0.9209 0.9209 1.5611 1.5611 1.5802 1.5802 3.0540 3.0540 3.0553 3.0553 6.5740 6.5740 6.5798 6.5798 6.9917 6.9917 6.9938 6.9938 8.1657 8.1657 8.1671 8.1671 9.4378 9.4378 9.4387 9.4387 12.4894 12.4901 k = 0.4800 0.3233 0.2384 ( 4976 PWs) bands (ev): -27.3445 -27.3445 -27.3445 -27.3445 -10.2092 -10.2092 -10.2092 -10.2092 -9.1191 -9.1191 -9.1190 -9.1190 -9.0327 -9.0327 -9.0326 -9.0326 -0.0300 -0.0300 -0.0061 -0.0061 0.5420 0.5420 0.5465 0.5465 0.6850 0.6850 0.7381 0.7381 0.8841 0.8841 0.8868 0.8868 0.9153 0.9153 0.9216 0.9216 1.5599 1.5599 1.5884 1.5884 3.0560 3.0560 3.0580 3.0580 6.5269 6.5269 6.5351 6.5351 6.9938 6.9938 6.9969 6.9969 8.1725 8.1725 8.1750 8.1750 9.4927 9.4927 9.4941 9.4941 12.4591 12.4599 k = 0.4733 0.3349 0.2384 ( 4980 PWs) bands (ev): -27.3445 -27.3445 -27.3445 -27.3445 -10.2093 -10.2093 -10.2093 -10.2093 -9.1188 -9.1188 -9.1187 -9.1187 -9.0334 -9.0334 -9.0334 -9.0334 -0.0313 -0.0313 0.0006 0.0006 0.5412 0.5412 0.5471 0.5471 0.6758 0.6758 0.7464 0.7464 0.8836 0.8836 0.8871 0.8871 0.9138 0.9138 0.9221 0.9221 1.5603 1.5603 1.5979 1.5979 3.0589 3.0589 3.0615 3.0615 6.4651 6.4651 6.4756 6.4756 6.9969 6.9969 7.0010 7.0010 8.1809 8.1809 8.1849 8.1849 9.5671 9.5671 9.5690 9.5690 12.4210 12.4222 k = 0.4667 0.3464 0.2384 ( 4980 PWs) bands (ev): -27.3444 -27.3444 -27.3444 -27.3444 -10.2094 -10.2094 -10.2094 -10.2094 -9.1184 -9.1184 -9.1184 -9.1184 -9.0344 -9.0344 -9.0344 -9.0344 -0.0319 -0.0319 0.0081 0.0081 0.5404 0.5404 0.5477 0.5477 0.6666 0.6666 0.7545 0.7545 0.8831 0.8831 0.8875 0.8875 0.9123 0.9123 0.9225 0.9225 1.5622 1.5622 1.6086 1.6086 3.0626 3.0626 3.0658 3.0658 6.3915 6.3915 6.4038 6.4038 7.0010 7.0010 7.0061 7.0061 8.1903 8.1903 8.1958 8.1958 9.6591 9.6591 9.6613 9.6613 12.3803 12.3805 k = 0.4600 0.3580 0.2384 ( 4972 PWs) bands (ev): -27.3444 -27.3444 -27.3444 -27.3444 -10.2096 -10.2096 -10.2096 -10.2096 -9.1180 -9.1180 -9.1179 -9.1179 -9.0355 -9.0355 -9.0355 -9.0355 -0.0318 -0.0318 0.0162 0.0162 0.5396 0.5396 0.5483 0.5483 0.6575 0.6575 0.7624 0.7624 0.8826 0.8826 0.8878 0.8878 0.9108 0.9108 0.9227 0.9227 1.5656 1.5656 1.6206 1.6206 3.0670 3.0670 3.0708 3.0708 6.3088 6.3088 6.3226 6.3226 7.0061 7.0061 7.0123 7.0123 8.2000 8.2000 8.2074 8.2074 9.7663 9.7663 9.7688 9.7688 12.3356 12.3362 k = 0.4533 0.3695 0.2384 ( 4962 PWs) bands (ev): -27.3443 -27.3443 -27.3443 -27.3443 -10.2097 -10.2097 -10.2097 -10.2097 -9.1174 -9.1174 -9.1174 -9.1174 -9.0368 -9.0368 -9.0368 -9.0368 -0.0310 -0.0310 0.0251 0.0251 0.5388 0.5388 0.5488 0.5488 0.6485 0.6485 0.7700 0.7700 0.8821 0.8821 0.8881 0.8881 0.9093 0.9093 0.9227 0.9227 1.5705 1.5705 1.6336 1.6336 3.0719 3.0719 3.0763 3.0763 6.2194 6.2194 6.2345 6.2345 7.0121 7.0121 7.0193 7.0193 8.2095 8.2095 8.2190 8.2190 9.8866 9.8866 9.8893 9.8893 12.2907 12.2915 k = 0.4467 0.3811 0.2384 ( 4962 PWs) bands (ev): -27.3443 -27.3443 -27.3443 -27.3443 -10.2099 -10.2099 -10.2099 -10.2099 -9.1169 -9.1169 -9.1168 -9.1168 -9.0383 -9.0383 -9.0383 -9.0383 -0.0297 -0.0297 0.0345 0.0345 0.5381 0.5381 0.5493 0.5493 0.6395 0.6395 0.7775 0.7775 0.8816 0.8816 0.8884 0.8884 0.9077 0.9077 0.9225 0.9225 1.5770 1.5770 1.6477 1.6477 3.0771 3.0771 3.0822 3.0822 6.1256 6.1256 6.1418 6.1418 7.0190 7.0190 7.0273 7.0273 8.2188 8.2188 8.2304 8.2304 10.0178 10.0178 10.0205 10.0205 12.2476 12.2481 k = 0.4400 0.3926 0.2384 ( 4966 PWs) bands (ev): -27.3442 -27.3442 -27.3442 -27.3442 -10.2101 -10.2101 -10.2101 -10.2101 -9.1162 -9.1162 -9.1161 -9.1161 -9.0399 -9.0399 -9.0399 -9.0399 -0.0280 -0.0280 0.0443 0.0443 0.5373 0.5373 0.5497 0.5497 0.6307 0.6307 0.7846 0.7846 0.8811 0.8811 0.8886 0.8886 0.9062 0.9062 0.9221 0.9221 1.5849 1.5849 1.6628 1.6628 3.0826 3.0826 3.0882 3.0882 6.0293 6.0293 6.0465 6.0465 7.0268 7.0268 7.0361 7.0361 8.2275 8.2275 8.2414 8.2414 10.1581 10.1581 10.1607 10.1607 12.2076 12.2084 k = 0.4333 0.4041 0.2384 ( 4970 PWs) bands (ev): -27.3442 -27.3442 -27.3442 -27.3442 -10.2104 -10.2104 -10.2103 -10.2103 -9.1155 -9.1155 -9.1155 -9.1155 -9.0416 -9.0416 -9.0416 -9.0416 -0.0257 -0.0257 0.0547 0.0547 0.5366 0.5366 0.5501 0.5501 0.6221 0.6221 0.7916 0.7916 0.8805 0.8805 0.8887 0.8887 0.9048 0.9048 0.9216 0.9216 1.5943 1.5943 1.6788 1.6788 3.0881 3.0881 3.0943 3.0943 5.9322 5.9322 5.9501 5.9501 7.0353 7.0353 7.0456 7.0456 8.2356 8.2356 8.2517 8.2517 10.3057 10.3057 10.3081 10.3081 12.1712 12.1725 k = 0.4267 0.4157 0.2384 ( 4970 PWs) bands (ev): -27.3441 -27.3441 -27.3441 -27.3441 -10.2106 -10.2106 -10.2106 -10.2106 -9.1148 -9.1148 -9.1147 -9.1147 -9.0434 -9.0434 -9.0434 -9.0434 -0.0231 -0.0231 0.0653 0.0653 0.5359 0.5359 0.5504 0.5504 0.6138 0.6138 0.7982 0.7982 0.8800 0.8800 0.8888 0.8888 0.9034 0.9034 0.9209 0.9209 1.6051 1.6051 1.6957 1.6957 3.0933 3.0933 3.1001 3.1001 5.8357 5.8357 5.8542 5.8542 7.0445 7.0445 7.0559 7.0559 8.2429 8.2429 8.2612 8.2612 10.4591 10.4591 10.4610 10.4610 12.1390 12.1393 k = 0.4200 0.4272 0.2384 ( 4966 PWs) bands (ev): -27.3440 -27.3440 -27.3440 -27.3440 -10.2108 -10.2108 -10.2108 -10.2108 -9.1141 -9.1141 -9.1140 -9.1140 -9.0453 -9.0453 -9.0453 -9.0453 -0.0202 -0.0202 0.0763 0.0763 0.5352 0.5352 0.5506 0.5506 0.6059 0.6059 0.8046 0.8046 0.8795 0.8795 0.8889 0.8889 0.9020 0.9020 0.9201 0.9201 1.6171 1.6171 1.7134 1.7134 3.0981 3.0981 3.1054 3.1054 5.7411 5.7411 5.7601 5.7601 7.0543 7.0543 7.0667 7.0667 8.2493 8.2493 8.2699 8.2699 10.6167 10.6167 10.6180 10.6180 12.1118 12.1119 k = 0.4133 0.4388 0.2384 ( 4966 PWs) bands (ev): -27.3439 -27.3439 -27.3439 -27.3439 -10.2111 -10.2111 -10.2111 -10.2111 -9.1133 -9.1133 -9.1132 -9.1132 -9.0472 -9.0472 -9.0472 -9.0472 -0.0170 -0.0170 0.0873 0.0873 0.5345 0.5345 0.5507 0.5507 0.5983 0.5983 0.8108 0.8108 0.8789 0.8789 0.8888 0.8888 0.9008 0.9008 0.9192 0.9192 1.6304 1.6304 1.7317 1.7317 3.1020 3.1020 3.1099 3.1099 5.6495 5.6495 5.6689 5.6689 7.0646 7.0646 7.0781 7.0781 8.2547 8.2547 8.2775 8.2775 10.7771 10.7771 10.7776 10.7776 12.0908 12.0922 k = 0.4067 0.4503 0.2384 ( 4954 PWs) bands (ev): -27.3439 -27.3439 -27.3439 -27.3439 -10.2114 -10.2114 -10.2113 -10.2113 -9.1125 -9.1125 -9.1124 -9.1124 -9.0491 -9.0491 -9.0491 -9.0491 -0.0136 -0.0136 0.0983 0.0983 0.5340 0.5340 0.5507 0.5507 0.5911 0.5911 0.8167 0.8167 0.8784 0.8784 0.8887 0.8887 0.8998 0.8998 0.9183 0.9183 1.6446 1.6446 1.7506 1.7506 3.1049 3.1049 3.1133 3.1133 5.5619 5.5619 5.5817 5.5817 7.0753 7.0753 7.0899 7.0899 8.2591 8.2591 8.2840 8.2840 10.9382 10.9382 10.9388 10.9388 12.0762 12.0762 k = 0.4000 0.4619 0.2384 ( 4950 PWs) bands (ev): -27.3438 -27.3438 -27.3438 -27.3438 -10.2116 -10.2116 -10.2116 -10.2116 -9.1118 -9.1118 -9.1116 -9.1116 -9.0510 -9.0510 -9.0509 -9.0509 -0.0102 -0.0102 0.1091 0.1091 0.5334 0.5334 0.5506 0.5506 0.5845 0.5845 0.8223 0.8223 0.8779 0.8779 0.8886 0.8886 0.8988 0.8988 0.9172 0.9172 1.6598 1.6598 1.7698 1.7698 3.1066 3.1066 3.1155 3.1155 5.4793 5.4793 5.4994 5.4994 7.0863 7.0863 7.1019 7.1019 8.2623 8.2623 8.2892 8.2892 11.0982 11.0982 11.1000 11.1000 12.0686 12.0686 k = 0.3933 0.4734 0.2384 ( 4954 PWs) bands (ev): -27.3437 -27.3437 -27.3437 -27.3437 -10.2119 -10.2119 -10.2119 -10.2119 -9.1110 -9.1110 -9.1109 -9.1109 -9.0528 -9.0528 -9.0527 -9.0527 -0.0068 -0.0068 0.1196 0.1196 0.5329 0.5329 0.5503 0.5503 0.5784 0.5784 0.8276 0.8276 0.8773 0.8773 0.8883 0.8883 0.8980 0.8980 0.9161 0.9161 1.6756 1.6756 1.7893 1.7893 3.1067 3.1067 3.1162 3.1162 5.4026 5.4026 5.4228 5.4228 7.0974 7.0974 7.1140 7.1140 8.2643 8.2643 8.2932 8.2932 11.2554 11.2554 