Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 17:30:11 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: ./Zr2TlC.save/ file Tl.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 6S 5D 5D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 25 15 4 2703 1285 202 Max 26 16 5 2724 1314 227 Sum 913 559 163 97613 46751 7671 bravais-lattice index = 14 lattice parameter (alat) = 6.3551 a.u. unit-cell volume = 977.5727 (a.u.)^3 number of atoms/cell = 8 number of atomic types = 3 number of electrons = 50.00 number of Kohn-Sham states= 60 kinetic-energy cutoff = 50.0000 Ry charge density cutoff = 327.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 6.355149 celldm(2)= 1.000000 celldm(3)= 4.397859 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 4.397859 ) 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 0.227383 ) PseudoPot. # 1 for Zr read from file: /users/gautes/Pseudo/Zr.rel-pbe-n-nc.UPF MD5 check sum: 453101d5cee66cf3691e2371f73c5d7d Pseudo is Norm-conserving + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1225 points, 4 beta functions with: l(1) = 1 l(2) = 1 l(3) = 2 l(4) = 2 PseudoPot. # 2 for Tl read from file: /users/gautes/Pseudo/Tl.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: cd969aa200d2b9b89aab382fbbb9d684 Pseudo is Ultrasoft + core correction, Zval = 13.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1281 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 C read from file: /users/gautes/Pseudo/C.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: de79cff2a1a990998107dfc0a7a38bf3 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 1073 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Zr 4.00 91.22400 Zr( 1.00) Tl 13.00 204.38330 Tl( 1.00) C 4.00 12.01070 C( 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 ) ( -2.1989295 ) 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 ) ( 2.1989295 ) 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 ) ( -2.1989295 ) 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 ) ( -2.1989295 ) 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 ) ( 2.1989295 ) 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 ) ( 2.1989295 ) 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 ) ( 2.1989295 ) 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 ) ( -2.1989295 ) 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 ) ( 2.1989295 ) 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 ) ( 2.1989295 ) 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 ) ( -2.1989295 ) 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 ) ( -2.1989295 ) 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= 340 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029412 k( 2) = ( 0.0092593 0.0053458 -0.0000000), wk = 0.0029412 k( 3) = ( 0.0185185 0.0106917 -0.0000000), wk = 0.0029412 k( 4) = ( 0.0277778 0.0160375 -0.0000000), wk = 0.0029412 k( 5) = ( 0.0370370 0.0213833 -0.0000000), wk = 0.0029412 k( 6) = ( 0.0462963 0.0267292 -0.0000000), wk = 0.0029412 k( 7) = ( 0.0555556 0.0320750 -0.0000000), wk = 0.0029412 k( 8) = ( 0.0648148 0.0374208 -0.0000000), wk = 0.0029412 k( 9) = ( 0.0740741 0.0427667 -0.0000000), wk = 0.0029412 k( 10) = ( 0.0833333 0.0481125 -0.0000000), wk = 0.0029412 k( 11) = ( 0.0925926 0.0534584 -0.0000000), wk = 0.0029412 k( 12) = ( 0.1018518 0.0588042 -0.0000000), wk = 0.0029412 k( 13) = ( 0.1111111 0.0641500 -0.0000000), wk = 0.0029412 k( 14) = ( 0.1203704 0.0694959 -0.0000000), wk = 0.0029412 k( 15) = ( 0.1296296 0.0748417 -0.0000000), wk = 0.0029412 k( 16) = ( 0.1388889 0.0801875 -0.0000000), wk = 0.0029412 k( 17) = ( 0.1481482 0.0855334 -0.0000000), wk = 0.0029412 k( 18) = ( 0.1574074 0.0908792 -0.0000000), wk = 0.0029412 k( 19) = ( 0.1666667 0.0962250 -0.0000000), wk = 0.0029412 k( 20) = ( 0.1759259 0.1015709 -0.0000000), wk = 0.0029412 k( 21) = ( 0.1851852 0.1069167 -0.0000000), wk = 0.0029412 k( 22) = ( 0.1944444 0.1122625 -0.0000000), wk = 0.0029412 k( 23) = ( 0.2037037 0.1176084 -0.0000000), wk = 0.0029412 k( 24) = ( 0.2129630 0.1229542 -0.0000000), wk = 0.0029412 k( 25) = ( 0.2222222 0.1283001 -0.0000000), wk = 0.0029412 k( 26) = ( 0.2314815 0.1336459 -0.0000000), wk = 0.0029412 k( 27) = ( 0.2407407 0.1389917 -0.0000000), wk = 0.0029412 k( 28) = ( 0.2500000 0.1443376 -0.0000000), wk = 0.0029412 k( 29) = ( 0.2592593 0.1496834 -0.0000000), wk = 0.0029412 k( 30) = ( 0.2685185 0.1550292 -0.0000000), wk = 0.0029412 k( 31) = ( 0.2777778 0.1603751 -0.0000000), wk = 0.0029412 k( 32) = ( 0.2870370 0.1657209 -0.0000000), wk = 0.0029412 k( 33) = ( 0.2962963 0.1710667 -0.0000000), wk = 0.0029412 k( 34) = ( 0.3055556 0.1764126 -0.0000000), wk = 0.0029412 k( 35) = ( 0.3148148 0.1817584 -0.0000000), wk = 0.0029412 k( 36) = ( 0.3240741 0.1871043 -0.0000000), wk = 0.0029412 k( 37) = ( 0.3333333 0.1924501 -0.0000000), wk = 0.0029412 k( 38) = ( 0.3425926 0.1977959 -0.0000000), wk = 0.0029412 k( 39) = ( 0.3518519 0.2031418 -0.0000000), wk = 0.0029412 k( 40) = ( 0.3611111 0.2084876 -0.0000000), wk = 0.0029412 k( 41) = ( 0.3703704 0.2138334 -0.0000000), wk = 0.0029412 k( 42) = ( 0.3796296 0.2191793 -0.0000000), wk = 0.0029412 k( 43) = ( 0.3888889 0.2245251 -0.0000000), wk = 0.0029412 k( 44) = ( 0.3981481 0.2298709 -0.0000000), wk = 0.0029412 k( 45) = ( 0.4074074 0.2352168 -0.0000000), wk = 0.0029412 k( 46) = ( 0.4166667 0.2405626 -0.0000000), wk = 0.0029412 k( 47) = ( 0.4259259 0.2459085 -0.0000000), wk = 0.0029412 k( 48) = ( 0.4351852 0.2512543 -0.0000000), wk = 0.0029412 k( 49) = ( 0.4444444 0.2566001 -0.0000000), wk = 0.0029412 k( 50) = ( 0.4537037 0.2619460 -0.0000000), wk = 0.0029412 k( 51) = ( 0.4629630 0.2672918 -0.0000000), wk = 0.0029412 k( 52) = ( 0.4722222 0.2726376 -0.0000000), wk = 0.0029412 k( 53) = ( 0.4814815 0.2779835 -0.0000000), wk = 0.0029412 k( 54) = ( 0.4907407 0.2833293 -0.0000000), wk = 0.0029412 k( 55) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0029412 k( 56) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0029412 k( 57) = ( 0.4947917 0.2976962 -0.0000000), wk = 0.0029412 k( 58) = ( 0.4895833 0.3067173 -0.0000000), wk = 0.0029412 k( 59) = ( 0.4843750 0.3157384 -0.0000000), wk = 0.0029412 k( 60) = ( 0.4791667 0.3247595 -0.0000000), wk = 0.0029412 k( 61) = ( 0.4739583 0.3337806 -0.0000000), wk = 0.0029412 k( 62) = ( 0.4687500 0.3428017 -0.0000000), wk = 0.0029412 k( 63) = ( 0.4635417 0.3518228 -0.0000000), wk = 0.0029412 k( 64) = ( 0.4583333 0.3608439 -0.0000000), wk = 0.0029412 k( 65) = ( 0.4531250 0.3698650 -0.0000000), wk = 0.0029412 k( 66) = ( 0.4479167 0.3788861 -0.0000000), wk = 0.0029412 k( 67) = ( 0.4427083 0.3879072 -0.0000000), wk = 0.0029412 k( 68) = ( 0.4375000 0.3969283 -0.0000000), wk = 0.0029412 k( 69) = ( 0.4322917 0.4059494 -0.0000000), wk = 0.0029412 k( 70) = ( 0.4270833 0.4149705 -0.0000000), wk = 0.0029412 k( 71) = ( 0.4218750 0.4239916 -0.0000000), wk = 0.0029412 k( 72) = ( 0.4166667 0.4330127 -0.0000000), wk = 0.0029412 k( 73) = ( 0.4114583 0.4420338 -0.0000000), wk = 0.0029412 k( 74) = ( 0.4062500 0.4510549 -0.0000000), wk = 0.0029412 k( 75) = ( 0.4010417 0.4600760 -0.0000000), wk = 0.0029412 k( 76) = ( 0.3958333 0.4690971 -0.0000000), wk = 0.0029412 k( 77) = ( 0.3906250 0.4781182 -0.0000000), wk = 0.0029412 k( 78) = ( 0.3854167 0.4871393 -0.0000000), wk = 0.0029412 k( 79) = ( 0.3802083 0.4961604 -0.0000000), wk = 0.0029412 k( 80) = ( 0.3750000 0.5051815 -0.0000000), wk = 0.0029412 k( 81) = ( 0.3697917 0.5142026 -0.0000000), wk = 0.0029412 k( 82) = ( 0.3645833 0.5232237 -0.0000000), wk = 0.0029412 k( 83) = ( 0.3593750 0.5322448 -0.0000000), wk = 0.0029412 k( 84) = ( 0.3541667 0.5412659 -0.0000000), wk = 0.0029412 k( 85) = ( 0.3489583 0.5502870 -0.0000000), wk = 0.0029412 k( 86) = ( 0.3437500 0.5593081 -0.0000000), wk = 0.0029412 k( 87) = ( 0.3385417 0.5683292 -0.0000000), wk = 0.0029412 k( 88) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0029412 k( 89) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0029412 k( 90) = ( 0.3280423 0.5681860 -0.0000000), wk = 0.0029412 k( 91) = ( 0.3227513 0.5590217 -0.0000000), wk = 0.0029412 k( 92) = ( 0.3174603 0.5498574 -0.0000000), wk = 0.0029412 k( 93) = ( 0.3121693 0.5406931 -0.0000000), wk = 0.0029412 k( 94) = ( 0.3068783 0.5315288 -0.0000000), wk = 0.0029412 k( 95) = ( 0.3015873 0.5223645 -0.0000000), wk = 0.0029412 k( 96) = ( 0.2962963 0.5132002 -0.0000000), wk = 0.0029412 k( 97) = ( 0.2910053 0.5040359 -0.0000000), wk = 0.0029412 k( 98) = ( 0.2857143 0.4948717 -0.0000000), wk = 0.0029412 k( 99) = ( 0.2804233 0.4857074 -0.0000000), wk = 0.0029412 k( 100) = ( 0.2751323 0.4765431 -0.0000000), wk = 0.0029412 k( 101) = ( 0.2698413 0.4673788 -0.0000000), wk = 0.0029412 k( 102) = ( 0.2645503 0.4582145 -0.0000000), wk = 0.0029412 k( 103) = ( 0.2592593 0.4490502 -0.0000000), wk = 0.0029412 k( 104) = ( 0.2539683 0.4398859 -0.0000000), wk = 0.0029412 k( 105) = ( 0.2486772 0.4307216 -0.0000000), wk = 0.0029412 k( 106) = ( 0.2433862 0.4215573 -0.0000000), wk = 0.0029412 k( 107) = ( 0.2380952 0.4123931 -0.0000000), wk = 0.0029412 k( 108) = ( 0.2328042 0.4032288 -0.0000000), wk = 0.0029412 k( 109) = ( 0.2275132 0.3940645 -0.0000000), wk = 0.0029412 k( 110) = ( 0.2222222 0.3849002 -0.0000000), wk = 0.0029412 k( 111) = ( 0.2169312 0.3757359 -0.0000000), wk = 0.0029412 k( 112) = ( 0.2116402 0.3665716 -0.0000000), wk = 0.0029412 k( 113) = ( 0.2063492 0.3574073 -0.0000000), wk = 0.0029412 k( 114) = ( 0.2010582 0.3482430 -0.0000000), wk = 0.0029412 k( 115) = ( 0.1957672 0.3390787 -0.0000000), wk = 0.0029412 k( 116) = ( 0.1904762 0.3299144 -0.0000000), wk = 0.0029412 k( 117) = ( 0.1851852 0.3207502 -0.0000000), wk = 0.0029412 k( 118) = ( 0.1798942 0.3115859 -0.0000000), wk = 0.0029412 k( 119) = ( 0.1746032 0.3024216 -0.0000000), wk = 0.0029412 k( 120) = ( 0.1693122 0.2932573 -0.0000000), wk = 0.0029412 k( 121) = ( 0.1640212 0.2840930 -0.0000000), wk = 0.0029412 k( 122) = ( 0.1587302 0.2749287 -0.0000000), wk = 0.0029412 k( 123) = ( 0.1534391 0.2657644 -0.0000000), wk = 0.0029412 k( 124) = ( 0.1481482 0.2566001 -0.0000000), wk = 0.0029412 k( 125) = ( 0.1428571 0.2474358 -0.0000000), wk = 0.0029412 k( 126) = ( 0.1375661 0.2382715 -0.0000000), wk = 0.0029412 k( 127) = ( 0.1322751 0.2291072 -0.0000000), wk = 0.0029412 k( 128) = ( 0.1269841 0.2199430 -0.0000000), wk = 0.0029412 k( 129) = ( 0.1216931 0.2107787 -0.0000000), wk = 0.0029412 k( 130) = ( 0.1164021 0.2016144 -0.0000000), wk = 0.0029412 k( 131) = ( 0.1111111 0.1924501 -0.0000000), wk = 0.0029412 k( 132) = ( 0.1058201 0.1832858 -0.0000000), wk = 0.0029412 k( 133) = ( 0.1005291 0.1741215 -0.0000000), wk = 0.0029412 k( 134) = ( 0.0952381 0.1649572 -0.0000000), wk = 0.0029412 k( 135) = ( 0.0899471 0.1557929 -0.0000000), wk = 0.0029412 k( 136) = ( 0.0846561 0.1466286 -0.0000000), wk = 0.0029412 k( 137) = ( 0.0793651 0.1374644 -0.0000000), wk = 0.0029412 k( 138) = ( 0.0740741 0.1283001 -0.0000000), wk = 0.0029412 k( 139) = ( 0.0687831 0.1191358 -0.0000000), wk = 0.0029412 k( 140) = ( 0.0634921 0.1099715 -0.0000000), wk = 0.0029412 k( 141) = ( 0.0582011 0.1008072 -0.0000000), wk = 0.0029412 k( 142) = ( 0.0529101 0.0916429 -0.0000000), wk = 0.0029412 k( 143) = ( 0.0476191 0.0824786 -0.0000000), wk = 0.0029412 k( 144) = ( 0.0423280 0.0733143 -0.0000000), wk = 0.0029412 k( 145) = ( 0.0370370 0.0641500 -0.0000000), wk = 0.0029412 k( 146) = ( 0.0317460 0.0549857 -0.0000000), wk = 0.0029412 k( 147) = ( 0.0264550 0.0458215 -0.0000000), wk = 0.0029412 k( 148) = ( 0.0211640 0.0366572 -0.0000000), wk = 0.0029412 k( 149) = ( 0.0158730 0.0274929 -0.0000000), wk = 0.0029412 k( 150) = ( 0.0105820 0.0183286 -0.0000000), wk = 0.0029412 k( 151) = ( 0.0052910 0.0091643 -0.0000000), wk = 0.0029412 k( 152) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029412 k( 153) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029412 k( 154) = ( 0.0000000 0.0000000 0.0103356), wk = 0.0029412 k( 155) = ( 0.0000000 0.0000000 0.0206712), wk = 0.0029412 k( 156) = ( 0.0000000 0.0000000 0.0310068), wk = 0.0029412 k( 157) = ( 0.0000000 0.0000000 0.0413424), wk = 0.0029412 k( 158) = ( 0.0000000 0.0000000 0.0516780), wk = 0.0029412 k( 159) = ( 0.0000000 0.0000000 0.0620136), wk = 0.0029412 k( 160) = ( 0.0000000 0.0000000 0.0723493), wk = 0.0029412 k( 161) = ( 0.0000000 0.0000000 0.0826849), wk = 0.0029412 k( 162) = ( 0.0000000 0.0000000 0.0930205), wk = 0.0029412 k( 163) = ( 0.0000000 0.0000000 0.1033561), wk = 0.0029412 k( 164) = ( 0.0000000 0.0000000 0.1136917), wk = 0.0029412 k( 165) = ( 0.0000000 0.0000000 0.1136917), wk = 0.0029412 k( 166) = ( 0.0092593 0.0053458 0.1136917), wk = 0.0029412 k( 167) = ( 0.0185185 0.0106917 0.1136917), wk = 0.0029412 k( 168) = ( 0.0277778 0.0160375 0.1136917), wk = 0.0029412 k( 169) = ( 0.0370370 0.0213833 0.1136917), wk = 0.0029412 k( 170) = ( 0.0462963 0.0267292 0.1136917), wk = 0.0029412 k( 171) = ( 0.0555556 0.0320750 0.1136917), wk = 0.0029412 k( 172) = ( 0.0648148 0.0374208 0.1136917), wk = 0.0029412 k( 173) = ( 0.0740741 0.0427667 0.1136917), wk = 0.0029412 k( 174) = ( 0.0833333 0.0481125 0.1136917), wk = 0.0029412 k( 175) = ( 0.0925926 0.0534584 0.1136917), wk = 0.0029412 k( 176) = ( 0.1018518 0.0588042 0.1136917), wk = 0.0029412 k( 177) = ( 0.1111111 0.0641500 0.1136917), wk = 0.0029412 k( 178) = ( 0.1203704 0.0694959 0.1136917), wk = 0.0029412 k( 179) = ( 0.1296296 0.0748417 0.1136917), wk = 0.0029412 k( 180) = ( 0.1388889 0.0801875 0.1136917), wk = 0.0029412 k( 181) = ( 0.1481482 0.0855334 0.1136917), wk = 0.0029412 k( 182) = ( 0.1574074 0.0908792 0.1136917), wk = 0.0029412 k( 183) = ( 0.1666667 0.0962250 0.1136917), wk = 0.0029412 k( 184) = ( 0.1759259 0.1015709 0.1136917), wk = 0.0029412 k( 185) = ( 0.1851852 0.1069167 0.1136917), wk = 0.0029412 k( 186) = ( 0.1944444 0.1122625 0.1136917), wk = 0.0029412 k( 187) = ( 0.2037037 0.1176084 0.1136917), wk = 0.0029412 k( 188) = ( 0.2129630 0.1229542 0.1136917), wk = 0.0029412 k( 189) = ( 0.2222222 0.1283001 0.1136917), wk = 0.0029412 k( 190) = ( 0.2314815 0.1336459 0.1136917), wk = 0.0029412 k( 191) = ( 0.2407407 0.1389917 0.1136917), wk = 0.0029412 k( 192) = ( 0.2500000 0.1443376 0.1136917), wk = 0.0029412 k( 193) = ( 0.2592593 0.1496834 0.1136917), wk = 0.0029412 k( 194) = ( 0.2685185 0.1550292 0.1136917), wk = 0.0029412 k( 195) = ( 0.2777778 0.1603751 0.1136917), wk = 0.0029412 k( 196) = ( 0.2870370 0.1657209 0.1136917), wk = 0.0029412 k( 197) = ( 0.2962963 0.1710667 0.1136917), wk = 0.0029412 k( 198) = ( 0.3055556 0.1764126 0.1136917), wk = 0.0029412 k( 199) = ( 0.3148148 0.1817584 0.1136917), wk = 0.0029412 k( 200) = ( 0.3240741 0.1871043 0.1136917), wk = 0.0029412 k( 201) = ( 0.3333333 0.1924501 0.1136917), wk = 0.0029412 k( 202) = ( 0.3425926 0.1977959 0.1136917), wk = 0.0029412 k( 203) = ( 0.3518519 0.2031418 0.1136917), wk = 0.0029412 k( 204) = ( 0.3611111 0.2084876 0.1136917), wk = 0.0029412 k( 205) = ( 0.3703704 0.2138334 0.1136917), wk = 0.0029412 k( 206) = ( 0.3796296 0.2191793 0.1136917), wk = 0.0029412 k( 207) = ( 0.3888889 0.2245251 0.1136917), wk = 0.0029412 k( 208) = ( 0.3981481 0.2298709 0.1136917), wk = 0.0029412 k( 209) = ( 0.4074074 0.2352168 0.1136917), wk = 0.0029412 k( 210) = ( 0.4166667 0.2405626 0.1136917), wk = 0.0029412 k( 211) = ( 0.4259259 0.2459085 0.1136917), wk = 0.0029412 k( 212) = ( 0.4351852 0.2512543 0.1136917), wk = 0.0029412 k( 213) = ( 0.4444444 0.2566001 0.1136917), wk = 0.0029412 k( 214) = ( 0.4537037 0.2619460 0.1136917), wk = 0.0029412 k( 215) = ( 0.4629630 0.2672918 0.1136917), wk = 0.0029412 k( 216) = ( 0.4722222 0.2726376 0.1136917), wk = 0.0029412 k( 217) = ( 0.4814815 0.2779835 0.1136917), wk = 0.0029412 k( 218) = ( 0.4907407 0.2833293 0.1136917), wk = 0.0029412 k( 219) = ( 0.5000000 0.2886751 0.1136917), wk = 0.0029412 k( 220) = ( 0.5000000 0.2886751 0.1136917), wk = 0.0029412 k( 221) = ( 0.4947917 0.2976962 0.1136917), wk = 0.0029412 k( 222) = ( 0.4895833 0.3067173 0.1136917), wk = 0.0029412 k( 223) = ( 0.4843750 0.3157384 0.1136917), wk = 0.0029412 k( 224) = ( 0.4791667 0.3247595 0.1136917), wk = 0.0029412 k( 225) = ( 0.4739583 0.3337806 0.1136917), wk = 0.0029412 k( 226) = ( 0.4687500 0.3428017 0.1136917), wk = 0.0029412 k( 227) = ( 0.4635417 0.3518228 0.1136917), wk = 0.0029412 k( 228) = ( 0.4583333 0.3608439 0.1136917), wk = 0.0029412 k( 229) = ( 0.4531250 0.3698650 0.1136917), wk = 0.0029412 k( 230) = ( 0.4479167 0.3788861 0.1136917), wk = 0.0029412 k( 231) = ( 0.4427083 0.3879072 0.1136917), wk = 0.0029412 k( 232) = ( 0.4375000 0.3969283 0.1136917), wk = 0.0029412 k( 233) = ( 0.4322917 0.4059494 0.1136917), wk = 0.0029412 k( 234) = ( 0.4270833 0.4149705 0.1136917), wk = 0.0029412 k( 235) = ( 0.4218750 0.4239916 0.1136917), wk = 0.0029412 k( 236) = ( 0.4166667 0.4330127 0.1136917), wk = 0.0029412 k( 237) = ( 0.4114583 0.4420338 0.1136917), wk = 0.0029412 k( 238) = ( 0.4062500 0.4510549 0.1136917), wk = 0.0029412 k( 239) = ( 0.4010417 0.4600760 0.1136917), wk = 0.0029412 k( 240) = ( 0.3958333 0.4690971 0.1136917), wk = 0.0029412 k( 241) = ( 0.3906250 0.4781182 0.1136917), wk = 0.0029412 k( 242) = ( 0.3854167 0.4871393 0.1136917), wk = 0.0029412 k( 243) = ( 0.3802083 0.4961604 0.1136917), wk = 0.0029412 k( 244) = ( 0.3750000 0.5051815 0.1136917), wk = 0.0029412 k( 245) = ( 0.3697917 0.5142026 0.1136917), wk = 0.0029412 k( 246) = ( 0.3645833 0.5232237 0.1136917), wk = 0.0029412 k( 247) = ( 0.3593750 0.5322448 0.1136917), wk = 0.0029412 k( 248) = ( 0.3541667 0.5412659 0.1136917), wk = 0.0029412 k( 249) = ( 0.3489583 0.5502870 0.1136917), wk = 0.0029412 k( 250) = ( 0.3437500 0.5593081 0.1136917), wk = 0.0029412 k( 251) = ( 0.3385417 0.5683292 0.1136917), wk = 0.0029412 k( 252) = ( 0.3333333 0.5773503 0.1136917), wk = 0.0029412 k( 253) = ( 0.3333333 0.5773503 0.1136917), wk = 0.0029412 k( 254) = ( 0.3280423 0.5681860 0.1136917), wk = 0.0029412 k( 255) = ( 0.3227513 0.5590217 0.1136917), wk = 0.0029412 k( 256) = ( 0.3174603 0.5498574 0.1136917), wk = 0.0029412 k( 257) = ( 0.3121693 0.5406931 0.1136917), wk = 0.0029412 k( 258) = ( 0.3068783 0.5315288 0.1136917), wk = 0.0029412 k( 259) = ( 0.3015873 0.5223645 0.1136917), wk = 0.0029412 k( 260) = ( 0.2962963 0.5132002 0.1136917), wk = 0.0029412 k( 261) = ( 0.2910053 0.5040359 0.1136917), wk = 0.0029412 k( 262) = ( 0.2857143 0.4948717 0.1136917), wk = 0.0029412 k( 263) = ( 0.2804233 0.4857074 0.1136917), wk = 0.0029412 k( 264) = ( 0.2751323 0.4765431 0.1136917), wk = 0.0029412 k( 265) = ( 0.2698413 0.4673788 0.1136917), wk = 0.0029412 k( 266) = ( 0.2645503 0.4582145 0.1136917), wk = 0.0029412 k( 267) = ( 0.2592593 0.4490502 0.1136917), wk = 0.0029412 k( 268) = ( 0.2539683 0.4398859 0.1136917), wk = 0.0029412 k( 269) = ( 0.2486772 0.4307216 0.1136917), wk = 0.0029412 k( 270) = ( 0.2433862 0.4215573 0.1136917), wk = 0.0029412 k( 271) = ( 0.2380952 0.4123931 0.1136917), wk = 0.0029412 k( 272) = ( 0.2328042 0.4032288 0.1136917), wk = 0.0029412 k( 273) = ( 0.2275132 0.3940645 0.1136917), wk = 0.0029412 k( 274) = ( 0.2222222 0.3849002 0.1136917), wk = 0.0029412 k( 275) = ( 0.2169312 0.3757359 0.1136917), wk = 0.0029412 k( 276) = ( 0.2116402 0.3665716 0.1136917), wk = 0.0029412 k( 277) = ( 0.2063492 0.3574073 0.1136917), wk = 0.0029412 k( 278) = ( 0.2010582 0.3482430 0.1136917), wk = 0.0029412 k( 279) = ( 0.1957672 0.3390787 0.1136917), wk = 0.0029412 k( 280) = ( 0.1904762 0.3299144 0.1136917), wk = 0.0029412 k( 281) = ( 0.1851852 0.3207502 0.1136917), wk = 0.0029412 k( 282) = ( 0.1798942 0.3115859 0.1136917), wk = 0.0029412 k( 283) = ( 0.1746032 0.3024216 0.1136917), wk = 0.0029412 k( 284) = ( 0.1693122 0.2932573 0.1136917), wk = 0.0029412 k( 285) = ( 0.1640212 0.2840930 0.1136917), wk = 0.0029412 k( 286) = ( 0.1587302 0.2749287 0.1136917), wk = 0.0029412 k( 287) = ( 0.1534391 0.2657644 0.1136917), wk = 0.0029412 k( 288) = ( 0.1481482 0.2566001 0.1136917), wk = 0.0029412 k( 289) = ( 0.1428571 0.2474358 0.1136917), wk = 0.0029412 k( 290) = ( 0.1375661 0.2382715 0.1136917), wk = 0.0029412 k( 291) = ( 0.1322751 0.2291072 0.1136917), wk = 0.0029412 k( 292) = ( 0.1269841 0.2199430 0.1136917), wk = 0.0029412 k( 293) = ( 0.1216931 0.2107787 0.1136917), wk = 0.0029412 k( 294) = ( 0.1164021 0.2016144 0.1136917), wk = 0.0029412 k( 295) = ( 0.1111111 0.1924501 0.1136917), wk = 0.0029412 k( 296) = ( 0.1058201 0.1832858 0.1136917), wk = 0.0029412 k( 297) = ( 0.1005291 0.1741215 0.1136917), wk = 0.0029412 k( 298) = ( 0.0952381 0.1649572 0.1136917), wk = 0.0029412 k( 299) = ( 0.0899471 0.1557929 0.1136917), wk = 0.0029412 k( 300) = ( 0.0846561 0.1466286 0.1136917), wk = 0.0029412 k( 301) = ( 0.0793651 0.1374644 0.1136917), wk = 0.0029412 k( 302) = ( 0.0740741 0.1283001 0.1136917), wk = 0.0029412 k( 303) = ( 0.0687831 0.1191358 0.1136917), wk = 0.0029412 k( 304) = ( 0.0634921 0.1099715 0.1136917), wk = 0.0029412 k( 305) = ( 0.0582011 0.1008072 0.1136917), wk = 0.0029412 k( 306) = ( 0.0529101 0.0916429 0.1136917), wk = 0.0029412 k( 307) = ( 0.0476191 0.0824786 0.1136917), wk = 0.0029412 k( 308) = ( 0.0423280 0.0733143 0.1136917), wk = 0.0029412 k( 309) = ( 0.0370370 0.0641500 0.1136917), wk = 0.0029412 k( 310) = ( 0.0317460 0.0549857 0.1136917), wk = 0.0029412 k( 311) = ( 0.0264550 0.0458215 0.1136917), wk = 0.0029412 k( 312) = ( 0.0211640 0.0366572 0.1136917), wk = 0.0029412 k( 313) = ( 0.0158730 0.0274929 0.1136917), wk = 0.0029412 k( 314) = ( 0.0105820 0.0183286 0.1136917), wk = 0.0029412 k( 315) = ( 0.0052910 0.0091643 0.1136917), wk = 0.0029412 k( 316) = ( 0.0000000 0.0000000 0.1136917), wk = 0.0029412 k( 317) = ( 0.5000000 0.2886751 0.1136917), wk = 0.0029412 k( 318) = ( 0.5000000 0.2886751 0.1033561), wk = 0.0029412 k( 319) = ( 0.5000000 0.2886751 0.0930205), wk = 0.0029412 k( 320) = ( 0.5000000 0.2886751 0.0826849), wk = 0.0029412 k( 321) = ( 0.5000000 0.2886751 0.0723493), wk = 0.0029412 k( 322) = ( 0.5000000 0.2886751 0.0620136), wk = 0.0029412 k( 323) = ( 0.5000000 0.2886751 0.0516780), wk = 0.0029412 k( 324) = ( 0.5000000 0.2886751 0.0413424), wk = 0.0029412 k( 325) = ( 0.5000000 0.2886751 0.0310068), wk = 0.0029412 k( 326) = ( 0.5000000 0.2886751 0.0206712), wk = 0.0029412 k( 327) = ( 0.5000000 0.2886751 0.0103356), wk = 0.0029412 k( 328) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0029412 k( 329) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0029412 k( 330) = ( 0.3333333 0.5773503 0.0103356), wk = 0.0029412 k( 331) = ( 0.3333333 0.5773503 0.0206712), wk = 0.0029412 k( 332) = ( 0.3333333 0.5773503 0.0310068), wk = 0.0029412 k( 333) = ( 0.3333333 0.5773503 0.0413424), wk = 0.0029412 k( 334) = ( 0.3333333 0.5773503 0.0516780), wk = 0.0029412 k( 335) = ( 0.3333333 0.5773503 0.0620136), wk = 0.0029412 k( 336) = ( 0.3333333 0.5773503 0.0723493), wk = 0.0029412 k( 337) = ( 0.3333333 0.5773503 0.0826849), wk = 0.0029412 k( 338) = ( 0.3333333 0.5773503 0.0930205), wk = 0.0029412 k( 339) = ( 0.3333333 0.5773503 0.1033561), wk = 0.0029412 k( 340) = ( 0.3333333 0.5773503 0.1136917), wk = 0.0029412 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029412 k( 2) = ( 0.0092593 -0.0000000 0.0000000), wk = 0.0029412 k( 3) = ( 0.0185185 -0.0000000 0.0000000), wk = 0.0029412 k( 4) = ( 0.0277778 0.0000000 0.0000000), wk = 0.0029412 k( 5) = ( 0.0370370 -0.0000000 0.0000000), wk = 0.0029412 k( 6) = ( 0.0462963 0.0000000 0.0000000), wk = 0.0029412 k( 7) = ( 0.0555556 0.0000000 0.0000000), wk = 0.0029412 k( 8) = ( 0.0648148 -0.0000000 0.0000000), wk = 0.0029412 k( 9) = ( 0.0740741 -0.0000000 0.0000000), wk = 0.0029412 k( 10) = ( 0.0833333 0.0000000 0.0000000), wk = 0.0029412 k( 11) = ( 0.0925926 0.0000000 -0.0000000), wk = 0.0029412 k( 12) = ( 0.1018518 0.0000000 0.0000000), wk = 0.0029412 k( 13) = ( 0.1111111 0.0000000 0.0000000), wk = 0.0029412 k( 14) = ( 0.1203704 0.0000000 0.0000000), wk = 0.0029412 k( 15) = ( 0.1296296 -0.0000000 0.0000000), wk = 0.0029412 k( 16) = ( 0.1388889 -0.0000000 0.0000000), wk = 0.0029412 k( 17) = ( 0.1481482 -0.0000000 0.0000000), wk = 0.0029412 k( 18) = ( 0.1574074 0.0000000 0.0000000), wk = 0.0029412 k( 19) = ( 0.1666667 0.0000000 0.0000000), wk = 0.0029412 k( 20) = ( 0.1759259 0.0000000 0.0000000), wk = 0.0029412 k( 21) = ( 0.1851852 0.0000000 0.0000000), wk = 0.0029412 k( 22) = ( 0.1944444 0.0000000 -0.0000000), wk = 0.0029412 k( 23) = ( 0.2037037 0.0000000 0.0000000), wk = 0.0029412 k( 24) = ( 0.2129630 0.0000000 0.0000000), wk = 0.0029412 k( 25) = ( 0.2222222 0.0000000 0.0000000), wk = 0.0029412 k( 26) = ( 0.2314815 -0.0000000 -0.0000000), wk = 0.0029412 k( 27) = ( 0.2407407 0.0000000 0.0000000), wk = 0.0029412 k( 28) = ( 0.2500000 0.0000000 0.0000000), wk = 0.0029412 k( 29) = ( 0.2592593 -0.0000000 0.0000000), wk = 0.0029412 k( 30) = ( 0.2685185 -0.0000000 0.0000000), wk = 0.0029412 k( 31) = ( 0.2777778 -0.0000000 0.0000000), wk = 0.0029412 k( 32) = ( 0.2870370 -0.0000000 0.0000000), wk = 0.0029412 k( 33) = ( 0.2962963 -0.0000000 0.0000000), wk = 0.0029412 k( 34) = ( 0.3055556 -0.0000000 -0.0000000), wk = 0.0029412 k( 35) = ( 0.3148148 -0.0000000 0.0000000), wk = 0.0029412 k( 36) = ( 0.3240741 0.0000000 0.0000000), wk = 0.0029412 k( 37) = ( 0.3333333 -0.0000000 0.0000000), wk = 0.0029412 k( 38) = ( 0.3425926 0.0000000 0.0000000), wk = 0.0029412 k( 39) = ( 0.3518519 -0.0000000 0.0000000), wk = 0.0029412 k( 40) = ( 0.3611111 0.0000000 0.0000000), wk = 0.0029412 k( 41) = ( 0.3703704 -0.0000000 0.0000000), wk = 0.0029412 k( 42) = ( 0.3796296 0.0000000 -0.0000000), wk = 0.0029412 k( 43) = ( 0.3888889 -0.0000000 0.0000000), wk = 0.0029412 k( 44) = ( 0.3981481 0.0000000 -0.0000000), wk = 0.0029412 k( 45) = ( 0.4074074 -0.0000000 0.0000000), wk = 0.0029412 k( 46) = ( 0.4166667 0.0000000 -0.0000000), wk = 0.0029412 k( 47) = ( 0.4259259 -0.0000000 0.0000000), wk = 0.0029412 k( 48) = ( 0.4351852 0.0000000 0.0000000), wk = 0.0029412 k( 49) = ( 0.4444444 0.0000000 0.0000000), wk = 0.0029412 k( 50) = ( 0.4537037 -0.0000000 -0.0000000), wk = 0.0029412 k( 51) = ( 0.4629630 -0.0000000 -0.0000000), wk = 0.0029412 k( 52) = ( 0.4722222 -0.0000000 -0.0000000), wk = 0.0029412 k( 53) = ( 0.4814815 0.0000000 0.0000000), wk = 0.0029412 k( 54) = ( 0.4907407 0.0000000 -0.0000000), wk = 0.0029412 k( 55) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0029412 k( 56) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0029412 k( 57) = ( 0.4947917 0.0104167 -0.0000000), wk = 0.0029412 k( 58) = ( 0.4895833 0.0208333 0.0000000), wk = 0.0029412 k( 59) = ( 0.4843750 0.0312500 0.0000000), wk = 0.0029412 k( 60) = ( 0.4791667 0.0416667 0.0000000), wk = 0.0029412 k( 61) = ( 0.4739583 0.0520833 0.0000000), wk = 0.0029412 k( 62) = ( 0.4687500 0.0625000 -0.0000000), wk = 0.0029412 k( 63) = ( 0.4635417 0.0729167 -0.0000000), wk = 0.0029412 k( 64) = ( 0.4583333 0.0833333 0.0000000), wk = 0.0029412 k( 65) = ( 0.4531250 0.0937500 0.0000000), wk = 0.0029412 k( 66) = ( 0.4479167 0.1041667 -0.0000000), wk = 0.0029412 k( 67) = ( 0.4427083 0.1145833 0.0000000), wk = 0.0029412 k( 68) = ( 0.4375000 0.1250000 -0.0000000), wk = 0.0029412 k( 69) = ( 0.4322917 0.1354167 0.0000000), wk = 0.0029412 k( 70) = ( 0.4270833 0.1458333 -0.0000000), wk = 0.0029412 k( 71) = ( 0.4218750 0.1562500 0.0000000), wk = 0.0029412 k( 72) = ( 0.4166667 0.1666667 0.0000000), wk = 0.0029412 k( 73) = ( 0.4114583 0.1770833 0.0000000), wk = 0.0029412 k( 74) = ( 0.4062500 0.1875000 -0.0000000), wk = 0.0029412 k( 75) = ( 0.4010417 0.1979167 0.0000000), wk = 0.0029412 k( 76) = ( 0.3958333 0.2083333 0.0000000), wk = 0.0029412 k( 77) = ( 0.3906250 0.2187500 -0.0000000), wk = 0.0029412 k( 78) = ( 0.3854167 0.2291667 0.0000000), wk = 0.0029412 k( 79) = ( 0.3802083 0.2395833 0.0000000), wk = 0.0029412 k( 80) = ( 0.3750000 0.2500000 0.0000000), wk = 0.0029412 k( 81) = ( 0.3697917 0.2604167 0.0000000), wk = 0.0029412 k( 82) = ( 0.3645833 0.2708333 0.0000000), wk = 0.0029412 k( 83) = ( 0.3593750 0.2812500 -0.0000000), wk = 0.0029412 k( 84) = ( 0.3541667 0.2916667 0.0000000), wk = 0.0029412 k( 85) = ( 0.3489583 0.3020833 -0.0000000), wk = 0.0029412 k( 86) = ( 0.3437500 0.3125000 -0.0000000), wk = 0.0029412 k( 87) = ( 0.3385417 0.3229167 -0.0000000), wk = 0.0029412 k( 88) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0029412 k( 89) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0029412 k( 90) = ( 0.3280423 0.3280423 0.0000000), wk = 0.0029412 k( 91) = ( 0.3227513 0.3227513 0.0000000), wk = 0.0029412 k( 92) = ( 0.3174603 0.3174603 0.0000000), wk = 0.0029412 k( 93) = ( 0.3121693 0.3121693 0.0000000), wk = 0.0029412 k( 94) = ( 0.3068783 0.3068783 0.0000000), wk = 0.0029412 k( 95) = ( 0.3015873 0.3015873 0.0000000), wk = 0.0029412 k( 96) = ( 0.2962963 0.2962963 0.0000000), wk = 0.0029412 k( 97) = ( 0.2910053 0.2910053 0.0000000), wk = 0.0029412 k( 98) = ( 0.2857143 0.2857143 0.0000000), wk = 0.0029412 k( 99) = ( 0.2804233 0.2804233 0.0000000), wk = 0.0029412 k( 100) = ( 0.2751323 0.2751323 0.0000000), wk = 0.0029412 k( 101) = ( 0.2698413 0.2698413 0.0000000), wk = 0.0029412 k( 102) = ( 0.2645503 0.2645503 -0.0000000), wk = 0.0029412 k( 103) = ( 0.2592593 0.2592593 0.0000000), wk = 0.0029412 k( 104) = ( 0.2539683 0.2539683 -0.0000000), wk = 0.0029412 k( 105) = ( 0.2486772 0.2486772 0.0000000), wk = 0.0029412 k( 106) = ( 0.2433862 0.2433862 0.0000000), wk = 0.0029412 k( 107) = ( 0.2380952 0.2380952 -0.0000000), wk = 0.0029412 k( 108) = ( 0.2328042 0.2328042 0.0000000), wk = 0.0029412 k( 109) = ( 0.2275132 0.2275132 -0.0000000), wk = 0.0029412 k( 110) = ( 0.2222222 0.2222222 0.0000000), wk = 0.0029412 k( 111) = ( 0.2169312 0.2169312 0.0000000), wk = 0.0029412 k( 112) = ( 0.2116402 0.2116402 0.0000000), wk = 0.0029412 k( 113) = ( 0.2063492 0.2063492 0.0000000), wk = 0.0029412 k( 114) = ( 0.2010582 0.2010582 0.0000000), wk = 0.0029412 k( 115) = ( 0.1957672 0.1957672 0.0000000), wk = 0.0029412 k( 116) = ( 0.1904762 0.1904762 0.0000000), wk = 0.0029412 k( 117) = ( 0.1851852 0.1851852 -0.0000000), wk = 0.0029412 k( 118) = ( 0.1798942 0.1798942 -0.0000000), wk = 0.0029412 k( 119) = ( 0.1746032 0.1746032 0.0000000), wk = 0.0029412 k( 120) = ( 0.1693122 0.1693122 0.0000000), wk = 0.0029412 k( 121) = ( 0.1640212 0.1640212 -0.0000000), wk = 0.0029412 k( 122) = ( 0.1587302 0.1587302 0.0000000), wk = 0.0029412 k( 123) = ( 0.1534391 0.1534392 0.0000000), wk = 0.0029412 k( 124) = ( 0.1481482 0.1481482 0.0000000), wk = 0.0029412 k( 125) = ( 0.1428571 0.1428571 -0.0000000), wk = 0.0029412 k( 126) = ( 0.1375661 0.1375661 0.0000000), wk = 0.0029412 k( 127) = ( 0.1322751 0.1322751 -0.0000000), wk = 0.0029412 k( 128) = ( 0.1269841 0.1269841 0.0000000), wk = 0.0029412 k( 129) = ( 0.1216931 0.1216931 0.0000000), wk = 0.0029412 k( 130) = ( 0.1164021 0.1164021 -0.0000000), wk = 0.0029412 k( 131) = ( 0.1111111 0.1111111 0.0000000), wk = 0.0029412 k( 132) = ( 0.1058201 0.1058201 0.0000000), wk = 0.0029412 k( 133) = ( 0.1005291 0.1005291 0.0000000), wk = 0.0029412 k( 134) = ( 0.0952381 0.0952381 0.0000000), wk = 0.0029412 k( 135) = ( 0.0899471 0.0899471 -0.0000000), wk = 0.0029412 k( 136) = ( 0.0846561 0.0846561 0.0000000), wk = 0.0029412 k( 137) = ( 0.0793651 0.0793651 0.0000000), wk = 0.0029412 k( 138) = ( 0.0740741 0.0740741 0.0000000), wk = 0.0029412 k( 139) = ( 0.0687831 0.0687831 0.0000000), wk = 0.0029412 k( 140) = ( 0.0634921 0.0634921 -0.0000000), wk = 0.0029412 k( 141) = ( 0.0582011 0.0582011 -0.0000000), wk = 0.0029412 k( 142) = ( 0.0529101 0.0529101 0.0000000), wk = 0.0029412 k( 143) = ( 0.0476191 0.0476191 0.0000000), wk = 0.0029412 k( 144) = ( 0.0423280 0.0423280 0.0000000), wk = 0.0029412 k( 145) = ( 0.0370370 0.0370370 -0.0000000), wk = 0.0029412 k( 146) = ( 0.0317460 0.0317460 -0.0000000), wk = 0.0029412 k( 147) = ( 0.0264550 0.0264550 0.0000000), wk = 0.0029412 k( 148) = ( 0.0211640 0.0211640 0.0000000), wk = 0.0029412 k( 149) = ( 0.0158730 0.0158730 -0.0000000), wk = 0.0029412 k( 150) = ( 0.0105820 0.0105820 0.0000000), wk = 0.0029412 k( 151) = ( 0.0052910 0.0052910 -0.0000000), wk = 0.0029412 k( 152) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029412 k( 153) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029412 k( 154) = ( 0.0000000 0.0000000 0.0454545), wk = 0.0029412 k( 155) = ( 0.0000000 0.0000000 0.0909091), wk = 0.0029412 k( 156) = ( 0.0000000 0.0000000 0.1363636), wk = 0.0029412 k( 157) = ( 0.0000000 0.0000000 0.1818182), wk = 0.0029412 k( 158) = ( 0.0000000 0.0000000 0.2272727), wk = 0.0029412 k( 159) = ( 0.0000000 0.0000000 0.2727273), wk = 0.0029412 k( 160) = ( 0.0000000 0.0000000 0.3181818), wk = 0.0029412 k( 161) = ( 0.0000000 0.0000000 0.3636364), wk = 0.0029412 k( 162) = ( 0.0000000 0.0000000 0.4090909), wk = 0.0029412 k( 163) = ( 0.0000000 0.0000000 0.4545455), wk = 0.0029412 k( 164) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0029412 k( 165) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0029412 k( 166) = ( 0.0092593 -0.0000000 0.5000000), wk = 0.0029412 k( 167) = ( 0.0185185 -0.0000000 0.5000000), wk = 0.0029412 k( 168) = ( 0.0277778 0.0000000 0.5000000), wk = 0.0029412 k( 169) = ( 0.0370370 -0.0000000 0.5000000), wk = 0.0029412 k( 170) = ( 0.0462963 0.0000000 0.5000000), wk = 0.0029412 k( 171) = ( 0.0555556 0.0000000 0.5000000), wk = 0.0029412 k( 172) = ( 0.0648148 -0.0000000 0.5000000), wk = 0.0029412 k( 173) = ( 0.0740741 -0.0000000 0.5000000), wk = 0.0029412 k( 174) = ( 0.0833333 0.0000000 0.5000000), wk = 0.0029412 k( 175) = ( 0.0925926 0.0000000 0.5000000), wk = 0.0029412 k( 176) = ( 0.1018518 0.0000000 0.5000000), wk = 0.0029412 k( 177) = ( 0.1111111 0.0000000 0.5000000), wk = 0.0029412 k( 178) = ( 0.1203704 0.0000000 0.5000000), wk = 0.0029412 k( 179) = ( 0.1296296 -0.0000000 0.5000000), wk = 0.0029412 k( 180) = ( 0.1388889 -0.0000000 0.5000000), wk = 0.0029412 k( 181) = ( 0.1481482 -0.0000000 0.5000000), wk = 0.0029412 k( 182) = ( 0.1574074 0.0000000 0.5000000), wk = 0.0029412 k( 183) = ( 0.1666667 0.0000000 0.5000000), wk = 0.0029412 k( 184) = ( 0.1759259 0.0000000 0.5000000), wk = 0.0029412 k( 185) = ( 0.1851852 0.0000000 0.5000000), wk = 0.0029412 k( 186) = ( 0.1944444 0.0000000 0.5000000), wk = 0.0029412 k( 187) = ( 0.2037037 0.0000000 0.5000000), wk = 0.0029412 k( 188) = ( 0.2129630 0.0000000 0.5000000), wk = 0.0029412 k( 189) = ( 0.2222222 0.0000000 0.5000000), wk = 0.0029412 k( 190) = ( 0.2314815 -0.0000000 0.5000000), wk = 0.0029412 k( 191) = ( 0.2407407 0.0000000 0.5000000), wk = 0.0029412 k( 192) = ( 0.2500000 0.0000000 0.5000000), wk = 0.0029412 k( 193) = ( 0.2592593 -0.0000000 0.5000000), wk = 0.0029412 k( 194) = ( 0.2685185 -0.0000000 0.5000000), wk = 0.0029412 k( 195) = ( 0.2777778 -0.0000000 0.5000000), wk = 0.0029412 k( 196) = ( 0.2870370 -0.0000000 0.5000000), wk = 0.0029412 k( 197) = ( 0.2962963 -0.0000000 0.5000000), wk = 0.0029412 k( 198) = ( 0.3055556 -0.0000000 0.5000000), wk = 0.0029412 k( 199) = ( 0.3148148 -0.0000000 0.5000000), wk = 0.0029412 k( 200) = ( 0.3240741 0.0000000 0.5000000), wk = 0.0029412 k( 201) = ( 0.3333333 -0.0000000 0.5000000), wk = 0.0029412 k( 202) = ( 0.3425926 0.0000000 0.5000000), wk = 0.0029412 k( 203) = ( 0.3518519 -0.0000000 0.5000000), wk = 0.0029412 k( 204) = ( 0.3611111 0.0000000 0.5000000), wk = 0.0029412 k( 205) = ( 0.3703704 -0.0000000 0.5000000), wk = 0.0029412 k( 206) = ( 0.3796296 0.0000000 0.5000000), wk = 0.0029412 k( 207) = ( 0.3888889 -0.0000000 0.5000000), wk = 0.0029412 k( 208) = ( 0.3981481 0.0000000 0.5000000), wk = 0.0029412 k( 209) = ( 0.4074074 -0.0000000 0.5000000), wk = 0.0029412 k( 210) = ( 0.4166667 0.0000000 0.5000000), wk = 0.0029412 k( 211) = ( 0.4259259 -0.0000000 0.5000000), wk = 0.0029412 k( 212) = ( 0.4351852 0.0000000 0.5000000), wk = 0.0029412 k( 213) = ( 0.4444444 0.0000000 0.5000000), wk = 0.0029412 k( 214) = ( 0.4537037 -0.0000000 0.5000000), wk = 0.0029412 k( 215) = ( 0.4629630 -0.0000000 0.5000000), wk = 0.0029412 k( 216) = ( 0.4722222 -0.0000000 0.5000000), wk = 0.0029412 k( 217) = ( 0.4814815 0.0000000 0.5000000), wk = 0.0029412 k( 218) = ( 0.4907407 0.0000000 0.5000000), wk = 0.0029412 k( 219) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0029412 k( 220) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0029412 k( 221) = ( 0.4947917 0.0104167 0.5000000), wk = 0.0029412 k( 222) = ( 0.4895833 0.0208333 0.5000000), wk = 0.0029412 k( 223) = ( 0.4843750 0.0312500 0.5000000), wk = 0.0029412 k( 224) = ( 0.4791667 0.0416667 0.5000000), wk = 0.0029412 k( 225) = ( 0.4739583 0.0520833 0.5000000), wk = 0.0029412 k( 226) = ( 0.4687500 0.0625000 0.5000000), wk = 0.0029412 k( 227) = ( 0.4635417 0.0729167 0.5000000), wk = 0.0029412 k( 228) = ( 0.4583333 0.0833333 0.5000000), wk = 0.0029412 k( 229) = ( 0.4531250 0.0937500 0.5000000), wk = 0.0029412 k( 230) = ( 0.4479167 0.1041667 0.5000000), wk = 0.0029412 k( 231) = ( 0.4427083 0.1145833 0.5000000), wk = 0.0029412 k( 232) = ( 0.4375000 0.1250000 0.5000000), wk = 0.0029412 k( 233) = ( 0.4322917 0.1354167 0.5000000), wk = 0.0029412 k( 234) = ( 0.4270833 0.1458333 0.5000000), wk = 0.0029412 k( 235) = ( 0.4218750 0.1562500 0.5000000), wk = 0.0029412 k( 236) = ( 0.4166667 0.1666667 0.5000000), wk = 0.0029412 k( 237) = ( 0.4114583 0.1770833 0.5000000), wk = 0.0029412 k( 238) = ( 0.4062500 0.1875000 0.5000000), wk = 0.0029412 k( 239) = ( 0.4010417 0.1979167 0.5000000), wk = 0.0029412 k( 240) = ( 0.3958333 0.2083333 0.5000000), wk = 0.0029412 k( 241) = ( 0.3906250 0.2187500 0.5000000), wk = 0.0029412 k( 242) = ( 0.3854167 0.2291667 0.5000000), wk = 0.0029412 k( 243) = ( 0.3802083 0.2395833 0.5000000), wk = 0.0029412 k( 244) = ( 0.3750000 0.2500000 0.5000000), wk = 0.0029412 k( 245) = ( 0.3697917 0.2604167 0.5000000), wk = 0.0029412 k( 246) = ( 0.3645833 0.2708333 0.5000000), wk = 0.0029412 k( 247) = ( 0.3593750 0.2812500 0.5000000), wk = 0.0029412 k( 248) = ( 0.3541667 0.2916667 0.5000000), wk = 0.0029412 k( 249) = ( 0.3489583 0.3020833 0.5000000), wk = 0.0029412 k( 250) = ( 0.3437500 0.3125000 0.5000000), wk = 0.0029412 k( 251) = ( 0.3385417 0.3229167 0.5000000), wk = 0.0029412 k( 252) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0029412 k( 253) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0029412 k( 254) = ( 0.3280423 0.3280423 0.5000000), wk = 0.0029412 k( 255) = ( 0.3227513 0.3227513 0.5000000), wk = 0.0029412 k( 256) = ( 0.3174603 0.3174603 0.5000000), wk = 0.0029412 k( 257) = ( 0.3121693 0.3121693 0.5000000), wk = 0.0029412 k( 258) = ( 0.3068783 0.3068783 0.5000000), wk = 0.0029412 k( 259) = ( 0.3015873 0.3015873 0.5000000), wk = 0.0029412 k( 260) = ( 0.2962963 0.2962963 0.5000000), wk = 0.0029412 k( 261) = ( 0.2910053 0.2910053 0.5000000), wk = 0.0029412 k( 262) = ( 0.2857143 0.2857143 0.5000000), wk = 0.0029412 k( 263) = ( 0.2804233 0.2804233 0.5000000), wk = 0.0029412 k( 264) = ( 0.2751323 0.2751323 0.5000000), wk = 0.0029412 k( 265) = ( 0.2698413 0.2698413 0.5000000), wk = 0.0029412 k( 266) = ( 0.2645503 0.2645503 0.5000000), wk = 0.0029412 k( 267) = ( 0.2592593 0.2592593 0.5000000), wk = 0.0029412 k( 268) = ( 0.2539683 0.2539683 0.5000000), wk = 0.0029412 k( 269) = ( 0.2486772 0.2486772 0.5000000), wk = 0.0029412 k( 270) = ( 0.2433862 0.2433862 0.5000000), wk = 0.0029412 k( 271) = ( 0.2380952 0.2380952 0.5000000), wk = 0.0029412 k( 272) = ( 0.2328042 0.2328042 0.5000000), wk = 0.0029412 k( 273) = ( 0.2275132 0.2275132 0.5000000), wk = 0.0029412 k( 274) = ( 0.2222222 0.2222222 0.5000000), wk = 0.0029412 k( 275) = ( 0.2169312 0.2169312 0.5000000), wk = 0.0029412 k( 276) = ( 0.2116402 0.2116402 0.5000000), wk = 0.0029412 k( 277) = ( 0.2063492 0.2063492 0.5000000), wk = 0.0029412 k( 278) = ( 0.2010582 0.2010582 0.5000000), wk = 0.0029412 k( 279) = ( 0.1957672 0.1957672 0.5000000), wk = 0.0029412 k( 280) = ( 0.1904762 0.1904762 0.5000000), wk = 0.0029412 k( 281) = ( 0.1851852 0.1851852 0.5000000), wk = 0.0029412 k( 282) = ( 0.1798942 0.1798942 0.5000000), wk = 0.0029412 k( 283) = ( 0.1746032 0.1746032 0.5000000), wk = 0.0029412 k( 284) = ( 0.1693122 0.1693122 0.5000000), wk = 0.0029412 k( 285) = ( 0.1640212 0.1640212 0.5000000), wk = 0.0029412 k( 286) = ( 0.1587302 0.1587302 0.5000000), wk = 0.0029412 k( 287) = ( 0.1534391 0.1534392 0.5000000), wk = 0.0029412 k( 288) = ( 0.1481482 0.1481482 0.5000000), wk = 0.0029412 k( 289) = ( 0.1428571 0.1428571 0.5000000), wk = 0.0029412 k( 290) = ( 0.1375661 0.1375661 0.5000000), wk = 0.0029412 k( 291) = ( 0.1322751 0.1322751 0.5000000), wk = 0.0029412 k( 292) = ( 0.1269841 0.1269841 0.5000000), wk = 0.0029412 k( 293) = ( 0.1216931 0.1216931 0.5000000), wk = 0.0029412 k( 294) = ( 0.1164021 0.1164021 0.5000000), wk = 0.0029412 k( 295) = ( 0.1111111 0.1111111 0.5000000), wk = 0.0029412 k( 296) = ( 0.1058201 0.1058201 0.5000000), wk = 0.0029412 k( 297) = ( 0.1005291 0.1005291 0.5000000), wk = 0.0029412 k( 298) = ( 0.0952381 0.0952381 0.5000000), wk = 0.0029412 k( 299) = ( 0.0899471 0.0899471 0.5000000), wk = 0.0029412 k( 300) = ( 0.0846561 0.0846561 0.5000000), wk = 0.0029412 k( 301) = ( 0.0793651 0.0793651 0.5000000), wk = 0.0029412 k( 302) = ( 0.0740741 0.0740741 0.5000000), wk = 0.0029412 k( 303) = ( 0.0687831 0.0687831 0.5000000), wk = 0.0029412 k( 304) = ( 0.0634921 0.0634921 0.5000000), wk = 0.0029412 k( 305) = ( 0.0582011 0.0582011 0.5000000), wk = 0.0029412 k( 306) = ( 0.0529101 0.0529101 0.5000000), wk = 0.0029412 k( 307) = ( 0.0476191 0.0476191 0.5000000), wk = 0.0029412 k( 308) = ( 0.0423280 0.0423280 0.5000000), wk = 0.0029412 k( 309) = ( 0.0370370 0.0370370 0.5000000), wk = 0.0029412 k( 310) = ( 0.0317460 0.0317460 0.5000000), wk = 0.0029412 k( 311) = ( 0.0264550 0.0264550 0.5000000), wk = 0.0029412 k( 312) = ( 0.0211640 0.0211640 0.5000000), wk = 0.0029412 k( 313) = ( 0.0158730 0.0158730 0.5000000), wk = 0.0029412 k( 314) = ( 0.0105820 0.0105820 0.5000000), wk = 0.0029412 k( 315) = ( 0.0052910 0.0052910 0.5000000), wk = 0.0029412 k( 316) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0029412 k( 317) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0029412 k( 318) = ( 0.5000000 0.0000000 0.4545454), wk = 0.0029412 k( 319) = ( 0.5000000 0.0000000 0.4090909), wk = 0.0029412 k( 320) = ( 0.5000000 0.0000000 0.3636364), wk = 0.0029412 k( 321) = ( 0.5000000 0.0000000 0.3181818), wk = 0.0029412 k( 322) = ( 0.5000000 0.0000000 0.2727273), wk = 0.0029412 k( 323) = ( 0.5000000 0.0000000 0.2272727), wk = 0.0029412 k( 324) = ( 0.5000000 0.0000000 0.1818182), wk = 0.0029412 k( 325) = ( 0.5000000 0.0000000 0.1363636), wk = 0.0029412 k( 326) = ( 0.5000000 0.0000000 0.0909091), wk = 0.0029412 k( 327) = ( 0.5000000 0.0000000 0.0454546), wk = 0.0029412 k( 328) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0029412 k( 329) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0029412 k( 330) = ( 0.3333333 0.3333333 0.0454545), wk = 0.0029412 k( 331) = ( 0.3333333 0.3333333 0.0909091), wk = 0.0029412 k( 332) = ( 0.3333333 0.3333333 0.1363636), wk = 0.0029412 k( 333) = ( 0.3333333 0.3333333 0.1818182), wk = 0.0029412 k( 334) = ( 0.3333333 0.3333333 0.2272727), wk = 0.0029412 k( 335) = ( 0.3333333 0.3333333 0.2727273), wk = 0.0029412 k( 336) = ( 0.3333333 0.3333333 0.3181818), wk = 0.0029412 k( 337) = ( 0.3333333 0.3333333 0.3636364), wk = 0.0029412 k( 338) = ( 0.3333333 0.3333333 0.4090909), wk = 0.0029412 k( 339) = ( 0.3333333 0.3333333 0.4545455), wk = 0.0029412 k( 340) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0029412 Dense grid: 97613 G-vectors FFT dimensions: ( 40, 40, 162) Smooth grid: 46751 G-vectors FFT dimensions: ( 30, 30, 125) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.32 Mb ( 350, 60) NL pseudopotentials 0.43 Mb ( 175, 160) Each V/rho on FFT grid 0.12 Mb ( 8000) Each G-vector array 0.02 Mb ( 2724) G-vector shells 0.01 Mb ( 1190) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.28 Mb ( 350, 240) Each subspace H/S matrix 0.05 Mb ( 60, 60) Each matrix 0.29 Mb ( 160, 2, 60) The potential is recalculated from file : ./Zr2TlC.save/charge-density.dat Starting wfc are 124 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.8 secs Computing kpt #: 2 total cpu time spent up to now is 4.9 secs Computing kpt #: 3 total cpu time spent up to now is 6.0 secs Computing kpt #: 4 total cpu time spent up to now is 7.0 secs Computing kpt #: 5 total cpu time spent up to now is 8.1 secs Computing kpt #: 6 total cpu time spent up to now is 9.2 secs Computing kpt #: 7 total cpu time spent up to now is 10.2 secs Computing kpt #: 8 total cpu time spent up to now is 11.1 secs Computing kpt #: 9 total cpu time spent up to now is 12.2 secs Computing kpt #: 10 total cpu time spent up to now is 13.3 secs Computing kpt #: 11 total cpu time spent up to now is 14.5 secs Computing kpt #: 12 total cpu time spent up to now is 15.7 secs Computing kpt #: 13 total cpu time spent up to now is 16.7 secs Computing kpt #: 14 total cpu time spent up to now is 17.9 secs Computing kpt #: 15 total cpu time spent up to now is 19.2 secs Computing kpt #: 16 total cpu time spent up to now is 21.0 secs Computing kpt #: 17 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 23.0 secs Computing kpt #: 18 total cpu time spent up to now is 24.7 secs Computing kpt #: 19 total cpu time spent up to now is 26.4 secs Computing kpt #: 20 total cpu time spent up to now is 27.8 secs Computing kpt #: 21 total cpu time spent up to now is 28.9 secs Computing kpt #: 22 total cpu time spent up to now is 29.9 secs Computing kpt #: 23 total cpu time spent up to now is 30.9 secs Computing kpt #: 24 total cpu time spent up to now is 31.8 secs Computing kpt #: 25 total cpu time spent up to now is 32.6 secs Computing kpt #: 26 total cpu time spent up to now is 33.5 secs Computing kpt #: 27 total cpu time spent up to now is 34.3 secs Computing kpt #: 28 total cpu time spent up to now is 35.1 secs Computing kpt #: 29 total cpu time spent up to now is 35.8 secs Computing kpt #: 30 total cpu time spent up to now is 36.6 secs Computing kpt #: 31 total cpu time spent up to now is 37.4 secs Computing kpt #: 32 total cpu time spent up to now is 38.0 secs Computing kpt #: 33 total cpu time spent up to now is 38.8 secs Computing kpt #: 34 total cpu time spent up to now is 39.6 secs Computing kpt #: 35 total cpu time spent up to now is 40.3 secs Computing kpt #: 36 total cpu time spent up to now is 41.1 secs Computing kpt #: 37 total cpu time spent up to now is 41.8 secs Computing kpt #: 38 total cpu time spent up to now is 42.6 secs Computing kpt #: 39 total cpu time spent up to now is 43.4 secs Computing kpt #: 40 total cpu time spent up to now is 44.2 secs Computing kpt #: 41 total cpu time spent up to now is 45.0 secs Computing kpt #: 42 total cpu time spent up to now is 45.8 secs Computing kpt #: 43 total cpu time spent up to now is 46.7 secs Computing kpt #: 44 total cpu time spent up to now is 47.6 secs Computing kpt #: 45 total cpu time spent up to now is 48.7 secs Computing kpt #: 46 total cpu time spent up to now is 49.7 secs Computing kpt #: 47 total cpu time spent up to now is 50.8 secs Computing kpt #: 48 total cpu time spent up to now is 52.1 secs Computing kpt #: 49 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 54.2 secs Computing kpt #: 50 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 56.2 secs Computing kpt #: 51 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 58.3 secs Computing kpt #: 52 total cpu time spent up to now is 60.0 secs Computing kpt #: 53 total cpu time spent up to now is 61.6 secs Computing kpt #: 54 total cpu time spent up to now is 62.9 secs Computing kpt #: 55 total cpu time spent up to now is 64.4 secs Computing kpt #: 56 total cpu time spent up to now is 65.8 secs Computing kpt #: 57 total cpu time spent up to now is 67.3 secs Computing kpt #: 58 total cpu time spent up to now is 69.0 secs Computing kpt #: 59 total cpu time spent up to now is 70.2 secs Computing kpt #: 60 total cpu time spent up to now is 71.4 secs Computing kpt #: 61 total cpu time spent up to now is 72.6 secs Computing kpt #: 62 total cpu time spent up to now is 73.8 secs Computing kpt #: 63 total cpu time spent up to now is 74.9 secs Computing kpt #: 64 total cpu time spent up to now is 75.7 secs Computing kpt #: 65 total cpu time spent up to now is 76.6 secs Computing kpt #: 66 total cpu time spent up to now is 77.5 secs Computing kpt #: 67 total cpu time spent up to now is 78.3 secs Computing kpt #: 68 total cpu time spent up to now is 79.1 secs Computing kpt #: 69 total cpu time spent up to now is 80.0 secs Computing kpt #: 70 total cpu time spent up to now is 80.8 secs Computing kpt #: 71 total cpu time spent up to now is 81.6 secs Computing kpt #: 72 total cpu time spent up to now is 82.4 secs Computing kpt #: 73 total cpu time spent up to now is 83.3 secs Computing kpt #: 74 total cpu time spent up to now is 84.4 secs Computing kpt #: 75 total cpu time spent up to now is 85.5 secs Computing kpt #: 76 total cpu time spent up to now is 86.6 secs Computing kpt #: 77 total cpu time spent up to now is 87.7 secs Computing kpt #: 78 total cpu time spent up to now is 88.7 secs Computing kpt #: 79 total cpu time spent up to now is 89.6 secs Computing kpt #: 80 total cpu time spent up to now is 90.4 secs Computing kpt #: 81 total cpu time spent up to now is 91.2 secs Computing kpt #: 82 total cpu time spent up to now is 92.0 secs Computing kpt #: 83 total cpu time spent up to now is 92.7 secs Computing kpt #: 84 total cpu time spent up to now is 93.4 secs Computing kpt #: 85 total cpu time spent up to now is 94.1 secs Computing kpt #: 86 total cpu time spent up to now is 94.7 secs Computing kpt #: 87 total cpu time spent up to now is 95.4 secs Computing kpt #: 88 total cpu time spent up to now is 96.0 secs Computing kpt #: 89 total cpu time spent up to now is 96.7 secs Computing kpt #: 90 total cpu time spent up to now is 97.3 secs Computing kpt #: 91 total cpu time spent up to now is 97.9 secs Computing kpt #: 92 total cpu time spent up to now is 98.6 secs Computing kpt #: 93 total cpu time spent up to now is 99.3 secs Computing kpt #: 94 total cpu time spent up to now is 100.1 secs Computing kpt #: 95 total cpu time spent up to now is 100.8 secs Computing kpt #: 96 total cpu time spent up to now is 101.6 secs Computing kpt #: 97 total cpu time spent up to now is 102.5 secs Computing kpt #: 98 total cpu time spent up to now is 103.4 secs Computing kpt #: 99 total cpu time spent up to now is 104.5 secs Computing kpt #: 100 total cpu time spent up to now is 105.6 secs Computing kpt #: 101 total cpu time spent up to now is 106.6 secs Computing kpt #: 102 total cpu time spent up to now is 107.5 secs Computing kpt #: 103 total cpu time spent up to now is 108.5 secs Computing kpt #: 104 total cpu time spent up to now is 109.5 secs Computing kpt #: 105 total cpu time spent up to now is 110.5 secs Computing kpt #: 106 total cpu time spent up to now is 111.7 secs Computing kpt #: 107 total cpu time spent up to now is 113.3 secs Computing kpt #: 108 total cpu time spent up to now is 114.5 secs Computing kpt #: 109 total cpu time spent up to now is 115.4 secs Computing kpt #: 110 total cpu time spent up to now is 116.3 secs Computing kpt #: 111 total cpu time spent up to now is 117.1 secs Computing kpt #: 112 total cpu time spent up to now is 117.9 secs Computing kpt #: 113 total cpu time spent up to now is 118.6 secs Computing kpt #: 114 total cpu time spent up to now is 119.4 secs Computing kpt #: 115 total cpu time spent up to now is 120.0 secs Computing kpt #: 116 total cpu time spent up to now is 120.8 secs Computing kpt #: 117 total cpu time spent up to now is 121.5 secs Computing kpt #: 118 total cpu time spent up to now is 122.3 secs Computing kpt #: 119 total cpu time spent up to now is 123.5 secs Computing kpt #: 120 total cpu time spent up to now is 124.5 secs Computing kpt #: 121 total cpu time spent up to now is 125.5 secs Computing kpt #: 122 total cpu time spent up to now is 126.7 secs Computing kpt #: 123 total cpu time spent up to now is 127.9 secs Computing kpt #: 124 total cpu time spent up to now is 128.9 secs Computing kpt #: 125 total cpu time spent up to now is 129.8 secs Computing kpt #: 126 total cpu time spent up to now is 130.7 secs Computing kpt #: 127 total cpu time spent up to now is 131.5 secs Computing kpt #: 128 total cpu time spent up to now is 132.4 secs Computing kpt #: 129 total cpu time spent up to now is 133.2 secs Computing kpt #: 130 total cpu time spent up to now is 134.1 secs Computing kpt #: 131 total cpu time spent up to now is 135.0 secs Computing kpt #: 132 total cpu time spent up to now is 135.8 secs Computing kpt #: 133 total cpu time spent up to now is 136.7 secs Computing kpt #: 134 total cpu time spent up to now is 137.6 secs Computing kpt #: 135 total cpu time spent up to now is 138.5 secs Computing kpt #: 136 total cpu time spent up to now is 139.3 secs Computing kpt #: 137 total cpu time spent up to now is 140.2 secs Computing kpt #: 138 total cpu time spent up to now is 141.0 secs Computing kpt #: 139 total cpu time spent up to now is 142.0 secs Computing kpt #: 140 total cpu time spent up to now is 142.9 secs Computing kpt #: 141 total cpu time spent up to now is 143.9 secs Computing kpt #: 142 total cpu time spent up to now is 144.9 secs Computing kpt #: 143 total cpu time spent up to now is 145.9 secs Computing kpt #: 144 total cpu time spent up to now is 147.0 secs Computing kpt #: 145 total cpu time spent up to now is 148.0 secs Computing kpt #: 146 total cpu time spent up to now is 149.0 secs Computing kpt #: 147 total cpu time spent up to now is 150.1 secs Computing kpt #: 148 total cpu time spent up to now is 151.0 secs Computing kpt #: 149 total cpu time spent up to now is 152.1 secs Computing kpt #: 150 total cpu time spent up to now is 153.1 secs Computing kpt #: 151 total cpu time spent up to now is 154.1 secs Computing kpt #: 152 total cpu time spent up to now is 155.2 secs Computing kpt #: 153 total cpu time spent up to now is 156.2 secs Computing kpt #: 154 total cpu time spent up to now is 157.3 secs Computing kpt #: 155 total cpu time spent up to now is 158.4 secs Computing kpt #: 156 total cpu time spent up to now is 159.4 secs Computing kpt #: 157 total cpu time spent up to now is 160.5 secs Computing kpt #: 158 total cpu time spent up to now is 161.6 secs Computing kpt #: 159 total cpu time spent up to now is 162.7 secs Computing kpt #: 160 total cpu time spent up to now is 163.8 secs Computing kpt #: 161 total cpu time spent up to now is 165.0 secs Computing kpt #: 162 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 167.0 secs Computing kpt #: 163 total cpu time spent up to now is 168.2 secs Computing kpt #: 164 total cpu time spent up to now is 169.3 secs Computing kpt #: 165 total cpu time spent up to now is 170.5 secs Computing kpt #: 166 total cpu time spent up to now is 171.7 secs Computing kpt #: 167 total cpu time spent up to now is 173.0 secs Computing kpt #: 168 total cpu time spent up to now is 174.2 secs Computing kpt #: 169 total cpu time spent up to now is 175.3 secs Computing kpt #: 170 total cpu time spent up to now is 176.4 secs Computing kpt #: 171 total cpu time spent up to now is 177.6 secs Computing kpt #: 172 total cpu time spent up to now is 178.6 secs Computing kpt #: 173 total cpu time spent up to now is 179.7 secs Computing kpt #: 174 total cpu time spent up to now is 180.7 secs Computing kpt #: 175 total cpu time spent up to now is 181.7 secs Computing kpt #: 176 total cpu time spent up to now is 182.6 secs Computing kpt #: 177 total cpu time spent up to now is 183.5 secs Computing kpt #: 178 total cpu time spent up to now is 184.4 secs Computing kpt #: 179 total cpu time spent up to now is 185.3 secs Computing kpt #: 180 total cpu time spent up to now is 186.2 secs Computing kpt #: 181 total cpu time spent up to now is 187.0 secs Computing kpt #: 182 total cpu time spent up to now is 187.8 secs Computing kpt #: 183 total cpu time spent up to now is 188.7 secs Computing kpt #: 184 total cpu time spent up to now is 189.5 secs Computing kpt #: 185 total cpu time spent up to now is 190.2 secs Computing kpt #: 186 total cpu time spent up to now is 191.0 secs Computing kpt #: 187 total cpu time spent up to now is 191.8 secs Computing kpt #: 188 total cpu time spent up to now is 192.6 secs Computing kpt #: 189 total cpu time spent up to now is 193.3 secs Computing kpt #: 190 total cpu time spent up to now is 194.1 secs Computing kpt #: 191 total cpu time spent up to now is 194.8 secs Computing kpt #: 192 total cpu time spent up to now is 195.6 secs Computing kpt #: 193 total cpu time spent up to now is 196.3 secs Computing kpt #: 194 total cpu time spent up to now is 197.1 secs Computing kpt #: 195 total cpu time spent up to now is 197.9 secs Computing kpt #: 196 total cpu time spent up to now is 198.6 secs Computing kpt #: 197 total cpu time spent up to now is 199.4 secs Computing kpt #: 198 total cpu time spent up to now is 200.1 secs Computing kpt #: 199 total cpu time spent up to now is 200.9 secs Computing kpt #: 200 total cpu time spent up to now is 201.7 secs Computing kpt #: 201 total cpu time spent up to now is 202.4 secs Computing kpt #: 202 total cpu time spent up to now is 203.2 secs Computing kpt #: 203 total cpu time spent up to now is 204.0 secs Computing kpt #: 204 total cpu time spent up to now is 204.8 secs Computing kpt #: 205 total cpu time spent up to now is 205.6 secs Computing kpt #: 206 total cpu time spent up to now is 206.4 secs Computing kpt #: 207 total cpu time spent up to now is 207.2 secs Computing kpt #: 208 total cpu time spent up to now is 208.0 secs Computing kpt #: 209 total cpu time spent up to now is 208.9 secs Computing kpt #: 210 total cpu time spent up to now is 209.7 secs Computing kpt #: 211 total cpu time spent up to now is 210.6 secs Computing kpt #: 212 total cpu time spent up to now is 211.4 secs Computing kpt #: 213 total cpu time spent up to now is 212.3 secs Computing kpt #: 214 total cpu time spent up to now is 213.2 secs Computing kpt #: 215 total cpu time spent up to now is 214.1 secs Computing kpt #: 216 total cpu time spent up to now is 215.0 secs Computing kpt #: 217 total cpu time spent up to now is 215.9 secs Computing kpt #: 218 total cpu time spent up to now is 216.8 secs Computing kpt #: 219 total cpu time spent up to now is 217.8 secs Computing kpt #: 220 total cpu time spent up to now is 218.7 secs Computing kpt #: 221 total cpu time spent up to now is 219.6 secs Computing kpt #: 222 total cpu time spent up to now is 220.5 secs Computing kpt #: 223 total cpu time spent up to now is 221.4 secs Computing kpt #: 224 total cpu time spent up to now is 222.3 secs Computing kpt #: 225 total cpu time spent up to now is 223.1 secs Computing kpt #: 226 total cpu time spent up to now is 224.0 secs Computing kpt #: 227 total cpu time spent up to now is 224.9 secs Computing kpt #: 228 total cpu time spent up to now is 225.7 secs Computing kpt #: 229 total cpu