Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 17:52:36 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 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: ./ZrSi2Cu.save/ file Cu.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 26 22 6 1439 1104 178 Max 28 23 7 1444 1132 191 Sum 941 793 241 51879 40205 6617 bravais-lattice index = 14 lattice parameter (alat) = 7.0279 a.u. unit-cell volume = 840.9567 (a.u.)^3 number of atoms/cell = 8 number of atomic types = 3 number of electrons = 46.00 number of Kohn-Sham states= 56 kinetic-energy cutoff = 50.0000 Ry charge density cutoff = 237.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.027891 celldm(2)= 1.000000 celldm(3)= 2.422694 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= 0.000000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.000000 1.000000 0.000000 ) a(3) = ( 0.000000 0.000000 2.422694 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 1.000000 -0.000000 ) b(3) = ( 0.000000 0.000000 0.412764 ) 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 Cu read from file: /users/gautes/Pseudo/Cu.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: bfb9b73be46f5385f72b338ff57911ad Pseudo is Ultrasoft + core correction, Zval = 11.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1199 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 Si read from file: /users/gautes/Pseudo/Si.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: b835890840a210e39275f4497a2439d5 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1141 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Zr 4.00 91.22400 Zr( 1.00) Cu 11.00 63.54600 Cu( 1.00) Si 4.00 28.08550 Si( 1.00) 16 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 =( 0.5000000 ) ( 0 -1 0 ) ( 0.5000000 ) ( 0 0 1 ) ( 0.0000000 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) f =( 0.5000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.5000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 3 180 deg rotation - cart. axis [0,1,0] cryst. s( 3) = ( -1 0 0 ) f =( 0.0000000 ) ( 0 1 0 ) ( 0.5000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s( 3) = ( -1.0000000 0.0000000 -0.0000000 ) f =( 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.5000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) isym = 4 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( 1 0 0 ) f =( 0.5000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s( 4) = ( 1.0000000 -0.0000000 -0.0000000 ) f =( 0.5000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) isym = 5 180 deg rotation - cart. axis [1,1,0] cryst. s( 5) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s( 5) = ( 0.0000000 1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 6 180 deg rotation - cart. axis [1,-1,0] cryst. s( 6) = ( 0 -1 0 ) f =( 0.5000000 ) ( -1 0 0 ) ( 0.5000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s( 6) = ( -0.0000000 -1.0000000 -0.0000000 ) f =( 0.5000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.5000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) isym = 7 90 deg rotation - cart. axis [0,0,-1] cryst. s( 7) = ( 0 -1 0 ) f =( -0.5000000 ) ( 1 0 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.0000000 ) cart. s( 7) = ( -0.0000000 1.0000000 0.0000000 ) f =( -0.5000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 8 90 deg rotation - cart. axis [0,0,1] cryst. s( 8) = ( 0 1 0 ) f =( 0.0000000 ) ( -1 0 0 ) ( 0.5000000 ) ( 0 0 1 ) ( 0.0000000 ) cart. s( 8) = ( 0.0000000 -1.0000000 0.0000000 ) f =( 0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.5000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 9 inversion cryst. s( 9) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 9) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 10 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s(10) = ( 1 0 0 ) f =( 0.5000000 ) ( 0 1 0 ) ( 0.5000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s(10) = ( 1.0000000 0.0000000 -0.0000000 ) f =( 0.5000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.5000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) isym = 11 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s(11) = ( 1 0 0 ) f =( 0.0000000 ) ( 0 -1 0 ) ( 0.5000000 ) ( 0 0 1 ) ( 0.0000000 ) cart. s(11) = ( 1.0000000 -0.0000000 0.0000000 ) f =( 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.5000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 12 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s(12) = ( -1 0 0 ) f =( 0.5000000 ) ( 0 1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.0000000 ) cart. s(12) = ( -1.0000000 0.0000000 0.0000000 ) f =( 0.5000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 13 inv. 180 deg rotation - cart. axis [1,1,0] cryst. s(13) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s(13) = ( -0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 14 inv. 180 deg rotation - cart. axis [1,-1,0] cryst. s(14) = ( 0 1 0 ) f =( -0.5000000 ) ( 1 0 0 ) ( 0.5000000 ) ( 0 0 1 ) ( 0.0000000 ) cart. s(14) = ( 0.0000000 1.0000000 0.0000000 ) f =( -0.5000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.5000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 15 inv. 90 deg rotation - cart. axis [0,0,-1] cryst. s(15) = ( 0 1 0 ) f =( 0.5000000 ) ( -1 0 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s(15) = ( 0.0000000 -1.0000000 -0.0000000 ) f =( 0.5000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) isym = 16 inv. 90 deg rotation - cart. axis [0,0,1] cryst. s(16) = ( 0 -1 0 ) f =( 0.0000000 ) ( 1 0 0 ) ( 0.5000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s(16) = ( -0.0000000 1.0000000 -0.0000000 ) f =( 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.5000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) double point group D_4h(4/mmm) there are 14 classes and 4 irreducible representations the character table: E -E 2C4 -2C4 C2 2C2' 2C2'' i -i 2S4 -2S4 s_h -C2 -2C2' -2C2' -s_h G_6+ 2.00 -2.00 1.41 -1.41 0.00 0.00 0.00 2.00 -2.00 1.41 -1.41 0.00 G_7+ 2.00 -2.00 -1.41 1.41 0.00 0.00 0.00 2.00 -2.00 -1.41 1.41 0.00 G_6- 2.00 -2.00 1.41 -1.41 0.00 0.00 0.00 -2.00 2.00 -1.41 1.41 0.00 G_7- 2.00 -2.00 -1.41 1.41 0.00 0.00 0.00 -2.00 2.00 1.41 -1.41 0.00 2s_v 2s_d -2s_v -2s_d G_6+ 0.00 0.00 G_7+ 0.00 0.00 G_6- 0.00 0.00 G_7- 0.00 0.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E 2C4 7 8 90 deg rotation - cart. axis [0,0,-1] -2C4 -7 -8 90 deg rotation - cart. axis [0,0,-1] E C2 -C2 2 -2 180 deg rotation - cart. axis [0,0,1] 2C2'-2C2' 3 -3 4 -4 180 deg rotation - cart. axis [0,1,0] 2C2''-2C2' 5 -5 6 -6 180 deg rotation - cart. axis [1,1,0] i 9 inversion -i -9 inversion E 2S4 15 16 inv. 90 deg rotation - cart. axis [0,0,-1] -2S4 -15 -16 inv. 90 deg rotation - cart. axis [0,0,-1] E s_h -s_h 10 -10 inv. 180 deg rotation - cart. axis [0,0,1] 2s_v-2s_v 11 -11 12 -12 inv. 180 deg rotation - cart. axis [0,1,0] 2s_d-2s_d 13 -13 14 -14 inv. 180 deg rotation - cart. axis [1,1,0] Cartesian axes number of k points= 355 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028169 k( 2) = ( 0.0000000 0.0116279 -0.0000000), wk = 0.0028169 k( 3) = ( 0.0000000 0.0232558 -0.0000000), wk = 0.0028169 k( 4) = ( 0.0000000 0.0348837 -0.0000000), wk = 0.0028169 k( 5) = ( 0.0000000 0.0465116 -0.0000000), wk = 0.0028169 k( 6) = ( 0.0000000 0.0581395 -0.0000000), wk = 0.0028169 k( 7) = ( 0.0000000 0.0697674 -0.0000000), wk = 0.0028169 k( 8) = ( 0.0000000 0.0813954 -0.0000000), wk = 0.0028169 k( 9) = ( 0.0000000 0.0930233 -0.0000000), wk = 0.0028169 k( 10) = ( 0.0000000 0.1046512 -0.0000000), wk = 0.0028169 k( 11) = ( 0.0000000 0.1162791 -0.0000000), wk = 0.0028169 k( 12) = ( 0.0000000 0.1279070 -0.0000000), wk = 0.0028169 k( 13) = ( 0.0000000 0.1395349 -0.0000000), wk = 0.0028169 k( 14) = ( 0.0000000 0.1511628 -0.0000000), wk = 0.0028169 k( 15) = ( 0.0000000 0.1627907 -0.0000000), wk = 0.0028169 k( 16) = ( 0.0000000 0.1744186 -0.0000000), wk = 0.0028169 k( 17) = ( 0.0000000 0.1860465 -0.0000000), wk = 0.0028169 k( 18) = ( 0.0000000 0.1976744 -0.0000000), wk = 0.0028169 k( 19) = ( 0.0000000 0.2093023 -0.0000000), wk = 0.0028169 k( 20) = ( 0.0000000 0.2209302 -0.0000000), wk = 0.0028169 k( 21) = ( 0.0000000 0.2325581 -0.0000000), wk = 0.0028169 k( 22) = ( 0.0000000 0.2441860 -0.0000000), wk = 0.0028169 k( 23) = ( 0.0000000 0.2558140 -0.0000000), wk = 0.0028169 k( 24) = ( 0.0000000 0.2674419 -0.0000000), wk = 0.0028169 k( 25) = ( 0.0000000 0.2790698 -0.0000000), wk = 0.0028169 k( 26) = ( 0.0000000 0.2906977 -0.0000000), wk = 0.0028169 k( 27) = ( 0.0000000 0.3023256 -0.0000000), wk = 0.0028169 k( 28) = ( 0.0000000 0.3139535 -0.0000000), wk = 0.0028169 k( 29) = ( 0.0000000 0.3255814 -0.0000000), wk = 0.0028169 k( 30) = ( 0.0000000 0.3372093 -0.0000000), wk = 0.0028169 k( 31) = ( 0.0000000 0.3488372 -0.0000000), wk = 0.0028169 k( 32) = ( 0.0000000 0.3604651 -0.0000000), wk = 0.0028169 k( 33) = ( 0.0000000 0.3720930 -0.0000000), wk = 0.0028169 k( 34) = ( 0.0000000 0.3837209 -0.0000000), wk = 0.0028169 k( 35) = ( 0.0000000 0.3953488 -0.0000000), wk = 0.0028169 k( 36) = ( 0.0000000 0.4069767 -0.0000000), wk = 0.0028169 k( 37) = ( 0.0000000 0.4186047 -0.0000000), wk = 0.0028169 k( 38) = ( 0.0000000 0.4302326 -0.0000000), wk = 0.0028169 k( 39) = ( 0.0000000 0.4418605 -0.0000000), wk = 0.0028169 k( 40) = ( 0.0000000 0.4534884 -0.0000000), wk = 0.0028169 k( 41) = ( 0.0000000 0.4651163 -0.0000000), wk = 0.0028169 k( 42) = ( 0.0000000 0.4767442 -0.0000000), wk = 0.0028169 k( 43) = ( 0.0000000 0.4883721 -0.0000000), wk = 0.0028169 k( 44) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0028169 k( 45) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0028169 k( 46) = ( 0.0116279 0.5000000 -0.0000000), wk = 0.0028169 k( 47) = ( 0.0232558 0.5000000 -0.0000000), wk = 0.0028169 k( 48) = ( 0.0348837 0.5000000 -0.0000000), wk = 0.0028169 k( 49) = ( 0.0465116 0.5000000 -0.0000000), wk = 0.0028169 k( 50) = ( 0.0581395 0.5000000 -0.0000000), wk = 0.0028169 k( 51) = ( 0.0697674 0.5000000 -0.0000000), wk = 0.0028169 k( 52) = ( 0.0813954 0.5000000 -0.0000000), wk = 0.0028169 k( 53) = ( 0.0930233 0.5000000 -0.0000000), wk = 0.0028169 k( 54) = ( 0.1046512 0.5000000 -0.0000000), wk = 0.0028169 k( 55) = ( 0.1162791 0.5000000 -0.0000000), wk = 0.0028169 k( 56) = ( 0.1279070 0.5000000 -0.0000000), wk = 0.0028169 k( 57) = ( 0.1395349 0.5000000 -0.0000000), wk = 0.0028169 k( 58) = ( 0.1511628 0.5000000 -0.0000000), wk = 0.0028169 k( 59) = ( 0.1627907 0.5000000 -0.0000000), wk = 0.0028169 k( 60) = ( 0.1744186 0.5000000 -0.0000000), wk = 0.0028169 k( 61) = ( 0.1860465 0.5000000 -0.0000000), wk = 0.0028169 k( 62) = ( 0.1976744 0.5000000 -0.0000000), wk = 0.0028169 k( 63) = ( 0.2093023 0.5000000 -0.0000000), wk = 0.0028169 k( 64) = ( 0.2209302 0.5000000 -0.0000000), wk = 0.0028169 k( 65) = ( 0.2325581 0.5000000 -0.0000000), wk = 0.0028169 k( 66) = ( 0.2441860 0.5000000 -0.0000000), wk = 0.0028169 k( 67) = ( 0.2558140 0.5000000 -0.0000000), wk = 0.0028169 k( 68) = ( 0.2674419 0.5000000 -0.0000000), wk = 0.0028169 k( 69) = ( 0.2790698 0.5000000 -0.0000000), wk = 0.0028169 k( 70) = ( 0.2906977 0.5000000 -0.0000000), wk = 0.0028169 k( 71) = ( 0.3023256 0.5000000 -0.0000000), wk = 0.0028169 k( 72) = ( 0.3139535 0.5000000 -0.0000000), wk = 0.0028169 k( 73) = ( 0.3255814 0.5000000 -0.0000000), wk = 0.0028169 k( 74) = ( 0.3372093 0.5000000 -0.0000000), wk = 0.0028169 k( 75) = ( 0.3488372 0.5000000 -0.0000000), wk = 0.0028169 k( 76) = ( 0.3604651 0.5000000 -0.0000000), wk = 0.0028169 k( 77) = ( 0.3720930 0.5000000 -0.0000000), wk = 0.0028169 k( 78) = ( 0.3837209 0.5000000 -0.0000000), wk = 0.0028169 k( 79) = ( 0.3953488 0.5000000 -0.0000000), wk = 0.0028169 k( 80) = ( 0.4069767 0.5000000 -0.0000000), wk = 0.0028169 k( 81) = ( 0.4186047 0.5000000 -0.0000000), wk = 0.0028169 k( 82) = ( 0.4302326 0.5000000 -0.0000000), wk = 0.0028169 k( 83) = ( 0.4418605 0.5000000 -0.0000000), wk = 0.0028169 k( 84) = ( 0.4534884 0.5000000 -0.0000000), wk = 0.0028169 k( 85) = ( 0.4651163 0.5000000 -0.0000000), wk = 0.0028169 k( 86) = ( 0.4767442 0.5000000 -0.0000000), wk = 0.0028169 k( 87) = ( 0.4883721 0.5000000 -0.0000000), wk = 0.0028169 k( 88) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0028169 k( 89) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0028169 k( 90) = ( 0.4916667 0.4916667 -0.0000000), wk = 0.0028169 k( 91) = ( 0.4833333 0.4833333 -0.0000000), wk = 0.0028169 k( 92) = ( 0.4750000 0.4750000 -0.0000000), wk = 0.0028169 k( 93) = ( 0.4666667 0.4666667 -0.0000000), wk = 0.0028169 k( 94) = ( 0.4583333 0.4583333 -0.0000000), wk = 0.0028169 k( 95) = ( 0.4500000 0.4500000 -0.0000000), wk = 0.0028169 k( 96) = ( 0.4416667 0.4416667 -0.0000000), wk = 0.0028169 k( 97) = ( 0.4333333 0.4333333 -0.0000000), wk = 0.0028169 k( 98) = ( 0.4250000 0.4250000 -0.0000000), wk = 0.0028169 k( 99) = ( 0.4166667 0.4166667 -0.0000000), wk = 0.0028169 k( 100) = ( 0.4083333 0.4083333 -0.0000000), wk = 0.0028169 k( 101) = ( 0.4000000 0.4000000 -0.0000000), wk = 0.0028169 k( 102) = ( 0.3916667 0.3916667 -0.0000000), wk = 0.0028169 k( 103) = ( 0.3833333 0.3833333 -0.0000000), wk = 0.0028169 k( 104) = ( 0.3750000 0.3750000 -0.0000000), wk = 0.0028169 k( 105) = ( 0.3666667 0.3666667 -0.0000000), wk = 0.0028169 k( 106) = ( 0.3583333 0.3583333 -0.0000000), wk = 0.0028169 k( 107) = ( 0.3500000 0.3500000 -0.0000000), wk = 0.0028169 k( 108) = ( 0.3416667 0.3416667 -0.0000000), wk = 0.0028169 k( 109) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0028169 k( 110) = ( 0.3250000 0.3250000 -0.0000000), wk = 0.0028169 k( 111) = ( 0.3166667 0.3166667 -0.0000000), wk = 0.0028169 k( 112) = ( 0.3083333 0.3083333 -0.0000000), wk = 0.0028169 k( 113) = ( 0.3000000 0.3000000 -0.0000000), wk = 0.0028169 k( 114) = ( 0.2916667 0.2916667 -0.0000000), wk = 0.0028169 k( 115) = ( 0.2833333 0.2833333 -0.0000000), wk = 0.0028169 k( 116) = ( 0.2750000 0.2750000 -0.0000000), wk = 0.0028169 k( 117) = ( 0.2666667 0.2666667 -0.0000000), wk = 0.0028169 k( 118) = ( 0.2583333 0.2583333 -0.0000000), wk = 0.0028169 k( 119) = ( 0.2500000 0.2500000 -0.0000000), wk = 0.0028169 k( 120) = ( 0.2416667 0.2416667 -0.0000000), wk = 0.0028169 k( 121) = ( 0.2333333 0.2333333 -0.0000000), wk = 0.0028169 k( 122) = ( 0.2250000 0.2250000 -0.0000000), wk = 0.0028169 k( 123) = ( 0.2166667 0.2166667 -0.0000000), wk = 0.0028169 k( 124) = ( 0.2083333 0.2083333 -0.0000000), wk = 0.0028169 k( 125) = ( 0.2000000 0.2000000 -0.0000000), wk = 0.0028169 k( 126) = ( 0.1916667 0.1916667 -0.0000000), wk = 0.0028169 k( 127) = ( 0.1833333 0.1833333 -0.0000000), wk = 0.0028169 k( 128) = ( 0.1750000 0.1750000 -0.0000000), wk = 0.0028169 k( 129) = ( 0.1666667 0.1666667 -0.0000000), wk = 0.0028169 k( 130) = ( 0.1583333 0.1583333 -0.0000000), wk = 0.0028169 k( 131) = ( 0.1500000 0.1500000 -0.0000000), wk = 0.0028169 k( 132) = ( 0.1416667 0.1416667 -0.0000000), wk = 0.0028169 k( 133) = ( 0.1333333 0.1333333 -0.0000000), wk = 0.0028169 k( 134) = ( 0.1250000 0.1250000 -0.0000000), wk = 0.0028169 k( 135) = ( 0.1166667 0.1166667 -0.0000000), wk = 0.0028169 k( 136) = ( 0.1083333 0.1083333 -0.0000000), wk = 0.0028169 k( 137) = ( 0.1000000 0.1000000 -0.0000000), wk = 0.0028169 k( 138) = ( 0.0916667 0.0916667 -0.0000000), wk = 0.0028169 k( 139) = ( 0.0833333 0.0833333 -0.0000000), wk = 0.0028169 k( 140) = ( 0.0750000 0.0750000 -0.0000000), wk = 0.0028169 k( 141) = ( 0.0666667 0.0666667 -0.0000000), wk = 0.0028169 k( 142) = ( 0.0583333 0.0583333 -0.0000000), wk = 0.0028169 k( 143) = ( 0.0500000 0.0500000 -0.0000000), wk = 0.0028169 k( 144) = ( 0.0416667 0.0416667 -0.0000000), wk = 0.0028169 k( 145) = ( 0.0333333 0.0333333 -0.0000000), wk = 0.0028169 k( 146) = ( 0.0250000 0.0250000 -0.0000000), wk = 0.0028169 k( 147) = ( 0.0166667 0.0166667 -0.0000000), wk = 0.0028169 k( 148) = ( 0.0083333 0.0083333 -0.0000000), wk = 0.0028169 k( 149) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028169 k( 150) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028169 k( 151) = ( 0.0000000 0.0000000 0.0114657), wk = 0.0028169 k( 152) = ( 0.0000000 0.0000000 0.0229313), wk = 0.0028169 k( 153) = ( 0.0000000 0.0000000 0.0343970), wk = 0.0028169 k( 154) = ( 0.0000000 0.0000000 0.0458626), wk = 0.0028169 k( 155) = ( 0.0000000 0.0000000 0.0573283), wk = 0.0028169 k( 156) = ( 0.0000000 0.0000000 0.0687939), wk = 0.0028169 k( 157) = ( 0.0000000 0.0000000 0.0802596), wk = 0.0028169 k( 158) = ( 0.0000000 0.0000000 0.0917252), wk = 0.0028169 k( 159) = ( 0.0000000 0.0000000 0.1031909), wk = 0.0028169 k( 160) = ( 0.0000000 0.0000000 0.1146566), wk = 0.0028169 k( 161) = ( 0.0000000 0.0000000 0.1261222), wk = 0.0028169 k( 162) = ( 0.0000000 0.0000000 0.1375879), wk = 0.0028169 k( 163) = ( 0.0000000 0.0000000 0.1490535), wk = 0.0028169 k( 164) = ( 0.0000000 0.0000000 0.1605192), wk = 0.0028169 k( 165) = ( 0.0000000 0.0000000 0.1719848), wk = 0.0028169 k( 166) = ( 0.0000000 0.0000000 0.1834505), wk = 0.0028169 k( 167) = ( 0.0000000 0.0000000 0.1949161), wk = 0.0028169 k( 168) = ( 0.0000000 0.0000000 0.2063818), wk = 0.0028169 k( 169) = ( 0.0000000 0.0000000 0.2063818), wk = 0.0028169 k( 170) = ( 0.0000000 0.0116279 0.2063818), wk = 0.0028169 k( 171) = ( 0.0000000 0.0232558 0.2063818), wk = 0.0028169 k( 172) = ( 0.0000000 0.0348837 0.2063818), wk = 0.0028169 k( 173) = ( 0.0000000 0.0465116 0.2063818), wk = 0.0028169 k( 174) = ( 0.0000000 0.0581395 0.2063818), wk = 0.0028169 k( 175) = ( 0.0000000 0.0697674 0.2063818), wk = 0.0028169 k( 176) = ( 0.0000000 0.0813954 0.2063818), wk = 0.0028169 k( 177) = ( 0.0000000 0.0930233 0.2063818), wk = 0.0028169 k( 178) = ( 0.0000000 0.1046512 0.2063818), wk = 0.0028169 k( 179) = ( 0.0000000 0.1162791 0.2063818), wk = 0.0028169 k( 180) = ( 0.0000000 0.1279070 0.2063818), wk = 0.0028169 k( 181) = ( 0.0000000 0.1395349 0.2063818), wk = 0.0028169 k( 182) = ( 0.0000000 0.1511628 0.2063818), wk = 0.0028169 k( 183) = ( 0.0000000 0.1627907 0.2063818), wk = 0.0028169 k( 184) = ( 0.0000000 0.1744186 0.2063818), wk = 0.0028169 k( 185) = ( 0.0000000 0.1860465 0.2063818), wk = 0.0028169 k( 186) = ( 0.0000000 0.1976744 0.2063818), wk = 0.0028169 k( 187) = ( 0.0000000 0.2093023 0.2063818), wk = 0.0028169 k( 188) = ( 0.0000000 0.2209302 0.2063818), wk = 0.0028169 k( 189) = ( 0.0000000 0.2325581 0.2063818), wk = 0.0028169 k( 190) = ( 0.0000000 0.2441860 0.2063818), wk = 0.0028169 k( 191) = ( 0.0000000 0.2558140 0.2063818), wk = 0.0028169 k( 192) = ( 0.0000000 0.2674419 0.2063818), wk = 0.0028169 k( 193) = ( 0.0000000 0.2790698 0.2063818), wk = 0.0028169 k( 194) = ( 0.0000000 0.2906977 0.2063818), wk = 0.0028169 k( 195) = ( 0.0000000 0.3023256 0.2063818), wk = 0.0028169 k( 196) = ( 0.0000000 0.3139535 0.2063818), wk = 0.0028169 k( 197) = ( 0.0000000 0.3255814 0.2063818), wk = 0.0028169 k( 198) = ( 0.0000000 0.3372093 0.2063818), wk = 0.0028169 k( 199) = ( 0.0000000 0.3488372 0.2063818), wk = 0.0028169 k( 200) = ( 0.0000000 0.3604651 0.2063818), wk = 0.0028169 k( 201) = ( 0.0000000 0.3720930 0.2063818), wk = 0.0028169 k( 202) = ( 0.0000000 0.3837209 0.2063818), wk = 0.0028169 k( 203) = ( 0.0000000 0.3953488 0.2063818), wk = 0.0028169 k( 204) = ( 0.0000000 0.4069767 0.2063818), wk = 0.0028169 k( 205) = ( 0.0000000 0.4186047 0.2063818), wk = 0.0028169 k( 206) = ( 0.0000000 0.4302326 0.2063818), wk = 0.0028169 k( 207) = ( 0.0000000 0.4418605 0.2063818), wk = 0.0028169 k( 208) = ( 0.0000000 0.4534884 0.2063818), wk = 0.0028169 k( 209) = ( 0.0000000 0.4651163 0.2063818), wk = 0.0028169 k( 210) = ( 0.0000000 0.4767442 0.2063818), wk = 0.0028169 k( 211) = ( 0.0000000 0.4883721 0.2063818), wk = 0.0028169 k( 212) = ( 0.0000000 0.5000000 0.2063818), wk = 0.0028169 k( 213) = ( 0.0000000 0.5000000 0.2063818), wk = 0.0028169 k( 214) = ( 0.0116279 0.5000000 0.2063818), wk = 0.0028169 k( 215) = ( 0.0232558 0.5000000 0.2063818), wk = 0.0028169 k( 216) = ( 0.0348837 0.5000000 0.2063818), wk = 0.0028169 k( 217) = ( 0.0465116 0.5000000 0.2063818), wk = 0.0028169 k( 218) = ( 0.0581395 0.5000000 0.2063818), wk = 0.0028169 k( 219) = ( 0.0697674 0.5000000 0.2063818), wk = 0.0028169 k( 220) = ( 0.0813954 0.5000000 0.2063818), wk = 0.0028169 k( 221) = ( 0.0930233 0.5000000 0.2063818), wk = 0.0028169 k( 222) = ( 0.1046512 0.5000000 0.2063818), wk = 0.0028169 k( 223) = ( 0.1162791 0.5000000 0.2063818), wk = 0.0028169 k( 224) = ( 0.1279070 0.5000000 0.2063818), wk = 0.0028169 k( 225) = ( 0.1395349 0.5000000 0.2063818), wk = 0.0028169 k( 226) = ( 0.1511628 0.5000000 0.2063818), wk = 0.0028169 k( 227) = ( 0.1627907 0.5000000 0.2063818), wk = 0.0028169 k( 228) = ( 0.1744186 0.5000000 0.2063818), wk = 0.0028169 k( 229) = ( 0.1860465 0.5000000 0.2063818), wk = 0.0028169 k( 230) = ( 0.1976744 0.5000000 0.2063818), wk = 0.0028169 k( 231) = ( 0.2093023 0.5000000 0.2063818), wk = 0.0028169 k( 232) = ( 0.2209302 0.5000000 0.2063818), wk = 0.0028169 k( 233) = ( 0.2325581 0.5000000 0.2063818), wk = 0.0028169 k( 234) = ( 0.2441860 0.5000000 0.2063818), wk = 0.0028169 k( 235) = ( 0.2558140 0.5000000 0.2063818), wk = 0.0028169 k( 236) = ( 0.2674419 0.5000000 0.2063818), wk = 0.0028169 k( 237) = ( 0.2790698 0.5000000 0.2063818), wk = 0.0028169 k( 238) = ( 0.2906977 0.5000000 0.2063818), wk = 0.0028169 k( 239) = ( 0.3023256 0.5000000 0.2063818), wk = 0.0028169 k( 240) = ( 0.3139535 0.5000000 0.2063818), wk = 0.0028169 k( 241) = ( 0.3255814 0.5000000 0.2063818), wk = 0.0028169 k( 242) = ( 0.3372093 0.5000000 0.2063818), wk = 0.0028169 k( 243) = ( 0.3488372 0.5000000 0.2063818), wk = 0.0028169 k( 244) = ( 0.3604651 0.5000000 0.2063818), wk = 0.0028169 k( 245) = ( 0.3720930 0.5000000 0.2063818), wk = 0.0028169 k( 246) = ( 0.3837209 0.5000000 0.2063818), wk = 0.0028169 k( 247) = ( 0.3953488 0.5000000 0.2063818), wk = 0.0028169 k( 248) = ( 0.4069767 0.5000000 0.2063818), wk = 0.0028169 k( 249) = ( 0.4186047 0.5000000 0.2063818), wk = 0.0028169 k( 250) = ( 0.4302326 0.5000000 0.2063818), wk = 0.0028169 k( 251) = ( 0.4418605 0.5000000 0.2063818), wk = 0.0028169 k( 252) = ( 0.4534884 0.5000000 0.2063818), wk = 0.0028169 k( 253) = ( 0.4651163 0.5000000 0.2063818), wk = 0.0028169 k( 254) = ( 0.4767442 0.5000000 0.2063818), wk = 0.0028169 k( 255) = ( 0.4883721 0.5000000 0.2063818), wk = 0.0028169 k( 256) = ( 0.5000000 0.5000000 0.2063818), wk = 0.0028169 k( 257) = ( 0.5000000 0.5000000 0.2063818), wk = 0.0028169 k( 258) = ( 0.4916667 0.4916667 0.2063818), wk = 0.0028169 k( 259) = ( 0.4833333 0.4833333 0.2063818), wk = 0.0028169 k( 260) = ( 0.4750000 0.4750000 0.2063818), wk = 0.0028169 k( 261) = ( 0.4666667 0.4666667 0.2063818), wk = 0.0028169 k( 262) = ( 0.4583333 0.4583333 0.2063818), wk = 0.0028169 k( 263) = ( 0.4500000 0.4500000 0.2063818), wk = 0.0028169 k( 264) = ( 0.4416667 0.4416667 0.2063818), wk = 0.0028169 k( 265) = ( 0.4333333 0.4333333 0.2063818), wk = 0.0028169 k( 266) = ( 0.4250000 0.4250000 0.2063818), wk = 0.0028169 k( 267) = ( 0.4166667 0.4166667 0.2063818), wk = 0.0028169 k( 268) = ( 0.4083333 0.4083333 0.2063818), wk = 0.0028169 k( 269) = ( 0.4000000 0.4000000 0.2063818), wk = 0.0028169 k( 270) = ( 0.3916667 0.3916667 0.2063818), wk = 0.0028169 k( 271) = ( 0.3833333 0.3833333 0.2063818), wk = 0.0028169 k( 272) = ( 0.3750000 0.3750000 0.2063818), wk = 0.0028169 k( 273) = ( 0.3666667 0.3666667 0.2063818), wk = 0.0028169 k( 274) = ( 0.3583333 0.3583333 0.2063818), wk = 0.0028169 k( 275) = ( 0.3500000 0.3500000 0.2063818), wk = 0.0028169 k( 276) = ( 0.3416667 0.3416667 0.2063818), wk = 0.0028169 k( 277) = ( 0.3333333 0.3333333 0.2063818), wk = 0.0028169 k( 278) = ( 0.3250000 0.3250000 0.2063818), wk = 0.0028169 k( 279) = ( 0.3166667 0.3166667 0.2063818), wk = 0.0028169 k( 280) = ( 0.3083333 0.3083333 0.2063818), wk = 0.0028169 k( 281) = ( 0.3000000 0.3000000 0.2063818), wk = 0.0028169 k( 282) = ( 0.2916667 0.2916667 0.2063818), wk = 0.0028169 k( 283) = ( 0.2833333 0.2833333 0.2063818), wk = 0.0028169 k( 284) = ( 0.2750000 0.2750000 0.2063818), wk = 0.0028169 k( 285) = ( 0.2666667 0.2666667 0.2063818), wk = 0.0028169 k( 286) = ( 0.2583333 0.2583333 0.2063818), wk = 0.0028169 k( 287) = ( 0.2500000 0.2500000 0.2063818), wk = 0.0028169 k( 288) = ( 0.2416667 0.2416667 0.2063818), wk = 0.0028169 k( 289) = ( 0.2333333 0.2333333 0.2063818), wk = 0.0028169 k( 290) = ( 0.2250000 0.2250000 0.2063818), wk = 0.0028169 k( 291) = ( 0.2166667 0.2166667 0.2063818), wk = 0.0028169 k( 292) = ( 0.2083333 0.2083333 0.2063818), wk = 0.0028169 k( 293) = ( 0.2000000 0.2000000 0.2063818), wk = 0.0028169 k( 294) = ( 0.1916667 0.1916667 0.2063818), wk = 0.0028169 k( 295) = ( 0.1833333 0.1833333 0.2063818), wk = 0.0028169 k( 296) = ( 0.1750000 0.1750000 0.2063818), wk = 0.0028169 k( 297) = ( 0.1666667 0.1666667 0.2063818), wk = 0.0028169 k( 298) = ( 0.1583333 0.1583333 0.2063818), wk = 0.0028169 k( 299) = ( 0.1500000 0.1500000 0.2063818), wk = 0.0028169 k( 300) = ( 0.1416667 0.1416667 0.2063818), wk = 0.0028169 k( 301) = ( 0.1333333 0.1333333 0.2063818), wk = 0.0028169 