11.2588 11.2588 12.0686 12.0686 k = 0.3867 0.4850 0.2384 ( 4946 PWs) bands (ev): -27.3437 -27.3437 -27.3437 -27.3437 -10.2122 -10.2122 -10.2121 -10.2121 -9.1104 -9.1104 -9.1102 -9.1102 -9.0545 -9.0545 -9.0545 -9.0545 -0.0035 -0.0035 0.1296 0.1296 0.5325 0.5325 0.5499 0.5499 0.5731 0.5731 0.8325 0.8325 0.8768 0.8768 0.8880 0.8880 0.8974 0.8974 0.9150 0.9150 1.6918 1.6918 1.8088 1.8088 3.1051 3.1051 3.1152 3.1152 5.3325 5.3325 5.3529 5.3529 7.1084 7.1084 7.1260 7.1260 8.2651 8.2651 8.2959 8.2959 11.4075 11.4075 11.4128 11.4128 12.0765 12.0765 k = 0.3800 0.4965 0.2384 ( 4950 PWs) bands (ev): -27.3436 -27.3436 -27.3436 -27.3436 -10.2124 -10.2124 -10.2124 -10.2124 -9.1097 -9.1097 -9.1096 -9.1096 -9.0561 -9.0561 -9.0561 -9.0561 -0.0003 -0.0003 0.1390 0.1390 0.5321 0.5321 0.5493 0.5493 0.5684 0.5684 0.8371 0.8371 0.8763 0.8763 0.8877 0.8877 0.8969 0.8969 0.9138 0.9138 1.7081 1.7081 1.8279 1.8279 3.1018 3.1018 3.1125 3.1125 5.2696 5.2696 5.2902 5.2902 7.1192 7.1192 7.1377 7.1377 8.2648 8.2648 8.2973 8.2973 11.5514 11.5514 11.5588 11.5588 12.0924 12.0924 k = 0.3733 0.5081 0.2384 ( 4940 PWs) bands (ev): -27.3435 -27.3435 -27.3435 -27.3435 -10.2127 -10.2127 -10.2126 -10.2126 -9.1092 -9.1092 -9.1090 -9.1090 -9.0576 -9.0576 -9.0575 -9.0575 0.0027 0.0027 0.1477 0.1477 0.5317 0.5317 0.5485 0.5485 0.5646 0.5646 0.8412 0.8412 0.8758 0.8758 0.8874 0.8874 0.8965 0.8965 0.9128 0.9128 1.7241 1.7241 1.8464 1.8464 3.0969 3.0969 3.1081 3.1081 5.2147 5.2147 5.2353 5.2353 7.1294 7.1294 7.1489 7.1489 8.2635 8.2635 8.2976 8.2976 11.6836 11.6836 11.6934 11.6934 12.1162 12.1162 k = 0.3667 0.5196 0.2384 ( 4940 PWs) bands (ev): -27.3435 -27.3435 -27.3435 -27.3435 -10.2129 -10.2129 -10.2128 -10.2128 -9.1087 -9.1087 -9.1085 -9.1085 -9.0588 -9.0588 -9.0588 -9.0588 0.0054 0.0054 0.1553 0.1553 0.5315 0.5315 0.5476 0.5476 0.5616 0.5616 0.8448 0.8448 0.8754 0.8754 0.8870 0.8870 0.8962 0.8962 0.9118 0.9118 1.7393 1.7393 1.8637 1.8637 3.0906 3.0906 3.1024 3.1024 5.1681 5.1681 5.1887 5.1887 7.1390 7.1390 7.1593 7.1593 8.2615 8.2615 8.2970 8.2970 11.8010 11.8010 11.8131 11.8131 12.1460 12.1461 k = 0.3600 0.5312 0.2384 ( 4930 PWs) bands (ev): -27.3434 -27.3434 -27.3434 -27.3434 -10.2131 -10.2131 -10.2130 -10.2130 -9.1083 -9.1083 -9.1082 -9.1082 -9.0599 -9.0599 -9.0598 -9.0598 0.0078 0.0078 0.1618 0.1618 0.5312 0.5312 0.5466 0.5466 0.5594 0.5594 0.8479 0.8479 0.8751 0.8751 0.8867 0.8867 0.8960 0.8960 0.9109 0.9109 1.7533 1.7533 1.8794 1.8794 3.0834 3.0834 3.0958 3.0958 5.1300 5.1300 5.1506 5.1506 7.1475 7.1475 7.1686 7.1686 8.2589 8.2589 8.2956 8.2956 11.9018 11.9018 11.9161 11.9161 12.1781 12.1783 k = 0.3533 0.5427 0.2384 ( 4930 PWs) bands (ev): -27.3434 -27.3434 -27.3434 -27.3434 -10.2132 -10.2132 -10.2132 -10.2132 -9.1080 -9.1080 -9.1079 -9.1079 -9.0607 -9.0607 -9.0606 -9.0606 0.0097 0.0097 0.1671 0.1671 0.5311 0.5311 0.5458 0.5458 0.5577 0.5577 0.8503 0.8503 0.8749 0.8749 0.8865 0.8865 0.8958 0.8958 0.9102 0.9102 1.7653 1.7653 1.8929 1.8929 3.0760 3.0760 3.0890 3.0890 5.1007 5.1007 5.1213 5.1213 7.1547 7.1547 7.1765 7.1765 8.2561 8.2561 8.2939 8.2939 11.9866 11.9866 12.0031 12.0031 12.2075 12.2075 k = 0.3467 0.5543 0.2384 ( 4934 PWs) bands (ev): -27.3434 -27.3434 -27.3434 -27.3434 -10.2133 -10.2133 -10.2133 -10.2133 -9.1079 -9.1079 -9.1077 -9.1077 -9.0613 -9.0613 -9.0612 -9.0612 0.0112 0.0112 0.1709 0.1709 0.5309 0.5309 0.5452 0.5452 0.5566 0.5566 0.8521 0.8521 0.8748 0.8748 0.8863 0.8863 0.8957 0.8957 0.9096 0.9096 1.7748 1.7748 1.9034 1.9034 3.0694 3.0694 3.0827 3.0827 5.0800 5.0800 5.1006 5.1006 7.1603 7.1603 7.1825 7.1825 8.2535 8.2535 8.2920 8.2920 12.0567 12.0567 12.0765 12.0765 12.2319 12.2319 k = 0.3400 0.5658 0.2384 ( 4918 PWs) bands (ev): -27.3433 -27.3433 -27.3433 -27.3433 -10.2134 -10.2134 -10.2134 -10.2134 -9.1078 -9.1078 -9.1076 -9.1076 -9.0616 -9.0616 -9.0616 -9.0616 0.0121 0.0121 0.1733 0.1733 0.5309 0.5309 0.5449 0.5449 0.5559 0.5559 0.8531 0.8531 0.8749 0.8749 0.8862 0.8862 0.8956 0.8956 0.9093 0.9093 1.7810 1.7810 1.9103 1.9103 3.0645 3.0645 3.0781 3.0781 5.0679 5.0679 5.0884 5.0884 7.1639 7.1639 7.1865 7.1865 8.2516 8.2516 8.2906 8.2906 12.1098 12.1098 12.1352 12.1352 12.2489 12.2489 k = 0.3333 0.5774 0.2384 ( 4932 PWs) bands (ev): -27.3433 -27.3433 -27.3433 -27.3433 -10.2134 -10.2134 -10.2134 -10.2134 -9.1077 -9.1077 -9.1076 -9.1076 -9.0618 -9.0618 -9.0617 -9.0617 0.0124 0.0124 0.1741 0.1741 0.5308 0.5308 0.5448 0.5448 0.5556 0.5556 0.8534 0.8534 0.8749 0.8749 0.8862 0.8862 0.8956 0.8956 0.9091 0.9091 1.7832 1.7832 1.9127 1.9127 3.0625 3.0625 3.0763 3.0763 5.0639 5.0639 5.0844 5.0844 7.1652 7.1652 7.1879 7.1879 8.2508 8.2508 8.2900 8.2900 12.1325 12.1325 12.1629 12.1629 12.2530 12.2530 k = 0.3333 0.5774 0.2384 ( 4932 PWs) bands (ev): -27.3433 -27.3433 -27.3433 -27.3433 -10.2134 -10.2134 -10.2134 -10.2134 -9.1077 -9.1077 -9.1076 -9.1076 -9.0618 -9.0618 -9.0617 -9.0617 0.0124 0.0124 0.1741 0.1741 0.5308 0.5308 0.5448 0.5448 0.5556 0.5556 0.8534 0.8534 0.8749 0.8749 0.8862 0.8862 0.8956 0.8956 0.9091 0.9091 1.7832 1.7832 1.9127 1.9127 3.0625 3.0625 3.0763 3.0763 5.0639 5.0639 5.0844 5.0844 7.1652 7.1652 7.1879 7.1879 8.2508 8.2508 8.2900 8.2900 12.1325 12.1325 12.1629 12.1629 12.2530 12.2530 k = 0.3265 0.5656 0.2384 ( 4920 PWs) bands (ev): -27.3433 -27.3433 -27.3433 -27.3433 -10.2134 -10.2134 -10.2134 -10.2134 -9.1078 -9.1078 -9.1076 -9.1076 -9.0616 -9.0616 -9.0616 -9.0616 0.0121 0.0121 0.1733 0.1733 0.5309 0.5309 0.5448 0.5448 0.5559 0.5559 0.8531 0.8531 0.8748 0.8748 0.8862 0.8862 0.8956 0.8956 0.9093 0.9093 1.7807 1.7807 1.9100 1.9100 3.0649 3.0649 3.0786 3.0786 5.0679 5.0679 5.0884 5.0884 7.1638 7.1638 7.1863 7.1863 8.2518 8.2518 8.2908 8.2908 12.1060 12.1060 12.1300 12.1300 12.2557 12.2557 k = 0.3197 0.5538 0.2384 ( 4934 PWs) bands (ev): -27.3434 -27.3434 -27.3434 -27.3434 -10.2133 -10.2133 -10.2133 -10.2133 -9.1078 -9.1078 -9.1076 -9.1076 -9.0613 -9.0613 -9.0612 -9.0612 0.0109 0.0109 0.1707 0.1707 0.5309 0.5309 0.5446 0.5446 0.5569 0.5569 0.8522 0.8522 0.8746 0.8746 0.8863 0.8863 0.8957 0.8957 0.9096 0.9096 1.7729 1.7729 1.9014 1.9014 3.0729 3.0729 3.0861 3.0861 5.0794 5.0794 5.1000 5.1000 7.1592 7.1592 7.1813 7.1813 8.2550 8.2550 8.2935 8.2935 12.0431 12.0431 12.0599 12.0599 12.2585 12.2585 k = 0.3129 0.5420 0.2384 ( 4938 PWs) bands (ev): -27.3434 -27.3434 -27.3434 -27.3434 -10.2132 -10.2132 -10.2131 -10.2131 -9.1078 -9.1078 -9.1077 -9.1077 -9.0608 -9.0608 -9.0607 -9.0607 0.0091 0.0091 0.1664 0.1664 0.5310 0.5310 0.5442 0.5442 0.5587 0.5587 0.8508 0.8508 0.8741 0.8741 0.8864 0.8864 0.8958 0.8958 0.9101 0.9101 1.7594 1.7594 1.8868 1.8868 3.0873 3.0873 3.0999 3.0999 5.0980 5.0980 5.1187 5.1187 7.1512 7.1512 7.1727 7.1727 8.2611 8.2611 8.2986 8.2986 11.9659 11.9659 11.9789 11.9789 12.2623 12.2623 k = 0.3061 0.5302 0.2384 ( 4938 PWs) bands (ev): -27.3435 -27.3435 -27.3435 -27.3435 -10.2129 -10.2129 -10.2129 -10.2129 -9.1078 -9.1078 -9.1077 -9.1077 -9.0601 -9.0601 -9.0600 -9.0600 0.0063 0.0063 0.1603 0.1603 0.5311 0.5311 0.5435 0.5435 0.5612 0.5612 0.8490 0.8490 0.8734 0.8734 0.8866 0.8866 0.8959 0.8959 0.9107 0.9107 1.7404 1.7404 1.8662 1.8662 3.1089 3.1089 3.1206 3.1206 5.1230 5.1230 5.1438 5.1438 7.1396 7.1396 7.1602 7.1602 8.2703 8.2703 8.3066 8.3066 11.8837 11.8837 11.8944 11.8944 12.2656 12.2656 k = 0.2993 0.5184 0.2384 ( 4940 PWs) bands (ev): -27.3435 -27.3435 -27.3435 -27.3435 -10.2126 -10.2126 -10.2125 -10.2125 -9.1078 -9.1078 -9.1076 -9.1076 -9.0593 -9.0593 -9.0592 -9.0592 0.0026 0.0026 0.1526 0.1526 0.5313 0.5313 0.5425 0.5425 0.5641 0.5641 0.8468 0.8468 0.8725 0.8725 0.8868 0.8868 0.8961 0.8961 0.9113 0.9113 1.7160 1.7160 1.8399 1.8399 3.1379 3.1379 3.1486 3.1486 5.1539 5.1539 5.1749 5.1749 7.1243 7.1243 7.1437 7.1437 8.2831 8.2831 8.3179 8.3179 11.7995 11.7995 11.8085 11.8085 12.2683 12.2683 k = 0.2925 0.5067 0.2384 ( 4946 PWs) bands (ev): -27.3436 -27.3436 -27.3436 -27.3436 -10.2122 -10.2122 -10.2121 -10.2121 -9.1076 -9.1076 -9.1074 -9.1074 -9.0584 -9.0584 -9.0583 -9.0583 -0.0021 -0.0021 0.1431 0.1431 0.5314 0.5314 0.5413 0.5413 0.5674 0.5674 0.8441 0.8441 0.8713 0.8713 0.8870 0.8870 0.8964 0.8964 0.9119 0.9119 1.6867 1.6867 1.8086 1.8086 3.1744 3.1744 3.1840 3.1840 5.1902 5.1902 5.2113 5.2113 7.1051 7.1051 7.1232 7.1232 8.2996 8.2996 8.3327 8.3327 11.7148 11.7148 11.7225 11.7225 12.2705 12.2705 k = 0.2857 0.4949 0.2384 ( 4962 PWs) bands (ev): -27.3437 -27.3437 -27.3437 -27.3437 -10.2117 -10.2117 -10.2116 -10.2116 -9.1073 -9.1073 -9.1071 -9.1071 -9.0573 -9.0573 -9.0572 -9.0572 -0.0078 -0.0078 0.1320 0.1320 0.5315 0.5315 0.5400 0.5400 0.5709 0.5709 0.8409 0.8409 0.8699 0.8699 0.8871 0.8871 0.8967 0.8967 0.9124 0.9124 1.6533 1.6533 1.7729 1.7729 3.2181 3.2181 3.2267 3.2267 5.2312 5.2312 5.2526 5.2526 7.0823 7.0823 7.0989 7.0989 8.3201 8.3201 8.3512 8.3512 11.6301 11.6301 11.6367 11.6367 12.2722 12.2722 k = 0.2789 0.4831 0.2384 ( 4966 PWs) bands (ev): -27.3438 -27.3438 -27.3438 -27.3438 -10.2111 -10.2111 -10.2111 -10.2111 -9.1069 -9.1069 -9.1067 -9.1067 -9.0562 -9.0562 -9.0561 -9.0561 -0.0147 -0.0147 0.1191 0.1191 0.5317 0.5317 0.5385 0.5385 0.5744 0.5744 0.8373 0.8373 0.8684 0.8684 0.8872 0.8872 0.8970 0.8970 0.9128 0.9128 1.6166 1.6166 1.7339 1.7339 3.2688 3.2688 3.2765 3.2765 5.2766 5.2766 5.2982 5.2982 7.0559 7.0559 7.0710 7.0710 8.3445 8.3445 8.3735 8.3735 11.5460 11.5460 11.5516 11.5516 12.2731 12.2731 k = 0.2721 0.4713 0.2384 ( 4964 PWs) bands (ev): -27.3440 -27.3440 -27.3440 -27.3440 -10.2104 -10.2104 -10.2104 -10.2104 -9.1063 -9.1063 -9.1061 -9.1061 -9.0550 -9.0550 -9.0549 -9.0549 -0.0227 -0.0227 0.1046 0.1046 0.5318 0.5318 0.5370 0.5370 0.5780 0.5780 0.8331 0.8331 0.8667 0.8667 0.8873 0.8873 0.8974 0.8974 0.9130 0.9130 1.5775 1.5775 1.6924 1.6924 3.3260 3.3260 3.3330 3.3330 5.3258 5.3258 5.3477 5.3477 7.0263 7.0263 7.0397 7.0397 8.3729 8.3729 8.3997 8.3997 11.4627 11.4627 11.4674 11.4674 12.2729 12.2729 k = 0.2653 0.4595 0.2384 ( 4972 PWs) bands (ev): -27.3441 -27.3441 -27.3441 -27.3441 -10.2096 -10.2096 -10.2096 -10.2096 -9.1055 -9.1055 -9.1053 -9.1053 -9.0538 -9.0538 -9.0537 -9.0537 -0.0321 -0.0321 0.0884 0.0884 0.5318 0.5318 0.5353 0.5353 0.5815 0.5815 0.8283 0.8283 0.8650 0.8650 0.8873 0.8873 0.8977 0.8977 0.9130 0.9130 1.5368 1.5368 1.6492 1.6492 3.3893 3.3893 3.3958 3.3958 5.3785 5.3785 5.4006 5.4006 6.9937 6.9937 7.0055 7.0055 8.4051 8.4051 8.4297 8.4297 11.3805 11.3805 11.3843 11.3843 12.2696 12.2697 k = 0.2585 0.4477 0.2384 ( 4956 PWs) bands (ev): -27.3443 -27.3443 -27.3443 -27.3443 -10.2087 -10.2087 -10.2087 -10.2087 -9.1046 -9.1046 -9.1044 -9.1044 -9.0525 -9.0525 -9.0524 -9.0524 -0.0429 -0.0429 0.0705 0.0705 0.5319 0.5319 0.5336 0.5336 0.5850 0.5850 0.8229 0.8229 0.8632 0.8632 0.8872 0.8872 0.8981 0.8981 0.9129 0.9129 1.4955 1.4955 1.6051 1.6051 3.4584 3.4584 3.4645 3.4645 5.4341 5.4341 5.4566 5.4566 6.9585 6.9585 6.9688 6.9688 8.4410 8.4410 8.4634 8.4634 11.2996 11.2996 11.3025 11.3025 12.2568 12.2568 k = 0.2517 0.4360 0.2384 ( 4966 PWs) bands (ev): -27.3445 -27.3445 -27.3445 -27.3445 -10.2077 -10.2077 -10.2077 -10.2077 -9.1035 -9.1035 -9.1033 -9.1033 -9.0512 -9.0512 -9.0511 -9.0511 -0.0551 -0.0551 0.0508 0.0508 0.5317 0.5317 0.5319 0.5319 0.5882 0.5882 0.8167 0.8167 0.8612 0.8612 0.8870 0.8870 0.8984 0.8984 0.9126 0.9126 1.4542 1.4542 1.5608 1.5608 3.5327 3.5327 3.5387 3.5387 5.4922 5.4922 5.5150 5.5150 6.9214 6.9214 6.9301 6.9301 8.4805 8.4805 8.5007 8.5007 11.2201 11.2201 11.2222 11.2222 12.2159 12.2159 k = 0.2449 0.4242 0.2384 ( 4954 PWs) bands (ev): -27.3447 -27.3447 -27.3447 -27.3447 -10.2066 -10.2066 -10.2066 -10.2066 -9.1022 -9.1022 -9.1020 -9.1020 -9.0499 -9.0499 -9.0497 -9.0497 -0.0688 -0.0688 0.0295 0.0295 0.5299 0.5299 0.5318 0.5318 0.5913 0.5913 0.8098 0.8098 0.8593 0.8593 0.8867 0.8867 0.8988 0.8988 0.9121 0.9121 1.4138 1.4138 1.5170 1.5170 3.6120 3.6120 3.6180 3.6180 5.5525 5.5525 5.5755 5.5755 6.8826 6.8826 6.8899 6.8899 8.5235 8.5235 8.5416 8.5416 11.1421 11.1421 11.1434 11.1434 12.1543 12.1543 k = 0.2381 0.4124 0.2384 ( 4954 PWs) bands (ev): -27.3449 -27.3449 -27.3449 -27.3449 -10.2055 -10.2055 -10.2054 -10.2054 -9.1007 -9.1007 -9.1005 -9.1005 -9.0485 -9.0485 -9.0484 -9.0484 -0.0841 -0.0841 0.0065 0.0065 0.5279 0.5279 0.5316 0.5316 0.5942 0.5942 0.8019 0.8019 0.8573 0.8573 0.8863 0.8863 0.8991 0.8991 0.9115 0.9115 1.3748 1.3748 1.4741 1.4741 3.6960 3.6960 3.7022 3.7022 5.6143 5.6143 5.6376 5.6376 6.8430 6.8430 6.8488 6.8488 8.5697 8.5697 8.5858 8.5858 11.0659 11.0659 11.0664 11.0664 12.0847 12.0847 k = 0.2313 0.4006 0.2384 ( 4962 PWs) bands (ev): -27.3452 -27.3452 -27.3452 -27.3452 -10.2042 -10.2042 -10.2041 -10.2041 -9.0990 -9.0990 -9.0988 -9.0988 -9.0471 -9.0471 -9.0470 -9.0470 -0.1012 -0.1012 -0.0182 -0.0182 0.5259 0.5259 0.5313 0.5313 0.5969 0.5969 0.7933 0.7933 0.8552 0.8552 0.8856 0.8856 0.8993 0.8993 0.9108 0.9108 1.3377 1.3377 1.4326 1.4326 3.7845 3.7845 3.7909 3.7909 5.6771 5.6771 5.7005 5.7005 6.8031 6.8031 6.8075 6.8075 8.6191 8.6191 8.6333 8.6333 10.9911 10.9911 10.9914 10.9914 12.0124 12.0124 k = 0.2245 0.3888 0.2384 ( 4962 PWs) bands (ev): -27.3454 -27.3454 -27.3454 -27.3454 -10.2028 -10.2028 -10.2028 -10.2028 -9.0972 -9.0972 -9.0970 -9.0970 -9.0457 -9.0457 -9.0455 -9.0455 -0.1199 -0.1199 -0.0445 -0.0445 0.5239 0.5239 0.5309 0.5309 0.5995 0.5995 0.7837 0.7837 0.8532 0.8532 0.8847 0.8847 0.8996 0.8996 0.9100 0.9100 1.3030 1.3030 1.3929 1.3929 3.8770 3.8770 3.8838 3.8838 5.7402 5.7402 5.7636 5.7636 6.7638 6.7638 6.7668 6.7668 8.6714 8.6714 8.6838 8.6838 10.9178 10.9178 10.9188 10.9188 11.9392 11.9392 k = 0.2177 0.3770 0.2384 ( 4962 PWs) bands (ev): -27.3457 -27.3457 -27.3457 -27.3457 -10.2013 -10.2013 -10.2013 -10.2013 -9.0952 -9.0952 -9.0950 -9.0950 -9.0443 -9.0443 -9.0441 -9.0441 -0.1403 -0.1403 -0.0724 -0.0724 0.5218 0.5218 0.5304 0.5304 0.6018 0.6018 0.7735 0.7735 0.8511 0.8511 0.8836 0.8836 0.8998 0.8998 0.9091 0.9091 1.2709 1.2709 1.3552 1.3552 3.9736 3.9736 3.9808 3.9808 5.8026 5.8026 5.8259 5.8259 6.7263 6.7263 6.7278 6.7278 8.7266 8.7266 8.7373 8.7373 10.8466 10.8466 10.8482 10.8482 11.8662 11.8662 k = 0.2109 0.3653 0.2384 ( 4962 PWs) bands (ev): -27.3460 -27.3460 -27.3460 -27.3460 -10.1998 -10.1998 -10.1998 -10.1998 -9.0930 -9.0930 -9.0928 -9.0928 -9.0428 -9.0428 -9.0426 -9.0426 -0.1625 -0.1625 -0.1017 -0.1017 0.5197 0.5197 0.5297 0.5297 0.6040 0.6040 0.7625 0.7625 0.8489 0.8489 0.8821 0.8821 0.9001 0.9001 0.9083 0.9083 1.2416 1.2416 1.3197 1.3197 4.0739 4.0739 4.0816 4.0816 5.8630 5.8630 5.8860 5.8860 6.6919 6.6919 6.6920 6.6920 8.7846 8.7846 8.7937 8.7937 10.7775 10.7775 10.7798 10.7798 11.7941 11.7941 k = 0.2041 0.3535 0.2384 ( 4962 PWs) bands (ev): -27.3463 -27.3463 -27.3463 -27.3463 -10.1982 -10.1982 -10.1982 -10.1982 -9.0908 -9.0908 -9.0905 -9.0905 -9.0413 -9.0413 -9.0411 -9.0411 -0.1863 -0.1863 -0.1323 -0.1323 0.5176 0.5176 0.5288 0.5288 0.6060 0.6060 0.7511 0.7511 0.8468 0.8468 0.8804 