time spent up to now is 226.5 secs Computing kpt #: 230 total cpu time spent up to now is 227.3 secs Computing kpt #: 231 total cpu time spent up to now is 228.1 secs Computing kpt #: 232 total cpu time spent up to now is 228.9 secs Computing kpt #: 233 total cpu time spent up to now is 229.7 secs Computing kpt #: 234 total cpu time spent up to now is 230.5 secs Computing kpt #: 235 total cpu time spent up to now is 231.3 secs Computing kpt #: 236 total cpu time spent up to now is 232.0 secs Computing kpt #: 237 total cpu time spent up to now is 232.8 secs Computing kpt #: 238 total cpu time spent up to now is 233.5 secs Computing kpt #: 239 total cpu time spent up to now is 234.2 secs Computing kpt #: 240 total cpu time spent up to now is 234.8 secs Computing kpt #: 241 total cpu time spent up to now is 235.5 secs Computing kpt #: 242 total cpu time spent up to now is 236.1 secs Computing kpt #: 243 total cpu time spent up to now is 236.8 secs Computing kpt #: 244 total cpu time spent up to now is 237.4 secs Computing kpt #: 245 total cpu time spent up to now is 238.0 secs Computing kpt #: 246 total cpu time spent up to now is 238.7 secs Computing kpt #: 247 total cpu time spent up to now is 239.3 secs Computing kpt #: 248 total cpu time spent up to now is 239.9 secs Computing kpt #: 249 total cpu time spent up to now is 240.6 secs Computing kpt #: 250 total cpu time spent up to now is 241.2 secs Computing kpt #: 251 total cpu time spent up to now is 241.8 secs Computing kpt #: 252 total cpu time spent up to now is 242.4 secs Computing kpt #: 253 total cpu time spent up to now is 243.1 secs Computing kpt #: 254 total cpu time spent up to now is 243.7 secs Computing kpt #: 255 total cpu time spent up to now is 244.3 secs Computing kpt #: 256 total cpu time spent up to now is 245.0 secs Computing kpt #: 257 total cpu time spent up to now is 245.6 secs Computing kpt #: 258 total cpu time spent up to now is 246.2 secs Computing kpt #: 259 total cpu time spent up to now is 246.8 secs Computing kpt #: 260 total cpu time spent up to now is 247.5 secs Computing kpt #: 261 total cpu time spent up to now is 248.1 secs Computing kpt #: 262 total cpu time spent up to now is 248.7 secs Computing kpt #: 263 total cpu time spent up to now is 249.3 secs Computing kpt #: 264 total cpu time spent up to now is 250.0 secs Computing kpt #: 265 total cpu time spent up to now is 250.6 secs Computing kpt #: 266 total cpu time spent up to now is 251.2 secs Computing kpt #: 267 total cpu time spent up to now is 251.9 secs Computing kpt #: 268 total cpu time spent up to now is 252.5 secs Computing kpt #: 269 total cpu time spent up to now is 253.2 secs Computing kpt #: 270 total cpu time spent up to now is 253.9 secs Computing kpt #: 271 total cpu time spent up to now is 254.7 secs Computing kpt #: 272 total cpu time spent up to now is 255.4 secs Computing kpt #: 273 total cpu time spent up to now is 256.2 secs Computing kpt #: 274 total cpu time spent up to now is 257.0 secs Computing kpt #: 275 total cpu time spent up to now is 257.9 secs Computing kpt #: 276 total cpu time spent up to now is 258.8 secs Computing kpt #: 277 total cpu time spent up to now is 259.8 secs Computing kpt #: 278 total cpu time spent up to now is 260.8 secs Computing kpt #: 279 total cpu time spent up to now is 261.9 secs Computing kpt #: 280 total cpu time spent up to now is 262.9 secs Computing kpt #: 281 total cpu time spent up to now is 263.9 secs Computing kpt #: 282 total cpu time spent up to now is 264.8 secs Computing kpt #: 283 total cpu time spent up to now is 265.6 secs Computing kpt #: 284 total cpu time spent up to now is 266.4 secs Computing kpt #: 285 total cpu time spent up to now is 267.2 secs Computing kpt #: 286 total cpu time spent up to now is 268.0 secs Computing kpt #: 287 total cpu time spent up to now is 268.8 secs Computing kpt #: 288 total cpu time spent up to now is 269.6 secs Computing kpt #: 289 total cpu time spent up to now is 270.4 secs Computing kpt #: 290 total cpu time spent up to now is 271.2 secs Computing kpt #: 291 total cpu time spent up to now is 272.0 secs Computing kpt #: 292 total cpu time spent up to now is 272.8 secs Computing kpt #: 293 total cpu time spent up to now is 273.7 secs Computing kpt #: 294 total cpu time spent up to now is 274.5 secs Computing kpt #: 295 total cpu time spent up to now is 275.6 secs Computing kpt #: 296 total cpu time spent up to now is 276.5 secs Computing kpt #: 297 total cpu time spent up to now is 277.6 secs Computing kpt #: 298 total cpu time spent up to now is 278.7 secs Computing kpt #: 299 total cpu time spent up to now is 279.9 secs Computing kpt #: 300 total cpu time spent up to now is 281.1 secs Computing kpt #: 301 total cpu time spent up to now is 282.3 secs Computing kpt #: 302 total cpu time spent up to now is 283.4 secs Computing kpt #: 303 total cpu time spent up to now is 284.5 secs Computing kpt #: 304 total cpu time spent up to now is 285.7 secs Computing kpt #: 305 total cpu time spent up to now is 286.8 secs Computing kpt #: 306 total cpu time spent up to now is 287.9 secs Computing kpt #: 307 total cpu time spent up to now is 289.0 secs Computing kpt #: 308 total cpu time spent up to now is 290.1 secs Computing kpt #: 309 total cpu time spent up to now is 291.2 secs Computing kpt #: 310 total cpu time spent up to now is 292.4 secs Computing kpt #: 311 total cpu time spent up to now is 293.5 secs Computing kpt #: 312 total cpu time spent up to now is 294.6 secs Computing kpt #: 313 total cpu time spent up to now is 295.8 secs Computing kpt #: 314 total cpu time spent up to now is 297.0 secs Computing kpt #: 315 total cpu time spent up to now is 298.1 secs Computing kpt #: 316 total cpu time spent up to now is 299.3 secs Computing kpt #: 317 total cpu time spent up to now is 300.2 secs Computing kpt #: 318 total cpu time spent up to now is 301.2 secs Computing kpt #: 319 total cpu time spent up to now is 302.1 secs Computing kpt #: 320 total cpu time spent up to now is 303.0 secs Computing kpt #: 321 total cpu time spent up to now is 304.0 secs Computing kpt #: 322 total cpu time spent up to now is 304.9 secs Computing kpt #: 323 total cpu time spent up to now is 305.9 secs Computing kpt #: 324 total cpu time spent up to now is 307.0 secs Computing kpt #: 325 total cpu time spent up to now is 308.2 secs Computing kpt #: 326 total cpu time spent up to now is 309.4 secs Computing kpt #: 327 total cpu time spent up to now is 310.8 secs Computing kpt #: 328 total cpu time spent up to now is 312.2 secs Computing kpt #: 329 total cpu time spent up to now is 312.9 secs Computing kpt #: 330 total cpu time spent up to now is 313.5 secs Computing kpt #: 331 total cpu time spent up to now is 314.3 secs Computing kpt #: 332 total cpu time spent up to now is 314.9 secs Computing kpt #: 333 total cpu time spent up to now is 315.6 secs Computing kpt #: 334 total cpu time spent up to now is 316.2 secs Computing kpt #: 335 total cpu time spent up to now is 316.9 secs Computing kpt #: 336 total cpu time spent up to now is 317.5 secs Computing kpt #: 337 total cpu time spent up to now is 318.2 secs Computing kpt #: 338 total cpu time spent up to now is 318.8 secs Computing kpt #: 339 total cpu time spent up to now is 319.4 secs Computing kpt #: 340 total cpu time spent up to now is 320.1 secs ethr = 2.00E-08, avg # of iterations = 36.1 total cpu time spent up to now is 320.1 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 5829 PWs) bands (ev): -1.8584 -1.8584 -1.8584 -1.8584 -1.8171 -1.8171 -1.8150 -1.8150 -0.1836 -0.1836 -0.0109 -0.0109 0.2260 0.2260 0.2279 0.2279 0.2300 0.2300 0.2303 0.2303 0.4939 0.4939 0.4952 0.4952 1.6935 1.6935 2.1390 2.1390 5.4890 5.4890 6.2710 6.2710 8.1131 8.1131 8.1219 8.1219 8.1616 8.1616 8.1716 8.1716 8.2838 8.2838 9.1911 9.1911 11.0434 11.0434 11.3023 11.3023 11.5275 11.5275 11.5483 11.5483 11.6011 11.6011 11.6123 11.6123 12.8311 12.8311 12.9053 12.9053 k = 0.0093 0.0053-0.0000 ( 5831 PWs) bands (ev): -1.8583 -1.8583 -1.8583 -1.8583 -1.8170 -1.8170 -1.8149 -1.8149 -0.1825 -0.1825 -0.0102 -0.0102 0.2262 0.2262 0.2279 0.2279 0.2303 0.2303 0.2307 0.2307 0.4938 0.4938 0.4950 0.4950 1.6949 1.6949 2.1397 2.1397 5.4911 5.4911 6.2726 6.2726 8.1124 8.1124 8.1215 8.1215 8.1337 8.1337 8.1677 8.1677 8.3157 8.3157 9.1910 9.1910 11.0438 11.0438 11.3030 11.3030 11.5263 11.5263 11.5474 11.5474 11.6001 11.6001 11.6117 11.6117 12.8270 12.8270 12.9012 12.9012 k = 0.0185 0.0107-0.0000 ( 5829 PWs) bands (ev): -1.8581 -1.8581 -1.8581 -1.8581 -1.8168 -1.8168 -1.8147 -1.8147 -0.1792 -0.1792 -0.0083 -0.0083 0.2268 0.2268 0.2279 0.2279 0.2313 0.2313 0.2318 0.2318 0.4937 0.4937 0.4944 0.4944 1.6990 1.6990 2.1416 2.1416 5.4974 5.4974 6.2775 6.2775 8.0743 8.0743 8.1090 8.1090 8.1215 8.1215 8.1686 8.1686 8.3745 8.3745 9.1908 9.1908 11.0449 11.0449 11.3051 11.3051 11.5217 11.5217 11.5438 11.5438 11.5982 11.5982 11.6107 11.6107 12.8145 12.8145 12.8899 12.8899 k = 0.0278 0.0160-0.0000 ( 5833 PWs) bands (ev): -1.8577 -1.8577 -1.8577 -1.8577 -1.8164 -1.8164 -1.8144 -1.8144 -0.1737 -0.1737 -0.0051 -0.0051 0.2274 0.2274 0.2279 0.2279 0.2332 0.2332 0.2337 0.2337 0.4933 0.4933 0.4934 0.4934 1.7058 1.7058 2.1449 2.1449 5.5079 5.5079 6.2855 6.2855 8.0088 8.0088 8.1017 8.1017 8.1233 8.1233 8.1708 8.1708 8.4383 8.4383 9.1903 9.1903 11.0467 11.0467 11.3085 11.3085 11.5108 11.5108 11.5348 11.5348 11.5984 11.5984 11.6119 11.6119 12.7928 12.7928 12.8733 12.8733 k = 0.0370 0.0214-0.0000 ( 5833 PWs) bands (ev): -1.8572 -1.8572 -1.8571 -1.8571 -1.8158 -1.8158 -1.8139 -1.8139 -0.1662 -0.1662 -0.0007 -0.0007 0.2279 0.2279 0.2282 0.2282 0.2361 0.2361 0.2364 0.2364 0.4920 0.4920 0.4929 0.4929 1.7154 1.7154 2.1495 2.1495 5.5225 5.5225 6.2967 6.2967 7.9417 7.9417 8.0907 8.0907 8.1265 8.1265 8.1739 8.1739 8.5027 8.5027 9.1899 9.1899 11.0490 11.0490 11.3131 11.3131 11.4914 11.4914 11.5187 11.5187 11.6031 11.6031 11.6175 11.6175 12.7612 12.7612 12.8536 12.8536 k = 0.0463 0.0267-0.0000 ( 5819 PWs) bands (ev): -1.8565 -1.8565 -1.8564 -1.8564 -1.8151 -1.8151 -1.8132 -1.8132 -0.1565 -0.1565 0.0050 0.0050 0.2280 0.2280 0.2290 0.2290 0.2396 0.2396 0.2402 0.2402 0.4903 0.4903 0.4925 0.4925 1.7278 1.7278 2.1555 2.1555 5.5412 5.5412 6.3111 6.3111 7.8743 7.8743 8.0764 8.0764 8.1310 8.1310 8.1779 8.1779 8.5665 8.5665 9.1895 9.1895 11.0518 11.0518 11.3183 11.3183 11.4632 11.4632 11.4953 11.4953 11.6128 11.6128 11.6280 11.6280 12.7203 12.7203 12.8326 12.8326 k = 0.0556 0.0321-0.0000 ( 5823 PWs) bands (ev): -1.8556 -1.8556 -1.8556 -1.8556 -1.8142 -1.8142 -1.8124 -1.8124 -0.1448 -0.1448 0.0118 0.0118 0.2281 0.2281 0.2298 0.2298 0.2436 0.2436 0.2450 0.2450 0.4882 0.4882 0.4919 0.4919 1.7430 1.7430 2.1630 2.1630 5.5640 5.5640 6.3286 6.3286 7.8071 7.8071 8.0592 8.0592 8.1364 8.1364 8.1826 8.1826 8.6288 8.6288 9.1894 9.1894 11.0547 11.0547 11.3232 11.3232 11.4273 11.4273 11.4664 11.4664 11.6268 11.6268 11.6428 11.6428 12.6714 12.6714 12.8110 12.8110 k = 0.0648 0.0374-0.0000 ( 5833 PWs) bands (ev): -1.8548 -1.8548 -1.8547 -1.8547 -1.8132 -1.8132 -1.8116 -1.8116 -0.1311 -0.1311 0.0196 0.0196 0.2283 0.2283 0.2306 0.2306 0.2484 0.2484 0.2506 0.2506 0.4857 0.4857 0.4913 0.4913 1.7610 1.7610 2.1720 2.1720 5.5907 5.5907 6.3491 6.3491 7.7405 7.7405 8.0392 8.0392 8.1427 8.1427 8.1881 8.1881 8.6890 8.6890 9.1898 9.1898 11.0575 11.0575 11.3247 11.3247 11.3852 11.3852 11.4354 11.4354 11.6445 11.6445 11.6613 11.6613 12.6162 12.6162 12.7891 12.7891 k = 0.0741 0.0428-0.0000 ( 5825 PWs) bands (ev): -1.8538 -1.8538 -1.8537 -1.8537 -1.8120 -1.8120 -1.8105 -1.8105 -0.1155 -0.1155 0.0285 0.0285 0.2285 0.2285 0.2316 0.2316 0.2538 0.2538 0.2571 0.2571 0.4830 0.4830 0.4908 0.4908 1.7819 1.7819 2.1826 2.1826 5.6214 5.6214 6.3726 6.3726 7.6748 7.6748 8.0167 8.0167 8.1498 8.1498 8.1942 8.1942 8.7465 8.7465 9.1912 9.1912 11.0596 11.0596 11.3136 11.3136 11.3390 11.3390 11.4111 11.4111 11.6654 11.6654 11.6833 11.6833 12.5562 12.5562 12.7673 12.7674 k = 0.0833 0.0481-0.0000 ( 5825 PWs) bands (ev): -1.8527 -1.8527 -1.8526 -1.8526 -1.8107 -1.8107 -1.8093 -1.8093 -0.0982 -0.0982 0.0382 0.0382 0.2288 0.2288 0.2327 0.2327 0.2598 0.2598 0.2644 0.2644 0.4800 0.4800 0.4903 0.4903 1.8057 1.8057 2.1949 2.1949 5.6557 5.6557 6.3990 6.3990 7.6102 7.6102 7.9919 7.9919 8.1577 8.1577 8.2010 8.2010 8.8004 8.8004 9.1940 9.1940 11.0601 11.0601 11.2771 11.2771 11.2936 11.2936 11.4041 11.4041 11.6890 11.6890 11.7083 11.7083 12.4925 12.4925 12.7464 12.7464 k = 0.0926 0.0535-0.0000 ( 5817 PWs) bands (ev): -1.8516 -1.8516 -1.8515 -1.8515 -1.8092 -1.8092 -1.8080 -1.8080 -0.0792 -0.0792 0.0488 0.0488 0.2291 0.2291 0.2338 0.2338 0.2664 0.2664 0.2725 0.2725 0.4768 0.4768 0.4899 0.4899 1.8325 1.8325 2.2090 2.2090 5.6938 5.6938 6.4282 6.4282 7.5469 7.5469 7.9649 7.9649 8.1661 8.1661 8.2082 8.2082 8.8498 8.8498 9.1992 9.1992 11.0570 11.0570 11.2251 11.2251 11.2451 11.2451 11.4111 11.4111 11.7151 11.7151 11.7361 11.7361 12.4260 12.4260 12.7269 12.7269 k = 0.1019 0.0588-0.0000 ( 5813 PWs) bands (ev): -1.8505 -1.8505 -1.8504 -1.8504 -1.8077 -1.8077 -1.8066 -1.8066 -0.0586 -0.0586 0.0601 0.0601 0.2295 0.2295 0.2351 0.2351 0.2735 0.2735 0.2813 0.2813 0.4735 0.4735 0.4897 0.4897 1.8624 1.8624 2.2250 2.2250 5.7353 5.7353 6.4601 6.4601 7.4853 7.4853 7.9361 7.9361 8.1750 8.1750 8.2159 8.2159 8.8933 8.8933 9.2075 9.2075 11.0455 11.0455 11.1699 11.1699 11.1942 11.1942 11.4251 11.4251 11.7432 11.7432 11.7666 11.7666 12.3573 12.3573 12.7094 12.7094 k = 0.1111 0.0642-0.0000 ( 5825 PWs) bands (ev): -1.8494 -1.8494 -1.8493 -1.8493 -1.8061 -1.8061 -1.8051 -1.8051 -0.0367 -0.0367 0.0720 0.0720 0.2299 0.2299 0.2364 0.2364 0.2810 0.2810 0.2908 0.2908 0.4700 0.4700 0.4897 0.4897 1.8953 1.8953 2.2431 2.2431 5.7801 5.7801 6.4945 6.4945 7.4254 7.4254 7.9056 7.9056 8.1844 8.1844 8.2239 8.2239 8.9298 8.9298 9.2202 9.2202 11.0172 11.0172 11.1107 11.1107 11.1544 11.1544 11.4431 11.4431 11.7730 11.7730 11.7996 11.7996 12.2870 12.2870 12.6947 12.6947 k = 0.1204 0.0695-0.0000 ( 5815 PWs) bands (ev): -1.8483 -1.8483 -1.8481 -1.8481 -1.8044 -1.8044 -1.8034 -1.8034 -0.0136 -0.0136 0.0844 0.0844 0.2305 0.2305 0.2377 0.2377 0.2890 0.2890 0.3011 0.3011 0.4666 0.4666 0.4901 0.4901 1.9312 1.9312 2.2635 2.2635 5.8279 5.8279 6.5314 6.5314 7.3676 7.3676 7.8737 7.8737 8.1940 8.1940 8.2322 8.2322 8.9583 8.9583 9.2379 9.2379 10.9682 10.9682 11.0454 11.0454 11.1337 11.1337 11.4642 11.4642 11.8041 11.8041 11.8349 11.8349 12.2156 12.2156 12.6835 12.6835 k = 0.1296 0.0748-0.0000 ( 5823 PWs) bands (ev): -1.8472 -1.8472 -1.8471 -1.8471 -1.8027 -1.8027 -1.8016 -1.8016 0.0106 0.0106 0.0971 0.0971 0.2310 0.2310 0.2391 0.2391 0.2972 0.2972 0.3120 0.3120 0.4632 0.4632 0.4909 0.4909 1.9704 1.9704 2.2862 2.2862 5.8786 5.8786 6.5705 6.5705 7.3122 7.3122 7.8407 7.8407 8.2037 8.2037 8.2406 8.2406 8.9786 8.9786 9.2605 9.2605 10.9057 10.9057 10.9758 10.9758 11.1247 11.1247 11.4880 11.4880 11.8361 11.8361 11.8723 11.8723 12.1434 12.1434 12.6763 12.6763 k = 0.1389 0.0802-0.0000 ( 5835 PWs) bands (ev): -1.8462 -1.8462 -1.8461 -1.8461 -1.8010 -1.8010 -1.7998 -1.7998 0.0354 0.0354 0.1101 0.1101 0.2316 0.2316 0.2404 0.2404 0.3057 0.3057 0.3235 0.3235 0.4600 0.4600 0.4923 0.4923 2.0127 2.0127 2.3115 2.3115 5.9317 5.9317 6.6116 6.6116 7.2594 7.2594 7.8067 7.8067 8.2135 8.2135 8.2490 8.2490 8.9915 8.9915 9.2872 9.2872 10.8364 10.8364 10.9036 10.9036 11.1200 11.1200 11.5142 11.5142 11.8685 11.8685 11.9112 11.9112 12.0712 12.0712 12.6737 12.6737 k = 0.1481 0.0855-0.0000 ( 5837 PWs) bands (ev): -1.8453 -1.8453 -1.8451 -1.8451 -1.7993 -1.7993 -1.7978 -1.7978 0.0607 0.0607 0.1234 0.1234 0.2322 0.2322 0.2417 0.2417 0.3142 0.3142 0.3357 0.3357 0.4572 0.4572 0.4943 0.4943 2.0582 2.0582 2.3395 2.3395 5.9869 5.9869 6.6547 6.6547 7.2096 7.2096 7.7721 7.7721 8.2232 8.2232 8.2573 8.2573 8.9984 8.9984 9.3163 9.3163 10.7635 10.7635 10.8297 10.8297 11.1164 11.1164 11.5426 11.5426 11.9008 11.9008 11.9488 11.9488 12.0021 12.0021 12.6723 12.6724 k = 0.1574 0.0909-0.0000 ( 5825 PWs) bands (ev): -1.8444 -1.8444 -1.8442 -1.8442 -1.7975 -1.7975 -1.7958 -1.7958 0.0860 0.0860 0.1370 0.1370 0.2329 0.2329 0.2430 0.2430 0.3227 0.3227 0.3484 0.3484 0.4549 0.4549 0.4971 0.4971 2.1069 2.1069 2.3704 2.3704 6.0436 6.0436 6.6993 6.6993 7.1634 7.1634 7.7370 7.7370 8.2327 8.2327 8.2655 8.2655 9.0006 9.0006 9.3464 9.3464 10.6886 10.6886 10.7549 10.7549 11.1123 11.1123 11.5728 11.5728 11.9197 11.9197 11.9337 11.9337 12.0009 12.0009 12.6619 12.6619 k = 0.1667 0.0962-0.0000 ( 5819 PWs) bands (ev): -1.8436 -1.8436 -1.8434 -1.8434 -1.7958 -1.7958 -1.7937 -1.7937 0.1104 0.1104 0.1513 0.1513 0.2336 0.2336 0.2443 0.2443 0.3310 0.3310 0.3617 0.3617 0.4533 0.4533 0.5008 0.5008 2.1589 2.1589 2.4045 2.4045 6.1011 6.1011 6.7453 6.7453 7.1213 7.1213 7.7017 7.7017 8.2419 8.2419 8.2734 8.2734 8.9993 8.9993 9.3761 9.3761 10.6128 10.6128 10.6797 10.6797 11.1068 11.1068 11.6034 11.6034 11.8520 11.8520 11.9642 11.9642 12.0436 12.0436 12.6515 12.6515 k = 0.1759 0.1016-0.0000 ( 5827 PWs) bands (ev): -1.8429 -1.8429 -1.8427 -1.8427 -1.7941 -1.7941 -1.7918 -1.7918 0.1328 0.1328 0.1668 0.1668 0.2343 0.2343 0.2455 0.2455 0.3391 0.3391 0.3754 0.3754 0.4526 0.4526 0.5055 0.5055 2.2141 2.2141 2.4418 2.4418 6.1585 6.1585 6.7922 6.7922 7.0841 7.0841 7.6665 7.6665 8.2506 8.2506 8.2810 8.2810 8.9954 8.9954 9.4044 9.4044 10.5365 10.5365 10.6048 10.6048 11.0991 11.0991 11.6292 11.6292 11.7895 11.7895 11.9944 11.9944 12.0892 12.0892 12.6435 12.6435 k = 0.1852 0.1069-0.0000 ( 5837 PWs) bands (ev): -1.8423 -1.8423 -1.8422 -1.8422 -1.7925 -1.7925 -1.7898 -1.7898 0.1518 0.1518 0.1844 0.1844 0.2350 0.2350 0.2469 0.2469 0.3468 0.3468 0.3894 0.3894 0.4530 0.4530 0.5114 0.5114 2.2725 2.2725 2.4827 2.4827 6.2147 6.2147 6.8397 6.8397 7.0529 7.0529 7.6318 7.6318 8.2587 8.2587 8.2882 8.2882 8.9895 8.9895 9.4308 9.4308 10.4604 10.4604 10.5306 10.5306 11.0887 11.0887 11.6292 11.6292 11.7552 11.7552 12.0237 12.0237 12.1363 12.1363 12.6381 12.6381 k = 0.1944 0.1123-0.0000 ( 5826 PWs) bands (ev): -1.8418 -1.8418 -1.8417 -1.8417 -1.7909 -1.7909 -1.7879 -1.7879 0.1670 0.1670 0.2032 0.2032 0.2357 0.2357 0.2490 0.2490 0.3543 0.3543 0.4038 0.4038 0.4549 0.4549 0.5185 0.5185 2.3341 2.3341 2.5274 2.5274 6.2682 6.2682 6.8872 6.8872 7.0290 7.0290 7.5978 7.5978 8.2662 8.2662 8.2948 8.2948 8.9821 8.9821 9.4549 9.4549 10.3848 10.3848 10.4575 10.4575 11.0747 11.0747 11.5828 11.5828 11.7697 11.7697 12.0520 12.0520 12.1848 12.1848 12.6354 12.6354 k = 0.2037 0.1176-0.0000 ( 5820 PWs) bands (ev): -1.8414 -1.8414 -1.8413 -1.8413 -1.7893 -1.7893 -1.7861 -1.7861 0.1795 0.1795 0.2198 0.2198 0.2365 0.2365 0.2535 0.2535 0.3617 0.3617 0.4183 0.4183 0.4583 0.4583 0.5268 0.5268 2.3987 2.3987 2.5761 2.5761 6.3169 6.3169 6.9342 6.9342 7.0141 7.0141 7.5652 7.5652 8.2729 8.2729 8.3009 8.3009 8.9735 8.9735 9.4764 9.4764 10.3100 10.3100 10.3858 10.3858 11.0566 11.0566 11.5156 11.5156 11.8078 11.8078 12.0798 12.0798 12.2346 12.2346 12.6352 12.6352 k = 0.2130 0.1230-0.0000 ( 5818 PWs) bands (ev): -1.8412 -1.8412 -1.8410 -1.8410 -1.7879 -1.7879 -1.7844 -1.7844 0.1901 0.1901 0.2295 0.2295 0.2376 0.2376 0.2631 0.2631 0.3696 0.3696 0.4327 0.4327 0.4635 0.4635 0.5365 0.5365 2.4663 2.4663 2.6290 2.6290 6.3589 6.3589 6.9792 6.9792 7.0105 7.0105 7.5344 7.5344 8.2788 8.2788 8.3063 8.3063 8.9640 8.9640 9.4951 9.4951 10.2363 10.2363 10.3158 10.3158 11.0337 11.0337 11.4422 11.4422 11.8546 11.8546 12.1073 12.1073 12.2855 12.2855 12.6376 12.6376 k = 0.2222 0.1283-0.0000 ( 5820 PWs) bands (ev): -1.8410 -1.8410 -1.8408 -1.8408 -1.7866 -1.7866 -1.7828 -1.7828 0.1991 0.1991 0.2330 0.2330 0.2386 0.2386 0.2763 0.2763 0.3787 0.3787 0.4464 0.4464 0.4710 0.4710 0.5475 0.5475 2.5369 2.5369 2.6864 2.6864 6.3922 6.3922 7.0140 7.0140 7.0270 7.0270 7.5067 7.5067 8.2838 8.2838 8.3110 8.3110 8.9538 8.9538 9.5111 9.5111 10.1639 10.1639 10.2479 10.2479 11.0050 11.0050 11.3663 11.3663 11.9062 11.9062 12.1350 12.1350 12.3377 12.3377 12.6425 12.6425 k = 0.2315 0.1336-0.0000 ( 5816 PWs) bands (ev): -1.8409 -1.8409 -1.8408 -1.8408 -1.7853 -1.7853 -1.7814 -1.7814 0.2065 0.2065 0.2344 0.2344 0.2392 0.2392 0.2890 0.2890 0.3895 0.3895 0.4589 0.4589 0.4813 0.4813 0.5596 0.5596 2.6102 2.6102 2.7485 2.7485 6.4155 6.4155 7.0374 7.0374 7.0641 7.0641 7.4833 7.4833 8.2878 8.2878 8.3151 8.3151 8.9432 8.9432 9.5244 9.5244 10.0931 10.0931 10.1823 10.1823 10.9698 10.9698 11.2888 11.2888 11.9615 11.9615 12.1633 12.1633 12.3912 12.3912 12.6498 12.6498 k = 0.2407 0.1390-0.0000 ( 5824 PWs) bands (ev): -1.8410 -1.8410 -1.8408 -1.8408 -1.7842 -1.7842 -1.7801 -1.7801 0.2117 0.2117 0.2350 0.2350 0.2401 0.2401 0.2990 0.2990 0.4021 0.4021 0.4697 0.4697 0.4947 0.4947 0.5727 0.5727 2.6861 2.6861 2.8154 2.8154 6.4290 6.4290 7.0701 7.0701 7.0980 7.0980 7.4665 7.4665 8.2909 8.2909 8.3184 8.3184 8.9323 8.9323 9.5351 9.5351 10.0240 10.0240 10.1192 10.1192 10.9273 10.9273 11.2099 11.2099 12.0198 12.0198 12.1927 12.1927 12.4459 12.4459 12.6596 12.6596 k = 0.2500 0.1443-0.0000 ( 5830 PWs) bands (ev): -1.8412 -1.8412 -1.8410 -1.8410 -1.7832 -1.7832 -1.7789 -1.7789 0.2145 0.2145 0.2345 0.2345 0.2429 0.2429 0.3062 0.3062 0.4162 0.4162 0.4793 0.4793 0.5106 0.5106 0.5867 0.5867 2.7645 2.7645 2.8874 2.8874 6.4342 6.4342 7.1052 7.1052 7.1311 7.1311 7.4585 7.4585 8.2930 8.2930 8.3209 8.3209 8.9215 8.9215 9.5433 9.5433 9.9568 9.9568 10.0588 10.0588 10.8768 10.8768 11.1295 11.1295 12.0807 12.0807 12.2234 12.2234 12.5020 12.5020 12.6718 12.6718 k = 0.2593 0.1497-0.0000 ( 5834 PWs) bands (ev): -1.8414 -1.8414 -1.8412 -1.8412 -1.7823 -1.7823 -1.7779 -1.7779 0.2151 0.2151 0.2331 0.2331 0.2474 0.2474 0.3112 0.3112 0.4311 0.4311 0.4883 0.4883 0.5282 0.5282 0.6013 0.6013 2.8453 2.8453 2.9644 2.9644 6.4328 6.4328 7.1224 7.1224 7.1789 7.1789 7.4616 7.4616 8.2941 8.2941 8.3227 8.3227 8.9112 8.9112 9.5490 9.5490 9.8916 9.8916 10.0014 10.0014 10.8178 10.8178 11.0473 11.0473 12.1437 12.1437 12.2560 12.2560 12.5595 12.5595 12.6864 12.6864 k = 0.2685 0.1550-0.0000 ( 5846 PWs) bands (ev): -1.8417 -1.8417 -1.8416 -1.8416 -1.7816 -1.7816 -1.7771 -1.7771 0.2140 0.2140 0.2309 0.2309 0.2528 0.2528 0.3147 0.3147 0.4459 0.4459 0.4972 0.4972 0.5470 0.5470 0.6164 0.6164 2.9286 2.9286 3.0465 3.0465 6.4270 6.4270 7.1228 7.1228 7.2373 7.2373 7.4756 7.4756 8.2943 8.2943 8.3238 8.3238 8.9016 8.9016 9.5522 9.5522 9.8285 9.8285 9.9471 9.9471 10.7500 10.7500 10.9626 10.9626 12.2078 12.2078 12.2911 12.2911 12.6179 12.6179 12.7037 12.7037 k = 0.2778 0.1604-0.0000 ( 5836 PWs) bands (ev): -1.8421 -1.8421 -1.8420 -1.8420 -1.7809 -1.7809 -1.7765 -1.7765 0.2119 0.2119 0.2283 0.2283 0.2587 0.2587 0.3172 0.3172 0.4603 0.4603 0.5060 0.5060 0.5666 0.5666 0.6317 0.6317 3.0145 3.0145 3.1334 3.1334 6.4185 6.4185 7.1120 7.1120 7.3003 7.3003 7.4987 7.4987 8.2935 8.2935 8.3242 8.3242 8.8931 8.8931 9.5530 9.5530 9.7675 9.7675 9.8960 9.8960 10.6738 10.6738 10.8750 10.8750 12.2714 12.2714 12.3301 12.3301 12.6763 12.6763 12.7248 12.7248 k = 0.2870 0.1657-0.0000 ( 5836 PWs) bands (ev): -1.8426 -1.8426 -1.8424 -1.8424 -1.7804 -1.7804 -1.7759 -1.7759 0.2091 0.2091 0.2252 0.2252 0.2646 0.2646 0.3191 0.3191 0.4740 0.4740 0.5148 0.5148 0.5868 0.5868 0.6470 0.6470 3.1030 3.1030 3.2250 3.2250 6.4083 6.4083 7.0932 7.0932 7.3652 7.3652 7.5276 7.5276 8.2918 8.2918 8.3239 8.3239 8.8863 8.8863 9.5511 9.5511 9.7087 9.7087 9.8484 9.8484 10.5897 10.5897 10.7835 10.7835 12.3300 12.3300 12.3771 12.3771 12.7264 12.7264 12.7579 12.7579 k = 0.2963 0.1711-0.0000 ( 5840 PWs) bands (ev): -1.8432 -1.8432 -1.8430 -1.8430 -1.7801 -1.7801 -1.7756 -1.7756 0.2059 0.2059 0.2216 0.2216 0.2705 0.2705 0.3207 0.3207 0.4870 0.4870 0.5235 0.5235 0.6072 0.6072 0.6621 0.6621 3.1944 3.1944 3.3209 3.3209 6.3974 6.3974 7.0692 7.0692 7.4301 7.4301 7.5597 7.5597 8.2893 8.2893 8.3230 8.3230 8.8816 8.8816 9.5463 9.5463 9.6521 9.6521 9.8043 9.8043 10.4984 10.4984 10.6878 10.6878 12.3789 12.3789 12.4361 12.4361 12.7577 12.7577 12.8134 12.8134 k = 0.3056 0.1764-0.0000 ( 5840 PWs) bands (ev): -1.8438 -1.8438 -1.8436 -1.8436 -1.7799 -1.7799 -1.7754 -1.7754 0.2024 0.2024 0.2178 0.2178 0.2761 0.2761 0.3222 0.3222 0.4992 0.4992 0.5322 0.5322 0.6276 0.6276 0.6771 0.6771 3.2888 3.2888 3.4208 3.4208 6.3865 6.3865 7.0417 7.0417 7.4935 7.4935 7.5929 7.5929 8.2861 8.2861 8.3215 8.3215 8.8794 8.8794 9.5382 9.5382 9.5978 9.5978 9.7634 9.7634 10.4012 10.4012 10.5877 10.5877 12.4221 12.4221 12.5027 12.5027 12.7847 12.7847 12.8770 12.8770 k = 0.3148 0.1818-0.0000 ( 5836 PWs) bands (ev): -1.8444 -1.8444 -1.8443 -1.8443 -1.7797 -1.7797 -1.7753 -1.7753 0.1987 0.1987 0.2137 0.2137 0.2816 0.2816 0.3235 0.3235 0.5107 0.5107 0.5407 0.5407 0.6477 0.6477 0.6917 0.6917 3.3862 3.3862 3.5243 3.5243 6.3760 6.3760 7.0117 7.0117 7.5539 7.5539 7.6261 7.6261 8.2821 8.2821 8.3195 8.3195 8.8802 8.8802 9.5253 9.5253 9.5470 9.5470 9.7254 9.7254 10.2997 10.2997 10.4832 10.4832 12.4635 12.4635 12.5720 12.5720 12.8128 12.8128 12.9432 12.9432 k = 0.3241 0.1871-0.0000 ( 5840 PWs) bands (ev): -1.8452 -1.8452 -1.8450 -1.8450 -1.7797 -1.7797 -1.7753 -1.7753 0.1949 0.1949 0.2094 0.2094 0.2868 0.2868 0.3248 0.3248 0.5216 0.5216 0.5491 0.5491 0.6674 0.6674 0.7058 0.7058 3.4866 3.4866 3.6313 3.6313 6.3661 6.3661 6.9798 6.9798 7.6103 7.6103 7.6582 7.6582 8.2775 8.2775 8.3171 8.3171 8.8842 8.8842 9.4907 9.4907 9.5161 9.5161 9.6885 9.6885 10.1965 10.1965 10.3751 10.3751 12.5045 12.5045 12.6418 12.6418 12.8431 12.8431 13.0110 13.0110 k = 0.3333 0.1925-0.0000 ( 5830 PWs) bands (ev): -1.8459 -1.8459 -1.8458 -1.8458 -1.7798 -1.7798 -1.7755 -1.7755 0.1910 0.1910 0.2049 0.2049 0.2918 0.2918 0.3262 0.3262 0.5319 0.5319 0.5573 0.5573 0.6865 0.6865 0.7194 0.7194 3.5901 3.5901 3.7414 3.7414 6.3569 6.3569 6.9465 6.9465 7.6616 7.6616 7.6887 7.6887 8.2724 8.2724 8.3142 8.3142 8.8915 8.8915 9.4424 9.4424 9.4969 9.4969 9.6501 9.6501 10.0953 10.0953 10.2644 10.2644 12.5452 12.5452 12.7105 12.7105 12.8763 12.8763 13.0799 13.0799 k = 0.3426 0.1978-0.0000 ( 5834 PWs) bands (ev): -1.8467 -1.8467 -1.8466 -1.8466 -1.7799 -1.7799 -1.7758 -1.7758 0.1871 0.1871 0.2004 0.2004 0.2964 0.2964 0.3274 0.3274 0.5416 0.5416 0.5653 0.5653 0.7048 0.7048 0.7325 0.7325 3.6966 3.6966 3.8544 3.8544 6.3487 6.3487 6.9119 6.9119 7.7069 7.7069 7.7174 7.7174 8.2668 8.2668 8.3110 8.3110 8.9018 8.9018 9.3939 9.3939 9.4746 9.4746 9.6061 9.6061 10.0021 10.0021 10.1526 10.1526 12.5854 12.5854 12.7765 12.7765 12.9136 12.9136 13.1498 13.1498 k = 0.3519 0.2031-0.0000 ( 5834 PWs) bands (ev): -1.8475 -1.8475 -1.8474 -1.8474 -1.7802 -1.7802 -1.7762 -1.7762 0.1833 0.1833 0.1958 0.1958 0.3007 0.3007 0.3288 0.3288 0.5508 0.5508 0.5731 0.5731 0.7223 0.7223 0.7451 0.7451 3.8059 3.8059 3.9699 3.9699 6.3413 6.3413 6.8758 6.8758 7.7415 7.7415 7.7483 7.7483 8.2609 8.2609 8.3075 8.3075 8.9140 8.9140 9.3449 9.3449 9.4452 9.4452 9.5543 9.5543 9.9241 9.9241 10.0416 10.0416 12.6249 12.6249 12.8378 12.8378 12.9562 12.9562 13.2202 13.2202 k = 0.3611 0.2085-0.0000 ( 5836 PWs) bands (ev): -1.8483 -1.8483 -1.8482 -1.8482 -1.7805 -1.7805 -1.7766 -1.7766 0.1796 0.1796 0.1913 0.1913 0.3047 0.3047 0.3301 0.3301 0.5594 0.5594 0.5807 0.5807 0.7386 0.7386 0.7573 0.7573 3.9177 3.9177 4.0876 4.0876 6.3349 6.3349 6.8383 6.8383 7.7659 7.7659 7.7808 7.7808 8.2547 8.2547 8.3038 8.3038 8.9266 8.9266 9.2932 9.2932 9.3983 9.3983 9.5032 9.5032 9.8660 9.8660 9.9342 9.9342 12.6632 12.6632 12.8924 12.8924 13.0056 13.0056 13.2909 13.2909 k = 0.3704 0.2138-0.0000 ( 5838 PWs) bands (ev): -1.8491 -1.8491 -1.8490 -1.8490 -1.7808 -1.7808 -1.7771 -1.7771 0.1759 0.1759 0.1869 0.1869 0.3083 0.3083 0.3315 0.3315 0.5675 0.5675 0.5880 0.5880 0.7535 0.7535 0.7692 0.7692 4.0321 4.0321 4.2072 4.2072 6.3293 6.3293 6.7991 6.7991 7.7870 7.7870 7.8078 7.8078 8.2484 8.2484 8.3000 8.3000 8.9367 8.9367 9.2326 9.2326 9.3281 9.3281 9.4667 9.4667 9.8267 9.8267 9.8342 9.8342 12.7000 12.7000 12.9402 12.9402 13.0612 13.0612 13.3615 13.3615 k = 0.3796 0.2192-0.0000 ( 5844 PWs) bands (ev): -1.8499 -1.8499 -1.8498 -1.8498 -1.7812 -1.7812 -1.7777 -1.7777 0.1724 0.1724 0.1825 0.1825 0.3115 0.3115 0.3329 0.3329 0.5751 0.5751 0.5949 0.5949 0.7666 0.7666 0.7812 0.7812 4.1485 4.1485 4.3284 4.3284 6.3246 6.3246 6.7580 6.7580 7.8055 7.8055 7.8291 7.8291 8.2419 8.2419 8.2961 8.2961 8.9383 8.9383 9.1521 9.1521 9.2571 9.2571 9.4401 9.4401 9.7466 9.7466 9.8013 9.8013 12.7350 12.7350 12.9825 12.9825 13.1207 13.1207 13.4315 13.4315 k = 0.3889 0.2245-0.0000 ( 5854 PWs) bands (ev): -1.8507 -1.8507 -1.8506 -1.8506 -1.7816 -1.7816 -1.7783 -1.7783 0.1691 0.1691 0.1784 0.1784 0.3143 0.3143 0.3344 0.3344 0.5822 0.5822 0.6016 0.6016 0.7780 0.7780 0.7932 0.7932 4.2668 4.2668 4.4505 4.4505 6.3206 6.3206 6.7146 6.7146 7.8213 7.8213 7.8454 7.8454 8.2355 8.2355 8.2922 8.2922 8.9168 8.9168 9.0601 9.0601 9.2005 9.2005 9.4143 9.4143 9.6784 9.6784 9.7848 9.7848 12.7679 12.7679 13.0214 13.0214 13.1816 13.1816 13.5007 13.5007 k = 0.3981 0.2299-0.0000 ( 5862 PWs) bands (ev): -1.8514 -1.8514 -1.8514 -1.8514 -1.7821 -1.7821 -1.7790 -1.7790 0.1660 0.1660 0.1744 0.1744 0.3166 0.3166 0.3359 0.3359 0.5887 0.5887 0.6078 0.6078 0.7876 0.7876 0.8051 0.8051 4.3865 4.3865 4.5731 4.5731 6.3174 6.3174 6.6685 6.6685 7.8345 7.8345 7.8572 7.8572 8.2291 8.2291 8.2883 8.2883 8.8437 8.8437 8.9910 8.9910 9.1567 9.1567 9.3838 9.3838 9.6350 9.6350 9.7740 9.7740 12.7983 12.7983 13.0577 13.0577 13.2418 13.2418 13.5685 13.5685 k = 0.4074 0.2352-0.0000 ( 5852 PWs) bands (ev): -1.8521 -1.8521 -1.8521 -1.8521 -1.7824 -1.7824 -1.7796 -1.7796 0.1631 0.1631 0.1707 0.1707 0.3185 0.3185 0.3376 0.3376 0.5947 