k( 302) = ( 0.1250000 0.1250000 0.2063818), wk = 0.0028169 k( 303) = ( 0.1166667 0.1166667 0.2063818), wk = 0.0028169 k( 304) = ( 0.1083333 0.1083333 0.2063818), wk = 0.0028169 k( 305) = ( 0.1000000 0.1000000 0.2063818), wk = 0.0028169 k( 306) = ( 0.0916667 0.0916667 0.2063818), wk = 0.0028169 k( 307) = ( 0.0833333 0.0833333 0.2063818), wk = 0.0028169 k( 308) = ( 0.0750000 0.0750000 0.2063818), wk = 0.0028169 k( 309) = ( 0.0666667 0.0666667 0.2063818), wk = 0.0028169 k( 310) = ( 0.0583333 0.0583333 0.2063818), wk = 0.0028169 k( 311) = ( 0.0500000 0.0500000 0.2063818), wk = 0.0028169 k( 312) = ( 0.0416667 0.0416667 0.2063818), wk = 0.0028169 k( 313) = ( 0.0333333 0.0333333 0.2063818), wk = 0.0028169 k( 314) = ( 0.0250000 0.0250000 0.2063818), wk = 0.0028169 k( 315) = ( 0.0166667 0.0166667 0.2063818), wk = 0.0028169 k( 316) = ( 0.0083333 0.0083333 0.2063818), wk = 0.0028169 k( 317) = ( 0.0000000 0.0000000 0.2063818), wk = 0.0028169 k( 318) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0028169 k( 319) = ( 0.0000000 0.5000000 0.0114657), wk = 0.0028169 k( 320) = ( 0.0000000 0.5000000 0.0229313), wk = 0.0028169 k( 321) = ( 0.0000000 0.5000000 0.0343970), wk = 0.0028169 k( 322) = ( 0.0000000 0.5000000 0.0458626), wk = 0.0028169 k( 323) = ( 0.0000000 0.5000000 0.0573283), wk = 0.0028169 k( 324) = ( 0.0000000 0.5000000 0.0687939), wk = 0.0028169 k( 325) = ( 0.0000000 0.5000000 0.0802596), wk = 0.0028169 k( 326) = ( 0.0000000 0.5000000 0.0917252), wk = 0.0028169 k( 327) = ( 0.0000000 0.5000000 0.1031909), wk = 0.0028169 k( 328) = ( 0.0000000 0.5000000 0.1146566), wk = 0.0028169 k( 329) = ( 0.0000000 0.5000000 0.1261222), wk = 0.0028169 k( 330) = ( 0.0000000 0.5000000 0.1375879), wk = 0.0028169 k( 331) = ( 0.0000000 0.5000000 0.1490535), wk = 0.0028169 k( 332) = ( 0.0000000 0.5000000 0.1605192), wk = 0.0028169 k( 333) = ( 0.0000000 0.5000000 0.1719848), wk = 0.0028169 k( 334) = ( 0.0000000 0.5000000 0.1834505), wk = 0.0028169 k( 335) = ( 0.0000000 0.5000000 0.1949161), wk = 0.0028169 k( 336) = ( 0.0000000 0.5000000 0.2063818), wk = 0.0028169 k( 337) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0028169 k( 338) = ( 0.5000000 0.5000000 0.0114657), wk = 0.0028169 k( 339) = ( 0.5000000 0.5000000 0.0229313), wk = 0.0028169 k( 340) = ( 0.5000000 0.5000000 0.0343970), wk = 0.0028169 k( 341) = ( 0.5000000 0.5000000 0.0458626), wk = 0.0028169 k( 342) = ( 0.5000000 0.5000000 0.0573283), wk = 0.0028169 k( 343) = ( 0.5000000 0.5000000 0.0687939), wk = 0.0028169 k( 344) = ( 0.5000000 0.5000000 0.0802596), wk = 0.0028169 k( 345) = ( 0.5000000 0.5000000 0.0917252), wk = 0.0028169 k( 346) = ( 0.5000000 0.5000000 0.1031909), wk = 0.0028169 k( 347) = ( 0.5000000 0.5000000 0.1146566), wk = 0.0028169 k( 348) = ( 0.5000000 0.5000000 0.1261222), wk = 0.0028169 k( 349) = ( 0.5000000 0.5000000 0.1375879), wk = 0.0028169 k( 350) = ( 0.5000000 0.5000000 0.1490535), wk = 0.0028169 k( 351) = ( 0.5000000 0.5000000 0.1605192), wk = 0.0028169 k( 352) = ( 0.5000000 0.5000000 0.1719848), wk = 0.0028169 k( 353) = ( 0.5000000 0.5000000 0.1834505), wk = 0.0028169 k( 354) = ( 0.5000000 0.5000000 0.1949161), wk = 0.0028169 k( 355) = ( 0.5000000 0.5000000 0.2063818), wk = 0.0028169 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028169 k( 2) = ( 0.0000000 0.0116279 0.0000000), wk = 0.0028169 k( 3) = ( 0.0000000 0.0232558 -0.0000000), wk = 0.0028169 k( 4) = ( 0.0000000 0.0348837 -0.0000000), wk = 0.0028169 k( 5) = ( 0.0000000 0.0465116 -0.0000000), wk = 0.0028169 k( 6) = ( 0.0000000 0.0581395 0.0000000), wk = 0.0028169 k( 7) = ( 0.0000000 0.0697674 -0.0000000), wk = 0.0028169 k( 8) = ( 0.0000000 0.0813954 -0.0000000), wk = 0.0028169 k( 9) = ( 0.0000000 0.0930233 -0.0000000), wk = 0.0028169 k( 10) = ( 0.0000000 0.1046512 0.0000000), wk = 0.0028169 k( 11) = ( 0.0000000 0.1162791 0.0000000), wk = 0.0028169 k( 12) = ( 0.0000000 0.1279070 0.0000000), wk = 0.0028169 k( 13) = ( 0.0000000 0.1395349 -0.0000000), wk = 0.0028169 k( 14) = ( 0.0000000 0.1511628 -0.0000000), wk = 0.0028169 k( 15) = ( 0.0000000 0.1627907 -0.0000000), wk = 0.0028169 k( 16) = ( 0.0000000 0.1744186 -0.0000000), wk = 0.0028169 k( 17) = ( 0.0000000 0.1860465 -0.0000000), wk = 0.0028169 k( 18) = ( 0.0000000 0.1976744 0.0000000), wk = 0.0028169 k( 19) = ( 0.0000000 0.2093023 0.0000000), wk = 0.0028169 k( 20) = ( 0.0000000 0.2209302 0.0000000), wk = 0.0028169 k( 21) = ( 0.0000000 0.2325581 0.0000000), wk = 0.0028169 k( 22) = ( 0.0000000 0.2441860 0.0000000), wk = 0.0028169 k( 23) = ( 0.0000000 0.2558140 -0.0000000), wk = 0.0028169 k( 24) = ( 0.0000000 0.2674419 -0.0000000), wk = 0.0028169 k( 25) = ( 0.0000000 0.2790698 0.0000000), wk = 0.0028169 k( 26) = ( 0.0000000 0.2906977 -0.0000000), wk = 0.0028169 k( 27) = ( 0.0000000 0.3023256 -0.0000000), wk = 0.0028169 k( 28) = ( 0.0000000 0.3139535 -0.0000000), wk = 0.0028169 k( 29) = ( 0.0000000 0.3255814 -0.0000000), wk = 0.0028169 k( 30) = ( 0.0000000 0.3372093 0.0000000), wk = 0.0028169 k( 31) = ( 0.0000000 0.3488372 -0.0000000), wk = 0.0028169 k( 32) = ( 0.0000000 0.3604651 -0.0000000), wk = 0.0028169 k( 33) = ( 0.0000000 0.3720930 -0.0000000), wk = 0.0028169 k( 34) = ( 0.0000000 0.3837209 -0.0000000), wk = 0.0028169 k( 35) = ( 0.0000000 0.3953488 0.0000000), wk = 0.0028169 k( 36) = ( 0.0000000 0.4069767 -0.0000000), wk = 0.0028169 k( 37) = ( 0.0000000 0.4186047 -0.0000000), wk = 0.0028169 k( 38) = ( 0.0000000 0.4302326 -0.0000000), wk = 0.0028169 k( 39) = ( 0.0000000 0.4418605 -0.0000000), wk = 0.0028169 k( 40) = ( 0.0000000 0.4534884 0.0000000), wk = 0.0028169 k( 41) = ( 0.0000000 0.4651163 0.0000000), wk = 0.0028169 k( 42) = ( 0.0000000 0.4767442 0.0000000), wk = 0.0028169 k( 43) = ( 0.0000000 0.4883721 -0.0000000), wk = 0.0028169 k( 44) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0028169 k( 45) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0028169 k( 46) = ( 0.0116279 0.5000000 -0.0000000), wk = 0.0028169 k( 47) = ( 0.0232558 0.5000000 0.0000000), wk = 0.0028169 k( 48) = ( 0.0348837 0.5000000 -0.0000000), wk = 0.0028169 k( 49) = ( 0.0465116 0.5000000 0.0000000), wk = 0.0028169 k( 50) = ( 0.0581395 0.5000000 0.0000000), wk = 0.0028169 k( 51) = ( 0.0697674 0.5000000 0.0000000), wk = 0.0028169 k( 52) = ( 0.0813954 0.5000000 0.0000000), wk = 0.0028169 k( 53) = ( 0.0930233 0.5000000 0.0000000), wk = 0.0028169 k( 54) = ( 0.1046512 0.5000000 -0.0000000), wk = 0.0028169 k( 55) = ( 0.1162791 0.5000000 -0.0000000), wk = 0.0028169 k( 56) = ( 0.1279070 0.5000000 -0.0000000), wk = 0.0028169 k( 57) = ( 0.1395349 0.5000000 -0.0000000), wk = 0.0028169 k( 58) = ( 0.1511628 0.5000000 0.0000000), wk = 0.0028169 k( 59) = ( 0.1627907 0.5000000 -0.0000000), wk = 0.0028169 k( 60) = ( 0.1744186 0.5000000 -0.0000000), wk = 0.0028169 k( 61) = ( 0.1860465 0.5000000 0.0000000), wk = 0.0028169 k( 62) = ( 0.1976744 0.5000000 0.0000000), wk = 0.0028169 k( 63) = ( 0.2093023 0.5000000 0.0000000), wk = 0.0028169 k( 64) = ( 0.2209302 0.5000000 -0.0000000), wk = 0.0028169 k( 65) = ( 0.2325581 0.5000000 -0.0000000), wk = 0.0028169 k( 66) = ( 0.2441860 0.5000000 -0.0000000), wk = 0.0028169 k( 67) = ( 0.2558140 0.5000000 0.0000000), wk = 0.0028169 k( 68) = ( 0.2674419 0.5000000 -0.0000000), wk = 0.0028169 k( 69) = ( 0.2790698 0.5000000 -0.0000000), wk = 0.0028169 k( 70) = ( 0.2906977 0.5000000 -0.0000000), wk = 0.0028169 k( 71) = ( 0.3023256 0.5000000 -0.0000000), wk = 0.0028169 k( 72) = ( 0.3139535 0.5000000 -0.0000000), wk = 0.0028169 k( 73) = ( 0.3255814 0.5000000 -0.0000000), wk = 0.0028169 k( 74) = ( 0.3372093 0.5000000 -0.0000000), wk = 0.0028169 k( 75) = ( 0.3488372 0.5000000 -0.0000000), wk = 0.0028169 k( 76) = ( 0.3604651 0.5000000 -0.0000000), wk = 0.0028169 k( 77) = ( 0.3720930 0.5000000 -0.0000000), wk = 0.0028169 k( 78) = ( 0.3837209 0.5000000 -0.0000000), wk = 0.0028169 k( 79) = ( 0.3953488 0.5000000 -0.0000000), wk = 0.0028169 k( 80) = ( 0.4069767 0.5000000 -0.0000000), wk = 0.0028169 k( 81) = ( 0.4186047 0.5000000 -0.0000000), wk = 0.0028169 k( 82) = ( 0.4302326 0.5000000 -0.0000000), wk = 0.0028169 k( 83) = ( 0.4418605 0.5000000 -0.0000000), wk = 0.0028169 k( 84) = ( 0.4534884 0.5000000 -0.0000000), wk = 0.0028169 k( 85) = ( 0.4651163 0.5000000 -0.0000000), wk = 0.0028169 k( 86) = ( 0.4767442 0.5000000 -0.0000000), wk = 0.0028169 k( 87) = ( 0.4883721 0.5000000 -0.0000000), wk = 0.0028169 k( 88) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0028169 k( 89) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0028169 k( 90) = ( 0.4916667 0.4916667 0.0000000), wk = 0.0028169 k( 91) = ( 0.4833333 0.4833333 -0.0000000), wk = 0.0028169 k( 92) = ( 0.4750000 0.4750000 -0.0000000), wk = 0.0028169 k( 93) = ( 0.4666667 0.4666667 -0.0000000), wk = 0.0028169 k( 94) = ( 0.4583333 0.4583333 -0.0000000), wk = 0.0028169 k( 95) = ( 0.4500000 0.4500000 -0.0000000), wk = 0.0028169 k( 96) = ( 0.4416667 0.4416667 0.0000000), wk = 0.0028169 k( 97) = ( 0.4333333 0.4333333 -0.0000000), wk = 0.0028169 k( 98) = ( 0.4250000 0.4250000 -0.0000000), wk = 0.0028169 k( 99) = ( 0.4166667 0.4166667 -0.0000000), wk = 0.0028169 k( 100) = ( 0.4083333 0.4083333 -0.0000000), wk = 0.0028169 k( 101) = ( 0.4000000 0.4000000 -0.0000000), wk = 0.0028169 k( 102) = ( 0.3916667 0.3916667 0.0000000), wk = 0.0028169 k( 103) = ( 0.3833333 0.3833333 -0.0000000), wk = 0.0028169 k( 104) = ( 0.3750000 0.3750000 -0.0000000), wk = 0.0028169 k( 105) = ( 0.3666667 0.3666667 0.0000000), wk = 0.0028169 k( 106) = ( 0.3583333 0.3583333 -0.0000000), wk = 0.0028169 k( 107) = ( 0.3500000 0.3500000 -0.0000000), wk = 0.0028169 k( 108) = ( 0.3416667 0.3416667 -0.0000000), wk = 0.0028169 k( 109) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0028169 k( 110) = ( 0.3250000 0.3250000 0.0000000), wk = 0.0028169 k( 111) = ( 0.3166667 0.3166667 -0.0000000), wk = 0.0028169 k( 112) = ( 0.3083333 0.3083333 -0.0000000), wk = 0.0028169 k( 113) = ( 0.3000000 0.3000000 -0.0000000), wk = 0.0028169 k( 114) = ( 0.2916667 0.2916667 -0.0000000), wk = 0.0028169 k( 115) = ( 0.2833333 0.2833333 -0.0000000), wk = 0.0028169 k( 116) = ( 0.2750000 0.2750000 0.0000000), wk = 0.0028169 k( 117) = ( 0.2666667 0.2666667 -0.0000000), wk = 0.0028169 k( 118) = ( 0.2583333 0.2583333 0.0000000), wk = 0.0028169 k( 119) = ( 0.2500000 0.2500000 -0.0000000), wk = 0.0028169 k( 120) = ( 0.2416667 0.2416667 -0.0000000), wk = 0.0028169 k( 121) = ( 0.2333333 0.2333333 0.0000000), wk = 0.0028169 k( 122) = ( 0.2250000 0.2250000 -0.0000000), wk = 0.0028169 k( 123) = ( 0.2166667 0.2166667 0.0000000), wk = 0.0028169 k( 124) = ( 0.2083333 0.2083333 -0.0000000), wk = 0.0028169 k( 125) = ( 0.2000000 0.2000000 -0.0000000), wk = 0.0028169 k( 126) = ( 0.1916667 0.1916667 -0.0000000), wk = 0.0028169 k( 127) = ( 0.1833333 0.1833333 -0.0000000), wk = 0.0028169 k( 128) = ( 0.1750000 0.1750000 -0.0000000), wk = 0.0028169 k( 129) = ( 0.1666667 0.1666667 -0.0000000), wk = 0.0028169 k( 130) = ( 0.1583333 0.1583333 -0.0000000), wk = 0.0028169 k( 131) = ( 0.1500000 0.1500000 -0.0000000), wk = 0.0028169 k( 132) = ( 0.1416667 0.1416667 -0.0000000), wk = 0.0028169 k( 133) = ( 0.1333333 0.1333333 0.0000000), wk = 0.0028169 k( 134) = ( 0.1250000 0.1250000 -0.0000000), wk = 0.0028169 k( 135) = ( 0.1166667 0.1166667 -0.0000000), wk = 0.0028169 k( 136) = ( 0.1083333 0.1083333 -0.0000000), wk = 0.0028169 k( 137) = ( 0.1000000 0.1000000 -0.0000000), wk = 0.0028169 k( 138) = ( 0.0916667 0.0916667 -0.0000000), wk = 0.0028169 k( 139) = ( 0.0833333 0.0833333 -0.0000000), wk = 0.0028169 k( 140) = ( 0.0750000 0.0750000 -0.0000000), wk = 0.0028169 k( 141) = ( 0.0666667 0.0666667 -0.0000000), wk = 0.0028169 k( 142) = ( 0.0583333 0.0583333 0.0000000), wk = 0.0028169 k( 143) = ( 0.0500000 0.0500000 -0.0000000), wk = 0.0028169 k( 144) = ( 0.0416667 0.0416667 -0.0000000), wk = 0.0028169 k( 145) = ( 0.0333333 0.0333333 -0.0000000), wk = 0.0028169 k( 146) = ( 0.0250000 0.0250000 -0.0000000), wk = 0.0028169 k( 147) = ( 0.0166667 0.0166667 -0.0000000), wk = 0.0028169 k( 148) = ( 0.0083333 0.0083333 -0.0000000), wk = 0.0028169 k( 149) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028169 k( 150) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028169 k( 151) = ( 0.0000000 0.0000000 0.0277778), wk = 0.0028169 k( 152) = ( 0.0000000 0.0000000 0.0555556), wk = 0.0028169 k( 153) = ( 0.0000000 0.0000000 0.0833333), wk = 0.0028169 k( 154) = ( 0.0000000 0.0000000 0.1111111), wk = 0.0028169 k( 155) = ( 0.0000000 0.0000000 0.1388889), wk = 0.0028169 k( 156) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0028169 k( 157) = ( 0.0000000 0.0000000 0.1944444), wk = 0.0028169 k( 158) = ( 0.0000000 0.0000000 0.2222222), wk = 0.0028169 k( 159) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0028169 k( 160) = ( 0.0000000 0.0000000 0.2777778), wk = 0.0028169 k( 161) = ( 0.0000000 0.0000000 0.3055556), wk = 0.0028169 k( 162) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0028169 k( 163) = ( 0.0000000 0.0000000 0.3611111), wk = 0.0028169 k( 164) = ( 0.0000000 0.0000000 0.3888889), wk = 0.0028169 k( 165) = ( 0.0000000 0.0000000 0.4166667), wk = 0.0028169 k( 166) = ( 0.0000000 0.0000000 0.4444444), wk = 0.0028169 k( 167) = ( 0.0000000 0.0000000 0.4722222), wk = 0.0028169 k( 168) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028169 k( 169) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028169 k( 170) = ( 0.0000000 0.0116279 0.5000000), wk = 0.0028169 k( 171) = ( 0.0000000 0.0232558 0.5000000), wk = 0.0028169 k( 172) = ( 0.0000000 0.0348837 0.5000000), wk = 0.0028169 k( 173) = ( 0.0000000 0.0465116 0.5000000), wk = 0.0028169 k( 174) = ( 0.0000000 0.0581395 0.5000000), wk = 0.0028169 k( 175) = ( 0.0000000 0.0697674 0.5000000), wk = 0.0028169 k( 176) = ( 0.0000000 0.0813954 0.5000000), wk = 0.0028169 k( 177) = ( 0.0000000 0.0930233 0.5000000), wk = 0.0028169 k( 178) = ( 0.0000000 0.1046512 0.5000000), wk = 0.0028169 k( 179) = ( 0.0000000 0.1162791 0.5000000), wk = 0.0028169 k( 180) = ( 0.0000000 0.1279070 0.5000000), wk = 0.0028169 k( 181) = ( 0.0000000 0.1395349 0.5000000), wk = 0.0028169 k( 182) = ( 0.0000000 0.1511628 0.5000000), wk = 0.0028169 k( 183) = ( 0.0000000 0.1627907 0.5000000), wk = 0.0028169 k( 184) = ( 0.0000000 0.1744186 0.5000000), wk = 0.0028169 k( 185) = ( 0.0000000 0.1860465 0.5000000), wk = 0.0028169 k( 186) = ( 0.0000000 0.1976744 0.5000000), wk = 0.0028169 k( 187) = ( 0.0000000 0.2093023 0.5000000), wk = 0.0028169 k( 188) = ( 0.0000000 0.2209302 0.5000000), wk = 0.0028169 k( 189) = ( 0.0000000 0.2325581 0.5000000), wk = 0.0028169 k( 190) = ( 0.0000000 0.2441860 0.5000000), wk = 0.0028169 k( 191) = ( 0.0000000 0.2558140 0.5000000), wk = 0.0028169 k( 192) = ( 0.0000000 0.2674419 0.5000000), wk = 0.0028169 k( 193) = ( 0.0000000 0.2790698 0.5000000), wk = 0.0028169 k( 194) = ( 0.0000000 0.2906977 0.5000000), wk = 0.0028169 k( 195) = ( 0.0000000 0.3023256 0.5000000), wk = 0.0028169 k( 196) = ( 0.0000000 0.3139535 0.5000000), wk = 0.0028169 k( 197) = ( 0.0000000 0.3255814 0.5000000), wk = 0.0028169 k( 198) = ( 0.0000000 0.3372093 0.5000000), wk = 0.0028169 k( 199) = ( 0.0000000 0.3488372 0.5000000), wk = 0.0028169 k( 200) = ( 0.0000000 0.3604651 0.5000000), wk = 0.0028169 k( 201) = ( 0.0000000 0.3720930 0.5000000), wk = 0.0028169 k( 202) = ( 0.0000000 0.3837209 0.5000000), wk = 0.0028169 k( 203) = ( 0.0000000 0.3953488 0.5000000), wk = 0.0028169 k( 204) = ( 0.0000000 0.4069767 0.5000000), wk = 0.0028169 k( 205) = ( 0.0000000 0.4186047 0.5000000), wk = 0.0028169 k( 206) = ( 0.0000000 0.4302326 0.5000000), wk = 0.0028169 k( 207) = ( 0.0000000 0.4418605 0.5000000), wk = 0.0028169 k( 208) = ( 0.0000000 0.4534884 0.5000000), wk = 0.0028169 k( 209) = ( 0.0000000 0.4651163 0.5000000), wk = 0.0028169 k( 210) = ( 0.0000000 0.4767442 0.5000000), wk = 0.0028169 k( 211) = ( 0.0000000 0.4883721 0.5000000), wk = 0.0028169 k( 212) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0028169 k( 213) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0028169 k( 214) = ( 0.0116279 0.5000000 0.5000000), wk = 0.0028169 k( 215) = ( 0.0232558 0.5000000 0.5000000), wk = 0.0028169 k( 216) = ( 0.0348837 0.5000000 0.5000000), wk = 0.0028169 k( 217) = ( 0.0465116 0.5000000 0.5000000), wk = 0.0028169 k( 218) = ( 0.0581395 0.5000000 0.5000000), wk = 0.0028169 k( 219) = ( 0.0697674 0.5000000 0.5000000), wk = 0.0028169 k( 220) = ( 0.0813954 0.5000000 0.5000000), wk = 0.0028169 k( 221) = ( 0.0930233 0.5000000 0.5000000), wk = 0.0028169 k( 222) = ( 0.1046512 0.5000000 0.5000000), wk = 0.0028169 k( 223) = ( 0.1162791 0.5000000 0.5000000), wk = 0.0028169 k( 224) = ( 0.1279070 0.5000000 0.5000000), wk = 0.0028169 k( 225) = ( 0.1395349 0.5000000 0.5000000), wk = 0.0028169 k( 226) = ( 0.1511628 0.5000000 0.5000000), wk = 0.0028169 k( 227) = ( 0.1627907 0.5000000 0.5000000), wk = 0.0028169 k( 228) = ( 0.1744186 0.5000000 0.5000000), wk = 0.0028169 k( 229) = ( 0.1860465 0.5000000 0.5000000), wk = 0.0028169 k( 230) = ( 0.1976744 0.5000000 0.5000000), wk = 0.0028169 k( 231) = ( 0.2093023 0.5000000 0.5000000), wk = 0.0028169 k( 232) = ( 0.2209302 0.5000000 0.5000000), wk = 0.0028169 k( 233) = ( 0.2325581 0.5000000 0.5000000), wk = 0.0028169 k( 234) = ( 0.2441860 0.5000000 0.5000000), wk = 0.0028169 k( 235) = ( 0.2558140 0.5000000 0.5000000), wk = 0.0028169 k( 236) = ( 0.2674419 0.5000000 0.5000000), wk = 0.0028169 k( 237) = ( 0.2790698 0.5000000 0.5000000), wk = 0.0028169 k( 238) = ( 0.2906977 0.5000000 0.5000000), wk = 0.0028169 k( 239) = ( 0.3023256 0.5000000 0.5000000), wk = 0.0028169 k( 240) = ( 0.3139535 0.5000000 0.5000000), wk = 0.0028169 k( 241) = ( 0.3255814 0.5000000 0.5000000), wk = 0.0028169 k( 242) = ( 0.3372093 0.5000000 0.5000000), wk = 0.0028169 k( 243) = ( 0.3488372 0.5000000 0.5000000), wk = 0.0028169 k( 244) = ( 0.3604651 0.5000000 0.5000000), wk = 0.0028169 k( 245) = ( 0.3720930 0.5000000 0.5000000), wk = 0.0028169 k( 246) = ( 0.3837209 0.5000000 0.5000000), wk = 0.0028169 k( 247) = ( 0.3953488 0.5000000 0.5000000), wk = 0.0028169 k( 248) = ( 0.4069767 0.5000000 0.5000000), wk = 0.0028169 k( 249) = ( 0.4186047 0.5000000 0.5000000), wk = 0.0028169 k( 250) = ( 0.4302326 0.5000000 0.5000000), wk = 0.0028169 k( 251) = ( 0.4418605 0.5000000 0.5000000), wk = 0.0028169 k( 252) = ( 0.4534884 0.5000000 0.5000000), wk = 0.0028169 k( 253) = ( 0.4651163 0.5000000 0.5000000), wk = 0.0028169 k( 254) = ( 0.4767442 0.5000000 0.5000000), wk = 0.0028169 k( 255) = ( 0.4883721 0.5000000 0.5000000), wk = 0.0028169 k( 256) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0028169 k( 257) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0028169 k( 258) = ( 0.4916667 0.4916667 0.5000000), wk = 0.0028169 k( 259) = ( 0.4833333 0.4833333 0.5000000), wk = 0.0028169 k( 260) = ( 0.4750000 0.4750000 0.5000000), wk = 0.0028169 k( 261) = ( 0.4666667 0.4666667 0.5000000), wk = 0.0028169 k( 262) = ( 0.4583333 0.4583333 0.5000000), wk = 0.0028169 k( 263) = ( 0.4500000 0.4500000 0.5000000), wk = 0.0028169 k( 264) = ( 0.4416667 0.4416667 0.5000000), wk = 0.0028169 k( 265) = ( 0.4333333 0.4333333 0.5000000), wk = 0.0028169 k( 266) = ( 0.4250000 0.4250000 0.5000000), wk = 0.0028169 k( 267) = ( 0.4166667 0.4166667 0.5000000), wk = 0.0028169 k( 268) = ( 0.4083333 0.4083333 0.5000000), wk = 0.0028169 k( 269) = ( 0.4000000 0.4000000 0.5000000), wk = 0.0028169 k( 270) = ( 0.3916667 0.3916667 0.5000000), wk = 0.0028169 k( 271) = ( 0.3833333 0.3833333 0.5000000), wk = 0.0028169 k( 272) = ( 0.3750000 0.3750000 0.5000000), wk = 0.0028169 k( 273) = ( 0.3666667 0.3666667 0.5000000), wk = 0.0028169 k( 274) = ( 0.3583333 0.3583333 0.5000000), wk = 0.0028169 k( 275) = ( 0.3500000 0.3500000 0.5000000), wk = 0.0028169 k( 276) = ( 0.3416667 0.3416667 0.5000000), wk = 0.0028169 k( 277) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0028169 k( 278) = ( 0.3250000 0.3250000 0.5000000), wk = 0.0028169 k( 279) = ( 0.3166667 0.3166667 0.5000000), wk = 0.0028169 k( 280) = ( 0.3083333 0.3083333 0.5000000), wk = 0.0028169 k( 281) = ( 0.3000000 0.3000000 0.5000000), wk = 0.0028169 k( 282) = ( 0.2916667 0.2916667 0.5000000), wk = 0.0028169 k( 283) = ( 0.2833333 0.2833333 0.5000000), wk = 0.0028169 k( 284) = ( 0.2750000 0.2750000 0.5000000), wk = 0.0028169 k( 285) = ( 0.2666667 0.2666667 0.5000000), wk = 0.0028169 k( 286) = ( 0.2583333 0.2583333 0.5000000), wk = 0.0028169 k( 287) = ( 0.2500000 0.2500000 0.5000000), wk = 0.0028169 k( 288) = ( 0.2416667 0.2416667 0.5000000), wk = 0.0028169 k( 289) = ( 0.2333333 0.2333333 0.5000000), wk = 0.0028169 k( 290) = ( 0.2250000 0.2250000 0.5000000), wk = 0.0028169 k( 291) = ( 0.2166667 0.2166667 0.5000000), wk = 0.0028169 k( 292) = ( 0.2083333 0.2083333 0.5000000), wk = 0.0028169 k( 293) = ( 0.2000000 0.2000000 0.5000000), wk = 0.0028169 k( 294) = ( 0.1916667 0.1916667 0.5000000), wk = 0.0028169 k( 295) = ( 0.1833333 0.1833333 0.5000000), wk = 0.0028169 k( 296) = ( 0.1750000 0.1750000 0.5000000), wk = 0.0028169 k( 297) = ( 0.1666667 0.1666667 0.5000000), wk = 0.0028169 k( 298) = ( 0.1583333 0.1583333 0.5000000), wk = 0.0028169 k( 299) = ( 0.1500000 0.1500000 0.5000000), wk = 0.0028169 k( 300) = ( 0.1416667 0.1416667 0.5000000), wk = 0.0028169 k( 301) = ( 0.1333333 0.1333333 0.5000000), wk = 0.0028169 k( 302) = ( 0.1250000 0.1250000 0.5000000), wk = 0.0028169 k( 303) = ( 0.1166667 0.1166667 0.5000000), wk = 0.0028169 k( 304) = ( 0.1083333 0.1083333 0.5000000), wk = 0.0028169 k( 305) = ( 0.1000000 0.1000000 0.5000000), wk = 0.0028169 k( 306) = ( 0.0916667 0.0916667 0.5000000), wk = 0.0028169 k( 307) = ( 0.0833333 0.0833333 0.5000000), wk = 0.0028169 k( 308) = ( 0.0750000 0.0750000 0.5000000), wk = 0.0028169 k( 309) = ( 0.0666667 0.0666667 0.5000000), wk = 0.0028169 k( 310) = ( 0.0583333 0.0583333 0.5000000), wk = 0.0028169 k( 311) = ( 0.0500000 0.0500000 0.5000000), wk = 0.0028169 k( 312) = ( 0.0416667 0.0416667 0.5000000), wk = 0.0028169 k( 313) = ( 0.0333333 0.0333333 0.5000000), wk = 0.0028169 k( 314) = ( 0.0250000 0.0250000 0.5000000), wk = 0.0028169 k( 315) = ( 0.0166667 0.0166667 0.5000000), wk = 0.0028169 k( 316) = ( 0.0083333 0.0083333 0.5000000), wk = 0.0028169 k( 317) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028169 k( 318) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0028169 k( 319) = ( 0.0000000 0.5000000 0.0277778), wk = 0.0028169 k( 320) = ( 0.0000000 0.5000000 0.0555556), wk = 0.0028169 k( 321) = ( 0.0000000 0.5000000 0.0833333), wk = 0.0028169 k( 322) = ( 0.0000000 0.5000000 0.1111111), wk = 0.0028169 k( 323) = ( 0.0000000 0.5000000 0.1388889), wk = 0.0028169 k( 324) = ( 0.0000000 0.5000000 0.1666667), wk = 0.0028169 k( 325) = ( 0.0000000 0.5000000 0.1944444), wk = 0.0028169 k( 326) = ( 0.0000000 0.5000000 0.2222222), wk = 0.0028169 k( 327) = ( 0.0000000 0.5000000 0.2500000), wk = 0.0028169 k( 328) = ( 0.0000000 0.5000000 0.2777778), wk = 0.0028169 k( 329) = ( 0.0000000 0.5000000 0.3055556), wk = 0.0028169 k( 330) = ( 0.0000000 0.5000000 0.3333333), wk = 0.0028169 k( 331) = ( 0.0000000 0.5000000 0.3611111), wk = 0.0028169 k( 332) = ( 0.0000000 0.5000000 0.3888889), wk = 0.0028169 k( 333) = ( 0.0000000 0.5000000 0.4166667), wk = 0.0028169 k( 334) = ( 0.0000000 0.5000000 0.4444444), wk = 0.0028169 k( 335) = ( 0.0000000 0.5000000 0.4722222), wk = 0.0028169 k( 336) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0028169 k( 337) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0028169 k( 338) = ( 0.5000000 0.5000000 0.0277778), wk = 0.0028169 k( 339) = ( 0.5000000 0.5000000 0.0555556), wk = 0.0028169 k( 340) = ( 0.5000000 0.5000000 0.0833333), wk = 0.0028169 k( 341) = ( 0.5000000 0.5000000 0.1111111), wk = 0.0028169 k( 342) = ( 0.5000000 0.5000000 0.1388889), wk = 0.0028169 k( 343) = ( 0.5000000 0.5000000 0.1666667), wk = 0.0028169 k( 344) = ( 0.5000000 0.5000000 0.1944444), wk = 0.0028169 k( 345) = ( 0.5000000 0.5000000 0.2222222), wk = 0.0028169 k( 346) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0028169 k( 347) = ( 0.5000000 0.5000000 0.2777778), wk = 0.0028169 k( 348) = ( 0.5000000 0.5000000 0.3055556), wk = 0.0028169 k( 349) = ( 0.5000000 0.5000000 0.3333333), wk = 0.0028169 k( 350) = ( 0.5000000 0.5000000 0.3611111), wk = 0.0028169 k( 351) = ( 0.5000000 0.5000000 0.3888889), wk = 0.0028169 k( 352) = ( 0.5000000 0.5000000 0.4166667), wk = 0.0028169 k( 353) = ( 0.5000000 0.5000000 0.4444444), wk = 0.0028169 k( 354) = ( 0.5000000 0.5000000 0.4722222), wk = 0.0028169 k( 355) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0028169 Dense grid: 51879 G-vectors FFT dimensions: ( 36, 36, 90) Smooth grid: 40205 G-vectors FFT dimensions: ( 32, 32, 80) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.25 Mb ( 292, 56) NL pseudopotentials 0.53 Mb ( 146, 236) Each V/rho on FFT grid 0.06 Mb ( 3888) Each G-vector array 0.01 Mb ( 1442) G-vector shells 0.01 Mb ( 714) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.00 Mb ( 292, 224) Each subspace H/S matrix 0.05 Mb ( 56, 56) Each matrix 0.40 Mb ( 236, 