0.8804 0.9003 0.9003 0.9074 0.9074 1.2151 1.2151 1.2866 1.2866 4.1778 4.1778 4.1860 4.1860 5.9198 5.9198 5.9420 5.9420 6.6610 6.6610 6.6630 6.6630 8.8451 8.8451 8.8527 8.8527 10.7106 10.7106 10.7136 10.7136 11.7233 11.7233 k = 0.1973 0.3417 0.2384 ( 4968 PWs) bands (ev): -27.3466 -27.3466 -27.3466 -27.3466 -10.1965 -10.1965 -10.1965 -10.1965 -9.0884 -9.0884 -9.0882 -9.0882 -9.0398 -9.0398 -9.0396 -9.0396 -0.2118 -0.2118 -0.1642 -0.1642 0.5155 0.5155 0.5277 0.5277 0.6078 0.6078 0.7395 0.7395 0.8446 0.8446 0.8782 0.8782 0.9006 0.9006 0.9066 0.9066 1.1913 1.1913 1.2560 1.2560 4.2851 4.2851 4.2939 4.2939 5.9703 5.9703 5.9913 5.9913 6.6375 6.6375 6.6418 6.6418 8.9081 8.9081 8.9143 8.9143 10.6461 10.6461 10.6498 10.6498 11.6540 11.6540 k = 0.1905 0.3299 0.2384 ( 4960 PWs) bands (ev): -27.3469 -27.3469 -27.3469 -27.3469 -10.1948 -10.1948 -10.1948 -10.1948 -9.0859 -9.0859 -9.0857 -9.0857 -9.0382 -9.0382 -9.0380 -9.0380 -0.2387 -0.2387 -0.1971 -0.1971 0.5134 0.5134 0.5264 0.5264 0.6095 0.6095 0.7278 0.7278 0.8424 0.8424 0.8758 0.8758 0.9009 0.9009 0.9060 0.9060 1.1703 1.1703 1.2278 1.2278 4.3956 4.3956 4.4050 4.4050 6.0116 6.0116 6.0307 6.0307 6.6247 6.6247 6.6319 6.6319 8.9735 8.9735 8.9783 8.9783 10.5841 10.5841 10.5884 10.5884 11.5866 11.5866 k = 0.1837 0.3181 0.2384 ( 4970 PWs) bands (ev): -27.3473 -27.3473 -27.3473 -27.3473 -10.1930 -10.1930 -10.1930 -10.1930 -9.0834 -9.0834 -9.0832 -9.0832 -9.0365 -9.0365 -9.0363 -9.0363 -0.2670 -0.2670 -0.2309 -0.2309 0.5113 0.5113 0.5249 0.5249 0.6111 0.6111 0.7164 0.7164 0.8401 0.8401 0.8729 0.8729 0.9012 0.9012 0.9053 0.9053 1.1516 1.1516 1.2021 1.2021 4.5091 4.5091 4.5191 4.5191 6.0405 6.0405 6.0571 6.0571 6.6258 6.6258 6.6363 6.6363 9.0410 9.0410 9.0446 9.0446 10.5247 10.5247 10.5296 10.5296 11.5213 11.5213 k = 0.1769 0.3063 0.2384 ( 4982 PWs) bands (ev): -27.3476 -27.3476 -27.3476 -27.3476 -10.1912 -10.1912 -10.1911 -10.1911 -9.0809 -9.0809 -9.0807 -9.0807 -9.0347 -9.0347 -9.0345 -9.0345 -0.2965 -0.2965 -0.2654 -0.2654 0.5092 0.5092 0.5231 0.5231 0.6125 0.6125 0.7053 0.7053 0.8378 0.8378 0.8696 0.8696 0.9016 0.9016 0.9048 0.9048 1.1351 1.1351 1.1789 1.1789 4.6255 4.6255 4.6361 4.6361 6.0548 6.0548 6.0688 6.0688 6.6431 6.6431 6.6571 6.6571 9.1106 9.1106 9.1130 9.1130 10.4680 10.4680 10.4735 10.4735 11.4582 11.4582 k = 0.1701 0.2946 0.2384 ( 4972 PWs) bands (ev): -27.3480 -27.3480 -27.3480 -27.3480 -10.1893 -10.1893 -10.1893 -10.1893 -9.0784 -9.0784 -9.0782 -9.0782 -9.0328 -9.0328 -9.0326 -9.0326 -0.3270 -0.3270 -0.3004 -0.3004 0.5072 0.5072 0.5211 0.5211 0.6139 0.6139 0.6950 0.6950 0.8356 0.8356 0.8661 0.8661 0.9020 0.9020 0.9044 0.9044 1.1205 1.1205 1.1579 1.1579 4.7444 4.7444 4.7557 4.7557 6.0549 6.0549 6.0664 6.0664 6.6764 6.6764 6.6936 6.6936 9.1820 9.1820 9.1833 9.1833 10.4142 10.4142 10.4202 10.4202 11.3975 11.3975 k = 0.1633 0.2828 0.2384 ( 4978 PWs) bands (ev): -27.3483 -27.3483 -27.3483 -27.3483 -10.1874 -10.1874 -10.1874 -10.1874 -9.0759 -9.0759 -9.0757 -9.0757 -9.0308 -9.0308 -9.0306 -9.0306 -0.3583 -0.3583 -0.3356 -0.3356 0.5051 0.5051 0.5189 0.5189 0.6152 0.6152 0.6853 0.6853 0.8333 0.8333 0.8622 0.8622 0.9025 0.9025 0.9042 0.9042 1.1077 1.1077 1.1391 1.1391 4.8656 4.8656 4.8776 4.8776 6.0432 6.0432 6.0528 6.0528 6.7234 6.7234 6.7432 6.7432 9.2550 9.2550 9.2553 9.2553 10.3634 10.3634 10.3699 10.3699 11.3394 11.3394 k = 0.1565 0.2710 0.2384 ( 4982 PWs) bands (ev): -27.3487 -27.3487 -27.3487 -27.3487 -10.1855 -10.1855 -10.1855 -10.1855 -9.0735 -9.0735 -9.0733 -9.0733 -9.0286 -9.0286 -9.0284 -9.0284 -0.3901 -0.3901 -0.3710 -0.3710 0.5031 0.5031 0.5165 0.5165 0.6164 0.6164 0.6766 0.6766 0.8309 0.8309 0.8580 0.8580 0.9030 0.9030 0.9040 0.9040 1.0963 1.0963 1.1224 1.1224 4.9886 4.9886 5.0012 5.0012 6.0234 6.0234 6.0317 6.0317 6.7808 6.7808 6.8026 6.8026 9.3288 9.3288 9.3295 9.3295 10.3157 10.3157 10.3227 10.3227 11.2840 11.2840 k = 0.1497 0.2592 0.2384 ( 4980 PWs) bands (ev): -27.3491 -27.3491 -27.3491 -27.3491 -10.1836 -10.1836 -10.1836 -10.1836 -9.0712 -9.0712 -9.0710 -9.0710 -9.0263 -9.0263 -9.0261 -9.0261 -0.4223 -0.4223 -0.4063 -0.4063 0.5011 0.5011 0.5140 0.5140 0.6175 0.6175 0.6687 0.6687 0.8286 0.8286 0.8537 0.8537 0.9035 0.9035 0.9040 0.9040 1.0862 1.0862 1.1075 1.1075 5.1126 5.1126 5.1260 5.1260 5.9989 5.9989 6.0065 6.0065 6.8457 6.8457 6.8688 6.8688 9.4034 9.4034 9.4050 9.4050 10.2714 10.2714 10.2787 10.2787 11.2315 11.2315 k = 0.1429 0.2474 0.2384 ( 4980 PWs) bands (ev): -27.3494 -27.3494 -27.3494 -27.3494 -10.1817 -10.1817 -10.1817 -10.1817 -9.0690 -9.0690 -9.0688 -9.0688 -9.0239 -9.0239 -9.0237 -9.0237 -0.4546 -0.4546 -0.4412 -0.4412 0.4992 0.4992 0.5112 0.5112 0.6185 0.6185 0.6618 0.6618 0.8262 0.8262 0.8492 0.8492 0.9041 0.9041 0.9042 0.9042 1.0772 1.0772 1.0943 1.0943 5.2364 5.2364 5.2506 5.2506 5.9733 5.9733 5.9805 5.9805 6.9157 6.9157 6.9397 6.9397 9.4787 9.4787 9.4813 9.4813 10.2306 10.2306 10.2382 10.2382 11.1821 11.1821 k = 0.1361 0.2357 0.2384 ( 4984 PWs) bands (ev): -27.3498 -27.3498 -27.3498 -27.3498 -10.1798 -10.1798 -10.1798 -10.1798 -9.0670 -9.0670 -9.0668 -9.0668 -9.0212 -9.0212 -9.0211 -9.0211 -0.4867 -0.4867 -0.4757 -0.4757 0.4973 0.4973 0.5084 0.5084 0.6195 0.6195 0.6558 0.6558 0.8239 0.8239 0.8446 0.8446 0.9044 0.9044 0.9047 0.9047 1.0691 1.0691 1.0827 1.0827 5.3576 5.3576 5.3725 5.3725 5.9505 5.9505 5.9576 5.9576 6.9889 6.9889 7.0136 7.0136 9.5543 9.5543 9.5577 9.5577 10.1935 10.1935 10.2013 10.2013 11.1359 11.1359 k = 0.1293 0.2239 0.2384 ( 4990 PWs) bands (ev): -27.3501 -27.3501 -27.3501 -27.3501 -10.1780 -10.1780 -10.1780 -10.1780 -9.0652 -9.0652 -9.0650 -9.0650 -9.0185 -9.0185 -9.0183 -9.0183 -0.5186 -0.5186 -0.5095 -0.5095 0.4955 0.4955 0.5055 0.5055 0.6205 0.6205 0.6506 0.6506 0.8215 0.8215 0.8400 0.8400 0.9047 0.9047 0.9053 0.9053 1.0619 1.0619 1.0725 1.0725 5.4710 5.4710 5.4863 5.4863 5.9371 5.9371 5.9439 5.9439 7.0641 7.0641 7.0893 7.0893 9.6295 9.6295 9.6339 9.6339 10.1604 10.1604 10.1683 10.1683 11.0931 11.0931 k = 0.1224 0.2121 0.2384 ( 4986 PWs) bands (ev): -27.3505 -27.3505 -27.3505 -27.3505 -10.1762 -10.1762 -10.1762 -10.1762 -9.0635 -9.0635 -9.0633 -9.0633 -9.0156 -9.0156 -9.0155 -9.0155 -0.5498 -0.5498 -0.5424 -0.5424 0.4937 0.4937 0.5027 0.5027 0.6213 0.6213 0.6462 0.6462 0.8192 0.8192 0.8355 0.8355 0.9052 0.9052 0.9060 0.9060 1.0553 1.0553 1.0634 1.0634 5.5655 5.5655 5.5800 5.5800 5.9457 5.9457 5.9511 5.9511 7.1404 7.1404 7.1657 7.1657 9.7034 9.7034 9.7088 9.7088 10.1315 10.1315 10.1394 10.1394 11.0541 11.0541 k = 0.1156 0.2003 0.2384 ( 4978 PWs) bands (ev): -27.3508 -27.3508 -27.3508 -27.3508 -10.1744 -10.1744 -10.1744 -10.1744 -9.0620 -9.0620 -9.0619 -9.0619 -9.0126 -9.0126 -9.0125 -9.0125 -0.5804 -0.5804 -0.5744 -0.5744 0.4920 0.4920 0.4998 0.4998 0.6222 0.6222 0.6425 0.6425 0.8170 0.8170 0.8310 0.8310 0.9057 0.9057 0.9067 0.9067 1.0493 1.0493 1.0555 1.0555 5.6248 5.6248 5.6361 5.6361 5.9943 5.9943 5.9961 5.9961 7.2168 7.2168 7.2421 7.2421 9.7751 9.7751 9.7817 9.7817 10.1074 10.1074 10.1148 10.1148 11.0190 11.0190 k = 0.1088 0.1885 0.2384 ( 4974 PWs) bands (ev): -27.3512 -27.3512 -27.3512 -27.3512 -10.1727 -10.1727 -10.1727 -10.1727 -9.0606 -9.0606 -9.0605 -9.0605 -9.0095 -9.0095 -9.0094 -9.0094 -0.6100 -0.6100 -0.6052 -0.6052 0.4903 0.4903 0.4971 0.4971 0.6230 0.6230 0.6394 0.6394 0.8147 0.8147 0.8268 0.8268 0.9064 0.9064 0.9074 0.9074 1.0439 1.0439 1.0484 1.0484 5.6444 5.6444 5.6517 5.6517 6.0836 6.0836 6.0862 6.0862 