0.5947 0.6137 0.6137 0.7960 0.7960 0.8165 0.8165 4.5072 4.5072 4.6955 4.6955 6.3147 6.3147 6.6193 6.6193 7.8449 7.8449 7.8654 7.8654 8.2228 8.2228 8.2845 8.2845 8.7289 8.7289 8.9377 8.9377 9.1265 9.1265 9.3491 9.3491 9.6162 9.6162 9.7670 9.7670 12.8261 12.8261 13.0918 13.0918 13.3002 13.3002 13.6344 13.6344 k = 0.4167 0.2406-0.0000 ( 5848 PWs) bands (ev): -1.8528 -1.8528 -1.8527 -1.8527 -1.7828 -1.7828 -1.7802 -1.7802 0.1605 0.1605 0.1673 0.1673 0.3201 0.3201 0.3392 0.3392 0.6002 0.6002 0.6191 0.6191 0.8033 0.8033 0.8272 0.8272 4.6284 4.6284 4.8168 4.8168 6.3125 6.3125 6.5665 6.5665 7.8525 7.8525 7.8705 7.8705 8.2166 8.2166 8.2809 8.2809 8.6021 8.6021 8.8773 8.8773 9.1083 9.1083 9.3141 9.3141 9.6158 9.6158 9.7626 9.7626 12.8510 12.8510 13.1238 13.1238 13.3558 13.3558 13.6979 13.6979 k = 0.4259 0.2459-0.0000 ( 5848 PWs) bands (ev): -1.8534 -1.8534 -1.8533 -1.8533 -1.7832 -1.7832 -1.7808 -1.7808 0.1581 0.1581 0.1641 0.1641 0.3213 0.3213 0.3408 0.3408 0.6051 0.6051 0.6240 0.6240 0.8096 0.8096 0.8369 0.8369 4.7492 4.7492 4.9360 4.9360 6.3107 6.3107 6.5100 6.5100 7.8566 7.8566 7.8733 7.8733 8.2103 8.2103 8.2775 8.2775 8.4754 8.4754 8.8096 8.8096 9.0971 9.0971 9.2824 9.2824 9.6268 9.6268 9.7601 9.7601 12.8730 12.8730 13.1536 13.1536 13.4077 13.4077 13.7584 13.7584 k = 0.4352 0.2513-0.0000 ( 5842 PWs) bands (ev): -1.8540 -1.8540 -1.8539 -1.8539 -1.7835 -1.7835 -1.7814 -1.7814 0.1560 0.1560 0.1612 0.1612 0.3222 0.3222 0.3423 0.3423 0.6095 0.6095 0.6285 0.6285 0.8151 0.8151 0.8456 0.8456 4.8689 4.8689 5.0518 5.0518 6.3090 6.3090 6.4495 6.4495 7.8565 7.8565 7.8743 7.8743 8.2032 8.2032 8.2741 8.2741 8.3555 8.3555 8.7403 8.7403 9.0891 9.0891 9.2553 9.2553 9.6438 9.6438 9.7590 9.7590 12.8921 12.8921 13.1807 13.1807 13.4554 13.4554 13.8153 13.8154 k = 0.4444 0.2566-0.0000 ( 5852 PWs) bands (ev): -1.8545 -1.8545 -1.8544 -1.8544 -1.7839 -1.7839 -1.7819 -1.7819 0.1542 0.1542 0.1586 0.1586 0.3230 0.3230 0.3437 0.3437 0.6132 0.6132 0.6324 0.6324 0.8197 0.8197 0.8532 0.8532 4.9862 4.9862 5.1626 5.1626 6.3069 6.3069 6.3855 6.3855 7.8503 7.8503 7.8740 7.8740 8.1901 8.1901 8.2502 8.2502 8.2737 8.2737 8.6740 8.6740 9.0825 9.0825 9.2326 9.2326 9.6630 9.6630 9.7594 9.7594 12.9083 12.9083 13.2050 13.2050 13.4981 13.4981 13.8640 13.8676 k = 0.4537 0.2619-0.0000 ( 5854 PWs) bands (ev): -1.8550 -1.8550 -1.8548 -1.8548 -1.7841 -1.7841 -1.7824 -1.7824 0.1527 0.1527 0.1564 0.1564 0.3235 0.3235 0.3450 0.3450 0.6165 0.6165 0.6357 0.6357 0.8236 0.8236 0.8597 0.8597 5.0993 5.0993 5.2667 5.2667 6.2968 6.2968 6.3260 6.3260 7.8351 7.8351 7.8729 7.8729 8.1359 8.1359 8.2075 8.2075 8.2699 8.2699 8.6140 8.6140 9.0769 9.0769 9.2142 9.2142 9.6815 9.6815 9.7612 9.7612 12.9216 12.9216 13.2262 13.2262 13.5355 13.5355 13.8663 13.8685 k = 0.4630 0.2673-0.0000 ( 5850 PWs) bands (ev): -1.8553 -1.8553 -1.8552 -1.8552 -1.7843 -1.7843 -1.7828 -1.7828 0.1516 0.1516 0.1545 0.1545 0.3239 0.3239 0.3461 0.3461 0.6191 0.6191 0.6385 0.6385 0.8268 0.8268 0.8650 0.8650 5.2052 5.2052 5.3622 5.3622 6.2390 6.2390 6.3116 6.3116 7.8075 7.8075 7.8714 7.8714 8.0711 8.0711 8.1986 8.1986 8.2676 8.2676 8.5628 8.5628 9.0722 9.0722 9.1997 9.1997 9.6971 9.6971 9.7644 9.7644 12.9322 12.9322 13.2440 13.2440 13.5668 13.5668 13.8767 13.8767 k = 0.4722 0.2726-0.0000 ( 5846 PWs) bands (ev): -1.8556 -1.8556 -1.8555 -1.8555 -1.7845 -1.7845 -1.7832 -1.7832 0.1507 0.1507 0.1529 0.1529 0.3242 0.3242 0.3469 0.3469 0.6212 0.6212 0.6407 0.6407 0.8292 0.8292 0.8692 0.8692 5.2995 5.2995 5.4472 5.4472 6.1684 6.1684 6.3098 6.3098 7.7696 7.7696 7.8698 7.8698 8.0285 8.0285 8.1939 8.1939 8.2659 8.2659 8.5218 8.5218 9.0683 9.0683 9.1886 9.1886 9.7087 9.7087 9.7690 9.7690 12.9403 12.9403 13.2581 13.2581 13.5918 13.5918 13.8851 13.8851 k = 0.4815 0.2780-0.0000 ( 5846 PWs) bands (ev): -1.8558 -1.8558 -1.8557 -1.8557 -1.7845 -1.7845 -1.7835 -1.7835 0.1502 0.1502 0.1517 0.1517 0.3243 0.3243 0.3475 0.3475 0.6227 0.6227 0.6423 0.6423 0.8309 0.8309 0.8722 0.8722 5.3753 5.3753 5.5194 5.5194 6.1015 6.1015 6.3092 6.3092 7.7310 7.7310 7.8684 7.8684 8.0052 8.0052 8.1908 8.1908 8.2647 8.2647 8.4921 8.4921 9.0654 9.0654 9.1809 9.1809 9.7161 9.7161 9.7739 9.7739 12.9459 12.9459 13.2683 13.2683 13.6099 13.6099 13.8913 13.8913 k = 0.4907 0.2833-0.0000 ( 5856 PWs) bands (ev): -1.8560 -1.8560 -1.8558 -1.8558 -1.7846 -1.7846 -1.7837 -1.7837 0.1500 0.1500 0.1508 0.1508 0.3244 0.3244 0.3479 0.3479 0.6236 0.6236 0.6432 0.6432 0.8320 0.8320 0.8740 0.8740 5.4244 5.4244 5.5727 5.5727 6.0494 6.0494 6.3090 6.3090 7.7030 7.7030 7.8675 7.8675 7.9943 7.9943 8.1889 8.1889 8.2640 8.2640 8.4741 8.4741 9.0637 9.0637 9.1763 9.1763 9.7200 9.7200 9.7776 9.7776 12.9493 12.9493 13.2745 13.2745 13.6208 13.6208 13.8951 13.8951 k = 0.5000 0.2887-0.0000 ( 5860 PWs) bands (ev): -1.8560 -1.8560 -1.8558 -1.8558 -1.7846 -1.7846 -1.7837 -1.7837 0.1502 0.1502 0.1502 0.1502 0.3245 0.3245 0.3480 0.3480 0.6239 0.6239 0.6435 0.6435 0.8323 0.8323 0.8746 0.8746 5.4414 5.4414 5.5936 5.5936 6.0286 6.0286 6.3089 6.3089 7.6928 7.6928 7.8671 7.8671 7.9910 7.9910 8.1882 8.1882 8.2637 8.2637 8.4681 8.4681 9.0631 9.0631 9.1748 9.1748 9.7212 9.7212 9.7790 9.7790 12.9504 12.9504 13.2766 13.2766 13.6245 13.6245 13.8964 13.8964 k = 0.5000 0.2887-0.0000 ( 5860 PWs) bands (ev): -1.8560 -1.8560 -1.8558 -1.8558 -1.7846 -1.7846 -1.7837 -1.7837 0.1502 0.1502 0.1502 0.1502 0.3245 0.3245 0.3480 0.3480 0.6239 0.6239 0.6435 0.6435 0.8323 0.8323 0.8746 0.8746 5.4414 5.4414 5.5936 5.5936 6.0286 6.0286 6.3089 6.3089 7.6928 7.6928 7.8671 7.8671 7.9910 7.9910 8.1882 8.1882 8.2637 8.2637 8.4681 8.4681 9.0631 9.0631 9.1748 9.1748 9.7212 9.7212 9.7790 9.7790 12.9504 12.9504 13.2766 13.2766 13.6245 13.6245 13.8964 13.8964 k = 0.4948 0.2977-0.0000 ( 5868 PWs) bands (ev): -1.8562 -1.8562 -1.8552 -1.8552 -1.7846 -1.7846 -1.7837 -1.7837 0.1501 0.1501 0.1506 0.1506 0.3246 0.3246 0.3480 0.3480 0.6234 0.6234 0.6431 0.6431 0.8327 0.8327 0.8747 0.8747 5.4425 5.4425 5.5939 5.5939 6.0301 6.0301 6.3104 6.3104 7.6934 7.6934 7.8675 7.8675 7.9911 7.9911 8.1880 8.1880 8.2599 8.2599 8.4691 8.4691 9.0661 9.0661 9.1775 9.1775 9.7233 9.7233 9.7788 9.7788 12.9376 12.9376 13.2735 13.2735 13.6234 13.6234 13.8781 13.8781 k = 0.4896 0.3067-0.0000 ( 5866 PWs) bands (ev): -1.8561 -1.8561 -1.8542 -1.8542 -1.7846 -1.7846 -1.7836 -1.7836 0.1502 0.1502 0.1514 0.1514 0.3249 0.3249 0.3480 0.3480 0.6222 0.6222 0.6419 0.6419 0.8336 0.8336 0.8750 0.8750 5.4457 5.4457 5.5946 5.5946 6.0344 6.0344 6.3150 6.3150 7.6952 7.6952 7.8687 7.8687 7.9914 7.9914 8.1873 8.1873 8.2487 8.2487 8.4722 8.4722 9.0749 9.0749 9.1855 9.1855 9.7294 9.7294 9.7783 9.7783 12.9005 12.9005 13.2652 13.2652 13.6197 13.6197 13.8173 13.8173 k = 0.4844 0.3157-0.0000 ( 5860 PWs) bands (ev): -1.8556 -1.8556 -1.8527 -1.8527 -1.7846 -1.7846 -1.7835 -1.7835 0.1507 0.1507 0.1524 0.1524 0.3254 0.3254 0.3480 0.3480 0.6200 0.6200 0.6399 0.6399 0.8353 0.8353 0.8755 0.8755 5.4511 5.4511 5.5958 5.5958 6.0417 6.0417 6.3227 6.3227 7.6981 7.6981 7.8707 7.8707 7.9919 7.9919 8.1863 8.1863 8.2308 8.2308 8.4774 8.4774 9.0889 9.0889 9.1988 9.1988 9.7393 9.7393 9.7776 9.7776 12.8423 12.8423 13.2538 13.2538 13.6116 13.6116 13.7170 13.7170 k = 0.4792 0.3248-0.0000 ( 5864 PWs) bands (ev): -1.8548 -1.8548 -1.8510 -1.8510 -1.7845 -1.7845 -1.7834 -1.7834 0.1514 0.1514 0.1537 0.1537 0.3260 0.3260 0.3481 0.3481 0.6171 0.6171 0.6372 0.6372 0.8375 0.8375 0.8761 0.8761 5.4585 5.4585 5.5976 5.5976 6.0519 6.0519 6.3334 6.3334 7.7018 7.7018 7.8735 7.8735 7.9925 7.9925 8.1845 8.1845 8.2077 8.2077 8.4849 8.4849 9.1074 9.1074 9.2172 9.2172 9.7524 9.7524 9.7772 9.7772 12.7677 12.7677 13.2407 13.2407 13.5871 13.5871 13.6149 13.6149 k = 0.4740 0.3338-0.0000 ( 5848 PWs) bands (ev): -1.8536 -1.8536 -1.8488 -1.8488 -1.7845 -1.7845 -1.7832 -1.7832 0.1526 0.1526 0.1553 0.1553 0.3269 0.3269 0.3481 0.3481 0.6133 0.6133 0.6337 0.6337 0.8403 0.8403 0.8771 0.8771 5.4680 5.4680 5.5999 5.5999 6.0651 6.0651 6.3470 6.3470 7.7062 7.7062 7.8770 7.8770 7.9933 7.9933 8.1735 8.1735 8.1892 8.1892 8.4945 8.4945 9.1293 9.1293 9.2404 9.2404 9.7644 9.7644 9.7812 9.7812 12.6810 12.6810 13.2265 13.2265 13.4895 13.4895 13.5658 13.5659 k = 0.4688 0.3428-0.0000 ( 5840 PWs) bands (ev): -1.8520 -1.8520 -1.8464 -1.8464 -1.7844 -1.7844 -1.7829 -1.7829 0.1540 0.1540 0.1572 0.1572 0.3279 0.3279 0.3482 0.3482 0.6088 0.6088 0.6295 0.6295 0.8437 0.8437 0.8782 0.8782 5.4794 5.4794 5.6027 5.6027 6.0811 6.0811 6.3634 6.3634 7.7109 7.7109 7.8812 7.8812 7.9941 7.9941 8.1430 8.1430 8.1871 8.1871 8.5065 8.5065 9.1539 9.1539 9.2681 9.2681 9.7668 9.7668 9.7978 9.7978 12.5858 12.5858 13.2110 13.2110 13.3813 13.3813 13.4992 13.4992 k = 0.4635 0.3518-0.0000 ( 5836 PWs) bands (ev): -1.8501 -1.8501 -1.8437 -1.8437 -1.7843 -1.7843 -1.7826 -1.7826 0.1558 0.1558 0.1594 0.1594 0.3291 0.3291 0.3483 0.3483 0.6035 0.6035 0.6245 0.6245 0.8475 0.8475 0.8795 0.8795 5.4927 5.4927 5.6062 5.6062 6.1000 6.1000 6.3826 6.3826 7.7154 7.7154 7.8861 7.8861 7.9948 7.9948 8.1080 8.1080 8.1880 8.1880 8.5208 8.5208 9.1802 9.1802 9.3000 9.3000 9.7647 9.7647 9.8217 9.8217 12.4848 12.4848 13.1934 13.1934 13.2764 13.2764 13.4142 13.4142 k = 0.4583 0.3608-0.0000 ( 5850 PWs) bands (ev): -1.8479 -1.8479 -1.8409 -1.8409 -1.7843 -1.7843 -1.7822 -1.7822 0.1578 0.1578 0.1618 0.1618 0.3305 0.3305 0.3485 0.3485 0.5974 0.5974 0.6189 0.6189 0.8517 0.8517 0.8811 0.8811 5.5077 5.5077 5.6103 5.6103 6.1217 6.1217 6.4045 6.4045 7.7194 7.7194 7.8914 7.8914 7.9946 7.9946 8.0717 8.0717 8.1909 8.1909 8.5374 8.5374 9.2078 9.2078 9.3356 9.3356 9.7615 9.7615 9.8493 9.8493 12.3799 12.3799 13.1596 13.1596 13.1897 13.1897 13.3213 13.3213 k = 0.4531 0.3699-0.0000 ( 5846 PWs) bands (ev): -1.8455 -1.8455 -1.8378 -1.8378 -1.7842 -1.7842 -1.7817 -1.7817 0.1603 0.1603 0.1646 0.1646 0.3319 0.3319 0.3486 0.3486 0.5907 0.5907 0.6127 0.6127 0.8564 0.8564 0.8829 0.8829 5.5244 5.5244 5.6150 5.6150 6.1464 6.1464 6.4288 6.4288 7.7222 7.7222 7.8970 7.8970 7.9910 7.9910 8.0378 8.0378 8.1961 8.1961 8.5563 8.5563 9.2360 9.2360 9.3744 9.3744 9.7575 9.7575 9.8800 9.8800 12.2723 12.2723 13.0696 13.0696 13.1586 13.1586 13.2278 13.2278 k = 0.4479 0.3789-0.0000 ( 5850 PWs) bands (ev): -1.8428 -1.8428 -1.8347 -1.8347 -1.7841 -1.7841 -1.7811 -1.7811 0.1631 0.1631 0.1676 0.1676 0.3335 0.3335 0.3488 0.3488 0.5834 0.5834 0.6059 0.6059 0.8613 0.8613 0.8850 0.8850 5.5426 5.5426 5.6205 5.6205 6.1738 6.1738 6.4555 6.4555 7.7233 7.7233 7.9018 7.9018 7.9750 7.9750 8.0172 8.0172 8.2041 8.2041 8.5773 8.5773 9.2643 9.2643 9.4158 9.4158 9.7531 9.7531 9.9134 9.9134 12.1631 12.1631 12.9759 12.9759 13.1039 13.1039 13.1623 13.1623 k = 0.4427 0.3879-0.0000 ( 5848 PWs) bands (ev): -1.8399 -1.8399 -1.8314 -1.8314 -1.7840 -1.7840 -1.7804 -1.7804 0.1663 0.1663 0.1709 0.1709 0.3352 0.3352 0.3491 0.3491 0.5755 0.5755 0.5985 0.5985 0.8665 0.8665 0.8873 0.8873 5.5622 5.5622 5.6268 5.6268 6.2039 6.2039 6.4843 6.4843 7.7221 7.7221 7.9014 7.9014 7.9490 7.9490 8.0121 8.0121 8.2154 8.2154 8.6004 8.6004 9.2923 9.2923 9.4593 9.4593 9.7483 9.7483 9.9493 9.9493 12.0528 12.0528 12.8859 12.8859 13.0083 13.0083 13.1364 13.1364 k = 0.4375 0.3969-0.0000 ( 5856 PWs) bands (ev): -1.8369 -1.8369 -1.8282 -1.8282 -1.7839 -1.7839 -1.7796 -1.7796 0.1698 0.1698 0.1745 0.1745 0.3369 0.3369 0.3495 0.3495 0.5670 0.5670 0.5906 0.5906 0.8719 0.8719 0.8898 0.8898 5.5831 5.5831 5.6339 5.6339 6.2367 6.2367 6.5151 6.5151 7.7181 7.7181 7.8825 7.8825 7.9380 7.9380 8.0116 8.0116 8.2304 8.2304 8.6254 8.6254 9.3197 9.3197 9.5040 9.5040 9.7436 9.7436 9.9873 9.9873 11.9420 11.9420 12.8001 12.8001 12.9059 12.9059 13.1164 13.1164 k = 0.4323 0.4059-0.0000 ( 5852 PWs) bands (ev): -1.8337 -1.8337 -1.8250 -1.8250 -1.7838 -1.7838 -1.7786 -1.7786 0.1737 0.1737 0.1784 0.1784 0.3387 0.3387 0.3499 0.3499 0.5581 0.5581 0.5822 0.5822 0.8775 0.8775 0.8926 0.8926 5.6050 5.6050 5.6420 5.6420 6.2721 6.2721 6.5476 6.5476 7.7106 7.7106 7.8494 7.8494 7.9417 7.9417 8.0123 8.0123 8.2493 8.2493 8.6523 8.6523 9.3459 9.3459 9.5487 9.5487 9.7396 9.7396 10.0274 10.0274 11.8309 11.8309 12.7185 12.7185 12.8026 12.8026 13.0976 13.0976 k = 0.4271 0.4150-0.0000 ( 5846 PWs) bands (ev): -1.8304 -1.8304 -1.8220 -1.8220 -1.7837 -1.7837 -1.7774 -1.7774 0.1780 0.1780 0.1826 0.1826 0.3406 0.3406 0.3504 0.3504 0.5488 0.5488 0.5735 0.5735 0.8831 0.8831 0.8956 0.8956 5.6277 5.6277 5.6512 5.6512 6.3099 6.3099 6.5817 6.5817 7.6987 7.6987 7.8146 7.8146 7.9498 7.9498 8.0134 8.0134 8.2719 8.2719 8.6808 8.6808 9.3708 9.3708 9.5917 9.5917 9.7378 9.7378 10.0693 10.0693 11.7197 11.7197 12.6402 12.6402 12.7011 12.7011 13.0793 13.0793 k = 0.4219 0.4240-0.0000 ( 5849 PWs) bands (ev): -1.8272 -1.8272 -1.8191 -1.8191 -1.7835 -1.7835 -1.7761 -1.7761 0.1825 0.1825 0.1871 0.1871 0.3424 0.3424 0.3511 0.3511 0.5391 0.5391 0.5643 0.5643 0.8888 0.8888 0.8988 0.8988 5.6504 5.6504 5.6623 5.6623 6.3501 6.3501 6.6170 6.6170 7.6814 7.6814 7.7820 7.7820 7.9592 7.9592 8.0147 8.0147 8.2981 8.2981 8.7107 8.7107 9.3940 9.3940 9.6289 9.6289 9.7413 9.7413 10.1129 10.1129 11.6087 11.6087 12.5617 12.5617 12.6060 12.6060 13.0614 13.0614 k = 0.4167 0.4330-0.0000 ( 5853 PWs) bands (ev): -1.8239 -1.8239 -1.8165 -1.8165 -1.7834 -1.7834 -1.7745 -1.7745 0.1874 0.1874 0.1918 0.1918 0.3442 0.3442 0.3519 0.3519 0.5290 0.5290 0.5549 0.5549 0.8944 0.8944 0.9023 0.9023 5.6684 5.6684 5.6797 5.6797 6.3925 6.3925 6.6533 6.6533 7.6582 7.6582 7.7534 7.7534 7.9693 7.9693 8.0164 8.0164 8.3275 8.3275 8.7419 8.7419 9.4151 9.4151 9.6541 9.6541 9.7561 9.7561 10.1578 10.1578 11.4980 11.4980 12.4752 12.4752 12.5263 12.5263 13.0441 13.0441 k = 0.4115 0.4420-0.0000 ( 5857 PWs) bands (ev): -1.8207 -1.8207 -1.8141 -1.8141 -1.7833 -1.7833 -1.7728 -1.7728 0.1925 0.1925 0.1969 0.1969 0.3459 0.3459 0.3530 0.3530 0.5187 0.5187 0.5453 0.5453 0.8998 0.8998 0.9059 0.9059 5.6817 5.6817 5.7035 5.7035 6.4369 6.4369 6.6904 6.6904 7.6295 7.6295 7.7285 7.7285 7.9793 7.9793 8.0187 8.0187 8.3598 8.3598 8.7743 8.7743 9.4339 9.4339 9.6645 9.6645 9.7841 9.7841 10.2039 10.2039 11.3877 11.3877 12.3829 12.3829 12.4611 12.4611 13.0274 13.0274 k = 0.4062 0.4511-0.0000 ( 5861 PWs) bands (ev): -1.8175 -1.8175 -1.8121 -1.8121 -1.7831 -1.7831 -1.7708 -1.7708 0.1977 0.1977 0.2024 0.2024 0.3474 0.3474 0.3543 0.3543 0.5082 0.5082 0.5354 0.5354 0.9048 0.9048 0.9099 0.9099 5.6950 5.6950 5.7286 5.7286 6.4831 6.4831 6.7280 6.7280 7.5973 7.5973 7.7060 7.7060 7.9886 7.9886 8.0224 8.0224 8.3944 8.3944 8.8075 8.8075 9.4502 9.4502 9.6659 9.6659 9.8192 9.8192 10.2507 10.2507 11.2780 11.2780 12.2921 12.2921 12.4043 12.4043 13.0110 13.0110 k = 0.4010 0.4601-0.0000 ( 5857 PWs) bands (ev): -1.8145 -1.8145 -1.8103 -1.8103 -1.7829 -1.7829 -1.7687 -1.7687 0.2030 0.2030 0.2082 0.2082 0.3488 0.3488 0.3559 0.3559 0.4975 0.4975 0.5255 0.5255 0.9095 0.9095 0.9141 0.9141 5.7092 5.7092 5.7540 5.7540 6.5309 6.5309 6.7658 6.7658 7.5633 7.5633 7.6841 7.6841 7.9960 7.9960 8.0283 8.0283 8.4306 8.4306 8.8415 8.8415 9.4639 9.4639 9.6636 9.6636 9.8549 9.8549 10.2978 10.2978 11.1691 11.1691 12.2067 12.2067 12.3538 12.3538 12.9931 12.9931 k = 0.3958 0.4691-0.0000 ( 5861 PWs) bands (ev): -1.8117 -1.8117 -1.8088 -1.8088 -1.7827 -1.7827 -1.7665 -1.7665 0.2082 0.2082 0.2144 0.2144 0.3500 0.3500 0.3579 0.3579 0.4868 0.4868 0.5155 0.5155 0.9138 0.9138 0.9186 0.9186 5.7245 5.7245 5.7794 5.7794 6.5801 6.5801 6.8035 6.8035 7.5288 7.5288 7.6618 7.6618 8.0012 8.0012 8.0368 8.0368 8.4679 8.4679 8.8762 8.8762 9.4746 9.4746 9.6606 9.6606 9.8878 9.8878 10.3447 10.3447 11.0613 11.0613 12.1288 12.1288 12.3089 12.3089 12.9555 12.9555 k = 0.3906 0.4781-0.0000 ( 5851 PWs) bands (ev): -1.8091 -1.8091 -1.8075 -1.8075 -1.7825 -1.7825 -1.7643 -1.7643 0.2134 0.2134 0.2209 0.2209 0.3512 0.3512 0.3601 0.3601 0.4760 0.4760 0.5056 0.5056 0.9177 0.9177 0.9232 0.9232 5.7408 5.7408 5.8045 5.8045 6.6306 6.6306 6.8410 6.8410 7.4945 7.4945 7.6385 7.6385 8.0046 8.0046 8.0472 8.0472 8.5056 8.5056 8.9112 8.9112 9.4825 9.4825 9.6580 9.6580 9.9159 9.9159 10.3907 10.3907 10.9550 10.9550 12.0604 12.0604 12.2693 12.2693 12.8831 12.8831 k = 0.3854 0.4871-0.0000 ( 5849 PWs) bands (ev): -1.8071 -1.8071 -1.8061 -1.8061 -1.7822 -1.7822 -1.7621 -1.7621 0.2184 0.2184 0.2277 0.2277 0.3523 0.3523 0.3626 0.3626 0.4652 0.4652 0.4959 0.4959 0.9214 0.9214 0.9276 0.9276 5.7581 5.7581 5.8290 5.8290 6.6819 6.6819 6.8778 6.8778 7.4609 7.4609 7.6135 7.6135 8.0070 8.0070 8.0586 8.0586 8.5427 8.5427 8.9467 8.9467 9.4875 9.4875 9.6566 9.6566 9.9377 9.9377 10.4352 10.4352 10.8509 10.8509 12.0033 12.0033 12.2346 12.2346 12.8051 12.8051 k = 0.3802 0.4962-0.0000 ( 5857 PWs) bands (ev): -1.8060 -1.8060 -1.8043 -1.8043 -1.7819 -1.7819 -1.7599 -1.7599 0.2233 0.2233 0.2346 0.2346 0.3534 0.3534 0.3652 0.3652 0.4545 0.4545 0.4863 0.4863 0.9249 0.9249 0.9318 0.9318 5.7763 5.7763 5.8525 5.8525 6.7341 6.7341 6.9139 6.9139 7.4282 7.4282 7.5867 7.5867 8.0089 8.0089 8.0703 8.0703 8.5785 8.5785 8.9826 8.9826 9.4896 9.4896 9.6569 9.6569 9.9524 9.9524 10.4768 10.4768 10.7502 10.7502 11.9590 11.9590 12.2047 12.2047 12.7281 12.7281 k = 0.3750 0.5052-0.0000 ( 5861 PWs) bands (ev): -1.8054 -1.8054 -1.8025 -1.8025 -1.7815 -1.7815 -1.7579 -1.7579 0.2278 0.2278 0.2416 0.2416 0.3547 0.3547 0.3681 0.3681 0.4441 0.4441 0.4770 0.4770 0.9282 0.9282 0.9356 0.9356 5.7954 5.7954 5.8747 5.8747 6.7867 6.7867 6.9490 6.9490 7.3965 7.3965 7.5577 7.5577 8.0106 8.0106 8.0819 8.0819 8.6121 8.6121 9.0188 9.0188 9.4891 9.4891 9.6590 9.6590 9.9595 9.9595 10.5128 10.5128 10.6558 10.6558 11.9285 11.9285 12.1793 12.1793 12.6532 12.6532 k = 0.3698 0.5142-0.0000 ( 5863 PWs) bands (ev): -1.8049 -1.8049 -1.8009 -1.8009 -1.7811 -1.7811 -1.7560 -1.7560 0.2321 0.2321 0.2485 0.2485 0.3560 0.3560 0.3711 0.3711 0.4338 0.4338 0.4680 0.4680 0.9313 0.9313 0.9391 0.9391 5.8151 5.8151 5.8950 5.8950 6.8396 6.8396 6.9829 6.9829 7.3661 7.3661 7.5263 7.5263 8.0122 8.0122 8.0928 8.0928 8.6425 8.6425 9.0553 9.0553 9.4860 9.4860 9.6631 9.6631 9.9592 9.9592 10.5209 10.5209 10.5906 10.5906 11.9123 11.9123 12.1583 12.1583 12.5806 12.5806 k = 0.3646 0.5232-0.0000 ( 5871 PWs) bands (ev): -1.8045 -1.8045 -1.7997 -1.7997 -1.7807 -1.7807 -1.7544 -1.7544 0.2359 0.2359 0.2552 0.2552 0.3575 0.3575 0.3743 0.3743 0.4239 0.4239 0.4596 0.4596 0.9341 0.9341 0.9422 0.9422 5.8353 5.8353 5.9132 5.9132 6.8926 6.8926 7.0155 7.0155 7.3369 7.3369 7.4922 7.4922 8.0137 8.0137 8.1029 8.1029 8.6689 8.6689 9.0919 9.0919 9.4804 9.4804 9.6691 9.6691 9.9523 9.9523 10.4560 10.4560 10.6007 10.6007 11.9101 11.9101 12.1413 12.1413 12.5104 12.5104 k = 0.3594 0.5322-0.0000 ( 5867 PWs) bands (ev): -1.8043 -1.8043 -1.7986 -1.7986 -1.7803 -1.7803 -1.7529 -1.7529 0.2392 0.2392 0.2615 0.2615 0.3593 0.3593 0.3777 0.3777 0.4145 0.4145 0.4518 0.4518 0.9366 0.9366 0.9448 0.9448 5.8557 5.8557 5.9285 5.9285 6.9453 6.9453 7.0468 7.0468 7.3090 7.3090 7.4554 7.4554 8.0152 8.0152 8.1118 8.1118 8.6907 8.6907 9.1285 9.1285 9.4724 9.4724 9.6770 9.6770 9.9398 9.9398 10.3803 10.3803 10.6252 10.6252 11.9212 11.9212 12.1281 12.1281 12.4425 12.4425 k = 0.3542 0.5413-0.0000 ( 5859 PWs) bands (ev): -1.8041 -1.8041 -1.7979 -1.7979 -1.7799 -1.7799 -1.7517 -1.7517 0.2420 0.2420 0.2672 0.2672 0.3614 0.3614 0.3810 0.3810 0.4058 0.4058 0.4447 0.4447 0.9387 0.9387 0.9470 0.9470 5.8758 5.8758 5.9406 5.9406 6.9973 6.9973 7.0766 7.0766 7.2825 7.2825 7.4157 7.4157 8.0167 8.0167 8.1193 8.1193 8.7075 8.7075 9.1643 9.1643 9.4618 9.4618 9.6866 9.6866 9.9230 9.9230 10.3130 10.3130 10.6471 10.6471 11.9443 11.9443 12.1184 12.1184 12.3768 12.3768 k = 0.3490 0.5503-0.0000 ( 5857 PWs) bands (ev): -1.8039 -1.8039 -1.7973 -1.7973 -1.7795 -1.7795 -1.7507 -1.7507 0.2442 0.2442 0.2720 0.2720 0.3638 0.3638 0.3842 0.3842 0.3978 0.3978 0.4387 0.4387 0.9405 0.9405 0.9488 0.9488 5.8951 5.8951 5.9487 5.9487 7.0477 7.0477 7.1053 7.1053 7.2576 7.2576 7.3733 7.3733 8.0180 8.0180 8.1253 8.1253 8.7192 8.7192 9.1981 9.1981 9.4489 9.4489 9.6976 9.6976 9.9032 9.9032 10.2586 10.2586 10.6644 10.6644 11.9778 11.9778 12.1118 12.1118 12.3131 12.3131 k = 0.3438 0.5593-0.0000 ( 5857 PWs) bands (ev): -1.8039 -1.8039 -1.7969 -1.7969 -1.7793 -1.7793 -1.7501 -1.7501 0.2457 0.2457 0.2757 0.2757 0.3666 0.3666 0.3869 0.3869 0.3909 0.3909 0.4339 0.4339 0.9418 0.9418 0.9500 0.9500 5.9130 5.9130 5.9523 5.9523 7.0938 7.0938 7.1341 7.1341 7.2349 7.2349 7.3291 7.3291 8.0190 8.0190 8.1297 8.1297 8.7265 8.7265 9.2278 9.2278 9.4350 9.4350 9.7090 9.7090 9.8828 9.8828 10.2195 10.2195 10.6765 10.6765 12.0196 12.0196 12.1082 12.1082 12.2515 12.2515 k = 0.3385 0.5683-0.0000 ( 5865 PWs) bands (ev): -1.8038 -1.8038 -1.7967 -1.7967 -1.7791 -1.7791 -1.7497 -1.7497 0.2467 0.2467 0.2780 0.2780 0.3692 0.3692 0.3856 0.3856 0.3888 0.3888 0.4308 0.4308 0.9426 0.9426 0.9507 0.9507 5.9283 5.9283 5.9511 5.9511 7.1277 7.1277 7.1663 7.1663 7.2161 7.2161 7.2862 7.2862 8.0197 8.0197 8.1322 8.1322 8.7300 8.7300 9.2494 9.2494 9.4230 9.4230 9.7188 9.7188 9.8657 9.8657 10.1969 10.1969 10.6836 10.6836 12.0658 12.0658 12.1088 12.1088 12.1922 12.1922 k = 0.3333 0.5774-0.0000 ( 5871 PWs) bands (ev): -1.8038 -1.8038 -1.7967 -1.7967 -1.7791 -1.7791 -1.7496 -1.7496 0.2470 0.2470 0.2787 0.2787 0.3705 0.3705 0.3834 0.3834 0.3894 0.3894 0.4297 0.4297 0.9429 0.9429 0.9510 0.9510 5.9371 5.9371 5.9474 5.9474 7.1401 7.1401 7.1901 7.1901 7.2059 7.2059 7.2616 7.2616 8.0200 8.0200 8.1331 8.1331 8.7309 8.7309 9.2577 9.2577 9.4179 9.4179 9.7230 9.7230 9.8585 9.8585 10.1897 10.1897 10.6859 10.6859 12.0908 12.0908 12.1268 12.1268 12.1456 12.1456 k = 0.3333 0.5774-0.0000 ( 5871 PWs) bands (ev): -1.8038 -1.8038 -1.7967 -1.7967 -1.7791 -1.7791 -1.7496 -1.7496 0.2470 0.2470 0.2787 0.2787 0.3705 0.3705 0.3834 0.3834 0.3894 0.3894 0.4297 0.4297 0.9429 0.9429 0.9510 0.9510 5.9371 5.9371 5.9474 5.9474 7.1401 7.1401 7.1901 7.1901 7.2059 7.2059 7.2616 7.2616 8.0200 8.0200 8.1331 8.1331 8.7309 8.7309 9.2577 9.2577 9.4179 9.4179 9.7230 9.7230 9.8585 9.8585 10.1897 10.1897 10.6859 10.6859 12.0908 12.0908 12.1268 12.1268 12.1456 12.1456 k = 0.3280 0.5682-0.0000 ( 5859 PWs) bands (ev): -1.8038 -1.8038 -1.7967 -1.7967 -1.7791 -1.7791 -1.7497 -1.7497 0.2467 0.2467 0.2780 0.2780 0.3693 0.3693 0.3855 0.3855 0.3888 0.3888 0.4308 0.4308 0.9425 0.9425 0.9507 0.9507 5.9269 5.9269 5.9517 5.9517 7.1278 7.1278 7.1656 7.1656 7.2162 7.2162 7.2871 7.2871 8.0197 8.0197 8.1322 8.1322 8.7304 8.7304 9.2493 9.2493 9.4232 9.4232 9.7184 9.7184 9.8669 9.8669 10.1963 10.1963 10.6837 10.6837 12.0635 12.0635 12.1082 12.1082 12.1946 12.1946 k = 0.3228 0.5590-0.0000 ( 5859 PWs) bands (ev): -1.8039 -1.8039 -1.7969 -1.7969 -1.7793 -1.7793 -1.7501 -1.7501 0.2458 0.2458 0.2757 0.2757 0.3670 0.3670 0.3870 0.3870 0.3904 0.3904 0.4335 0.4335 0.9416 0.9416 0.9499 0.9499 5.9059 5.9059 5.9533 5.9533 7.0936 7.0936 7.1356 7.1356 7.2328 7.2328 7.3327 7.3327 8.0187 8.0187 8.1298 8.1298 8.7300 8.7300 9.2282 9.2282 9.4361 9.4361 9.7071 9.7071 9.8905 9.8905 10.2144 10.2144 10.6778 10.6778 12.0098 12.0098 12.1059 12.1059 12.2584 12.2584 k = 0.3175 0.5499-0.0000 ( 5851 PWs) bands (ev): -1.8039 -1.8039 -1.7971 -1.7971 -1.7795 -1.7795 -1.7507 -1.7507 0.2445 0.2445 0.2722 0.2722 0.3649 0.3649 0.3849 0.3849 0.3964 0.3964 0.4375 0.4375 0.9400 0.9400 0.9486 0.9486 5.8770 5.8770 5.9472 5.9472 7.0485 7.0485 7.1126 7.1126 7.2507 7.2507 7.3817 7.3817 8.0168 8.0168 8.1258 8.1258 8.7310 8.7310 9.2010 9.2010 9.4515 9.4515 9.6938 9.6938 9.9250 9.9250 10.2419 10.2419 10.6688 10.6688 11.9547 11.9547 12.1045 12.1045 12.3258 12.3258 k = 0.3122 0.5407-0.0000 ( 5859 PWs) bands (ev): -1.8039 -1.8039 -1.7975 -1.7975 -1.7800 -1.7800 -1.7516 -1.7516 0.2428 0.2428 0.2677 0.2677 0.3632 0.3632 0.3825 0.3825 0.4029 0.4029 0.4421 0.4421 0.9378 0.9378 0.9468 0.9468 5.8401 5.8401 5.9311 5.9311 7.0037 7.0037 7.0918 7.0918 7.2683 7.2683 7.4312 7.4312 8.0141 8.0141 8.1204 8.1204 8.7345 8.7345 9.1728 9.1728 9.4661 9.4661 9.6809 9.6809 9.9669 9.9669 10.2771 10.2771 10.6576 10.6576 11.9006 11.9006 12.1012 12.1012 12.3953 12.3953 k = 0.3069 0.5315-0.0000 ( 5853 PWs) bands (ev): -1.8039 -1.8039 -1.7980 -1.7980 -1.7804 -1.7804 -1.7527 -1.7527 0.2407 0.2407 0.2625 0.2625 0.3619 0.3619 0.3801 0.3801 0.4097 0.4097 0.4472 0.4472 0.9348 0.9348 0.9444 0.9444 5.7950 5.7950 5.9032 5.9032 6.9637 6.9637 7.0718 7.0718 7.2854 7.2854 7.4802 7.4802 8.0104 8.0104 8.1139 8.1139 8.7416 8.7416 9.1470 9.1470 9.4787 9.4787 9.6697 9.6697 10.0140 10.0140 10.3188 10.3188 10.6450 10.6450 11.8482 11.8482 12.0943 12.0943 12.4660 12.4660 k = 0.3016 0.5224-0.0000 ( 5859 PWs) bands (ev): -1.8039 -1.8039 -1.7985 -1.7985 -1.7809 -1.7809 -1.7540 -1.7540 0.2384 0.2384 0.2569 0.2569 0.3608 0.3608 0.3780 0.3780 0.4166 0.4166 0.4523 0.4523 0.9312 0.9312 0.9415 0.9415 5.7418 5.7418 5.8619 5.8619 6.9310 6.9310 7.0523 7.0523 7.3016 7.3016 7.5282 7.5282 8.0059 8.0059 8.1064 8.1064 8.7530 8.7530 9.1255 9.1255 9.4887 9.4887 9.6601 9.6601 10.0643 10.0643 10.3660 10.3660 10.6321 10.6321 11.7980 11.7980 12.0826 12.0826 12.5375 12.5375 k = 0.2963 0.5132-0.0000 ( 5851 PWs) bands (ev): -1.8038 -1.8038 -1.7992 -1.7992 -1.7815 -1.7815 -1.7555 -1.7555 0.2360 0.2360 0.2510 0.2510 0.3600 0.3600 0.3762 0.3762 0.4235 0.4235 0.4575 0.4575 0.9269 0.9269 0.9379 0.9379 5.6806 5.6806 5.8069 5.8069 6.9068 6.9068 7.0333 7.0333 7.3170 7.3170 7.5750 7.5750 8.0005 8.0005 8.0979 8.0979 8.7691 8.7691 9.1097 9.1097 9.4960 9.4960 9.6519 9.6519 10.1164 10.1164 10.4184 10.4184 10.6195 10.6195 11.7507 11.7507 12.0649 12.0649 12.6091 12.6091 k = 0.2910 0.5040-0.0000 ( 5859 PWs) bands (ev): -1.8038 -1.8038 -1.7999 -1.7999 -1.7821 -1.7821 -1.7571 -1.7571 0.2335 0.2335 0.2451 0.2451 0.3592 0.3592 0.3746 0.3746 0.4302 0.4302 0.4624 0.4624 0.9218 0.9218 0.9338 0.9338 5.6118 5.6118 5.7385 5.7385 6.8914 6.8914 7.0145 7.0145 7.3317 7.3317 7.6200 7.6200 7.9943 7.9943 8.0885 8.0885 8.7905 8.7905 9.1004 9.1004 9.5007 9.5007 9.6450 9.6450 10.1688 10.1688 10.4754 10.4754 10.6082 10.6082 11.7067 11.7067 12.0403 12.0403 12.6801 12.6801 k = 0.2857 0.4949-0.0000 ( 5863 PWs) bands (ev): -1.8037 -1.8037 -1.8008 -1.8008 -1.7826 -1.7826 -1.7589 -1.7589 0.2309 0.2309 0.2392 0.2392 0.3585 0.3585 0.3734 0.3734 0.4367 0.4367 0.4672 0.4672 0.9161 0.9161 0.9290 0.9290 5.5357 5.5357 5.6580 5.6580 6.8839 6.8839 6.9960 6.9960 7.3458 7.3458 7.6630 7.6630 7.9875 7.9875 8.0784 8.0784 8.8171 8.8171 9.0976 9.0976 9.5031 9.5031 9.6389 9.6389 10.2203 10.2203 10.5366 10.5366 10.5990 10.5990 11.6669 11.6669 12.0084 12.0084 12.7496 12.7496 k = 0.2804 0.4857-0.0000 ( 5859 PWs) bands (ev): -1.8036 -1.8036 -1.8017 -1.8017 -1.7831 -1.7831 -1.7608 -1.7608 0.2284 0.2284 0.2335 0.2335 0.3578 0.3578 0.3725 0.3725 0.4428 0.4428 0.4716 0.4716 0.9096 0.9096 0.9236 0.9236 5.4530 5.4530 5.5669 5.5669 6.8832 6.8832 6.9778 6.9778 7.3592 7.3592 7.7037 7.7037 7.9801 7.9801 8.0675 8.0675 8.8490 8.8490 9.1013 9.1013 9.5035 9.5035 9.6336 9.6336 10.2702 10.2702 10.5904 10.5904 10.6038 10.6038 11.6319 11.6319 11.9693 11.9693 12.8154 12.8154 k = 0.2751 0.4765-0.0000 ( 5855 PWs) bands (ev): -1.8037 -1.8037 -1.8025 -1.8025 -1.7836 -1.7836 -1.7627 -1.7627 0.2259 0.2259 0.2280 0.2280 0.3570 0.3570 0.3718 0.3718 0.4485 0.4485 0.4756 0.4756 0.9024 0.9024 0.9175 0.9175 5.3642 5.3642 5.4672 5.4672 6.8880 6.8880 6.9599 6.9599 7.3720 7.3720 7.7419 7.7419 7.9723 7.9723 8.0558 8.0558 8.8858 8.8858 9.1111 9.1111 9.5024 9.5024 9.6289 9.6289 10.3177 10.3177 10.5881 10.5881 10.6717 10.6717 11.6026 11.6026 11.9235 11.9235 12.8730 12.8730 k = 0.2698 0.4674-0.0000 ( 5847 PWs) bands (ev): -1.8043 -1.8043 -1.8029 -1.8029 -1.7839 -1.7839 -1.7648 -1.7648 0.2222 0.2222 0.2242 0.2242 0.3563 0.3563 0.3714 0.3714 0.4537 0.4537 0.4793 0.4793 0.8945 0.8945 0.9109 0.9109 5.2700 5.2700 5.3607 5.3607 6.8970 6.8970 6.9423 6.9423 7.3843 7.3843 7.7773 7.7773 7.9643 7.9643 8.0433 8.0433 8.9269 8.9269 9.1263 9.1263 9.5004 9.5004 9.6248 9.6248 10.3625 10.3625 10.5883 10.5883 10.7438 10.7438 11.5798 11.5798 11.8715 11.8715 12.9171 12.9171 k = 0.2646 0.4582-0.0000 ( 5849 PWs) bands (ev): -1.8055 -1.8055 -1.8029 -1.8029 -1.7843 -1.7843 -1.7669 -1.7669 0.2173 0.2173 0.2220 0.2220 0.3556 0.3556 0.3711 0.3711 0.4584 0.4584 0.4824 0.4824 0.8859 0.8859 0.9035 0.9035 5.1711 5.1711 5.2489 5.2489 6.9089 6.9089 6.9252 6.9252 7.3960 7.3960 7.8095 7.8095 7.9563 7.9563 8.0300 8.0300 8.9716 8.9716 9.1462 9.1462 9.4984 9.4984 9.6213 9.6213 10.4043 10.4043 10.5925 10.5925 10.8186 10.8186 11.5641 11.5641 11.8143 11.8143 12.9519 12.9519 k = 0.2593 0.4491-0.0000 ( 5845 PWs) bands (ev): -1.8068 -1.8068 -1.8027 -1.8027 -1.7845 -1.7845 -1.7690 -1.7690 0.2126 0.2126 0.2201 0.2201 0.3549 0.3549 0.3710 0.3710 0.4625 0.4625 0.4850 0.4850 0.8764 0.8764 0.8956 0.8956 5.0682 5.0682 5.1332 5.1332 6.9071 6.9071 6.9243 6.9243 7.4071 7.4071 7.8379 7.8379 7.9489 7.9489 8.0158 8.0158 9.0184 9.0184 9.1701 9.1701 9.4977 9.4977 9.6183 9.6183 10.4433 10.4433 10.6010 10.6010 10.8953 10.8953 11.5562 11.5562 11.7529 11.7529 12.9845 12.9845 k = 0.2540 0.4399-0.0000 ( 5851 PWs) bands (ev): -1.8082 -1.8082 -1.8026 -1.8026 -1.7846 -1.7846 -1.7711 -1.7711 0.2082 0.2082 0.2185 0.2185 0.3542 0.3542 0.3709 0.3709 0.4660 0.4660 0.4871 0.4871 0.8662 0.8662 0.8870 0.8870 4.9619 4.9619 5.0149 5.0149 6.8907 6.8907 6.9401 6.9401 7.4175 7.4175 7.8608 7.8608 7.9437 7.9437 8.0010 8.0010 9.0654 9.0654 9.1972 9.1972 9.5002 9.5002 9.6160 9.6160 10.4795 10.4795 10.6138 10.6138 10.9732 10.9732 11.5563 11.5563 11.6886 11.6886 13.0179 13.0179 k = 0.2487 0.4307-0.0000 ( 5851 PWs) bands (ev): -1.8097 -1.8097 -1.8024 -1.8024 -1.7846 -1.7846 -1.7731 -1.7731 0.2042 0.2042 0.2171 0.2171 0.3536 0.3536 0.3710 0.3710 0.4689 0.4689 0.4886 0.4886 0.8552 0.8552 0.8778 0.8778 4.8529 4.8529 4.8948 4.8948 6.8745 6.8745 