2, 56) The potential is recalculated from file : ./ZrSi2Cu.save/charge-density.dat Starting wfc are 104 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.2 secs Computing kpt #: 2 total cpu time spent up to now is 3.9 secs Computing kpt #: 3 total cpu time spent up to now is 4.5 secs Computing kpt #: 4 total cpu time spent up to now is 5.2 secs Computing kpt #: 5 total cpu time spent up to now is 5.8 secs Computing kpt #: 6 total cpu time spent up to now is 6.5 secs Computing kpt #: 7 total cpu time spent up to now is 7.0 secs Computing kpt #: 8 total cpu time spent up to now is 7.6 secs Computing kpt #: 9 total cpu time spent up to now is 8.2 secs Computing kpt #: 10 total cpu time spent up to now is 8.7 secs Computing kpt #: 11 total cpu time spent up to now is 9.3 secs Computing kpt #: 12 total cpu time spent up to now is 9.8 secs Computing kpt #: 13 total cpu time spent up to now is 10.4 secs Computing kpt #: 14 total cpu time spent up to now is 10.9 secs Computing kpt #: 15 total cpu time spent up to now is 11.5 secs Computing kpt #: 16 total cpu time spent up to now is 12.1 secs Computing kpt #: 17 total cpu time spent up to now is 12.7 secs Computing kpt #: 18 total cpu time spent up to now is 13.3 secs Computing kpt #: 19 total cpu time spent up to now is 13.9 secs Computing kpt #: 20 total cpu time spent up to now is 14.6 secs Computing kpt #: 21 total cpu time spent up to now is 15.2 secs Computing kpt #: 22 total cpu time spent up to now is 15.8 secs Computing kpt #: 23 total cpu time spent up to now is 16.4 secs Computing kpt #: 24 total cpu time spent up to now is 17.0 secs Computing kpt #: 25 total cpu time spent up to now is 17.6 secs Computing kpt #: 26 total cpu time spent up to now is 18.3 secs Computing kpt #: 27 total cpu time spent up to now is 18.9 secs Computing kpt #: 28 total cpu time spent up to now is 19.5 secs Computing kpt #: 29 total cpu time spent up to now is 20.2 secs Computing kpt #: 30 total cpu time spent up to now is 20.8 secs Computing kpt #: 31 total cpu time spent up to now is 21.5 secs Computing kpt #: 32 total cpu time spent up to now is 22.1 secs Computing kpt #: 33 total cpu time spent up to now is 22.8 secs Computing kpt #: 34 total cpu time spent up to now is 23.4 secs Computing kpt #: 35 total cpu time spent up to now is 24.1 secs Computing kpt #: 36 total cpu time spent up to now is 24.8 secs Computing kpt #: 37 total cpu time spent up to now is 25.5 secs Computing kpt #: 38 total cpu time spent up to now is 26.3 secs Computing kpt #: 39 total cpu time spent up to now is 27.2 secs Computing kpt #: 40 total cpu time spent up to now is 28.3 secs Computing kpt #: 41 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 30.1 secs Computing kpt #: 42 total cpu time spent up to now is 31.0 secs Computing kpt #: 43 total cpu time spent up to now is 31.8 secs Computing kpt #: 44 total cpu time spent up to now is 32.5 secs Computing kpt #: 45 total cpu time spent up to now is 33.2 secs Computing kpt #: 46 total cpu time spent up to now is 33.9 secs Computing kpt #: 47 total cpu time spent up to now is 34.6 secs Computing kpt #: 48 total cpu time spent up to now is 35.3 secs Computing kpt #: 49 total cpu time spent up to now is 36.0 secs Computing kpt #: 50 total cpu time spent up to now is 36.8 secs Computing kpt #: 51 total cpu time spent up to now is 37.5 secs Computing kpt #: 52 total cpu time spent up to now is 38.3 secs Computing kpt #: 53 total cpu time spent up to now is 39.2 secs Computing kpt #: 54 total cpu time spent up to now is 40.0 secs Computing kpt #: 55 total cpu time spent up to now is 40.8 secs Computing kpt #: 56 total cpu time spent up to now is 41.4 secs Computing kpt #: 57 total cpu time spent up to now is 42.1 secs Computing kpt #: 58 total cpu time spent up to now is 42.7 secs Computing kpt #: 59 total cpu time spent up to now is 43.4 secs Computing kpt #: 60 total cpu time spent up to now is 44.0 secs Computing kpt #: 61 total cpu time spent up to now is 44.7 secs Computing kpt #: 62 total cpu time spent up to now is 45.4 secs Computing kpt #: 63 total cpu time spent up to now is 46.1 secs Computing kpt #: 64 total cpu time spent up to now is 46.8 secs Computing kpt #: 65 total cpu time spent up to now is 47.5 secs Computing kpt #: 66 total cpu time spent up to now is 48.2 secs Computing kpt #: 67 total cpu time spent up to now is 48.9 secs Computing kpt #: 68 total cpu time spent up to now is 49.5 secs Computing kpt #: 69 total cpu time spent up to now is 50.2 secs Computing kpt #: 70 total cpu time spent up to now is 51.0 secs Computing kpt #: 71 total cpu time spent up to now is 51.7 secs Computing kpt #: 72 total cpu time spent up to now is 52.5 secs Computing kpt #: 73 total cpu time spent up to now is 53.2 secs Computing kpt #: 74 total cpu time spent up to now is 54.0 secs Computing kpt #: 75 total cpu time spent up to now is 54.8 secs Computing kpt #: 76 total cpu time spent up to now is 55.6 secs Computing kpt #: 77 total cpu time spent up to now is 56.4 secs Computing kpt #: 78 total cpu time spent up to now is 57.2 secs Computing kpt #: 79 total cpu time spent up to now is 58.1 secs Computing kpt #: 80 total cpu time spent up to now is 58.9 secs Computing kpt #: 81 total cpu time spent up to now is 59.7 secs Computing kpt #: 82 total cpu time spent up to now is 60.6 secs Computing kpt #: 83 total cpu time spent up to now is 61.4 secs Computing kpt #: 84 total cpu time spent up to now is 62.2 secs Computing kpt #: 85 total cpu time spent up to now is 62.9 secs Computing kpt #: 86 total cpu time spent up to now is 63.6 secs Computing kpt #: 87 total cpu time spent up to now is 64.2 secs Computing kpt #: 88 total cpu time spent up to now is 64.9 secs Computing kpt #: 89 total cpu time spent up to now is 65.6 secs Computing kpt #: 90 total cpu time spent up to now is 66.3 secs Computing kpt #: 91 total cpu time spent up to now is 67.0 secs Computing kpt #: 92 total cpu time spent up to now is 67.8 secs Computing kpt #: 93 total cpu time spent up to now is 68.6 secs Computing kpt #: 94 total cpu time spent up to now is 69.4 secs Computing kpt #: 95 total cpu time spent up to now is 70.3 secs Computing kpt #: 96 total cpu time spent up to now is 71.2 secs Computing kpt #: 97 total cpu time spent up to now is 72.1 secs Computing kpt #: 98 total cpu time spent up to now is 72.9 secs Computing kpt #: 99 total cpu time spent up to now is 73.9 secs Computing kpt #: 100 total cpu time spent up to now is 74.9 secs Computing kpt #: 101 total cpu time spent up to now is 75.9 secs Computing kpt #: 102 total cpu time spent up to now is 76.9 secs Computing kpt #: 103 total cpu time spent up to now is 77.9 secs Computing kpt #: 104 total cpu time spent up to now is 78.9 secs Computing kpt #: 105 total cpu time spent up to now is 79.8 secs Computing kpt #: 106 total cpu time spent up to now is 80.8 secs Computing kpt #: 107 total cpu time spent up to now is 81.7 secs Computing kpt #: 108 total cpu time spent up to now is 82.6 secs Computing kpt #: 109 total cpu time spent up to now is 83.6 secs Computing kpt #: 110 total cpu time spent up to now is 84.6 secs Computing kpt #: 111 total cpu time spent up to now is 85.6 secs Computing kpt #: 112 total cpu time spent up to now is 86.7 secs Computing kpt #: 113 total cpu time spent up to now is 87.9 secs Computing kpt #: 114 total cpu time spent up to now is 89.1 secs Computing kpt #: 115 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 90.8 secs Computing kpt #: 116 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 92.5 secs Computing kpt #: 117 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 94.2 secs Computing kpt #: 118 total cpu time spent up to now is 95.8 secs Computing kpt #: 119 total cpu time spent up to now is 97.4 secs Computing kpt #: 120 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 99.1 secs Computing kpt #: 121 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 100.8 secs Computing kpt #: 122 total cpu time spent up to now is 102.1 secs Computing kpt #: 123 total cpu time spent up to now is 103.0 secs Computing kpt #: 124 total cpu time spent up to now is 103.7 secs Computing kpt #: 125 total cpu time spent up to now is 104.4 secs Computing kpt #: 126 total cpu time spent up to now is 105.2 secs Computing kpt #: 127 total cpu time spent up to now is 106.2 secs Computing kpt #: 128 total cpu time spent up to now is 107.1 secs Computing kpt #: 129 total cpu time spent up to now is 107.7 secs Computing kpt #: 130 total cpu time spent up to now is 108.4 secs Computing kpt #: 131 total cpu time spent up to now is 109.0 secs Computing kpt #: 132 total cpu time spent up to now is 109.6 secs Computing kpt #: 133 total cpu time spent up to now is 110.1 secs Computing kpt #: 134 total cpu time spent up to now is 110.7 secs Computing kpt #: 135 total cpu time spent up to now is 111.3 secs Computing kpt #: 136 total cpu time spent up to now is 111.8 secs Computing kpt #: 137 total cpu time spent up to now is 112.4 secs Computing kpt #: 138 total cpu time spent up to now is 112.9 secs Computing kpt #: 139 total cpu time spent up to now is 113.6 secs Computing kpt #: 140 total cpu time spent up to now is 114.2 secs Computing kpt #: 141 total cpu time spent up to now is 114.8 secs Computing kpt #: 142 total cpu time spent up to now is 115.4 secs Computing kpt #: 143 total cpu time spent up to now is 116.1 secs Computing kpt #: 144 total cpu time spent up to now is 116.7 secs Computing kpt #: 145 total cpu time spent up to now is 117.4 secs Computing kpt #: 146 total cpu time spent up to now is 118.0 secs Computing kpt #: 147 total cpu time spent up to now is 118.7 secs Computing kpt #: 148 total cpu time spent up to now is 119.6 secs Computing kpt #: 149 total cpu time spent up to now is 120.3 secs Computing kpt #: 150 total cpu time spent up to now is 121.2 secs Computing kpt #: 151 total cpu time spent up to now is 121.9 secs Computing kpt #: 152 total cpu time spent up to now is 122.7 secs Computing kpt #: 153 total cpu time spent up to now is 123.6 secs Computing kpt #: 154 total cpu time spent up to now is 124.4 secs Computing kpt #: 155 total cpu time spent up to now is 125.3 secs Computing kpt #: 156 total cpu time spent up to now is 126.1 secs Computing kpt #: 157 total cpu time spent up to now is 126.9 secs Computing kpt #: 158 total cpu time spent up to now is 127.6 secs Computing kpt #: 159 total cpu time spent up to now is 128.3 secs Computing kpt #: 160 total cpu time spent up to now is 129.0 secs Computing kpt #: 161 total cpu time spent up to now is 129.7 secs Computing kpt #: 162 total cpu time spent up to now is 130.4 secs Computing kpt #: 163 total cpu time spent up to now is 131.1 secs Computing kpt #: 164 total cpu time spent up to now is 131.8 secs Computing kpt #: 165 total cpu time spent up to now is 132.6 secs Computing kpt #: 166 total cpu time spent up to now is 133.3 secs Computing kpt #: 167 total cpu time spent up to now is 134.2 secs Computing kpt #: 168 total cpu time spent up to now is 135.1 secs Computing kpt #: 169 total cpu time spent up to now is 136.0 secs Computing kpt #: 170 total cpu time spent up to now is 136.7 secs Computing kpt #: 171 total cpu time spent up to now is 137.4 secs Computing kpt #: 172 total cpu time spent up to now is 138.1 secs Computing kpt #: 173 total cpu time spent up to now is 139.1 secs Computing kpt #: 174 total cpu time spent up to now is 139.7 secs Computing kpt #: 175 total cpu time spent up to now is 140.4 secs Computing kpt #: 176 total cpu time spent up to now is 141.1 secs Computing kpt #: 177 total cpu time spent up to now is 141.8 secs Computing kpt #: 178 total cpu time spent up to now is 142.5 secs Computing kpt #: 179 total cpu time spent up to now is 143.3 secs Computing kpt #: 180 total cpu time spent up to now is 144.1 secs Computing kpt #: 181 total cpu time spent up to now is 144.9 secs Computing kpt #: 182 total cpu time spent up to now is 145.7 secs Computing kpt #: 183 total cpu time spent up to now is 146.4 secs Computing kpt #: 184 total cpu time spent up to now is 147.3 secs Computing kpt #: 185 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 149.0 secs Computing kpt #: 186 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 150.7 secs Computing kpt #: 187 total cpu time spent up to now is 151.6 secs Computing kpt #: 188 total cpu time spent up to now is 152.3 secs Computing kpt #: 189 total cpu time spent up to now is 153.0 secs Computing kpt #: 190 total cpu time spent up to now is 153.8 secs Computing kpt #: 191 total cpu time spent up to now is 154.5 secs Computing kpt #: 192 total cpu time spent up to now is 155.3 secs Computing kpt #: 193 total cpu time spent up to now is 156.1 secs Computing kpt #: 194 total cpu time spent up to now is 156.9 secs Computing kpt #: 195 total cpu time spent up to now is 157.7 secs Computing kpt #: 196 total cpu time spent up to now is 158.4 secs Computing kpt #: 197 total cpu time spent up to now is 159.2 secs Computing kpt #: 198 total cpu time spent up to now is 160.0 secs Computing kpt #: 199 total cpu time spent up to now is 161.1 secs Computing kpt #: 200 total cpu time spent up to now is 162.4 secs Computing kpt #: 201 total cpu time spent up to now is 163.8 secs Computing kpt #: 202 total cpu time spent up to now is 164.8 secs Computing kpt #: 203 total cpu time spent up to now is 165.7 secs Computing kpt #: 204 total cpu time spent up to now is 166.6 secs Computing kpt #: 205 total cpu time spent up to now is 167.6 secs Computing kpt #: 206 total cpu time spent up to now is 168.5 secs Computing kpt #: 207 total cpu time spent up to now is 169.5 secs Computing kpt #: 208 total cpu time spent up to now is 170.5 secs Computing kpt #: 209 total cpu time spent up to now is 171.3 secs Computing kpt #: 210 total cpu time spent up to now is 172.0 secs Computing kpt #: 211 total cpu time spent up to now is 172.6 secs Computing kpt #: 212 total cpu time spent up to now is 173.3 secs Computing kpt #: 213 total cpu time spent up to now is 174.0 secs Computing kpt #: 214 total cpu time spent up to now is 174.7 secs Computing kpt #: 215 total cpu time spent up to now is 175.4 secs Computing kpt #: 216 total cpu time spent up to now is 176.0 secs Computing kpt #: 217 total cpu time spent up to now is 176.7 secs Computing kpt #: 218 total cpu time spent up to now is 177.4 secs Computing kpt #: 219 total cpu time spent up to now is 178.0 secs Computing kpt #: 220 total cpu time spent up to now is 178.7 secs Computing kpt #: 221 total cpu time spent up to now is 179.4 secs Computing kpt #: 222 total cpu time spent up to now is 180.0 secs Computing kpt #: 223 total cpu time spent up to now is 180.7 secs Computing kpt #: 224 total cpu time spent up to now is 181.5 secs Computing kpt #: 225 total cpu time spent up to now is 182.4 secs Computing kpt #: 226 total cpu time spent up to now is 183.3 secs Computing kpt #: 227 total cpu time spent up to now is 184.2 secs Computing kpt #: 228 total cpu time spent up to now is 185.1 secs Computing kpt #: 229 total cpu time spent up to now is 186.0 secs Computing kpt #: 230 total cpu time spent up to now is 186.9 secs Computing kpt #: 231 total cpu time spent up to now is 187.8 secs Computing kpt #: 232 total cpu time spent up to now is 188.7 secs Computing kpt #: 233 total cpu time spent up to now is 189.5 secs Computing kpt #: 234 total cpu time spent up to now is 190.4 secs Computing kpt #: 235 total cpu time spent up to now is 191.2 secs Computing kpt #: 236 total cpu time spent up to now is 192.0 secs Computing kpt #: 237 total cpu time spent up to now is 192.9 secs Computing kpt #: 238 total cpu time spent up to now is 193.7 secs Computing kpt #: 239 total cpu time spent up to now is 194.5 secs Computing kpt #: 240 total cpu time spent up to now is 195.3 secs Computing kpt #: 241 total cpu time spent up to now is 196.1 secs Computing kpt #: 242 total cpu time spent up to now is 196.9 secs Computing kpt #: 243 total cpu time spent up to now is 197.7 secs Computing kpt #: 244 total cpu time spent up to now is 198.4 secs Computing kpt #: 245 total cpu time spent up to now is 199.2 secs Computing kpt #: 246 total cpu time spent up to now is 200.0 secs Computing kpt #: 247 total cpu time spent up to now is 200.7 secs Computing kpt #: 248 total cpu time spent up to now is 201.5 secs Computing kpt #: 249 total cpu time spent up to now is 202.2 secs Computing kpt #: 250 total cpu time spent up to now is 202.9 secs Computing kpt #: 251 total cpu time spent up to now is 203.7 secs Computing kpt #: 252 total cpu time spent up to now is 204.4 secs Computing kpt #: 253 total cpu time spent up to now is 205.1 secs Computing kpt #: 254 total cpu time spent up to now is 205.8 secs Computing kpt #: 255 total cpu time spent up to now is 206.4 secs Computing kpt #: 256 total cpu time spent up to now is 207.0 secs Computing kpt #: 257 total cpu time spent up to now is 207.5 secs Computing kpt #: 258 total cpu time spent up to now is 208.2 secs Computing kpt #: 259 total cpu time spent up to now is 208.8 secs Computing kpt #: 260 total cpu time spent up to now is 209.5 secs Computing kpt #: 261 total cpu time spent up to now is 210.2 secs Computing kpt #: 262 total cpu time spent up to now is 210.9 secs Computing kpt #: 263 total cpu time spent up to now is 211.6 secs Computing kpt #: 264 total cpu time spent up to now is 212.3 secs Computing kpt #: 265 total cpu time spent up to now is 213.0 secs Computing kpt #: 266 total cpu time spent up to now is 213.8 secs Computing kpt #: 267 total cpu time spent up to now is 214.5 secs Computing kpt #: 268 total cpu time spent up to now is 215.3 secs Computing kpt #: 269 total cpu time spent up to now is 216.0 secs Computing kpt #: 270 total cpu time spent up to now is 216.7 secs Computing kpt #: 271 total cpu time spent up to now is 217.7 secs Computing kpt #: 272 total cpu time spent up to now is 218.8 secs Computing kpt #: 273 total cpu time spent up to now is 220.0 secs Computing kpt #: 274 total cpu time spent up to now is 221.1 secs Computing kpt #: 275 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 222.8 secs Computing kpt #: 276 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 224.4 secs Computing kpt #: 277 total cpu time spent up to now is 225.3 secs Computing kpt #: 278 total cpu time spent up to now is 226.0 secs Computing kpt #: 279 total cpu time spent up to now is 226.6 secs Computing kpt #: 280 total cpu time spent up to now is 227.3 secs Computing kpt #: 281 total cpu time spent up to now is 227.9 secs Computing kpt #: 282 total cpu time spent up to now is 228.5 secs Computing kpt #: 283 total cpu time spent up to now is 229.1 secs Computing kpt #: 284 total cpu time spent up to now is 229.8 secs Computing kpt #: 285 total cpu time spent up to now is 230.4 secs Computing kpt #: 286 total cpu time spent up to now is 231.0 secs Computing kpt #: 287 total cpu time spent up to now is 231.7 secs Computing kpt #: 288 total cpu time spent up to now is 232.3 secs Computing kpt #: 289 total cpu time spent up to now is 233.1 secs Computing kpt #: 290 total cpu time spent up to now is 233.8 secs Computing kpt #: 291 total cpu time spent up to now is 234.8 secs Computing kpt #: 292 total cpu time spent up to now is 236.3 secs Computing kpt #: 293 total cpu time spent up to now is 237.7 secs Computing kpt #: 294 total cpu time spent up to now is 238.7 secs Computing kpt #: 295 total cpu time spent up to now is 239.4 secs Computing kpt #: 296 total cpu time spent up to now is 240.0 secs Computing kpt #: 297 total cpu time spent up to now is 240.7 secs Computing kpt #: 298 total cpu time spent up to now is 241.3 secs Computing kpt #: 299 total cpu time spent up to now is 242.0 secs Computing kpt #: 300 total cpu time spent up to now is 242.6 secs Computing kpt #: 301 total cpu time spent up to now is 243.3 secs Computing kpt #: 302 total cpu time spent up to now is 244.2 secs Computing kpt #: 303 total cpu time spent up to now is 245.2 secs Computing kpt #: 304 total cpu time spent up to now is 246.1 secs Computing kpt #: 305 total cpu time spent up to now is 247.2 secs Computing kpt #: 306 total cpu time spent up to now is 248.3 secs Computing kpt #: 307 total cpu time spent up to now is 249.5 secs Computing kpt #: 308 total cpu time spent up to now is 250.6 secs Computing kpt #: 309 total cpu time spent up to now is 251.8 secs Computing kpt #: 310 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 253.5 secs Computing kpt #: 311 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 255.2 secs Computing kpt #: 312 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 257.0 secs Computing kpt #: 313 total cpu time spent up to now is 257.9 secs Computing kpt #: 314 total cpu time spent up to now is 258.7 secs Computing kpt #: 315 total cpu time spent up to now is 259.4 secs Computing kpt #: 316 total cpu time spent up to now is 260.3 secs Computing kpt #: 317 total cpu time spent up to now is 261.2 secs Computing kpt #: 318 total cpu time spent up to now is 261.9 secs Computing kpt #: 319 total cpu time spent up to now is 262.6 secs Computing kpt #: 320 total cpu time spent up to now is 263.3 secs Computing kpt #: 321 total cpu time spent up to now is 264.2 secs Computing kpt #: 322 total cpu time spent up to now is 264.9 secs Computing kpt #: 323 total cpu time spent up to now is 265.6 secs Computing kpt #: 324 total cpu time spent up to now is 266.6 secs Computing kpt #: 325 total cpu time spent up to now is 267.6 secs Computing kpt #: 326 total cpu time spent up to now is 268.6 secs Computing kpt #: 327 total cpu time spent up to now is 270.1 secs Computing kpt #: 328 total cpu time spent up to now is 271.0 secs Computing kpt #: 329 total cpu time spent up to now is 272.0 secs Computing kpt #: 330 total cpu time spent up to now is 272.9 secs Computing kpt #: 331 total cpu time spent up to now is 273.9 secs Computing kpt #: 332 total cpu time spent up to now is 274.7 secs Computing kpt #: 333 total cpu time spent up to now is 275.4 secs Computing kpt #: 334 total cpu time spent up to now is 276.1 secs Computing kpt #: 335 total cpu time spent up to now is 276.9 secs Computing kpt #: 336 total cpu time spent up to now is 277.6 secs Computing kpt #: 337 total cpu time spent up to now is 278.3 secs Computing kpt #: 338 total cpu time spent up to now is 279.0 secs Computing kpt #: 339 total cpu time spent up to now is 279.6 secs Computing kpt #: 340 total cpu time spent up to now is 280.3 secs Computing kpt #: 341 total cpu time spent up to now is 281.0 secs Computing kpt #: 342 total cpu time spent up to now is 281.8 secs Computing kpt #: 343 total cpu time spent up to now is 282.5 secs Computing kpt #: 344 total cpu time spent up to now is 283.2 secs Computing kpt #: 345 total cpu time spent up to now is 283.9 secs Computing kpt #: 346 total cpu time spent up to now is 284.6 secs Computing kpt #: 347 total cpu time spent up to now is 285.2 secs Computing kpt #: 348 total cpu time spent up to now is 285.8 secs Computing kpt #: 349 total cpu time spent up to now is 286.5 secs Computing kpt #: 350 total cpu time spent up to now is 287.1 secs Computing kpt #: 351 total cpu time spent up to now is 287.7 secs Computing kpt #: 352 total cpu time spent up to now is 288.2 secs Computing kpt #: 353 total cpu time spent up to now is 288.8 secs Computing kpt #: 354 total cpu time spent up to now is 289.4 secs Computing kpt #: 355 total cpu time spent up to now is 290.0 secs ethr = 2.17E-08, avg # of iterations = 37.9 total cpu time spent up to now is 290.0 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 5015 PWs) bands (ev): -1.2575 -1.2575 0.3864 0.3864 1.0021 1.0021 4.8423 4.8423 5.2429 5.2429 5.9901 5.9901 6.0805 6.0805 6.1232 6.1232 6.4125 6.4125 7.1241 7.1241 7.1690 7.1690 7.3120 7.3120 7.5190 7.5190 7.8179 7.8179 8.0102 8.0102 8.0364 8.0364 8.0476 8.0476 8.2358 8.2358 8.2418 8.2418 9.3301 9.3301 9.3555 9.3555 9.6204 9.6204 10.7901 10.7901 11.6157 11.6157 11.6574 11.6574 11.7880 11.7880 11.8222 11.8222 12.2099 12.2099 k = 0.0000 0.0116-0.0000 ( 5007 PWs) bands (ev): -1.2560 -1.2560 0.3877 0.3877 1.0034 1.0034 4.8436 4.8436 5.2432 5.2432 5.9899 5.9899 6.0802 6.0802 6.1238 6.1238 6.4103 6.4103 7.1193 7.1193 7.1718 7.1718 7.3123 7.3123 7.5189 7.5189 7.8171 7.8171 7.9120 7.9120 8.0423 8.0423 8.1332 8.1332 8.2339 8.2339 8.2413 8.2413 9.3270 9.3270 9.3531 9.3531 9.6293 9.6293 10.7968 10.7968 11.6160 11.6160 11.6284 11.6284 11.7853 11.7853 11.8200 11.8200 12.2211 12.2211 k = 0.0000 0.0233-0.0000 ( 5001 PWs) bands (ev): -1.2515 -1.2515 0.3914 0.3914 1.0076 1.0076 4.8476 4.8476 5.2440 5.2440 5.9895 5.9895 6.0794 6.0794 6.1256 6.1256 6.4037 6.4037 7.1077 7.1077 7.1773 7.1773 7.3130 7.3130 7.5186 7.5186 7.7899 7.7899 