7.2927 7.2927 7.3179 7.3179 9.8430 9.8430 9.8512 9.8512 10.0884 10.0884 10.0949 10.0949 10.9882 10.9882 k = 0.1020 0.1767 0.2384 ( 4978 PWs) bands (ev): -27.3515 -27.3515 -27.3515 -27.3515 -10.1710 -10.1710 -10.1710 -10.1710 -9.0594 -9.0594 -9.0594 -9.0594 -9.0064 -9.0064 -9.0063 -9.0063 -0.6386 -0.6386 -0.6348 -0.6348 0.4887 0.4887 0.4944 0.4944 0.6237 0.6237 0.6369 0.6369 0.8125 0.8125 0.8226 0.8226 0.9070 0.9070 0.9080 0.9080 1.0389 1.0389 1.0422 1.0422 5.6385 5.6385 5.6430 5.6430 6.1994 6.1994 6.2051 6.2051 7.3675 7.3675 7.3923 7.3923 9.9049 9.9049 9.9155 9.9155 10.0756 10.0756 10.0802 10.0802 10.9619 10.9620 k = 0.0952 0.1650 0.2384 ( 4990 PWs) bands (ev): -27.3518 -27.3518 -27.3518 -27.3518 -10.1694 -10.1694 -10.1694 -10.1694 -9.0584 -9.0584 -9.0583 -9.0583 -9.0033 -9.0033 -9.0032 -9.0032 -0.6660 -0.6660 -0.6630 -0.6630 0.4871 0.4871 0.4919 0.4919 0.6243 0.6243 0.6348 0.6348 0.8104 0.8104 0.8187 0.8187 0.9077 0.9077 0.9087 0.9087 1.0344 1.0344 1.0367 1.0367 5.6207 5.6207 5.6236 5.6236 6.3302 6.3302 6.3378 6.3378 7.4404 7.4404 7.4648 7.4648 9.9571 9.9571 9.9721 9.9721 10.0711 10.0711 10.0718 10.0718 10.9400 10.9400 k = 0.0884 0.1532 0.2384 ( 4984 PWs) bands (ev): -27.3521 -27.3521 -27.3521 -27.3521 -10.1679 -10.1679 -10.1679 -10.1679 -9.0575 -9.0575 -9.0574 -9.0574 -9.0002 -9.0002 -9.0001 -9.0001 -0.6920 -0.6920 -0.6896 -0.6896 0.4856 0.4856 0.4895 0.4895 0.6249 0.6249 0.6332 0.6332 0.8083 0.8083 0.8151 0.8151 0.9085 0.9085 0.9094 0.9094 1.0303 1.0303 1.0319 1.0319 5.5980 5.5980 5.5999 5.5999 6.4689 6.4689 6.4776 6.4776 7.5111 7.5111 7.5348 7.5348 9.9941 9.9941 10.0160 10.0160 10.0727 10.0727 10.0786 10.0786 10.9219 10.9220 k = 0.0816 0.1414 0.2384 ( 4984 PWs) bands (ev): -27.3524 -27.3524 -27.3524 -27.3524 -10.1665 -10.1665 -10.1665 -10.1665 -9.0567 -9.0567 -9.0567 -9.0567 -8.9971 -8.9971 -8.9971 -8.9971 -0.7165 -0.7165 -0.7147 -0.7147 0.4842 0.4842 0.4873 0.4873 0.6255 0.6255 0.6318 0.6318 0.8063 0.8063 0.8117 0.8117 0.9093 0.9093 0.9101 0.9101 1.0265 1.0265 1.0276 1.0276 5.5736 5.5736 5.5748 5.5748 6.6122 6.6122 6.6216 6.6216 7.5789 7.5789 7.6017 7.6017 10.0140 10.0140 10.0394 10.0394 10.0885 10.0885 10.0979 10.0979 10.9061 10.9061 k = 0.0748 0.1296 0.2384 ( 4976 PWs) bands (ev): -27.3527 -27.3527 -27.3527 -27.3527 -10.1652 -10.1652 -10.1652 -10.1652 -9.0560 -9.0560 -9.0560 -9.0560 -8.9942 -8.9942 -8.9942 -8.9942 -0.7394 -0.7394 -0.7381 -0.7381 0.4829 0.4829 0.4853 0.4853 0.6260 0.6260 0.6308 0.6308 0.8044 0.8044 0.8086 0.8086 0.9101 0.9101 0.9108 0.9108 1.0231 1.0231 1.0238 1.0238 5.5490 5.5490 5.5499 5.5499 6.7581 6.7581 6.7680 6.7680 7.6433 7.6433 7.6651 7.6651 10.0248 10.0248 10.0495 10.0495 10.1097 10.1097 10.1186 10.1186 10.8881 10.8885 k = 0.0680 0.1178 0.2384 ( 4980 PWs) bands (ev): -27.3529 -27.3529 -27.3529 -27.3529 -10.1639 -10.1639 -10.1639 -10.1639 -9.0554 -9.0554 -9.0554 -9.0554 -8.9914 -8.9914 -8.9914 -8.9914 -0.7607 -0.7607 -0.7597 -0.7597 0.4817 0.4817 0.4835 0.4835 0.6265 0.6265 0.6300 0.6300 0.8026 0.8026 0.8058 0.8058 0.9109 0.9109 0.9115 0.9115 1.0200 1.0200 1.0204 1.0204 5.5253 5.5253 5.5259 5.5259 6.9055 6.9055 6.9156 6.9156 7.7038 7.7038 7.7244 7.7244 10.0317 10.0317 10.0560 10.0560 10.1244 10.1244 10.1333 10.1333 10.8606 10.8612 k = 0.0612 0.1060 0.2384 ( 4972 PWs) bands (ev): -27.3531 -27.3531 -27.3531 -27.3531 -10.1628 -10.1628 -10.1628 -10.1628 -9.0549 -9.0549 -9.0549 -9.0549 -8.9888 -8.9888 -8.9887 -8.9887 -0.7801 -0.7801 -0.7794 -0.7794 0.4805 0.4805 0.4819 0.4819 0.6269 0.6269 0.6294 0.6294 0.8010 0.8010 0.8033 0.8033 0.9116 0.9116 0.9121 0.9121 1.0173 1.0173 1.0175 1.0175 5.5030 5.5030 5.5033 5.5033 7.0531 7.0531 7.0632 7.0632 7.7600 7.7600 7.7791 7.7791 10.0320 10.0320 10.0551 10.0551 10.1340 10.1340 10.1426 10.1426 10.8177 10.8178 k = 0.0544 0.0943 0.2384 ( 4976 PWs) bands (ev): -27.3533 -27.3533 -27.3533 -27.3533 -10.1618 -10.1618 -10.1618 -10.1618 -9.0545 -9.0545 -9.0545 -9.0545 -8.9863 -8.9863 -8.9863 -8.9863 -0.7977 -0.7977 -0.7973 -0.7973 0.4794 0.4794 0.4804 0.4804 0.6272 0.6272 0.6290 0.6290 0.7994 0.7994 0.8010 0.8010 0.9124 0.9124 0.9127 0.9127 1.0148 1.0148 1.0149 1.0149 5.4823 5.4823 5.4826 5.4826 7.1999 7.1999 7.2099 7.2099 7.8113 7.8113 7.8288 7.8288 10.0161 10.0161 10.0351 10.0351 10.1484 10.1484 10.1542 10.1542 10.7615 10.7615 k = 0.0476 0.0825 0.2384 ( 4984 PWs) bands (ev): -27.3535 -27.3535 -27.3535 -27.3535 -10.1609 -10.1609 -10.1609 -10.1609 -9.0542 -9.0542 -9.0541 -9.0541 -8.9841 -8.9841 -8.9841 -8.9841 -0.8134 -0.8134 -0.8131 -0.8131 0.4785 0.4785 0.4791 0.4791 0.6275 0.6275 0.6287 0.6287 0.7980 0.7980 0.7991 0.7991 0.9130 0.9130 0.9133 0.9133 1.0126 1.0126 1.0126 1.0126 5.4637 5.4637 5.4639 5.4639 7.3444 7.3444 7.3540 7.3540 7.8574 7.8574 7.8732 7.8732 9.9760 9.9760 9.9898 9.9898 10.1732 10.1732 10.1757 10.1757 10.7034 10.7034 k = 0.0408 0.0707 0.2384 ( 4980 PWs) bands (ev): -27.3537 -27.3537 -27.3537 -27.3537 -10.1601 -10.1601 -10.1601 -10.1601 -9.0539 -9.0539 -9.0539 -9.0539 -8.9821 -8.9821 -8.9821 -8.9821 -0.8272 -0.8272 -0.8270 -0.8270 0.4776 0.4776 0.4780 0.4780 0.6278 0.6278 0.6285 0.6285 0.7967 0.7967 0.7974 0.7974 0.9136 0.9136 0.9138 0.9138 1.0107 1.0107 1.0107 1.0107 5.4473 5.4473 5.4474 5.4474 7.4847 7.4847 7.4939 7.4939 7.8981 7.8981 7.9119 7.9119 9.9131 9.9131 9.9224 9.9224 10.2072 10.2072 10.2075 10.2075 10.6525 10.6525 k = 0.0340 0.0589 0.2384 ( 4976 PWs) bands (ev): -27.3538 -27.3538 -27.3538 -27.3538 -10.1594 -10.1594 -10.1594 -10.1594 -9.0536 -9.0536 -9.0536 -9.0536 -8.9804 -8.9804 -8.9804 -8.9804 -0.8389 -0.8389 -0.8388 -0.8388 0.4769 0.4769 0.4771 0.4771 0.6280 0.6280 0.6284 0.6284 0.7956 0.7956 0.7960 0.7960 0.9142 0.9142 0.9143 0.9143 1.0091 1.0091 1.0091 1.0091 5.4332 5.4332 5.4333 5.4333 7.6184 7.6184 7.6269 7.6269 7.9331 7.9331 7.9448 7.9448 9.8341 9.8341 9.8400 9.8400 10.2478 10.2478 10.2484 10.2484 10.6126 10.6126 k = 0.0272 0.0471 0.2384 ( 4968 PWs) bands (ev): -27.3540 -27.3540 -27.3540 -27.3540 -10.1588 -10.1588 -10.1588 -10.1588 -9.0534 -9.0534 -9.0534 -9.0534 -8.9790 -8.9790 -8.9790 -8.9790 -0.8485 -0.8485 -0.8484 -0.8484 0.4763 0.4763 0.4764 0.4764 0.6281 0.6281 0.6283 0.6283 0.7947 0.7947 0.7949 0.7949 0.9146 0.9146 0.9147 0.9147 1.0078 1.0078 1.0078 1.0078 5.4216 5.4216 5.4216 5.4216 7.7418 7.7418 7.7493 7.7493 7.9623 7.9623 7.9718 7.9718 9.7478 9.7478 9.7512 9.7512 10.2949 10.2949 10.2958 10.2958 10.5832 10.5833 k = 0.0204 0.0353 0.2384 ( 4968 PWs) bands (ev): -27.3540 -27.3540 -27.3540 -27.3540 -10.1584 -10.1584 -10.1584 -10.1584 -9.0533 -9.0533 -9.0533 -9.0533 -8.9779 -8.9779 -8.9779 -8.9779 -0.8560 -0.8560 -0.8560 -0.8560 0.4758 0.4758 0.4759 0.4759 0.6282 0.6282 0.6283 0.6283 0.7940 0.7940 0.7941 0.7941 0.9150 0.9150 0.9150 0.9150 1.0068 1.0068 1.0068 1.0068 5.4124 5.4124 5.4125 5.4125 7.8499 7.8499 7.8560 7.8560 7.9858 7.9858 7.9929 7.9929 9.6639 9.6639 9.6655 9.6655 10.3476 10.3476 10.3485 10.3485 10.5628 10.5628 k = 0.0136 0.0236 0.2384 ( 4972 PWs) bands (ev): -27.3541 -27.3541 -27.3541 -27.3541 -10.1581 -10.1581 -10.1581 -10.1581 -9.0532 -9.0532 -9.0532 -9.0532 -8.9771 -8.9771 -8.9771 -8.9771 -0.8614 -0.8614 -0.8614 -0.8614 0.4755 0.4755 0.4755 0.4755 0.6283 0.6283 0.6283 0.6283 0.7934 0.7934 0.7935 0.7935 0.9152 0.9152 0.9152 0.9152 1.0061 1.0061 1.0061 1.0061 5.4059 5.4059 5.4059 5.4059 7.9354 7.9354 7.9395 7.9395 8.0042 8.0042 8.0087 8.0087 9.5927 9.5927 9.5932 9.5932 10.4045 10.4045 10.4051 10.4051 10.5496 10.5496 