6.9572 6.9572 7.4271 7.4271 7.8745 7.8745 7.9432 7.9432 7.9863 7.9863 9.1102 9.1102 9.2265 9.2265 9.5087 9.5087 9.6144 9.6144 10.5132 10.5132 10.6310 10.6310 11.0515 11.0515 11.5626 11.5626 11.6248 11.6248 13.0523 13.0523 k = 0.2434 0.4216-0.0000 ( 5855 PWs) bands (ev): -1.8112 -1.8112 -1.8023 -1.8023 -1.7846 -1.7846 -1.7752 -1.7752 0.2004 0.2004 0.2159 0.2159 0.3530 0.3530 0.3711 0.3711 0.4711 0.4711 0.4895 0.4895 0.8434 0.8434 0.8680 0.8680 4.7417 4.7417 4.7738 4.7738 6.8588 6.8588 6.9751 6.9751 7.4354 7.4354 7.8761 7.8761 7.9462 7.9462 7.9761 7.9761 9.1504 9.1504 9.2558 9.2558 9.5267 9.5267 9.6138 9.6138 10.5447 10.5447 10.6523 10.6523 11.1283 11.1283 11.5443 11.5443 11.5943 11.5943 13.0870 13.0870 k = 0.2381 0.4124-0.0000 ( 5853 PWs) bands (ev): -1.8128 -1.8128 -1.8023 -1.8023 -1.7845 -1.7845 -1.7771 -1.7771 0.1971 0.1971 0.2150 0.2150 0.3526 0.3526 0.3712 0.3712 0.4726 0.4726 0.4898 0.4898 0.8309 0.8309 0.8575 0.8575 4.6289 4.6289 4.6527 4.6527 6.8436 6.8436 6.9936 6.9936 7.4422 7.4422 7.8683 7.8683 7.9385 7.9385 7.9821 7.9821 9.1851 9.1851 9.2820 9.2820 9.5577 9.5577 9.6145 9.6145 10.5746 10.5746 10.6772 10.6772 11.1988 11.1988 11.4880 11.4880 11.6158 11.6158 13.1079 13.1079 k = 0.2328 0.4032-0.0000 ( 5845 PWs) bands (ev): -1.8144 -1.8144 -1.8023 -1.8023 -1.7844 -1.7844 -1.7788 -1.7788 0.1940 0.1940 0.2143 0.2143 0.3522 0.3522 0.3714 0.3714 0.4734 0.4734 0.4895 0.4895 0.8175 0.8175 0.8465 0.8465 4.5148 4.5148 4.5321 4.5321 6.8293 6.8293 7.0126 7.0126 7.4468 7.4468 7.8550 7.8550 7.9223 7.9223 7.9984 7.9984 9.2141 9.2141 9.3029 9.3029 9.6006 9.6006 9.6198 9.6198 10.6035 10.6035 10.7053 10.7053 11.2461 11.2461 11.4506 11.4506 11.6493 11.6493 13.0635 13.0635 k = 0.2275 0.3941-0.0000 ( 5839 PWs) bands (ev): -1.8160 -1.8160 -1.8024 -1.8024 -1.7843 -1.7843 -1.7804 -1.7804 0.1913 0.1913 0.2138 0.2138 0.3519 0.3519 0.3716 0.3716 0.4735 0.4735 0.4887 0.4887 0.8033 0.8033 0.8349 0.8349 4.3999 4.3999 4.4128 4.4128 6.8157 6.8157 7.0319 7.0319 7.4485 7.4485 7.8380 7.8380 7.9046 7.9046 8.0170 8.0170 9.2385 9.2385 9.3184 9.3184 9.6163 9.6163 9.6675 9.6675 10.6315 10.6315 10.7360 10.7360 11.2373 11.2373 11.4687 11.4687 11.6911 11.6911 13.0094 13.0094 k = 0.2222 0.3849-0.0000 ( 5847 PWs) bands (ev): -1.8176 -1.8176 -1.8027 -1.8027 -1.7843 -1.7843 -1.7816 -1.7816 0.1889 0.1889 0.2136 0.2136 0.3517 0.3517 0.3718 0.3718 0.4727 0.4727 0.4871 0.4871 0.7884 0.7884 0.8226 0.8226 4.2844 4.2844 4.2952 4.2952 6.8032 6.8032 7.0515 7.0515 7.4462 7.4462 7.8180 7.8180 7.8873 7.8873 8.0359 8.0359 9.2589 9.2589 9.3304 9.3304 9.6219 9.6219 9.7380 9.7380 10.6587 10.6587 10.7691 10.7691 11.1844 11.1844 11.5302 11.5302 11.7410 11.7410 12.9541 12.9541 k = 0.2169 0.3757-0.0000 ( 5839 PWs) bands (ev): -1.8191 -1.8191 -1.8032 -1.8032 -1.7846 -1.7846 -1.7823 -1.7823 0.1869 0.1869 0.2135 0.2135 0.3515 0.3515 0.3721 0.3721 0.4712 0.4712 0.4850 0.4850 0.7727 0.7727 0.8099 0.8099 4.1690 4.1690 4.1795 4.1795 6.7918 6.7918 7.0715 7.0715 7.4389 7.4389 7.7951 7.7951 7.8720 7.8720 8.0544 8.0544 9.2761 9.2761 9.3412 9.3412 9.6290 9.6290 9.8169 9.8169 10.6847 10.6847 10.8044 10.8044 11.1175 11.1175 11.6037 11.6037 11.8001 11.8001 12.8984 12.8984 k = 0.2116 0.3666-0.0000 ( 5835 PWs) bands (ev): -1.8206 -1.8206 -1.8038 -1.8038 -1.7853 -1.7853 -1.7824 -1.7824 0.1851 0.1851 0.2137 0.2137 0.3514 0.3514 0.3723 0.3723 0.4689 0.4689 0.4822 0.4822 0.7562 0.7562 0.7965 0.7965 4.0547 4.0547 4.0654 4.0654 6.7816 6.7816 7.0919 7.0919 7.4254 7.4254 7.7693 7.7693 7.8598 7.8598 8.0725 8.0725 9.2906 9.2906 9.3522 9.3522 9.6384 9.6384 9.9014 9.9014 10.7083 10.7083 10.8417 10.8417 11.0482 11.0482 11.6756 11.6756 11.8707 11.8707 12.8428 12.8428 k = 0.2063 0.3574-0.0000 ( 5823 PWs) bands (ev): -1.8222 -1.8222 -1.8047 -1.8047 -1.7859 -1.7859 -1.7823 -1.7823 0.1836 0.1836 0.2140 0.2140 0.3514 0.3514 0.3725 0.3725 0.4657 0.4657 0.4789 0.4789 0.7390 0.7390 0.7827 0.7827 3.9421 3.9421 3.9528 3.9528 6.7729 6.7729 7.1127 7.1127 7.4047 7.4047 7.7407 7.7407 7.8519 7.8519 8.0899 8.0899 9.3026 9.3026 9.3644 9.3644 9.6506 9.6506 9.9895 9.9895 10.7269 10.7269 10.8808 10.8808 10.9828 10.9828 11.7397 11.7397 11.9547 11.9547 12.7876 12.7876 k = 0.2011 0.3482-0.0000 ( 5829 PWs) bands (ev): -1.8236 -1.8236 -1.8058 -1.8058 -1.7864 -1.7864 -1.7821 -1.7821 0.1823 0.1823 0.2144 0.2144 0.3514 0.3514 0.3727 0.3727 0.4616 0.4616 0.4749 0.4749 0.7211 0.7211 0.7683 0.7683 3.8317 3.8317 3.8420 3.8420 6.7658 6.7658 7.1339 7.1339 7.3764 7.3764 7.7093 7.7093 7.8488 7.8488 8.1067 8.1067 9.3127 9.3127 9.3783 9.3783 9.6659 9.6659 10.0797 10.0797 10.7340 10.7340 10.9184 10.9184 10.9327 10.9327 11.7942 11.7942 12.0511 12.0511 12.7334 12.7334 k = 0.1958 0.3391-0.0000 ( 5829 PWs) bands (ev): -1.8251 -1.8251 -1.8070 -1.8070 -1.7868 -1.7868 -1.7818 -1.7818 0.1813 0.1813 0.2149 0.2149 0.3515 0.3515 0.3728 0.3728 0.4567 0.4567 0.4704 0.4704 0.7026 0.7026 0.7535 0.7535 3.7237 3.7237 3.7332 3.7332 6.7604 6.7604 7.1556 7.1556 7.3406 7.3406 7.6750 7.6750 7.8507 7.8507 8.1227 8.1227 9.3210 9.3210 9.3939 9.3939 9.6846 9.6846 10.1708 10.1708 10.7185 10.7185 10.8992 10.8992 10.9655 10.9655 11.8402 11.8402 12.1567 12.1567 12.6808 12.6808 k = 0.1905 0.3299-0.0000 ( 5825 PWs) bands (ev): -1.8265 -1.8265 -1.8083 -1.8083 -1.7871 -1.7871 -1.7816 -1.7816 0.1805 0.1805 0.2156 0.2156 0.3516 0.3516 0.3730 0.3730 0.4507 0.4507 0.4654 0.4654 0.6836 0.6836 0.7383 0.7383 3.6178 3.6178 3.6272 3.6272 6.7568 6.7568 7.1777 7.1777 7.2982 7.2982 7.6380 7.6380 7.8570 7.8570 8.1381 8.1381 9.3278 9.3278 9.4112 9.4112 9.7070 9.7070 10.2611 10.2611 10.6784 10.6784 10.8987 10.8987 11.0090 11.0090 11.8788 11.8788 12.2673 12.2673 12.6313 12.6313 k = 0.1852 0.3208-0.0000 ( 5829 PWs) bands (ev): -1.8278 -1.8278 -1.8098 -1.8098 -1.7874 -1.7874 -1.7814 -1.7814 0.1798 0.1798 0.2163 0.2163 0.3516 0.3516 0.3731 0.3731 0.4437 0.4437 0.4599 0.4599 0.6640 0.6640 0.7227 0.7227 3.5136 3.5136 3.5247 3.5247 6.7552 6.7552 7.1987 7.1987 7.2512 7.2512 7.5984 7.5984 7.8674 7.8674 8.1527 8.1527 9.3333 9.3333 9.4296 9.4296 9.7332 9.7332 10.3482 10.3482 10.6280 10.6280 10.9148 10.9148 11.0536 11.0536 11.9110 11.9110 12.3762 12.3762 12.5897 12.5897 k = 0.1799 0.3116-0.0000 ( 5821 PWs) bands (ev): -1.8291 -1.8291 -1.8114 -1.8114 -1.7875 -1.7875 -1.7813 -1.7813 0.1792 0.1792 0.2171 0.2171 0.3515 0.3515 0.3732 0.3732 0.4357 0.4357 0.4540 0.4540 0.6440 0.6440 0.7068 0.7068 3.4111 3.4111 3.4263 3.4263 6.7558 6.7558 7.1884 7.1884 7.2310 7.2310 7.5563 7.5563 7.8810 7.8810 8.1665 8.1665 9.3377 9.3377 9.4487 9.4487 9.7633 9.7633 10.4244 10.4244 10.5838 10.5838 10.9390 10.9390 11.0986 11.0986 11.9374 11.9374 12.4523 12.4523 12.5854 12.5854 k = 0.1746 0.3024-0.0000 ( 5813 PWs) bands (ev): -1.8303 -1.8303 -1.8129 -1.8129 -1.7877 -1.7877 -1.7812 -1.7812 0.1787 0.1787 0.2178 0.2178 0.3512 0.3512 0.3732 0.3732 0.4264 0.4264 0.4479 0.4479 0.6238 0.6238 0.6907 0.6907 3.3105 3.3105 3.3319 3.3319 6.7587 6.7587 7.1328 7.1328 7.2525 7.2525 7.5119 7.5119 7.8972 7.8972 8.1793 8.1793 9.3409 9.3409 9.4674 9.4674 9.7973 9.7973 10.4573 10.4573 10.5821 10.5821 10.9685 10.9685 11.1435 11.1435 11.9587 11.9587 12.4453 12.4453 12.6671 12.6671 k = 0.1693 0.2933-0.0000 ( 5819 PWs) bands (ev): -1.8316 -1.8316 -1.8146 -1.8146 -1.7878 -1.7878 -1.7812 -1.7812 0.1782 0.1782 0.2186 0.2186 0.3506 0.3506 0.3732 0.3732 0.4159 0.4159 0.4416 0.4416 0.6033 0.6033 0.6745 0.6745 3.2122 3.2122 3.2415 3.2415 6.7639 6.7639 7.0711 7.0711 7.2772 7.2772 7.4656 7.4656 7.9156 7.9156 8.1912 8.1912 9.3431 9.3431 9.4846 9.4846 9.8351 9.8351 10.4326 10.4326 10.6384 10.6384 11.0028 11.0028 11.1879 11.1879 11.9753 11.9753 12.4088 12.4088 12.7795 12.7795 k = 0.1640 0.2841-0.0000 ( 5817 PWs) bands (ev): -1.8327 -1.8327 -1.8162 -1.8162 -1.7881 -1.7881 -1.7813 -1.7813 0.1777 0.1777 0.2193 0.2193 0.3495 0.3495 0.3730 0.3730 0.4040 0.4040 0.4354 0.4354 0.5829 0.5829 0.6582 0.6582 3.1164 3.1164 3.1552 3.1552 6.7715 6.7715 7.0060 7.0060 7.3027 7.3027 7.4179 7.4179 7.9355 7.9355 8.2021 8.2021 9.3442 9.3442 9.4990 9.4990 9.8768 9.8768 10.3972 10.3972 10.7059 10.7059 11.0426 11.0426 11.2312 11.2312 11.9879 11.9879 12.3689 12.3689 12.8935 12.8935 k = 0.1587 0.2749-0.0000 ( 5809 PWs) bands (ev): -1.8339 -1.8339 -1.8179 -1.8179 -1.7883 -1.7883 -1.7815 -1.7815 0.1772 0.1772 0.2200 0.2200 0.3477 0.3477 0.3726 0.3726 0.3908 0.3908 0.4295 0.4295 0.5628 0.5628 0.6420 0.6420 3.0233 3.0233 3.0728 3.0728 6.7817 6.7817 6.9387 6.9387 7.3266 7.3266 7.3712 7.3712 7.9566 7.9566 8.2118 8.2118 9.3442 9.3442 9.5091 9.5091 9.9221 9.9221 10.3672 10.3672 10.7688 10.7688 11.0891 11.0891 11.2728 11.2728 11.9974 11.9974 12.3302 12.3302 12.9945 12.9945 k = 0.1534 0.2658-0.0000 ( 5805 PWs) bands (ev): -1.8349 -1.8349 -1.8196 -1.8196 -1.7887 -1.7887 -1.7818 -1.7818 0.1764 0.1764 0.2207 0.2207 0.3449 0.3449 0.3716 0.3716 0.3767 0.3767 0.4239 0.4239 0.5430 0.5430 0.6260 0.6260 2.9332 2.9332 2.9946 2.9946 6.7940 6.7940 6.8701 6.8701 7.3108 7.3108 7.3638 7.3638 7.9785 7.9785 8.2204 8.2204 9.3429 9.3429 9.5136 9.5136 9.9709 9.9709 10.3468 10.3468 10.8233 10.8233 11.1425 11.1425 11.3122 11.3122 12.0044 12.0044 12.2940 12.2940 13.0315 13.0315 k = 0.1481 0.2566-0.0000 ( 5815 PWs) bands (ev): -1.8360 -1.8360 -1.8212 -1.8212 -1.7891 -1.7891 -1.7823 -1.7823 0.1755 0.1755 0.2212 0.2212 0.3404 0.3404 0.3601 0.3601 0.3718 0.3718 0.4190 0.4190 0.5240 0.5240 0.6102 0.6102 2.8459 2.8459 2.9205 2.9205 6.7927 6.7927 6.8165 6.8165 7.2610 7.2610 7.3902 7.3902 8.0008 8.0008 8.2276 8.2276 9.3402 9.3402 9.5115 9.5115 10.0230 10.0230 10.3381 10.3381 10.8686 10.8686 11.2022 11.2022 11.3490 11.3490 12.0099 12.0099 12.2610 12.2610 12.9926 12.9926 k = 0.1429 0.2474-0.0000 ( 5815 PWs) bands (ev): -1.8370 -1.8370 -1.8229 -1.8229 -1.7896 -1.7896 -1.7829 -1.7829 0.1742 0.1742 0.2216 0.2216 0.3324 0.3324 0.3453 0.3453 0.3705 0.3705 0.4147 0.4147 0.5060 0.5060 0.5950 0.5950 2.7618 2.7618 2.8505 2.8505 6.7257 6.7257 6.8306 6.8306 7.2086 7.2086 7.4194 7.4194 8.0232 8.0232 8.2336 8.2336 9.3359 9.3359 9.5024 9.5024 10.0782 10.0782 10.3416 10.3416 10.9057 10.9057 11.2654 11.2654 11.3833 11.3833 12.0147 12.0147 12.2317 12.2317 12.9361 12.9361 k = 0.1376 0.2383-0.0000 ( 5811 PWs) bands (ev): -1.8380 -1.8380 -1.8246 -1.8246 -1.7902 -1.7902 -1.7836 -1.7836 0.1725 0.1725 0.2220 0.2220 0.3169 0.3169 0.3349 0.3349 0.3690 0.3690 0.4110 0.4110 0.4893 0.4893 0.5804 0.5804 2.6808 2.6808 2.7847 2.7847 6.6543 6.6543 6.8515 6.8515 7.1554 7.1554 7.4498 7.4498 8.0455 8.0455 8.2382 8.2382 9.3298 9.3298 9.4870 9.4870 10.1364 10.1364 10.3571 10.3571 10.9363 10.9363 11.3279 11.3279 11.4166 11.4166 12.0195 12.0195 12.2061 12.2061 12.8759 12.8759 k = 0.1323 0.2291-0.0000 ( 5811 PWs) bands (ev): -1.8389 -1.8389 -1.8262 -1.8262 -1.7909 -1.7909 -1.7845 -1.7845 0.1702 0.1702 0.2221 0.2221 0.2968 0.2968 0.3268 0.3268 0.3669 0.3669 0.4073 0.4073 0.4745 0.4745 0.5666 0.5666 2.6029 2.6029 2.7229 2.7229 6.5825 6.5825 6.8755 6.8755 7.1018 7.1018 7.4810 7.4810 8.0672 8.0672 8.2414 8.2414 9.3218 9.3218 9.4663 9.4663 10.1973 10.1973 10.3836 10.3836 10.9618 10.9618 11.3815 11.3815 11.4545 11.4545 12.0250 12.0250 12.1841 12.1841 12.8151 12.8151 k = 0.1270 0.2199-0.0000 ( 5813 PWs) bands (ev): -1.8399 -1.8399 -1.8279 -1.8279 -1.7918 -1.7918 -1.7855 -1.7855 0.1673 0.1673 0.2220 0.2220 0.2748 0.2748 0.3186 0.3186 0.3643 0.3643 0.4029 0.4029 0.4622 0.4622 0.5538 0.5538 2.5284 2.5284 2.6651 2.6651 6.5109 6.5109 6.9025 6.9025 7.0483 7.0483 7.5129 7.5129 8.0881 8.0881 8.2432 8.2432 9.3115 9.3115 9.4418 9.4418 10.2606 10.2606 10.4197 10.4197 10.9833 10.9833 11.4165 11.4165 11.5047 11.5047 12.0316 12.0316 12.1653 12.1653 12.7556 12.7556 k = 0.1217 0.2108-0.0000 ( 5805 PWs) bands (ev): -1.8408 -1.8408 -1.8296 -1.8296 -1.7927 -1.7927 -1.7867 -1.7867 0.1633 0.1633 0.2213 0.2213 0.2521 0.2521 0.3101 0.3101 0.3610 0.3610 0.3969 0.3969 0.4533 0.4533 0.5420 0.5420 2.4571 2.4571 2.6113 2.6113 6.4400 6.4400 6.9323 6.9323 6.9951 6.9951 7.5456 7.5456 8.1079 8.1079 8.2436 8.2436 9.2988 9.2988 9.4149 9.4149 10.3261 10.3261 10.4637 10.4637 11.0016 11.0016 11.4356 11.4356 11.5631 11.5631 12.0397 12.0397 12.1491 12.1491 12.6986 12.6986 k = 0.1164 0.2016-0.0000 ( 5809 PWs) bands (ev): -1.8417 -1.8417 -1.8312 -1.8312 -1.7937 -1.7937 -1.7880 -1.7880 0.1582 0.1582 0.2166 0.2166 0.2324 0.2324 0.3015 0.3015 0.3568 0.3568 0.3888 0.3888 0.4480 0.4480 0.5314 0.5314 2.3891 2.3891 2.5613 2.5613 6.3699 6.3699 6.9424 6.9424 6.9651 6.9651 7.5787 7.5787 8.1264 8.1264 8.2427 8.2427 9.2835 9.2835 9.3871 9.3871 10.3936 10.3936 10.5143 10.5143 11.0173 11.0173 11.4455 11.4455 11.6217 11.6217 12.0486 12.0486 12.1350 12.1350 12.6456 12.6456 k = 0.1111 0.1925-0.0000 ( 5811 PWs) bands (ev): -1.8426 -1.8426 -1.8329 -1.8329 -1.7948 -1.7948 -1.7894 -1.7894 0.1513 0.1513 0.1984 0.1984 0.2262 0.2262 0.2930 0.2930 0.3517 0.3517 0.3790 0.3790 0.4457 0.4457 0.5221 0.5221 2.3245 2.3245 2.5150 2.5150 6.3011 6.3011 6.8905 6.8905 7.0006 7.0006 7.6123 7.6123 8.1433 8.1433 8.2405 8.2405 9.2654 9.2654 9.3594 9.3594 10.4628 10.4628 10.5702 10.5702 11.0306 11.0306 11.4494 11.4494 11.6765 11.6765 12.0560 12.0560 12.1242 12.1242 12.5981 12.5981 k = 0.1058 0.1833-0.0000 ( 5821 PWs) bands (ev): -1.8435 -1.8435 -1.8346 -1.8346 -1.7960 -1.7960 -1.7909 -1.7909 0.1416 0.1416 0.1761 0.1761 0.2250 0.2250 0.2850 0.2850 0.3457 0.3457 0.3683 0.3683 0.4457 0.4457 0.5142 0.5142 2.2632 2.2632 2.4723 2.4723 6.2337 6.2337 6.8395 6.8395 7.0389 7.0389 7.6463 7.6463 8.1583 8.1583 8.2371 8.2371 9.2443 9.2443 9.3328 9.3328 10.5333 10.5333 10.6302 10.6302 11.0419 11.0419 11.4489 11.4489 11.7248 11.7248 12.0555 12.0555 12.1220 12.1220 12.5578 12.5578 k = 0.1005 0.1741-0.0000 ( 5825 PWs) bands (ev): -1.8444 -1.8444 -1.8363 -1.8363 -1.7973 -1.7973 -1.7926 -1.7926 0.1269 0.1269 0.1567 0.1567 0.2247 0.2247 0.2776 0.2776 0.3386 0.3386 0.3574 0.3574 0.4470 0.4470 0.5076 0.5076 2.2053 2.2053 2.4331 2.4331 6.1681 6.1681 6.7898 6.7898 7.0799 7.0799 7.6804 7.6804 8.1713 8.1713 8.2326 8.2326 9.2200 9.2200 9.3079 9.3079 10.6048 10.6048 10.6935 10.6935 11.0513 11.0513 11.4450 11.4450 11.7645 11.7645 12.0416 12.0416 12.1330 12.1330 12.5266 12.5266 k = 0.0952 0.1650-0.0000 ( 5825 PWs) bands (ev): -1.8452 -1.8452 -1.8379 -1.8379 -1.7986 -1.7986 -1.7943 -1.7943 0.1062 0.1062 0.1418 0.1418 0.2245 0.2245 0.2709 0.2709 0.3305 0.3305 0.3467 0.3467 0.4494 0.4494 0.5023 0.5023 2.1507 2.1507 2.3971 2.3971 6.1044 6.1044 6.7415 6.7415 7.1235 7.1235 7.7146 7.7146 8.1821 8.1821 8.2271 8.2271 9.1926 9.1926 9.2852 9.2852 10.6770 10.6770 10.7589 10.7589 11.0590 11.0590 11.4386 11.4386 11.7937 11.7937 12.0176 12.0176 12.1539 12.1539 12.5065 12.5065 k = 0.0899 0.1558-0.0000 ( 5825 PWs) bands (ev): -1.8461 -1.8461 -1.8396 -1.8396 -1.8000 -1.8000 -1.7960 -1.7960 0.0821 0.0821 0.1294 0.1294 0.2244 0.2244 0.2650 0.2650 0.3217 0.3217 0.3365 0.3365 0.4523 0.4523 0.4981 0.4981 2.0993 2.0993 2.3643 2.3643 6.0429 6.0429 6.6947 6.6947 7.1697 7.1697 7.7487 7.7487 8.1907 8.1907 8.2208 8.2208 9.1619 9.1619 9.2650 9.2650 10.7495 10.7495 10.8259 10.8259 11.0651 11.0651 11.4305 11.4305 11.8112 11.8112 11.9873 11.9873 12.1811 12.1811 12.4985 12.4985 k = 0.0847 0.1466-0.0000 ( 5813 PWs) bands (ev): -1.8470 -1.8470 -1.8412 -1.8412 -1.8014 -1.8014 -1.7978 -1.7978 0.0570 0.0570 0.1176 0.1176 0.2244 0.2244 0.2599 0.2599 0.3124 0.3124 0.3267 0.3267 0.4556 0.4556 0.4950 0.4950 2.0513 2.0513 2.3343 2.3343 5.9838 5.9838 6.6497 6.6497 7.2183 7.2183 7.7826 7.7826 8.1969 8.1969 8.2139 8.2139 9.1278 9.1278 9.2475 9.2475 10.8219 10.8219 10.8933 10.8933 11.0701 11.0701 11.4213 11.4213 11.8168 11.8168 11.9533 11.9533 12.2132 12.2132 12.5029 12.5029 k = 0.0794 0.1375-0.0000 ( 5825 PWs) bands (ev): -1.8479 -1.8479 -1.8429 -1.8429 -1.8028 -1.8028 -1.7997 -1.7997 0.0319 0.0319 0.1057 0.1057 0.2244 0.2244 0.2555 0.2555 0.3029 0.3029 0.3171 0.3171 0.4591 0.4591 0.4927 0.4927 2.0065 2.0065 2.3072 2.3072 5.9273 5.9273 6.6067 6.6067 7.2693 7.2693 7.8159 7.8159 8.2002 8.2002 8.2072 8.2072 9.0905 9.0905 9.2327 9.2327 10.8938 10.8938 10.9601 10.9601 11.0743 11.0743 11.4113 11.4113 11.8119 11.8119 11.9170 11.9170 12.2494 12.2494 12.5182 12.5182 k = 0.0741 0.1283-0.0000 ( 5821 PWs) bands (ev): -1.8488 -1.8488 -1.8445 -1.8445 -1.8042 -1.8042 -1.8015 -1.8015 0.0072 0.0072 0.0937 0.0937 0.2244 0.2244 0.2517 0.2517 0.2936 0.2936 0.3078 0.3078 0.4628 0.4628 0.4912 0.4912 1.9649 1.9649 2.2826 2.2826 5.8736 5.8736 6.5657 6.5657 7.3225 7.3225 7.8487 7.8487 8.1964 8.1964 8.2052 8.2052 9.0500 9.0500 9.2206 9.2206 10.9646 10.9646 11.0230 11.0230 11.0805 11.0805 11.4010 11.4010 11.7987 11.7987 11.8797 11.8797 12.2893 12.2893 12.5422 12.5422 k = 0.0688 0.1191-0.0000 ( 5817 PWs) bands (ev): -1.8497 -1.8497 -1.8461 -1.8461 -1.8056 -1.8056 -1.8032 -1.8032 -0.0166 -0.0166 0.0817 0.0817 0.2245 0.2245 0.2485 0.2485 0.2847 0.2847 0.2987 0.2987 0.4664 0.4664 0.4903 0.4903 1.9265 1.9265 2.2605 2.2605 5.8229 5.8229 6.5269 6.5269 7.3778 7.3778 7.8805 7.8805 8.1886 8.1886 8.2052 8.2052 9.0064 9.0064 9.2109 9.2109 11.0339 11.0339 11.0613 11.0613 11.1087 11.1087 11.3905 11.3905 11.7797 11.7797 11.8427 11.8427 12.3327 12.3327 12.5722 12.5722 k = 0.0635 0.1100-0.0000 ( 5817 PWs) bands (ev): -1.8506 -1.8506 -1.8477 -1.8477 -1.8070 -1.8070 -1.8049 -1.8049 -0.0394 -0.0394 0.0699 0.0699 0.2246 0.2246 0.2457 0.2457 0.2762 0.2762 0.2899 0.2899 0.4701 0.4701 0.4899 0.4899 1.8912 1.8912 2.2407 2.2407 5.7753 5.7753 6.4905 6.4905 7.4351 7.4351 7.9113 7.9113 8.1803 8.1803 8.2040 8.2040 8.9597 8.9597 9.2034 9.2034 11.0676 11.0676 11.1013 11.1013 11.1658 11.1658 11.3802 11.3802 11.7571 11.7571 11.8067 11.8067 12.3790 12.3790 12.6060 12.6060 k = 0.0582 0.1008-0.0000 ( 5817 PWs) bands (ev): -1.8516 -1.8516 -1.8492 -1.8492 -1.8084 -1.8084 -1.8065 -1.8065 -0.0610 -0.0610 0.0585 0.0585 0.2247 0.2247 0.2433 0.2433 0.2683 0.2683 0.2814 0.2814 0.4736 0.4736 0.4898 0.4898 1.8589 1.8589 2.2231 2.2231 5.7309 5.7309 6.4566 6.4566 7.4943 7.4943 7.9408 7.9408 8.1720 8.1720 8.2017 8.2017 8.9101 8.9101 9.1978 9.1978 11.0678 11.0678 11.1659 11.1659 11.2253 11.2253 11.3701 11.3701 11.7329 11.7329 11.7724 11.7724 12.4278 12.4278 12.6415 12.6415 k = 0.0529 0.0916-0.0000 ( 5821 PWs) bands (ev): -1.8525 -1.8525 -1.8506 -1.8506 -1.8097 -1.8097 -1.8080 -1.8080 -0.0812 -0.0812 0.0475 0.0475 0.2249 0.2249 0.2412 0.2412 0.2609 0.2609 0.2733 0.2733 0.4770 0.4770 0.4900 0.4900 1.8297 1.8297 2.2074 2.2074 5.6900 5.6900 6.4252 6.4252 7.5551 7.5551 7.9687 7.9687 8.1639 8.1639 8.1984 8.1984 8.8578 8.8578 9.1940 9.1940 11.0664 11.0664 11.2273 11.2273 11.2822 11.2822 11.3604 11.3604 11.7083 11.7083 11.7404 11.7404 12.4785 12.4785 12.6773 12.6773 k = 0.0476 0.0825-0.0000 ( 5829 PWs) bands (ev): -1.8534 -1.8534 -1.8520 -1.8520 -1.8110 -1.8110 -1.8094 -1.8094 -0.0999 -0.0999 0.0372 0.0372 0.2250 0.2250 0.2393 0.2393 0.2542 0.2542 0.2658 0.2658 0.4802 0.4802 0.4903 0.4903 1.8034 1.8034 2.1936 2.1936 5.6526 5.6526 6.3965 6.3965 7.6174 7.6174 7.9949 7.9949 8.1560 8.1560 8.1944 8.1944 8.8030 8.8030 9.1914 9.1914 11.0640 11.0640 11.2848 11.2848 11.3346 11.3346 11.3519 11.3519 11.6846 11.6846 11.7111 11.7111 12.5302 12.5302 12.7121 12.7121 k = 0.0423 0.0733-0.0000 ( 5811 PWs) bands (ev): -1.8543 -1.8543 -1.8533 -1.8533 -1.8121 -1.8121 -1.8105 -1.8105 -0.1169 -0.1169 0.0277 0.0277 0.2253 0.2253 0.2377 0.2377 0.2483 0.2483 0.2588 0.2588 0.4832 0.4832 0.4909 0.4909 1.7801 1.7801 2.1816 2.1816 5.6188 5.6188 6.3706 6.3706 7.6811 7.6811 8.0191 8.0191 8.1487 8.1487 8.1900 8.1900 8.7460 8.7460 9.1900 9.1900 11.0611 11.0611 11.3339 11.3339 11.3459 11.3459 11.3843 11.3843 11.6625 11.6625 11.6850 11.6850 12.5822 12.5822 12.7453 12.7453 k = 0.0370 0.0642-0.0000 ( 5811 PWs) bands (ev): -1.8551 -1.8551 -1.8544 -1.8544 -1.8132 -1.8132 -1.8116 -1.8116 -0.1321 -0.1321 0.0190 0.0190 0.2255 0.2255 0.2362 0.2362 0.2430 0.2430 0.2525 0.2525 0.4859 0.4859 0.4914 0.4914 1.7596 1.7596 2.1713 2.1713 5.5887 5.5887 6.3476 6.3476 7.7459 7.7459 8.0410 8.0410 8.1419 8.1419 8.1855 8.1855 8.6869 8.6869 9.1893 9.1893 11.0580 11.0580 11.3325 11.3325 11.3874 11.3874 11.4273 11.4273 11.6426 11.6426 11.6621 11.6621 12.6331 12.6331 12.7762 12.7762 k = 0.0317 0.0550-0.0000 ( 5823 PWs) bands (ev): -1.8559 -1.8559 -1.8554 -1.8554 -1.8143 -1.8143 -1.8125 -1.8125 -0.1455 -0.1455 0.0113 0.0113 0.2258 0.2258 0.2348 0.2348 0.2385 0.2385 0.2468 0.2468 0.4883 0.4883 0.4920 0.4920 1.7420 1.7420 2.1625 2.1625 5.5625 5.5625 6.3274 6.3274 7.8116 7.8116 8.0605 8.0605 8.1359 8.1359 8.1811 8.1811 8.6260 8.6260 9.1892 9.1892 11.0548 11.0548 11.3252 11.3252 11.4293 11.4293 11.4646 11.4646 11.6256 11.6256 11.6430 11.6430 12.6815 12.6815 12.8046 12.8046 k = 0.0265 0.0458-0.0000 ( 5821 PWs) bands (ev): -1.8566 -1.8566 -1.8563 -1.8563 -1.8151 -1.8151 -1.8132 -1.8132 -0.1570 -0.1570 0.0047 0.0047 0.2261 0.2261 0.2336 0.2336 0.2347 0.2347 0.2419 0.2419 0.4904 0.4904 0.4925 0.4925 1.7271 1.7271 2.1552 2.1552 5.5402 5.5402 6.3103 6.3103 7.8779 7.8779 8.0773 8.0773 8.1306 8.1306 8.1771 8.1771 8.5636 8.5636 9.1895 9.1895 11.0517 11.0517 11.3187 11.3187 11.4647 11.4647 11.4954 11.4954 11.6120 11.6120 11.6279 11.6279 12.7257 12.7257 12.8302 12.8302 k = 0.0212 0.0367-0.0000 ( 5833 PWs) bands (ev): -1.8572 -1.8572 -1.8571 -1.8571 -1.8158 -1.8158 -1.8139 -1.8139 -0.1665 -0.1665 -0.0009 -0.0009 0.2264 0.2264 0.2316 0.2316 0.2327 0.2327 0.2377 0.2377 0.4921 0.4921 0.4930 0.4930 1.7150 1.7150 2.1493 2.1493 5.5218 5.5218 6.2962 6.2962 7.9446 7.9446 8.0912 8.0912 8.1263 8.1263 8.1735 8.1735 8.5002 8.5002 9.1899 9.1899 11.0489 11.0489 11.3130 11.3130 11.4923 11.4923 11.5191 11.5191 11.6027 11.6027 11.6174 11.6174 12.7638 12.7638 12.8533 12.8533 k = 0.0159 0.0275-0.0000 ( 5845 PWs) bands (ev): -1.8578 -1.8578 -1.8577 -1.8577 -1.8164 -1.8164 -1.8144 -1.8144 -0.1739 -0.1739 -0.0052 -0.0052 0.2266 0.2266 0.2294 0.2294 0.2317 0.2317 0.2344 0.2344 0.4933 0.4933 0.4935 0.4935 1.7056 1.7056 2.1448 2.1448 5.5075 5.5075 6.2852 6.2852 8.0109 8.0109 8.1020 8.1020 8.1232 8.1232 8.1706 8.1706 8.4363 8.4363 9.1904 9.1904 11.0466 11.0466 11.3084 11.3084 11.5113 11.5113 11.5351 11.5351 11.5983 11.5983 11.6119 11.6119 12.7938 12.7938 12.8736 12.8736 k = 0.0106 0.0183-0.0000 ( 5839 PWs) bands (ev): -1.8581 -1.8581 -1.8581 -1.8581 -1.8168 -1.8168 -1.8147 -1.8147 -0.1793 -0.1793 -0.0083 -0.0083 0.2266 0.2266 0.2281 0.2281 0.2309 0.2309 0.2320 0.2320 0.4937 0.4937 0.4944 0.4944 1.6989 1.6989 2.1416 2.1416 5.4972 5.4972 6.2773 6.2773 8.0756 8.0756 8.1091 8.1091 8.1215 8.1215 8.1686 8.1686 8.3732 8.3732 9.1908 9.1908 11.0449 11.0449 11.3051 11.3051 11.5218 11.5218 11.5439 11.5439 11.5982 11.5982 11.6107 11.6107 12.8149 12.8149 12.8902 12.8902 k = 0.0053 0.0092-0.0000 ( 5837 PWs) bands (ev): -1.8583 -1.8583 -1.8583 -1.8583 -1.8170 -1.8170 -1.8149 -1.8149 -0.1825 -0.1825 -0.0102 -0.0102 0.2262 0.2262 0.2279 0.2279 0.2302 0.2302 0.2307 0.2307 0.4938 0.4938 0.4950 0.4950 1.6949 1.6949 2.1397 2.1397 5.4911 5.4911 6.2726 6.2726 8.1124 8.1124 8.1215 8.1215 8.1343 8.1343 8.1677 8.1677 8.3152 8.3152 9.1910 9.1910 11.0438 11.0438 11.3030 11.3030 11.5263 11.5263 11.5475 11.5475 11.6001 11.6001 11.6117 11.6117 12.8271 12.8271 12.9013 12.9013 k = 0.0000 0.0000 0.0000 ( 5829 PWs) bands (ev): -1.8584 -1.8584 -1.8584 -1.8584 -1.8171 -1.8171 -1.8150 -1.8150 -0.1836 -0.1836 -0.0109 -0.0109 0.2260 0.2260 0.2279 0.2279 0.2300 0.2300 0.2303 0.2303 0.4939 0.4939 0.4952 0.4952 1.6935 1.6935 2.1390 2.1390 5.4890 5.4890 6.2710 6.2710 8.1131 8.1131 8.1219 8.1219 8.1616 8.1616 8.1716 8.1716 8.2838 8.2838 9.1911 9.1911 11.0434 11.0434 11.3023 11.3023 11.5275 11.5275 11.5483 11.5483 11.6011 11.6011 11.6123 11.6123 12.8311 12.8311 12.9053 12.9053 k = 0.0000 0.0000 0.0000 ( 5829 PWs) bands (ev): -1.8584 -1.8584 -1.8584 -1.8584 -1.8171 -1.8171 -1.8150 -1.8150 -0.1836 -0.1836 -0.0109 -0.0109 0.2260 0.2260 0.2279 0.2279 0.2300 0.2300 0.2303 0.2303 0.4939 0.4939 0.4952 0.4952 1.6935 1.6935 2.1390 2.1390 5.4890 5.4890 6.2710 6.2710 8.1131 8.1131 8.1219 8.1219 8.1616 8.1616 8.1716 8.1716 8.2838 8.2838 9.1911 9.1911 11.0434 11.0434 11.3023 11.3023 11.5275 11.5275 11.5483 11.5483 11.6011 11.6011 11.6123 11.6123 12.8311 12.8311 12.9053 12.9053 k = 0.0000 0.0000 0.0103 ( 5817 PWs) bands (ev): -1.8584 -1.8584 -1.8584 -1.8584 -1.8170 -1.8170 -1.8150 -1.8150 -0.1828 -0.1828 -0.0119 -0.0119 0.2260 0.2260 0.2279 0.2279 0.2300 0.2300 0.2303 0.2303 0.4939 0.4939 0.4952 0.4952 1.6958 1.6958 2.1367 2.1367 5.4926 5.4926 6.2661 6.2661 8.1134 8.1134 8.1221 8.1221 8.1613 8.1613 8.1713 8.1713 8.2892 8.2892 9.1866 9.1866 11.0453 11.0453 11.3014 11.3014 11.5276 11.5276 11.5482 11.5482 11.6012 11.6012 11.6123 11.6123 12.8321 12.8321 12.9062 12.9062 k = 0.0000 0.0000 0.0207 ( 5823 PWs) bands (ev): -1.8584 -1.8584 -1.8584 -1.8584 -1.8170 -1.8170 -1.8150 -1.8150 -0.1805 -0.1805 -0.0150 -0.0150 0.2261 0.2261 0.2279 0.2279 0.2300 0.2300 0.2303 0.2303 0.4939 0.4939 0.4952 0.4952 1.7025 1.7025 2.1297 2.1297 5.5031 5.5031 6.2515 6.2515 8.1141 8.1141 8.1229 8.1229 8.1606 8.1606 8.1705 8.1705 8.3051 8.3051 9.1731 9.1731 11.0508 11.0508 11.2985 11.2985 11.5280 11.5280 11.5480 11.5480 11.6015 11.6015 11.6122 11.6122 12.8353 12.8353 12.9089 12.9089 k = 0.0000 0.0000 0.0310 ( 5817 PWs) bands (ev): -1.8584 -1.8584 -1.8584 -1.8584 -1.8169 -1.8169 -1.8151 -1.8151 -0.1768 -0.1768 -0.0200 -0.0200 0.2261 0.2261 0.2279 0.2279 0.2300 0.2300 0.2303 0.2303 0.4940 0.4940 0.4952 0.4952 1.7136 1.7136 2.1182 2.1182 5.5205 5.5205 6.2279 6.2279 8.1153 8.1153 8.1241 8.1241 8.1593 8.1593 8.1692 8.1692 8.3309 8.3309 9.1510 9.1510 11.0598 11.0598 11.2938 11.2938 11.5286 11.5286 11.5476 11.5476 11.6019 11.6019 11.6121 11.6121 12.8405 12.8405 12.9134 12.9134 k = 0.0000 0.0000 0.0413 ( 5805 PWs) bands (ev): -1.8584 -1.8584 -1.8584 -1.8584 -1.8169 -1.8169 -1.8151 -1.8151 -0.1717 -0.1717 -0.0269 -0.0269 0.2262 0.2262 0.2278 0.2278 0.2300 0.2300 0.2303 0.2303 0.4941 0.4941 0.4952 0.4952 1.7287 1.7287 2.1025 2.1025 5.5444 5.5444 6.1962 6.1962 8.1169 8.1169 8.1257 8.1257 8.1577 8.1577 8.1674 8.1674 8.3656 8.3656 9.1208 9.1208 11.0717 11.0717 11.2872 11.2872 11.5295 11.5295 11.5470 11.5470 11.6025 11.6025 11.6119 11.6119 12.8478 12.8478 12.9196 12.9196 k = 0.0000 0.0000 0.0517 ( 5817 PWs) bands (ev): -1.8584 -1.8584 -1.8584 -1.8584 -1.8167 -1.8167 -1.8152 -1.8152 -0.1652 -0.1652 -0.0353 -0.0353 0.2263 0.2263 0.2278 0.2278 0.2300 0.2300 0.2302 0.2302 0.4941 0.4941 0.4951 0.4951 1.7475 1.7475 2.0830 2.0830 5.5744 5.5744 6.1575 6.1575 8.1189 8.1189 8.1278 8.1278 8.1555 8.1555 8.1652 8.1652 8.4081 8.4081 9.0834 9.0834 11.0862 11.0862 11.2788 11.2788 11.5306 11.5306 11.5463 11.5463 11.6033 11.6033 11.6117 11.6117 12.8569 12.8569 12.9274 12.9274 k = 0.0000 0.0000 0.0620 ( 5823 PWs) bands (ev): -1.8584 -1.8584 -1.8584 -1.8584 -1.8166 -1.8166 -1.8153 -1.8153 -0.1574 -0.1574 -0.0450 -0.0450 0.2264 0.2264 0.2277 0.2277 0.2300 0.2300 0.2302 0.2302 0.4942 0.4942 0.4950 0.4950 1.7698 1.7698 2.0600 2.0600 5.6100 5.6100 6.1131 6.1131 8.1213 8.1213 8.1302 8.1302 8.1531 8.1531 8.1626 8.1626 8.4570 8.4570 9.0394 9.0394 11.1026 11.1026 11.2686 11.2686 11.5318 11.5318 11.5454 11.5454 11.6041 11.6041 11.6114 11.6114 12.8679 12.8679 12.9367 12.9367 k = 0.0000 0.0000 0.0723 ( 5823 PWs) bands (ev): -1.8584 -1.8584 -1.8584 -1.8584 -1.8165 -1.8165 -1.8155 -1.8155 -0.1485 -0.1485 -0.0558 -0.0558 0.2265 0.2265 0.2276 0.2276 0.2300 0.2300 0.2302 0.2302 0.4942 0.4942 0.4950 0.4950 1.7949 1.7949 2.0342 2.0342 5.6506 5.6506 6.0644 6.0644 8.1241 8.1241 8.1330 8.1330 8.1503 8.1503 8.1597 8.1597 8.5112 8.5112 8.9898 8.9898 11.1203 11.1203 11.2567 11.2567 11.5332 11.5332 11.5444 11.5444 11.6050 11.6050 11.6110 11.6110 12.8804 12.8804 12.9473 12.9473 k = 0.0000 0.0000 0.0827 ( 5799 PWs) bands (ev): -1.8584 -1.8584 -1.8584 -1.8584 -1.8164 -1.8164 -1.8155 -1.8155 -0.1385 -0.1385 -0.0674 -0.0674 0.2267 0.2267 0.2275 0.2275 0.2300 0.2300 0.2302 0.2302 0.4944 0.4944 0.4949 0.4949 1.8224 1.8224 2.0061 2.0061 5.6956 5.6956 6.0124 6.0124 8.1271 8.1271 8.1361 8.1361 8.1472 8.1472 8.1566 8.1566 8.5693 8.5693 8.9357 8.9357 11.1388 11.1388 11.2432 11.2432 11.5346 11.5346 11.5433 11.5433 11.6059 11.6059 11.6105 11.6105 12.8944 12.8944 12.9592 12.9592 k = 0.0000 0.0000 0.0930 ( 5799 PWs) bands (ev): -1.8584 -1.8584 -1.8584 -1.8584 -1.8162 -1.8162 -1.8157 -1.8157 -0.1277 -0.1277 -0.0795 -0.0795 0.2268 0.2268 0.2274 0.2274 0.2301 0.2301 0.2302 0.2302 0.4945 0.4945 0.4948 0.4948 1.8518 1.8518 1.9763 1.9763 5.7442 5.7442 5.9585 5.9585 8.1303 8.1303 8.1393 8.1393 8.1439 8.1439 8.1532 8.1532 8.6301 8.6301 8.8778 8.8778 11.1577 11.1577 11.2283 11.2283 11.5361 11.5361 11.5420 11.5420 11.6068 11.6068 11.6099 11.6099 12.9096 12.9096 12.9720 12.9721 k = 0.0000 0.0000 0.1034 ( 5804 PWs) bands (ev): -1.8584 -1.8584 -1.8584 -1.8584 -1.8161 -1.8161 -1.8158 -1.8158 -0.1162 -0.1162 -0.0918 -0.0918 0.2270 0.2270 0.2272 0.2272 0.2301 0.2301 0.2301 0.2301 0.4945 0.4945 0.4947 0.4947 1.8825 1.8825 1.9453 1.9453 5.7957 5.7957 5.9038 5.9038 8.1336 8.1336 8.1405 8.1405 8.1427 8.1427 8.1498 8.1498 8.6924 8.6924 8.8173 8.8173 11.1764 11.1764 11.2120 11.2120 11.5377 11.5377 11.5406 11.5406 11.6077 11.6077 11.6092 11.6092 12.9257 12.9257 12.9596 12.9596 k = 0.0000 0.0000 0.1137 ( 5810 PWs) bands (ev): -1.8584 -1.8584 -1.8584 -1.8584 -1.8160 -1.8160 -1.8160 -1.8160 -0.1041 -0.1041 -0.1041 -0.1041 0.2271 0.2271 0.2271 0.2271 0.2301 0.2301 0.2301 0.2301 0.4946 0.4946 0.4946 0.4946 1.9139 1.9139 1.9139 1.9139 5.8492 5.8492 5.8492 5.8492 8.1371 8.1371 8.1371 8.1371 8.1462 8.1462 8.1462 8.1462 8.7552 8.7552 8.7552 8.7552 11.1946 11.1946 11.1946 11.1946 11.5392 11.5392 11.5392 11.5392 11.6085 