7.8203 7.8203 8.0435 8.0435 8.2271 8.2271 8.2300 8.2300 8.2400 8.2400 9.3149 9.3149 9.3496 9.3496 9.6547 9.6547 10.8165 10.8165 11.5550 11.5550 11.6167 11.6167 11.7753 11.7753 11.8156 11.8156 12.2257 12.2257 k = 0.0000 0.0349-0.0000 ( 5007 PWs) bands (ev): -1.2440 -1.2440 0.3976 0.3976 1.0146 1.0146 4.8542 4.8542 5.2453 5.2453 5.9887 5.9887 6.0781 6.0781 6.1283 6.1283 6.3925 6.3925 7.0923 7.0923 7.1820 7.1820 7.3130 7.3130 7.5174 7.5174 7.6742 7.6742 7.8155 7.8155 8.0451 8.0451 8.2203 8.2203 8.2363 8.2363 8.3145 8.3145 9.2927 9.2927 9.3486 9.3486 9.6943 9.6943 10.8487 10.8487 11.4583 11.4583 11.6181 11.6181 11.7549 11.7549 11.8122 11.8122 12.2118 12.2118 k = 0.0000 0.0465-0.0000 ( 5007 PWs) bands (ev): -1.2336 -1.2336 0.4062 0.4062 1.0244 1.0244 4.8634 4.8634 5.2470 5.2470 5.9876 5.9876 6.0765 6.0765 6.1321 6.1321 6.3759 6.3759 7.0743 7.0743 7.1834 7.1834 7.3086 7.3086 7.5096 7.5096 7.5679 7.5679 7.8124 7.8124 8.0463 8.0463 8.2103 8.2103 8.2317 8.2317 8.3882 8.3882 9.2638 9.2638 9.3492 9.3492 9.7456 9.7456 10.8928 10.8928 11.3512 11.3512 11.6199 11.6199 11.7241 11.7241 11.8107 11.8107 12.1873 12.1873 k = 0.0000 0.0581-0.0000 ( 4999 PWs) bands (ev): -1.2202 -1.2202 0.4174 0.4174 1.0368 1.0368 4.8753 4.8753 5.2491 5.2491 5.9861 5.9861 6.0746 6.0746 6.1368 6.1368 6.3532 6.3532 7.0526 7.0526 7.1786 7.1786 7.2897 7.2897 7.4559 7.4559 7.5296 7.5296 7.8086 7.8086 8.0457 8.0457 8.2002 8.2002 8.2254 8.2254 8.4497 8.4497 9.2314 9.2314 9.3504 9.3504 9.8065 9.8065 10.9478 10.9478 11.2398 11.2398 11.6211 11.6211 11.6860 11.6860 11.8103 11.8103 12.1558 12.1558 k = 0.0000 0.0698-0.0000 ( 4999 PWs) bands (ev): -1.2038 -1.2038 0.4309 0.4309 1.0520 1.0520 4.8897 4.8897 5.2514 5.2514 5.9840 5.9840 6.0726 6.0726 6.1422 6.1422 6.3231 6.3231 7.0231 7.0231 7.1581 7.1581 7.2487 7.2487 7.4126 7.4126 7.5263 7.5263 7.8041 7.8041 8.0415 8.0415 8.1923 8.1923 8.2174 8.2174 8.4984 8.4984 9.1986 9.1986 9.3514 9.3514 9.8747 9.8747 11.0122 11.0122 11.1277 11.1277 11.6116 11.6116 11.6524 11.6524 11.8105 11.8105 12.1196 12.1196 k = 0.0000 0.0814-0.0000 ( 4993 PWs) bands (ev): -1.1844 -1.1844 0.4470 0.4470 1.0699 1.0699 4.9067 4.9067 5.2537 5.2537 5.9812 5.9812 6.0705 6.0705 6.1481 6.1481 6.2841 6.2841 6.9743 6.9743 7.1136 7.1136 7.2183 7.2183 7.4021 7.4021 7.5260 7.5260 7.7986 7.7986 8.0317 8.0317 8.1888 8.1888 8.2078 8.2078 8.5337 8.5337 9.1685 9.1685 9.3519 9.3519 9.9483 9.9483 11.0120 11.0120 11.0893 11.0893 11.5686 11.5686 11.6476 11.6476 11.8110 11.8110 12.0802 12.0802 k = 0.0000 0.0930-0.0000 ( 4982 PWs) bands (ev): -1.1621 -1.1621 0.4654 0.4654 1.0904 1.0904 4.9262 4.9262 5.2561 5.2561 5.9775 5.9775 6.0684 6.0684 6.1537 6.1537 6.2346 6.2346 6.8972 6.8972 7.0738 7.0738 7.2041 7.2041 7.4045 7.4045 7.5262 7.5262 7.7923 7.7923 8.0150 8.0150 8.1899 8.1899 8.1976 8.1976 8.5544 8.5544 9.1444 9.1444 9.3514 9.3514 10.0255 10.0255 10.9019 10.9019 11.1697 11.1697 11.5099 11.5099 11.6553 11.6553 11.8116 11.8116 12.0392 12.0392 k = 0.0000 0.1047-0.0000 ( 4992 PWs) bands (ev): -1.1368 -1.1368 0.4863 0.4863 1.1135 1.1135 4.9481 4.9481 5.2580 5.2580 5.9722 5.9722 6.0662 6.0662 6.1491 6.1491 6.1826 6.1826 6.8064 6.8064 7.0484 7.0484 7.1938 7.1938 7.4112 7.4112 7.5268 7.5268 7.7851 7.7851 7.9920 7.9920 8.1808 8.1808 8.2015 8.2015 8.5600 8.5600 9.1293 9.1293 9.3498 9.3498 10.1048 10.1048 10.7925 10.7925 11.2577 11.2577 11.4448 11.4448 11.6673 11.6673 11.8121 11.8121 11.9983 11.9983 k = 0.0000 0.1163-0.0000 ( 4988 PWs) bands (ev): -1.1086 -1.1086 0.5095 0.5095 1.1391 1.1391 4.9725 4.9725 5.2593 5.2593 5.9632 5.9632 6.0609 6.0609 6.0885 6.0885 6.1767 6.1767 6.7183 6.7183 7.0305 7.0305 7.1838 7.1838 7.4196 7.4196 7.5273 7.5273 7.7771 7.7771 7.9641 7.9641 8.1652 8.1652 8.2150 8.2150 8.5503 8.5503 9.1254 9.1254 9.3468 9.3468 10.1850 10.1850 10.6851 10.6851 11.3507 11.3507 11.3755 11.3755 11.6829 11.6829 11.8125 11.8125 11.9587 11.9587 k = 0.0000 0.1279-0.0000 ( 4992 PWs) bands (ev): -1.0775 -1.0775 0.5352 0.5352 1.1672 1.1672 4.9992 4.9992 5.2597 5.2597 5.9362 5.9362 6.0048 6.0048 6.0665 6.0665 6.1841 6.1841 6.6400 6.6400 7.0163 7.0163 7.1731 7.1731 7.4282 7.4282 7.5278 7.5278 7.7682 7.7682 7.9324 7.9324 8.1473 8.1473 8.2328 8.2328 8.5269 8.5269 9.1328 9.1328 9.3423 9.3423 10.2653 10.2653 10.5801 10.5801 11.3025 11.3025 11.4475 11.4475 11.7019 11.7019 11.8125 11.8125 11.9219 11.9219 k = 0.0000 0.1395-0.0000 ( 4992 PWs) bands (ev): -1.0434 -1.0434 0.5631 0.5631 1.1976 1.1976 5.0281 5.0281 5.2588 5.2588 5.8480 5.8480 5.9723 5.9723 6.0649 6.0649 6.1931 6.1931 6.5730 6.5730 7.0045 7.0045 7.1612 7.1612 7.4362 7.4362 7.5282 7.5282 7.7584 7.7584 7.8982 7.8982 8.1273 8.1273 8.2540 8.2540 8.4924 8.4924 9.1505 9.1505 9.3363 9.3363 10.3453 10.3453 10.4776 10.4776 11.2272 11.2272 11.5455 11.5455 11.7243 11.7243 11.8122 11.8122 11.8892 11.8892 k = 0.0000 0.1512-0.0000 ( 4992 PWs) bands (ev): -1.0065 -1.0065 0.5935 0.5935 1.2303 1.2303 5.0593 5.0593 5.2561 5.2561 5.7260 5.7260 5.9591 5.9591 6.0645 6.0645 6.2027 6.2027 6.5161 6.5161 6.9941 6.9941 7.1482 7.1482 7.4431 7.4431 7.5283 7.5283 7.7476 7.7476 7.8622 7.8622 8.1056 8.1056 8.2780 8.2780 8.4499 8.4499 9.1766 9.1766 9.3290 9.3290 10.3778 10.3778 10.4248 10.4248 11.1501 11.1501 11.6423 11.6423 11.7504 11.7504 11.8116 11.8116 11.8619 11.8619 k = 0.0000 0.1628-0.0000 ( 4980 PWs) bands (ev): -0.9667 -0.9667 0.6261 0.6261 1.2651 1.2651 5.0926 5.0926 5.2508 5.2508 5.5917 5.5917 5.9479 5.9479 6.0647 6.0647 6.2128 6.2128 6.4677 6.4677 6.9849 6.9849 7.1340 7.1340 7.4480 7.4480 7.5280 7.5280 7.7361 7.7361 7.8251 7.8251 8.0825 8.0825 8.3043 8.3043 8.4024 8.4024 9.2094 9.2094 9.3205 9.3205 10.2809 10.2809 10.5035 10.5035 11.0717 11.0717 11.7311 11.7311 11.7822 11.7822 11.8121 11.8121 11.8418 11.8418 k = 0.0000 0.1744-0.0000 ( 4990 PWs) bands (ev): -0.9240 -0.9240 0.6610 0.6610 1.3020 1.3020 5.1279 5.1279 5.2416 5.2416 5.4513 5.4513 5.9361 5.9361 6.0654 6.0654 6.2229 6.2229 6.4263 6.4263 6.9764 6.9764 7.1186 7.1186 7.4503 7.4503 7.5273 7.5273 7.7236 7.7236 7.7875 7.7875 8.0587 8.0587 8.3314 8.3314 8.3533 8.3533 9.2470 9.2470 9.3116 9.3116 10.1869 10.1869 10.5815 10.5815 10.9925 10.9925 11.7794 11.7794 11.8093 11.8093 11.8359 11.8359 11.8473 11.8473 k = 0.0000 0.1860-0.0000 ( 4992 PWs) bands (ev): -0.8785 -0.8785 0.6981 0.6981 1.3408 1.3408 5.1651 5.1651 5.2218 5.2218 5.3138 5.3138 5.9231 5.9231 6.0666 6.0666 6.2327 6.2327 6.3915 6.3915 6.9684 6.9684 7.1020 7.1020 7.4489 7.4489 7.5261 7.5261 7.7105 7.7105 7.7499 7.7499 8.0347 8.0347 8.2995 8.2995 8.3641 8.3641 9.2836 9.2836 9.3075 9.3075 10.0959 10.0959 10.6585 10.6585 10.9133 10.9133 11.7856 11.7856 11.8096 11.8096 11.8580 11.8580 11.9241 11.9241 k = 0.0000 0.1977-0.0000 ( 4998 PWs) bands (ev): -0.8302 -0.8302 0.7374 0.7374 1.3814 1.3814 5.1344 5.1344 5.2040 5.2040 5.2374 5.2374 5.9085 5.9085 6.0682 6.0682 6.2410 6.2410 6.3636 6.3636 6.9606 6.9606 7.0843 7.0843 7.4429 7.4429 7.5242 7.5242 7.6963 7.6963 7.7135 7.7135 8.0115 8.0115 8.2489 8.2489 8.3957 8.3957 9.2855 9.2855 9.3413 9.3413 10.0078 10.0078 10.7331 10.7331 10.8358 10.8358 11.7820 11.7820 11.8093 11.8093 11.8942 11.8942 11.9932 11.9932 k = 0.0000 0.2093-0.0000 ( 5002 PWs) bands (ev): -0.7790 -0.7790 0.7789 0.7789 1.4235 1.4235 4.9902 4.9902 5.2120 5.2120 5.2446 5.2446 5.8922 5.8922 6.0702 6.0702 6.2463 6.2463 6.3440 6.3440 6.9529 6.9529 7.0656 7.0656 7.4313 7.4313 7.5213 7.5213 7.6724 7.6724 7.6875 7.6875 7.9899 7.9899 8.1998 8.1998 8.4288 8.4288 9.2760 9.2760 9.3898 9.3898 9.9229 9.9229 10.7465 10.7465 10.8190 10.8190 11.7754 11.7754 11.8145 11.8145 11.9356 11.9356 12.0453 12.0453 k = 0.0000 0.2209-0.0000 ( 4994 PWs) bands (ev): -0.7251 -0.7251 0.8224 0.8224 1.4671 1.4671 4.8395 4.8395 5.1880 5.1880 5.2866 5.2866 5.8738 5.8738 6.0725 6.0725 6.2470 6.2470 6.3345 6.3345 6.9448 6.9448 7.0461 7.0461 7.4135 7.4135 7.5169 7.5169 7.6379 7.6379 7.6735 7.6735 7.9707 7.9707 8.1535 8.1535 8.4627 8.4627 9.2663 9.2663 9.4419 9.4419 9.8411 9.8411 10.6715 10.6715 10.8898 10.8898 11.7656 11.7656 11.8270 11.8270 11.9801 11.9801 12.0739 12.0739 k = 0.0000 0.2326-0.0000 ( 4998 PWs) bands (ev): -0.6684 -0.6684 0.8681 0.8681 1.5118 1.5118 4.6875 4.6875 5.1604 5.1604 5.3297 5.3297 5.8534 5.8534 6.0753 6.0753 6.2429 6.2429 6.3351 6.3351 6.9361 6.9361 7.0261 7.0261 7.3895 7.3895 7.5099 7.5099 7.6039 7.6039 7.6610 7.6610 7.9545 7.9545 8.1111 8.1111 8.4971 8.4971 9.2576 9.2576 9.4964 9.4964 9.7625 9.7625 10.5942 10.5942 10.9620 10.9620 11.7525 11.7525 11.8472 11.8472 12.0266 12.0266 12.0754 12.0754 k = 0.0000 0.2442-0.0000 ( 4990 PWs) bands (ev): -0.6090 -0.6090 0.9157 0.9157 1.5574 1.5574 4.5354 4.5354 5.1286 5.1286 5.3736 5.3736 5.8309 5.8309 6.0785 6.0785 6.2371 6.2371 6.3427 6.3427 6.9263 6.9263 7.0059 7.0059 7.3597 7.3597 7.4989 7.4989 7.5727 7.5727 7.6487 7.6487 7.9419 7.9419 8.0736 8.0736 8.5314 8.5314 9.2508 9.2508 9.5527 9.5527 9.6872 9.6872 10.5175 10.5175 11.0315 11.0315 11.7359 11.7359 11.8748 11.8748 12.0454 12.0454 12.0810 12.0810 k = 0.0000 0.2558-0.0000 ( 4996 PWs) bands (ev): -0.5468 -0.5468 0.9653 0.9653 1.6036 1.6036 4.3840 4.3840 5.0924 5.0924 5.4179 5.4179 5.8063 5.8063 6.0822 6.0822 6.2323 6.2323 6.3544 6.3544 6.9147 6.9147 6.9862 6.9862 7.3251 7.3251 7.4816 7.4816 7.5460 7.5460 7.6358 7.6358 7.9330 7.9330 8.0418 8.0418 8.5651 8.5651 9.2468 9.2468 9.6037 9.6037 9.6218 9.6218 10.4419 10.4419 11.0961 11.0961 11.7157 11.7157 11.9094 11.9094 12.0038 12.0038 12.1308 12.1308 k = 0.0000 0.2674-0.0000 ( 4998 PWs) bands (ev): -0.4820 -0.4820 1.0167 1.0167 1.6500 1.6500 4.2337 4.2337 5.0520 5.0520 5.4616 5.4616 5.7802 5.7802 6.0867 6.0867 6.2298 6.2298 6.3685 6.3685 6.9008 6.9008 6.9676 6.9676 7.2869 7.2869 7.4571 7.4571 7.5250 7.5250 7.6215 7.6215 7.9277 7.9277 8.0165 8.0165 8.5973 8.5973 9.2466 9.2466 9.5444 9.5444 9.6707 9.6707 10.3679 10.3679 11.1523 11.1523 11.6914 11.6914 11.9503 11.9503 11.9540 11.9540 12.1840 12.1840 k = 0.0000 0.2791-0.0000 ( 5014 PWs) bands (ev): -0.4146 -0.4146 1.0699 1.0699 1.6963 1.6963 4.0848 4.0848 5.0081 5.0081 5.5029 5.5029 5.7540 5.7540 6.0920 6.0920 6.2301 6.2301 6.3842 6.3842 6.8838 6.8838 6.9508 6.9508 7.2463 7.2463 7.4273 7.4273 7.5078 7.5078 7.6053 7.6053 7.9257 7.9257 7.9981 7.9981 8.6274 8.6274 9.2510 9.2510 9.4786 9.4786 9.7294 9.7294 10.2955 10.2955 11.1953 11.1953 11.6627 11.6627 11.9087 11.9087 11.9977 11.9977 12.2387 12.2387 k = 0.0000 0.2907-0.0000 ( 5020 PWs) bands (ev): -0.3445 -0.3445 1.1248 1.1248 1.7419 1.7419 3.9376 3.9376 4.9611 4.9611 5.5377 5.5377 5.7315 5.7315 6.0984 6.0984 6.2332 6.2332 6.4010 6.4010 6.8637 6.8637 6.9359 6.9359 7.2046 7.2046 7.3949 7.3949 7.4919 7.4919 7.5869 7.5869 7.9268 7.9268 7.9868 7.9868 8.6544 8.6544 9.2610 9.2610 9.4158 9.4158 9.7876 9.7876 10.2251 10.2251 11.2190 11.2190 11.6295 11.6295 11.8803 11.8803 12.0500 12.0500 12.2945 12.2945 k = 0.0000 0.3023-0.0000 ( 5012 PWs) bands (ev): -0.2718 -0.2718 1.1813 1.1813 1.7862 1.7862 3.7927 3.7927 4.9120 4.9120 5.5568 5.5568 5.7215 5.7215 6.1057 6.1057 6.2386 6.2386 6.4186 6.4186 6.8411 6.8411 6.9225 6.9225 7.1628 7.1628 7.3616 7.3616 7.4760 7.4760 7.5666 7.5666 7.9306 7.9306 7.9821 7.9821 8.6778 8.6778 9.2776 9.2776 9.3562 9.3562 9.8439 9.8439 10.1568 10.1568 11.2193 11.2193 11.5915 11.5915 11.8767 11.8767 12.1065 12.1065 12.3510 12.3510 k = 0.0000 0.3140-0.0000 ( 5008 PWs) bands (ev): -0.1965 -0.1965 1.2393 1.2393 1.8287 1.8287 3.6501 3.6501 4.8616 4.8616 5.5497 5.5497 5.7342 5.7342 6.1140 6.1140 6.2462 6.2462 6.4370 6.4370 6.8167 6.8167 6.9101 6.9101 7.1220 7.1220 7.3281 7.3281 7.4595 7.4595 7.5448 7.5448 7.9367 7.9367 7.9832 7.9832 8.6971 8.6971 9.2994 9.2994 9.3014 9.3014 9.8967 9.8967 10.0908 10.0908 11.1982 11.1982 11.5484 11.5484 11.8995 11.8995 12.1661 12.1661 12.4080 12.4080 k = 0.0000 0.3256-0.0000 ( 5008 PWs) bands (ev): -0.1187 -0.1187 1.2987 1.2987 1.8684 1.8684 3.5106 3.5106 4.8108 4.8108 5.5199 5.5199 5.7658 5.7658 6.1233 6.1233 6.2554 6.2554 6.4559 6.4559 6.7910 6.7910 6.8980 6.8980 7.0829 7.0829 7.2947 7.2947 7.4424 7.4424 7.5220 7.5220 7.9451 7.9451 7.9891 7.9891 8.7122 8.7122 9.2461 9.2461 9.3321 9.3321 9.9439 9.9439 10.0274 10.0274 11.1635 11.1635 11.5003 11.5003 11.9439 11.9439 12.2274 12.2274 12.4651 12.4651 k = 0.0000 0.3372-0.0000 ( 5016 PWs) bands (ev): -0.0385 -0.0385 1.3594 1.3594 1.9043 1.9043 3.3744 3.3744 4.7608 4.7608 5.4772 5.4772 5.8064 5.8064 6.1333 6.1333 6.2661 6.2661 6.4753 6.4753 6.7646 6.7646 6.8861 6.8861 7.0463 7.0463 7.2618 7.2618 7.4245 7.4245 7.4990 7.4990 7.9556 7.9556 7.9988 7.9988 8.7234 8.7234 9.1957 9.1957 9.3701 9.3701 9.9655 9.9655 9.9844 9.9844 11.1252 11.1252 11.4470 11.4470 12.0033 12.0033 12.2885 12.2885 12.5221 12.5221 k = 0.0000 0.3488-0.0000 ( 5022 PWs) bands (ev): 0.0442 0.0442 1.4212 1.4212 1.9353 1.9353 3.2424 3.2424 4.7124 4.7124 5.4270 5.4270 5.8505 5.8505 6.1442 6.1442 6.2779 6.2779 6.4950 6.4950 6.7378 6.7378 6.8741 6.8741 7.0126 7.0126 7.2292 7.2292 7.4063 7.4063 7.4761 7.4761 7.9681 7.9681 8.0113 8.0113 8.7312 8.7312 9.1483 9.1483 9.4147 9.4147 9.9086 9.9086 10.0119 10.0119 11.0921 11.0921 11.3887 11.3887 12.0722 12.0722 12.3466 12.3466 12.5786 12.5786 k = 0.0000 0.3605-0.0000 ( 5022 PWs) bands (ev): 0.1293 0.1293 1.4839 1.4839 1.9598 1.9598 3.1154 3.1154 4.6669 4.6669 5.3716 5.3716 5.8957 5.8957 6.1557 6.1557 6.2904 6.2904 6.5148 6.5148 6.7112 6.7112 6.8620 6.8620 6.9823 6.9823 7.1972 7.1972 7.3881 7.3881 7.4536 7.4536 7.9824 7.9824 8.0258 8.0258 8.7363 8.7363 9.1040 9.1040 9.4654 9.4654 9.8542 9.8542 10.0264 10.0264 11.0711 11.0711 11.3257 11.3257 12.1467 12.1467 12.3984 12.3984 12.6343 12.6343 k = 0.0000 0.3721-0.0000 ( 5022 PWs) bands (ev): 0.2167 0.2167 1.5474 1.5474 1.9760 1.9760 2.9945 2.9945 4.6252 4.6252 5.3123 5.3123 5.9408 5.9408 6.1678 6.1678 6.3033 6.3033 6.5343 6.5343 6.6852 6.6852 6.8499 6.8499 6.9555 6.9555 7.1657 7.1657 7.3702 7.3702 7.4319 7.4319 7.9984 7.9984 8.0417 8.0417 8.7394 8.7394 9.0626 9.0626 9.5214 9.5214 9.8034 9.8034 10.0254 10.0254 11.0665 11.0665 11.2584 11.2584 12.2239 12.2239 12.4393 12.4393 12.6890 12.6890 k = 0.0000 0.3837-0.0000 ( 5030 PWs) bands (ev): 0.3064 0.3064 1.6114 1.6114 1.9816 1.9816 2.8813 2.8813 4.5885 4.5885 5.2501 5.2501 5.9850 5.9850 6.1804 6.1804 6.3162 6.3162 6.5527 6.5527 6.6609 6.6609 6.8379 6.8379 6.9320 6.9320 7.1347 7.1347 7.3528 7.3528 7.4109 7.4109 8.0157 8.0157 8.0583 8.0583 8.7413 8.7413 9.0242 9.0242 9.5820 9.5820 9.7567 9.7567 10.0089 10.0089 11.0796 11.0796 11.1877 11.1877 12.3020 12.3020 12.4638 12.4638 12.7425 12.7425 k = 0.0000 0.3953-0.0000 ( 5038 PWs) bands (ev): 0.3983 0.3983 1.6757 1.6757 1.9743 1.9743 2.7775 2.7775 4.5578 4.5578 5.1857 5.1857 6.0278 6.0278 6.1934 6.1934 6.3288 6.3288 6.5672 6.5672 6.6412 6.6412 6.8262 6.8262 6.9119 6.9119 7.1043 7.1043 7.3364 7.3364 7.3908 7.3908 8.0339 8.0339 8.0752 8.0752 8.7425 8.7425 8.9886 8.9886 9.6458 9.6458 9.7152 9.7152 9.9789 9.9789 11.0966 11.0966 11.1272 11.1272 12.3794 12.3794 12.4669 12.4669 12.7944 12.7944 k = 0.0000 0.4070-0.0000 ( 5028 PWs) bands (ev): 0.4923 0.4923 1.7400 1.7400 1.9517 1.9517 2.6848 2.6848 4.5339 4.5339 5.1200 5.1200 6.0685 6.0685 6.2067 6.2067 6.3409 6.3409 6.5702 6.5702 6.6337 6.6337 6.8153 6.8153 6.8948 6.8948 7.0745 7.0745 7.3214 7.3214 7.3718 7.3718 8.0528 8.0528 8.0919 8.0919 8.7435 8.7435 8.9559 8.9559 9.6726 9.6726 9.7192 9.7192 9.9388 9.9388 11.0302 11.0302 11.1624 11.1624 12.4436 12.4436 12.4573 12.4573 12.8445 12.8445 k = 0.0000 0.4186-0.0000 ( 5032 PWs) bands (ev): 0.5884 0.5884 1.8036 1.8036 1.9126 1.9126 2.6044 2.6044 4.5177 4.5177 5.0536 5.0536 6.1068 6.1068 6.2202 6.2202 6.3520 6.3520 6.5576 6.5576 6.6425 6.6425 6.8051 6.8051 6.8805 6.8805 7.0452 7.0452 7.3079 7.3079 7.3540 7.3540 8.0717 8.0717 8.1079 8.1079 8.7449 8.7449 8.9259 8.9259 9.6420 9.6420 9.7888 9.7888 9.8923 9.8923 10.9503 10.9503 11.2211 11.2211 12.4022 12.4022 12.5283 12.5283 12.8927 12.8927 k = 0.0000 0.4302-0.0000 ( 5032 PWs) bands (ev): 0.6863 0.6863 1.8469 1.8469 1.8762 1.8762 2.5356 2.5356 4.5098 4.5098 4.9874 4.9874 6.1422 6.1422 6.2335 6.2335 6.3622 6.3622 6.5377 6.5377 6.6593 6.6593 6.7960 6.7960 6.8690 6.8690 7.0168 7.0168 7.2963 7.2963 7.3373 7.3373 8.0901 8.0901 8.1228 8.1228 8.7469 8.7469 8.8986 8.8986 9.6155 9.6155 9.8404 9.8404 9.8652 9.8652 10.8677 10.8677 11.2903 11.2903 12.3410 12.3410 12.5976 12.5976 12.9388 12.9388 k = 0.0000 0.4419-0.0000 ( 5028 PWs) bands (ev): 0.7860 0.7860 1.7811 1.7811 1.9330 1.9330 2.4764 2.4764 4.5106 4.5106 4.9222 4.9222 6.1742 6.1742 6.2464 6.2464 6.3715 6.3715 6.5163 6.5163 6.6783 6.6783 6.7881 6.7881 6.8602 6.8602 6.9892 6.9892 7.2867 7.2867 7.3222 7.3222 8.1077 8.1077 8.1359 8.1359 8.7499 8.7499 8.8739 8.8739 9.5951 9.5951 9.7917 9.7917 9.9408 9.9408 10.7834 10.7834 11.3672 11.3672 12.2668 12.2668 12.6633 12.6633 12.9828 12.9828 k = 0.0000 0.4535-0.0000 ( 5024 PWs) bands (ev): 0.8873 0.8873 1.6977 1.6977 1.9943 1.9943 2.4235 2.4235 4.5202 4.5202 4.8588 4.8588 6.2023 6.2023 6.2580 6.2580 6.3801 6.3801 6.4950 6.4950 6.6975 6.6975 6.7811 6.7811 6.8546 6.8546 6.9626 6.9626 7.2794 7.2794 7.3087 7.3087 8.1237 8.1237 8.1470 8.1470 8.7541 8.7541 8.8517 8.8517 9.5815 9.5815 9.7437 9.7437 10.0199 10.0199 10.6980 10.6980 11.4500 11.4500 12.1839 12.1839 12.7253 12.7253 13.0246 13.0246 k = 0.0000 0.4651-0.0000 ( 5020 PWs) bands (ev): 0.9900 0.9900 1.6054 1.6054 2.0545 2.0545 2.3739 2.3739 4.5385 4.5385 4.7980 4.7980 6.2263 6.2263 6.2673 6.2673 6.3886 6.3886 6.4746 6.4746 6.7157 6.7157 6.7749 6.7749 6.8526 6.8526 6.9373 6.9373 7.2745 7.2745 7.2970 7.2970 8.1375 8.1375 8.1554 8.1554 8.7597 8.7597 8.8320 8.8320 9.5752 9.5752 9.6996 9.6996 10.1010 10.1010 10.6118 10.6118 11.5373 11.5373 12.0953 12.0953 12.7836 12.7836 13.0596 13.0599 k = 0.0000 0.4767-0.0000 ( 5018 PWs) bands (ev): 1.0936 1.0936 1.5073 1.5073 2.1129 2.1129 2.3249 2.3249 4.5650 4.5650 4.7408 4.7408 6.2458 6.2458 6.2732 6.2732 6.3980 6.3980 6.4555 6.4555 6.7318 6.7318 6.7690 6.7690 6.8550 6.8550 6.9138 6.9138 7.2721 7.2721 7.2874 7.2874 8.1488 8.1488 8.1609 8.1609 8.7669 8.7669 8.8147 8.8147 9.5766 9.5766 9.6608 9.6608 10.1838 10.1838 10.5253 10.5253 11.6278 11.6278 12.0032 12.0032 12.8387 12.8387 13.0257 13.0257 k = 0.0000 0.4884-0.0000 ( 5026 PWs) bands (ev): 1.1979 1.1979 1.4057 1.4057 2.1692 2.1692 2.2750 2.2750 4.5993 4.5993 4.6880 4.6880 6.2605 6.2605 6.2744 6.2744 6.4091 6.4091 6.4380 6.4380 6.7449 6.7449 6.7627 6.7627 6.8626 6.8626 6.8929 6.8929 7.2722 7.2722 7.2799 7.2799 8.1569 8.1569 8.1630 8.1630 8.7758 8.7758 8.7996 8.7996 9.5859 9.5859 9.6284 9.6284 10.2679 10.2679 10.4390 10.4390 11.7206 11.7206 11.9093 11.9093 12.8905 12.8905 12.9845 12.9845 k = 0.0000 0.5000-0.0000 ( 5028 PWs) bands (ev): 1.3021 1.3021 1.3021 1.3021 2.2232 2.2232 2.2232 2.2232 4.6406 4.6406 4.6406 4.6406 6.2701 6.2701 6.2701 6.2701 6.4224 6.4224 6.4224 6.4224 6.7550 6.7550 6.7550 6.7550 6.8754 6.8754 6.8754 6.8754 7.2748 7.2748 7.2748 7.2748 8.1617 8.1617 8.1617 8.1617 8.7867 8.7867 8.7867 8.7867 9.6033 9.6033 9.6033 9.6033 10.3531 10.3531 10.3531 10.3531 11.8147 11.8147 11.8147 11.8147 12.9392 12.9392 12.9392 12.9392 k = 0.0000 0.5000-0.0000 ( 5028 PWs) bands (ev): 1.3021 1.3021 1.3021 1.3021 2.2232 2.2232 2.2232 2.2232 4.6406 4.6406 4.6406 4.6406 6.2701 6.2701 6.2701 6.2701 6.4224 6.4224 6.4224 6.4224 6.7550 6.7550 6.7550 6.7550 6.8754 6.8754 6.8754 6.8754 7.2748 7.2748 7.2748 7.2748 8.1617 8.1617 8.1617 8.1617 8.7867 8.7867 8.7867 8.7867 9.6033 9.6033 9.6033 9.6033 10.3531 10.3531 10.3531 10.3531 11.8147 11.8147 11.8147 11.8147 12.9392 12.9392 12.9392 12.9392 k = 0.0116 0.5000-0.0000 ( 5028 PWs) bands (ev): 1.3031 1.3031 1.3033 1.3033 2.2239 2.2239 2.2239 2.2239 4.6412 4.6412 4.6415 4.6415 6.2643 6.2643 6.2765 6.2765 6.4153 6.4153 6.4301 6.4301 6.7534 6.7534 6.7562 6.7562 6.8744 6.8744 6.8761 6.8761 7.2750 7.2750 7.2754 7.2754 8.1588 8.1588 8.1644 8.1644 8.7819 8.7819 8.7839 8.7839 9.5995 9.5995 9.6040 9.6040 10.3406 10.3406 10.3449 10.3449 11.8216 11.8216 11.8288 11.8288 12.9377 12.9377 12.9419 12.9419 k = 0.0233 0.5000-0.0000 ( 5036 PWs) bands (ev): 1.3062 1.3062 1.3065 1.3065 2.2258 2.2258 2.2259 2.2259 4.6433 4.6433 4.6441 4.6441 6.2590 6.2590 6.2834 6.2834 6.4089 6.4089 6.4382 6.4382 6.7512 6.7512 6.7568 6.7568 6.8730 6.8730 6.8765 6.8765 7.2758 7.2758 7.2767 7.2767 8.1555 8.1555 8.1668 8.1668 8.7697 8.7697 8.7737 8.7737 9.5922 9.5922 9.6008 9.6008 10.3098 10.3098 10.3178 10.3178 11.8481 11.8481 11.8620 11.8620 12.9370 12.9370 12.9455 12.9455 k = 0.0349 0.5000-0.0000 ( 5028 PWs) bands (ev): 1.3113 1.3113 1.3118 1.3118 2.2291 2.2291 2.2292 2.2292 4.6470 4.6470 4.6481 4.6481 6.2545 6.2545 6.2907 6.2907 6.4033 6.4033 6.4468 6.4468 6.7484 6.7484 6.7569 6.7569 6.8713 6.8713 6.8767 6.8767 7.2772 7.2772 7.2786 7.2786 8.1520 8.1520 8.1689 8.1689 8.7505 8.7505 8.7565 8.7565 9.5795 9.5795 9.5919 9.5919 10.2658 10.2658 10.2763 10.2763 11.8908 11.8908 11.9105 11.9105 12.9366 12.9366 12.9494 12.9494 k = 0.0465 0.5000-0.0000 ( 5024 PWs) bands (ev): 1.3185 1.3185 1.3192 1.3192 2.2337 2.2337 2.2339 2.2339 4.6521 4.6521 4.6536 4.6536 6.2508 6.2508 6.2981 6.2981 6.3988 6.3988 6.4557 6.4557 6.7450 6.7450 6.7565 6.7565 6.8693 6.8693 6.8769 6.8769 7.2792 7.2792 7.2811 7.2811 8.1481 8.1481 8.1706 8.1706 8.7250 8.7250 8.7329 8.7329 9.5587 9.5587 9.5740 9.5740 10.2157 10.2157 10.2271 10.2271 11.9446 11.9446 11.9693 11.9693 12.9356 12.9356 12.9528 12.9528 k = 0.0581 0.5000-0.0000 ( 5020 PWs) bands (ev): 1.3277 1.3277 1.3286 1.3286 2.2396 2.2396 2.2398 2.2398 4.6586 4.6586 4.6604 4.6604 6.2480 6.2480 6.3056 6.3056 6.3956 6.3956 6.4648 6.4648 6.7408 6.7408 6.7556 6.7556 6.8672 6.8672 6.8771 6.8771 7.2816 7.2816 7.2839 7.2839 8.1438 8.1438 8.1718 8.1718 8.6937 8.6937 8.7035 8.7035 9.5267 9.5267 9.5438 9.5438 10.1669 10.1669 10.1774 10.1774 12.0049 12.0049 12.0336 12.0336 12.9331 12.9331 12.9547 12.9547 k = 0.0698 0.5000-0.0000 ( 5016 PWs) bands (ev): 1.3390 1.3390 1.3400 1.3400 2.2469 2.2469 2.2471 2.2471 4.6665 4.6665 4.6685 4.6685 6.2461 6.2461 6.3129 6.3129 6.3939 6.3939 6.4743 6.4743 6.7360 6.7360 6.7540 6.7540 6.8650 6.8650 6.8775 6.8775 7.2842 7.2842 7.2870 7.2870 8.1391 8.1391 8.1724 8.1724 8.6573 8.6573 8.6689 8.6689 9.4808 9.4808 9.4985 9.4985 10.1253 10.1253 10.1330 10.1330 12.0672 12.0672 12.0992 12.0992 12.9283 12.9283 12.9545 12.9545 k = 0.0814 0.5000-0.0000 ( 5012 PWs) bands (ev): 1.3522 1.3522 1.3533 1.3533 2.2555 2.2555 2.2557 2.2557 4.6755 4.6755 4.6778 4.6778 6.2453 6.2453 6.3199 6.3199 6.3941 6.3941 6.4840 6.4840 6.7305 6.7305 6.7518 6.7518 6.8629 6.8629 6.8781 6.8781 7.2869 7.2869 7.2902 7.2902 8.1338 8.1338 8.1723 8.1723 8.6164 8.6164 8.6293 8.6293 9.4202 9.4202 9.4376 9.4376 10.0940 10.0940 10.0976 10.0976 12.1282 12.1282 12.1627 12.1627 12.9209 12.9209 12.9516 12.9516 k = 0.0930 0.5000-0.0000 ( 5006 PWs) bands (ev): 1.3674 1.3674 1.3686 1.3686 2.2654 2.2654 2.2655 2.2655 4.6855 4.6855 4.6881 4.6881 6.2455 6.2455 6.3263 6.3263 6.3965 6.3965 6.4940 6.4940 6.7243 6.7243 6.7490 6.7490 6.8608 6.8608 6.8789 6.8789 7.2895 7.2895 7.2933 7.2933 8.1279 8.1279 8.1714 8.1714 8.5710 8.5710 8.5849 8.5849 9.3466 9.3466 9.3636 9.3636 10.0718 10.0718 10.0730 10.0730 12.1849 12.1849 12.2214 12.2214 12.9114 12.9114 12.9464 12.9464 k = 0.1047 0.5000-0.0000 ( 5014 PWs) bands (ev): 1.3845 1.3845 1.3858 1.3858 2.2766 2.2766 2.2767 2.2767 4.6965 4.6965 4.6993 4.6993 6.2470 6.2470 6.3320 6.3320 6.4012 6.4012 6.5042 6.5042 6.7175 6.7175 6.7455 6.7455 6.8589 6.8589 6.8799 6.8799 7.2918 7.2918 7.2960 7.2960 8.1213 8.1213 8.1694 8.1694 8.5211 8.5211 8.5351 8.5351 9.2640 9.2640 9.2811 9.2811 10.0540 10.0540 10.0601 10.0601 12.2351 12.2351 12.2728 12.2728 12.9007 12.9007 12.9394 12.9394 k = 0.1163 0.5000-0.0000 ( 5020 PWs) bands (ev): 1.4033 1.4033 1.4047 1.4047 2.2892 2.2892 2.2892 2.2892 4.7082 4.7082 4.7112 4.7112 6.2497 6.2497 6.3373 6.3373 6.4082 6.4082 6.5148 6.5148 6.7103 6.7103 6.7416 6.7416 6.8570 6.8570 6.8809 6.8809 7.2938 7.2938 7.2983 7.2983 8.1140 8.1140 8.1662 8.1662 8.4662 8.4662 8.4794 8.4794 9.1768 9.1768 9.1951 9.1951 10.0417 10.0417 10.0523 10.0523 12.2766 12.2766 12.3147 12.3147 12.8904 12.8904 12.9320 12.9320 k = 0.1279 0.5000-0.0000 ( 5028 PWs) bands (ev): 1.4240 1.4240 1.4255 1.4255 2.3030 2.3030 2.3031 2.3031 4.7204 4.7204 4.7235 4.7235 6.2537 6.2537 6.3426 6.3426 6.4172 6.4172 6.5256 6.5256 6.7027 6.7027 6.7372 6.7372 6.8550 6.8550 6.8819 6.8819 7.2953 7.2953 7.3001 7.3001 8.1057 8.1057 8.1614 8.1614 8.4057 8.4057 8.4168 8.4168 9.0897 9.0897 9.1102 9.1102 10.0326 10.0326 10.0473 10.0473 12.3076 12.3076 12.3448 12.3448 12.8828 12.8828 12.9260 12.9260 k = 0.1395 0.5000-0.0000 ( 5028 PWs) bands (ev): 1.4463 1.4463 1.4478 1.4478 2.3182 2.3182 2.3183 2.3183 4.7330 4.7330 4.7362 4.7362 6.2593 6.2593 6.3482 6.3482 6.4280 6.4280 6.5368 6.5368 6.6949 6.6949 6.7325 6.7325 6.8527 6.8527 6.8825 6.8825 7.2963 7.2963 7.3012 7.3012 8.0964 8.0964 8.1547 8.1547 8.3389 8.3389 8.3467 8.3467 9.0067 9.0067 9.0304 9.0304 10.0247 10.0247 10.0430 10.0430 12.3262 12.3262 12.3610 12.3610 12.8807 12.8807 12.9236 12.9236 k = 0.1512 0.5000-0.0000 ( 5028 PWs) bands (ev): 1.4702 1.4702 1.4717 1.4717 2.3347 