k = 0.0068 0.0118 0.2384 ( 4980 PWs) bands (ev): -27.3542 -27.3542 -27.3542 -27.3542 -10.1579 -10.1579 -10.1579 -10.1579 -9.0531 -9.0531 -9.0531 -9.0531 -8.9766 -8.9766 -8.9766 -8.9766 -0.8647 -0.8647 -0.8647 -0.8647 0.4752 0.4752 0.4752 0.4752 0.6283 0.6283 0.6283 0.6283 0.7931 0.7931 0.7931 0.7931 0.9154 0.9154 0.9154 0.9154 1.0056 1.0056 1.0056 1.0056 5.4019 5.4019 5.4019 5.4019 7.9880 7.9880 7.9892 7.9892 8.0203 8.0203 8.0216 8.0216 9.5442 9.5442 9.5443 9.5443 10.4628 10.4628 10.4631 10.4631 10.5433 10.5436 k = 0.0000 0.0000 0.2384 ( 4980 PWs) bands (ev): -27.3542 -27.3542 -27.3542 -27.3542 -10.1578 -10.1578 -10.1578 -10.1578 -9.0531 -9.0531 -9.0531 -9.0531 -8.9765 -8.9765 -8.9765 -8.9765 -0.8657 -0.8657 -0.8657 -0.8657 0.4751 0.4751 0.4751 0.4751 0.6283 0.6283 0.6283 0.6283 0.7930 0.7930 0.7930 0.7930 0.9154 0.9154 0.9154 0.9154 1.0055 1.0055 1.0055 1.0055 5.4006 5.4006 5.4006 5.4006 8.0022 8.0022 8.0022 8.0022 8.0302 8.0302 8.0302 8.0302 9.5269 9.5269 9.5269 9.5269 10.5014 10.5014 10.5014 10.5014 10.5515 10.5515 k = 0.5000 0.2887 0.2384 ( 4988 PWs) bands (ev): -27.3445 -27.3445 -27.3445 -27.3445 -10.2091 -10.2091 -10.2091 -10.2091 -9.1194 -9.1194 -9.1194 -9.1194 -9.0317 -9.0317 -9.0317 -9.0317 -0.0216 -0.0216 -0.0216 -0.0216 0.5443 0.5443 0.5443 0.5443 0.7121 0.7121 0.7121 0.7121 0.8855 0.8855 0.8855 0.8855 0.9190 0.9190 0.9190 0.9190 1.5678 1.5678 1.5678 1.5678 3.0527 3.0527 3.0527 3.0527 6.6154 6.6154 6.6154 6.6154 6.9907 6.9907 6.9907 6.9907 8.1599 8.1599 8.1599 8.1599 9.3930 9.3930 9.3930 9.3930 12.5166 12.5166 k = 0.5000 0.2887 0.2251 ( 4992 PWs) bands (ev): -27.3447 -27.3447 -27.3444 -27.3444 -10.2097 -10.2097 -10.2086 -10.2086 -9.1196 -9.1196 -9.1193 -9.1193 -9.0332 -9.0332 -9.0301 -9.0301 -0.0262 -0.0262 -0.0170 -0.0170 0.5436 0.5436 0.5449 0.5449 0.7114 0.7114 0.7127 0.7127 0.8848 0.8848 0.8862 0.8862 0.9186 0.9186 0.9194 0.9194 1.5624 1.5624 1.5732 1.5732 3.0218 3.0218 3.0844 3.0844 6.5940 6.5940 6.6370 6.6370 6.9853 6.9853 6.9934 6.9934 8.1192 8.1192 8.1968 8.1968 9.3910 9.3910 9.4081 9.4081 12.4440 12.4440 k = 0.5000 0.2887 0.2119 ( 4988 PWs) bands (ev): -27.3448 -27.3448 -27.3443 -27.3443 -10.2102 -10.2102 -10.2080 -10.2080 -9.1199 -9.1199 -9.1192 -9.1192 -9.0346 -9.0346 -9.0285 -9.0285 -0.0308 -0.0308 -0.0125 -0.0125 0.5430 0.5430 0.5456 0.5456 0.7108 0.7108 0.7134 0.7134 0.8841 0.8841 0.8870 0.8870 0.9182 0.9182 0.9198 0.9198 1.5569 1.5569 1.5785 1.5785 2.9918 2.9918 3.1166 3.1166 6.5730 6.5730 6.6587 6.6587 6.9779 6.9779 6.9930 6.9930 8.0770 8.0770 8.2280 8.2280 9.4037 9.4037 9.4344 9.4344 12.3743 12.3743 k = 0.5000 0.2887 0.1986 ( 4990 PWs) bands (ev): -27.3449 -27.3449 -27.3442 -27.3442 -10.2108 -10.2108 -10.2075 -10.2075 -9.1202 -9.1202 -9.1191 -9.1191 -9.0359 -9.0359 -9.0269 -9.0269 -0.0353 -0.0353 -0.0080 -0.0080 0.5424 0.5424 0.5462 0.5462 0.7101 0.7101 0.7140 0.7140 0.8834 0.8834 0.8877 0.8877 0.9178 0.9178 0.9203 0.9203 1.5515 1.5515 1.5837 1.5837 2.9628 2.9628 3.1490 3.1490 6.5526 6.5526 6.6804 6.6804 6.9690 6.9690 6.9889 6.9889 8.0356 8.0356 8.2519 8.2519 9.4320 9.4320 9.4699 9.4699 12.3076 12.3076 k = 0.5000 0.2887 0.1854 ( 4984 PWs) bands (ev): -27.3450 -27.3450 -27.3441 -27.3441 -10.2113 -10.2113 -10.2070 -10.2070 -9.1205 -9.1205 -9.1191 -9.1191 -9.0372 -9.0372 -9.0253 -9.0253 -0.0397 -0.0397 -0.0037 -0.0037 0.5418 0.5418 0.5469 0.5469 0.7095 0.7095 0.7147 0.7147 0.8828 0.8828 0.8884 0.8884 0.9174 0.9174 0.9207 0.9207 1.5461 1.5461 1.5887 1.5887 2.9351 2.9351 3.1815 3.1815 6.5329 6.5329 6.7018 6.7018 6.9589 6.9589 6.9808 6.9808 7.9968 7.9968 8.2679 8.2679 9.4763 9.4763 9.5130 9.5130 12.2441 12.2441 k = 0.5000 0.2887 0.1721 ( 4980 PWs) bands (ev): -27.3451 -27.3451 -27.3440 -27.3440 -10.2118 -10.2118 -10.2065 -10.2065 -9.1209 -9.1209 -9.1191 -9.1191 -9.0383 -9.0383 -9.0237 -9.0237 -0.0440 -0.0440 0.0005 0.0005 0.5412 0.5412 0.5475 0.5475 0.7090 0.7090 0.7153 0.7153 0.8822 0.8822 0.8891 0.8891 0.9171 0.9171 0.9212 0.9212 1.5408 1.5408 1.5936 1.5936 2.9088 2.9088 3.2138 3.2138 6.5140 6.5140 6.7228 6.7228 6.9482 6.9482 6.9685 6.9685 7.9621 7.9621 8.2762 8.2762 9.5357 9.5357 9.5621 9.5621 12.1839 12.1839 k = 0.5000 0.2887 0.1589 ( 4968 PWs) bands (ev): -27.3452 -27.3452 -27.3439 -27.3439 -10.2123 -10.2123 -10.2061 -10.2061 -9.1213 -9.1213 -9.1191 -9.1191 -9.0394 -9.0394 -9.0221 -9.0221 -0.0481 -0.0481 0.0046 0.0046 0.5407 0.5407 0.5481 0.5481 0.7084 0.7084 0.7159 0.7159 0.8816 0.8816 0.8898 0.8898 0.9168 0.9168 0.9216 0.9216 1.5357 1.5357 1.5982 1.5982 2.8840 2.8840 3.2456 3.2456 6.4960 6.4960 6.7432 6.7432 6.9369 6.9369 6.9523 6.9523 7.9324 7.9324 8.2778 8.2778 9.6082 9.6082 9.6164 9.6164 12.1273 12.1273 k = 0.5000 0.2887 0.1457 ( 4964 PWs) bands (ev): -27.3453 -27.3453 -27.3438 -27.3438 -10.2128 -10.2128 -10.2056 -10.2056 -9.1217 -9.1217 -9.1192 -9.1192 -9.0403 -9.0403 -9.0205 -9.0205 -0.0520 -0.0520 0.0084 0.0084 0.5402 0.5402 0.5487 0.5487 0.7079 0.7079 0.7164 0.7164 0.8811 0.8811 0.8905 0.8905 0.9165 0.9165 0.9220 0.9220 1.5308 1.5308 1.6025 1.6025 2.8608 2.8608 3.2766 3.2766 6.4791 6.4791 6.7629 6.7629 6.9242 6.9242 6.9336 6.9336 7.9081 7.9081 8.2741 8.2741 9.6717 9.6717 9.6949 9.6949 12.0744 12.0744 k = 0.5000 0.2887 0.1324 ( 4968 PWs) bands (ev): -27.3454 -27.3454 -27.3437 -27.3437 -10.2133 -10.2133 -10.2052 -10.2052 -9.1221 -9.1221 -9.1192 -9.1192 -9.0412 -9.0412 -9.0191 -9.0191 -0.0557 -0.0557 0.0120 0.0120 0.5397 0.5397 0.5492 0.5492 0.7074 0.7074 0.7170 0.7170 0.8806 0.8806 0.8912 0.8912 0.9162 0.9162 0.9224 0.9224 1.5262 1.5262 1.6065 1.6065 2.8393 2.8393 3.3065 3.3065 6.4633 6.4633 6.7815 6.7815 6.9051 6.9051 6.9185 6.9185 7.8892 7.8892 8.2665 8.2665 9.7305 9.7305 9.7900 9.7900 12.0254 12.0254 k = 0.5000 0.2887 0.1192 ( 4968 PWs) bands (ev): -27.3455 -27.3455 -27.3436 -27.3436 -10.2137 -10.2137 -10.2048 -10.2048 -9.1226 -9.1226 -9.1193 -9.1193 -9.0419 -9.0419 -9.0177 -9.0177 -0.0592 -0.0592 0.0153 0.0153 0.5392 0.5392 0.5497 0.5497 0.7069 0.7069 0.7175 0.7175 0.8801 0.8801 0.8918 0.8918 0.9160 0.9160 0.9228 0.9228 1.5218 1.5218 1.6103 1.6103 2.8196 2.8196 3.3350 3.3350 6.4488 6.4488 6.7990 6.7990 6.8803 6.8803 6.9075 6.9075 7.8753 7.8753 8.2563 8.2563 9.7898 9.7898 9.8934 9.8934 11.9804 11.9804 k = 0.5000 0.2887 0.1059 ( 4962 PWs) bands (ev): -27.3455 -27.3455 -27.3435 -27.3435 -10.2141 -10.2141 -10.2045 -10.2045 -9.1230 -9.1230 -9.1194 -9.1194 -9.0426 -9.0426 -9.0163 -9.0163 -0.0623 -0.0623 0.0184 0.0184 0.5388 0.5388 0.5502 0.5502 0.7065 0.7065 0.7179 0.7179 0.8797 0.8797 0.8924 0.8924 0.9157 0.9157 0.9232 0.9232 1.5177 1.5177 1.6137 1.6137 2.8018 2.8018 3.3617 3.3617 6.4355 6.4355 6.8150 6.8150 6.8538 6.8538 6.8978 6.8978 7.8657 7.8657 8.2448 8.2448 9.8485 9.8485 10.0030 10.0030 11.9397 11.9397 k = 0.5000 0.2887 0.0927 ( 4962 PWs) bands (ev): -27.3456 -27.3456 -27.3435 -27.3435 -10.2145 -10.2145 -10.2042 -10.2042 -9.1234 -9.1234 -9.1195 -9.1195 -9.0432 -9.0432 -9.0152 -9.0152 -0.0652 -0.0652 0.0211 0.0211 0.5384 0.5384 0.5506 0.5506 0.7061 0.7061 0.7184 0.7184 0.8793 0.8793 0.8929 0.8929 0.9155 0.9155 0.9235 0.9235 1.5140 1.5140 1.6168 1.6168 2.7860 2.7860 3.3862 3.3862 6.4237 6.4237 6.8244 6.8244 6.8323 6.8323 6.8891 6.8891 7.8596 7.8596 8.2328 8.2328 9.9054 9.9054 10.1170 10.1170 11.9033 11.9033 k = 0.5000 0.2887 0.0795 ( 4960 PWs) bands (ev): -27.3457 -27.3457 -27.3434 -27.3434 -10.2148 -10.2148 -10.2039 -10.2039 -9.1237 -9.1237 -9.1196 -9.1196 -9.0436 -9.0436 -9.0141 -9.0141 -0.0677 -0.0677 0.0235 0.0235 0.5381 0.5381 0.5510 0.5510 0.7058 0.7058 0.7187 0.7187 0.8790 0.8790 0.8934 0.8934 0.9153 0.9153 0.9238 0.9238 1.5108 1.5108 1.6195 1.6195 2.7722 2.7722 3.4083 3.4083 6.4133 6.4133 6.8007 6.8007 6.8432 6.8432 6.8816 6.8816 7.8563 7.8563 8.2213 8.2213 9.9590 9.9590 10.2332 10.2332 11.8714 11.8714 k = 0.5000 0.2887 0.0662 ( 4968 PWs) bands (ev): -27.3457 -27.3457 -27.3434 -27.3434 -10.2151 -10.2151 -10.2037 -10.2037 -9.1241 -9.1241 -9.1197 -9.1197 -9.0440 -9.0440 -9.0132 -9.0132 -0.0699 -0.0699 0.0256 0.0256 0.5378 0.5378 0.5513 0.5513 0.7055 0.7055 0.7190 0.7190 0.8787 0.8787 0.8937 0.8937 0.9151 0.9151 0.9241 0.9241 1.5079 1.5079 1.6218 1.6218 2.7604 2.7604 3.4277 3.4277 6.4044 6.4044 6.7773 6.7773 6.8539 6.8539 6.8755 6.8755 7.8548 7.8548 8.2106 8.2106 10.0078 10.0078 10.3493 10.3493 11.8441 11.8441 k = 0.5000 0.2887 0.0530 ( 4972 PWs) bands (ev): -27.3458 -27.3458 -27.3433 -27.3433 -10.2153 -10.2153 -10.2035 -10.2035 -9.1244 -9.1244 -9.1198 -9.1198 -9.0444 -9.0444 -9.0124 -9.0124 -0.0717 -0.0717 0.0273 0.0273 0.5376 0.5376 0.5516 0.5516 0.7052 0.7052 0.7193 0.7193 0.8785 0.8785 0.8941 0.8941 0.9150 0.9150 0.9243 0.9243 1.5056 1.5056 1.6237 1.6237 2.7507 2.7507 3.4440 3.4440 6.3970 6.3970 6.7568 6.7568 6.8611 6.8611 6.8722 6.8722 7.8546 7.8546 8.2014 8.2014 10.0505 10.0505 10.4618 10.4618 11.8216 11.8216 k = 0.5000 0.2887 0.0397 ( 4974 PWs) bands (ev): -27.3458 -27.3458 -27.3433 -27.3433 -10.2155 -10.2155 -10.2034 -10.2034 -9.1246 -9.1246 -9.1198 -9.1198 -9.0446 -9.0446 -9.0118 -9.0118 -0.0731 -0.0731 0.0286 0.0286 0.5374 0.5374 0.5518 0.5518 0.7050 0.7050 0.7195 0.7195 0.8783 0.8783 0.8943 0.8943 0.9149 0.9149 0.9245 0.9245 1.5037 1.5037 1.6252 1.6252 2.7431 2.7431 3.4570 3.4570 6.3913 6.3913 6.7401 6.7401 6.8616 6.8616 6.8747 6.8747 7.8551 7.8551 8.1939 8.1939 10.0856 10.0856 10.5659 10.5659 11.8038 11.8038 k = 0.5000 0.2887 0.0265 ( 4980 PWs) bands (ev): -27.3458 -27.3458 -27.3433 -27.3433 -10.2157 -10.2157 -10.2033 -10.2033 -9.1248 -9.1248 -9.1199 -9.1199 -9.0448 -9.0448 -9.0113 -9.0113 -0.0741 -0.0741 0.0296 0.0296 0.5372 0.5372 0.5519 0.5519 0.7049 0.7049 0.7196 0.7196 0.8782 0.8782 0.8945 0.8945 0.9148 0.9148 0.9246 0.9246 1.5024 1.5024 1.6262 1.6262 2.7377 2.7377 3.4664 3.4664 6.3872 6.3872 6.7277 6.7277 6.8595 6.8595 6.8791 6.8791 7.8557 7.8557 8.1884 8.1884 10.1118 10.1118 10.6538 10.6538 11.7900 11.7900 k = 0.5000 0.2887 0.0132 ( 4980 PWs) bands (ev): -27.3459 -27.3459 -27.3432 -27.3432 -10.2157 -10.2157 -10.2032 -10.2032 -9.1249 -9.1249 -9.1199 -9.1199 -9.0449 -9.0449 -9.0111 -9.0111 -0.0747 -0.0747 0.0302 0.0302 0.5372 0.5372 0.5520 0.5520 0.7048 0.7048 0.7197 0.7197 0.8781 0.8781 0.8946 0.8946 0.9148 0.9148 0.9246 0.9246 1.5015 1.5015 1.6269 1.6269 2.7344 2.7344 3.4721 3.4721 6.3847 6.3847 6.7201 6.7201 6.8578 6.8578 6.8821 6.8821 7.8563 7.8563 8.1851 8.1851 10.1280 10.1280 10.7148 10.7148 11.7636 11.7636 k = 0.5000 0.2887-0.0000 ( 4980 PWs) bands (ev): -27.3459 -27.3459 -27.3432 -27.3432 -10.2158 -10.2158 -10.2032 -10.2032 -9.1249 -9.1249 -9.1199 -9.1199 -9.0449 -9.0449 -9.0110 -9.0110 -0.0749 -0.0749 0.0304 0.0304 0.5372 0.5372 0.5520 0.5520 0.7048 0.7048 0.7197 0.7197 0.8781 0.8781 0.8946 0.8946 0.9148 0.9148 0.9247 0.9247 1.5013 1.5013 1.6271 1.6271 2.7333 2.7333 3.4740 3.4740 6.3839 6.3839 6.7176 6.7176 6.8573 6.8573 6.8831 6.8831 7.8565 7.8565 8.1839 8.1839 10.1334 10.1334 10.7370 10.7370 11.7416 11.7416 k = 0.3333 0.5774-0.0000 ( 4941 PWs) bands (ev): -27.3446 -27.3446 -27.3420 -27.3420 -10.2194 -10.2194 -10.2081 -10.2081 -9.1176 -9.1176 -9.0976 -9.0976 -9.0883 -9.0883 -9.0339 -9.0339 0.0116 0.0116 0.1726 0.1726 0.5319 0.5319 0.5452 0.5452 0.5550 0.5550 0.8547 0.8547 0.8752 0.8752 0.8904 0.8904 0.8921 0.8921 0.9085 0.9085 1.7840 1.7840 1.9125 1.9125 3.0622 3.0622 3.0755 3.0755 4.6281 4.6281 5.6123 5.6123 7.0075 7.0075 7.0489 7.0489 8.7136 8.7136 8.7295 8.7295 10.8723 10.8723 10.8939 10.8939 11.2739 11.2739 k = 0.3333 0.5774 0.0132 ( 4950 PWs) bands (ev): -27.3446 -27.3446 -27.3420 -27.3420 -10.2194 -10.2194 -10.2081 -10.2081 -9.1176 -9.1176 -9.0977 -9.0977 -9.0882 -9.0882 -9.0340 -9.0340 0.0116 0.0116 0.1726 0.1726 0.5319 0.5319 0.5452 0.5452 0.5550 0.5550 0.8547 0.8547 0.8752 0.8752 0.8903 0.8903 0.8922 0.8922 0.9085 0.9085 1.7840 1.7840 1.9125 1.9125 3.0622 3.0622 3.0755 3.0755 4.6297 4.6297 5.6100 5.6100 7.0085 7.0085 7.0498 7.0498 8.7097 8.7097 8.7257 8.7257 10.8787 10.8787 10.9004 10.9004 11.2782 11.2782 k = 0.3333 0.5774 0.0265 ( 4950 PWs) bands (ev): -27.3446 -27.3446 -27.3421 -27.3421 -10.2193 -10.2193 -10.2082 -10.2082 -9.1175 -9.1175 -9.0978 -9.0978 -9.0879 -9.0879 -9.0343 -9.0343 0.0117 0.0117 0.1727 0.1727 0.5319 0.5319 0.5452 0.5452 0.5550 0.5550 0.8546 0.8546 0.8752 0.8752 0.8901 0.8901 0.8924 0.8924 0.9086 0.9086 1.7840 1.7840 1.9125 1.9125 3.0622 3.0622 3.0755 3.0755 4.6344 4.6344 5.6031 5.6031 7.0114 7.0114 7.0524 7.0524 8.6981 8.6981 8.7146 8.7146 10.8977 10.8977 10.9196 10.9196 11.2912 11.2912 k = 0.3333 0.5774 0.0397 ( 4950 PWs) bands (ev): -27.3446 -27.3446 -27.3421 -27.3421 -10.2192 -10.2192 -10.2083 -10.2083 -9.1173 -9.1173 -9.0980 -9.0980 -9.0874 -9.0874 -9.0348 -9.0348 0.0117 0.0117 0.1727 0.1727 0.5318 0.5318 0.5452 0.5452 0.5551 0.5551 0.8546 0.8546 0.8751 0.8751 0.8898 0.8898 0.8926 0.8926 0.9086 0.9086 1.7840 1.7840 1.9125 1.9125 3.0622 3.0622 3.0755 3.0755 4.6423 4.6423 5.5918 5.5918 7.0162 7.0162 7.0567 7.0567 8.6795 8.6795 8.6967 8.6967 10.9289 10.9289 10.9509 10.9509 11.3128 11.3128 k = 0.3333 0.5774 0.0530 ( 4950 PWs) bands (ev): -27.3446 -27.3446 -27.3421 -27.3421 -10.2190 -10.2190 -10.2084 -10.2084 -9.1170 -9.1170 -9.0983 -9.0983 -9.0867 -9.0867 -9.0356 -9.0356 0.0117 0.0117 0.1728 0.1728 0.5318 0.5318 0.5452 0.5452 0.5551 0.5551 0.8545 0.8545 0.8751 0.8751 0.8895 0.8895 0.8929 0.8929 0.9086 0.9086 1.7839 1.7839 1.9125 1.9125 3.0622 3.0622 3.0756 3.0756 4.6532 4.6532 5.5761 5.5761 7.0228 7.0228 7.0626 7.0626 8.6545 8.6545 8.6727 8.6727 10.9713 10.9713 10.9937 10.9937 11.3427 11.3427 k = 0.3333 0.5774 0.0662 ( 4956 PWs) bands (ev): -27.3445 -27.3445 -27.3422 -27.3422 -10.2188 -10.2188 -10.2086 -10.2086 -9.1167 -9.1167 -9.0986 -9.0986 -9.0858 -9.0858 -9.0365 -9.0365 0.0118 0.0118 0.1729 0.1729 0.5317 0.5317 0.5451 0.5451 0.5551 0.5551 0.8544 0.8544 0.8751 0.8751 0.8892 0.8892 0.8931 0.8931 0.9087 0.9087 1.7839 1.7839 1.9125 1.9125 3.0622 3.0622 3.0756 3.0756 4.6671 4.6671 5.5563 5.5563 7.0310 7.0310 7.0699 7.0699 8.6243 8.6243 8.6438 8.6438 11.0242 11.0242 11.0469 11.0469 11.3808 11.3808 k = 0.3333 0.5774 0.0795 ( 4935 PWs) bands (ev): -27.3445 -27.3445 -27.3422 -27.3422 -10.2186 -10.2186 -10.2088 -10.2088 -9.1163 -9.1163 -9.0990 -9.0990 -9.0848 -9.0848 -9.0377 -9.0377 0.0118 0.0118 0.1730 0.1730 0.5317 0.5317 0.5451 0.5451 0.5552 0.5552 0.8544 0.8544 0.8751 0.8751 0.8889 0.8889 0.8935 0.8935 0.9087 0.9087 1.7838 1.7838 1.9125 1.9125 3.0623 3.0623 3.0757 3.0757 4.6841 4.6841 5.5326 5.5326 7.0409 7.0409 7.0787 7.0787 8.5900 8.5900 8.6109 8.6109 11.0863 11.0863 11.1094 11.1094 11.4267 11.4267 k = 0.3333 0.5774 0.0927 ( 4950 PWs) bands (ev): -27.3444 -27.3444 -27.3423 -27.3423 -10.2183 -10.2183 -10.2090 -10.2090 -9.1158 -9.1158 -9.0995 -9.0995 -9.0836 -9.0836 -9.0390 -9.0390 0.0119 0.0119 0.1731 0.1731 0.5316 0.5316 0.5451 0.5451 0.5552 0.5552 0.8542 0.8542 0.8751 0.8751 0.8885 0.8885 0.8937 0.8937 0.9087 0.9087 1.7837 1.7837 1.9126 