11.6085 11.6085 11.6085 12.9425 12.9425 12.9425 12.9425 k = 0.0000 0.0000 0.1137 ( 5810 PWs) bands (ev): -1.8584 -1.8584 -1.8584 -1.8584 -1.8160 -1.8160 -1.8160 -1.8160 -0.1041 -0.1041 -0.1041 -0.1041 0.2271 0.2271 0.2271 0.2271 0.2301 0.2301 0.2301 0.2301 0.4946 0.4946 0.4946 0.4946 1.9139 1.9139 1.9139 1.9139 5.8492 5.8492 5.8492 5.8492 8.1371 8.1371 8.1371 8.1371 8.1462 8.1462 8.1462 8.1462 8.7552 8.7552 8.7552 8.7552 11.1946 11.1946 11.1946 11.1946 11.5392 11.5392 11.5392 11.5392 11.6085 11.6085 11.6085 11.6085 12.9425 12.9425 12.9425 12.9425 k = 0.0093 0.0053 0.1137 ( 5806 PWs) bands (ev): -1.8583 -1.8583 -1.8583 -1.8583 -1.8159 -1.8159 -1.8159 -1.8159 -0.1032 -0.1032 -0.1032 -0.1032 0.2272 0.2272 0.2272 0.2272 0.2305 0.2305 0.2305 0.2305 0.4945 0.4945 0.4945 0.4945 1.9149 1.9149 1.9149 1.9149 5.8509 5.8509 5.8509 5.8509 8.1341 8.1341 8.1341 8.1341 8.1448 8.1448 8.1448 8.1448 8.7593 8.7593 8.7593 8.7593 11.1950 11.1950 11.1950 11.1950 11.5381 11.5381 11.5381 11.5381 11.6076 11.6076 11.6076 11.6076 12.9389 12.9389 12.9389 12.9389 k = 0.0185 0.0107 0.1137 ( 5792 PWs) bands (ev): -1.8581 -1.8581 -1.8581 -1.8581 -1.8156 -1.8156 -1.8156 -1.8156 -0.1004 -0.1004 -0.1004 -0.1004 0.2274 0.2274 0.2274 0.2274 0.2316 0.2316 0.2316 0.2316 0.4940 0.4940 0.4940 0.4940 1.9180 1.9180 1.9180 1.9180 5.8560 5.8560 5.8560 5.8560 8.1213 8.1213 8.1213 8.1213 8.1447 8.1447 8.1447 8.1447 8.7712 8.7712 8.7712 8.7712 11.1961 11.1961 11.1961 11.1961 11.5339 11.5339 11.5339 11.5339 11.6061 11.6061 11.6061 11.6061 12.9278 12.9278 12.9278 12.9278 k = 0.0278 0.0160 0.1137 ( 5800 PWs) bands (ev): -1.8577 -1.8577 -1.8577 -1.8577 -1.8153 -1.8153 -1.8153 -1.8153 -0.0958 -0.0958 -0.0958 -0.0958 0.2276 0.2276 0.2276 0.2276 0.2335 0.2335 0.2335 0.2335 0.4933 0.4933 0.4933 0.4933 1.9231 1.9231 1.9231 1.9231 5.8646 5.8646 5.8646 5.8646 8.0992 8.0992 8.0992 8.0992 8.1467 8.1467 8.1467 8.1467 8.7898 8.7898 8.7898 8.7898 11.1978 11.1978 11.1978 11.1978 11.5239 11.5239 11.5239 11.5239 11.6066 11.6066 11.6066 11.6066 12.9083 12.9083 12.9083 12.9083 k = 0.0370 0.0214 0.1137 ( 5802 PWs) bands (ev): -1.8571 -1.8571 -1.8571 -1.8571 -1.8148 -1.8148 -1.8148 -1.8148 -0.0895 -0.0895 -0.0895 -0.0895 0.2279 0.2279 0.2279 0.2279 0.2362 0.2362 0.2362 0.2362 0.4923 0.4923 0.4923 0.4923 1.9304 1.9304 1.9304 1.9304 5.8765 5.8765 5.8765 5.8765 8.0700 8.0700 8.0700 8.0700 8.1499 8.1499 8.1499 8.1499 8.8135 8.8135 8.8135 8.8135 11.2000 11.2000 11.2000 11.2000 11.5060 11.5060 11.5060 11.5060 11.6115 11.6115 11.6115 11.6115 12.8806 12.8806 12.8806 12.8806 k = 0.0463 0.0267 0.1137 ( 5802 PWs) bands (ev): -1.8564 -1.8564 -1.8564 -1.8564 -1.8141 -1.8141 -1.8141 -1.8141 -0.0813 -0.0813 -0.0813 -0.0813 0.2282 0.2282 0.2282 0.2282 0.2397 0.2397 0.2397 0.2397 0.4910 0.4910 0.4910 0.4910 1.9397 1.9397 1.9397 1.9397 5.8918 5.8918 5.8918 5.8918 8.0354 8.0354 8.0354 8.0354 8.1541 8.1541 8.1541 8.1541 8.8411 8.8411 8.8411 8.8411 11.2025 11.2025 11.2025 11.2025 11.4800 11.4800 11.4800 11.4800 11.6214 11.6214 11.6214 11.6214 12.8457 12.8457 12.8457 12.8457 k = 0.0556 0.0321 0.1137 ( 5802 PWs) bands (ev): -1.8556 -1.8556 -1.8556 -1.8556 -1.8133 -1.8133 -1.8133 -1.8133 -0.0715 -0.0715 -0.0715 -0.0715 0.2286 0.2286 0.2286 0.2286 0.2440 0.2440 0.2440 0.2440 0.4894 0.4894 0.4894 0.4894 1.9512 1.9512 1.9512 1.9512 5.9104 5.9104 5.9104 5.9104 7.9968 7.9968 7.9968 7.9968 8.1592 8.1592 8.1592 8.1592 8.8710 8.8710 8.8710 8.8710 11.2049 11.2049 11.2049 11.2049 11.4469 11.4469 11.4469 11.4469 11.6355 11.6355 11.6355 11.6355 12.8054 12.8054 12.8054 12.8054 k = 0.0648 0.0374 0.1137 ( 5808 PWs) bands (ev): -1.8547 -1.8547 -1.8547 -1.8547 -1.8123 -1.8123 -1.8123 -1.8123 -0.0601 -0.0601 -0.0601 -0.0601 0.2291 0.2291 0.2291 0.2291 0.2491 0.2491 0.2491 0.2491 0.4877 0.4877 0.4877 0.4877 1.9649 1.9649 1.9649 1.9649 5.9323 5.9323 5.9323 5.9323 7.9553 7.9553 7.9553 7.9553 8.1652 8.1652 8.1652 8.1652 8.9023 8.9023 8.9023 8.9023 11.2065 11.2065 11.2065 11.2065 11.4083 11.4083 11.4083 11.4083 11.6533 11.6533 11.6533 11.6533 12.7616 12.7616 12.7616 12.7616 k = 0.0741 0.0428 0.1137 ( 5816 PWs) bands (ev): -1.8537 -1.8537 -1.8537 -1.8537 -1.8112 -1.8112 -1.8112 -1.8112 -0.0472 -0.0472 -0.0472 -0.0472 0.2296 0.2296 0.2296 0.2296 0.2549 0.2549 0.2549 0.2549 0.4858 0.4858 0.4858 0.4858 1.9809 1.9809 1.9809 1.9809 5.9572 5.9572 5.9572 5.9572 7.9118 7.9118 7.9118 7.9118 8.1718 8.1718 8.1718 8.1718 8.9342 8.9342 8.9342 8.9342 11.2055 11.2055 11.2055 11.2055 11.3666 11.3666 11.3666 11.3666 11.6743 11.6743 11.6743 11.6743 12.7158 12.7158 12.7158 12.7158 k = 0.0833 0.0481 0.1137 ( 5824 PWs) bands (ev): -1.8527 -1.8527 -1.8527 -1.8527 -1.8100 -1.8100 -1.8100 -1.8100 -0.0329 -0.0329 -0.0329 -0.0329 0.2301 0.2301 0.2301 0.2301 0.2614 0.2614 0.2614 0.2614 0.4838 0.4838 0.4838 0.4838 1.9992 1.9992 1.9992 1.9992 5.9853 5.9853 5.9853 5.9853 7.8670 7.8670 7.8670 7.8670 8.1791 8.1791 8.1791 8.1791 8.9659 8.9659 8.9659 8.9659 11.1979 11.1979 11.1979 11.1979 11.3262 11.3262 11.3262 11.3262 11.6982 11.6982 11.6982 11.6982 12.6691 12.6691 12.6691 12.6691 k = 0.0926 0.0535 0.1137 ( 5816 PWs) bands (ev): -1.8516 -1.8516 -1.8516 -1.8516 -1.8086 -1.8086 -1.8086 -1.8086 -0.0173 -0.0173 -0.0173 -0.0173 0.2308 0.2308 0.2308 0.2308 0.2686 0.2686 0.2686 0.2686 0.4817 0.4817 0.4817 0.4817 2.0199 2.0199 2.0199 2.0199 6.0162 6.0162 6.0162 6.0162 7.8215 7.8215 7.8215 7.8215 8.1870 8.1870 8.1870 8.1870 8.9971 8.9971 8.9971 8.9971 11.1757 11.1757 11.1757 11.1757 11.2959 11.2959 11.2959 11.2959 11.7246 11.7246 11.7246 11.7246 12.6225 12.6225 12.6225 12.6225 k = 0.1019 0.0588 0.1137 ( 5828 PWs) bands (ev): -1.8505 -1.8505 -1.8505 -1.8505 -1.8071 -1.8071 -1.8071 -1.8071 -0.0006 -0.0006 -0.0006 -0.0006 0.2315 0.2315 0.2315 0.2315 0.2764 0.2764 0.2764 0.2764 0.4795 0.4795 0.4795 0.4795 2.0431 2.0431 2.0431 2.0431 6.0499 6.0499 6.0499 6.0499 7.7759 7.7759 7.7759 7.7759 8.1953 8.1953 8.1953 8.1953 9.0272 9.0272 9.0272 9.0272 11.1337 11.1337 11.1337 11.1337 11.2810 11.2810 11.2810 11.2810 11.7534 11.7534 11.7534 11.7534 12.5767 12.5767 12.5767 12.5767 k = 0.1111 0.0642 0.1137 ( 5820 PWs) bands (ev): -1.8493 -1.8493 -1.8493 -1.8493 -1.8056 -1.8056 -1.8056 -1.8056 0.0171 0.0171 0.0171 0.0171 0.2324 0.2324 0.2324 0.2324 0.2849 0.2849 0.2849 0.2849 0.4775 0.4775 0.4775 0.4775 2.0688 2.0688 2.0688 2.0688 6.0863 6.0863 6.0863 6.0863 7.7304 7.7304 7.7304 7.7304 8.2040 8.2040 8.2040 8.2040 9.0559 9.0559 9.0559 9.0559 11.0773 11.0773 11.0773 11.0773 11.2766 11.2766 11.2766 11.2766 11.7841 11.7841 11.7841 11.7841 12.5324 12.5324 12.5324 12.5324 k = 0.1204 0.0695 0.1137 ( 5812 PWs) bands (ev): -1.8482 -1.8482 -1.8482 -1.8482 -1.8039 -1.8039 -1.8039 -1.8039 0.0357 0.0357 0.0357 0.0357 0.2332 0.2332 0.2332 0.2332 0.2940 0.2940 0.2940 0.2940 0.4756 0.4756 0.4756 0.4756 2.0971 2.0971 2.0971 2.0971 6.1251 6.1251 6.1251 6.1251 7.6857 7.6857 7.6857 7.6857 8.2129 8.2129 8.2129 8.2129 9.0830 9.0830 9.0830 9.0830 11.0129 11.0129 11.0129 11.0129 11.2765 11.2765 11.2765 11.2765 11.8167 11.8167 11.8167 11.8167 12.4901 12.4901 12.4901 12.4901 k = 0.1296 0.0748 0.1137 ( 5804 PWs) bands (ev): -1.8471 -1.8471 -1.8471 -1.8471 -1.8021 -1.8021 -1.8021 -1.8021 0.0548 0.0548 0.0548 0.0548 0.2342 0.2342 0.2342 0.2342 0.3037 0.3037 0.3037 0.3037 0.4739 0.4739 0.4739 0.4739 2.1282 2.1282 2.1282 2.1282 6.1661 6.1661 6.1661 6.1661 7.6419 7.6419 7.6419 7.6419 8.2220 8.2220 8.2220 8.2220 9.1084 9.1084 9.1084 9.1084 10.9439 10.9439 10.9439 10.9439 11.2777 11.2777 11.2777 11.2777 11.8507 11.8507 11.8507 11.8507 12.4504 12.4504 12.4504 12.4504 k = 0.1389 0.0802 0.1137 ( 5802 PWs) bands (ev): -1.8461 -1.8461 -1.8461 -1.8461 -1.8003 -1.8003 -1.8003 -1.8003 0.0742 0.0742 0.0742 0.0742 0.2352 0.2352 0.2352 0.2352 0.3140 0.3140 0.3140 0.3140 0.4727 0.4727 0.4727 0.4727 2.1621 2.1621 2.1621 2.1621 6.2091 6.2091 6.2091 6.2091 7.5994 7.5994 7.5994 7.5994 8.2311 8.2311 8.2311 8.2311 9.1317 9.1317 9.1317 9.1317 10.8719 10.8719 10.8719 10.8719 11.2786 11.2786 11.2786 11.2786 11.8858 11.8858 11.8858 11.8858 12.4137 12.4137 12.4137 12.4137 k = 0.1481 0.0855 0.1137 ( 5806 PWs) bands (ev): -1.8451 -1.8451 -1.8451 -1.8451 -1.7985 -1.7985 -1.7985 -1.7985 0.0939 0.0939 0.0939 0.0939 0.2362 0.2362 0.2362 0.2362 0.3247 0.3247 0.3247 0.3247 0.4718 0.4718 0.4718 0.4718 2.1990 2.1990 2.1990 2.1990 6.2537 6.2537 6.2537 6.2537 7.5587 7.5587 7.5587 7.5587 8.2402 8.2402 8.2402 8.2402 9.1530 9.1530 9.1530 9.1530 10.7980 10.7980 10.7980 10.7980 11.2781 11.2781 11.2781 11.2781 11.9218 11.9218 11.9218 11.9218 12.3806 12.3806 12.3806 12.3806 k = 0.1574 0.0909 0.1137 ( 5814 PWs) bands (ev): -1.8443 -1.8443 -1.8443 -1.8443 -1.7966 -1.7966 -1.7966 -1.7966 0.1133 0.1133 0.1133 0.1133 0.2372 0.2372 0.2372 0.2372 0.3360 0.3360 0.3360 0.3360 0.4717 0.4717 0.4717 0.4717 2.2389 2.2389 2.2389 2.2389 6.2995 6.2995 6.2995 6.2995 7.5200 7.5200 7.5200 7.5200 8.2490 8.2490 8.2490 8.2490 9.1722 9.1722 9.1722 9.1722 10.7230 10.7230 10.7230 10.7230 11.2753 11.2753 11.2753 11.2753 11.9583 11.9583 11.9583 11.9583 12.3517 12.3517 12.3517 12.3517 k = 0.1667 0.0962 0.1137 ( 5820 PWs) bands (ev): -1.8435 -1.8435 -1.8435 -1.8435 -1.7948 -1.7948 -1.7948 -1.7948 0.1324 0.1324 0.1324 0.1324 0.2381 0.2381 0.2381 0.2381 0.3477 0.3477 0.3477 0.3477 0.4723 0.4723 0.4723 0.4723 2.2819 2.2819 2.2819 2.2819 6.3460 6.3460 6.3460 6.3460 7.4838 7.4838 7.4838 7.4838 8.2576 8.2576 8.2576 8.2576 9.1891 9.1891 9.1891 9.1891 10.6474 10.6474 10.6474 10.6474 11.2696 11.2696 11.2696 11.2696 11.9950 11.9950 11.9950 11.9950 12.3276 12.3276 12.3276 12.3276 k = 0.1759 0.1016 0.1137 ( 5814 PWs) bands (ev): -1.8428 -1.8428 -1.8428 -1.8428 -1.7929 -1.7929 -1.7929 -1.7929 0.1508 0.1508 0.1508 0.1508 0.2390 0.2390 0.2390 0.2390 0.3600 0.3600 0.3600 0.3600 0.4740 0.4740 0.4740 0.4740 2.3282 2.3282 2.3282 2.3282 6.3928 6.3928 6.3928 6.3928 7.4506 7.4506 7.4506 7.4506 8.2657 8.2657 8.2657 8.2657 9.2038 9.2038 9.2038 9.2038 10.5719 10.5719 10.5719 10.5719 11.2600 11.2600 11.2600 11.2600 12.0316 12.0316 12.0316 12.0316 12.3088 12.3088 12.3088 12.3088 k = 0.1852 0.1069 0.1137 ( 5810 PWs) bands (ev): -1.8422 -1.8422 -1.8422 -1.8422 -1.7911 -1.7911 -1.7911 -1.7911 0.1682 0.1682 0.1682 0.1682 0.2398 0.2398 0.2398 0.2398 0.3725 0.3725 0.3725 0.3725 0.4770 0.4770 0.4770 0.4770 2.3779 2.3779 2.3779 2.3779 6.4392 6.4392 6.4392 6.4392 7.4210 7.4210 7.4210 7.4210 8.2733 8.2733 8.2733 8.2733 9.2163 9.2163 9.2163 9.2163 10.4968 10.4968 10.4968 10.4968 11.2460 11.2460 11.2460 11.2460 12.0679 12.0679 12.0679 12.0679 12.2961 12.2961 12.2961 12.2961 k = 0.1944 0.1123 0.1137 ( 5806 PWs) bands (ev): -1.8417 -1.8417 -1.8417 -1.8417 -1.7894 -1.7894 -1.7894 -1.7894 0.1843 0.1843 0.1843 0.1843 0.2405 0.2405 0.2405 0.2405 0.3854 0.3854 0.3854 0.3854 0.4814 0.4814 0.4814 0.4814 2.4310 2.4310 2.4310 2.4310 6.4842 6.4842 6.4842 6.4842 7.3954 7.3954 7.3954 7.3954 8.2804 8.2804 8.2804 8.2804 9.2267 9.2267 9.2267 9.2267 10.4226 10.4226 10.4226 10.4226 11.2269 11.2269 11.2269 11.2269 12.1035 12.1035 12.1035 12.1035 12.2900 12.2900 12.2900 12.2900 k = 0.2037 0.1176 0.1137 ( 5810 PWs) bands (ev): -1.8413 -1.8413 -1.8413 -1.8413 -1.7877 -1.7877 -1.7877 -1.7877 0.1989 0.1989 0.1989 0.1989 0.2412 0.2412 0.2412 0.2412 0.3984 0.3984 0.3984 0.3984 0.4874 0.4874 0.4874 0.4874 2.4876 2.4876 2.4876 2.4876 6.5271 6.5271 6.5271 6.5271 7.3748 7.3748 7.3748 7.3748 8.2868 8.2868 8.2868 8.2868 9.2349 9.2349 9.2349 9.2349 10.3496 10.3496 10.3496 10.3496 11.2021 11.2021 11.2021 11.2021 12.1382 12.1382 12.1382 12.1382 12.2908 12.2908 12.2908 12.2908 k = 0.2130 0.1230 0.1137 ( 5818 PWs) bands (ev): -1.8411 -1.8411 -1.8411 -1.8411 -1.7861 -1.7861 -1.7861 -1.7861 0.2116 0.2116 0.2116 0.2116 0.2420 0.2420 0.2420 0.2420 0.4113 0.4113 0.4113 0.4113 0.4953 0.4953 0.4953 0.4953 2.5477 2.5477 2.5477 2.5477 6.5667 6.5667 6.5667 6.5667 7.3600 7.3600 7.3600 7.3600 8.2924 8.2924 8.2924 8.2924 9.2411 9.2411 9.2411 9.2411 10.2781 10.2781 10.2781 10.2781 11.1712 11.1712 11.1712 11.1712 12.1718 12.1718 12.1718 12.1718 12.2991 12.2991 12.2991 12.2991 k = 0.2222 0.1283 0.1137 ( 5818 PWs) bands (ev): -1.8409 -1.8409 -1.8409 -1.8409 -1.7847 -1.7847 -1.7847 -1.7847 0.2217 0.2217 0.2217 0.2217 0.2435 0.2435 0.2435 0.2435 0.4239 0.4239 0.4239 0.4239 0.5052 0.5052 0.5052 0.5052 2.6116 2.6116 2.6116 2.6116 6.6020 6.6020 6.6020 6.6020 7.3517 7.3517 7.3517 7.3517 8.2973 8.2973 8.2973 8.2973 9.2454 9.2454 9.2454 9.2454 10.2083 10.2083 10.2083 10.2083 11.1338 11.1338 11.1338 11.1338 12.2041 12.2041 12.2041 12.2041 12.3150 12.3150 12.3150 12.3150 k = 0.2315 0.1336 0.1137 ( 5814 PWs) bands (ev): -1.8409 -1.8409 -1.8409 -1.8409 -1.7833 -1.7833 -1.7833 -1.7833 0.2280 0.2280 0.2280 0.2280 0.2471 0.2471 0.2471 0.2471 0.4362 0.4362 0.4362 0.4362 0.5171 0.5171 0.5171 0.5171 2.6791 2.6791 2.6791 2.6791 6.6318 6.6318 6.6318 6.6318 7.3507 7.3507 7.3507 7.3507 8.3013 8.3013 8.3013 8.3013 9.2479 9.2479 9.2479 9.2479 10.1407 10.1407 10.1407 10.1407 11.0898 11.0898 11.0898 11.0898 12.2356 12.2356 12.2356 12.2356 12.3380 12.3380 12.3380 12.3380 k = 0.2407 0.1390 0.1137 ( 5824 PWs) bands (ev): -1.8409 -1.8409 -1.8409 -1.8409 -1.7821 -1.7821 -1.7821 -1.7821 0.2301 0.2301 0.2301 0.2301 0.2531 0.2531 0.2531 0.2531 0.4479 0.4479 0.4479 0.4479 0.5309 0.5309 0.5309 0.5309 2.7503 2.7503 2.7503 2.7503 6.6553 6.6553 6.6553 6.6553 7.3576 7.3576 7.3576 7.3576 8.3045 8.3045 8.3045 8.3045 9.2487 9.2487 9.2487 9.2487 10.0753 10.0753 10.0753 10.0753 11.0390 11.0390 11.0390 11.0390 12.2668 12.2668 12.2668 12.2668 12.3671 12.3671 12.3671 12.3671 k = 0.2500 0.1443 0.1137 ( 5828 PWs) bands (ev): -1.8411 -1.8411 -1.8411 -1.8411 -1.7811 -1.7811 -1.7811 -1.7811 0.2297 0.2297 0.2297 0.2297 0.2600 0.2600 0.2600 0.2600 0.4592 0.4592 0.4592 0.4592 0.5461 0.5461 0.5461 0.5461 2.8253 2.8253 2.8253 2.8253 6.6723 6.6723 6.6723 6.6723 7.3723 7.3723 7.3723 7.3723 8.3068 8.3068 8.3068 8.3068 9.2481 9.2481 9.2481 9.2481 10.0124 10.0124 10.0124 10.0124 10.9812 10.9812 10.9812 10.9812 12.2990 12.2990 12.2990 12.2990 12.4012 12.4012 12.4012 12.4012 k = 0.2593 0.1497 0.1137 ( 5828 PWs) bands (ev): -1.8413 -1.8413 -1.8413 -1.8413 -1.7801 -1.7801 -1.7801 -1.7801 0.2280 0.2280 0.2280 0.2280 0.2668 0.2668 0.2668 0.2668 0.4701 0.4701 0.4701 0.4701 0.5626 0.5626 0.5626 0.5626 2.9040 2.9040 2.9040 2.9040 6.6826 6.6826 6.6826 6.6826 7.3942 7.3942 7.3942 7.3942 8.3083 8.3083 8.3083 8.3083 9.2461 9.2461 9.2461 9.2461 9.9523 9.9523 9.9523 9.9523 10.9164 10.9164 10.9164 10.9164 12.3327 12.3327 12.3327 12.3327 12.4392 12.4392 12.4392 12.4392 k = 0.2685 0.1550 0.1137 ( 5840 PWs) bands (ev): -1.8416 -1.8416 -1.8416 -1.8416 -1.7794 -1.7794 -1.7794 -1.7794 0.2256 0.2256 0.2256 0.2256 0.2731 0.2731 0.2731 0.2731 0.4806 0.4806 0.4806 0.4806 0.5799 0.5799 0.5799 0.5799 2.9865 2.9865 2.9865 2.9865 6.6871 6.6871 6.6871 6.6871 7.4224 7.4224 7.4224 7.4224 8.3089 8.3089 8.3089 8.3089 9.2430 9.2430 9.2430 9.2430 9.8949 9.8949 9.8949 9.8949 10.8446 10.8446 10.8446 10.8446 12.3686 12.3686 12.3686 12.3686 12.4801 12.4801 12.4801 12.4801 k = 0.2778 0.1604 0.1137 ( 5834 PWs) bands (ev): -1.8420 -1.8420 -1.8420 -1.8420 -1.7787 -1.7787 -1.7787 -1.7787 0.2226 0.2226 0.2226 0.2226 0.2790 0.2790 0.2790 0.2790 0.4908 0.4908 0.4908 0.4908 0.5977 0.5977 0.5977 0.5977 3.0726 3.0726 3.0726 3.0726 6.6865 6.6865 6.6865 6.6865 7.4555 7.4555 7.4555 7.4555 8.3087 8.3087 8.3087 8.3087 9.2388 9.2388 9.2388 9.2388 9.8406 9.8406 9.8406 9.8406 10.7657 10.7657 10.7657 10.7657 12.4068 12.4068 12.4068 12.4068 12.5235 12.5235 12.5235 12.5235 k = 0.2870 0.1657 0.1137 ( 5826 PWs) bands (ev): -1.8425 -1.8425 -1.8425 -1.8425 -1.7782 -1.7782 -1.7782 -1.7782 0.2192 0.2192 0.2192 0.2192 0.2844 0.2844 0.2844 0.2844 0.5008 0.5008 0.5008 0.5008 0.6158 0.6158 0.6158 0.6158 3.1623 3.1623 3.1623 3.1623 6.6818 6.6818 6.6818 6.6818 7.4921 7.4921 7.4921 7.4921 8.3077 8.3077 8.3077 8.3077 9.2337 9.2337 9.2337 9.2337 9.7894 9.7894 9.7894 9.7894 10.6801 10.6801 10.6801 10.6801 12.4472 12.4472 12.4472 12.4472 12.5689 12.5689 12.5689 12.5689 k = 0.2963 0.1711 0.1137 ( 5838 PWs) bands (ev): -1.8431 -1.8431 -1.8431 -1.8431 -1.7778 -1.7778 -1.7778 -1.7778 0.2154 0.2154 0.2154 0.2154 0.2894 0.2894 0.2894 0.2894 0.5105 0.5105 0.5105 0.5105 0.6338 0.6338 0.6338 0.6338 3.2556 3.2556 3.2556 3.2556 6.6738 6.6738 6.6738 6.6738 7.5307 7.5307 7.5307 7.5307 8.3060 8.3060 8.3060 8.3060 9.2276 9.2276 9.2276 9.2276 9.7414 9.7414 9.7414 9.7414 10.5881 10.5881 10.5881 10.5881 12.4897 12.4897 12.4897 12.4897 12.6161 12.6161 12.6161 12.6161 k = 0.3056 0.1764 0.1137 ( 5844 PWs) bands (ev): -1.8437 -1.8437 -1.8437 -1.8437 -1.7776 -1.7776 -1.7776 -1.7776 0.2114 0.2114 0.2114 0.2114 0.2941 0.2941 0.2941 0.2941 0.5200 0.5200 0.5200 0.5200 0.6516 0.6516 0.6516 0.6516 3.3524 3.3524 3.3524 3.3524 6.6635 6.6635 6.6635 6.6635 7.5701 7.5701 7.5701 7.5701 8.3036 8.3036 8.3036 8.3036 9.2204 9.2204 9.2204 9.2204 9.6969 9.6969 9.6969 9.6969 10.4901 10.4901 10.4901 10.4901 12.5340 12.5340 12.5340 12.5340 12.6648 12.6648 12.6648 12.6648 k = 0.3148 0.1818 0.1137 ( 5844 PWs) bands (ev): -1.8444 -1.8444 -1.8444 -1.8444 -1.7775 -1.7775 -1.7775 -1.7775 0.2073 0.2073 0.2073 0.2073 0.2984 0.2984 0.2984 0.2984 0.5293 0.5293 0.5293 0.5293 0.6691 0.6691 0.6691 0.6691 3.4525 3.4525 3.4525 3.4525 6.6513 6.6513 6.6513 6.6513 7.6091 7.6091 7.6091 7.6091 8.3006 8.3006 8.3006 8.3006 9.2120 9.2120 9.2120 9.2120 9.6557 9.6557 9.6557 9.6557 10.3872 10.3872 10.3872 10.3872 12.5800 12.5800 12.5800 12.5800 12.7148 12.7148 12.7148 12.7148 k = 0.3241 0.1871 0.1137 ( 5838 PWs) bands (ev): -1.8451 -1.8451 -1.8451 -1.8451 -1.7775 -1.7775 -1.7775 -1.7775 0.2030 0.2030 0.2030 0.2030 0.3025 0.3025 0.3025 0.3025 0.5383 0.5383 0.5383 0.5383 0.6861 0.6861 0.6861 0.6861 3.5558 3.5558 3.5558 3.5558 6.6377 6.6377 6.6377 6.6377 7.6469 7.6469 7.6469 7.6469 8.2971 8.2971 8.2971 8.2971 9.2018 9.2018 9.2018 9.2018 9.6178 9.6178 9.6178 9.6178 10.2807 10.2807 10.2807 10.2807 12.6273 12.6273 12.6273 12.6273 12.7657 12.7657 12.7657 12.7657 k = 0.3333 0.1925 0.1137 ( 5844 PWs) bands (ev): -1.8459 -1.8459 -1.8459 -1.8459 -1.7777 -1.7777 -1.7777 -1.7777 0.1986 0.1986 0.1986 0.1986 0.3062 0.3062 0.3062 0.3062 0.5470 0.5470 0.5470 0.5470 0.7026 0.7026 0.7026 0.7026 3.6622 3.6622 3.6622 3.6622 6.6230 6.6230 6.6230 6.6230 7.6827 7.6827 7.6827 7.6827 8.2931 8.2931 8.2931 8.2931 9.1892 9.1892 9.1892 9.1892 9.5828 9.5828 9.5828 9.5828 10.1724 10.1724 10.1724 10.1724 12.6757 12.6757 12.6757 12.6757 12.8173 12.8173 12.8173 12.8173 k = 0.3426 0.1978 0.1137 ( 5838 PWs) bands (ev): -1.8466 -1.8466 -1.8466 -1.8466 -1.7779 -1.7779 -1.7779 -1.7779 0.1943 0.1943 0.1943 0.1943 0.3098 0.3098 0.3098 0.3098 0.5554 0.5554 0.5554 0.5554 0.7184 0.7184 0.7184 0.7184 3.7715 3.7715 3.7715 3.7715 6.6073 6.6073 6.6073 6.6073 7.7160 7.7160 7.7160 7.7160 8.2887 8.2887 8.2887 8.2887 9.1731 9.1731 9.1731 9.1731 9.5498 9.5498 9.5498 9.5498 10.0651 10.0651 10.0651 10.0651 12.7248 12.7248 12.7248 12.7248 12.8694 12.8694 12.8694 12.8694 k = 0.3519 0.2031 0.1137 ( 5834 PWs) bands (ev): -1.8474 -1.8474 -1.8474 -1.8474 -1.7782 -1.7782 -1.7782 -1.7782 0.1900 0.1900 0.1900 0.1900 0.3130 0.3130 0.3130 0.3130 0.5635 0.5635 0.5635 0.5635 0.7335 0.7335 0.7335 0.7335 3.8835 3.8835 3.8835 3.8835 6.5909 6.5909 6.5909 6.5909 7.7464 7.7464 7.7464 7.7464 8.2840 8.2840 8.2840 8.2840 9.1522 9.1522 9.1522 9.1522 9.5172 9.5172 9.5172 9.5172 9.9627 9.9627 9.9627 9.9627 12.7743 12.7743 12.7743 12.7743 12.9216 12.9216 12.9216 12.9216 k = 0.3611 0.2085 0.1137 ( 5838 PWs) bands (ev): -1.8482 -1.8482 -1.8482 -1.8482 -1.7785 -1.7785 -1.7785 -1.7785 0.1858 0.1858 0.1858 0.1858 0.3160 0.3160 0.3160 0.3160 0.5712 0.5712 0.5712 0.5712 0.7478 0.7478 0.7478 0.7478 3.9979 3.9979 3.9979 3.9979 6.5736 6.5736 6.5736 6.5736 7.7737 7.7737 7.7737 7.7737 8.2791 8.2791 8.2791 8.2791 9.1245 9.1245 9.1245 9.1245 9.4822 9.4822 9.4822 9.4822 9.8710 9.8710 9.8710 9.8710 12.8237 12.8237 12.8237 12.8237 12.9736 12.9736 12.9736 12.9736 k = 0.3704 0.2138 0.1137 ( 5834 PWs) bands (ev): -1.8490 -1.8490 -1.8490 -1.8490 -1.7790 -1.7790 -1.7790 -1.7790 0.1817 0.1817 0.1817 0.1817 0.3188 0.3188 0.3188 0.3188 0.5786 0.5786 0.5786 0.5786 0.7613 0.7613 0.7613 0.7613 4.1145 4.1145 4.1145 4.1145 6.5554 6.5554 6.5554 6.5554 7.7977 7.7977 7.7977 7.7977 8.2740 8.2740 8.2740 8.2740 9.0872 9.0872 9.0872 9.0872 9.4419 9.4419 9.4419 9.4419 9.7963 9.7963 9.7963 9.7963 12.8727 12.8727 12.8727 12.8727 13.0252 13.0252 13.0252 13.0252 k = 0.3796 0.2192 0.1137 ( 5838 PWs) bands (ev): -1.8498 -1.8498 -1.8498 -1.8498 -1.7794 -1.7794 -1.7794 -1.7794 0.1777 0.1777 0.1777 0.1777 0.3214 0.3214 0.3214 0.3214 0.5856 0.5856 0.5856 0.5856 0.7740 0.7740 0.7740 0.7740 4.2329 4.2329 4.2329 4.2329 6.5361 6.5361 6.5361 6.5361 7.8185 7.8185 7.8185 7.8185 8.2688 8.2688 8.2688 8.2688 9.0371 9.0371 9.0371 9.0371 9.3957 9.3957 9.3957 9.3957 9.7433 9.7433 9.7433 9.7433 12.9206 12.9206 12.9206 12.9206 13.0760 13.0760 13.0760 13.0760 k = 0.3889 0.2245 0.1137 ( 5842 PWs) bands (ev): -1.8506 -1.8506 -1.8506 -1.8506 -1.7800 -1.7800 -1.7800 -1.7800 0.1739 0.1739 0.1739 0.1739 0.3237 0.3237 0.3237 0.3237 0.5922 0.5922 0.5922 0.5922 0.7858 0.7858 0.7858 0.7858 4.3528 4.3528 4.3528 4.3528 6.5155 6.5155 6.5155 6.5155 7.8363 7.8363 7.8363 7.8363 8.2636 8.2636 8.2636 8.2636 8.9716 8.9716 8.9716 8.9716 9.3481 9.3481 9.3481 9.3481 9.7113 9.7113 9.7113 9.7113 12.9670 12.9670 12.9670 12.9670 13.1258 13.1258 13.1258 13.1258 k = 0.3981 0.2299 0.1137 ( 5844 PWs) bands (ev): -1.8514 -1.8514 -1.8514 -1.8514 -1.7805 -1.7805 -1.7805 -1.7805 0.1704 0.1704 0.1704 0.1704 0.3258 0.3258 0.3258 0.3258 0.5983 0.5983 0.5983 0.5983 0.7967 0.7967 0.7967 0.7967 4.4737 4.4737 4.4737 4.4737 6.4932 6.4932 6.4932 6.4932 7.8513 7.8513 7.8513 7.8513 8.2584 8.2584 8.2584 8.2584 8.8906 8.8906 8.8906 8.8906 9.3045 9.3045 9.3045 9.3045 9.6954 9.6954 9.6954 9.6954 13.0113 13.0113 13.0113 13.0113 13.1744 13.1744 13.1744 13.1744 k = 0.4074 0.2352 0.1137 ( 5858 PWs) bands (ev): -1.8521 -1.8521 -1.8521 -1.8521 -1.7810 -1.7810 -1.7810 -1.7810 0.1670 0.1670 0.1670 0.1670 0.3276 0.3276 0.3276 0.3276 0.6040 0.6040 0.6040 0.6040 0.8067 0.8067 0.8067 0.8067 4.5952 4.5952 4.5952 4.5952 6.4690 6.4690 6.4690 6.4690 7.8636 7.8636 7.8636 7.8636 8.2533 8.2533 8.2533 8.2533 8.7977 8.7977 8.7977 8.7977 9.2677 9.2677 9.2677 9.2677 9.6904 9.6904 9.6904 9.6904 13.0530 13.0530 13.0530 13.0530 13.2213 13.2213 13.2213 13.2213 k = 0.4167 0.2406 0.1137 ( 5838 PWs) bands (ev): -1.8527 -1.8527 -1.8527 -1.8527 -1.7815 -1.7815 -1.7815 -1.7815 0.1640 0.1640 0.1640 0.1640 0.3293 0.3293 0.3293 0.3293 0.6093 0.6093 0.6093 0.6093 0.8158 0.8158 0.8158 0.8158 4.7165 4.7165 4.7165 4.7165 6.4424 6.4424 6.4424 6.4424 7.8737 7.8737 7.8737 7.8737 8.2482 8.2482 8.2482 8.2482 8.6981 8.6981 8.6981 8.6981 9.2376 9.2376 9.2376 9.2376 9.6923 9.6923 9.6923 9.6923 13.0915 13.0915 13.0915 13.0915 13.2665 13.2665 13.2665 13.2665 k = 0.4259 0.2459 0.1137 ( 5842 PWs) bands (ev): -1.8534 -1.8534 -1.8534 -1.8534 -1.7820 -1.7820 -1.7820 -1.7820 0.1612 0.1612 0.1612 0.1612 0.3308 0.3308 0.3308 0.3308 0.6140 0.6140 0.6140 0.6140 0.8240 0.8240 0.8240 0.8240 4.8369 4.8369 4.8369 4.8369 6.4129 6.4129 6.4129 6.4129 7.8819 7.8819 7.8819 7.8819 8.2430 8.2430 8.2430 8.2430 8.5969 8.5969 8.5969 8.5969 9.2131 9.2131 9.2131 9.2131 9.6984 9.6984 9.6984 9.6984 13.1263 13.1263 13.1263 13.1263 13.3093 13.3093 13.3093 13.3093 k = 0.4352 0.2513 0.1137 ( 5846 PWs) bands (ev): -1.8539 -1.8539 -1.8539 -1.8539 -1.7825 -1.7825 -1.7825 -1.7825 0.1587 0.1587 0.1587 0.1587 0.3321 0.3321 0.3321 0.3321 0.6183 0.6183 0.6183 0.6183 0.8312 0.8312 0.8312 0.8312 4.9553 4.9553 4.9553 4.9553 6.3802 6.3802 6.3802 6.3802 7.8884 7.8884 7.8884 7.8884 8.2376 8.2376 8.2376 8.2376 8.4988 8.4988 8.4988 8.4988 9.1928 9.1928 9.1928 9.1928 9.7067 9.7067 9.7067 9.7067 13.1573 13.1573 13.1573 13.1573 13.3494 13.3494 13.3494 13.3494 k = 0.4444 0.2566 0.1137 ( 5846 PWs) bands (ev): -1.8545 -1.8545 -1.8545 -1.8545 -1.7829 -1.7829 -1.7829 -1.7829 0.1565 0.1565 0.1565 0.1565 0.3332 0.3332 0.3332 0.3332 0.6220 0.6220 0.6220 0.6220 0.8375 0.8375 0.8375 0.8375 5.0704 5.0704 5.0704 5.0704 6.3441 6.3441 6.3441 6.3441 7.8937 7.8937 7.8937 7.8937 8.2309 8.2309 8.2309 8.2309 8.4080 8.4080 8.4080 8.4080 9.1762 9.1762 9.1762 9.1762 9.7160 9.7160 9.7160 9.7160 13.1840 13.1840 13.1840 13.1840 13.3863 13.3863 13.3863 13.3863 k = 0.4537 0.2619 0.1137 ( 5846 PWs) bands (ev): -1.8549 -1.8549 -1.8549 -1.8549 -1.7833 -1.7833 -1.7833 -1.7833 0.1546 0.1546 0.1546 0.1546 0.3341 0.3341 0.3341 0.3341 0.6252 0.6252 0.6252 0.6252 0.8428 0.8428 0.8428 0.8428 5.1805 5.1805 5.1805 5.1805 6.3047 6.3047 6.3047 6.3047 7.8979 7.8979 7.8979 7.8979 8.2204 8.2204 8.2204 8.2204 8.3304 8.3304 8.3304 8.3304 9.1626 9.1626 9.1626 9.1626 9.7252 9.7252 9.7252 9.7252 13.2066 13.2066 13.2066 13.2066 13.4193 13.4193 13.4193 13.4193 k = 0.4630 0.2673 0.1137 ( 5842 PWs) bands (ev): -1.8552 -1.8552 -1.8552 -1.8552 -1.7836 -1.7836 -1.7836 -1.7836 0.1530 0.1530 0.1530 0.1530 0.3348 0.3348 0.3348 0.3348 0.6278 0.6278 0.6278 0.6278 0.8471 0.8471 0.8471 0.8471 5.2831 5.2831 5.2831 5.2831 6.2628 6.2628 6.2628 6.2628 7.9014 7.9014 7.9014 7.9014 8.1975 8.1975 8.1975 8.1975 8.2770 8.2770 8.2770 8.2770 9.1517 9.1517 9.1517 9.1517 9.7337 9.7337 9.7337 9.7337 13.2249 13.2249 13.2249 13.2249 13.4477 13.4477 13.4477 13.4477 k = 0.4722 0.2726 0.1137 ( 5842 PWs) bands (ev): -1.8555 -1.8555 -1.8555 -1.8555 -1.7838 -1.7838 -1.7838 -1.7838 0.1518 0.1518 0.1518 0.1518 0.3354 0.3354 0.3354 0.3354 0.6298 0.6298 0.6298 0.6298 0.8505 0.8505 0.8505 0.8505 5.3744 5.3744 5.3744 5.3744 6.2206 6.2206 6.2206 6.2206 7.9043 7.9043 7.9043 7.9043 8.1582 8.1582 8.1582 8.1582 8.2541 8.2541 8.2541 8.2541 9.1434 9.1434 9.1434 9.1434 9.7408 9.7408 9.7408 9.7408 13.2390 13.2390 13.2390 13.2390 13.4707 13.4707 13.4707 13.4707 k = 0.4815 0.2780 0.1137 ( 5844 PWs) bands (ev): -1.8557 -1.8557 -1.8557 -1.8557 -1.7840 -1.7840 -1.7840 -1.7840 0.1509 0.1509 0.1509 0.1509 0.3358 0.3358 0.3358 0.3358 0.6313 0.6313 0.6313 0.6313 0.8529 0.8529 0.8529 0.8529 5.4492 5.4492 5.4492 5.4492 6.1820 6.1820 6.1820 6.1820 7.9068 7.9068 7.9068 7.9068 8.1202 8.1202 8.1202 8.1202 8.2458 8.2458 8.2458 8.2458 9.1375 9.1375 9.1375 9.1375 9.7462 9.7462 9.7462 9.7462 13.2490 13.2490 13.2490 13.2490 13.4878 13.4878 13.4878 13.4878 k = 0.4907 0.2833 0.1137 ( 5854 PWs) bands (ev): -1.8559 -1.8559 -1.8559 -1.8559 -1.7841 -1.7841 -1.7841 -1.7841 0.1504 0.1504 0.1504 0.1504 0.3360 0.3360 0.3360 0.3360 0.6322 0.6322 0.6322 0.6322 0.8544 0.8544 0.8544 0.8544 5.4997 5.4997 5.4997 5.4997 6.1537 6.1537 6.1537 6.1537 7.9085 7.9085 7.9085 7.9085 8.0950 8.0950 8.0950 8.0950 8.2424 8.2424 8.2424 8.2424 9.1341 9.1341 9.1341 9.1341 9.7495 9.7495 9.7495 9.7495 13.2549 13.2549 13.2549 13.2549 13.4983 13.4983 13.4983 13.4983 k = 0.5000 0.2887 0.1137 ( 5844 PWs) bands (ev): -1.8559 -1.8559 -1.8559 -1.8559 -1.7841 -1.7841 -1.7841 -1.7841 0.1502 0.1502 0.1502 0.1502 0.3361 0.3361 0.3361 0.3361 0.6325 0.6325 0.6325 0.6325 0.8549 0.8549 0.8549 0.8549 5.5178 5.5178 5.5178 5.5178 6.1430 6.1430 6.1430 6.1430 7.9091 7.9091 7.9091 7.9091 8.0863 8.0863 8.0863 8.0863 8.2414 8.2414 8.2414 8.2414 9.1329 9.1329 9.1329 9.1329 9.7506 9.7506 9.7506 9.7506 13.2569 13.2569 13.2569 13.2569 13.5019 13.5019 13.5019 13.5019 k = 0.5000 0.2887 0.1137 ( 5844 PWs) bands (ev): -1.8559 -1.8559 -1.8559 -1.8559 -1.7841 -1.7841 -1.7841 -1.7841 0.1502 0.1502 0.1502 0.1502 0.3361 0.3361 0.3361 0.3361 0.6325 0.6325 0.6325 0.6325 0.8549 0.8549 0.8549 0.8549 5.5178 5.5178 5.5178 5.5178 6.1430 6.1430 6.1430 6.1430 7.9091 7.9091 7.9091 7.9091 8.0863 8.0863 8.0863 8.0863 8.2414 8.2414 8.2414 8.2414 9.1329 9.1329 9.1329 9.1329 9.7506 9.7506 9.7506 9.7506 13.2569 13.2569 13.2569 13.2569 13.5019 13.5019 13.5019 13.5019 k = 0.4948 0.2977 0.1137 ( 5848 PWs) bands (ev): -1.8562 -1.8562 -1.8552 -1.8552 -1.7842 -1.7842 -1.7841 -1.7841 0.1501 0.1501 0.1507 0.1507 0.3360 0.3360 0.3362 0.3362 0.6307 0.6307 0.6335 0.6335 0.8543 0.8543 0.8558 0.8558 5.5180 5.5180 5.5189 5.5189 6.1442 6.1442 6.1449 6.1449 7.9088 7.9088 7.9096 7.9096 8.0775 8.0775 8.0945 8.0945 8.2343 8.2343 8.2469 8.2469 9.1339 9.1339 9.1379 9.1379 9.7498 9.7498 9.7530 9.7530 13.2420 13.2420 13.2431 13.2431 13.4958 13.4958 13.4985 13.4985 k = 0.4896 0.3067 0.1137 ( 5848 PWs) bands (ev): -1.8561 -1.8561 -1.8542 -1.8542 -1.7843 -1.7843 -1.7839 -1.7839 0.1502 0.1502 0.1514 0.1514 0.3361 0.3361 0.3365 0.3365 0.6281 0.6281 0.6337 0.6337 0.8542 0.8542 0.8571 0.8571 5.5197 5.5197 5.5214 5.5214 6.1484 6.1484 6.1499 6.1499 7.9088 7.9088 7.9103 7.9103 8.0680 8.0680 8.1020 8.1020 8.2260 8.2260 8.2512 8.2512 9.1407 9.1407 9.1488 9.1488 9.7506 9.7506 9.7570 9.7570 13.2003 13.2003 13.2019 13.2019 13.4833 13.4833 13.4862 13.4862 k = 0.4844 0.3157 0.1137 ( 5850 PWs) bands (ev): -1.8556 -1.8556 -1.8527 -1.8527 -1.7843 -1.7843 -1.7838 -1.7838 0.1507 0.1507 0.1524 0.1524 0.3363 0.3363 0.3368 0.3368 0.6248 0.6248 0.6330 0.6330 0.8545 0.8545 0.8587 0.8587 5.5226 5.5226 5.5252 5.5252 6.1557 6.1557 6.1578 6.1578 7.9088 7.9088 7.9112 7.9112 8.0573 8.0573 8.1078 8.1078 8.2177 8.2177 8.2549 8.2549 9.1530 9.1530 9.1652 9.1652 9.7531 9.7531 9.7626 9.7626 13.1362 13.1362 13.1383 13.1383 13.4672 13.4672 13.4674 13.4674 k = 0.4792 0.3248 0.1137 ( 5846 PWs) bands (ev): -1.8548 -1.8548 -1.8509 -1.8509 -1.7843 -1.7843 -1.7836 -1.7836 0.1515 0.1515 0.1537 0.1537 0.3366 0.3366 0.3373 0.3373 0.6208 0.6208 0.6315 0.6315 0.8552 0.8552 0.8607 0.8607 5.5269 5.5269 5.5303 5.5303 6.1659 6.1659 6.1688 6.1688 7.9089 7.9089 7.9122 7.9122 