2.3347 2.3350 2.3350 4.7457 4.7457 4.7489 4.7489 6.2664 6.2664 6.3544 6.3544 6.4403 6.4403 6.5483 6.5483 6.6870 6.6870 6.7276 6.7276 6.8498 6.8498 6.8824 6.8824 7.2967 7.2967 7.3016 7.3016 8.0853 8.0853 8.1446 8.1446 8.2665 8.2665 8.2691 8.2691 8.9309 8.9309 8.9584 8.9584 10.0165 10.0165 10.0381 10.0381 12.3312 12.3312 12.3621 12.3621 12.8862 12.8862 12.9267 12.9267 k = 0.1628 0.5000-0.0000 ( 5028 PWs) bands (ev): 1.4955 1.4955 1.4971 1.4971 2.3525 2.3525 2.3530 2.3530 4.7584 4.7584 4.7615 4.7615 6.2751 6.2751 6.3616 6.3616 6.4539 6.4539 6.5602 6.5602 6.6792 6.6792 6.7227 6.7227 6.8459 6.8459 6.8813 6.8813 7.2965 7.2965 7.3012 7.3012 8.0703 8.0703 8.1232 8.1232 8.1868 8.1868 8.1961 8.1961 8.8644 8.8644 8.8956 8.8956 10.0070 10.0070 10.0314 10.0314 12.3226 12.3226 12.3483 12.3483 12.9000 12.9000 12.9365 12.9365 k = 0.1744 0.5000-0.0000 ( 5024 PWs) bands (ev): 1.5223 1.5223 1.5238 1.5238 2.3717 2.3717 2.3724 2.3724 4.7708 4.7708 4.7738 4.7738 6.2854 6.2854 6.3699 6.3699 6.4687 6.4687 6.5722 6.5722 6.6717 6.6717 6.7178 6.7178 6.8406 6.8406 6.8788 6.8788 7.2959 7.2959 7.3001 7.3001 8.0378 8.0378 8.0641 8.0641 8.1146 8.1146 8.1553 8.1553 8.8079 8.8079 8.8422 8.8422 9.9953 9.9953 10.0222 10.0222 12.3017 12.3017 12.3218 12.3218 12.9214 12.9214 12.9529 12.9529 k = 0.1860 0.5000-0.0000 ( 5024 PWs) bands (ev): 1.5502 1.5502 1.5517 1.5517 2.3924 2.3924 2.3933 2.3933 4.7827 4.7827 4.7856 4.7856 6.2973 6.2973 6.3793 6.3793 6.4847 6.4847 6.5838 6.5838 6.6651 6.6651 6.7129 6.7129 6.8335 6.8335 6.8742 6.8742 7.2950 7.2950 7.2984 7.2984 7.9626 7.9626 7.9753 7.9753 8.0799 8.0799 8.1378 8.1378 8.7609 8.7609 8.7976 8.7976 9.9808 9.9808 10.0099 10.0099 12.2710 12.2710 12.2857 12.2857 12.9486 12.9486 12.9750 12.9750 k = 0.1977 0.5000-0.0000 ( 5020 PWs) bands (ev): 1.5793 1.5793 1.5806 1.5806 2.4145 2.4145 2.4157 2.4157 4.7940 4.7940 4.7967 4.7967 6.3108 6.3108 6.3898 6.3898 6.5018 6.5018 6.5940 6.5940 6.6604 6.6604 6.7078 6.7078 6.8242 6.8242 6.8669 6.8669 7.2938 7.2938 7.2963 7.2963 7.8662 7.8662 7.8778 7.8778 8.0637 8.0637 8.1251 8.1251 8.7224 8.7224 8.7604 8.7604 9.9631 9.9631 9.9940 9.9940 12.2335 12.2335 12.2432 12.2432 12.9796 12.9796 13.0011 13.0011 k = 0.2093 0.5000-0.0000 ( 5020 PWs) bands (ev): 1.6093 1.6093 1.6105 1.6105 2.4381 2.4381 2.4396 2.4396 4.8044 4.8044 4.8069 4.8069 6.3258 6.3258 6.4011 6.4011 6.5200 6.5200 6.6002 6.6002 6.6599 6.6599 6.7021 6.7021 6.8125 6.8125 6.8564 6.8564 7.2925 7.2925 7.2939 7.2939 7.7659 7.7659 7.7782 7.7782 8.0515 8.0515 8.1132 8.1132 8.6908 8.6908 8.7294 8.7294 9.9416 9.9416 9.9742 9.9742 12.1920 12.1920 12.1974 12.1974 13.0127 13.0127 13.0299 13.0299 k = 0.2209 0.5000-0.0000 ( 5028 PWs) bands (ev): 1.6400 1.6400 1.6411 1.6411 2.4632 2.4632 2.4652 2.4652 4.8139 4.8139 4.8161 4.8161 6.3421 6.3421 6.4128 6.4128 6.5392 6.5392 6.5990 6.5990 6.6662 6.6662 6.6945 6.6945 6.7988 6.7988 6.8421 6.8421 7.2912 7.2912 7.2914 7.2914 7.6673 7.6673 7.6800 7.6800 8.0405 8.0405 8.1016 8.1016 8.6650 8.6650 8.7034 8.7034 9.9162 9.9162 9.9503 9.9503 12.1491 12.1491 12.1507 12.1507 13.0466 13.0466 13.0599 13.0599 k = 0.2326 0.5000-0.0000 ( 5032 PWs) bands (ev): 1.6712 1.6712 1.6722 1.6722 2.4900 2.4900 2.4923 2.4923 4.8223 4.8223 4.8242 4.8242 6.3596 6.3596 6.4246 6.4246 6.5585 6.5585 6.5896 6.5896 6.6792 6.6792 6.6832 6.6832 6.7849 6.7849 6.8236 6.8236 7.2889 7.2889 7.2897 7.2897 7.5743 7.5743 7.5862 7.5862 8.0302 8.0302 8.0901 8.0901 8.6437 8.6437 8.6814 8.6814 9.8867 9.8867 9.9219 9.9219 12.1054 12.1054 12.1070 12.1070 13.0804 13.0804 13.0902 13.0902 k = 0.2442 0.5000-0.0000 ( 5034 PWs) bands (ev): 1.7029 1.7029 1.7036 1.7036 2.5185 2.5185 2.5212 2.5212 4.8295 4.8295 4.8310 4.8310 6.3779 6.3779 6.4356 6.4356 6.5722 6.5722 6.5745 6.5745 6.6677 6.6677 6.6967 6.6967 6.7740 6.7740 6.8017 6.8017 7.2865 7.2865 7.2874 7.2874 7.4905 7.4905 7.4996 7.4996 8.0202 8.0202 8.0785 8.0785 8.6258 8.6258 8.6624 8.6624 9.8528 9.8528 9.8890 9.8890 12.0631 12.0631 12.0677 12.0677 13.1133 13.1133 13.1201 13.1201 k = 0.2558 0.5000-0.0000 ( 5034 PWs) bands (ev): 1.7347 1.7347 1.7352 1.7352 2.5487 2.5487 2.5519 2.5519 4.8355 4.8355 4.8367 4.8367 6.3966 6.3966 6.4447 6.4447 6.5450 6.5450 6.5742 6.5742 6.6583 6.6583 6.7166 6.7166 6.7686 6.7686 6.7790 6.7790 7.2821 7.2821 7.2834 7.2834 7.4207 7.4207 7.4235 7.4235 8.0104 8.0104 8.0670 8.0670 8.6106 8.6106 8.6459 8.6459 9.8145 9.8145 9.8514 9.8514 12.0254 12.0254 12.0325 12.0325 13.1448 13.1448 13.1491 13.1491 k = 0.2674 0.5000-0.0000 ( 5030 PWs) bands (ev): 1.7663 1.7663 1.7666 1.7666 2.5808 2.5808 2.5844 2.5844 4.8403 4.8403 4.8411 4.8411 6.4148 6.4148 6.4487 6.4487 6.5055 6.5055 6.5441 6.5441 6.6702 6.6702 6.7334 6.7334 6.7636 6.7636 6.7692 6.7692 7.2686 7.2686 7.2763 7.2763 7.3624 7.3624 7.3717 7.3717 8.0006 8.0006 8.0555 8.0555 8.5974 8.5974 8.6312 8.6312 9.7718 9.7718 9.8091 9.8091 11.9933 11.9933 12.0028 12.0028 13.1745 13.1745 13.1766 13.1766 k = 0.2791 0.5000-0.0000 ( 5034 PWs) bands (ev): 1.7977 1.7977 1.7977 1.7977 2.6147 2.6147 2.6189 2.6189 4.8438 4.8438 4.8443 4.8443 6.4257 6.4257 6.4332 6.4332 6.4579 6.4579 6.5080 6.5080 6.6949 6.6949 6.7286 6.7286 6.7753 6.7753 6.7767 6.7767 7.2422 7.2422 7.2555 7.2555 7.3268 7.3268 7.3486 7.3486 7.9906 7.9906 8.0437 8.0437 8.5856 8.5856 8.6179 8.6179 9.7249 9.7249 9.7624 9.7624 11.9677 11.9677 11.9793 11.9793 13.2023 13.2023 13.2025 13.2025 k = 0.2907 0.5000-0.0000 ( 5038 PWs) bands (ev): 1.8283 1.8283 1.8286 1.8286 2.6505 2.6505 2.6552 2.6552 4.8461 4.8461 4.8464 4.8464 6.3744 6.3744 6.3769 6.3769 6.4572 6.4572 6.4971 6.4971 6.7179 6.7179 6.7227 6.7227 6.7874 6.7874 6.8040 6.8040 7.2104 7.2104 7.2202 7.2202 7.3170 7.3170 7.3430 7.3430 7.9804 7.9804 8.0317 8.0317 8.5748 8.5748 8.6056 8.6056 9.6740 9.6740 9.7114 9.7114 11.9492 11.9492 11.9629 11.9629 13.2266 13.2266 13.2280 13.2280 k = 0.3023 0.5000-0.0000 ( 5022 PWs) bands (ev): 1.8581 1.8581 1.8586 1.8586 2.6883 2.6883 2.6934 2.6934 4.8473 4.8473 4.8473 4.8473 6.2941 6.2941 6.2969 6.2969 6.4726 6.4726 6.4988 6.4988 6.7107 6.7107 6.7480 6.7480 6.8083 6.8083 6.8354 6.8354 7.1815 7.1815 7.1844 7.1844 7.3180 7.3180 7.3454 7.3454 7.9699 7.9699 8.0194 8.0194 8.5648 8.5648 8.5939 8.5939 9.6195 9.6195 9.6565 9.6565 11.9383 11.9383 11.9538 11.9538 13.2486 13.2486 13.2515 13.2515 k = 0.3140 0.5000-0.0000 ( 5026 PWs) bands (ev): 1.8870 1.8870 1.8877 1.8877 2.7280 2.7280 2.7336 2.7336 4.8473 4.8473 4.8475 4.8475 6.2042 6.2042 6.2066 6.2066 6.4875 6.4875 6.5028 6.5028 6.7071 6.7071 6.7673 6.7673 6.8394 6.8394 6.8694 6.8694 7.1532 7.1532 7.1582 7.1582 7.3232 7.3232 7.3516 7.3516 7.9588 7.9588 8.0065 8.0065 8.5550 8.5550 8.5826 8.5826 9.5618 9.5618 9.5983 9.5983 11.9351 11.9351 11.9523 11.9523 13.2685 13.2685 13.2727 13.2727 k = 0.3256 0.5000-0.0000 ( 5024 PWs) bands (ev): 1.9147 1.9147 1.9157 1.9157 2.7696 2.7696 2.7756 2.7756 4.8465 4.8465 4.8468 4.8468 6.1087 6.1087 6.1109 6.1109 6.5008 6.5008 6.5071 6.5071 6.7066 6.7066 6.7818 6.7818 6.8785 6.8785 6.9051 6.9051 7.1273 7.1273 7.1410 7.1410 7.3310 7.3310 7.3601 7.3601 7.9470 7.9470 7.9930 7.9930 8.5453 8.5453 8.5714 8.5714 9.5017 9.5017 9.5373 9.5373 11.9396 11.9396 11.9584 11.9584 13.2861 13.2861 13.2914 13.2914 k = 0.3372 0.5000-0.0000 ( 5028 PWs) bands (ev): 1.9411 1.9411 1.9422 1.9422 2.8129 2.8129 2.8193 2.8193 4.8449 4.8449 4.8452 4.8452 6.0102 6.0102 6.0124 6.0124 6.5111 6.5111 6.5123 6.5123 6.7082 6.7082 6.7934 6.7934 6.9222 6.9222 6.9413 6.9413 7.1066 7.1066 7.1303 7.1303 7.3408 7.3408 7.3702 7.3702 7.9346 7.9346 7.9789 7.9789 8.5353 8.5353 8.5599 8.5599 9.4398 9.4398 9.4742 9.4742 11.9517 11.9517 11.9719 11.9719 13.3011 13.3011 13.3075 13.3075 k = 0.3488 0.5000-0.0000 ( 5028 PWs) bands (ev): 1.9660 1.9660 1.9673 1.9673 2.8578 2.8578 2.8645 2.8645 4.8427 4.8427 4.8431 4.8431 5.9104 5.9104 5.9127 5.9127 6.5147 6.5147 6.5220 6.5220 6.7114 6.7114 6.8028 6.8028 6.9684 6.9684 6.9758 6.9758 7.0910 7.0910 7.1276 7.1276 7.3523 7.3523 7.3814 7.3814 7.9215 7.9215 7.9640 7.9640 8.5247 8.5247 8.5480 8.5480 9.3769 9.3769 9.4100 9.4100 11.9710 11.9710 11.9925 11.9925 13.3133 13.3133 13.3209 13.3209 k = 0.3605 0.5000-0.0000 ( 5028 PWs) bands (ev): 1.9893 1.9893 1.9908 1.9908 2.9040 2.9040 2.9110 2.9110 4.8401 4.8401 4.8404 4.8404 5.8110 5.8110 5.8135 5.8135 6.5180 6.5180 6.5298 6.5298 6.7156 6.7156 6.8100 6.8100 7.0051 7.0051 7.0146 7.0146 7.0820 7.0820 7.1358 7.1358 7.3654 7.3654 7.3937 7.3937 7.9076 7.9076 7.9482 7.9482 8.5133 8.5133 8.5352 8.5352 9.3140 9.3140 9.3454 9.3454 11.9971 11.9971 12.0198 12.0198 13.3226 13.3226 13.3313 13.3313 k = 0.3721 0.5000-0.0000 ( 5032 PWs) bands (ev): 2.0110 2.0110 2.0125 2.0125 2.9513 2.9513 2.9584 2.9584 4.8372 4.8372 4.8373 4.8373 5.7132 5.7132 5.7158 5.7158 6.5210 6.5210 6.5362 6.5362 6.7203 6.7203 6.8149 6.8149 7.0255 7.0255 7.0490 7.0490 7.0901 7.0901 7.1575 7.1575 7.3801 7.3801 7.4067 7.4067 7.8928 7.8928 7.9317 7.9317 8.5006 8.5006 8.5212 8.5212 9.2520 9.2520 9.2816 9.2816 12.0294 12.0294 12.0533 12.0533 13.3284 13.3284 13.3385 13.3385 k = 0.3837 0.5000-0.0000 ( 5040 PWs) bands (ev): 2.0309 2.0309 2.0324 2.0324 2.9991 2.9991 3.0062 3.0062 4.8340 4.8340 4.8341 4.8341 5.6181 5.6181 5.6207 5.6207 6.5239 6.5239 6.5411 6.5411 6.7250 6.7250 6.8171 6.8171 7.0377 7.0377 7.0561 7.0561 7.1300 7.1300 7.1913 7.1913 7.3964 7.3964 7.4205 7.4205 7.8774 7.8774 7.9143 7.9143 8.4862 8.4862 8.5056 8.5056 9.1921 9.1921 9.2196 9.2196 12.0675 12.0675 12.0922 12.0922 13.3306 13.3306 13.3421 13.3421 k = 0.3953 0.5000-0.0000 ( 5044 PWs) bands (ev): 2.0490 2.0490 2.0505 2.0505 3.0469 3.0469 3.0540 3.0540 4.8306 4.8306 4.8309 4.8309 5.5267 5.5267 5.5292 5.5292 6.5266 6.5266 6.5449 6.5449 6.7296 6.7296 6.8168 6.8168 7.0454 7.0454 7.0573 7.0573 7.1788 7.1788 7.2326 7.2326 7.4145 7.4145 7.4350 7.4350 7.8614 7.8614 7.8962 7.8962 8.4698 8.4698 8.4880 8.4880 9.1355 9.1355 9.1606 9.1606 12.1104 12.1104 12.1358 12.1358 13.3287 13.3287 13.3416 13.3416 k = 0.4070 0.5000-0.0000 ( 5044 PWs) bands (ev): 2.0652 2.0652 2.0667 2.0667 3.0941 3.0941 3.1011 3.1011 4.8272 4.8272 4.8279 4.8279 5.4400 5.4400 5.4424 5.4424 6.5292 6.5292 6.5477 6.5477 6.7339 6.7339 6.8145 6.8145 7.0514 7.0514 7.0595 7.0595 7.2280 7.2280 7.2773 7.2773 7.4347 7.4347 7.4503 7.4503 7.8448 7.8448 7.8774 7.8774 8.4509 8.4509 8.4681 8.4681 9.0831 9.0831 9.1057 9.1057 12.1573 12.1573 12.1832 12.1832 13.3223 13.3223 13.3369 13.3369 k = 0.4186 0.5000-0.0000 ( 5048 PWs) bands (ev): 2.0796 2.0796 2.0810 2.0810 3.1399 3.1399 3.1466 3.1466 4.8240 4.8240 4.8250 4.8250 5.3591 5.3591 5.3612 5.3612 6.5317 6.5317 6.5497 6.5497 6.7379 6.7379 6.8103 6.8103 7.0568 7.0568 7.0630 7.0630 7.2753 7.2753 7.3225 7.3225 7.4573 7.4573 7.4667 7.4667 7.8279 7.8279 7.8580 7.8580 8.4297 8.4297 8.4456 8.4456 9.0360 9.0360 9.0559 9.0559 12.2072 12.2072 12.2332 12.2332 13.3114 13.3114 13.3275 13.3275 k = 0.4302 0.5000-0.0000 ( 5040 PWs) bands (ev): 2.0920 2.0920 2.0933 2.0933 3.1834 3.1834 3.1896 3.1896 4.8210 4.8210 4.8224 4.8224 5.2851 5.2851 5.2868 5.2868 6.5343 6.5343 6.5509 6.5509 6.7417 6.7417 6.8050 6.8050 7.0622 7.0622 7.0673 7.0673 7.3190 7.3190 7.3655 7.3655 7.4828 7.4828 7.4850 7.4850 7.8108 7.8108 7.8381 7.8381 8.4062 8.4062 8.4209 8.4209 8.9952 8.9952 9.0122 9.0122 12.2588 12.2588 12.2843 12.2843 13.2961 13.2961 13.3134 13.3134 k = 0.4419 0.5000-0.0000 ( 5040 PWs) bands (ev): 2.1026 2.1026 2.1037 2.1037 3.2234 3.2234 3.2289 3.2289 4.8185 4.8185 4.8201 4.8201 5.2192 5.2192 5.2204 5.2204 6.5367 6.5367 6.5515 6.5515 6.7454 6.7454 6.7989 6.7989 7.0673 7.0673 7.0718 7.0718 7.3576 7.3576 7.4030 7.4030 7.5068 7.5068 7.5113 7.5113 7.7938 7.7938 7.8178 7.8178 8.3813 8.3813 8.3945 8.3945 8.9610 8.9610 8.9751 8.9751 12.3104 12.3104 12.3347 12.3347 13.2770 13.2770 13.2950 13.2950 k = 0.4535 0.5000-0.0000 ( 5040 PWs) bands (ev): 2.1113 2.1113 2.1122 2.1122 3.2587 3.2587 3.2634 3.2634 4.8164 4.8164 4.8183 4.8183 5.1626 5.1626 5.1633 5.1633 6.5391 6.5391 6.5516 6.5516 6.7493 6.7493 6.7924 6.7924 7.0722 7.0722 7.0760 7.0760 7.3900 7.3900 7.4317 7.4317 7.5337 7.5337 7.5422 7.5422 7.7769 7.7769 7.7971 7.7971 8.3564 8.3564 8.3677 8.3677 8.9338 8.9338 8.9450 8.9450 12.3600 12.3600 12.3822 12.3822 13.2557 13.2557 13.2732 13.2732 k = 0.4651 0.5000-0.0000 ( 5024 PWs) bands (ev): 2.1181 2.1181 2.1188 2.1188 3.2882 3.2882 3.2919 3.2919 4.8150 4.8150 4.8168 4.8168 5.1166 5.1166 5.1170 5.1170 6.5415 6.5415 6.5512 6.5512 6.7533 6.7533 6.7859 6.7859 7.0764 7.0764 7.0795 7.0795 7.4162 7.4162 7.4503 7.4503 7.5645 7.5645 7.5736 7.5736 7.7607 7.7607 7.7765 7.7765 8.3335 8.3335 8.3426 8.3426 8.9134 8.9134 8.9217 8.9217 12.4050 12.4050 12.4238 12.4238 13.2344 13.2344 13.2501 13.2501 k = 0.4767 0.5000-0.0000 ( 5024 PWs) bands (ev): 2.1229 2.1229 2.1234 2.1234 3.3105 3.3105 3.3131 3.3131 4.8141 4.8141 4.8156 4.8156 5.0826 5.0826 5.0827 5.0827 6.5437 6.5437 6.5503 6.5503 6.7577 6.7577 6.7795 6.7795 7.0798 7.0798 7.0820 7.0820 7.4364 7.4364 7.4603 7.4603 7.5953 7.5953 7.6024 7.6024 7.7455 7.7455 7.7564 7.7564 8.3150 8.3150 8.3215 8.3215 8.8996 8.8996 8.9050 8.9050 12.4423 12.4423 12.4562 12.4562 13.2166 13.2166 13.2285 13.2286 k = 0.4884 0.5000-0.0000 ( 5012 PWs) bands (ev): 2.1259 2.1259 2.1262 2.1262 3.3246 3.3246 3.3260 3.3260 4.8139 4.8139 4.8147 4.8147 5.0616 5.0616 5.0616 5.0616 6.5457 6.5457 6.5491 6.5491 6.7625 6.7625 6.7734 6.7734 7.0823 7.0823 7.0834 7.0834 7.4509 7.4509 7.4632 7.4632 7.6202 7.6202 7.6241 7.6241 7.7336 7.7336 7.7391 7.7391 8.3035 8.3035 8.3068 8.3068 8.8920 8.8920 8.8947 8.8947 12.4684 12.4684 12.4758 12.4758 13.2054 13.2054 13.2120 13.2120 k = 0.5000 0.5000-0.0000 ( 5008 PWs) bands (ev): 2.1270 2.1270 2.1270 2.1270 3.3299 3.3299 3.3299 3.3299 4.8141 4.8141 4.8141 4.8141 5.0545 5.0545 5.0545 5.0545 6.5476 6.5476 6.5476 6.5476 6.7677 6.7677 6.7677 6.7677 7.0835 7.0835 7.0835 7.0835 7.4600 7.4600 7.4600 7.4600 7.6317 7.6317 7.6317 7.6317 7.7300 7.7300 7.7300 7.7300 8.3005 8.3005 8.3005 8.3005 8.8904 8.8904 8.8904 8.8904 12.4801 12.4801 12.4801 12.4801 13.2037 13.2037 13.2037 13.2037 k = 0.5000 0.5000-0.0000 ( 5008 PWs) bands (ev): 2.1270 2.1270 2.1270 2.1270 3.3299 3.3299 3.3299 3.3299 4.8141 4.8141 4.8141 4.8141 5.0545 5.0545 5.0545 5.0545 6.5476 6.5476 6.5476 6.5476 6.7677 6.7677 6.7677 6.7677 7.0835 7.0835 7.0835 7.0835 7.4600 7.4600 7.4600 7.4600 7.6317 7.6317 7.6317 7.6317 7.7300 7.7300 7.7300 7.7300 8.3005 8.3005 8.3005 8.3005 8.8904 8.8904 8.8904 8.8904 12.4801 12.4801 12.4801 12.4801 13.2037 13.2037 13.2037 13.2037 k = 0.4917 0.4917-0.0000 ( 5018 PWs) bands (ev): 2.1246 2.1246 2.1275 2.1275 3.3191 3.3191 3.3313 3.3313 4.8132 4.8132 4.8155 4.8155 5.0552 5.0552 5.0684 5.0684 6.5456 6.5456 6.5492 6.5492 6.7624 6.7624 6.7735 6.7735 7.0822 7.0822 7.0834 7.0834 7.4504 7.4504 7.4638 7.4638 7.6091 7.6091 7.6368 7.6368 7.7261 7.7261 7.7447 7.7447 8.3020 8.3020 8.3086 8.3086 8.8900 8.8900 8.8967 8.8967 12.4650 12.4650 12.4788 12.4788 13.2009 13.2009 13.2167 13.2167 k = 0.4833 0.4833-0.0000 ( 5024 PWs) bands (ev): 2.1172 2.1172 2.1288 2.1288 3.2881 3.2881 3.3353 3.3353 4.8107 4.8107 4.8192 4.8192 5.0572 5.0572 5.1087 5.1087 6.5430 6.5430 6.5510 6.5510 6.7574 6.7574 6.7798 6.7798 7.0795 7.0795 7.0821 7.0821 7.4340 7.4340 7.4647 7.4647 7.5606 7.5606 7.6500 7.6500 7.7158 7.7158 7.7695 7.7695 8.3078 8.3078 8.3310 8.3310 8.8899 8.8899 8.9147 8.9147 12.4264 12.4264 12.4717 12.4717 13.1946 13.1946 13.2504 13.2504 k = 0.4750 0.4750-0.0000 ( 5028 PWs) bands (ev): 2.1048 2.1048 2.1311 2.1311 3.2396 3.2396 3.3421 3.3421 4.8072 4.8072 4.8254 4.8254 5.0606 5.0606 5.1724 5.1724 6.5395 6.5395 6.5532 6.5532 6.7526 6.7526 6.7868 6.7868 7.0755 7.0755 7.0797 7.0797 7.4124 7.4124 7.4631 7.4631 7.5026 7.5026 7.6665 7.6665 7.7010 7.7010 7.7914 7.7914 8.3174 8.3174 8.3665 8.3665 8.8897 8.8897 8.9433 8.9433 12.3702 12.3702 12.4601 12.4601 13.1840 13.1840 13.2985 13.2985 k = 0.4667 0.4667-0.0000 ( 5042 PWs) bands (ev): 2.0870 2.0870 2.1342 2.1342 3.1776 3.1776 3.3515 3.3515 4.8029 4.8029 4.8338 4.8338 5.0654 5.0654 5.2556 5.2556 6.5349 6.5349 6.5559 6.5559 6.7479 6.7479 6.7944 6.7944 7.0705 7.0705 7.0761 7.0761 7.3867 7.3867 7.4317 7.4317 7.4692 7.4692 7.6685 7.6685 7.6978 7.6978 7.8079 7.8079 8.3311 8.3311 8.4131 8.4131 8.8893 8.8893 8.9811 8.9811 12.3035 12.3035 12.4443 12.4443 13.1689 13.1689 13.3541 13.3541 k = 0.4583 0.4583-0.0000 ( 5042 PWs) bands (ev): 2.0634 2.0634 2.1380 2.1380 3.1061 3.1061 3.3636 3.3636 4.7982 4.7982 4.8447 4.8447 5.0716 5.0716 5.3541 5.3541 6.5292 6.5292 6.5594 6.5594 6.7429 6.7429 6.8026 6.8026 7.0644 7.0644 7.0712 7.0712 7.3460 7.3460 7.3790 7.3790 7.4666 7.4666 7.6460 7.6460 7.7159 7.7159 7.8195 7.8195 8.3486 8.3486 8.4686 8.4686 8.8890 8.8890 9.0262 9.0262 12.2322 12.2322 12.4248 12.4248 13.1491 13.1491 13.4116 13.4116 k = 0.4500 0.4500-0.0000 ( 5050 PWs) bands (ev): 2.0337 2.0337 2.1425 2.1425 3.0287 3.0287 3.3785 3.3785 4.7934 4.7934 4.8578 4.8578 5.0792 5.0792 5.4645 5.4645 6.5224 6.5224 6.5634 6.5634 6.7374 6.7374 6.8117 6.8117 7.0569 7.0569 7.0657 7.0657 7.2773 7.2773 7.3502 7.3502 7.4655 7.4655 7.6181 7.6181 7.7363 7.7363 7.8272 7.8272 8.3702 8.3702 8.5311 8.5311 8.8886 8.8886 9.0766 9.0766 12.1604 12.1604 12.4020 12.4020 13.1245 13.1245 13.4673 13.4673 k = 0.4417 0.4417-0.0000 ( 5046 PWs) bands (ev): 1.9972 1.9972 2.1476 2.1476 2.9483 2.9483 3.3960 3.3960 4.7889 4.7889 4.8732 4.8732 5.0882 5.0882 5.5836 5.5836 6.5146 6.5146 6.5681 6.5681 6.7312 6.7312 6.8217 6.8217 7.0469 7.0469 7.0606 7.0606 7.2009 7.2009 7.3287 7.3287 7.4644 7.4644 7.5885 7.5885 7.7559 7.7559 7.8320 7.8320 8.3956 8.3956 8.5989 8.5989 8.8883 8.8883 9.1302 9.1302 12.0916 12.0916 12.3765 12.3765 13.0951 13.0951 13.5182 13.5182 k = 0.4333 0.4333-0.0000 ( 5044 PWs) bands (ev): 1.9536 1.9536 2.1530 2.1530 2.8674 2.8674 3.4161 3.4161 4.7852 4.7852 4.8909 4.8909 5.0988 5.0988 5.7085 5.7085 6.5058 6.5058 6.5733 6.5733 6.7240 6.7240 6.8329 6.8329 7.0335 7.0335 7.0555 7.0555 7.1236 7.1236 7.3110 7.3110 7.4633 7.4633 7.5585 7.5585 7.7738 7.7738 7.8351 7.8351 8.4249 8.4249 8.6707 8.6707 8.8883 8.8883 9.1852 9.1852 12.0283 12.0283 12.3486 12.3486 13.0609 13.0609 13.5618 13.5618 k = 0.4250 0.4250-0.0000 ( 5048 PWs) bands (ev): 1.9026 1.9026 2.1586 2.1586 2.7875 2.7875 3.4390 3.4390 4.7825 4.7825 4.9109 4.9109 5.1109 5.1109 5.8365 5.8365 6.4962 6.4962 6.5788 6.5788 6.7156 6.7156 6.8457 6.8457 7.0160 7.0160 7.0277 7.0277 7.0705 7.0705 7.2968 7.2968 7.4620 7.4620 7.5295 7.5295 7.7896 7.7896 7.8372 7.8372 8.4578 8.4578 8.7451 8.7451 8.8892 8.8892 9.2394 9.2394 11.9730 11.9730 12.3189 12.3189 13.0222 13.0222 13.5960 13.5960 k = 0.4167 0.4167-0.0000 ( 5040 PWs) bands (ev): 1.8440 1.8440 2.1642 2.1642 2.7100 2.7100 3.4645 3.4645 4.7815 4.7815 4.9330 4.9330 5.1246 5.1246 5.9648 5.9648 6.4859 6.4859 6.5845 6.5845 6.7062 6.7062 6.8604 6.8604 6.9511 6.9511 6.9976 6.9976 7.0667 7.0667 7.2861 7.2861 7.4602 7.4602 7.5027 7.5027 7.8022 7.8022 7.8397 7.8397 8.4943 8.4943 8.8179 8.8179 8.8945 8.8945 9.2912 9.2912 11.9277 11.9277 12.2878 12.2878 12.9793 12.9793 13.6180 13.6180 k = 0.4083 0.4083-0.0000 ( 5038 PWs) bands (ev): 1.7781 1.7781 2.1697 2.1697 2.6354 2.6354 3.4927 3.4927 4.7824 4.7824 4.9574 4.9574 5.1399 5.1399 6.0897 6.0897 6.4753 6.4753 6.5895 6.5895 6.6959 6.6959 6.8655 6.8655 6.8837 6.8837 6.9751 6.9751 7.0715 7.0715 7.2787 7.2787 7.4568 7.4568 7.4808 7.4808 7.8105 7.8105 7.8443 7.8443 8.5341 8.5341 8.8647 8.8647 8.9284 8.9284 9.3390 9.3390 11.8942 11.8942 12.2555 12.2555 12.9324 12.9324 13.6259 13.6259 k = 0.4000 0.4000-0.0000 ( 5021 PWs) bands (ev): 1.7054 1.7054 2.1747 2.1747 2.5638 2.5638 3.5235 3.5235 4.7856 4.7856 4.9839 4.9839 5.1569 5.1569 6.2061 6.2061 6.4654 6.4654 6.5921 6.5921 6.6852 6.6852 6.7910 6.7910 6.9021 6.9021 6.9509 6.9509 7.0806 7.0806 7.2744 7.2744 7.4480 7.4480 7.4688 7.4688 7.8142 7.8142 7.8516 7.8516 8.5771 8.5771 8.8735 8.8735 9.0023 9.0023 9.3813 9.3813 11.8740 11.8740 12.2223 12.2223 12.8818 12.8818 13.6198 13.6198 k = 0.3917 0.3917-0.0000 ( 5023 PWs) bands (ev): 1.6266 1.6266 2.1791 2.1791 2.4952 2.4952 3.5570 3.5570 4.7916 4.7916 5.0125 5.0125 5.1756 5.1756 6.3053 6.3053 6.4596 6.4596 6.5868 6.5868 6.6727 6.6727 6.7235 6.7235 6.9218 6.9218 6.9331 6.9331 7.0936 7.0936 7.2733 7.2733 7.4373 7.4373 7.4655 7.4655 7.8148 7.8148 7.8606 7.8606 8.6230 8.6230 8.8747 8.8747 9.0856 9.0856 9.4172 9.4172 11.8680 11.8680 12.1885 12.1885 12.8281 12.8281 13.6026 13.6026 k = 0.3833 0.3833-0.0000 ( 5019 PWs) bands (ev): 1.5425 1.5425 2.1825 2.1825 2.4290 2.4290 3.5931 3.5931 4.8004 4.8004 5.0432 5.0432 5.1963 5.1963 6.3682 6.3682 6.4706 6.4706 6.5591 6.5591 6.6482 6.6482 6.6927 6.6927 6.8980 6.8980 6.9632 6.9632 7.1112 7.1112 7.2757 7.2757 7.4330 7.4330 7.4661 7.4661 7.8138 7.8138 7.8698 7.8698 8.6715 8.6715 8.8743 8.8743 9.1722 9.1722 9.4465 9.4465 11.8767 11.8767 12.1543 12.1543 12.7715 12.7715 13.5786 13.5786 k = 0.3750 0.3750-0.0000 ( 5031 PWs) bands (ev): 1.4543 1.4543 2.1848 2.1848 2.3646 2.3646 3.6318 3.6318 4.8123 4.8123 5.0759 5.0759 5.2188 5.2188 6.3812 6.3812 6.4939 6.4939 6.5142 6.5142 6.6272 6.6272 6.6925 6.6925 6.8722 6.8722 6.9970 6.9970 7.1330 7.1330 7.2828 7.2828 7.4381 7.4381 7.4731 7.4731 7.8123 7.8123 7.8789 7.8789 8.7226 8.7226 8.8733 8.8733 9.2606 9.2606 9.4693 9.4693 11.9000 11.9000 12.1198 12.1198 12.7124 12.7124 13.5517 13.5517 k = 0.3667 0.3667-0.0000 ( 5023 PWs) bands (ev): 1.3627 1.3627 2.1856 2.1856 2.3015 2.3015 3.6731 3.6731 4.8275 4.8275 5.1106 5.1106 5.2434 5.2434 6.3706 6.3706 6.4279 6.4279 6.5441 6.5441 6.6146 6.6146 6.7006 6.7006 6.8476 6.8476 7.0262 7.0262 7.1570 7.1570 7.2944 7.2944 7.4464 7.4464 7.5010 7.5010 7.8108 7.8108 7.8876 7.8876 8.7760 8.7760 8.8721 8.8721 9.3506 9.3506 9.4866 9.4866 11.9369 11.9369 12.0852 12.0852 12.6512 12.6512 13.5250 13.5250 k = 0.3583 0.3583-0.0000 ( 5021 PWs) bands (ev): 1.2687 1.2687 2.1846 2.1846 2.2394 2.2394 3.7170 3.7170 4.8459 4.8459 5.1471 5.1471 5.2701 5.2701 6.3408 6.3408 6.3670 6.3670 6.5614 6.5614 6.6083 6.6083 6.7092 6.7092 6.8261 6.8261 7.0473 7.0473 7.1795 7.1795 7.3074 7.3074 7.4502 7.4502 7.5632 7.5632 7.8098 7.8098 7.8958 7.8958 8.8314 8.8314 8.8710 8.8710 9.4414 9.4414 9.5003 9.5003 11.9856 11.9856 12.0508 12.0508 12.5882 12.5882 13.5010 13.5010 k = 0.3500 0.3500-0.0000 ( 5033 PWs) bands (ev): 1.1731 1.1731 2.1739 2.1739 2.1852 2.1852 3.7634 3.7634 4.8675 4.8675 5.1855 5.1855 5.2991 5.2991 6.2734 6.2734 6.3408 6.3408 6.5616 6.5616 6.6086 6.6086 6.7131 6.7131 6.8103 6.8103 7.0611 7.0611 7.1997 7.1997 7.3192 7.3192 7.4518 7.4518 7.6537 7.6537 7.8100 7.8100 7.9037 7.9037 8.8678 8.8678 8.8908 8.8908 9.5094 9.5094 9.5360 9.5360 12.0125 12.0125 12.0479 12.0479 12.5237 12.5237 13.4819 13.4819 k = 0.3417 0.3417-0.0000 ( 5037 PWs) bands (ev): 1.0766 1.0766 2.1145 2.1145 2.1776 2.1776 3.8125 3.8125 4.8922 4.8922 5.2256 5.2256 5.3304 5.3304 6.2019 6.2019 6.3181 6.3181 6.5532 6.5532 6.6094 6.6094 6.7095 6.7095 6.8029 6.8029 7.0705 7.0705 7.2194 7.2194 7.3297 7.3297 7.4532 7.4532 7.7586 7.7586 7.8143 7.8143 7.9115 7.9115 8.8668 8.8668 8.9498 8.9498 9.5230 9.5230 9.6278 9.6278 11.9786 11.9786 12.1127 12.1127 12.4582 12.4582 13.4698 13.4698 k = 0.3333 0.3333-0.0000 ( 5041 PWs) bands (ev): 0.9796 0.9796 2.0525 2.0525 2.1699 2.1699 3.8640 3.8640 4.9198 4.9198 5.2674 5.2674 5.3642 5.3642 6.1323 6.1323 6.2940 6.2940 6.5424 6.5424 6.6054 6.6054 6.6990 6.6990 6.8041 6.8041 7.0781 7.0781 7.2396 7.2396 7.3395 7.3395 7.4548 7.4548 7.8062 7.8062 7.8833 7.8833 7.9212 7.9212 8.8653 8.8653 9.0113 9.0113 9.5393 9.5393 9.7212 9.7212 11.9431 11.9431 12.1827 12.1827 12.3923 12.3923 13.4669 13.4669 k = 0.3250 0.3250-0.0000 ( 5057 PWs) bands (ev): 0.8827 0.8827 1.9901 1.9901 2.1598 2.1598 3.9181 3.9181 4.9501 4.9501 5.3107 5.3107 5.4007 5.4007 6.0654 6.0654 6.2682 6.2682 6.5312 6.5312 6.5955 6.5955 6.6850 6.6850 6.8116 6.8116 7.0858 7.0858 7.2603 7.2603 7.3487 7.3487 7.4572 7.4572 7.8119 7.8119 7.9233 7.9233 8.0042 8.0042 8.8636 8.8636 9.0747 9.0747 9.5628 9.5628 9.8151 9.8151 11.9070 11.9070 12.2502 12.2502 12.3290 12.3290 13.4758 13.4758 k = 0.3167 0.3167-0.0000 ( 5057 PWs) bands (ev): 0.7862 0.7862 1.9275 1.9275 2.1468 2.1468 3.9746 3.9746 4.9827 4.9827 5.3555 5.3555 5.4398 5.4398 6.0017 6.0017 6.2406 6.2406 6.5203 6.5203 6.5805 6.5805 6.6696 6.6696 6.8233 6.8233 7.0948 7.0948 7.2813 7.2813 7.3575 7.3575 7.4606 7.4606 7.8178 7.8178 7.9309 7.9309 8.1166 8.1166 8.8620 8.8620 9.1399 9.1399 9.5970 9.5970 9.9091 9.9091 11.8704 11.8704 12.2476 12.2476 12.3326 12.3326 13.4988 13.4988 k = 0.3083 0.3083-0.0000 ( 5043 PWs) bands (ev): 0.6906 0.6906 1.8645 1.8645 2.1309 2.1309 4.0336 4.0336 5.0174 5.0174 5.4017 5.4017 5.4818 5.4818 5.9413 5.9413 6.2111 6.2111 6.5099 6.5099 6.5618 6.5618 6.6537 6.6537 6.8383 6.8383 7.1057 7.1057 7.3021 7.3021 7.3660 7.3660 7.4654 7.4654 7.8259 7.8259 7.9380 7.9380 8.2212 8.2212 8.8605 8.8605 9.2068 9.2068 9.6452 9.6452 10.0030 10.0030 11.8330 11.8330 12.1827 12.1827 12.3924 12.3924 13.5381 13.5381 k = 0.3000 0.3000-0.0000 ( 5043 PWs) bands (ev): 0.5959 0.5959 1.8014 1.8014 2.1121 2.1121 4.0950 4.0950 5.0537 5.0537 5.4492 5.4492 5.5267 5.5267 5.8843 5.8843 6.1797 6.1797 6.4995 6.4995 6.5411 