1.9126 3.0623 3.0623 3.0757 3.0757 4.7039 4.7039 5.5054 5.5054 7.0521 7.0521 7.0886 7.0886 8.5527 8.5527 8.5753 8.5753 11.1567 11.1567 11.1801 11.1801 11.4801 11.4801 k = 0.3333 0.5774 0.1059 ( 4953 PWs) bands (ev): -27.3443 -27.3443 -27.3423 -27.3423 -10.2180 -10.2180 -10.2093 -10.2093 -9.1153 -9.1153 -9.1000 -9.1000 -9.0822 -9.0822 -9.0405 -9.0405 0.0119 0.0119 0.1732 0.1732 0.5315 0.5315 0.5450 0.5450 0.5552 0.5552 0.8541 0.8541 0.8750 0.8750 0.8881 0.8881 0.8940 0.8940 0.9088 0.9088 1.7837 1.7837 1.9126 1.9126 3.0623 3.0623 3.0758 3.0758 4.7265 4.7265 5.4750 5.4750 7.0644 7.0644 7.0996 7.0996 8.5137 8.5137 8.5381 8.5381 11.2342 11.2342 11.2580 11.2580 11.5404 11.5404 k = 0.3333 0.5774 0.1192 ( 4953 PWs) bands (ev): -27.3443 -27.3443 -27.3424 -27.3424 -10.2176 -10.2176 -10.2096 -10.2096 -9.1147 -9.1147 -9.1006 -9.1006 -9.0806 -9.0806 -9.0422 -9.0422 0.0120 0.0120 0.1733 0.1733 0.5314 0.5314 0.5450 0.5450 0.5553 0.5553 0.8540 0.8540 0.8750 0.8750 0.8878 0.8878 0.8943 0.8943 0.9088 0.9088 1.7836 1.7836 1.9126 1.9126 3.0624 3.0624 3.0759 3.0759 4.7518 4.7518 5.4417 5.4417 7.0775 7.0775 7.1112 7.1112 8.4741 8.4741 8.5004 8.5004 11.3179 11.3179 11.3420 11.3420 11.6073 11.6073 k = 0.3333 0.5774 0.1324 ( 4962 PWs) bands (ev): -27.3442 -27.3442 -27.3425 -27.3425 -10.2172 -10.2172 -10.2099 -10.2099 -9.1141 -9.1141 -9.1012 -9.1012 -9.0789 -9.0789 -9.0440 -9.0440 0.0120 0.0120 0.1735 0.1735 0.5312 0.5312 0.5449 0.5449 0.5553 0.5553 0.8539 0.8539 0.8750 0.8750 0.8875 0.8875 0.8945 0.8945 0.9089 0.9089 1.7835 1.7835 1.9126 1.9126 3.0624 3.0624 3.0760 3.0760 4.7796 4.7796 5.4059 5.4059 7.0912 7.0912 7.1233 7.1233 8.4350 8.4350 8.4632 8.4632 11.4068 11.4068 11.4313 11.4313 11.6800 11.6800 k = 0.3333 0.5774 0.1457 ( 4968 PWs) bands (ev): -27.3441 -27.3441 -27.3426 -27.3426 -10.2168 -10.2168 -10.2103 -10.2103 -9.1134 -9.1134 -9.1019 -9.1019 -9.0771 -9.0771 -9.0459 -9.0459 0.0121 0.0121 0.1736 0.1736 0.5311 0.5311 0.5449 0.5449 0.5554 0.5554 0.8538 0.8538 0.8749 0.8749 0.8872 0.8872 0.8947 0.8947 0.9089 0.9089 1.7835 1.7835 1.9126 1.9126 3.0624 3.0624 3.0760 3.0760 4.8099 4.8099 5.3680 5.3680 7.1050 7.1050 7.1354 7.1354 8.3973 8.3973 8.4275 8.4275 11.5001 11.5001 11.5249 11.5249 11.7578 11.7578 k = 0.3333 0.5774 0.1589 ( 4965 PWs) bands (ev): -27.3440 -27.3440 -27.3427 -27.3427 -10.2163 -10.2163 -10.2107 -10.2107 -9.1127 -9.1127 -9.1027 -9.1027 -9.0752 -9.0752 -9.0480 -9.0480 0.0122 0.0122 0.1737 0.1737 0.5311 0.5311 0.5449 0.5449 0.5554 0.5554 0.8537 0.8537 0.8749 0.8749 0.8869 0.8869 0.8949 0.8949 0.9090 0.9090 1.7834 1.7834 1.9126 1.9126 3.0624 3.0624 3.0761 3.0761 4.8424 4.8424 5.3283 5.3283 7.1185 7.1185 7.1472 7.1472 8.3622 8.3622 8.3943 8.3943 11.5969 11.5969 11.6220 11.6220 11.8397 11.8397 k = 0.3333 0.5774 0.1721 ( 4956 PWs) bands (ev): -27.3439 -27.3439 -27.3428 -27.3428 -10.2159 -10.2159 -10.2111 -10.2111 -9.1119 -9.1119 -9.1034 -9.1034 -9.0731 -9.0731 -9.0501 -9.0501 0.0122 0.0122 0.1738 0.1738 0.5310 0.5310 0.5449 0.5449 0.5555 0.5555 0.8536 0.8536 0.8749 0.8749 0.8867 0.8867 0.8951 0.8951 0.9090 0.9090 1.7833 1.7833 1.9126 1.9126 3.0625 3.0625 3.0762 3.0762 4.8769 4.8769 5.2873 5.2873 7.1312 7.1312 7.1583 7.1583 8.3305 8.3305 8.3645 8.3645 11.6965 11.6965 11.7218 11.7218 11.9244 11.9244 k = 0.3333 0.5774 0.1854 ( 4950 PWs) bands (ev): -27.3438 -27.3438 -27.3429 -27.3429 -10.2154 -10.2154 -10.2115 -10.2115 -9.1111 -9.1111 -9.1042 -9.1042 -9.0709 -9.0709 -9.0523 -9.0523 0.0123 0.0123 0.1739 0.1739 0.5309 0.5309 0.5448 0.5448 0.5555 0.5555 0.8535 0.8535 0.8749 0.8749 0.8865 0.8865 0.8953 0.8953 0.9090 0.9090 1.7833 1.7833 1.9127 1.9127 3.0625 3.0625 3.0762 3.0762 4.9134 4.9134 5.2454 5.2454 7.1425 7.1425 7.1682 7.1682 8.3031 8.3031 8.3388 8.3388 11.7978 11.7978 11.8233 11.8233 12.0096 12.0096 k = 0.3333 0.5774 0.1986 ( 4950 PWs) bands (ev): -27.3437 -27.3437 -27.3430 -27.3430 -10.2149 -10.2149 -10.2120 -10.2120 -9.1102 -9.1102 -9.1051 -9.1051 -9.0687 -9.0687 -9.0546 -9.0546 0.0123 0.0123 0.1740 0.1740 0.5309 0.5309 0.5448 0.5448 0.5555 0.5555 0.8535 0.8535 0.8749 0.8749 0.8863 0.8863 0.8954 0.8954 0.9091 0.9091 1.7833 1.7833 1.9127 1.9127 3.0625 3.0625 3.0763 3.0763 4.9515 4.9515 5.2028 5.2028 7.1520 7.1520 7.1765 7.1765 8.2808 8.2808 8.3179 8.3179 11.8996 11.8996 11.9255 11.9255 12.0921 12.0921 k = 0.3333 0.5774 0.2119 ( 4938 PWs) bands (ev): -27.3436 -27.3436 -27.3431 -27.3431 -10.2144 -10.2144 -10.2124 -10.2124 -9.1094 -9.1094 -9.1059 -9.1059 -9.0664 -9.0664 -9.0570 -9.0570 0.0124 0.0124 0.1741 0.1741 0.5308 0.5308 0.5448 0.5448 0.5556 0.5556 0.8534 0.8534 0.8748 0.8748 0.8862 0.8862 0.8955 0.8955 0.9091 0.9091 1.7832 1.7832 1.9127 1.9127 3.0625 3.0625 3.0763 3.0763 4.9909 4.9909 5.1601 5.1601 7.1592 7.1592 7.1827 7.1827 8.2643 8.2643 8.3026 8.3026 11.9990 11.9990 12.0257 12.0257 12.1659 12.1659 k = 0.3333 0.5774 0.2251 ( 4926 PWs) bands (ev): -27.3434 -27.3434 -27.3432 -27.3432 -10.2139 -10.2139 -10.2129 -10.2129 -9.1085 -9.1085 -9.1068 -9.1068 -9.0641 -9.0641 -9.0593 -9.0593 0.0124 0.0124 0.1741 0.1741 0.5308 0.5308 0.5448 0.5448 0.5556 0.5556 0.8534 0.8534 0.8749 0.8749 0.8862 0.8862 0.8956 0.8956 0.9091 0.9091 1.7832 1.7832 1.9127 1.9127 3.0625 3.0625 3.0763 3.0763 5.0312 5.0312 5.1179 5.1179 7.1637 7.1637 7.1866 7.1866 8.2542 8.2542 8.2932 8.2932 12.0879 12.0879 12.1162 12.1162 12.2227 12.2227 k = 0.3333 0.5774 0.2384 ( 4932 PWs) bands (ev): -27.3433 -27.3433 -27.3433 -27.3433 -10.2134 -10.2134 -10.2134 -10.2134 -9.1077 -9.1077 -9.1076 -9.1076 -9.0618 -9.0618 -9.0617 -9.0617 0.0124 0.0124 0.1741 0.1741 0.5308 0.5308 0.5448 0.5448 0.5556 0.5556 0.8534 0.8534 0.8749 0.8749 0.8862 0.8862 0.8956 0.8956 0.9091 0.9091 1.7832 1.7832 1.9127 1.9127 3.0625 3.0625 3.0763 3.0763 5.0639 5.0639 5.0844 5.0844 7.1652 7.1652 7.1879 7.1879 8.2508 8.2508 8.2900 8.2900 12.1325 12.1325 12.1629 12.1629 12.2530 12.2530 Writing output data file SrZnSi.save init_run : 0.33s CPU 0.52s WALL ( 1 calls) electrons : 223.18s CPU 226.81s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.02s CPU 0.09s WALL ( 1 calls) Called by electrons: c_bands : 223.18s CPU 226.80s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.10s CPU 0.15s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.08s CPU 0.09s WALL ( 297 calls) cegterg : 205.37s CPU 207.73s WALL ( 487 calls) Called by sum_band: Called by *egterg: h_psi : 108.96s CPU 110.80s WALL ( 7772 calls) s_psi : 9.66s CPU 9.65s WALL ( 7772 calls) g_psi : 0.32s CPU 0.30s WALL ( 6988 calls) cdiaghg : 75.64s CPU 76.20s WALL ( 7285 calls) cegterg:over : 9.31s CPU 9.41s WALL ( 6988 calls) cegterg:upda : 8.52s CPU 8.49s WALL ( 6988 calls) cegterg:last : 3.87s CPU 3.98s WALL ( 1153 calls) cdiaghg:chol : 4.17s CPU 4.40s WALL ( 7285 calls) cdiaghg:inve : 3.27s CPU 3.13s WALL ( 7285 calls) cdiaghg:para : 5.32s CPU 5.26s WALL ( 14570 calls) Called by h_psi: h_psi:vloc : 88.12s CPU 89.85s WALL ( 7772 calls) h_psi:vnl : 20.49s CPU 20.63s WALL ( 7772 calls) add_vuspsi : 11.13s CPU 11.23s WALL ( 7772 calls) General routines calbec : 9.34s CPU 9.38s WALL ( 7772 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 82.56s CPU 84.08s WALL ( 912400 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.18s CPU 0.24s WALL ( 594 calls) Parallel routines fft_scatter : 26.77s CPU 27.80s WALL ( 912423 calls) PWSCF : 4m 2.16s CPU 4m52.23s WALL This run was terminated on: 21:20:15 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=