8.0451 8.0451 8.1100 8.1100 8.2119 8.2119 8.2591 8.2591 9.1702 9.1702 9.1865 9.1865 9.7573 9.7573 9.7698 9.7698 13.0558 13.0558 13.0584 13.0584 13.4430 13.4430 13.4483 13.4483 k = 0.4740 0.3338 0.1137 ( 5840 PWs) bands (ev): -1.8535 -1.8535 -1.8488 -1.8488 -1.7843 -1.7843 -1.7834 -1.7834 0.1526 0.1526 0.1553 0.1553 0.3371 0.3371 0.3378 0.3378 0.6161 0.6161 0.6291 0.6291 0.8564 0.8564 0.8629 0.8629 5.5326 5.5326 5.5367 5.5367 6.1792 6.1792 6.1828 6.1828 7.9088 7.9088 7.9130 7.9130 8.0311 8.0311 8.1059 8.1059 8.2121 8.2121 8.2646 8.2646 9.1915 9.1915 9.2120 9.2120 9.7633 9.7633 9.7789 9.7789 12.9643 12.9643 12.9681 12.9681 13.4127 13.4127 13.4255 13.4255 k = 0.4688 0.3428 0.1137 ( 5842 PWs) bands (ev): -1.8520 -1.8520 -1.8464 -1.8464 -1.7842 -1.7842 -1.7831 -1.7831 0.1540 0.1540 0.1571 0.1571 0.3376 0.3376 0.3384 0.3384 0.6108 0.6108 0.6259 0.6259 0.8581 0.8581 0.8654 0.8654 5.5395 5.5395 5.5443 5.5443 6.1955 6.1955 6.1997 6.1997 7.9082 7.9082 7.9132 7.9132 8.0154 8.0154 8.0947 8.0947 8.2196 8.2196 8.2723 8.2723 9.2161 9.2161 9.2409 9.2409 9.7713 9.7713 9.7899 9.7899 12.8660 12.8660 12.8712 12.8712 13.3752 13.3752 13.3979 13.3979 k = 0.4635 0.3518 0.1137 ( 5846 PWs) bands (ev): -1.8501 -1.8501 -1.8438 -1.8438 -1.7842 -1.7842 -1.7827 -1.7827 0.1558 0.1558 0.1592 0.1592 0.3383 0.3383 0.3390 0.3390 0.6049 0.6049 0.6218 0.6218 0.8602 0.8602 0.8682 0.8682 5.5476 5.5476 5.5531 5.5531 6.2147 6.2147 6.2195 6.2195 7.9069 7.9069 7.9122 7.9122 7.9988 7.9988 8.0783 8.0783 8.2338 8.2338 8.2826 8.2826 9.2431 9.2431 9.2723 9.2723 9.7815 9.7815 9.8031 9.8031 12.7635 12.7635 12.7707 12.7707 13.3296 13.3296 13.3641 13.3641 k = 0.4583 0.3608 0.1137 ( 5840 PWs) bands (ev): -1.8479 -1.8479 -1.8409 -1.8409 -1.7841 -1.7841 -1.7823 -1.7823 0.1580 0.1580 0.1617 0.1617 0.3391 0.3391 0.3397 0.3397 0.5983 0.5983 0.6170 0.6170 0.8628 0.8628 0.8712 0.8712 5.5570 5.5570 5.5631 5.5631 6.2368 6.2368 6.2421 6.2421 7.9041 7.9041 7.9083 7.9083 7.9830 7.9830 8.0593 8.0593 8.2531 8.2531 8.2959 8.2959 9.2716 9.2716 9.3053 9.3053 9.7940 9.7940 9.8187 9.8187 12.6588 12.6588 12.6682 12.6682 13.2757 13.2757 13.3231 13.3231 k = 0.4531 0.3699 0.1137 ( 5844 PWs) bands (ev): -1.8454 -1.8454 -1.8378 -1.8378 -1.7841 -1.7841 -1.7818 -1.7818 0.1605 0.1605 0.1643 0.1643 0.3401 0.3401 0.3405 0.3405 0.5913 0.5913 0.6113 0.6113 0.8658 0.8658 0.8744 0.8744 5.5675 5.5675 5.5742 5.5742 6.2616 6.2616 6.2675 6.2675 7.8989 7.8989 7.8994 7.8994 7.9705 7.9705 8.0401 8.0401 8.2762 8.2762 8.3120 8.3120 9.3005 9.3005 9.3389 9.3389 9.8092 9.8092 9.8371 9.8371 12.5533 12.5533 12.5650 12.5650 13.2139 13.2139 13.2744 13.2744 k = 0.4479 0.3789 0.1137 ( 5856 PWs) bands (ev): -1.8428 -1.8428 -1.8347 -1.8347 -1.7840 -1.7840 -1.7812 -1.7812 0.1634 0.1634 0.1672 0.1672 0.3411 0.3411 0.3413 0.3413 0.5836 0.5836 0.6049 0.6049 0.8692 0.8692 0.8779 0.8779 5.5791 5.5791 5.5863 5.5863 6.2892 6.2892 6.2955 6.2955 7.8837 7.8837 7.8902 7.8902 7.9633 7.9633 8.0229 8.0229 8.3027 8.3027 8.3310 8.3310 9.3288 9.3288 9.3721 9.3721 9.8273 9.8273 9.8588 9.8588 12.4477 12.4477 12.4619 12.4619 13.1454 13.1454 13.2178 13.2178 k = 0.4427 0.3879 0.1137 ( 5856 PWs) bands (ev): -1.8399 -1.8399 -1.8314 -1.8314 -1.7839 -1.7839 -1.7805 -1.7805 0.1666 0.1666 0.1705 0.1705 0.3421 0.3421 0.3423 0.3423 0.5755 0.5755 0.5979 0.5979 0.8729 0.8729 0.8815 0.8815 5.5918 5.5918 5.5994 5.5994 6.3192 6.3192 6.3260 6.3260 7.8623 7.8623 7.8768 7.8768 7.9608 7.9608 8.0095 8.0095 8.3320 8.3320 8.3526 8.3526 9.3558 9.3558 9.4040 9.4040 9.8487 9.8487 9.8841 9.8841 12.3429 12.3429 12.3596 12.3596 13.0715 13.0715 13.1539 13.1539 k = 0.4375 0.3969 0.1137 ( 5844 PWs) bands (ev): -1.8368 -1.8368 -1.8282 -1.8282 -1.7838 -1.7838 -1.7797 -1.7797 0.1703 0.1703 0.1740 0.1740 0.3429 0.3429 0.3436 0.3436 0.5669 0.5669 0.5903 0.5903 0.8769 0.8769 0.8852 0.8852 5.6055 5.6055 5.6135 5.6135 6.3517 6.3517 6.3590 6.3590 7.8372 7.8372 7.8584 7.8584 7.9613 7.9613 8.0006 8.0006 8.3640 8.3640 8.3766 8.3766 9.3805 9.3805 9.4336 9.4336 9.8733 9.8733 9.9134 9.9134 12.2393 12.2393 12.2586 12.2586 12.9937 12.9937 13.0838 13.0838 k = 0.4323 0.4059 0.1137 ( 5846 PWs) bands (ev): -1.8337 -1.8337 -1.8250 -1.8250 -1.7837 -1.7837 -1.7787 -1.7787 0.1744 0.1744 0.1777 0.1777 0.3438 0.3438 0.3450 0.3450 0.5579 0.5579 0.5821 0.5821 0.8813 0.8813 0.8891 0.8891 5.6202 5.6202 5.6286 5.6286 6.3864 6.3864 6.3942 6.3942 7.8099 7.8099 7.8358 7.8358 7.9636 7.9636 7.9958 7.9958 8.3983 8.3983 8.4027 8.4027 9.4024 9.4024 9.4603 9.4603 9.9011 9.9011 9.9469 9.9469 12.1376 12.1376 12.1592 12.1592 12.9133 12.9133 13.0087 13.0087 k = 0.4271 0.4150 0.1137 ( 5840 PWs) bands (ev): -1.8304 -1.8304 -1.8219 -1.8219 -1.7836 -1.7836 -1.7775 -1.7775 0.1788 0.1788 0.1817 0.1817 0.3447 0.3447 0.3465 0.3465 0.5486 0.5486 0.5734 0.5734 0.8858 0.8858 0.8932 0.8932 5.6358 5.6358 5.6445 5.6445 6.4232 6.4232 6.4314 6.4314 7.7814 7.7814 7.8101 7.8101 7.9670 7.9670 7.9942 7.9942 8.4307 8.4307 8.4349 8.4349 9.4210 9.4210 9.4837 9.4837 9.9318 9.9318 9.9845 9.9845 12.0382 12.0382 12.0618 12.0618 12.8314 12.8314 12.9299 12.9299 k = 0.4219 0.4240 0.1137 ( 5850 PWs) bands (ev): -1.8272 -1.8272 -1.8191 -1.8191 -1.7835 -1.7835 -1.7761 -1.7761 0.1836 0.1836 0.1859 0.1859 0.3456 0.3456 0.3480 0.3480 0.5388 0.5388 0.5643 0.5643 0.8905 0.8905 0.8973 0.8973 5.6523 5.6523 5.6612 5.6612 6.4618 6.4618 6.4705 6.4705 7.7521 7.7521 7.7824 7.7824 7.9711 7.9711 7.9950 7.9950 8.4603 8.4603 8.4736 8.4736 9.4362 9.4362 9.5035 9.5035 9.9646 9.9646 10.0257 10.0257 11.9416 11.9416 11.9666 11.9666 12.7492 12.7492 12.8489 12.8489 k = 0.4167 0.4330 0.1137 ( 5854 PWs) bands (ev): -1.8239 -1.8239 -1.8165 -1.8165 -1.7834 -1.7834 -1.7746 -1.7746 0.1889 0.1889 0.1903 0.1903 0.3465 0.3465 0.3498 0.3498 0.5288 0.5288 0.5549 0.5549 0.8952 0.8952 0.9015 0.9015 5.6697 5.6697 5.6788 5.6788 6.5020 6.5020 6.5113 6.5113 7.7225 7.7225 7.7534 7.7534 7.9758 7.9758 7.9974 7.9974 8.4910 8.4910 8.5142 8.5142 9.4480 9.4480 9.5200 9.5200 9.9984 9.9984 10.0698 10.0698 11.8486 11.8486 11.8743 11.8743 12.6676 12.6676 12.7668 12.7668 k = 0.4115 0.4420 0.1137 ( 5850 PWs) bands (ev): -1.8206 -1.8206 -1.8141 -1.8141 -1.7833 -1.7833 -1.7728 -1.7728 0.1945 0.1945 0.1949 0.1949 0.3474 0.3474 0.3516 0.3516 0.5185 0.5185 0.5453 0.5453 0.9001 0.9001 0.9056 0.9056 5.6878 5.6878 5.6971 5.6971 6.5435 6.5435 6.5535 6.5535 7.6926 7.6926 7.7238 7.7238 7.9810 7.9810 8.0011 8.0011 8.5227 8.5227 8.5565 8.5565 9.4566 9.4566 9.5333 9.5333 10.0320 10.0320 10.1158 10.1158 11.7601 11.7601 11.7851 11.7851 12.5876 12.5876 12.6849 12.6849 k = 0.4062 0.4511 0.1137 ( 5848 PWs) bands (ev): -1.8175 -1.8175 -1.8121 -1.8121 -1.7831 -1.7831 -1.7708 -1.7708 0.1996 0.1996 0.2004 0.2004 0.3484 0.3484 0.3535 0.3535 0.5081 0.5081 0.5354 0.5354 0.9049 0.9049 0.9098 0.9098 5.7066 5.7066 5.7162 5.7162 6.5860 6.5860 6.5968 6.5968 7.6627 7.6627 7.6938 7.6938 7.9865 7.9865 8.0056 8.0056 8.5548 8.5548 8.6002 8.6002 9.4623 9.4623 9.5440 9.5440 10.0636 10.0636 10.1622 10.1622 11.6772 11.6772 11.7000 11.7000 12.5099 12.5099 12.6043 12.6043 k = 0.4010 0.4601 0.1137 ( 5852 PWs) bands (ev): -1.8145 -1.8145 -1.8103 -1.8103 -1.7829 -1.7829 -1.7687 -1.7687 0.2045 0.2045 0.2067 0.2067 0.3493 0.3493 0.3556 0.3556 0.4974 0.4974 0.5255 0.5255 0.9097 0.9097 0.9140 0.9140 5.7261 5.7261 5.7358 5.7358 6.6293 6.6293 6.6411 6.6411 7.6328 7.6328 7.6637 7.6637 7.9924 7.9924 8.0109 8.0109 8.5871 8.5871 8.6453 8.6453 9.4653 9.4653 9.5523 9.5523 10.0914 10.0914 10.2076 10.2076 11.6011 11.6011 11.6198 11.6198 12.4355 12.4355 12.5261 12.5261 k = 0.3958 0.4691 0.1137 ( 5860 PWs) bands (ev): -1.8116 -1.8116 -1.8089 -1.8089 -1.7827 -1.7827 -1.7665 -1.7665 0.2093 0.2093 0.2132 0.2132 0.3503 0.3503 0.3578 0.3578 0.4867 0.4867 0.5155 0.5155 0.9144 0.9144 0.9180 0.9180 5.7462 5.7462 5.7559 5.7559 6.6730 6.6730 6.6859 6.6859 7.6029 7.6029 7.6337 7.6337 7.9985 7.9985 8.0168 8.0168 8.6190 8.6190 8.6915 8.6915 9.4660 9.4660 9.5589 9.5589 10.1132 10.1132 10.2501 10.2501 11.5335 11.5335 11.5457 11.5457 12.3650 12.3650 12.4513 12.4513 k = 0.3906 0.4781 0.1137 ( 5864 PWs) bands (ev): -1.8090 -1.8090 -1.8077 -1.8077 -1.7825 -1.7825 -1.7643 -1.7643 0.2142 0.2142 0.2200 0.2200 0.3513 0.3513 0.3601 0.3601 0.4759 0.4759 0.5056 0.5056 0.9190 0.9190 0.9219 0.9219 5.7666 5.7666 5.7765 5.7765 6.7168 6.7168 6.7310 6.7310 7.5731 7.5731 7.6038 7.6038 8.0049 8.0049 8.0231 8.0231 8.6502 8.6502 8.7386 8.7386 9.4644 9.4644 9.5641 9.5641 10.1271 10.1271 10.2876 10.2876 11.4760 11.4760 11.4792 11.4792 12.2994 12.2994 12.3810 12.3810 k = 0.3854 0.4871 0.1137 ( 5870 PWs) bands (ev): -1.8067 -1.8067 -1.8066 -1.8066 -1.7822 -1.7822 -1.7621 -1.7621 0.2191 0.2191 0.2270 0.2270 0.3523 0.3523 0.3626 0.3626 0.4652 0.4652 0.4957 0.4957 0.9233 0.9233 0.9257 0.9257 5.7873 5.7873 5.7973 5.7973 6.7603 6.7603 6.7761 6.7761 7.5432 7.5432 7.5741 7.5741 8.0114 8.0114 8.0297 8.0297 8.6802 8.6802 8.7863 8.7863 9.4609 9.4609 9.5683 9.5683 10.1313 10.1313 10.3181 10.3181 11.4221 11.4221 11.4298 11.4298 12.2392 12.2392 12.3160 12.3160 k = 0.3802 0.4962 0.1137 ( 5874 PWs) bands (ev): -1.8059 -1.8059 -1.8045 -1.8045 -1.7819 -1.7819 -1.7599 -1.7599 0.2237 0.2237 0.2341 0.2341 0.3534 0.3534 0.3653 0.3653 0.4545 0.4545 0.4861 0.4861 0.9275 0.9275 0.9293 0.9293 5.8081 5.8081 5.8182 5.8182 6.8032 6.8032 6.8208 6.8208 7.5134 7.5134 7.5447 7.5447 8.0179 8.0179 8.0365 8.0365 8.7085 8.7085 8.8343 8.8343 9.4554 9.4554 9.5718 9.5718 10.1250 10.1250 10.3396 10.3396 11.3759 11.3759 11.3957 11.3957 12.1852 12.1852 12.2573 12.2573 k = 0.3750 0.5052 0.1137 ( 5884 PWs) bands (ev): -1.8053 -1.8053 -1.8026 -1.8026 -1.7815 -1.7815 -1.7579 -1.7579 0.2282 0.2282 0.2412 0.2412 0.3546 0.3546 0.3681 0.3681 0.4440 0.4440 0.4768 0.4768 0.9313 0.9313 0.9326 0.9326 5.8288 5.8288 5.8389 5.8389 6.8449 6.8449 6.8649 6.8649 7.4834 7.4834 7.5157 7.5157 8.0244 8.0244 8.0433 8.0433 8.7347 8.7347 8.8824 8.8824 9.4476 9.4476 9.5747 9.5747 10.1085 10.1085 10.3510 10.3510 11.3415 11.3415 11.3733 11.3733 12.1381 12.1381 12.2056 12.2056 k = 0.3698 0.5142 0.1137 ( 5874 PWs) bands (ev): -1.8049 -1.8049 -1.8010 -1.8010 -1.7811 -1.7811 -1.7560 -1.7560 0.2323 0.2323 0.2483 0.2483 0.3560 0.3560 0.3711 0.3711 0.4338 0.4338 0.4679 0.4679 0.9348 0.9348 0.9357 0.9357 5.8490 5.8490 5.8592 5.8592 6.8851 6.8851 6.9081 6.9081 7.4533 7.4533 7.4872 7.4872 8.0306 8.0306 8.0500 8.0500 8.7583 8.7583 8.9303 8.9303 9.4374 9.4374 9.5773 9.5773 10.0833 10.0833 10.3522 10.3522 11.3188 11.3188 11.3611 11.3611 12.0984 12.0984 12.1615 12.1615 k = 0.3646 0.5232 0.1137 ( 5870 PWs) bands (ev): -1.8045 -1.8045 -1.7997 -1.7997 -1.7807 -1.7807 -1.7543 -1.7543 0.2361 0.2361 0.2551 0.2551 0.3575 0.3575 0.3743 0.3743 0.4240 0.4240 0.4595 0.4595 0.9379 0.9379 0.9384 0.9384 5.8685 5.8685 5.8787 5.8787 6.9233 6.9233 6.9500 6.9500 7.4231 7.4231 7.4595 7.4595 8.0366 8.0366 8.0565 8.0565 8.7789 8.7789 8.9777 8.9777 9.4242 9.4242 9.5794 9.5794 10.0522 10.0522 10.3445 10.3445 11.3064 11.3064 11.3569 11.3569 12.0666 12.0666 12.1256 12.1256 k = 0.3594 0.5322 0.1137 ( 5874 PWs) bands (ev): -1.8043 -1.8043 -1.7987 -1.7987 -1.7803 -1.7803 -1.7529 -1.7529 0.2393 0.2393 0.2614 0.2614 0.3592 0.3592 0.3777 0.3777 0.4145 0.4145 0.4517 0.4517 0.9407 0.9407 0.9408 0.9408 5.8868 5.8868 5.8971 5.8971 6.9587 6.9587 6.9901 6.9901 7.3930 7.3930 7.4329 7.4329 8.0420 8.0420 8.0624 8.0624 8.7962 8.7962 9.0242 9.0242 9.4073 9.4073 9.5811 9.5811 10.0187 10.0187 10.3307 10.3307 11.3018 11.3018 11.3577 11.3577 12.0429 12.0429 12.0982 12.0982 k = 0.3542 0.5413 0.1137 ( 5878 PWs) bands (ev): -1.8041 -1.8041 -1.7979 -1.7979 -1.7799 -1.7799 -1.7517 -1.7517 0.2421 0.2421 0.2671 0.2671 0.3613 0.3613 0.3810 0.3810 0.4057 0.4057 0.4447 0.4447 0.9429 0.9429 0.9430 0.9430 5.9034 5.9034 5.9137 5.9137 6.9905 6.9905 7.0279 7.0279 7.3633 7.3633 7.4082 7.4082 8.0468 8.0468 8.0677 8.0677 8.8100 8.8100 9.0694 9.0694 9.3862 9.3862 9.5823 9.5823 9.9865 9.9865 10.3140 10.3140 11.3019 11.3019 11.3610 11.3610 12.0270 12.0270 12.0789 12.0789 k = 0.3490 0.5503 0.1137 ( 5870 PWs) bands (ev): -1.8040 -1.8040 -1.7973 -1.7973 -1.7795 -1.7795 -1.7507 -1.7507 0.2443 0.2443 0.2720 0.2720 0.3637 0.3637 0.3841 0.3841 0.3977 0.3977 0.4387 0.4387 0.9445 0.9445 0.9448 0.9448 5.9177 5.9177 5.9281 5.9281 7.0176 7.0176 7.0626 7.0626 7.3347 7.3347 7.3863 7.3863 8.0507 8.0507 8.0721 8.0721 8.8201 8.8201 9.1126 9.1126 9.3608 9.3608 9.5830 9.5830 9.9587 9.9587 10.2975 10.2975 11.3042 11.3042 11.3647 11.3647 12.0181 12.0181 12.0671 12.0671 k = 0.3438 0.5593 0.1137 ( 5866 PWs) bands (ev): -1.8039 -1.8039 -1.7970 -1.7970 -1.7793 -1.7793 -1.7501 -1.7501 0.2458 0.2458 0.2756 0.2756 0.3665 0.3665 0.3869 0.3869 0.3908 0.3908 0.4339 0.4339 0.9457 0.9457 0.9461 0.9461 5.9290 5.9290 5.9394 5.9394 7.0386 7.0386 7.0923 7.0923 7.3090 7.3090 7.3688 7.3688 8.0536 8.0536 8.0754 8.0754 8.8268 8.8268 9.1528 9.1528 9.3322 9.3322 9.5832 9.5832 9.9380 9.9380 10.2840 10.2840 11.3066 11.3066 11.3675 11.3675 12.0144 12.0144 12.0613 12.0613 k = 0.3385 0.5683 0.1137 ( 5854 PWs) bands (ev): -1.8038 -1.8038 -1.7967 -1.7967 -1.7791 -1.7791 -1.7496 -1.7496 0.2467 0.2467 0.2780 0.2780 0.3692 0.3692 0.3855 0.3855 0.3887 0.3887 0.4309 0.4309 0.9464 0.9464 0.9470 0.9470 5.9365 5.9365 5.9469 5.9469 7.0520 7.0520 7.1138 7.1138 7.2897 7.2897 7.3573 7.3573 8.0554 8.0554 8.0775 8.0775 8.8304 8.8304 9.1865 9.1865 9.3043 9.3043 9.5831 9.5831 9.9255 9.9255 10.2752 10.2752 11.3082 11.3082 11.3689 11.3689 12.0139 12.0139 12.0595 12.0595 k = 0.3333 0.5774 0.1137 ( 5850 PWs) bands (ev): -1.8038 -1.8038 -1.7967 -1.7967 -1.7790 -1.7790 -1.7495 -1.7495 0.2470 0.2470 0.2787 0.2787 0.3706 0.3706 0.3833 0.3833 0.3894 0.3894 0.4298 0.4298 0.9467 0.9467 0.9472 0.9472 5.9392 5.9392 5.9496 5.9496 7.0565 7.0565 7.1219 7.1219 7.2823 7.2823 7.3533 7.3533 8.0561 8.0561 8.0782 8.0782 8.8314 8.8314 9.2022 9.2022 9.2901 9.2901 9.5830 9.5830 9.9214 9.9214 10.2722 10.2722 11.3086 11.3086 11.3693 11.3693 12.0142 12.0142 12.0594 12.0594 k = 0.3333 0.5774 0.1137 ( 5850 PWs) bands (ev): -1.8038 -1.8038 -1.7967 -1.7967 -1.7790 -1.7790 -1.7495 -1.7495 0.2470 0.2470 0.2787 0.2787 0.3706 0.3706 0.3833 0.3833 0.3894 0.3894 0.4298 0.4298 0.9467 0.9467 0.9472 0.9472 5.9392 5.9392 5.9496 5.9496 7.0565 7.0565 7.1219 7.1219 7.2823 7.2823 7.3533 7.3533 8.0561 8.0561 8.0782 8.0782 8.8314 8.8314 9.2022 9.2022 9.2901 9.2901 9.5830 9.5830 9.9214 9.9214 10.2722 10.2722 11.3086 11.3086 11.3693 11.3693 12.0142 12.0142 12.0594 12.0594 k = 0.3280 0.5682 0.1137 ( 5856 PWs) bands (ev): -1.8038 -1.8038 -1.7967 -1.7967 -1.7791 -1.7791 -1.7496 -1.7496 0.2467 0.2467 0.2779 0.2779 0.3693 0.3693 0.3854 0.3854 0.3888 0.3888 0.4308 0.4308 0.9464 0.9464 0.9469 0.9469 5.9360 5.9360 5.9465 5.9465 7.0521 7.0521 7.1139 7.1139 7.2898 7.2898 7.3573 7.3573 8.0554 8.0554 8.0775 8.0775 8.8306 8.8306 9.1870 9.1870 9.3044 9.3044 9.5832 9.5832 9.9253 9.9253 10.2752 10.2752 11.3083 11.3083 11.3692 11.3692 12.0132 12.0132 12.0588 12.0588 k = 0.3228 0.5590 0.1137 ( 5872 PWs) bands (ev): -1.8039 -1.8039 -1.7969 -1.7969 -1.7793 -1.7793 -1.7501 -1.7501 0.2459 0.2459 0.2757 0.2757 0.3669 0.3669 0.3871 0.3871 0.3903 0.3903 0.4336 0.4336 0.9456 0.9456 0.9460 0.9460 5.9257 5.9257 5.9361 5.9361 7.0406 7.0406 7.0942 7.0942 7.3087 7.3087 7.3683 7.3683 8.0535 8.0535 8.0752 8.0752 8.8292 8.8292 9.1573 9.1573 9.3325 9.3325 9.5840 9.5840 9.9364 9.9364 10.2841 10.2841 11.3081 11.3081 11.3692 11.3692 12.0091 12.0091 12.0557 12.0557 k = 0.3175 0.5499 0.1137 ( 5876 PWs) bands (ev): -1.8039 -1.8039 -1.7972 -1.7972 -1.7796 -1.7796 -1.7507 -1.7507 0.2446 0.2446 0.2721 0.2721 0.3648 0.3648 0.3848 0.3848 0.3962 0.3962 0.4375 0.4375 0.9442 0.9442 0.9445 0.9445 5.9072 5.9072 5.9175 5.9175 7.0243 7.0243 7.0690 7.0690 7.3334 7.3334 7.3846 7.3846 8.0505 8.0505 8.0714 8.0714 8.8282 8.8282 9.1267 9.1267 9.3626 9.3626 9.5855 9.5855 9.9534 9.9534 10.2979 10.2979 11.3086 11.3086 11.3702 11.3702 12.0009 12.0009 12.0491 12.0491 k = 0.3122 0.5407 0.1137 ( 5876 PWs) bands (ev): -1.8039 -1.8039 -1.7976 -1.7976 -1.7800 -1.7800 -1.7516 -1.7516 0.2428 0.2428 0.2676 0.2676 0.3632 0.3632 0.3823 0.3823 0.4028 0.4028 0.4421 0.4421 0.9423 0.9423 0.9424 0.9424 5.8794 5.8794 5.8896 5.8896 7.0059 7.0059 7.0426 7.0426 7.3606 7.3606 7.4043 7.4043 8.0464 8.0464 8.0663 8.0663 8.8287 8.8287 9.0995 9.0995 9.3915 9.3915 9.5877 9.5877 9.9753 9.9753 10.3158 10.3158 11.3109 11.3109 11.3726 11.3726 11.9888 11.9888 12.0385 12.0385 k = 0.3069 0.5315 0.1137 ( 5880 PWs) bands (ev): -1.8039 -1.8039 -1.7980 -1.7980 -1.7804 -1.7804 -1.7527 -1.7527 0.2408 0.2408 0.2624 0.2624 0.3620 0.3620 0.3798 0.3798 0.4097 0.4097 0.4471 0.4471 0.9396 0.9396 0.9397 0.9397 5.8416 5.8416 5.8517 5.8517 6.9873 6.9873 7.0171 7.0171 7.3889 7.3889 7.4262 7.4262 8.0414 8.0414 8.0600 8.0600 8.8317 8.8317 9.0779 9.0779 9.4182 9.4182 9.5903 9.5903 10.0011 10.0011 10.3365 10.3365 11.3155 11.3155 11.3767 11.3767 11.9733 11.9733 12.0243 12.0243 k = 0.3016 0.5224 0.1137 ( 5888 PWs) bands (ev): -1.8039 -1.8039 -1.7986 -1.7986 -1.7810 -1.7810 -1.7540 -1.7540 0.2385 0.2385 0.2568 0.2568 0.3612 0.3612 0.3774 0.3774 0.4166 0.4166 0.4523 0.4523 0.9361 0.9361 0.9366 0.9366 5.7934 5.7934 5.8034 5.8034 6.9700 6.9700 6.9939 6.9939 7.4174 7.4174 7.4493 7.4493 8.0357 8.0357 8.0527 8.0527 8.8382 8.8382 9.0627 9.0627 9.4424 9.4424 9.5932 9.5932 10.0299 10.0299 10.3589 10.3589 11.3233 11.3233 11.3824 11.3824 11.9558 11.9558 12.0074 12.0074 k = 0.2963 0.5132 0.1137 ( 5884 PWs) bands (ev): -1.8038 -1.8038 -1.7993 -1.7993 -1.7815 -1.7815 -1.7555 -1.7555 0.2361 0.2361 0.2509 0.2509 0.3607 0.3607 0.3752 0.3752 0.4235 0.4235 0.4574 0.4574 0.9320 0.9320 0.9328 0.9328 5.7347 5.7347 5.7448 5.7448 6.9547 6.9547 6.9737 6.9737 7.4457 7.4457 7.4729 7.4729 8.0294 8.0294 8.0446 8.0446 8.8487 8.8487 9.0544 9.0544 9.4639 9.4639 9.5960 9.5960 10.0609 10.0609 10.3819 10.3819 11.3346 11.3346 11.3894 11.3894 11.9383 11.9383 11.9889 11.9889 k = 0.2910 0.5040 0.1137 ( 5876 PWs) bands (ev): -1.8037 -1.8037 -1.8000 -1.8000 -1.7821 -1.7821 -1.7571 -1.7571 0.2336 0.2336 0.2450 0.2450 0.3604 0.3604 0.3732 0.3732 0.4302 0.4302 0.4624 0.4624 0.9272 0.9272 0.9285 0.9285 5.6661 5.6661 5.6761 5.6761 6.9418 6.9418 6.9566 6.9566 7.4736 7.4736 7.4967 7.4967 8.0227 8.0227 8.0358 8.0358 8.8637 8.8637 9.0532 9.0532 9.4828 9.4828 9.5986 9.5986 10.0933 10.0933 10.4045 10.4045 11.3496 11.3496 11.3969 11.3969 11.9229 11.9229 11.9705 11.9705 k = 0.2857 0.4949 0.1137 ( 5870 PWs) bands (ev): -1.8036 -1.8036 -1.8009 -1.8009 -1.7826 -1.7826 -1.7589 -1.7589 0.2311 0.2311 0.2391 0.2391 0.3602 0.3602 0.3714 0.3714 0.4367 0.4367 0.4672 0.4672 0.9218 0.9218 0.9234 0.9234 5.5881 5.5881 5.5981 5.5981 6.9312 6.9312 6.9426 6.9426 7.5010 7.5010 7.5204 7.5204 8.0154 8.0154 8.0265 8.0265 8.8833 8.8833 9.0587 9.0587 9.4994 9.4994 9.6009 9.6009 10.1265 10.1265 10.4258 10.4258 11.3683 11.3683 11.4037 11.4037 11.9121 11.9121 11.9535 11.9535 k = 0.2804 0.4857 0.1137 ( 5864 PWs) bands (ev): -1.8035 -1.8035 -1.8018 -1.8018 -1.7831 -1.7831 -1.7608 -1.7608 0.2286 0.2286 0.2333 0.2333 0.3602 0.3602 0.3698 0.3698 0.4428 0.4428 0.4716 0.4716 0.9156 0.9156 0.9178 0.9178 5.5017 5.5017 5.5119 5.5119 6.9228 6.9228 6.9312 6.9312 7.5276 7.5276 7.5438 7.5438 8.0077 8.0077 8.0167 8.0167 8.9075 8.9075 9.0704 9.0704 9.5142 9.5142 9.6031 9.6031 10.1599 10.1599 10.4450 10.4450 11.3905 11.3905 11.4086 11.4086 11.9083 11.9083 11.9396 11.9396 k = 0.2751 0.4765 0.1137 ( 5872 PWs) bands (ev): -1.8034 -1.8034 -1.8029 -1.8029 -1.7836 -1.7836 -1.7628 -1.7628 0.2262 0.2262 0.2277 0.2277 0.3602 0.3602 0.3683 0.3683 0.4485 0.4485 0.4756 0.4756 0.9087 0.9087 0.9114 0.9114 5.4081 5.4081 5.4184 5.4184 6.9162 6.9162 6.9222 6.9222 7.5535 7.5535 7.5668 7.5668 7.9994 7.9994 8.0065 8.0065 8.9361 8.9361 9.0874 9.0874 9.5280 9.5280 9.6055 9.6055 10.1928 10.1928 10.4613 10.4613 11.4105 11.4105 11.4155 11.4155 11.9135 11.9135 11.9303 11.9303 k = 0.2698 0.4674 0.1137 ( 5856 PWs) bands (ev): -1.8041 -1.8041 -1.8032 -1.8032 -1.7839 -1.7839 -1.7648 -1.7648 0.2224 0.2224 0.2240 0.2240 0.3604 0.3604 0.3670 0.3670 0.4537 0.4537 0.4792 0.4792 0.9011 0.9011 0.9045 0.9045 5.3084 5.3084 5.3187 5.3187 6.9110 6.9110 6.9151 6.9151 7.5784 7.5784 7.5892 7.5892 7.9905 7.9905 7.9958 7.9958 8.9683 8.9683 9.1089 9.1089 9.5417 9.5417 9.6086 9.6086 10.2249 10.2249 10.4743 10.4743 11.4087 11.4087 11.4425 11.4425 11.9271 11.9271 11.9291 11.9291 k = 0.2646 0.4582 0.1137 ( 5852 PWs) bands (ev): -1.8054 -1.8054 -1.8030 -1.8030 -1.7842 -1.7842 -1.7669 -1.7669 0.2173 0.2173 0.2220 0.2220 0.3605 0.3605 0.3658 0.3658 0.4584 0.4584 0.4824 0.4824 0.8928 0.8928 0.8968 0.8968 5.2036 5.2036 5.2140 5.2140 6.9069 6.9069 6.9095 6.9095 7.6024 7.6024 7.6109 7.6109 7.9808 7.9808 7.9845 7.9845 9.0036 9.0036 9.1334 9.1334 9.5566 9.5566 9.6133 9.6133 10.2555 10.2555 10.4836 10.4836 11.4036 11.4036 11.4702 11.4702 11.9315 11.9315 11.9553 11.9553 k = 0.2593 0.4491 0.1137 ( 5838 PWs) bands (ev): -1.8067 -1.8067 -1.8028 -1.8028 -1.7844 -1.7844 -1.7690 -1.7690 0.2126 0.2126 0.2201 0.2201 0.3607 0.3607 0.3648 0.3648 0.4626 0.4626 0.4850 0.4850 0.8837 0.8837 0.8885 0.8885 5.0947 5.0947 5.1052 5.1052 6.9036 6.9036 6.9051 6.9051 7.6254 7.6254 7.6320 7.6320 7.9701 7.9701 7.9724 7.9724 9.0408 9.0408 9.1593 9.1593 9.5741 9.5741 9.6205 9.6205 10.2842 10.2842 10.4894 10.4894 11.3961 11.3961 11.4973 11.4973 11.9445 11.9445 11.9916 11.9916 k = 0.2540 0.4399 0.1137 ( 5838 PWs) bands (ev): -1.8082 -1.8082 -1.8026 -1.8026 -1.7845 -1.7845 -1.7711 -1.7711 0.2082 0.2082 0.2185 0.2185 0.3609 0.3609 0.3639 0.3639 0.4661 0.4661 0.4871 0.4871 0.8740 0.8740 0.8796 0.8796 4.9826 4.9826 4.9933 4.9933 6.9008 6.9008 6.9016 6.9016 7.6472 7.6472 7.6523 7.6523 7.9585 7.9585 7.9595 7.9595 9.0785 9.0785 9.1851 9.1851 9.5957 9.5957 9.6315 9.6315 10.3108 10.3108 10.4916 10.4916 11.3874 11.3874 11.5228 11.5228 11.9669 11.9669 12.0369 12.0369 k = 0.2487 0.4307 0.1137 ( 5826 PWs) bands (ev): -1.8096 -1.8096 -1.8024 -1.8024 -1.7845 -1.7845 -1.7732 -1.7732 0.2042 0.2042 0.2171 0.2171 0.3611 0.3611 0.3631 0.3631 0.4690 0.4690 0.4886 0.4886 0.8635 0.8635 0.8699 0.8699 4.8682 4.8682 4.8790 4.8790 6.8985 6.8985 6.8989 6.8989 7.6677 7.6677 7.6716 7.6716 7.9456 7.9456 7.9459 7.9459 9.1155 9.1155 9.2092 9.2092 9.6226 9.6226 9.6474 9.6474 10.3351 10.3351 10.4906 10.4906 11.3789 11.3789 11.5457 11.5457 11.9989 11.9989 12.0899 12.0899 k = 0.2434 0.4216 0.1137 ( 5834 PWs) bands (ev): -1.8112 -1.8112 -1.8023 -1.8023 -1.7845 -1.7845 -1.7752 -1.7752 0.2005 0.2005 0.2159 0.2159 0.3613 0.3613 0.3624 0.3624 0.4712 0.4712 0.4894 0.4894 0.8522 0.8522 0.8596 0.8596 4.7523 4.7523 4.7630 4.7630 6.8965 6.8965 6.8967 6.8967 7.6865 7.6865 7.6898 7.6898 7.9309 7.9309 7.9324 7.9324 9.1504 9.1504 9.2307 9.2307 9.6555 9.6555 9.6695 9.6695 10.3573 10.3573 10.4871 10.4871 11.3716 11.3716 11.5655 11.5655 12.0400 12.0400 12.1494 12.1494 k = 0.2381 0.4124 0.1137 ( 5826 PWs) bands (ev): -1.8128 -1.8128 -1.8022 -1.8022 -1.7844 -1.7844 -1.7772 -1.7772 0.1972 0.1972 0.2149 0.2149 0.3615 0.3615 0.3619 0.3619 0.4727 0.4727 0.4898 0.4898 0.8402 0.8402 0.8487 0.8487 4.6354 4.6354 4.6461 4.6461 6.8948 6.8948 6.8951 6.8951 7.7031 7.7031 7.7063 7.7063 7.9157 7.9157 7.9185 7.9185 9.1820 9.1820 9.2490 9.2490 9.6941 9.6941 9.6983 9.6983 10.3775 10.3775 10.4820 10.4820 11.3661 11.3661 11.5822 11.5822 12.0892 12.0892 12.2143 12.2143 k = 0.2328 0.4032 0.1137 ( 5826 PWs) bands (ev): -1.8144 -1.8144 -1.8022 -1.8022 -1.7842 -1.7842 -1.7790 -1.7790 0.1943 0.1943 0.2141 0.2141 0.3614 0.3614 0.3617 0.3617 0.4736 0.4736 0.4894 0.4894 0.8275 0.8275 0.8371 0.8371 4.5181 4.5181 4.5288 4.5288 6.8932 6.8932 6.8939 6.8939 7.7162 7.7162 7.7202 7.7202 7.9007 7.9007 7.9053 7.9053 9.2099 9.2099 9.2646 9.2646 9.7336 9.7336 9.7374 9.7374 10.3966 10.3966 10.4761 10.4761 11.3630 11.3630 11.5956 11.5956 12.1453 12.1453 12.2837 12.2837 k = 0.2275 0.3941 0.1137 ( 5816 PWs) bands (ev): -1.8159 -1.8159 -1.8024 -1.8024 -1.7840 -1.7840 -1.7807 -1.7807 0.1917 0.1917 0.2135 0.2135 0.3610 0.3610 0.3619 0.3619 0.4737 0.4737 0.4885 0.4885 0.8141 0.8141 0.8248 0.8248 4.4010 4.4010 4.4117 4.4117 6.8919 6.8919 6.8931 6.8931 7.7239 7.7239 7.7297 7.7297 7.8877 7.8877 7.8946 7.8946 9.2343 9.2343 9.2782 9.2782 9.7745 9.7745 9.7836 9.7836 10.4156 10.4156 10.4709 10.4709 11.3621 11.3621 11.6060 11.6060 12.2071 12.2071 12.3566 12.3566 k = 0.2222 0.3849 0.1137 ( 5808 PWs) bands (ev): -1.8175 -1.8175 -1.8026 -1.8026 -1.7837 -1.7837 -1.7822 -1.7822 0.1894 0.1894 0.2131 0.2131 0.3608 0.3608 0.3620 0.3620 0.4730 0.4730 0.4869 0.4869 0.7999 0.7999 0.8119 0.8119 4.2845 4.2845 4.2951 4.2951 6.8907 6.8907 6.8927 6.8927 7.7239 7.7239 7.7321 7.7321 7.8793 7.8793 7.8888 7.8888 9.2558 9.2558 9.2906 9.2906 9.8189 9.8189 9.8304 9.8304 10.4360 10.4360 10.4680 10.4680 11.3634 11.3634 11.6133 11.6133 12.2732 12.2732 12.4321 12.4321 k = 0.2169 0.3757 0.1137 ( 5812 PWs) bands (ev): -1.8191 -1.8191 -1.8031 -1.8031 -1.7835 -1.7835 -1.7834 -1.7834 0.1875 0.1875 0.2129 0.2129 0.3606 0.3606 0.3621 0.3621 0.4716 0.4716 0.4847 0.4847 0.7850 0.7850 0.7984 0.7984 4.1690 4.1690 4.1794 4.1794 6.8897 6.8897 6.8926 6.8926 7.7142 7.7142 7.7248 7.7248 7.8781 7.8781 7.8899 7.8899 9.2753 9.2753 9.3026 9.3026 9.8642 9.8642 9.8753 9.8753 10.4594 10.4594 10.4691 10.4691 11.3666 11.3666 11.6177 11.6177 12.3426 12.3426 12.5090 12.5090 k = 0.2116 0.3666 0.1137 ( 5824 PWs) bands (ev): -1.8207 -1.8207 -1.8038 -1.8038 -1.7845 -1.7845 -1.7831 -1.7831 0.1859 0.1859 0.2128 0.2128 0.3605 0.3605 0.3621 0.3621 0.4695 0.4695 0.4818 0.4818 0.7694 0.7694 0.7843 0.7843 4.0549 4.0549 4.0651 4.0651 6.8888 6.8888 6.8929 6.8929 7.6952 7.6952 7.7076 7.7076 7.8844 7.8844 7.8975 7.8975 9.2936 9.2936 9.3149 9.3149 9.9076 9.9076 9.9160 9.9160 10.4766 10.4766 10.4875 10.4875 11.3714 11.3714 11.6192 11.6192 12.4137 12.4137 12.5860 12.5860 k = 0.2063 0.3574 0.1137 ( 5832 PWs) bands (ev): -1.8222 -1.8222 -1.8047 -1.8047 -1.7854 -1.7854 -1.7828 -1.7828 0.1847 0.1847 0.2128 0.2128 0.3605 0.3605 0.3620 0.3620 0.4666 0.4666 0.4783 0.4783 0.7532 0.7532 0.7697 0.7697 3.9424 3.9424 3.9524 3.9524 6.8880 6.8880 6.8934 6.8934 7.6687 7.6687 7.6825 7.6825 7.8965 7.8965 7.9101 7.9101 9.3115 9.3115 9.3279 9.3279 9.9461 9.9461 9.9508 9.9508 10.4926 10.4926 10.5218 10.5218 11.3772 11.3772 11.6180 11.6180 12.4853 12.4853 12.6605 12.6605 k = 0.2011 0.3482 0.1137 ( 5824 PWs) bands (ev): -1.8236 -1.8236 -1.8057 -1.8057 -1.7860 -1.7860 -1.7825 -1.7825 0.1837 0.1837 0.2130 0.2130 0.3605 0.3605 0.3618 0.3618 0.4629 0.4629 0.4742 0.4742 0.7363 0.7363 0.7545 0.7545 3.8319 3.8319 3.8417 3.8417 6.8872 6.8872 6.8941 6.8941 7.6367 7.6367 7.6517 7.6517 7.9122 7.9122 7.9260 7.9260 9.3294 9.3294 9.3418 9.3418 9.9774 9.9774 9.9786 9.9786 10.5187 10.5187 10.5630 10.5630 11.3840 11.3840 11.6146 11.6146 12.5553 12.5553 12.7280 12.7280 k = 0.1958 0.3391 0.1137 ( 5828 PWs) bands (ev): -1.8251 -1.8251 -1.8070 -1.8070 -1.7865 -1.7865 -1.7822 -1.7822 0.1830 0.1830 0.2131 0.2131 0.3606 0.3606 0.3615 0.3615 0.4585 0.4585 0.4694 0.4694 0.7188 0.7188 0.7388 0.7388 3.7237 3.7237 3.7332 3.7332 6.8862 6.8862 6.8948 6.8948 7.6008 7.6008 7.6172 7.6172 7.9302 7.9302 7.9439 7.9439 9.3473 9.3473 9.3565 9.3565 9.9996 9.9996 10.0008 10.0008 10.5555 10.5555 10.6107 10.6107 11.3916 11.3916 11.6094 11.6094 12.6215 12.6215 12.7807 12.7807 k = 0.1905 0.3299 0.1137 ( 5822 PWs) bands (ev): -1.8265 -1.8265 -1.8083 -1.8083 -1.7868 -1.7868 -1.7819 -1.7819 0.1825 0.1825 0.2134 0.2134 0.3608 0.3608 0.3609 0.3609 0.4535 0.4535 0.4641 0.4641 0.7007 0.7007 0.7227 0.7227 3.6179 3.6179 3.6271 3.6271 6.8849 6.8849 6.8952 6.8952 7.5623 7.5623 7.5801 7.5801 7.9495 7.9495 7.9631 7.9631 9.3653 9.3653 9.3717 9.3717 10.0151 10.0151 10.0170 10.0170 10.6018 10.6018 10.6637 10.6637 11.4001 11.4001 11.6030 11.6030 12.6807 12.6807 12.8106 12.8106 k = 0.1852 0.3208 0.1137 ( 5818 PWs) bands (ev): -1.8278 -1.8278 -1.8098 -1.8098 -1.7871 -1.7871 -1.7817 -1.7817 0.1823 0.1823 0.2135 0.2135 0.3601 0.3601 0.3609 0.3609 0.4477 0.4477 0.4581 0.4581 0.6822 0.6822 0.7062 0.7062 3.5148 3.5148 3.5236 3.5236 6.8828 6.8828 6.8951 6.8951 7.5223 7.5223 7.5417 7.5417 7.9696 7.9696 7.9831 7.9831 9.3829 9.3829 9.3870 9.3870 10.0266 10.0266 10.0278 10.0278 10.6557 10.6557 10.7203 10.7203 11.4097 11.4097 11.5960 11.5960 12.7295 12.7295 12.8179 12.8179 k = 0.1799 0.3116 0.1137 ( 5814 PWs) bands (ev): -1.8291 -1.8291 -1.8113 -1.8113 -1.7872 -1.7872 -1.7816 -1.7816 0.1823 0.1823 0.2137 0.2137 0.3590 0.3590 0.3609 0.3609 0.4414 0.4414 0.4517 0.4517 0.6632 0.6632 0.6893 0.6893 3.4145 3.4145 3.4230 3.4230 6.8796 6.8796 6.8938 6.8938 7.4819 7.4819 7.5030 7.5030 7.9902 7.9902 8.0034 8.0034 9.3995 9.3995 9.4016 9.4016 10.0358 10.0358 10.0362 10.0362 10.7147 10.7147 10.7787 10.7787 11.4209 11.4209 11.5892 11.5892 12.7649 12.7649 12.8103 12.8103 k = 0.1746 0.3024 0.1137 ( 5830 PWs) bands (ev): -1.8304 -1.8304 -1.8129 -1.8129 -1.7874 -1.7874 -1.7815 -1.7815 0.1823 0.1823 0.2137 0.2137 0.3573 0.3573 0.3608 0.3608 0.4346 0.4346 0.4447 0.4447 0.6439 0.6439 0.6723 0.6723 3.3172 3.3172 3.3253 3.3253 6.8746 6.8746 6.8908 6.8908 7.4423 7.4423 7.4652 7.4652 8.0109 8.0109 8.0238 8.0238 9.4142 9.4142 9.4147 9.4147 10.0435 10.0435 10.0459 10.0459 10.7765 10.7765 10.8370 10.8370 11.4343 11.4343 11.5835 11.5835 12.7857 12.7857 12.7945 12.7945 k = 0.1693 0.2933 0.1137 ( 5832 PWs) bands (ev): -1.8316 -1.8316 -1.8146 -1.8146 -1.7876 -1.7876 -1.7815 -1.7815 0.1825 0.1825 0.2136 0.2136 0.3549 0.3549 0.3604 0.3604 0.4275 0.4275 0.4373 0.4373 0.6244 0.6244 0.6550 0.6550 3.2231 3.2231 3.2308 3.2308 6.8670 6.8670 6.8850 6.8850 7.4051 7.4051 7.4295 7.4295 