6.5411 6.6376 6.6376 6.8560 6.8560 7.1187 7.1187 7.3222 7.3222 7.3738 7.3738 7.4716 7.4716 7.8367 7.8367 7.9449 7.9449 8.3143 8.3143 8.8592 8.8592 9.2753 9.2753 9.7099 9.7099 10.0966 10.0966 11.7947 11.7947 12.1144 12.1144 12.4471 12.4471 13.5950 13.5950 k = 0.2917 0.2917-0.0000 ( 5039 PWs) bands (ev): 0.5026 0.5026 1.7382 1.7382 2.0902 2.0902 4.1589 4.1589 5.0912 5.0912 5.4978 5.4978 5.5745 5.5745 5.8311 5.8311 6.1466 6.1466 6.4884 6.4884 6.5201 6.5201 6.6220 6.6220 6.8759 6.8759 7.1335 7.1335 7.3412 7.3412 7.3809 7.3809 7.4793 7.4793 7.8506 7.8506 7.9520 7.9520 8.3943 8.3943 8.8580 8.8580 9.3454 9.3454 9.7925 9.7925 10.1894 10.1894 11.7552 11.7552 12.0453 12.0453 12.4933 12.4933 13.6691 13.6691 k = 0.2833 0.2833-0.0000 ( 5039 PWs) bands (ev): 0.4108 0.4108 1.6751 1.6751 2.0653 2.0653 4.2250 4.2250 5.1294 5.1294 5.5473 5.5473 5.6252 5.6252 5.7815 5.7815 6.1118 6.1118 6.4748 6.4748 6.5006 6.5006 6.6077 6.6077 6.8978 6.8978 7.1499 7.1499 7.3585 7.3585 7.3877 7.3877 7.4884 7.4884 7.8679 7.8679 7.9593 7.9593 8.4613 8.4613 8.8569 8.8569 9.4170 9.4170 9.8927 9.8927 10.2813 10.2813 11.7143 11.7143 11.9757 11.9757 12.5312 12.5312 13.7572 13.7573 k = 0.2750 0.2750-0.0000 ( 5035 PWs) bands (ev): 0.3206 0.3206 1.6122 1.6122 2.0375 2.0375 4.2935 4.2935 5.1678 5.1678 5.5975 5.5975 5.6778 5.6778 5.7367 5.7367 6.0758 6.0758 6.4571 6.4571 6.4845 6.4845 6.5956 6.5956 6.9217 6.9217 7.1675 7.1675 7.3737 7.3737 7.3946 7.3946 7.4986 7.4986 7.8887 7.8887 7.9672 7.9672 8.5171 8.5171 8.8561 8.8561 9.4901 9.4901 10.0087 10.0087 10.3717 10.3717 11.6716 11.6716 11.9058 11.9058 12.5622 12.5622 13.7143 13.7143 k = 0.2667 0.2667-0.0000 ( 5031 PWs) bands (ev): 0.2321 0.2321 1.5496 1.5496 2.0070 2.0070 4.3643 4.3643 5.2059 5.2059 5.6471 5.6471 5.6900 5.6900 5.7400 5.7400 6.0387 6.0387 6.4362 6.4362 6.4704 6.4704 6.5866 6.5866 6.9473 6.9473 7.1858 7.1858 7.3861 7.3861 7.4026 7.4026 7.5095 7.5095 7.9127 7.9127 7.9762 7.9762 8.5641 8.5641 8.8554 8.8554 9.5647 9.5647 10.1377 10.1377 10.4605 10.4605 11.6269 11.6269 11.8355 11.8355 12.5886 12.5886 13.6670 13.6670 k = 0.2583 0.2583-0.0000 ( 5027 PWs) bands (ev): 0.1456 0.1456 1.4875 1.4875 1.9738 1.9738 4.4373 4.4373 5.2429 5.2429 5.6478 5.6478 5.7027 5.7027 5.7983 5.7983 6.0014 6.0014 6.4141 6.4141 6.4563 6.4563 6.5814 6.5814 6.9745 6.9745 7.2043 7.2043 7.3956 7.3956 7.4121 7.4121 7.5210 7.5210 7.9383 7.9383 7.9877 7.9877 8.6054 8.6054 8.8550 8.8550 9.6406 9.6406 10.2762 10.2762 10.5472 10.5472 11.5798 11.5798 11.7649 11.7649 12.6130 12.6130 13.6229 13.6229 k = 0.2500 0.2500-0.0000 ( 5031 PWs) bands (ev): 0.0611 0.0611 1.4260 1.4260 1.9382 1.9382 4.5124 4.5124 5.2781 5.2781 5.6123 5.6123 5.7531 5.7531 5.8607 5.8607 5.9649 5.9649 6.3919 6.3919 6.4414 6.4414 6.5801 6.5801 7.0033 7.0033 7.2224 7.2224 7.4035 7.4035 7.4220 7.4220 7.5328 7.5328 7.9617 7.9617 8.0054 8.0054 8.6437 8.6437 8.8550 8.8550 9.7179 9.7179 10.4209 10.4209 10.6313 10.6313 11.5300 11.5300 11.6938 11.6938 12.6379 12.6379 13.5829 13.5829 k = 0.2417 0.2417-0.0000 ( 5035 PWs) bands (ev): -0.0212 -0.0212 1.3653 1.3653 1.9004 1.9004 4.5897 4.5897 5.3107 5.3107 5.5788 5.5788 5.8030 5.8030 5.9194 5.9194 5.9376 5.9376 6.3699 6.3699 6.4257 6.4257 6.5825 6.5825 7.0335 7.0335 7.2397 7.2397 7.4113 7.4113 7.4313 7.4313 7.5449 7.5449 7.9787 7.9787 8.0334 8.0334 8.6813 8.6813 8.8554 8.8554 9.7965 9.7965 10.5684 10.5684 10.7124 10.7124 11.4772 11.4772 11.6223 11.6223 12.6658 12.6658 13.5477 13.5477 k = 0.2333 0.2333-0.0000 ( 5023 PWs) bands (ev): -0.1014 -0.1014 1.3056 1.3056 1.8608 1.8608 4.6689 4.6689 5.3394 5.3394 5.5477 5.5477 5.8437 5.8437 5.9060 5.9060 5.9965 5.9965 6.3486 6.3486 6.4093 6.4093 6.5886 6.5886 7.0649 7.0649 7.2558 7.2558 7.4199 7.4199 7.4396 7.4396 7.5574 7.5574 7.9908 7.9908 8.0698 8.0698 8.7198 8.7198 8.8570 8.8570 9.8763 9.8763 10.7153 10.7153 10.7900 10.7900 11.4209 11.4209 11.5503 11.5503 12.6991 12.6991 13.5160 13.5169 k = 0.2250 0.2250-0.0000 ( 5017 PWs) bands (ev): -0.1793 -0.1793 1.2470 1.2470 1.8195 1.8195 4.7500 4.7500 5.3629 5.3629 5.5192 5.5192 5.8434 5.8434 5.9280 5.9280 6.0669 6.0669 6.3279 6.3279 6.3928 6.3928 6.5978 6.5978 7.0973 7.0973 7.2705 7.2705 7.4292 7.4292 7.4470 7.4470 7.5703 7.5703 8.0010 8.0010 8.1112 8.1112 8.7593 8.7593 8.8612 8.8612 9.9573 9.9573 10.8550 10.8550 10.8671 10.8671 11.3609 11.3609 11.4781 11.4781 12.7402 12.7402 13.4375 13.4375 k = 0.2167 0.2167-0.0000 ( 5023 PWs) bands (ev): -0.2549 -0.2549 1.1896 1.1896 1.7770 1.7770 4.8330 4.8330 5.3796 5.3796 5.4929 5.4929 5.8223 5.8223 5.9755 5.9755 6.1395 6.1395 6.3081 6.3081 6.3763 6.3763 6.6100 6.6100 7.1300 7.1300 7.2843 7.2843 7.4388 7.4388 7.4539 7.4539 7.5835 7.5835 8.0106 8.0106 8.1559 8.1559 8.7963 8.7963 8.8729 8.8729 10.0394 10.0394 10.9306 10.9306 10.9963 10.9963 11.2970 11.2970 11.4060 11.4060 12.7914 12.7914 13.3232 13.3232 k = 0.2083 0.2083-0.0000 ( 5027 PWs) bands (ev): -0.3280 -0.3280 1.1335 1.1335 1.7334 1.7334 4.9176 4.9176 5.3880 5.3880 5.4687 5.4687 5.8040 5.8040 6.0265 6.0265 6.2133 6.2133 6.2896 6.2896 6.3601 6.3601 6.6253 6.6253 7.1622 7.1622 7.2981 7.2981 7.4475 7.4475 7.4615 7.4615 7.5970 7.5970 8.0201 8.0201 8.2030 8.2030 8.8205 8.8205 8.9033 8.9033 10.1224 10.1224 10.9924 10.9924 11.1224 11.1224 11.2291 11.2291 11.3356 11.3356 12.8547 12.8547 13.2021 13.2021 k = 0.2000 0.2000-0.0000 ( 5029 PWs) bands (ev): -0.3987 -0.3987 1.0788 1.0788 1.6892 1.6892 5.0037 5.0037 5.3869 5.3869 5.4462 5.4462 5.7927 5.7927 6.0776 6.0776 6.2688 6.2688 6.2910 6.2910 6.3453 6.3453 6.6436 6.6436 7.1921 7.1921 7.3137 7.3137 7.4538 7.4538 7.4712 7.4712 7.6109 7.6109 8.0297 8.0297 8.2521 8.2521 8.8304 8.8304 8.9548 8.9548 10.2063 10.2063 11.0425 11.0425 11.1560 11.1560 11.2330 11.2330 11.2756 11.2756 12.9314 12.9314 13.0765 13.0765 k = 0.1917 0.1917-0.0000 ( 5017 PWs) bands (ev): -0.4668 -0.4668 1.0257 1.0257 1.6445 1.6445 5.0911 5.0911 5.3765 5.3765 5.4253 5.4253 5.7895 5.7895 6.1273 6.1273 6.2558 6.2558 6.3261 6.3261 6.3684 6.3684 6.6656 6.6656 7.2176 7.2176 7.3335 7.3335 7.4579 7.4579 7.4826 7.4826 7.6249 7.6249 8.0396 8.0396 8.3027 8.3027 8.8341 8.8341 9.0195 9.0195 10.2911 10.2911 11.0579 11.0579 11.0876 11.0876 11.2228 11.2228 11.3425 11.3425 12.9476 12.9476 13.0218 13.0218 k = 0.1833 0.1833-0.0000 ( 5025 PWs) bands (ev): -0.5324 -0.5324 0.9742 0.9742 1.5997 1.5997 5.1797 5.1797 5.3577 5.3577 5.4059 5.4059 5.7933 5.7933 6.1708 6.1708 6.2470 6.2470 6.3137 6.3137 6.4406 6.4406 6.6919 6.6919 7.2367 7.2367 7.3594 7.3594 7.4609 7.4609 7.4949 7.4949 7.6389 7.6389 8.0497 8.0497 8.3544 8.3544 8.8356 8.8356 9.0939 9.0939 10.3764 10.3764 10.9910 10.9910 11.0432 11.0432 11.2275 11.2275 11.4282 11.4282 12.8171 12.8171 13.1234 13.1234 k = 0.1750 0.1750-0.0000 ( 5017 PWs) bands (ev): -0.5954 -0.5954 0.9245 0.9245 1.5551 1.5551 5.2690 5.2690 5.3321 5.3321 5.3882 5.3882 5.8027 5.8027 6.1923 6.1923 6.2576 6.2576 6.3041 6.3041 6.5108 6.5108 6.7241 6.7241 7.2494 7.2494 7.3911 7.3911 7.4632 7.4632 7.5080 7.5080 7.6529 7.6529 8.0600 8.0600 8.4069 8.4069 8.8361 8.8361 9.1766 9.1766 10.4622 10.4622 10.9052 10.9052 10.9787 10.9787 11.2609 11.2609 11.5006 11.5006 12.6857 12.6857 13.2030 13.2030 k = 0.1667 0.1667-0.0000 ( 5009 PWs) bands (ev): -0.6557 -0.6557 0.8766 0.8766 1.5110 1.5110 5.3015 5.3015 5.3588 5.3588 5.3721 5.3721 5.8159 5.8159 6.1884 6.1884 6.2711 6.2711 6.3184 6.3184 6.5748 6.5748 6.7645 6.7645 7.2574 7.2574 7.4256 7.4256 7.4654 7.4654 7.5230 7.5230 7.6668 7.6668 8.0707 8.0707 8.4600 8.4600 8.8361 8.8361 9.2671 9.2671 10.5481 10.5481 10.8139 10.8139 10.9043 10.9043 11.3004 11.3004 11.5601 11.5601 12.5542 12.5542 13.1350 13.1350 k = 0.1583 0.1583-0.0000 ( 5009 PWs) bands (ev): -0.7133 -0.7133 0.8306 0.8306 1.4675 1.4675 5.2681 5.2681 5.3575 5.3575 5.4486 5.4486 5.8314 5.8314 6.1775 6.1775 6.2633 6.2633 6.3627 6.3627 6.6298 6.6298 6.8149 6.8149 7.2624 7.2624 7.4578 7.4578 7.4683 7.4683 7.5428 7.5428 7.6806 7.6806 8.0816 8.0816 8.5134 8.5134 8.8357 8.8357 9.3649 9.3649 10.6333 10.6333 10.7184 10.7184 10.8266 10.8266 11.3396 11.3396 11.6083 11.6083 12.4234 12.4234 13.0667 13.0667 k = 0.1500 0.1500-0.0000 ( 5005 PWs) bands (ev): -0.7681 -0.7681 0.7866 0.7866 1.4250 1.4250 5.2330 5.2330 5.3441 5.3441 5.5378 5.5378 5.8481 5.8481 6.1654 6.1654 6.2518 6.2518 6.4140 6.4140 6.6756 6.6756 6.8746 6.8746 7.2658 7.2658 7.4693 7.4693 7.4855 7.4855 7.5715 7.5715 7.6941 7.6941 8.0928 8.0928 8.5670 8.5670 8.8349 8.8349 9.4695 9.4695 10.6170 10.6170 10.7118 10.7118 10.7557 10.7557 11.3769 11.3769 11.6471 11.6471 12.2940 12.2940 12.9984 12.9984 k = 0.1417 0.1417-0.0000 ( 5001 PWs) bands (ev): -0.8202 -0.8202 0.7446 0.7446 1.3836 1.3836 5.1972 5.1972 5.3320 5.3320 5.6256 5.6256 5.8655 5.8655 6.1536 6.1536 6.2400 6.2400 6.4680 6.4680 6.7143 6.7143 6.9400 6.9400 7.2683 7.2683 7.4731 7.4731 7.5030 7.5030 7.6098 7.6098 7.7075 7.7075 8.1042 8.1042 8.6204 8.6204 8.8336 8.8336 9.5805 9.5805 10.5137 10.5137 10.6609 10.6609 10.8115 10.8115 11.4119 11.4119 11.6782 11.6782 12.1665 12.1665 12.9309 12.9309 k = 0.1333 0.1333-0.0000 ( 4999 PWs) bands (ev): -0.8695 -0.8695 0.7047 0.7047 1.3436 1.3436 5.1617 5.1617 5.3208 5.3208 5.7110 5.7110 5.8833 5.8833 6.1424 6.1424 6.2285 6.2285 6.5244 6.5244 6.7487 6.7487 7.0065 7.0065 7.2707 7.2707 7.4779 7.4779 7.5156 7.5156 7.6541 7.6541 7.7210 7.7210 8.1157 8.1157 8.6737 8.6737 8.8317 8.8317 9.6973 9.6973 10.4072 10.4072 10.5809 10.5809 10.8959 10.8959 11.4444 11.4444 11.7031 11.7031 12.0415 12.0415 12.8644 12.8644 k = 0.1250 0.1250-0.0000 ( 4995 PWs) bands (ev): -0.9159 -0.9159 0.6670 0.6670 1.3052 1.3052 5.1268 5.1268 5.3106 5.3106 5.7919 5.7919 5.9023 5.9023 6.1321 6.1321 6.2174 6.2174 6.5834 6.5834 6.7807 6.7807 7.0699 7.0699 7.2741 7.2741 7.4845 7.4845 7.5266 7.5266 7.6993 7.6993 7.7366 7.7366 8.1273 8.1273 8.7266 8.7266 8.8289 8.8289 9.8195 9.8195 10.2984 10.2984 10.5002 10.5002 10.9803 10.9803 11.4744 11.4744 11.7230 11.7230 11.9194 11.9194 12.7995 12.7995 k = 0.1167 0.1167-0.0000 ( 4995 PWs) bands (ev): -0.9595 -0.9595 0.6315 0.6315 1.2685 1.2685 5.0930 5.0930 5.3012 5.3012 5.8625 5.8625 5.9269 5.9269 6.1230 6.1230 6.2069 6.2069 6.6456 6.6456 6.8112 6.8112 7.1254 7.1254 7.2796 7.2796 7.4928 7.4928 7.5393 7.5393 7.7325 7.7325 7.7655 7.7655 8.1389 8.1389 8.7788 8.7788 8.8252 8.8252 9.9464 9.9464 10.1883 10.1883 10.4199 10.4199 11.0638 11.0638 11.5016 11.5016 11.7390 11.7390 11.8008 11.8008 12.7366 12.7366 k = 0.1083 0.1083-0.0000 ( 4999 PWs) bands (ev): -1.0002 -1.0002 0.5983 0.5983 1.2336 1.2336 5.0607 5.0607 5.2927 5.2927 5.9061 5.9061 5.9722 5.9722 6.1157 6.1157 6.1970 6.1970 6.7118 6.7118 6.8409 6.8409 7.1682 7.1682 7.2888 7.2888 7.5015 7.5015 7.5581 7.5581 7.7483 7.7483 7.8118 7.8118 8.1504 8.1504 8.8160 8.8160 8.8340 8.8340 10.0764 10.0764 10.0790 10.0790 10.3406 10.3406 11.1458 11.1458 11.5255 11.5255 11.6861 11.6861 11.7525 11.7525 12.6761 12.6761 k = 0.1000 0.1000-0.0000 ( 4999 PWs) bands (ev): -1.0380 -1.0380 0.5674 0.5674 1.2008 1.2008 5.0300 5.0300 5.2849 5.2849 5.9272 5.9272 6.0304 6.0304 6.1121 6.1121 6.1879 6.1879 6.7824 6.7824 6.8701 6.8701 7.1956 7.1956 7.3018 7.3018 7.5086 7.5086 7.5871 7.5871 7.7599 7.7599 7.8616 7.8616 8.1617 8.1617 8.8093 8.8093 8.8835 8.8835 9.9688 9.9688 10.2117 10.2117 10.2629 10.2629 11.2258 11.2258 11.5381 11.5381 11.5846 11.5846 11.7632 11.7632 12.6183 12.6183 k = 0.0917 0.0917-0.0000 ( 4999 PWs) bands (ev): -1.0729 -1.0729 0.5388 0.5388 1.1702 1.1702 5.0013 5.0013 5.2780 5.2780 5.9415 5.9415 6.0728 6.0728 6.1242 6.1242 6.1802 6.1802 6.8575 6.8575 6.8993 6.8993 7.2103 7.2103 7.3156 7.3156 7.5135 7.5135 7.6270 7.6270 7.7700 7.7700 7.9113 7.9113 8.1727 8.1727 8.7971 8.7971 8.9339 8.9339 9.8625 9.8625 10.1861 10.1861 10.3496 10.3496 11.3032 11.3032 11.4613 11.4613 11.5740 11.5740 11.7720 11.7720 12.5637 12.5637 k = 0.0833 0.0833-0.0000 ( 4997 PWs) bands (ev): -1.1047 -1.1047 0.5126 0.5126 1.1418 1.1418 4.9746 4.9746 5.2717 5.2717 5.9530 5.9530 6.0816 6.0816 6.1576 6.1576 6.1812 6.1812 6.9223 6.9223 6.9430 6.9430 7.2178 7.2178 7.3269 7.3269 7.5167 7.5167 7.6749 7.6749 7.7795 7.7795 7.9597 7.9597 8.1834 8.1834 8.7793 8.7793 8.9835 8.9835 9.7611 9.7611 10.1120 10.1120 10.4892 10.4892 11.3611 11.3611 11.3775 11.3775 11.5886 11.5886 11.7793 11.7793 12.5126 12.5126 k = 0.0750 0.0750-0.0000 ( 4983 PWs) bands (ev): -1.1336 -1.1336 0.4888 0.4888 1.1159 1.1159 4.9501 4.9501 5.2661 5.2661 5.9625 5.9625 6.0806 6.0806 6.1595 6.1595 6.2192 6.2192 6.9519 6.9519 7.0247 7.0247 7.2224 7.2224 7.3351 7.3351 7.5188 7.5188 7.7264 7.7264 7.7889 7.7889 8.0061 8.0061 8.1935 8.1935 8.7540 8.7540 9.0321 9.0321 9.6671 9.6671 10.0404 10.0404 10.6302 10.6302 11.2657 11.2657 11.4473 11.4473 11.6019 11.6019 11.7855 11.7855 12.4653 12.4653 k = 0.0667 0.0667-0.0000 ( 4989 PWs) bands (ev): -1.1595 -1.1595 0.4674 0.4674 1.0924 1.0924 4.9279 4.9279 5.2611 5.2611 5.9703 5.9703 6.0786 6.0786 6.1535 6.1535 6.2611 6.2611 6.9784 6.9784 7.1077 7.1077 7.2290 7.2290 7.3418 7.3418 7.5203 7.5203 7.7736 7.7736 7.8031 7.8031 8.0496 8.0496 8.2029 8.2029 8.7190 8.7190 9.0795 9.0795 9.5832 9.5832 9.9717 9.9717 10.7718 10.7718 11.1760 11.1760 11.5119 11.5119 11.6132 11.6132 11.7907 11.7907 12.4220 12.4220 k = 0.0583 0.0583-0.0000 ( 4991 PWs) bands (ev): -1.1824 -1.1824 0.4485 0.4485 1.0715 1.0715 4.9081 4.9081 5.2568 5.2568 5.9765 5.9765 6.0771 6.0771 6.1474 6.1474 6.2982 6.2982 7.0038 7.0038 7.1708 7.1708 7.2525 7.2525 7.3527 7.3527 7.5215 7.5215 7.7944 7.7944 7.8414 7.8414 8.0896 8.0896 8.2116 8.2116 8.6718 8.6718 9.1253 9.1253 9.5121 9.5121 9.9064 9.9064 10.9126 10.9126 11.0937 11.0937 11.5679 11.5679 11.6252 11.6252 11.7951 11.7951 12.3829 12.3829 k = 0.0500 0.0500-0.0000 ( 4987 PWs) bands (ev): -1.2023 -1.2023 0.4321 0.4321 1.0533 1.0533 4.8908 4.8908 5.2530 5.2530 5.9812 5.9812 6.0765 6.0765 6.1417 6.1417 6.3296 6.3296 7.0280 7.0280 7.1909 7.1909 7.2945 7.2945 7.3890 7.3890 7.5229 7.5229 7.8022 7.8022 7.8884 7.8884 8.1255 8.1255 8.2194 8.2194 8.6112 8.6112 9.1692 9.1692 9.4553 9.4553 9.8449 9.8449 11.0139 11.0139 11.0570 11.0570 11.6030 11.6030 11.6494 11.6494 11.7990 11.7990 12.3483 12.3483 k = 0.0417 0.0417-0.0000 ( 4987 PWs) bands (ev): -1.2192 -1.2192 0.4182 0.4182 1.0377 1.0377 4.8761 4.8761 5.2499 5.2499 5.9846 5.9846 6.0766 6.0766 6.1366 6.1366 6.3557 6.3557 7.0507 7.0507 7.1928 7.1928 7.3112 7.3112 7.4668 7.4668 7.5277 7.5277 7.8076 7.8076 7.9321 7.9321 8.1568 8.1568 8.2261 8.2261 8.5370 8.5370 9.2109 9.2109 9.4128 9.4128 9.7879 9.7879 10.9511 10.9511 11.1903 11.1903 11.6137 11.6137 11.6887 11.6887 11.8024 11.8024 12.3182 12.3182 k = 0.0333 0.0333-0.0000 ( 4995 PWs) bands (ev): -1.2329 -1.2329 0.4068 0.4068 1.0249 1.0249 4.8640 4.8640 5.2474 5.2474 5.9870 5.9870 6.0774 6.0774 6.1321 6.1321 6.3765 6.3765 7.0717 7.0717 7.1897 7.1897 7.3144 7.3144 7.5138 7.5138 7.5828 7.5828 7.8118 7.8118 7.9700 7.9700 8.1826 8.1826 8.2318 8.2318 8.4510 8.4510 9.2495 9.2495 9.3833 9.3833 9.7362 9.7362 10.8952 10.8952 11.3212 11.3212 11.6166 11.6166 11.7263 11.7263 11.8058 11.8058 12.2923 12.2923 k = 0.0250 0.0250-0.0000 ( 5007 PWs) bands (ev): -1.2437 -1.2437 0.3979 0.3979 1.0149 1.0149 4.8545 4.8545 5.2454 5.2454 5.9885 5.9885 6.0784 6.0784 6.1284 6.1284 6.3924 6.3924 7.0907 7.0907 7.1845 7.1845 7.3142 7.3142 7.5178 7.5178 7.6875 7.6875 7.8153 7.8153 8.0007 8.0007 8.2024 8.2024 8.2363 8.2363 8.3558 8.3558 9.2837 9.2837 9.3646 9.3646 9.6909 9.6909 10.8502 10.8502 11.4431 11.4431 11.6170 11.6170 11.7559 11.7559 11.8098 11.8098 12.2699 12.2699 k = 0.0167 0.0167-0.0000 ( 5003 PWs) bands (ev): -1.2513 -1.2513 0.3915 0.3915 1.0078 1.0078 4.8477 4.8477 5.2440 5.2440 5.9895 5.9895 6.0795 6.0795 6.1256 6.1256 6.4036 6.4036 7.1070 7.1070 7.1780 7.1780 7.3132 7.3132 7.5186 7.5186 7.7952 7.7952 7.8209 7.8209 8.0233 8.0233 8.2100 8.2100 8.2394 8.2394 8.2599 8.2599 9.3110 9.3110 9.3548 9.3548 9.6542 9.6542 10.8171 10.8171 11.5494 11.5494 11.6165 11.6165 11.7755 11.7755 11.8148 11.8148 12.2482 12.2482 k = 0.0083 0.0083-0.0000 ( 5011 PWs) bands (ev): -1.2559 -1.2559 0.3877 0.3877 1.0035 1.0035 4.8436 4.8436 5.2432 5.2432 5.9899 5.9899 6.0802 6.0802 6.1238 6.1238 6.4103 6.4103 7.1192 7.1192 7.1719 7.1719 7.3123 7.3123 7.5189 7.5189 7.8171 7.8171 7.9127 7.9127 8.0372 8.0372 8.1369 8.1369 8.2343 8.2343 8.2413 8.2413 9.3265 9.3265 9.3535 9.3535 9.6294 9.6294 10.7969 10.7969 11.6160 11.6160 11.6274 11.6274 11.7853 11.7853 11.8199 11.8199 12.2237 12.2237 k = 0.0000 0.0000 0.0000 ( 5015 PWs) bands (ev): -1.2575 -1.2575 0.3864 0.3864 1.0021 1.0021 4.8423 4.8423 5.2429 5.2429 5.9901 5.9901 6.0805 6.0805 6.1232 6.1232 6.4125 6.4125 7.1241 7.1241 7.1690 7.1690 7.3120 7.3120 7.5190 7.5190 7.8179 7.8179 8.0102 8.0102 8.0364 8.0364 8.0476 8.0476 8.2358 8.2358 8.2418 8.2418 9.3301 9.3301 9.3555 9.3555 9.6204 9.6204 10.7901 10.7901 11.6157 11.6157 11.6574 11.6574 11.7880 11.7880 11.8222 11.8222 12.2099 12.2099 k = 0.0000 0.0000 0.0000 ( 5015 PWs) bands (ev): -1.2575 -1.2575 0.3864 0.3864 1.0021 1.0021 4.8423 4.8423 5.2429 5.2429 5.9901 5.9901 6.0805 6.0805 6.1232 6.1232 6.4125 6.4125 7.1241 7.1241 7.1690 7.1690 7.3120 7.3120 7.5190 7.5190 7.8179 7.8179 8.0102 8.0102 8.0364 8.0364 8.0476 8.0476 8.2358 8.2358 8.2418 8.2418 9.3301 9.3301 9.3555 9.3555 9.6204 9.6204 10.7901 10.7901 11.6157 11.6157 11.6574 11.6574 11.7880 11.7880 11.8222 11.8222 12.2099 12.2099 k = 0.0000 0.0000 0.0115 ( 5003 PWs) bands (ev): -1.2565 -1.2565 0.3779 0.3779 1.0114 1.0114 4.8325 4.8325 5.2508 5.2508 5.9901 5.9901 6.0805 6.0805 6.1232 6.1232 6.4133 6.4133 7.1040 7.1040 7.1802 7.1802 7.3121 7.3121 7.5307 7.5307 7.8179 7.8179 7.9925 7.9925 8.0367 8.0367 8.0479 8.0479 8.2359 8.2359 8.2606 8.2606 9.3291 9.3291 9.3544 9.3544 9.6187 9.6187 10.7883 10.7883 11.6150 11.6150 11.6581 11.6581 11.7899 11.7899 11.8241 11.8241 12.2099 12.2099 k = 0.0000 0.0000 0.0229 ( 4995 PWs) bands (ev): -1.2537 -1.2537 0.3537 0.3537 1.0379 1.0379 4.8055 4.8055 5.2724 5.2724 5.9901 5.9901 6.0805 6.0805 6.1231 6.1231 6.4157 6.4157 7.0651 7.0651 7.1947 7.1947 7.3123 7.3123 7.5636 7.5636 7.8178 7.8178 7.9502 7.9502 8.0376 8.0376 8.0487 8.0487 8.2359 8.2359 8.3056 8.3056 9.3261 9.3261 9.3510 9.3510 9.6137 9.6137 10.7828 10.7828 11.6131 11.6131 11.6602 11.6602 11.7955 11.7955 11.8301 11.8301 12.2100 12.2100 k = 0.0000 0.0000 0.0344 ( 4999 PWs) bands (ev): -1.2490 -1.2490 0.3175 0.3175 1.0779 1.0779 4.7656 4.7656 5.3032 5.3032 5.9900 5.9900 6.0804 6.0804 6.1231 6.1231 6.4196 6.4196 7.0200 7.0200 7.2049 7.2049 7.3129 7.3129 7.6126 7.6126 7.8178 7.8178 7.8977 7.8977 8.0392 8.0392 8.0501 8.0501 8.2360 8.2360 8.3627 8.3627 9.3211 9.3211 9.3455 9.3455 9.6053 9.6053 10.7738 10.7738 11.6103 11.6103 11.6634 11.6634 11.8048 11.8048 11.8398 11.8398 12.2100 12.2100 k = 0.0000 0.0000 0.0459 ( 5003 PWs) bands (ev): -1.2426 -1.2426 0.2733 0.2733 1.1273 1.1273 4.7173 4.7173 5.3392 5.3392 5.9898 5.9898 6.0803 6.0803 6.1231 6.1231 6.4250 6.4250 6.9726 6.9726 7.2117 7.2117 7.3135 7.3135 7.6725 7.6725 7.8173 7.8173 7.8424 7.8424 8.0413 8.0413 8.0521 8.0521 8.2361 8.2361 8.4248 8.4248 9.3145 9.3145 9.3380 9.3380 9.5936 9.5936 10.7614 10.7614 11.6068 11.6068 11.6672 11.6672 11.8174 11.8174 11.8531 11.8531 12.2100 12.2100 k = 0.0000 0.0000 0.0573 ( 5011 PWs) bands (ev): -1.2345 -1.2345 0.2242 0.2242 1.1830 1.1830 4.6637 4.6637 5.3777 5.3777 5.9897 5.9897 6.0802 6.0802 6.1231 6.1231 6.4317 6.4317 6.9249 6.9249 7.2164 7.2164 7.3143 7.3143 7.7399 7.7399 7.7843 7.7843 7.8188 7.8188 8.0439 8.0439 8.0545 8.0545 8.2362 8.2362 8.4891 8.4891 9.3063 9.3063 9.3289 9.3289 9.5786 9.5786 10.7457 10.7457 11.6031 11.6031 11.6714 11.6714 11.8332 11.8332 11.8696 11.8696 12.2099 12.2099 k = 0.0000 0.0000 0.0688 ( 5018 PWs) bands (ev): -1.2248 -1.2248 0.1725 0.1725 1.2422 1.2422 4.6069 4.6069 5.4167 5.4167 5.9894 5.9894 6.0800 6.0800 6.1231 6.1231 6.4398 6.4398 6.8782 6.8782 7.2198 7.2198 7.3153 7.3153 7.7289 7.7289 7.8119 7.8119 7.8186 7.8186 8.0470 8.0470 8.0574 8.0574 8.2364 8.2364 8.5541 8.5541 9.2968 9.2968 9.3183 9.3183 9.5605 9.5605 10.7272 10.7272 11.5992 11.5992 11.6758 11.6758 11.8517 11.8517 11.8891 11.8891 12.2096 12.2096 k = 0.0000 0.0000 0.0803 ( 5006 PWs) bands (ev): -1.2137 -1.2137 0.1202 0.1202 1.3031 1.3031 4.5486 4.5486 5.4552 5.4552 5.9892 5.9892 6.0798 6.0798 6.1231 6.1231 6.4490 6.4490 6.8332 6.8332 7.2225 7.2225 7.3164 7.3164 7.6748 7.6748 7.8186 7.8186 7.8870 7.8870 8.0504 8.0504 8.0606 8.0606 8.2367 8.2367 8.6188 8.6188 9.2864 9.2864 9.3066 9.3066 9.5394 9.5394 10.7060 10.7060 11.5952 11.5952 11.6801 11.6801 11.8725 11.8725 11.9111 11.9111 12.2091 12.2091 k = 0.0000 0.0000 0.0917 ( 5014 PWs) bands (ev): -1.2014 -1.2014 0.0683 0.0683 1.3643 1.3643 4.4901 4.4901 5.4924 5.4924 5.9889 5.9889 6.0797 6.0797 6.1231 6.1231 6.4593 6.4593 6.7904 6.7904 7.2247 7.2247 7.3175 7.3175 7.6228 7.6228 7.8187 7.8187 7.9634 7.9634 8.0542 8.0542 8.0642 8.0642 8.2371 8.2371 8.6823 8.6823 9.2752 9.2752 9.2942 9.2942 9.5154 9.5154 10.6827 10.6827 11.5914 11.5914 11.6844 11.6844 11.8952 11.8952 11.9351 11.9351 12.2083 12.2083 k = 0.0000 0.0000 0.1032 ( 4998 PWs) bands (ev): -1.1881 -1.1881 0.0179 0.0179 1.4243 1.4243 4.4324 4.4324 5.5279 5.5279 5.9887 5.9887 6.0797 6.0797 6.1231 6.1231 6.4703 6.4703 6.7502 6.7502 7.2266 7.2266 7.3187 7.3187 7.5735 7.5735 7.8188 7.8188 8.0391 8.0391 8.0581 8.0581 8.0689 8.0689 8.2378 8.2378 8.7438 8.7438 9.2638 9.2638 9.2814 9.2814 9.4888 9.4888 10.6578 10.6578 11.5878 11.5878 11.6884 11.6884 11.9192 11.9192 11.9605 11.9605 12.2070 12.2070 k = 0.0000 0.0000 0.1147 ( 5002 PWs) bands (ev): -1.1742 -1.1742 -0.0302 -0.0302 1.4821 1.4821 4.3767 4.3767 5.5611 5.5611 5.9884 5.9884 6.0797 6.0797 6.1231 6.1231 6.4819 6.4819 6.7129 6.7129 7.2282 7.2282 7.3199 7.3199 7.5274 7.5274 7.8189 7.8189 8.0622 8.0622 8.0699 8.0699 8.1172 8.1172 8.2393 8.2393 8.8027 8.8027 9.2524 9.2524 9.2687 9.2687 9.4599 9.4599 10.6319 10.6319 11.5844 11.5844 11.6922 11.6922 11.9439 11.9439 11.9866 11.9866 12.2050 12.2050 k = 0.0000 0.0000 0.1261 ( 5002 PWs) bands (ev): -1.1601 -1.1601 -0.0752 -0.0752 1.5366 1.5366 4.3240 4.3240 5.5916 5.5916 5.9882 5.9882 6.0797 6.0797 6.1232 6.1232 6.4936 6.4936 6.6788 6.6788 7.2297 7.2297 7.3210 7.3210 7.4848 7.4848 7.8190 7.8190 8.0661 8.0661 8.0741 8.0741 8.1864 8.1864 8.2445 8.2445 8.8581 8.8581 9.2414 9.2414 9.2564 9.2564 9.4291 9.4291 10.6056 10.6056 11.5813 11.5813 11.6956 11.6956 11.9689 11.9689 12.0130 12.0130 12.2024 12.2024 k = 0.0000 0.0000 0.1376 ( 5002 PWs) bands (ev): -1.1461 -1.1461 -0.1163 -0.1163 1.5867 1.5867 4.2754 4.2754 5.6192 5.6192 5.9879 5.9879 6.0798 6.0798 6.1232 6.1232 6.5053 6.5053 6.6482 6.6482 7.2310 7.2310 7.3221 7.3221 7.4463 7.4463 7.8191 7.8191 8.0699 8.0699 8.0776 8.0776 8.2253 8.2253 8.2773 8.2773 8.9092 8.9092 9.2311 9.2311 9.2448 9.2448 9.3972 9.3972 10.5800 10.5800 11.5786 11.5786 11.6986 11.6986 11.9934 11.9934 12.0388 12.0388 12.1990 12.1990 k = 0.0000 0.0000 0.1491 ( 5002 PWs) bands (ev): -1.1329 -1.1329 -0.1528 -0.1528 1.6315 1.6315 4.2319 4.2319 5.6435 5.6435 5.9877 5.9877 6.0800 6.0800 6.1232 6.1232 6.5164 6.5164 6.6214 6.6214 7.2320 7.2320 7.3229 7.3229 7.4124 7.4124 7.8192 7.8192 8.0734 8.0734 8.0808 8.0808 8.2315 8.2315 8.3381 8.3381 8.9549 8.9549 9.2217 9.2217 9.2344 9.2344 9.3650 9.3650 10.5558 10.5558 11.5762 11.5762 11.7013 11.7013 12.0170 12.0170 12.0633 12.0633 12.1948 12.1948 k = 0.0000 0.0000 0.1605 ( 4994 PWs) bands (ev): -1.1209 -1.1209 -0.1841 -0.1841 1.6698 1.6698 4.1945 4.1945 5.6640 5.6640 5.9876 5.9876 6.0802 6.0802 6.1232 6.1232 6.5264 6.5264 6.5988 6.5988 7.2329 7.2329 7.3237 7.3237 7.3836 7.3836 7.8192 7.8192 8.0765 8.0765 8.0835 8.0835 8.2331 8.2331 8.3969 8.3969 8.9942 8.9942 9.2137 9.2137 9.2254 9.2254 9.3340 9.3340 10.5341 10.5341 11.5742 11.5742 11.7034 11.7034 12.0389 12.0389 12.0859 12.0859 12.1897 12.1897 k = 0.0000 0.0000 0.1720 ( 5002 PWs) bands (ev): -1.1107 -1.1107 -0.2093 -0.2093 1.7008 1.7008 4.1642 4.1642 5.6805 5.6805 5.9874 5.9874 6.0804 6.0804 6.1231 6.1231 6.5349 6.5349 6.5807 6.5807 7.2336 7.2336 7.3242 7.3242 7.3606 7.3606 7.8192 7.8192 8.0790 8.0790 8.0858 8.0858 8.2338 8.2338 8.4477 8.4477 9.0262 9.0262 9.2071 9.2071 9.2181 9.2181 9.3059 9.3059 10.5158 10.5158 11.5726 11.5726 11.7052 11.7052 12.0583 12.0583 12.1055 12.1055 12.1840 12.1840 k = 0.0000 0.0000 0.1835 ( 5010 PWs) bands (ev): -1.1029 -1.1029 -0.2279 -0.2279 1.7236 1.7236 4.1419 4.1419 5.6925 5.6925 5.9873 5.9873 6.0805 6.0805 6.1231 6.1231 6.5413 6.5413 6.5674 6.5674 7.2341 7.2341 7.3244 7.3244 7.3438 7.3438 7.8193 7.8193 8.0808 8.0808 8.0875 8.0875 8.2342 8.2342 8.4871 8.4871 9.0498 9.0498 9.2023 9.2023 9.2127 9.2127 9.2830 9.2830 10.5020 10.5020 11.5715 11.5715 11.7064 11.7064 12.0742 12.0742 12.1211 12.1211 12.1782 12.1782 k = 0.0000 0.0000 0.1949 ( 5018 PWs) bands (ev): -1.0980 -1.0980 -0.2393 -0.2393 1.7375 1.7375 4.1282 4.1282 5.6999 5.6999 5.9872 5.9872 6.0807 6.0807 6.1231 6.1231 6.5454 6.5454 6.5592 6.5592 7.2343 7.2343 7.3241 7.3241 7.3341 7.3341 7.8193 7.8193 8.0820 8.0820 8.0885 8.0885 8.2343 8.2343 8.5124 8.5124 9.0643 9.0643 9.1994 9.1994 9.2095 9.2095 9.2679 9.2679 10.4933 10.4933 11.5708 11.5708 11.7072 11.7072 12.0852 