8.0315 8.0315 8.0442 8.0442 9.4255 9.4255 9.4263 9.4263 10.0530 10.0530 10.0576 10.0576 10.8390 10.8390 10.8933 10.8933 11.4506 11.4506 11.5798 11.5798 12.7741 12.7741 12.7929 12.7929 k = 0.1640 0.2841 0.1137 ( 5832 PWs) bands (ev): -1.8328 -1.8328 -1.8162 -1.8162 -1.7878 -1.7878 -1.7816 -1.7816 0.1828 0.1828 0.2132 0.2132 0.3516 0.3516 0.3595 0.3595 0.4204 0.4204 0.4297 0.4297 0.6048 0.6048 0.6377 0.6377 3.1323 3.1323 3.1396 3.1396 6.8559 6.8559 6.8755 6.8755 7.3716 7.3716 7.3974 7.3974 8.0519 8.0519 8.0641 8.0641 9.4330 9.4330 9.4348 9.4348 10.0664 10.0664 10.0727 10.0727 10.9003 10.9003 10.9462 10.9462 11.4707 11.4707 11.5789 11.5789 12.7508 12.7508 12.7890 12.7890 k = 0.1587 0.2749 0.1137 ( 5828 PWs) bands (ev): -1.8339 -1.8339 -1.8179 -1.8179 -1.7881 -1.7881 -1.7818 -1.7818 0.1831 0.1831 0.2127 0.2127 0.3470 0.3470 0.3579 0.3579 0.4136 0.4136 0.4221 0.4221 0.5853 0.5853 0.6205 0.6205 3.0449 3.0449 3.0518 3.0518 6.8403 6.8403 6.8609 6.8609 7.3436 7.3436 7.3701 7.3701 8.0717 8.0717 8.0836 8.0836 9.4365 9.4365 9.4390 9.4390 10.0849 10.0849 10.0927 10.0927 10.9587 10.9587 10.9943 10.9943 11.4951 11.4951 11.5819 11.5819 12.7258 12.7258 12.7769 12.7769 k = 0.1534 0.2658 0.1137 ( 5812 PWs) bands (ev): -1.8349 -1.8349 -1.8195 -1.8195 -1.7884 -1.7884 -1.7821 -1.7821 0.1833 0.1833 0.2117 0.2117 0.3409 0.3409 0.3552 0.3552 0.4073 0.4073 0.4146 0.4146 0.5661 0.5661 0.6035 0.6035 2.9610 2.9610 2.9674 2.9674 6.8194 6.8194 6.8402 6.8402 7.3224 7.3224 7.3489 7.3489 8.0909 8.0909 8.1023 8.1023 9.4357 9.4357 9.4385 9.4385 10.1096 10.1096 10.1184 10.1184 11.0125 11.0125 11.0366 11.0366 11.5243 11.5243 11.5898 11.5898 12.6998 12.6998 12.7590 12.7590 k = 0.1481 0.2566 0.1137 ( 5816 PWs) bands (ev): -1.8360 -1.8360 -1.8212 -1.8212 -1.7889 -1.7889 -1.7826 -1.7826 0.1833 0.1833 0.2104 0.2104 0.3330 0.3330 0.3511 0.3511 0.4017 0.4017 0.4076 0.4076 0.5476 0.5476 0.5868 0.5868 2.8806 2.8806 2.8866 2.8866 6.7929 6.7929 6.8131 6.8131 7.3088 7.3088 7.3346 7.3346 8.1091 8.1091 8.1200 8.1200 9.4304 9.4304 9.4333 9.4333 10.1407 10.1407 10.1501 10.1501 11.0606 11.0606 11.0729 11.0729 11.5581 11.5581 11.6032 11.6032 12.6733 12.6733 12.7374 12.7374 k = 0.1429 0.2474 0.1137 ( 5824 PWs) bands (ev): -1.8370 -1.8370 -1.8229 -1.8229 -1.7894 -1.7894 -1.7832 -1.7832 0.1831 0.1831 0.2084 0.2084 0.3234 0.3234 0.3451 0.3451 0.3968 0.3968 0.4013 0.4013 0.5300 0.5300 0.5706 0.5706 2.8038 2.8038 2.8093 2.8093 6.7607 6.7607 6.7796 6.7796 7.3031 7.3031 7.3273 7.3273 8.1263 8.1263 8.1367 8.1367 9.4210 9.4210 9.4237 9.4237 10.1782 10.1782 10.1879 10.1879 11.1019 11.1019 11.1033 11.1033 11.5958 11.5958 11.6227 11.6227 12.6469 12.6469 12.7136 12.7136 k = 0.1376 0.2383 0.1137 ( 5816 PWs) bands (ev): -1.8380 -1.8380 -1.8246 -1.8246 -1.7900 -1.7900 -1.7839 -1.7839 0.1825 0.1825 0.2058 0.2058 0.3122 0.3122 0.3372 0.3372 0.3925 0.3925 0.3956 0.3956 0.5137 0.5137 0.5552 0.5552 2.7306 2.7306 2.7357 2.7357 6.7234 6.7234 6.7406 6.7406 7.3048 7.3048 7.3270 7.3270 8.1423 8.1423 8.1521 8.1521 9.4077 9.4077 9.4102 9.4102 10.2217 10.2217 10.2314 10.2314 11.1283 11.1283 11.1361 11.1361 11.6363 11.6363 11.6479 11.6479 12.6213 12.6213 12.6890 12.6890 k = 0.1323 0.2291 0.1137 ( 5812 PWs) bands (ev): -1.8390 -1.8390 -1.8262 -1.8262 -1.7907 -1.7907 -1.7847 -1.7847 0.1812 0.1812 0.2022 0.2022 0.2999 0.2999 0.3278 0.3278 0.3885 0.3885 0.3902 0.3902 0.4993 0.4993 0.5407 0.5407 2.6611 2.6611 2.6657 2.6657 6.6817 6.6817 6.6970 6.6970 7.3130 7.3130 7.3331 7.3331 8.1568 8.1568 8.1660 8.1660 9.3914 9.3914 9.3936 9.3936 10.2706 10.2706 10.2801 10.2801 11.1489 11.1489 11.1634 11.1634 11.6780 11.6780 11.6780 11.6780 12.5970 12.5970 12.6648 12.6648 k = 0.1270 0.2199 0.1137 ( 5808 PWs) bands (ev): -1.8399 -1.8399 -1.8279 -1.8279 -1.7916 -1.7916 -1.7857 -1.7857 0.1791 0.1791 0.1975 0.1975 0.2870 0.2870 0.3172 0.3172 0.3845 0.3845 0.3845 0.3845 0.4870 0.4870 0.5273 0.5273 2.5952 2.5952 2.5993 2.5993 6.6368 6.6368 6.6501 6.6501 7.3270 7.3270 7.3448 7.3448 8.1697 8.1697 8.1783 8.1783 9.3724 9.3724 9.3744 9.3744 10.3242 10.3242 10.3335 10.3335 11.1658 11.1658 11.1845 11.1845 11.7113 11.7113 11.7194 11.7194 12.5747 12.5747 12.6419 12.6419 k = 0.1217 0.2108 0.1137 ( 5806 PWs) bands (ev): -1.8408 -1.8408 -1.8295 -1.8295 -1.7925 -1.7925 -1.7868 -1.7868 0.1755 0.1755 0.1912 0.1912 0.2741 0.2741 0.3062 0.3062 0.3779 0.3779 0.3801 0.3801 0.4773 0.4773 0.5153 0.5153 2.5328 2.5328 2.5366 2.5366 6.5894 6.5894 6.6009 6.6009 7.3457 7.3457 7.3615 7.3615 8.1809 8.1809 8.1889 8.1889 9.3514 9.3514 9.3531 9.3531 10.3820 10.3820 10.3909 10.3909 11.1797 11.1797 11.2006 11.2006 11.7459 11.7459 11.7587 11.7587 12.5550 12.5550 12.6212 12.6212 k = 0.1164 0.2016 0.1137 ( 5814 PWs) bands (ev): -1.8417 -1.8417 -1.8312 -1.8312 -1.7936 -1.7936 -1.7881 -1.7881 0.1701 0.1701 0.1830 0.1830 0.2620 0.2620 0.2953 0.2953 0.3702 0.3702 0.3750 0.3750 0.4702 0.4702 0.5049 0.5049 2.4741 2.4741 2.4774 2.4774 6.5405 6.5405 6.5503 6.5503 7.3686 7.3686 7.3825 7.3825 8.1903 8.1903 8.1978 8.1978 9.3288 9.3288 9.3303 9.3303 10.4433 10.4433 10.4518 10.4518 11.1913 11.1913 11.2126 11.2126 11.7796 11.7796 11.7944 11.7944 12.5386 12.5386 12.6036 12.6036 k = 0.1111 0.1925 0.1137 ( 5820 PWs) bands (ev): -1.8426 -1.8426 -1.8329 -1.8329 -1.7947 -1.7947 -1.7895 -1.7895 0.1622 0.1622 0.1726 0.1726 0.2515 0.2515 0.2854 0.2854 0.3614 0.3614 0.3690 0.3690 0.4657 0.4657 0.4963 0.4963 2.4188 2.4188 2.4217 2.4217 6.4908 6.4908 6.4990 6.4990 7.3951 7.3951 7.4073 7.4073 8.1979 8.1979 8.2047 8.2047 9.3051 9.3051 9.3064 9.3064 10.5075 10.5075 10.5156 10.5156 11.2009 11.2009 11.2214 11.2214 11.8101 11.8101 11.8247 11.8247 12.5261 12.5261 12.5901 12.5901 k = 0.1058 0.1833 0.1137 ( 5810 PWs) bands (ev): -1.8435 -1.8435 -1.8346 -1.8346 -1.7959 -1.7959 -1.7910 -1.7910 0.1515 0.1515 0.1599 0.1599 0.2431 0.2431 0.2766 0.2766 0.3518 0.3518 0.3622 0.3622 0.4632 0.4632 0.4894 0.4894 2.3670 2.3670 2.3696 2.3696 6.4408 6.4408 6.4478 6.4478 7.4248 7.4248 7.4354 7.4354 8.2036 8.2036 8.2099 8.2099 9.2804 9.2804 9.2816 9.2816 10.5740 10.5740 10.5818 10.5818 11.2088 11.2088 11.2278 11.2278 11.8354 11.8354 11.8481 11.8481 12.5179 12.5179 12.5814 12.5814 k = 0.1005 0.1741 0.1137 ( 5814 PWs) bands (ev): -1.8444 -1.8444 -1.8362 -1.8362 -1.7972 -1.7972 -1.7926 -1.7926 0.1381 0.1381 0.1450 0.1450 0.2369 0.2369 0.2693 0.2693 0.3416 0.3416 0.3544 0.3544 0.4623 0.4623 0.4843 0.4843 2.3185 2.3185 2.3207 2.3207 6.3911 6.3911 6.3969 6.3969 7.4572 7.4572 7.4664 7.4664 8.2074 8.2074 8.2131 8.2131 9.2549 9.2549 9.2560 9.2560 10.6423 10.6423 10.6497 10.6497 11.2153 11.2153 11.2323 11.2323 11.8535 11.8535 11.8634 11.8634 12.5142 12.5142 12.5781 12.5781 k = 0.0952 0.1650 0.1137 ( 5822 PWs) bands (ev): -1.8452 -1.8452 -1.8379 -1.8379 -1.7986 -1.7986 -1.7943 -1.7943 0.1225 0.1225 0.1284 0.1284 0.2325 0.2325 0.2632 0.2632 0.3313 0.3313 0.3459 0.3459 0.4626 0.4626 0.4807 0.4807 2.2733 2.2733 2.2752 2.2752 6.3422 6.3422 6.3470 6.3470 7.4920 7.4920 7.5001 7.5001 8.2095 8.2095 8.2147 8.2147 9.2288 9.2288 9.2298 9.2298 10.7119 10.7119 10.7189 10.7189 11.2205 11.2205 11.2353 11.2353 11.8633 11.8633 11.8701 11.8701 12.5149 12.5149 12.5804 12.5804 k = 0.0899 0.1558 0.1137 ( 5828 PWs) bands (ev): -1.8461 -1.8461 -1.8396 -1.8396 -1.8000 -1.8000 -1.7961 -1.7961 0.1053 0.1053 0.1105 0.1105 0.2295 0.2295 0.2583 0.2583 0.3210 0.3210 0.3368 0.3368 0.4637 0.4637 0.4785 0.4785 2.2313 2.2313 2.2329 2.2329 6.2944 6.2944 6.2983 6.2983 7.5290 7.5290 7.5360 7.5360 8.2099 8.2099 8.2146 8.2146 9.2021 9.2021 9.2030 9.2030 10.7821 10.7821 10.7887 10.7887 11.2244 11.2244 11.2371 11.2371 11.8642 11.8642 11.8681 11.8681 12.5195 12.5195 12.5869 12.5869 k = 0.0847 0.1466 0.1137 ( 5840 PWs) bands (ev): -1.8470 -1.8470 -1.8413 -1.8413 -1.8014 -1.8014 -1.7979 -1.7979 0.0872 0.0872 0.0917 0.0917 0.2276 0.2276 0.2542 0.2542 0.3108 0.3108 0.3273 0.3273 0.4655 0.4655 0.4774 0.4774 2.1923 2.1923 2.1937 2.1937 6.2480 6.2480 6.2512 6.2512 7.5679 7.5679 7.5740 7.5740 8.2088 8.2088 8.2130 8.2130 9.1748 9.1748 9.1756 9.1756 10.8525 10.8525 10.8587 10.8587 11.2273 11.2273 11.2379 11.2379 11.8568 11.8568 11.8583 11.8583 12.5276 12.5276 12.5944 12.5944 k = 0.0794 0.1375 0.1137 ( 5840 PWs) bands (ev): -1.8479 -1.8479 -1.8429 -1.8429 -1.8028 -1.8028 -1.7997 -1.7997 0.0686 0.0686 0.0725 0.0725 0.2263 0.2263 0.2509 0.2509 0.3011 0.3011 0.3177 0.3177 0.4677 0.4677 0.4771 0.4771 2.1563 2.1563 2.1575 2.1575 6.2033 6.2033 6.2059 6.2059 7.6084 7.6084 7.6137 7.6137 8.2063 8.2063 8.2100 8.2100 9.1469 9.1469 9.1476 9.1476 10.9224 10.9224 10.9283 10.9283 11.2291 11.2291 11.2379 11.2379 11.8420 11.8420 11.8423 11.8423 12.5390 12.5390 12.6003 12.6003 k = 0.0741 0.1283 0.1137 ( 5836 PWs) bands (ev): -1.8488 -1.8488 -1.8446 -1.8446 -1.8042 -1.8042 -1.8015 -1.8015 0.0499 0.0499 0.0532 0.0532 0.2255 0.2255 0.2480 0.2480 0.2917 0.2917 0.3082 0.3082 0.4701 0.4701 0.4775 0.4775 2.1232 2.1232 2.1242 2.1242 6.1605 6.1605 6.1626 6.1626 7.6504 7.6504 7.6550 7.6550 8.2026 8.2026 8.2060 8.2060 9.1182 9.1182 9.1188 9.1188 10.9913 10.9913 10.9967 10.9967 11.2303 11.2303 11.2373 11.2373 11.8210 11.8210 11.8224 11.8224 12.5541 12.5541 12.6081 12.6081 k = 0.0688 0.1191 0.1137 ( 5838 PWs) bands (ev): -1.8497 -1.8497 -1.8462 -1.8462 -1.8056 -1.8056 -1.8033 -1.8033 0.0315 0.0315 0.0343 0.0343 0.2250 0.2250 0.2456 0.2456 0.2828 0.2828 0.2988 0.2988 0.4727 0.4727 0.4785 0.4785 2.0929 2.0929 2.0936 2.0936 6.1199 6.1199 6.1215 6.1215 7.6935 7.6935 7.6974 7.6974 8.1981 8.1981 8.2010 8.2010 9.0888 9.0888 9.0894 9.0894 11.0581 11.0581 11.0630 11.0630 11.2310 11.2310 11.2364 11.2364 11.7968 11.7968 11.7988 11.7988 12.5732 12.5732 12.6205 12.6205 k = 0.0635 0.1100 0.1137 ( 5838 PWs) bands (ev): -1.8507 -1.8507 -1.8477 -1.8477 -1.8069 -1.8069 -1.8050 -1.8050 0.0137 0.0137 0.0159 0.0159 0.2247 0.2247 0.2435 0.2435 0.2745 0.2745 0.2898 0.2898 0.4754 0.4754 0.4798 0.4798 2.0652 2.0652 2.0658 2.0658 6.0816 6.0816 6.0829 6.0829 7.7375 7.7375 7.7409 7.7409 8.1928 8.1928 8.1954 8.1954 9.0587 9.0587 9.0592 9.0592 11.1215 11.1215 11.1258 11.1258 11.2323 11.2323 11.2363 11.2363 11.7709 11.7709 11.7732 11.7732 12.5966 12.5966 12.6381 12.6381 k = 0.0582 0.1008 0.1137 ( 5842 PWs) bands (ev): -1.8516 -1.8516 -1.8492 -1.8492 -1.8083 -1.8083 -1.8067 -1.8067 -0.0035 -0.0035 -0.0017 -0.0017 0.2246 0.2246 0.2416 0.2416 0.2667 0.2667 0.2812 0.2812 0.4780 0.4780 0.4813 0.4813 2.0401 2.0401 2.0406 2.0406 6.0458 6.0458 6.0468 6.0468 7.7821 7.7821 7.7850 7.7850 8.1870 8.1870 8.1893 8.1893 9.0279 9.0279 9.0282 9.0282 11.1771 11.1771 11.1800 11.1800 11.2388 11.2388 11.2409 11.2409 11.7445 11.7445 11.7468 11.7468 12.6242 12.6242 12.6609 12.6609 k = 0.0529 0.0916 0.1137 ( 5838 PWs) bands (ev): -1.8525 -1.8525 -1.8507 -1.8507 -1.8095 -1.8095 -1.8082 -1.8082 -0.0197 -0.0197 -0.0183 -0.0183 0.2246 0.2246 0.2399 0.2399 0.2596 0.2596 0.2730 0.2730 0.4806 0.4806 0.4830 0.4830 2.0175 2.0175 2.0179 2.0179 6.0127 6.0127 6.0134 6.0134 7.8269 7.8269 7.8293 7.8293 8.1809 8.1809 8.1829 8.1829 8.9964 8.9964 8.9967 8.9967 11.2071 11.2071 11.2074 11.2074 11.2670 11.2670 11.2685 11.2685 11.7186 11.7186 11.7208 11.7208 12.6557 12.6557 12.6882 12.6882 k = 0.0476 0.0825 0.1137 ( 5838 PWs) bands (ev): -1.8534 -1.8534 -1.8520 -1.8520 -1.8106 -1.8106 -1.8097 -1.8097 -0.0348 -0.0348 -0.0338 -0.0338 0.2247 0.2247 0.2383 0.2383 0.2531 0.2531 0.2655 0.2655 0.4830 0.4830 0.4848 0.4848 1.9973 1.9973 1.9976 1.9976 5.9824 5.9824 5.9829 5.9829 7.8715 7.8715 7.8736 7.8736 8.1748 8.1748 8.1765 8.1765 8.9644 8.9644 8.9647 8.9647 11.2113 11.2113 11.2124 11.2124 11.3142 11.3142 11.3166 11.3166 11.6940 11.6940 11.6960 11.6960 12.6907 12.6907 12.7192 12.7192 k = 0.0423 0.0733 0.1137 ( 5824 PWs) bands (ev): -1.8543 -1.8543 -1.8533 -1.8533 -1.8117 -1.8117 -1.8110 -1.8110 -0.0487 -0.0487 -0.0480 -0.0480 0.2249 0.2249 0.2370 0.2370 0.2474 0.2474 0.2585 0.2585 0.4853 0.4853 0.4865 0.4865 1.9794 1.9794 1.9796 1.9796 5.9549 5.9549 5.9553 5.9553 7.9155 7.9155 7.9172 7.9172 8.1688 8.1688 8.1703 8.1703 8.9323 8.9323 8.9325 8.9325 11.2104 11.2104 11.2112 11.2112 11.3629 11.3629 11.3651 11.3651 11.6713 11.6713 11.6731 11.6731 12.7284 12.7284 12.7531 12.7531 k = 0.0370 0.0642 0.1137 ( 5820 PWs) bands (ev): -1.8551 -1.8551 -1.8544 -1.8544 -1.8126 -1.8126 -1.8122 -1.8122 -0.0613 -0.0613 -0.0608 -0.0608 0.2252 0.2252 0.2357 0.2357 0.2423 0.2423 0.2522 0.2522 0.4874 0.4874 0.4882 0.4882 1.9638 1.9638 1.9640 1.9640 5.9305 5.9305 5.9307 5.9307 7.9582 7.9582 7.9597 7.9597 8.1631 8.1631 8.1643 8.1643 8.9004 8.9004 8.9005 8.9005 11.2080 11.2080 11.2086 11.2086 11.4078 11.4078 11.4097 11.4097 11.6511 11.6511 11.6526 11.6526 12.7676 12.7676 12.7885 12.7885 k = 0.0317 0.0550 0.1137 ( 5812 PWs) bands (ev): -1.8559 -1.8559 -1.8554 -1.8554 -1.8135 -1.8135 -1.8132 -1.8132 -0.0723 -0.0723 -0.0720 -0.0720 0.2255 0.2255 0.2345 0.2345 0.2380 0.2380 0.2467 0.2467 0.4893 0.4893 0.4898 0.4898 1.9504 1.9504 1.9505 1.9505 5.9091 5.9091 5.9093 5.9093 7.9990 7.9990 8.0002 8.0002 8.1578 8.1578 8.1589 8.1589 8.8692 8.8692 8.8693 8.8693 11.2053 11.2053 11.2057 11.2057 11.4474 11.4474 11.4489 11.4489 11.6340 11.6340 11.6352 11.6352 12.8070 12.8070 12.8240 12.8240 k = 0.0265 0.0458 0.1137 ( 5802 PWs) bands (ev): -1.8566 -1.8566 -1.8563 -1.8563 -1.8142 -1.8142 -1.8140 -1.8140 -0.0819 -0.0819 -0.0817 -0.0817 0.2259 0.2259 0.2333 0.2333 0.2345 0.2345 0.2418 0.2418 0.4909 0.4909 0.4912 0.4912 1.9392 1.9392 1.9392 1.9392 5.8909 5.8909 5.8910 5.8910 8.0370 8.0370 8.0379 8.0379 8.1532 8.1532 8.1541 8.1541 8.8396 8.8396 8.8397 8.8397 11.2025 11.2025 11.2027 11.2027 11.4806 11.4806 11.4817 11.4817 11.6203 11.6203 11.6212 11.6212 12.8448 12.8448 12.8578 12.8578 k = 0.0212 0.0367 0.1137 ( 5790 PWs) bands (ev): -1.8572 -1.8572 -1.8570 -1.8570 -1.8148 -1.8148 -1.8147 -1.8147 -0.0898 -0.0898 -0.0897 -0.0897 0.2262 0.2262 0.2314 0.2314 0.2327 0.2327 0.2377 0.2377 0.4922 0.4922 0.4924 0.4924 1.9300 1.9300 1.9300 1.9300 5.8760 5.8760 5.8760 5.8760 8.0711 8.0711 8.0718 8.0718 8.1493 8.1493 8.1500 8.1500 8.8125 8.8125 8.8125 8.8125 11.1999 11.1999 11.2000 11.2000 11.5065 11.5065 11.5072 11.5072 11.6110 11.6110 11.6116 11.6116 12.8789 12.8789 12.8876 12.8876 k = 0.0159 0.0275 0.1137 ( 5798 PWs) bands (ev): -1.8577 -1.8577 -1.8576 -1.8576 -1.8153 -1.8153 -1.8153 -1.8153 -0.0960 -0.0960 -0.0960 -0.0960 0.2266 0.2266 0.2293 0.2293 0.2317 0.2317 0.2344 0.2344 0.4933 0.4933 0.4933 0.4933 1.9229 1.9229 1.9229 1.9229 5.8643 5.8643 5.8643 5.8643 8.0998 8.0998 8.1003 8.1003 8.1463 8.1463 8.1468 8.1468 8.7891 8.7891 8.7891 8.7891 11.1977 11.1977 11.1977 11.1977 11.5241 11.5241 11.5245 11.5245 11.6064 11.6064 11.6067 11.6067 12.9071 12.9071 12.9117 12.9117 k = 0.0106 0.0183 0.1137 ( 5794 PWs) bands (ev): -1.8581 -1.8581 -1.8581 -1.8581 -1.8157 -1.8157 -1.8156 -1.8156 -0.1005 -0.1005 -0.1005 -0.1005 0.2269 0.2269 0.2280 0.2280 0.2310 0.2310 0.2320 0.2320 0.4940 0.4940 0.4941 0.4941 1.9179 1.9179 1.9179 1.9179 5.8559 5.8559 5.8559 5.8559 8.1216 8.1216 8.1219 8.1219 8.1445 8.1445 8.1448 8.1448 8.7709 8.7709 8.7709 8.7709 11.1960 11.1960 11.1960 11.1960 11.5340 11.5340 11.5341 11.5341 11.6061 11.6061 11.6062 11.6062 12.9273 12.9273 12.9289 12.9289 k = 0.0053 0.0092 0.1137 ( 5806 PWs) bands (ev): -1.8583 -1.8583 -1.8583 -1.8583 -1.8159 -1.8159 -1.8159 -1.8159 -0.1032 -0.1032 -0.1032 -0.1032 0.2271 0.2271 0.2273 0.2273 0.2304 0.2304 0.2305 0.2305 0.4945 0.4945 0.4945 0.4945 1.9149 1.9149 1.9149 1.9149 5.8508 5.8508 5.8508 5.8508 8.1341 8.1341 8.1342 8.1342 8.1448 8.1448 8.1449 8.1449 8.7592 8.7592 8.7592 8.7592 11.1950 11.1950 11.1950 11.1950 11.5381 11.5381 11.5381 11.5381 11.6076 11.6076 11.6076 11.6076 12.9389 12.9389 12.9391 12.9391 k = 0.0000 0.0000 0.1137 ( 5810 PWs) bands (ev): -1.8584 -1.8584 -1.8584 -1.8584 -1.8160 -1.8160 -1.8160 -1.8160 -0.1041 -0.1041 -0.1041 -0.1041 0.2271 0.2271 0.2271 0.2271 0.2301 0.2301 0.2301 0.2301 0.4946 0.4946 0.4946 0.4946 1.9139 1.9139 1.9139 1.9139 5.8492 5.8492 5.8492 5.8492 8.1371 8.1371 8.1371 8.1371 8.1462 8.1462 8.1462 8.1462 8.7552 8.7552 8.7552 8.7552 11.1946 11.1946 11.1946 11.1946 11.5392 11.5392 11.5392 11.5392 11.6085 11.6085 11.6085 11.6085 12.9425 12.9425 12.9425 12.9425 k = 0.5000 0.2887 0.1137 ( 5844 PWs) bands (ev): -1.8559 -1.8559 -1.8559 -1.8559 -1.7841 -1.7841 -1.7841 -1.7841 0.1502 0.1502 0.1502 0.1502 0.3361 0.3361 0.3361 0.3361 0.6325 0.6325 0.6325 0.6325 0.8549 0.8549 0.8549 0.8549 5.5178 5.5178 5.5178 5.5178 6.1430 6.1430 6.1430 6.1430 7.9091 7.9091 7.9091 7.9091 8.0863 8.0863 8.0863 8.0863 8.2414 8.2414 8.2414 8.2414 9.1329 9.1329 9.1329 9.1329 9.7506 9.7506 9.7506 9.7506 13.2569 13.2569 13.2569 13.2569 13.5019 13.5019 13.5019 13.5019 k = 0.5000 0.2887 0.1034 ( 5850 PWs) bands (ev): -1.8559 -1.8559 -1.8559 -1.8559 -1.7842 -1.7842 -1.7841 -1.7841 0.1502 0.1502 0.1502 0.1502 0.3344 0.3344 0.3378 0.3378 0.6311 0.6311 0.6339 0.6339 0.8519 0.8519 0.8578 0.8578 5.5069 5.5069 5.5286 5.5286 6.1245 6.1245 6.1626 6.1626 7.9048 7.9048 7.9099 7.9099 8.0466 8.0466 8.1261 8.1261 8.2411 8.2411 8.2451 8.2451 9.1255 9.1255 9.1398 9.1398 9.7465 9.7465 9.7547 9.7547 13.2079 13.2079 13.3081 13.3081 13.4732 13.4732 13.5306 13.5306 k = 0.5000 0.2887 0.0930 ( 5858 PWs) bands (ev): -1.8560 -1.8560 -1.8559 -1.8559 -1.7843 -1.7843 -1.7841 -1.7841 0.1502 0.1502 0.1502 0.1502 0.3327 0.3327 0.3394 0.3394 0.6298 0.6298 0.6353 0.6353 0.8489 0.8489 0.8606 0.8606 5.4963 5.4963 5.5392 5.5392 6.1071 6.1071 6.1828 6.1828 7.8969 7.8969 7.9052 7.9052 8.0133 8.0133 8.1594 8.1594 8.2432 8.2432 8.2552 8.2552 9.1177 9.1177 9.1462 9.1462 9.7425 9.7425 9.7587 9.7587 13.1620 13.1620 13.3599 13.3599 13.4455 13.4455 13.5589 13.5589 k = 0.5000 0.2887 0.0827 ( 5856 PWs) bands (ev): -1.8560 -1.8560 -1.8559 -1.8559 -1.7843 -1.7843 -1.7840 -1.7840 0.1502 0.1502 0.1502 0.1502 0.3312 0.3312 0.3410 0.3410 0.6286 0.6286 0.6367 0.6367 0.8459 0.8459 0.8633 0.8633 5.4861 5.4861 5.5494 5.5494 6.0912 6.0912 6.2032 6.2032 7.8793 7.8793 7.8976 7.8976 7.9926 7.9926 8.1798 8.1798 8.2464 8.2464 8.2772 8.2772 9.1096 9.1096 9.1520 9.1520 9.7386 9.7386 9.7625 9.7625 13.1197 13.1197 13.3984 13.3984 13.4320 13.4320 13.5873 13.5873 k = 0.5000 0.2887 0.0723 ( 5858 PWs) bands (ev): -1.8560 -1.8560 -1.8559 -1.8559 -1.7844 -1.7844 -1.7840 -1.7840 0.1502 0.1502 0.1502 0.1502 0.3297 0.3297 0.3425 0.3425 0.6276 0.6276 0.6381 0.6381 0.8431 0.8431 0.8658 0.8658 5.4765 5.4765 5.5589 5.5589 6.0769 6.0769 6.2235 6.2235 7.8499 7.8499 7.8910 7.8910 7.9842 7.9842 8.1883 8.1883 8.2498 8.2498 8.3093 8.3093 9.1014 9.1014 9.1573 9.1573 9.7349 9.7349 9.7660 9.7660 13.0814 13.0814 13.3823 13.3823 13.4725 13.4725 13.6170 13.6170 k = 0.5000 0.2887 0.0620 ( 5854 PWs) bands (ev): -1.8560 -1.8560 -1.8559 -1.8559 -1.7844 -1.7844 -1.7839 -1.7839 0.1502 0.1502 0.1502 0.1502 0.3284 0.3284 0.3439 0.3439 0.6266 0.6266 0.6394 0.6394 0.8405 0.8405 0.8680 0.8680 5.4678 5.4678 5.5676 5.5676 6.0643 6.0643 6.2429 6.2429 7.8157 7.8157 7.8851 7.8851 7.9826 7.9826 8.1909 8.1909 8.2531 8.2531 8.3446 8.3446 9.0933 9.0933 9.1618 9.1618 9.7315 9.7315 9.7692 9.7692 13.0476 13.0476 13.3579 13.3579 13.5182 13.5182 13.6502 13.6502 k = 0.5000 0.2887 0.0517 ( 5846 PWs) bands (ev): -1.8560 -1.8560 -1.8558 -1.8558 -1.7845 -1.7845 -1.7838 -1.7838 0.1502 0.1502 0.1502 0.1502 0.3273 0.3273 0.3451 0.3451 0.6258 0.6258 0.6406 0.6406 0.8382 0.8382 0.8700 0.8700 5.4601 5.4601 5.5752 5.5752 6.0535 6.0535 6.2610 6.2610 7.7822 7.7822 7.8799 7.8799 7.9838 7.9838 8.1911 8.1911 8.2561 8.2561 8.3786 8.3786 9.0854 9.0854 9.1657 9.1657 9.7285 9.7285 9.7721 9.7721 13.0184 13.0184 13.3349 13.3349 13.5562 13.5562 13.6897 13.6897 k = 0.5000 0.2887 0.0413 ( 5844 PWs) bands (ev): -1.8560 -1.8560 -1.8558 -1.8558 -1.7845 -1.7845 -1.7838 -1.7838 0.1502 0.1502 0.1503 0.1503 0.3263 0.3263 0.3461 0.3461 0.6251 0.6251 0.6416 0.6416 0.8361 0.8361 0.8716 0.8716 5.4535 5.4535 5.5816 5.5816 6.0446 6.0446 6.2771 6.2771 7.7520 7.7520 7.8755 7.8755 7.9858 7.9858 8.1905 8.1905 8.2587 8.2587 8.4089 8.4089 9.0782 9.0782 9.1690 9.1690 9.7260 9.7260 9.7745 9.7745 12.9942 12.9942 13.3149 13.3149 13.5842 13.5842 13.7361 13.7361 k = 0.5000 0.2887 0.0310 ( 5854 PWs) bands (ev): -1.8560 -1.8560 -1.8559 -1.8559 -1.7846 -1.7846 -1.7837 -1.7837 0.1502 0.1502 0.1503 0.1503 0.3255 0.3255 0.3469 0.3469 0.6246 0.6246 0.6424 0.6424 0.8345 0.8345 0.8729 0.8729 5.4483 5.4483 5.5868 5.5868 6.0376 6.0376 6.2904 6.2904 7.7270 7.7270 7.8719 7.8719 7.9879 7.9879 8.1896 8.1896 8.2608 8.2608 8.4339 8.4339 9.0720 9.0720 9.1715 9.1715 9.7239 9.7239 9.7764 9.7764 12.9752 12.9752 13.2986 13.2986 13.6032 13.6032 13.7865 13.7865 k = 0.5000 0.2887 0.0207 ( 5862 PWs) bands (ev): -1.8560 -1.8560 -1.8559 -1.8559 -1.7846 -1.7846 -1.7837 -1.7837 0.1502 0.1502 0.1502 0.1502 0.3249 0.3249 0.3475 0.3475 0.6242 0.6242 0.6430 0.6430 0.8333 0.8333 0.8738 0.8738 5.4445 5.4445 5.5906 5.5906 6.0326 6.0326 6.3005 6.3005 7.7083 7.7083 7.8693 7.8693 7.9896 7.9896 8.1889 8.1889 8.2624 8.2624 8.4526 8.4526 9.0672 9.0672 9.1733 9.1733 9.7224 9.7224 9.7779 9.7779 12.9614 12.9614 13.2865 13.2865 13.6155 13.6155 13.8363 13.8363 k = 0.5000 0.2887 0.0103 ( 5860 PWs) bands (ev): -1.8560 -1.8560 -1.8558 -1.8558 -1.7846 -1.7846 -1.7837 -1.7837 0.1502 0.1502 0.1502 0.1502 0.3246 0.3246 0.3479 0.3479 0.6239 0.6239 0.6434 0.6434 0.8326 0.8326 0.8744 0.8744 5.4422 5.4422 5.5928 5.5928 6.0296 6.0296 6.3068 6.3068 7.6967 7.6967 7.8677 7.8677 7.9907 7.9907 8.1884 8.1884 8.2634 8.2634 8.4642 8.4642 9.0641 9.0641 9.1744 9.1744 9.7215 9.7215 9.7787 9.7787 12.9532 12.9532 13.2791 13.2791 13.6223 13.6223 13.8780 13.8780 k = 0.5000 0.2887-0.0000 ( 5860 PWs) bands (ev): -1.8560 -1.8560 -1.8558 -1.8558 -1.7846 -1.7846 -1.7837 -1.7837 0.1502 0.1502 0.1502 0.1502 0.3245 0.3245 0.3480 0.3480 0.6239 0.6239 0.6435 0.6435 0.8323 0.8323 0.8746 0.8746 5.4414 5.4414 5.5936 5.5936 6.0286 6.0286 6.3089 6.3089 7.6928 7.6928 7.8671 7.8671 7.9910 7.9910 8.1882 8.1882 8.2637 8.2637 8.4681 8.4681 9.0631 9.0631 9.1748 9.1748 9.7212 9.7212 9.7790 9.7790 12.9504 12.9504 13.2766 13.2766 13.6245 13.6245 13.8964 13.8964 k = 0.3333 0.5774-0.0000 ( 5871 PWs) bands (ev): -1.8038 -1.8038 -1.7967 -1.7967 -1.7791 -1.7791 -1.7496 -1.7496 0.2470 0.2470 0.2787 0.2787 0.3705 0.3705 0.3834 0.3834 0.3894 0.3894 0.4297 0.4297 0.9429 0.9429 0.9510 0.9510 5.9371 5.9371 5.9474 5.9474 7.1401 7.1401 7.1901 7.1901 7.2059 7.2059 7.2616 7.2616 8.0200 8.0200 8.1331 8.1331 8.7309 8.7309 9.2577 9.2577 9.4179 9.4179 9.7230 9.7230 9.8585 9.8585 10.1897 10.1897 10.6859 10.6859 12.0908 12.0908 12.1268 12.1268 12.1456 12.1456 k = 0.3333 0.5774 0.0103 ( 5868 PWs) bands (ev): -1.8038 -1.8038 -1.7967 -1.7967 -1.7791 -1.7791 -1.7496 -1.7496 0.2470 0.2470 0.2787 0.2787 0.3705 0.3705 0.3834 0.3834 0.3894 0.3894 0.4297 0.4297 0.9429 0.9429 0.9509 0.9509 5.9372 5.9372 5.9475 5.9475 7.1357 7.1357 7.1946 7.1946 7.2018 7.2018 7.2659 7.2659 8.0204 8.0204 8.1323 8.1323 8.7326 8.7326 9.2564 9.2564 9.4157 9.4157 9.7193 9.7193 9.8599 9.8599 10.1916 10.1916 10.6935 10.6935 12.0831 12.0831 12.1213 12.1213 12.1437 12.1437 k = 0.3333 0.5774 0.0207 ( 5874 PWs) bands (ev): -1.8039 -1.8039 -1.7967 -1.7967 -1.7791 -1.7791 -1.7496 -1.7496 0.2470 0.2470 0.2787 0.2787 0.3705 0.3705 0.3834 0.3834 0.3894 0.3894 0.4297 0.4297 0.9430 0.9430 0.9508 0.9508 5.9373 5.9373 5.9476 5.9476 7.1257 7.1257 7.1920 7.1920 7.2051 7.2051 7.2761 7.2761 8.0216 8.0216 8.1299 8.1299 8.7378 8.7378 9.2529 9.2529 9.4090 9.4090 9.7089 9.7089 9.8639 9.8639 10.1970 10.1970 10.7160 10.7160 12.0567 12.0567 12.1098 12.1098 12.1381 12.1381 k = 0.3333 0.5774 0.0310 ( 5889 PWs) bands (ev): -1.8039 -1.8039 -1.7967 -1.7967 -1.7791 -1.7791 -1.7496 -1.7496 0.2469 0.2469 0.2787 0.2787 0.3705 0.3705 0.3833 0.3833 0.3894 0.3894 0.4297 0.4297 0.9432 0.9432 0.9506 0.9506 5.9375 5.9375 5.9478 5.9478 7.1139 7.1139 7.1802 7.1802 7.2177 7.2177 7.2886 7.2886 8.0236 8.0236 8.1261 8.1261 8.7460 8.7460 9.2474 9.2474 9.3984 9.3984 9.6932 9.6932 9.8700 9.8700 10.2054 10.2054 10.7520 10.7520 12.0101 12.0101 12.0971 12.0971 12.1296 12.1296 k = 0.3333 0.5774 0.0413 ( 5895 PWs) bands (ev): -1.8039 -1.8039 -1.7967 -1.7967 -1.7791 -1.7791 -1.7496 -1.7496 0.2469 0.2469 0.2787 0.2787 0.3705 0.3705 0.3833 0.3833 0.3894 0.3894 0.4297 0.4297 0.9435 0.9435 0.9503 0.9503 5.9377 5.9377 5.9481 5.9481 7.1020 7.1020 7.1682 7.1682 7.2306 7.2306 7.3015 7.3015 8.0263 8.0263 8.1210 8.1210 8.7569 8.7569 9.2405 9.2405 9.3845 9.3845 9.6743 9.6743 9.8778 9.8778 10.2157 10.2157 10.8000 10.8000 11.9476 11.9476 12.0836 12.0836 12.1188 12.1188 k = 0.3333 0.5774 0.0517 ( 5886 PWs) bands (ev): -1.8039 -1.8039 -1.7967 -1.7967 -1.7791 -1.7791 -1.7496 -1.7496 0.2470 0.2470 0.2787 0.2787 0.3706 0.3706 0.3833 0.3833 0.3894 0.3894 0.4298 0.4298 0.9438 0.9438 0.9500 0.9500 5.9380 5.9380 5.9484 5.9484 7.0908 7.0908 7.1569 7.1569 7.2430 7.2430 7.3138 7.3138 8.0298 8.0298 8.1149 8.1149 8.7698 8.7698 9.2328 9.2328 9.3680 9.3680 9.6542 9.6542 9.8865 9.8865 10.2272 10.2272 10.8581 10.8581 11.8739 11.8739 12.0693 12.0693 12.1067 12.1067 k = 0.3333 0.5774 0.0620 ( 5886 PWs) bands (ev): -1.8039 -1.8039 -1.7967 -1.7967 -1.7790 -1.7790 -1.7495 -1.7495 0.2470 0.2470 0.2787 0.2787 0.3706 0.3706 0.3833 0.3833 0.3894 0.3894 0.4298 0.4298 0.9443 0.9443 0.9496 0.9496 5.9383 5.9383 5.9487 5.9487 7.0808 7.0808 7.1468 7.1468 7.2542 7.2542 7.3251 7.3251 8.0339 8.0339 8.1081 8.1081 8.7838 8.7838 9.2249 9.2249 9.3501 9.3501 9.6347 9.6347 9.8954 9.8954 10.2388 10.2388 10.9246 10.9246 11.7924 11.7924 12.0550 12.0550 12.0945 12.0945 k = 0.3333 0.5774 0.0723 ( 5877 PWs) bands (ev): -1.8039 -1.8039 -1.7967 -1.7967 -1.7790 -1.7790 -1.7495 -1.7495 0.2470 0.2470 0.2787 0.2787 0.3706 0.3706 0.3833 0.3833 0.3894 0.3894 0.4298 0.4298 0.9447 0.9447 0.9491 0.9491 5.9386 5.9386 5.9490 5.9490 7.0723 7.0723 7.1381 7.1381 7.2639 7.2639 7.3348 7.3348 8.0386 8.0386 8.1008 8.1008 8.7980 8.7980 9.2176 9.2176 9.3321 9.3321 9.6172 9.6172 9.9038 9.9038 10.2496 10.2496 10.9979 10.9979 11.7057 11.7057 12.0417 12.0417 12.0831 12.0831 k = 0.3333 0.5774 0.0827 ( 5859 PWs) bands (ev): -1.8038 -1.8038 -1.7967 -1.7967 -1.7790 -1.7790 -1.7495 -1.7495 0.2470 0.2470 0.2787 0.2787 0.3706 0.3706 0.3833 0.3833 0.3894 0.3894 0.4298 0.4298 0.9452 0.9452 0.9486 0.9486 5.9388 5.9388 5.9493 5.9493 7.0655 7.0655 7.1311 7.1311 7.2717 7.2717 7.3427 7.3427 8.0438 8.0438 8.0935 8.0935 8.8111 8.8111 9.2112 9.2112 9.3155 9.3155 9.6026 9.6026 9.9111 9.9111 10.2590 10.2590 11.0766 11.0766 11.6160 11.6160 12.0303 12.0303 12.0733 12.0733 k = 0.3333 0.5774 0.0930 ( 5856 PWs) bands (ev): -1.8038 -1.8038 -1.7967 -1.7967 -1.7790 -1.7790 -1.7495 -1.7495 0.2470 0.2470 0.2787 0.2787 0.3706 0.3706 0.3832 0.3832 0.3894 0.3894 0.4298 0.4298 0.9458 0.9458 0.9481 0.9481 5.9390 5.9390 5.9495 5.9495 7.0605 7.0605 7.1260 7.1260 7.2775 7.2775 7.3486 7.3486 8.0492 8.0492 8.0865 8.0865 8.8218 8.8218 9.2063 9.2063 9.3021 9.3021 9.5919 9.5919 9.9167 9.9167 10.2661 10.2661 11.1595 11.1595 11.5250 11.5250 12.0216 12.0216 12.0657 12.0657 k = 0.3333 0.5774 0.1034 ( 5862 PWs) bands (ev): -1.8039 -1.8039 -1.7967 -1.7967 -1.7790 -1.7790 -1.7495 -1.7495 0.2470 0.2470 0.2787 0.2787 0.3706 0.3706 0.3832 0.3832 0.3894 0.3894 0.4298 0.4298 0.9463 0.9463 0.9476 0.9476 5.9392 5.9392 5.9496 5.9496 7.0575 7.0575 7.1229 7.1229 7.2811 7.2811 7.3521 7.3521 8.0539 8.0539 8.0807 8.0807 8.8289 8.8289 9.2033 9.2033 9.2932 9.2932 9.5852 9.5852 9.9202 9.9202 10.2706 10.2706 11.2443 11.2443 11.4353 11.4353 12.0161 12.0161 12.0610 12.0610 k = 0.3333 0.5774 0.1137 ( 5850 PWs) bands (ev): -1.8038 -1.8038 -1.7967 -1.7967 -1.7790 -1.7790 -1.7495 -1.7495 0.2470 0.2470 0.2787 0.2787 0.3706 0.3706 0.3833 0.3833 0.3894 0.3894 0.4298 0.4298 0.9467 0.9467 0.9472 0.9472 5.9392 5.9392 5.9496 5.9496 7.0565 7.0565 7.1219 7.1219 7.2823 7.2823 7.3533 7.3533 8.0561 8.0561 8.0782 8.0782 8.8314 8.8314 9.2022 9.2022 9.2901 9.2901 9.5830 9.5830 9.9214 9.9214 10.2722 10.2722 11.3086 11.3086 11.3693 11.3693 12.0142 12.0142 12.0594 12.0594 Writing output data file Zr2TlC.save init_run : 0.38s CPU 0.71s WALL ( 1 calls) electrons : 312.27s CPU 317.40s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.13s WALL ( 1 calls) potinit : 0.02s CPU 0.07s WALL ( 1 calls) Called by electrons: c_bands : 312.26s CPU 317.38s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.04s CPU 0.08s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.08s CPU 0.11s WALL ( 340 calls) cegterg : 284.53s CPU 287.93s WALL ( 788 calls) Called by sum_band: Called by *egterg: h_psi : 155.64s CPU 158.19s WALL ( 13419 calls) s_psi : 10.73s CPU 10.86s WALL ( 13419 calls) g_psi : 0.46s CPU 0.51s WALL ( 12291 calls) cdiaghg : 100.44s CPU 101.65s WALL ( 12631 calls) cegterg:over : 14.30s CPU 14.18s WALL ( 12291 calls) cegterg:upda : 13.97s CPU 13.82s WALL ( 12291 calls) cegterg:last : 6.64s CPU 6.70s WALL ( 1808 calls) cdiaghg:chol : 6.04s CPU 5.79s WALL ( 12631 calls) cdiaghg:inve : 3.83s CPU 3.78s WALL ( 12631 calls) cdiaghg:para : 6.01s CPU 6.29s WALL ( 25262 calls) Called by h_psi: h_psi:vloc : 131.81s CPU 134.18s WALL ( 13419 calls) h_psi:vnl : 23.24s CPU 23.40s WALL ( 13419 calls) add_vuspsi : 11.46s CPU 11.51s WALL ( 13419 calls) General routines calbec : 11.74s CPU 11.86s WALL ( 13419 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 122.18s CPU 124.52s WALL ( 1325952 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.30s CPU 0.34s WALL ( 680 calls) Parallel routines fft_scatter : 40.14s CPU 40.90s WALL ( 1325975 calls) PWSCF : 5m34.80s CPU 5m59.64s WALL This run was terminated on: 17:36:10 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=