12.0852 12.1313 12.1313 12.1735 12.1735 k = 0.0000 0.0000 0.2064 ( 5014 PWs) bands (ev): -1.0963 -1.0963 -0.2432 -0.2432 1.7422 1.7422 4.1236 4.1236 5.7024 5.7024 5.9872 5.9872 6.0808 6.0808 6.1231 6.1231 6.5468 6.5468 6.5565 6.5565 7.2344 7.2344 7.3236 7.3236 7.3311 7.3311 7.8193 7.8193 8.0824 8.0824 8.0888 8.0888 8.2344 8.2344 8.5211 8.5211 9.0692 9.0692 9.1984 9.1984 9.2084 9.2084 9.2626 9.2626 10.4904 10.4904 11.5706 11.5706 11.7074 11.7074 12.0892 12.0892 12.1348 12.1348 12.1716 12.1716 k = 0.0000 0.0000 0.2064 ( 5014 PWs) bands (ev): -1.0963 -1.0963 -0.2432 -0.2432 1.7422 1.7422 4.1236 4.1236 5.7024 5.7024 5.9872 5.9872 6.0808 6.0808 6.1231 6.1231 6.5468 6.5468 6.5565 6.5565 7.2344 7.2344 7.3236 7.3236 7.3311 7.3311 7.8193 7.8193 8.0824 8.0824 8.0888 8.0888 8.2344 8.2344 8.5211 8.5211 9.0692 9.0692 9.1984 9.1984 9.2084 9.2084 9.2626 9.2626 10.4904 10.4904 11.5706 11.5706 11.7074 11.7074 12.0892 12.0892 12.1348 12.1348 12.1716 12.1716 k = 0.0000 0.0116 0.2064 ( 5016 PWs) bands (ev): -1.0949 -1.0949 -0.2417 -0.2417 1.7433 1.7433 4.1248 4.1248 5.7029 5.7029 5.9869 5.9869 6.0802 6.0802 6.1237 6.1237 6.5453 6.5453 6.5575 6.5575 7.2340 7.2340 7.3119 7.3119 7.3255 7.3255 7.8188 7.8188 8.0847 8.0847 8.0921 8.0921 8.2315 8.2315 8.5271 8.5271 9.0570 9.0570 9.1936 9.1936 9.2069 9.2069 9.2795 9.2795 10.4935 10.4935 11.5590 11.5590 11.6805 11.6805 12.0992 12.0992 12.1496 12.1496 12.1771 12.1771 k = 0.0000 0.0233 0.2064 ( 5010 PWs) bands (ev): -1.0906 -1.0906 -0.2372 -0.2372 1.7465 1.7465 4.1285 4.1285 5.7045 5.7045 5.9860 5.9860 6.0789 6.0789 6.1254 6.1254 6.5417 6.5417 6.5598 6.5598 7.2325 7.2325 7.2642 7.2642 7.3232 7.3232 7.8173 7.8173 8.0887 8.0887 8.1032 8.1032 8.2228 8.2228 8.5445 8.5445 9.0245 9.0245 9.1829 9.1829 9.2104 9.2104 9.3144 9.3144 10.5026 10.5026 11.5270 11.5270 11.6144 11.6144 12.1058 12.1058 12.1784 12.1784 12.2082 12.2082 k = 0.0000 0.0349 0.2064 ( 5006 PWs) bands (ev): -1.0834 -1.0834 -0.2298 -0.2298 1.7519 1.7519 4.1347 4.1347 5.7071 5.7071 5.9844 5.9844 6.0768 6.0768 6.1281 6.1281 6.5361 6.5361 6.5629 6.5629 7.1899 7.1899 7.2300 7.2300 7.3202 7.3202 7.8150 7.8150 8.0938 8.0938 8.1196 8.1196 8.2087 8.2087 8.5713 8.5713 8.9792 8.9792 9.1723 9.1723 9.2175 9.2175 9.3549 9.3549 10.5170 10.5170 11.4812 11.4812 11.5294 11.5294 12.1057 12.1057 12.1707 12.1707 12.2860 12.2860 k = 0.0000 0.0465 0.2064 ( 5010 PWs) bands (ev): -1.0734 -1.0734 -0.2195 -0.2195 1.7594 1.7594 4.1432 4.1432 5.7108 5.7108 5.9821 5.9821 6.0741 6.0741 6.1317 6.1317 6.5288 6.5288 6.5666 6.5666 7.0955 7.0955 7.2266 7.2266 7.3162 7.3162 7.8118 7.8118 8.1005 8.1005 8.1380 8.1380 8.1897 8.1897 8.6047 8.6047 8.9260 8.9260 9.1613 9.1613 9.2270 9.2270 9.3975 9.3975 10.5359 10.5359 11.4273 11.4273 11.4364 11.4364 12.1044 12.1044 12.1507 12.1507 12.3726 12.3726 k = 0.0000 0.0581 0.2064 ( 5010 PWs) bands (ev): -1.0605 -1.0605 -0.2062 -0.2062 1.7689 1.7689 4.1541 4.1541 5.7154 5.7154 5.9790 5.9790 6.0713 6.0713 6.1362 6.1362 6.5195 6.5195 6.5703 6.5703 6.9864 6.9864 7.2222 7.2222 7.3112 7.3112 7.8079 7.8079 8.1090 8.1090 8.1551 8.1551 8.1679 8.1679 8.6417 8.6417 8.8679 8.8679 9.1487 9.1487 9.2380 9.2380 9.4410 9.4410 10.5579 10.5579 11.3394 11.3394 11.3709 11.3709 12.1033 12.1033 12.1240 12.1240 12.4607 12.4607 k = 0.0000 0.0698 0.2064 ( 5008 PWs) bands (ev): -1.0447 -1.0447 -0.1899 -0.1899 1.7805 1.7805 4.1674 4.1674 5.7208 5.7208 5.9750 5.9750 6.0683 6.0683 6.1415 6.1415 6.5081 6.5081 6.5731 6.5731 6.8675 6.8675 7.2170 7.2170 7.3051 7.3051 7.8031 7.8031 8.1187 8.1187 8.1381 8.1381 8.1767 8.1767 8.6795 8.6795 8.8059 8.8059 9.1338 9.1338 9.2497 9.2497 9.4850 9.4850 10.5817 10.5817 11.2419 11.2419 11.3139 11.3139 12.0883 12.0883 12.1088 12.1088 12.5471 12.5471 k = 0.0000 0.0814 0.2064 ( 4996 PWs) bands (ev): -1.0261 -1.0261 -0.1708 -0.1708 1.7942 1.7942 4.1829 4.1829 5.7270 5.7270 5.9699 5.9699 6.0656 6.0656 6.1477 6.1477 6.4945 6.4945 6.5707 6.5707 6.7460 6.7460 7.2109 7.2109 7.2981 7.2981 7.7976 7.7976 8.1056 8.1056 8.1328 8.1328 8.1951 8.1951 8.7161 8.7161 8.7412 8.7412 9.1162 9.1162 9.2615 9.2615 9.5294 9.5294 10.6059 10.6059 11.1445 11.1445 11.2589 11.2589 12.0544 12.0544 12.1133 12.1133 12.6299 12.6299 k = 0.0000 0.0930 0.2064 ( 4998 PWs) bands (ev): -1.0046 -1.0046 -0.1487 -0.1487 1.8097 1.8097 4.2007 4.2007 5.7338 5.7338 5.9637 5.9637 6.0633 6.0633 6.1545 6.1545 6.4782 6.4782 6.5368 6.5368 6.6504 6.6504 7.2040 7.2040 7.2901 7.2901 7.7911 7.7911 8.0723 8.0723 8.1464 8.1464 8.2137 8.2137 8.6739 8.6739 8.7502 8.7502 9.0957 9.0957 9.2724 9.2724 9.5744 9.5744 10.6294 10.6294 11.0483 11.0483 11.2072 11.2072 12.0187 12.0187 12.1231 12.1231 12.7078 12.7078 k = 0.0000 0.1047 0.2064 ( 5008 PWs) bands (ev): -0.9803 -0.9803 -0.1238 -0.1238 1.8272 1.8272 4.2205 4.2205 5.7411 5.7411 5.9564 5.9564 6.0614 6.0614 6.1619 6.1619 6.4250 6.4250 6.4632 6.4632 6.6250 6.6250 7.1962 7.1962 7.2812 7.2812 7.7837 7.7837 8.0364 8.0364 8.1621 8.1621 8.2325 8.2325 8.6051 8.6051 8.7803 8.7803 9.0719 9.0719 9.2818 9.2818 9.6201 9.6201 10.6512 10.6512 10.9538 10.9538 11.1600 11.1600 11.9834 11.9834 12.1380 12.1380 12.7799 12.7799 k = 0.0000 0.1163 0.2064 ( 5006 PWs) bands (ev): -0.9531 -0.9531 -0.0961 -0.0961 1.8465 1.8465 4.2422 4.2422 5.7485 5.7485 5.9478 5.9478 6.0601 6.0601 6.1699 6.1699 6.2890 6.2890 6.4418 6.4418 6.6254 6.6254 7.1877 7.1877 7.2717 7.2717 7.7754 7.7754 7.9985 7.9985 8.1795 8.1795 8.2514 8.2514 8.5350 8.5350 8.8061 8.8061 9.0448 9.0448 9.2890 9.2890 9.6665 9.6665 10.6710 10.6710 10.8614 10.8614 11.1181 11.1181 11.9498 11.9498 12.1583 12.1583 12.8456 12.8456 k = 0.0000 0.1279 0.2064 ( 5002 PWs) bands (ev): -0.9231 -0.9231 -0.0655 -0.0655 1.8675 1.8675 4.2656 4.2656 5.7558 5.7558 5.9376 5.9376 6.0588 6.0588 6.1451 6.1451 6.1792 6.1792 6.4195 6.4195 6.6309 6.6309 7.1784 7.1784 7.2615 7.2615 7.7662 7.7662 7.9593 7.9593 8.1986 8.1986 8.2702 8.2702 8.4643 8.4643 8.8271 8.8271 9.0141 9.0141 9.2934 9.2934 9.7138 9.7138 10.6888 10.6888 10.7715 10.7715 11.0820 11.0820 11.9191 11.9191 12.1839 12.1839 12.9046 12.9046 k = 0.0000 0.1395 0.2064 ( 5004 PWs) bands (ev): -0.8903 -0.8903 -0.0322 -0.0322 1.8901 1.8901 4.2906 4.2906 5.7626 5.7626 5.9211 5.9211 6.0019 6.0019 6.0610 6.0610 6.1878 6.1878 6.3958 6.3958 6.6380 6.6380 7.1681 7.1681 7.2508 7.2508 7.7560 7.7560 7.9190 7.9190 8.2192 8.2192 8.2883 8.2883 8.3937 8.3937 8.8433 8.8433 8.9800 8.9800 9.2946 9.2946 9.7620 9.7620 10.6841 10.6841 10.7056 10.7056 11.0523 11.0523 11.8923 11.8923 12.2145 12.2145 12.9568 12.9568 k = 0.0000 0.1512 0.2064 ( 5004 PWs) bands (ev): -0.8547 -0.8547 0.0039 0.0039 1.9143 1.9143 4.3166 4.3166 5.7679 5.7679 5.8341 5.8341 5.9308 5.9308 6.0603 6.0603 6.1968 6.1968 6.3711 6.3711 6.6459 6.6459 7.1569 7.1569 7.2398 7.2398 7.7447 7.7447 7.8781 7.8781 8.2413 8.2413 8.3016 8.3016 8.3274 8.3274 8.8544 8.8544 8.9427 8.9427 9.2923 9.2923 9.8112 9.8112 10.6003 10.6003 10.7214 10.7214 11.0290 11.0290 11.8703 11.8703 12.2495 12.2495 13.0023 13.0023 k = 0.0000 0.1628 0.2064 ( 5014 PWs) bands (ev): -0.8163 -0.8163 0.0426 0.0426 1.9398 1.9398 4.3431 4.3431 5.6890 5.6890 5.7729 5.7729 5.9154 5.9154 6.0606 6.0606 6.2056 6.2056 6.3465 6.3465 6.6540 6.6540 7.1447 7.1447 7.2287 7.2287 7.7322 7.7322 7.8369 7.8369 8.2494 8.2494 8.2653 8.2653 8.3252 8.3252 8.8588 8.8588 8.9043 8.9043 9.2863 9.2863 9.8614 9.8614 10.5196 10.5196 10.7380 10.7380 11.0124 11.0124 11.8536 11.8536 12.2883 12.2883 13.0413 13.0413 k = 0.0000 0.1744 0.2064 ( 5000 PWs) bands (ev): -0.7751 -0.7751 0.0840 0.0840 1.9666 1.9666 4.3692 4.3692 5.5429 5.5429 5.7740 5.7740 5.9037 5.9037 6.0612 6.0612 6.2131 6.2131 6.3238 6.3238 6.6621 6.6621 7.1312 7.1312 7.2177 7.2177 7.7183 7.7183 7.7962 7.7962 8.1816 8.1816 8.2896 8.2896 8.3383 8.3383 8.8417 8.8417 8.8806 8.8806 9.2766 9.2766 9.9124 9.9124 10.4424 10.4424 10.7564 10.7564 11.0023 11.0023 11.8428 11.8428 12.3300 12.3300 13.0737 13.0737 k = 0.0000 0.1860 0.2064 ( 5000 PWs) bands (ev): -0.7312 -0.7312 0.1280 0.1280 1.9944 1.9944 4.3935 4.3935 5.3992 5.3992 5.7716 5.7716 5.8924 5.8924 6.0619 6.0619 6.2177 6.2177 6.3061 6.3061 6.6702 6.6702 7.1164 7.1164 7.2070 7.2070 7.7021 7.7021 7.7567 7.7567 8.1143 8.1143 8.3153 8.3153 8.3484 8.3484 8.7976 8.7976 8.8785 8.8785 9.2634 9.2634 9.9642 9.9642 10.3691 10.3691 10.7778 10.7778 10.9983 10.9983 11.8382 11.8382 12.3739 12.3739 13.0953 13.0953 k = 0.0000 0.1977 0.2064 ( 5004 PWs) bands (ev): -0.6844 -0.6844 0.1745 0.1745 2.0232 2.0232 4.4134 4.4134 5.2615 5.2615 5.7647 5.7647 5.8807 5.8807 6.0626 6.0626 6.2169 6.2169 6.2970 6.2970 6.6780 6.6780 7.1002 7.1002 7.1967 7.1967 7.6814 7.6814 7.7210 7.7210 8.0488 8.0488 8.3413 8.3413 8.3543 8.3543 8.7458 8.7458 8.8804 8.8804 9.2468 9.2468 10.0166 10.0166 10.2999 10.2999 10.8032 10.8032 11.0002 11.0002 11.8401 11.8401 12.4192 12.4192 13.0744 13.0744 k = 0.0000 0.2093 0.2064 ( 5012 PWs) bands (ev): -0.6350 -0.6350 0.2236 0.2236 2.0526 2.0526 4.4245 4.4245 5.1345 5.1345 5.7521 5.7521 5.8678 5.8678 6.0634 6.0634 6.2112 6.2112 6.2977 6.2977 6.6854 6.6854 7.0825 7.0825 7.1869 7.1869 7.6525 7.6525 7.6930 7.6930 7.9855 7.9855 8.3508 8.3508 8.3709 8.3709 8.6898 8.6898 8.8847 8.8847 9.2273 9.2273 10.0693 10.0693 10.2350 10.2350 10.8333 10.8333 11.0073 11.0073 11.8484 11.8484 12.4649 12.4649 13.0014 13.0014 k = 0.0000 0.2209 0.2064 ( 5012 PWs) bands (ev): -0.5828 -0.5828 0.2750 0.2750 2.0825 2.0825 4.4191 4.4191 5.0262 5.0262 5.7329 5.7329 5.8535 5.8535 6.0649 6.0649 6.2046 6.2046 6.3053 6.3053 6.6924 6.6924 7.0634 7.0634 7.1776 7.1776 7.6167 7.6167 7.6716 7.6716 7.9246 7.9246 8.3422 8.3422 8.3985 8.3985 8.6305 8.6305 8.8926 8.8926 9.2053 9.2053 10.1220 10.1220 10.1750 10.1750 10.8686 10.8686 11.0190 11.0190 11.8632 11.8632 12.5102 12.5102 12.9176 12.9176 k = 0.0000 0.2326 0.2064 ( 5024 PWs) bands (ev): -0.5279 -0.5279 0.3288 0.3288 2.1126 2.1126 4.3865 4.3865 4.9472 4.9472 5.7065 5.7065 5.8378 5.8378 6.0676 6.0676 6.2005 6.2005 6.3168 6.3168 6.6988 6.6988 7.0430 7.0430 7.1688 7.1688 7.5785 7.5785 7.6522 7.6522 7.8663 7.8663 8.3248 8.3248 8.4268 8.4268 8.5683 8.5683 8.9053 8.9053 9.1811 9.1811 10.1190 10.1190 10.1753 10.1753 10.9095 10.9095 11.0346 11.0346 11.8842 11.8842 12.5538 12.5538 12.8326 12.8326 k = 0.0000 0.2442 0.2064 ( 5024 PWs) bands (ev): -0.4702 -0.4702 0.3848 0.3848 2.1426 2.1426 4.3196 4.3196 4.9048 4.9048 5.6724 5.6724 5.8215 5.8215 6.0718 6.0718 6.2002 6.2002 6.3306 6.3306 6.7046 6.7046 7.0214 7.0214 7.1606 7.1606 7.5398 7.5398 7.6331 7.6331 7.8109 7.8109 8.2990 8.2990 8.4551 8.4551 8.5036 8.5036 8.9233 8.9233 9.1553 9.1553 10.0691 10.0691 10.2269 10.2269 10.9561 10.9561 11.0533 11.0533 11.9111 11.9111 12.5942 12.5942 12.7488 12.7488 k = 0.0000 0.2558 0.2064 ( 5016 PWs) bands (ev): -0.4099 -0.4099 0.4431 0.4431 2.1722 2.1722 4.2221 4.2221 4.8952 4.8952 5.6312 5.6312 5.8054 5.8054 6.0777 6.0777 6.2036 6.2036 6.3459 6.3459 6.7097 6.7097 6.9989 6.9989 7.1527 7.1527 7.5014 7.5014 7.6137 7.6137 7.7583 7.7583 8.2654 8.2654 8.4365 8.4365 8.4832 8.4832 8.9468 8.9468 9.1283 9.1283 10.0247 10.0247 10.2775 10.2775 11.0083 11.0083 11.0744 11.0744 11.9433 11.9433 12.6291 12.6291 12.6687 12.6687 k = 0.0000 0.2674 0.2064 ( 5020 PWs) bands (ev): -0.3470 -0.3470 0.5034 0.5034 2.2011 2.2011 4.1042 4.1042 4.9079 4.9079 5.5839 5.5839 5.7899 5.7899 6.0851 6.0851 6.2102 6.2102 6.3623 6.3623 6.7139 6.7139 6.9757 6.9757 7.1451 7.1451 7.4636 7.4636 7.5935 7.5935 7.7088 7.7088 8.2252 8.2252 8.3678 8.3678 8.5105 8.5105 8.9754 8.9754 9.1005 9.1005 9.9862 9.9862 10.3262 10.3262 11.0660 11.0660 11.0971 11.0971 11.9797 11.9797 12.5908 12.5908 12.6602 12.6602 k = 0.0000 0.2791 0.2064 ( 5006 PWs) bands (ev): -0.2814 -0.2814 0.5657 0.5657 2.2288 2.2288 3.9749 3.9749 4.9340 4.9340 5.5321 5.5321 5.7754 5.7754 6.0936 6.0936 6.2195 6.2195 6.3796 6.3796 6.7169 6.7169 6.9521 6.9521 7.1379 7.1379 7.4264 7.4264 7.5724 7.5724 7.6625 7.6625 8.1797 8.1797 8.2975 8.2975 8.5367 8.5367 9.0084 9.0084 9.0724 9.0724 9.9541 9.9541 10.3722 10.3722 11.1184 11.1184 11.1310 11.1310 12.0186 12.0186 12.5227 12.5227 12.6818 12.6818 k = 0.0000 0.2907 0.2064 ( 5010 PWs) bands (ev): -0.2131 -0.2131 0.6299 0.6299 2.2549 2.2549 3.8395 3.8395 4.9675 4.9675 5.4774 5.4774 5.7621 5.7621 6.1030 6.1030 6.2309 6.2309 6.3976 6.3976 6.7187 6.7187 6.9285 6.9285 7.1308 7.1308 7.3900 7.3900 7.5502 7.5502 7.6197 7.6197 8.1303 8.1303 8.2262 8.2262 8.5616 8.5616 9.0422 9.0422 9.0474 9.0474 9.9286 9.9286 10.4147 10.4147 11.1421 11.1421 11.1984 11.1984 12.0568 12.0568 12.4660 12.4660 12.6963 12.6963 k = 0.0000 0.3023 0.2064 ( 5006 PWs) bands (ev): -0.1423 -0.1423 0.6958 0.6958 2.2790 2.2790 3.7011 3.7011 5.0051 5.0051 5.4212 5.4212 5.7503 5.7503 6.1130 6.1130 6.2438 6.2438 6.4162 6.4162 6.7188 6.7188 6.9055 6.9055 7.1237 7.1237 7.3543 7.3543 7.5265 7.5265 7.5807 7.5807 8.0783 8.0783 8.1541 8.1541 8.5846 8.5846 9.0159 9.0159 9.0859 9.0859 9.9103 9.9103 10.4525 10.4525 11.1634 11.1634 11.2714 11.2714 12.0883 12.0883 12.4279 12.4279 12.7045 12.7045 k = 0.0000 0.3140 0.2064 ( 5000 PWs) bands (ev): -0.0688 -0.0688 0.7633 0.7633 2.3005 2.3005 3.5614 3.5614 5.0442 5.0442 5.3649 5.3649 5.7406 5.7406 6.1235 6.1235 6.2579 6.2579 6.4354 6.4354 6.7169 6.7169 6.8836 6.8836 7.1168 7.1168 7.3193 7.3193 7.5007 7.5007 7.5460 7.5460 8.0247 8.0247 8.0817 8.0817 8.6055 8.6055 8.9883 8.9883 9.1291 9.1291 9.8993 9.8993 10.4848 10.4848 11.1821 11.1821 11.3490 11.3490 12.1054 12.1054 12.4172 12.4172 12.7082 12.7082 k = 0.0000 0.3256 0.2064 ( 5000 PWs) bands (ev): 0.0072 0.0072 0.8323 0.8323 2.3190 2.3190 3.4216 3.4216 5.0829 5.0829 5.3096 5.3096 5.7336 5.7336 6.1345 6.1345 6.2726 6.2726 6.4550 6.4550 6.7123 6.7123 6.8637 6.8637 7.1096 7.1096 7.2851 7.2851 7.4729 7.4729 7.5157 7.5157 7.9705 7.9705 8.0096 8.0096 8.6240 8.6240 8.9615 8.9615 9.1748 9.1748 9.8958 9.8958 10.5102 10.5102 11.1970 11.1970 11.4306 11.4306 12.1044 12.1044 12.4381 12.4381 12.7086 12.7086 k = 0.0000 0.3372 0.2064 ( 4998 PWs) bands (ev): 0.0857 0.0857 0.9026 0.9026 2.3338 2.3338 3.2823 3.2823 5.1190 5.1190 5.2568 5.2568 5.7305 5.7305 6.1459 6.1459 6.2876 6.2876 6.4749 6.4749 6.7045 6.7045 6.8466 6.8466 7.1022 7.1022 7.2517 7.2517 7.4441 7.4441 7.4889 7.4889 7.9161 7.9161 7.9385 7.9385 8.6399 8.6399 8.9355 8.9355 9.2226 9.2226 9.9001 9.9001 10.5278 10.5278 11.2069 11.2069 11.5158 11.5158 12.0920 12.0920 12.4846 12.4846 12.7071 12.7071 k = 0.0000 0.3488 0.2064 ( 4994 PWs) bands (ev): 0.1667 0.1667 0.9740 0.9740 2.3445 2.3445 3.1440 3.1440 5.1499 5.1499 5.2083 5.2083 5.7324 5.7324 6.1577 6.1577 6.3025 6.3025 6.4949 6.4949 6.6932 6.6932 6.8328 6.8328 7.0945 7.0945 7.2190 7.2190 7.4155 7.4155 7.4643 7.4643 7.8596 7.8596 7.8719 7.8719 8.6533 8.6533 8.9105 8.9105 9.2723 9.2723 9.9121 9.9121 10.5367 10.5367 11.2105 11.2105 11.6043 11.6043 12.0775 12.0775 12.5471 12.5471 12.7042 12.7042 k = 0.0000 0.3605 0.2064 ( 5004 PWs) bands (ev): 0.2503 0.2503 1.0462 1.0462 2.3504 2.3504 3.0072 3.0072 5.1534 5.1534 5.1852 5.1852 5.7407 5.7407 6.1698 6.1698 6.3168 6.3168 6.5147 6.5147 6.6788 6.6788 6.8225 6.8225 7.0860 7.0860 7.1872 7.1872 7.3882 7.3882 7.4410 7.4410 7.7950 7.7950 7.8167 7.8167 8.6642 8.6642 8.8868 8.8868 9.3237 9.3237 9.9315 9.9315 10.5363 10.5363 11.2066 11.2066 11.6954 11.6954 12.0673 12.0673 12.6164 12.6164 12.7004 12.7004 k = 0.0000 0.3721 0.2064 ( 5008 PWs) bands (ev): 0.3362 0.3362 1.1190 1.1190 2.3512 2.3512 2.8721 2.8721 5.1160 5.1160 5.2004 5.2004 5.7564 5.7564 6.1824 6.1824 6.3301 6.3301 6.5336 6.5336 6.6625 6.6625 6.8153 6.8153 7.0768 7.0768 7.1561 7.1561 7.3626 7.3626 7.4185 7.4185 7.7295 7.7295 7.7673 7.7673 8.6728 8.6728 8.8643 8.8643 9.3766 9.3766 9.9582 9.9582 10.5265 10.5265 11.1941 11.1941 11.7886 11.7886 12.0643 12.0643 12.6589 12.6589 12.7024 12.7024 k = 0.0000 0.3837 0.2064 ( 5016 PWs) bands (ev): 0.4246 0.4246 1.1919 1.1919 2.3464 2.3464 2.7390 2.7390 5.0807 5.0807 5.2107 5.2107 5.7802 5.7802 6.1953 6.1953 6.3420 6.3420 6.5500 6.5500 6.6467 6.6467 6.8105 6.8105 7.0664 7.0664 7.1260 7.1260 7.3389 7.3389 7.3967 7.3967 7.6670 7.6670 7.7210 7.7210 8.6793 8.6793 8.8431 8.8431 9.4309 9.4309 9.9917 9.9917 10.5075 10.5075 11.1725 11.1725 11.8831 11.8831 12.0697 12.0697 12.6402 12.6403 12.7007 12.7007 k = 0.0000 0.3953 0.2064 ( 5016 PWs) bands (ev): 0.5153 0.5153 1.2646 1.2646 2.3357 2.3357 2.6084 2.6084 5.0510 5.0510 5.2132 5.2132 5.8117 5.8117 6.2085 6.2085 6.3521 6.3521 6.5600 6.5600 6.6362 6.6362 6.8075 6.8075 7.0542 7.0542 7.0972 7.0972 7.3174 7.3174 7.3754 7.3754 7.6092 7.6092 7.6776 7.6776 8.6842 8.6842 8.8234 8.8234 9.4863 9.4863 10.0316 10.0316 10.4801 10.4801 11.1415 11.1415 11.9775 11.9775 12.0835 12.0835 12.6186 12.6186 12.6984 12.6984 k = 0.0000 0.4070 0.2064 ( 5012 PWs) bands (ev): 0.6082 0.6082 1.3364 1.3364 2.3188 2.3188 2.4808 2.4808 5.0274 5.0274 5.2083 5.2083 5.8500 5.8500 6.2220 6.2220 6.3600 6.3600 6.5574 6.5574 6.6376 6.6376 6.8058 6.8058 7.0392 7.0392 7.0704 7.0704 7.2979 7.2979 7.3543 7.3543 7.5577 7.5577 7.6373 7.6373 8.6878 8.6878 8.8052 8.8052 9.5428 9.5428 10.0773 10.0773 10.4453 10.4453 11.1015 11.1015 12.0688 12.0688 12.1067 12.1067 12.6051 12.6051 12.6982 12.6982 k = 0.0000 0.4186 0.2064 ( 5016 PWs) bands (ev): 0.7034 0.7034 1.4064 1.4064 2.2955 2.2955 2.3572 2.3572 5.0102 5.0102 5.1971 5.1971 5.8937 5.8937 6.2355 6.2355 6.3653 6.3653 6.5434 6.5434 6.6501 6.6501 6.8053 6.8053 7.0202 7.0202 7.0466 7.0466 7.2805 7.2805 7.3333 7.3333 7.5140 7.5140 7.6001 7.6001 8.6905 8.6905 8.7885 8.7885 9.6003 9.6003 10.1283 10.1283 10.4041 10.4041 11.0533 11.0533 12.1260 12.1260 12.1666 12.1666 12.6006 12.6006 12.7011 12.7011 k = 0.0000 0.4302 0.2064 ( 5018 PWs) bands (ev): 0.8007 0.8007 1.4728 1.4728 2.2364 2.2364 2.2684 2.2684 4.9993 4.9993 5.1810 5.1810 5.9410 5.9410 6.2486 6.2486 6.3679 6.3679 6.5241 6.5241 6.6678 6.6678 6.8055 6.8055 6.9975 6.9975 7.0257 7.0257 7.2653 7.2653 7.3126 7.3126 7.4792 7.4792 7.5662 7.5662 8.6928 8.6928 8.7733 8.7733 9.6587 9.6587 10.1840 10.1840 10.3577 10.3577 10.9980 10.9980 12.1595 12.1595 12.2476 12.2476 12.6048 12.6048 12.7100 12.7100 k = 0.0000 0.4419 0.2064 ( 5016 PWs) bands (ev): 0.8998 0.8998 1.5325 1.5325 2.1264 2.1264 2.2329 2.2329 4.9948 4.9948 5.1614 5.1614 5.9905 5.9905 6.2605 6.2605 6.3680 6.3680 6.5027 6.5027 6.6874 6.6874 6.8063 6.8063 6.9734 6.9734 7.0057 7.0057 7.2522 7.2522 7.2929 7.2929 7.4538 7.4538 7.5356 7.5356 8.6949 8.6949 8.7596 8.7596 9.7178 9.7178 10.2434 10.2434 10.3074 10.3074 10.9368 10.9368 12.1947 12.1947 12.3168 12.3168 12.6171 12.6171 12.7292 12.7292 k = 0.0000 0.4535 0.2064 ( 5024 PWs) bands (ev): 1.0007 1.0007 1.5787 1.5787 2.0302 2.0302 2.1929 2.1929 4.9960 4.9960 5.1393 5.1393 6.0406 6.0406 6.2693 6.2693 6.3667 6.3667 6.4807 6.4807 6.7077 6.7077 6.8072 6.8072 6.9503 6.9503 6.9856 6.9856 7.2418 7.2418 7.2750 7.2750 7.4371 7.4371 7.5083 7.5083 8.6972 8.6972 8.7474 8.7474 9.7774 9.7774 10.2522 10.2522 10.3083 10.3083 10.8711 10.8711 12.2314 12.2314 12.3661 12.3661 12.6363 12.6363 12.7647 12.7647 k = 0.0000 0.4651 0.2064 ( 5028 PWs) bands (ev): 1.1029 1.1029 1.5965 1.5965 1.9630 1.9630 2.1485 2.1485 5.0027 5.0027 5.1160 5.1160 6.0898 6.0898 6.2718 6.2718 6.3668 6.3668 6.4587 6.4587 6.7279 6.7279 6.8070 6.8070 6.9309 6.9309 6.9656 6.9656 7.2344 7.2344 7.2597 7.2597 7.4280 7.4280 7.4846 7.4846 8.6999 8.6999 8.7367 8.7367 9.8376 9.8376 10.1964 10.1964 10.3744 10.3744 10.8021 10.8021 12.2683 12.2683 12.3916 12.3916 12.6606 12.6606 12.8176 12.8176 k = 0.0000 0.4767 0.2064 ( 5036 PWs) bands (ev): 1.2058 1.2058 1.5684 1.5684 1.9419 1.9419 2.1008 2.1008 5.0141 5.0141 5.0925 5.0925 6.1365 6.1365 6.2640 6.2640 6.3718 6.3718 6.4373 6.4373 6.7476 6.7476 6.8038 6.8038 6.9178 6.9178 6.9466 6.9466 7.2302 7.2302 7.2474 7.2474 7.4253 7.4253 7.4645 7.4645 8.7034 8.7034 8.7275 8.7275 9.8981 9.8981 10.1384 10.1384 10.4432 10.4432 10.7310 10.7310 12.3040 12.3040 12.3963 12.3963 12.6881 12.6881 12.8141 12.8141 k = 0.0000 0.4884 0.2064 ( 5048 PWs) bands (ev): 1.3082 1.3082 1.4987 1.4987 1.9622 1.9622 2.0513 2.0513 5.0296 5.0296 5.0696 5.0696 6.1790 6.1790 6.2449 6.2449 6.3827 6.3827 6.4169 6.4169 6.7661 6.7661 6.7957 6.7957 6.9136 6.9136 6.9303 6.9303 7.2295 7.2295 7.2382 7.2382 7.4282 7.4282 7.4482 7.4482 8.7077 8.7077 8.7196 8.7196 9.9586 9.9586 10.0791 10.0791 10.5140 10.5140 10.6586 10.6586 12.3367 12.3367 12.3858 12.3858 12.7178 12.7178 12.7816 12.7816 k = 0.0000 0.5000 0.2064 ( 5048 PWs) bands (ev): 1.4077 1.4077 1.4077 1.4077 2.0031 2.0031 2.0031 2.0031 5.0484 5.0484 5.0484 5.0484 6.2158 6.2158 6.2158 6.2158 6.3983 6.3983 6.3983 6.3983 6.7826 6.7826 6.7826 6.7826 6.9185 6.9185 6.9185 6.9185 7.2322 7.2322 7.2322 7.2322 7.4360 7.4360 7.4360 7.4360 8.7131 8.7131 8.7131 8.7131 10.0191 10.0191 10.0191 10.0191 10.5861 10.5861 10.5861 10.5861 12.3648 12.3648 12.3648 12.3648 12.7492 12.7492 12.7492 12.7492 k = 0.0000 0.5000 0.2064 ( 5048 PWs) bands (ev): 1.4077 1.4077 1.4077 1.4077 2.0031 2.0031 2.0031 2.0031 5.0484 5.0484 5.0484 5.0484 6.2158 6.2158 6.2158 6.2158 6.3983 6.3983 6.3983 6.3983 6.7826 6.7826 6.7826 6.7826 6.9185 6.9185 6.9185 6.9185 7.2322 7.2322 7.2322 7.2322 7.4360 7.4360 7.4360 7.4360 8.7131 8.7131 8.7131 8.7131 10.0191 10.0191 10.0191 10.0191 10.5861 10.5861 10.5861 10.5861 12.3648 12.3648 12.3648 12.3648 12.7492 12.7492 12.7492 12.7492 k = 0.0116 0.5000 0.2064 ( 5048 PWs) bands (ev): 1.4086 1.4086 1.4088 1.4088 2.0038 2.0038 2.0040 2.0040 5.0490 5.0490 5.0492 5.0492 6.2062 6.2062 6.2216 6.2216 6.3886 6.3886 6.4121 6.4121 6.7646 6.7646 6.7982 6.7982 6.9057 6.9057 6.9333 6.9333 7.2311 7.2311 7.2343 7.2343 7.4360 7.4360 7.4366 7.4366 8.7099 8.7099 8.7104 8.7104 10.0122 10.0122 10.0146 10.0146 10.5803 10.5803 10.5857 10.5857 12.3563 12.3563 12.3700 12.3700 12.7320 12.7320 12.7361 12.7361 k = 0.0233 0.5000 0.2064 ( 5048 PWs) bands (ev): 1.4115 1.4115 1.4119 1.4119 2.0062 2.0062 2.0065 2.0065 5.0509 5.0509 5.0514 5.0514 6.1938 6.1938 6.2222 6.2222 6.3841 6.3841 6.4288 6.4288 6.7456 6.7456 6.8088 6.8088 6.8973 6.8973 6.9487 6.9487 7.2312 7.2312 7.2375 7.2375 7.4364 7.4364 7.4377 7.4377 8.7009 8.7009 8.7018 8.7018 9.9937 9.9937 9.9983 9.9983 10.5694 10.5694 10.5799 10.5799 12.3398 12.3398 12.3683 12.3683 12.7055 12.7055 12.7059 12.7059 k = 0.0349 0.5000 0.2064 ( 5044 PWs) bands (ev): 1.4163 1.4163 1.4171 1.4171 2.0102 2.0102 2.0106 2.0106 5.0542 5.0542 5.0550 5.0550 6.1798 6.1798 6.2173 6.2173 6.3855 6.3855 6.4472 6.4472 6.7262 6.7262 6.8116 6.8116 6.8964 6.8964 6.9637 6.9637 7.2328 7.2328 7.2416 7.2416 7.4375 7.4375 7.4394 7.4394 8.6861 8.6861 8.6874 8.6874 9.9633 9.9633 9.9693 9.9693 10.5558 10.5558 10.5705 10.5705 12.3066 12.3066 12.3486 12.3486 12.6881 12.6881 12.6949 12.6949 k = 0.0465 0.5000 0.2064 ( 5048 PWs) bands (ev): 1.4232 1.4232 1.4241 1.4241 2.0158 2.0158 2.0163 2.0163 5.0587 5.0587 5.0597 5.0597 6.1648 6.1648 6.2076 6.2076 6.3921 6.3921 6.4667 6.4667 6.7070 6.7070 6.8062 6.8062 6.9032 6.9032 6.9775 6.9775 7.2362 7.2362 7.2468 7.2468 7.4390 7.4390 7.4416 7.4416 8.6657 8.6657 8.6672 8.6672 9.9203 9.9203 9.9269 9.9269 10.5425 10.5425 10.5602 10.5602 12.2533 12.2533 12.3036 12.3036 12.6986 12.6986 12.7101 12.7101 k = 0.0581 0.5000 0.2064 ( 5052 PWs) bands (ev): 1.4320 1.4320 1.4332 1.4332 2.0230 2.0230 2.0237 2.0237 5.0642 5.0642 5.0656 5.0656 6.1494 6.1494 6.1946 6.1946 6.4026 6.4026 6.4868 6.4868 6.6884 6.6884 6.7957 6.7957 6.9142 6.9142 6.9894 6.9894 7.2417 7.2417 7.2532 7.2532 7.4411 7.4411 7.4444 7.4444 8.6396 8.6396 8.6411 8.6411 9.8651 9.8651 9.8712 9.8712 10.5317 10.5317 10.5513 10.5513 12.1850 12.1850 12.2386 12.2386 12.7347 12.7347 12.7474 12.7474 k = 0.0698 0.5000 0.2064 ( 5044 PWs) bands (ev): 1.4427 1.4427 1.4441 1.4441 2.0319 2.0319 2.0327 2.0327 5.0706 5.0706 5.0722 5.0722 6.1340 6.1340 6.1796 6.1796 6.4159 6.4159 6.5071 6.5071 6.6709 6.6709 6.7831 6.7831 6.9265 6.9265 6.9990 6.9990 7.2498 7.2498 7.2609 7.2609 7.4438 7.4438 7.4478 7.4478 8.6079 8.6079 8.6092 8.6092 9.7987 9.7987 9.8034 9.8034 10.5245 10.5245 10.5451 10.5451 12.1085 12.1085 12.1629 12.1629 12.7863 12.7863 12.7987 12.7987 k = 0.0814 0.5000 0.2064 ( 5048 PWs) bands (ev): 1.4553 1.4553 1.4568 1.4568 2.0425 2.0425 2.0434 2.0434 5.0775 5.0775 5.0795 5.0795 6.1190 6.1190 6.1637 6.1637 6.4311 6.4311 6.5269 6.5269 6.6548 6.6548 6.7697 6.7697 6.9384 6.9384 7.0058 7.0058 7.2606 7.2606 7.2703 7.2703 7.4470 7.4470 7.4518 7.4518 8.5706 8.5706 8.5715 8.5715 9.7230 9.7230 9.7257 9.7257 10.5211 10.5211 10.5419 10.5419 12.0286 12.0286 12.0828 12.0828 12.8456 12.8456 12.8575 12.8575 k = 0.0930 0.5000 0.2064 ( 5048 PWs) bands (ev): 1.4696 1.4696 1.4713 1.4713 2.0548 2.0548 2.0557 2.0557 5.0847 5.0847 5.0871 5.0871 6.1047 6.1047 6.1479 6.1479 6.4475 6.4475 6.5454 6.5454 6.6412 6.6412 6.7566 6.7566 6.9487 6.9487 7.0097 7.0097 7.2741 7.2741 7.2813 7.2813 7.4509 7.4509 7.4565 7.4565 8.5276 8.5276 8.5277 8.5277 9.6403 9.6403 9.6405 9.6405 10.5206 10.5206 10.5412 10.5412 11.9485 11.9485 12.0021 12.0021 12.9068 12.9068 12.9186 12.9186 k = 0.1047 0.5000 0.2064 ( 5044 PWs) bands (ev): 1.4857 1.4857 1.4876 1.4876 2.0688 2.0688 2.0697 2.0697 5.0918 5.0918 5.0946 5.0946 6.0917 6.0917 6.1327 6.1327 6.4648 6.4648 6.5606 6.5606 6.6321 6.6321 6.7440 6.7440 6.9571 6.9571 7.0108 7.0108 7.2902 7.2902 7.2941 7.2941 7.4554 7.4554 7.4619 7.4619 8.4778 8.4778 8.4787 8.4787 9.5505 9.5505 9.5531 9.5531 10.5219 10.5219 10.5420 10.5420 11.8700 11.8700 11.9228 11.9228 12.9657 12.9657 12.9780 12.9780 k = 0.1163 0.5000 0.2064 ( 5044 PWs) bands (ev): 1.5035 1.5035 1.5054 1.5054 2.0845 2.0845 2.0854 2.0854 5.0984 5.0984 5.1017 5.1017 6.0801 6.0801 6.1188 6.1188 6.4827 6.4827 6.5684 6.5684 6.6316 6.6316 6.7323 6.7323 6.9632 6.9632 7.0091 7.0091 7.3086 7.3086 7.3089 7.3089 7.4605 7.4605 7.4679 7.4679 8.4216 8.4216 8.4239 8.4239 9.4581 9.4581 9.4637 9.4637 10.5235 10.5235 10.5431 10.5431 11.7946 11.7946 11.8466 11.8466 13.0193 13.0193 13.0326 13.0326 k = 0.1279 0.5000 0.2064 ( 5028 PWs) bands (ev): 1.5228 1.5228 1.5248 1.5248 2.1020 2.1020 2.1028 2.1028 5.1041 5.1041 5.1080 5.1080 6.0704 6.0704 6.1067 6.1067 6.5009 6.5009 6.5669 6.5669 6.6417 6.6417 6.7218 6.7218 6.9668 6.9668 7.0051 7.0051 7.3253 7.3253 7.3289 7.3289 7.4664 7.4664 7.4748 7.4748 8.3591 8.3591 8.3629 8.3629 9.3657 9.3657 9.3742 9.3742 10.5243 10.5243 10.5433 10.5433 11.7235 11.7235 11.7745 11.7745 13.0653 13.0653 13.0802 13.0802 k = 0.1395 0.5000 0.2064 ( 5036 PWs) bands (ev): 1.5435 1.5435 1.5456 1.5456 2.1213 2.1213 2.1221 2.1221 5.1086 5.1086 5.1129 5.1129 6.0630 6.0630 6.0967 6.0967 6.5192 6.5192 6.5601 6.5601 6.6583 6.6583 6.7124 6.7124 6.9681 6.9681 6.9990 6.9990 7.3433 7.3433 7.3507 7.3507 7.4729 7.4729 7.4824 7.4824 8.2901 8.2901 8.2957 8.2957 9.2749 9.2749 9.2865 9.2865 10.5226 10.5226 10.5411 10.5411 11.6579 11.6579 11.7079 11.7079 13.1023 13.1023 13.1195 13.1195 k = 0.1512 0.5000 0.2064 ( 5036 PWs) bands (ev): 1.5656 1.5656 1.5677 1.5677 2.1425 2.1425 2.1431 2.1431 5.1113 5.1113 5.1161 5.1161 6.0581 6.0581 6.0892 6.0892 6.5375 6.5375 6.5516 6.5516 6.6777 6.6777 6.7046 6.7046 6.9670 6.9670 6.9909 6.9909 7.3626 7.3626 7.3735 7.3735 7.4802 7.4802 7.4908 7.4908 8.2149 8.2149 8.2223 8.2223 9.1873 9.1873 9.2017 9.2017 10.5172 10.5172 10.5351 10.5351 11.5987 11.5987 11.6476 11.6476 13.1300 13.1300 13.1501 13.1501 k = 0.1628 0.5000 0.2064 ( 5036 PWs) bands (ev): 1.5889 1.5889 1.5909 1.5909 2.1656 2.1656 2.1660 2.1660 5.1120 5.1120 5.1173 5.1173 6.0562 6.0562 6.0846 6.0846 6.5433 6.5433 6.5554 6.5554 6.6981 6.6981 6.6985 6.6985 6.9636 6.9636 6.9812 6.9812 7.3828 7.3828 7.3969 7.3969 7.4883 7.4883 7.5000 7.5000 8.1341 8.1341 8.1432 8.1432 9.1039 9.1039 9.1210 9.1210 10.5067 10.5067 10.5241 10.5241 11.5472 11.5472 11.5949 11.5949 13.1486 13.1486 13.1722 13.1722 k = 0.1744 0.5000 0.2064 ( 5040 PWs) bands (ev): 1.6133 1.6133 1.6152 1.6152 2.1907 2.1907 2.1908 2.1908 5.1103 5.1103 5.1160 5.1160 6.0573 6.0573 6.0829 6.0829 6.5355 6.5355 6.5724 6.5724 6.6945 6.6945 6.7190 6.7190 6.9581 6.9581 6.9700 6.9700 7.4034 7.4034 7.4204 7.4204 7.4973 7.4973 7.5102 7.5102 8.0485 8.0485 8.0592 8.0592 9.0253 9.0253 9.0448 9.0448 10.4900 10.4900 10.5067 10.5067 11.5042 11.5042 11.5507 11.5507 13.1589 13.1589 13.1862 13.1862 k = 0.1860 0.5000 0.2064 ( 5036 PWs) bands (ev): 1.6386 1.6386 1.6404 1.6404 2.2176 2.2176 2.2177 2.2177 5.1061 5.1061 5.1121 5.1121 6.0616 6.0616 6.0842 6.0842 6.5288 6.5288 6.5880 6.5880 6.6932 6.6932 6.7398 6.7398 6.9506 6.9506 6.9571 6.9571 7.4237 7.4237 7.4431 7.4431 7.5074 7.5074 7.5214 7.5214 7.9598 7.9598 7.9717 7.9717 8.9519 8.9519 8.9733 8.9733 10.4662 10.4662 10.4822 10.4822 11.4705 11.4705 11.5156 11.5156 13.1619 13.1619 13.1929 13.1929 k = 0.1977 0.5000 0.2064 ( 5044 PWs) bands (ev): 1.6646 1.6646 1.6663 1.6663 2.2464 2.2464 2.2469 2.2469 5.0992 5.0992 5.1055 5.1055 6.0688 6.0688 6.0883 6.0883 6.5230 6.5230 6.6013 6.6013 6.6952 6.6952 6.7601 6.7601 6.9408 6.9408 6.9427 6.9427 7.4427 7.4427 7.4637 7.4637 7.5189 7.5189 7.5336 7.5336 7.8702 7.8702 7.8828 7.8828 8.8835 8.8835 8.9065 8.9065 10.4347 10.4347 10.4500 10.4500 11.4465 11.4465 11.4901 11.4901 13.1587 13.1587 13.1932 13.1932 k = 0.2093 0.5000 0.2064 ( 5044 PWs) bands (ev): 1.6912 1.6912 1.6927 1.6927 2.2773 2.2773 2.2781 2.2781 5.0896 5.0896 5.0962 5.0962 6.0788 6.0788 6.0950 6.0950 6.5185 6.5185 6.6116 6.6116 6.7009 6.7009 6.7791 6.7791 6.9268 6.9268 6.9289 6.9289 7.4585 7.4585 7.4798 7.4798 7.5318 7.5318 7.5465 7.5465 7.7837 7.7837 7.7962 7.7962 8.8199 8.8199 8.8442 8.8442 10.3955 10.3955 10.4101 10.4101 11.4321 11.4321 11.4743 11.4743 13.1505 13.1505 13.1881 13.1881 k = 0.2209 0.5000 0.2064 ( 5036 PWs) bands (ev): 1.7183 1.7183 1.7195 1.7195 2.3102 2.3102 2.3115 2.3115 5.0775 5.0775 5.0842 5.0842 6.0912 6.0912 6.1038 6.1038 6.5152 6.5152 6.6186 6.6186 6.7101 6.7101 6.7956 6.7956 6.9098 6.9098 6.9144 6.9144 7.4672 7.4672 7.4862 7.4862 7.5454 7.5454 7.5592 7.5592 7.7084 7.7084 7.7189 7.7189 8.7607 8.7607 8.7858 8.7858 10.3490 10.3490 10.3630 10.3630 11.4267 11.4267 11.4676 11.4676 13.1383 13.1383 13.1784 13.1784 k = 0.2326 0.5000 0.2064 ( 5036 PWs) bands (ev): 1.7455 1.7455 1.7465 1.7465 2.3453 2.3453 2.3471 2.3471 5.0631 5.0631 5.0699 5.0699 6.1052 6.1052 6.1140 6.1140 6.5129 6.5129 6.6228 6.6228 6.7211 6.7211 6.8056 6.8056 6.8940 6.8940 6.8976 6.8976 7.4591 7.4591 7.4720 7.4720 7.5569 7.5569 7.5688 7.5688 7.6608 7.6608 7.6657 7.6657 8.7055 8.7055 8.7311 8.7311 10.2960 10.2960 10.3095 10.3095 11.4297 11.4297 11.4694 11.4694 13.1230 13.1230 13.1649 13.1649 k = 0.2442 0.5000 0.2064 ( 5040 PWs) bands (ev): 1.7728 1.7728 1.7735 1.7735 2.3826 2.3826 2.3849 2.3849 5.0466 5.0466 5.0534 5.0534 6.1202 6.1202 6.1250 6.1250 6.5117 6.5117 6.6246 6.6246 6.7307 6.7307 6.8005 6.8005 6.8792 6.8792 6.8865 6.8865 7.4239 7.4239 7.4294 7.4294 7.5664 7.5664 7.5746 7.5746 7.6505 7.6505 7.6514 7.6514 8.6538 8.6538 8.6798 8.6798 10.2372 10.2372 10.2504 10.2504 11.4401 11.4401 11.4789 11.4789 13.1052 13.1052 13.1484 13.1484 k = 0.2558 0.5000 0.2064 ( 5040 PWs) bands (ev): 1.8000 1.8000 1.8004 1.8004 2.4221 2.4221 2.4249 2.4249 5.0283 5.0283 5.0352 5.0352 6.1351 6.1351 6.1358 6.1358 6.5114 6.5114 6.6243 6.6243 6.7330 6.7330 6.7742 6.7742 6.8632 6.8632 6.8915 6.8915 7.3711 7.3711 7.3742 7.3742 7.5770 7.5770 7.5826 7.5826 7.6609 7.6609 7.6647 7.6647 8.6054 8.6054 8.6314 8.6314 10.1737 10.1737 10.1868 10.1868 11.4571 11.4571 11.4952 11.4952 13.0854 13.0854 13.1292 13.1292 k = 0.2674 0.5000 0.2064 ( 5040 PWs) bands (ev): 1.8269 1.8269 1.8270 1.8270 2.4638 2.4638 2.4671 2.4671 5.0087 5.0087 5.0155 5.0155 6.1451 6.1451 6.1487 6.1487 6.5117 6.5117 6.6206 6.6206 6.7202 6.7202 6.7311 6.7311 6.8571 6.8571 6.9031 6.9031 7.3180 7.3180 7.3230 7.3230 7.5891 7.5891 7.5941 7.5941 7.6812 7.6812 7.6866 7.6866 8.5600 8.5600 8.5858 8.5858 10.1064 10.1064 10.1196 10.1196 11.4798 11.4798 11.5174 11.5174 13.0638 13.0638 13.1077 13.1077 k = 0.2791 0.5000 0.2064 ( 5028 PWs) bands (ev): 1.8531 1.8531 1.8533 1.8533 2.5076 2.5076 2.5114 2.5114 4.9881 4.9881 4.9947 4.9947 6.1514 6.1514 6.1591 6.1591 6.5118 6.5118 6.6093 6.6093 6.6771 6.6771 6.6934 6.6934 6.8641 6.8641 6.9167 6.9167 7.2736 7.2736 7.2828 7.2828 7.6023 7.6023 7.6076 7.6076 7.7056 7.7056 7.7121 7.7121 8.5175 8.5175 8.5428 8.5428 10.0362 10.0362 10.0496 10.0496 11.5074 11.5074 11.5448 11.5448 13.0407 13.0407 13.0841 13.0841 k = 0.2907 0.5000 0.2064 ( 5028 PWs) bands (ev): 1.8787 1.8787 1.8792 1.8792 2.5535 2.5535 2.5578 2.5578 4.9667 4.9667 4.9733 4.9733 6.1522 6.1522 6.1637 6.1637 6.5096 6.5096 6.5808 6.5808 6.6189 6.6189 6.6686 6.6686 6.8800 6.8800 6.9303 6.9303 7.2408 7.2408 7.2557 7.2557 7.6161 7.6161 7.6220 7.6220 7.7321 7.7321 7.7394 7.7394 8.4776 8.4776 8.5024 8.5024 9.9638 9.9638 9.9774 9.9774 11.5395 11.5395 11.5768 11.5768 13.0160 13.0160 13.0585 13.0585 k = 0.3023 0.5000 0.2064 ( 5032 PWs) bands (ev): 1.9035 1.9035 1.9043 1.9043 2.6013 2.6013 2.6061 2.6061 4.9451 4.9451 4.9515 4.9515 6.1442 6.1442 6.1583 6.1583 6.4975 6.4975 6.5344 6.5344 6.5704 6.5704 6.6556 6.6556 6.9005 6.9005 6.9433 6.9433 7.2193 7.2193 7.2408 7.2408 7.6302 7.6302 7.6370 7.6370 7.7599 7.7599 7.7677 7.7677 8.4405 8.4405 8.4645 8.4645 9.8897 9.8897 9.9038 9.9038 11.5754 11.5754 11.6128 11.6128 12.9898 12.9898 13.0310 13.0310 k = 0.3140 0.5000 0.2064 ( 5036 PWs) bands (ev): 1.9276 1.9276 1.9286 1.9286 2.6509 2.6509 2.6562 2.6562 4.9236 4.9236 4.9297 4.9297 6.1223 6.1223 6.1369 6.1369 6.4659 6.4659 6.4848 6.4848 6.5495 6.5495 6.6489 6.6489 6.9233 6.9233 6.9559 6.9559 7.2076 7.2076 7.2361 7.2361 7.6443 7.6443 7.6521 7.6521 7.7886 7.7886 7.7967 7.7967 8.4062 8.4062 8.4293 8.4293 9.8148 9.8148 9.8293 9.8293 11.6146 11.6146 11.6523 11.6523 12.9621 12.9621 13.0019 13.0019 k = 0.3256 0.5000 0.2064 ( 5044 PWs) bands (ev): 1.9507 1.9507 1.9519 1.9519 2.7022 2.7022 2.7079 2.7079 4.9024 4.9024 4.9083 4.9083 6.0820 6.0820 6.0942 6.0942 6.4329 6.4329 6.4443 6.4443 6.5454 6.5454 6.6441 6.6441 6.9470 6.9470 6.9683 6.9683 7.2041 7.2041 7.2395 7.2395 7.6581 7.6581 7.6670 7.6670 7.8178 7.8178 7.8262 7.8262 8.3749 8.3749 8.3969 8.3969 9.7393 9.7393 9.7543 9.7543 11.6567 11.6567 11.6948 11.6948 12.9332 12.9332 12.9712 12.9712 k = 0.3372 0.5000 0.2064 ( 5048 PWs) bands (ev): 1.9728 1.9728 1.9742 1.9742 2.7549 2.7549 2.7609 2.7609 4.8819 4.8819 4.8876 4.8876 6.0224 6.0224 6.0304 6.0304 6.4124 6.4124 6.4176 6.4176 6.5458 6.5458 6.6396 6.6396 6.9707 6.9707 6.9808 6.9808 7.2072 7.2072 7.2489 7.2489 7.6713 7.6713 7.6814 7.6814 7.8473 7.8473 7.8562 7.8562 8.3469 8.3469 8.3676 8.3676 9.6638 9.6638 9.6793 9.6793 11.7014 11.7014 11.7398 11.7398 12.9032 12.9032 12.9392 12.9392 k = 0.3488 0.5000 0.2064 ( 5044 PWs) bands (ev): 1.9937 1.9937 1.9953 1.9953 2.8086 2.8086 2.8150 2.8150 4.8624 4.8624 4.8679 4.8679 5.9475 5.9475 5.9513 5.9513 6.4031 6.4031 6.4033 6.4033 6.5472 6.5472 6.6350 6.6350 6.9937 6.9937 6.9939 6.9939 7.2158 7.2158 7.2627 7.2627 7.6832 7.6832 7.6948 7.6948 7.8770 7.8770 7.8864 7.8864 8.3226 8.3226 8.3416 8.3416 9.5887 9.5887 9.6047 9.6047 11.7480 11.7480 11.7869 11.7869 12.8726 12.8726 12.9065 12.9065 k = 0.3605 0.5000 0.2064 ( 5044 PWs) bands (ev): 2.0135 2.0135 2.0152 2.0152 2.8632 2.8632 2.8698 2.8698 4.8443 4.8443 4.8495 4.8495 5.8629 5.8629 5.8635 5.8635 6.3970 6.3970 6.4014 6.4014 6.5484 6.5484 6.6298 6.6298 7.0071 7.0071 7.0158 7.0158 7.2290 7.2290 7.2798 7.2798 7.6936 7.6936 7.7067 7.7067 7.9066 7.9066 7.9168 7.9168 8.3025 8.3025 8.3193 8.3193 9.5145 9.5145 9.5309 9.5309 11.7961 11.7961 11.8354 11.8354 12.8417 12.8417 12.8736 12.8736 k = 0.3721 0.5000 0.2064 ( 5044 PWs) bands (ev): 2.0321 2.0321 2.0337 2.0337 2.9181 2.9181 2.9248 2.9248 4.8278 4.8278 4.8328 4.8328 5.7715 5.7715 5.7734 5.7734 6.3959 6.3959 6.4034 6.4034 6.5493 6.5493 6.6242 6.6242 7.0209 7.0209 7.0362 7.0362 7.2458 7.2458 7.2989 7.2989 7.7019 7.7019 7.7165 7.7165 7.9359 7.9359 7.9473 7.9473 8.2870 8.2870 8.3010 8.3010 9.4415 9.4415 9.4582 9.4582 11.8451 11.8451 11.8847 11.8847 12.8114 12.8114 12.8412 12.8412 k = 0.3837 0.5000 0.2064 ( 5048 PWs) bands (ev): 2.0493 2.0493 2.0510 2.0510 2.9728 2.9728 2.9795 2.9795 4.8134 4.8134 4.8180 4.8180 5.6784 5.6784 5.6820 5.6820 6.3977 6.3977 6.4074 6.4074 6.5496 6.5496 6.6182 6.6182 7.0349 7.0349 7.0547 7.0547 7.2655 7.2655 7.3194 7.3194 7.7076 7.7076 7.7237 7.7237 7.9646 7.9646 7.9776 7.9776 8.2766 8.2766 8.2871 8.2871 9.3701 9.3701 9.3872 9.3872 11.8943 11.8943 11.9340 11.9340 12.7824 12.7824 12.8102 12.8102 k = 0.3953 0.5000 0.2064 ( 5040 PWs) bands (ev): 2.0651 2.0651 2.0667 2.0667 3.0267 3.0267 3.0334 3.0334 4.8012 4.8012 4.8056 4.8056 5.5862 5.5862 5.5910 5.5910 6.4011 6.4011 6.4124 6.4124 6.5493 6.5493 6.6117 6.6117 7.0490 7.0490 7.0714 7.0714 7.2873 7.2873 7.3407 7.3407 7.7104 7.7104 7.7279 7.7279 7.9924 7.9924 8.0074 8.0074 8.2717 8.2717 8.2779 8.2779 9.3009 9.3009 9.3181 9.3181 11.9428 11.9428 11.9822 11.9822 12.7558 12.7558 12.7815 12.7815 k = 0.4070 0.5000 0.2064 ( 5036 PWs) bands (ev): 2.0794 2.0794 2.0810 2.0810 3.0792 3.0792 3.0857 3.0857 4.7917 4.7917 4.7959 4.7959 5.4965 5.4965 5.5020 5.5020 6.4054 6.4054 6.4177 6.4177 6.5487 6.5487 6.6050 6.6050 7.0628 7.0628 7.0860 7.0860 7.3104 7.3104 7.3621 7.3621 7.7102 7.7102 7.7288 7.7288 8.0188 8.0188 8.0361 8.0361 8.2723 8.2723 8.2737 8.2737 9.2343 9.2343 9.2515 9.2515 11.9897 11.9897 12.0283 12.0283 12.7327 12.7327 12.7562 12.7562 k = 0.4186 0.5000 0.2064 ( 5036 PWs) bands (ev): 2.0922 2.0922 2.0937 2.0937 3.1294 3.1294 3.1357 3.1357 4.7852 4.7852 4.7891 4.7891 5.4105 5.4105 5.4164 5.4164 6.4102 6.4102 6.4229 6.4229 6.5479 6.5479 6.5982 6.5982 7.0759 7.0759 7.0987 7.0987 7.3342 7.3342 7.3832 7.3832 7.7071 7.7071 7.7264 7.7264 8.0436 8.0436 8.0629 8.0629 8.2744 8.2744 8.2781 8.2781 9.1709 9.1709 9.1879 9.1879 12.0338 12.0338 12.0707 12.0707 12.7141 12.7141 12.7353 12.7353 k = 0.4302 0.5000 0.2064 ( 5024 PWs) bands (ev): 2.1035 2.1035 2.1048 2.1048 3.1764 3.1764 3.1822 3.1822 4.7820 4.7820 4.7857 4.7857 5.3294 5.3294 5.3355 5.3355 6.4151 6.4151 6.4277 6.4277 6.5471 6.5471 6.5912 6.5912 7.0882 7.0882 7.1094 7.1094 7.3581 7.3581 7.4035 7.4035 7.7015 7.7015 7.7211 7.7211 8.0663 8.0663 8.0871 8.0871 8.2801 8.2801 8.2885 8.2885 9.1117 9.1117 9.1281 9.1281 12.0738 12.0738 12.1083 12.1083 12.7010 12.7010 12.7195 12.7195 k = 0.4419 0.5000 0.2064 ( 5024 PWs) bands (ev): 2.1131 2.1131 2.1143 2.1143 3.2191 3.2191 3.2243 3.2243 4.7823 4.7823 4.7859 4.7859 5.2544 5.2544 5.2603 5.2603 6.4199 6.4199 6.4319 6.4319 6.5466 6.5466 6.5843 6.5843 7.0994 7.0994 7.1181 7.1181 7.3813 7.3813 7.4223 7.4223 7.6942 7.6942 7.7133 7.7133 8.0866 8.0866 8.1077 8.1077 8.2903 8.2903 8.3021 8.3021 9.0574 9.0574 9.0730 9.0730 12.1088 12.1088 12.1395 12.1395 12.6940 12.6940 12.7093 12.7093 k = 0.4535 0.5000 0.2064 ( 5012 PWs) bands (ev): 2.1211 2.1211 2.1221 2.1221 3.2565 3.2565 3.2609 3.2609 4.7863 4.7863 4.7896 4.7896 5.1869 5.1869 5.1925 5.1925 6.4246 6.4246 6.4353 6.4353 6.5466 6.5466 6.5776 6.5776 7.1092 7.1092 7.1249 7.1249 7.4034 7.4034 7.4389 7.4389 7.6860 7.6860 7.7039 7.7039 8.1043 8.1043 8.1239 8.1239 8.3040 8.3040 8.3174 8.3174 9.0096 9.0096 9.0236 9.0236 12.1378 12.1378 12.1637 12.1637 12.6926 12.6926 12.7045 12.7045 k = 0.4651 0.5000 0.2064 ( 5016 PWs) bands (ev): 2.1274 2.1274 2.1281 2.1281 3.2873 3.2873 3.2908 3.2908 4.7934 4.7934 4.7964 4.7964 5.1288 5.1288 5.1338 5.1338 6.4288 6.4288 6.4376 6.4376 6.5474 6.5474 6.5712 6.5712 7.1175 7.1175 7.1296 7.1296 7.4235 7.4235 7.4523 7.4523 7.6782 7.6782 7.6938 7.6938 8.1190 8.1190 8.1354 8.1354 8.3195 8.3195 8.3322 8.3322 8.9697 8.9697 8.9815 8.9815 12.1605 12.1605 12.1806 12.1806 12.6955 12.6955 12.7040 12.7040 k = 0.4767 0.5000 0.2064 ( 5012 PWs) bands (ev): 2.1319 2.1319 2.1324 2.1324 3.3104 3.3104 3.3128 3.3128 4.8026 4.8026 4.8050 4.8050 5.0828 5.0828 5.0866 5.0866 6.4325 6.4325 6.4387 6.4387 6.5491 6.5491 6.5653 6.5653 7.1242 7.1242 7.1324 7.1324 7.4408 7.4408 7.4615 7.4615 7.6723 7.6723 7.6841 7.6841 8.1307 8.1307 8.1424 8.1424 8.3344 8.3344 8.3443 8.3443 8.9398 8.9398 8.9484 8.9484 12.1772 12.1772 12.1908 12.1908 12.7006 12.7006 12.7059 12.7059 k = 0.4884 0.5000 0.2064 ( 5004 PWs) bands (ev): 2.1347 2.1347 2.1349 2.1349 3.3250 3.3250 3.3262 3.3262 4.8111 4.8111 4.8125 4.8125 5.0525 5.0525 5.0546 5.0546 6.4355 6.4355 6.4388 6.4388 6.5518 6.5518 6.5600 6.5600 7.1291 7.1291 7.1333 7.1333 7.4543 7.4543 7.4651 7.4651 7.6696 7.6696 7.6760 7.6760 8.1391 8.1391 8.1452 8.1452 8.3460 8.3460 8.3515 8.3515 8.9219 8.9219 8.9264 8.9264 12.1882 12.1882 12.1951 12.1951 12.7054 12.7054 12.7079 12.7079 k = 0.5000 0.5000 0.2064 ( 5016 PWs) bands (ev): 2.1357 2.1357 2.1357 2.1357 3.3303 3.3303 3.3303 3.3303 4.8151 4.8151 4.8151 4.8151 5.0424 5.0424 5.0424 5.0424 6.4376 6.4376 6.4376 6.4376 6.5554 6.5554 6.5554 6.5554 7.1321 7.1321 7.1321 7.1321 7.4627 7.4627 7.4627 7.4627 7.6709 7.6709 7.6709 7.6709 8.1440 8.1440 8.1440 8.1440 8.3521 8.3521 8.3521 8.3521 8.9173 8.9173 8.9173 8.9173 12.1941 12.1941 12.1941 12.1941 12.7080 12.7080 12.7080 12.7080 k = 0.5000 0.5000 0.2064 ( 5016 PWs) bands (ev): 2.1357 2.1357 2.1357 2.1357 3.3303 3.3303 3.3303 3.3303 4.8151 4.8151 4.8151 4.8151 5.0424 5.0424 5.0424 5.0424 6.4376 6.4376 6.4376 6.4376 6.5554 6.5554 6.5554 6.5554 7.1321 7.1321 7.1321 7.1321 7.4627 7.4627 7.4627 7.4627 7.6709 7.6709 7.6709 7.6709 8.1440 8.1440 8.1440 8.1440 8.3521 8.3521 8.3521 8.3521 8.9173 8.9173 8.9173 8.9173 12.1941 12.1941 12.1941 12.1941 12.7080 12.7080 12.7080 12.7080 k = 0.4917 0.4917 0.2064 ( 5002 PWs) bands (ev): 2.1347 2.1347 2.1349 2.1349 3.3193 3.3193 3.3317 3.3317 4.8069 4.8069 4.8164 4.8164 5.0510 5.0510 5.0568 5.0568 6.4351 6.4351 6.4391 6.4391 6.5517 6.5517 6.5600 6.5600 7.1290 7.1290 7.1333 7.1333 7.4535 7.4535 7.4659 7.4659 7.6671 7.6671 7.6785 7.6785 8.1379 8.1379 8.1462 8.1462 8.3425 8.3425 8.3550 8.3550 8.9170 8.9170 8.9316 8.9316 12.1875 12.1875 12.1957 12.1957 12.7052 12.7052 12.7080 12.7080 k = 0.4833 0.4833 0.2064 ( 5010 PWs) bands (ev): 2.1317 2.1317 2.1322 2.1322 3.2876 3.2876 3.3357 3.3357 4.7855 4.7855 4.8199 4.8199 5.0742 5.0742 5.0980 5.0980 6.4303 6.4303 6.4409 6.4409 6.5491 6.5491 6.5653 6.5653 7.1236 7.1236 7.1327 7.1327 7.4370 7.4370 7.4664 7.4664 7.6589 7.6589 7.6964 7.6964 8.1232 8.1232 8.1487 8.1487 8.3192 8.3192 8.3616 8.3616 8.9172 8.9172 8.9702 8.9702 12.1727 12.1727 12.1952 12.1952 12.6990 12.6990 12.7069 12.7069 k = 0.4750 0.4750 0.2064 ( 5010 PWs) bands (ev): 2.1267 2.1267 2.1275 2.1275 3.2384 3.2384 3.3424 3.3424 4.7566 4.7566 4.8259 4.8259 5.1064 5.1064 5.1632 5.1632 6.4227 6.4227 6.4435 6.4435 6.5477 6.5477 6.5711 6.5711 7.1161 7.1161 7.1305 7.1305 7.4155 7.4155 7.4659 7.4659 7.6455 7.6455 7.7217 7.7217 8.0975 8.0975 8.1526 8.1526 8.2894 8.2894 8.3722 8.3722 8.9175 8.9175 9.0275 9.0275 12.1489 12.1489 12.1930 12.1930 12.6894 12.6894 12.7076 12.7076 k = 0.4667 0.4667 0.2064 ( 5016 PWs) bands (ev): 2.1189 2.1189 2.1208 2.1208 3.1761 3.1761 3.3519 3.3519 4.7243 4.7243 4.8342 4.8342 5.1433 5.1433 5.2484 5.2484 6.4124 6.4124 6.4470 6.4470 6.5475 6.5475 6.5772 6.5772 7.1066 7.1066 7.1266 7.1266 7.3919 7.3919 7.4648 7.4648 7.6270 7.6270 7.7516 7.7516 8.0597 8.0597 8.1579 8.1579 8.2599 8.2599 8.3867 8.3867 8.9179 8.9179 9.0973 9.0973 12.1163 12.1163 12.1890 12.1890 12.6766 12.6766 12.7133 12.7133 k = 0.4583 0.4583 0.2064 ( 5016 PWs) bands (ev): 2.1077 2.1077 2.1118 2.1118 3.1052 3.1052 3.3640 3.3640 4.6910 4.6910 4.8448 4.8448 5.1828 5.1828 5.3495 5.3495 6.3998 6.3998 6.4515 6.4515 6.5483 6.5483 6.5835 6.5835 7.0955 7.0955 7.1206 7.1206 7.3683 7.3683 7.4634 7.4634 7.6037 7.6037 7.7840 7.7840 8.0109 8.0109 8.1646 8.1646 8.2342 8.2342 8.4045 8.4045 8.9185 8.9185 9.1754 9.1754 12.0762 12.0762 12.1825 12.1825 12.6612 12.6612 12.7259 12.7259 k = 0.4500 0.4500 0.2064 ( 5016 PWs) bands (ev): 2.0919 2.0919 2.1005 2.1005 3.0300 3.0300 3.3788 3.3788 4.6584 4.6584 4.8579 4.8579 5.2235 5.2235 5.4628 5.4628 6.3850 6.3850 6.4567 6.4567 6.5502 6.5502 6.5899 6.5899 7.0833 7.0833 7.1123 7.1123 7.3465 7.3465 7.4615 7.4615 7.5758 7.5758 7.8177 7.8177 7.9543 7.9543 8.1727 8.1727 8.2122 8.2122 8.4253 8.4253 8.9193 8.9193 9.2587 9.2587 12.0307 12.0307 12.1730 12.1730 12.6436 12.6436 12.7464 12.7464 k = 0.4417 0.4417 0.2064 ( 5012 PWs) bands (ev): 2.0704 2.0704 2.0868 2.0868 2.9544 2.9544 3.3962 3.3962 4.6273 4.6273 4.8732 4.8732 5.2646 5.2646 5.5850 5.5850 6.3683 6.3683 6.4625 6.4625 6.5529 6.5529 6.5965 6.5965 7.0703 7.0703 7.1019 7.1019 7.3276 7.3276 7.4592 7.4592 7.5438 7.5438 7.8506 7.8506 7.8943 7.8943 8.1819 8.1819 8.1934 8.1934 8.4485 8.4485 8.9203 8.9203 9.3452 9.3452 11.9819 11.9819 12.1601 12.1601 12.6245 12.6245 12.7749 12.7749 k = 0.4333 0.4333 0.2064 ( 5018 PWs) bands (ev): 2.0415 2.0415 2.0702 2.0702 2.8819 2.8819 3.4164 3.4164 4.5986 4.5986 4.8908 4.8908 5.3056 5.3056 5.7133 5.7133 6.3498 6.3498 6.4689 6.4689 6.5564 6.5564 6.6034 6.6034 7.0563 7.0563 7.0906 7.0906 7.3122 7.3122 7.4560 7.4560 7.5086 7.5086 7.8251 7.8251 7.8902 7.8902 8.1754 8.1754 8.1939 8.1939 8.4735 8.4735 8.9214 8.9214 9.4334 9.4334 11.9318 11.9318 12.1440 12.1440 12.6045 12.6045 12.8108 12.8108 k = 0.4250 0.4250 0.2064 ( 5034 PWs) bands (ev): 2.0039 2.0039 2.0507 2.0507 2.8154 2.8154 3.4392 3.4392 4.5728 4.5728 4.9107 4.9107 5.3461 5.3461 5.8451 5.8451 6.3298 6.3298 6.4755 6.4755 6.5606 6.5606 6.6105 6.6105 7.0400 7.0400 7.0813 7.0813 7.3005 7.3005 7.4482 7.4482 7.4742 7.4742 7.7604 7.7604 7.9240 7.9240 8.1606 8.1606 8.2060 8.2060 8.4999 8.4999 8.9228 8.9228 9.5218 9.5218 11.8823 11.8823 12.1251 12.1251 12.5841 12.5841 12.8536 12.8536 k = 0.4167 0.4167 0.2064 ( 5036 PWs) bands (ev): 1.9564 1.9564 2.0281 2.0281 2.7570 2.7570 3.4647 3.4647 4.5505 4.5505 4.9327 4.9327 5.3858 5.3858 5.9773 5.9773 6.3084 6.3084 6.4820 6.4820 6.5653 6.5653 6.6181 6.6181 7.0199 7.0199 7.0785 7.0785 7.2920 7.2920 7.4184 7.4184 7.4587 7.4587 7.6949 7.6949 7.9580 7.9580 8.1478 8.1478 8.2195 8.2195 8.5273 8.5273 8.9245 8.9245 9.6093 9.6093 11.8349 11.8349 12.1043 12.1043 12.5637 12.5637 12.9027 12.9027 k = 0.4083 0.4083 0.2064 ( 5034 PWs) bands (ev): 1.8986 1.8986 2.0021 2.0021 2.7081 2.7081 3.4928 3.4928 4.5321 4.5321 4.9569 4.9569 5.4243 5.4243 6.1066 6.1066 6.2861 6.2861 6.4882 6.4882 6.5706 6.5706 6.6261 6.6261 6.9960 6.9960 7.0859 7.0859 7.2860 7.2860 7.3750 7.3750 7.4543 7.4543 7.6303 7.6303 7.9910 7.9910 8.1376 8.1376 8.2343 8.2343 8.5551 8.5551 8.9264 8.9264 9.6944 9.6944 11.7907 11.7907 12.0830 12.0830 12.5437 12.5437 12.9574 12.9574 k = 0.4000 0.4000 0.2064 ( 5038 PWs) bands (ev): 1.8308 1.8308 1.9727 1.9727 2.6686 2.6686 3.5236 3.5236 4.5179 4.5179 4.9833 4.9833 5.4611 5.4611 6.2276 6.2276 6.2643 6.2643 6.4936 6.4936 6.5763 6.5763 6.6347 6.6347 6.9695 6.9695 7.1072 7.1072 7.2805 7.2805 7.3289 7.3289 7.4513 7.4513 7.5677 7.5677 8.0218 8.0218 8.1314 8.1314 8.2503 8.2503 8.5829 8.5829 8.9287 8.9287 9.7757 9.7757 11.7506 11.7506 12.0627 12.0627 12.5244 12.5244 13.0173 13.0173 k = 0.3917 0.3917 0.2064 ( 5038 PWs) bands (ev): 1.7543 1.7543 1.9397 1.9397 2.6377 2.6377 3.5571 3.5571 4.5083 4.5083 5.0117 5.0117 5.4960 5.4960 6.2377 6.2377 6.3408 6.3408 6.4977 6.4977 6.5826 6.5826 6.6434 6.6434 6.9415 6.9415 7.1471 7.1471 7.2657 7.2657 7.2902 7.2902 7.4487 7.4487 7.5083 7.5083 8.0482 8.0482 8.1314 8.1314 8.2673 8.2673 8.6105 8.6105 8.9314 8.9314 9.8519 9.8519 11.7152 11.7152 12.0455 12.0455 12.5061 12.5061 13.0818 13.0818 k = 0.3833 0.3833 0.2064 ( 5034 PWs) bands (ev): 1.6706 1.6706 1.9030 1.9030 2.6141 2.6141 3.5931 3.5931 4.5033 4.5033 5.0420 5.0420 5.5283 5.5283 6.2140 6.2140 6.4336 6.4336 6.5006 6.5006 6.5902 6.5902 6.6522 6.6522 6.9128 6.9128 7.2097 7.2097 7.2219 7.2219 7.2773 7.2773 7.4453 7.4453 7.4556 7.4556 8.0667 8.0667 8.1412 8.1412 8.2853 8.2853 8.6376 8.6376 8.9346 8.9346 9.9213 9.9213 11.6851 11.6851 12.0331 12.0331 12.4890 12.4890 13.1503 13.1503 k = 0.3750 0.3750 0.2064 ( 5030 PWs) bands (ev): 1.5815 1.5815 1.8627 1.8627 2.5963 2.5963 3.6319 3.6319 4.5032 4.5032 5.0743 5.0743 5.5575 5.5575 6.1906 6.1906 6.4944 6.4944 6.5121 6.5121 6.6016 6.6016 6.6604 6.6604 6.8842 6.8842 7.1710 7.1710 7.2626 7.2626 7.2994 7.2994 7.4097 7.4097 7.4455 7.4455 8.0771 8.0771 8.1614 8.1614 8.3043 8.3043 8.6638 8.6638 8.9383 8.9383 9.9823 9.9823 11.6605 11.6605 12.0276 12.0276 12.4734 12.4734 13.2223 13.2223 k = 0.3667 0.3667 0.2064 ( 5034 PWs) bands (ev): 1.4885 1.4885 1.8189 1.8189 2.5826 2.5826 3.6732 3.6732 4.5080 4.5080 5.1084 5.1084 5.5828 5.5828 6.1684 6.1684 6.4967 6.4967 6.5524 6.5524 6.6240 6.6240 6.6677 6.6677 6.8567 6.8567 7.1192 7.1192 7.2407 7.2407 7.3717 7.3717 7.4174 7.4174 7.4448 7.4448 8.0838 8.0838 8.1877 8.1877 8.3241 8.3241 8.6890 8.6890 8.9426 8.9426 10.0336 10.0336 11.6417 11.6417 12.0307 12.0307 12.4593 12.4593 13.2973 13.2973 k = 0.3583 0.3583 0.2064 ( 5030 PWs) bands (ev): 1.3929 1.3929 1.7717 1.7717 2.5719 2.5719 3.7172 3.7172 4.5176 4.5176 5.1442 5.1442 5.6033 5.6033 6.1482 6.1482 6.4930 6.4930 6.5704 6.5704 6.6599 6.6599 6.6734 6.6734 6.8313 6.8313 7.0675 7.0675 7.2065 7.2065 7.3600 7.3600 7.4424 7.4424 7.5470 7.5470 8.0907 8.0907 8.2165 8.2165 8.3446 8.3446 8.7132 8.7132 8.9475 8.9475 10.0738 10.0738 11.6288 11.6288 12.0439 12.0439 12.4468 12.4468 13.3744 13.3744 k = 0.3500 0.3500 0.2064 ( 5032 PWs) bands (ev): 1.2957 1.2957 1.7212 1.7212 2.5630 2.5630 3.7637 3.7637 4.5318 4.5318 5.1817 5.1817 5.6181 5.6181 6.1312 6.1312 6.4867 6.4867 6.5763 6.5763 6.6762 6.6762 6.6996 6.6996 6.8097 6.8097 7.0168 7.0168 7.1658 7.1658 7.3549 7.3549 7.4423 7.4423 7.6933 7.6933 8.0997 8.0997 8.2459 8.2459 8.3657 8.3657 8.7364 8.7364 8.9533 8.9533 10.1023 10.1023 11.6218 11.6218 12.0682 12.0682 12.4359 12.4359 13.4528 13.4528 k = 0.3417 0.3417 0.2064 ( 5038 PWs) bands (ev): 1.1977 1.1977 1.6676 1.6676 2.5551 2.5551 3.8129 3.8129 4.5505 4.5505 5.2207 5.2207 5.6260 5.6260 6.1185 6.1185 6.4783 6.4783 6.5768 6.5768 6.6744 6.6744 6.7390 6.7390 6.7946 6.7946 6.9678 6.9678 7.1236 7.1236 7.3545 7.3545 7.4429 7.4429 7.8503 7.8503 8.1116 8.1116 8.2754 8.2754 8.3874 8.3874 8.7586 8.7586 8.9599 8.9599 10.1187 10.1187 11.6205 11.6205 12.1038 12.1038 12.4268 12.4268 13.5275 13.5282 k = 0.3333 0.3333 0.2064 ( 5018 PWs) bands (ev): 1.0996 1.0996 1.6113 1.6113 2.5475 2.5475 3.8646 3.8646 4.5732 4.5732 5.2610 5.2610 5.6266 5.6266 6.1108 6.1108 6.4680 6.4680 6.5737 6.5737 6.6660 6.6660 6.7767 6.7767 6.7898 6.7898 6.9215 6.9215 7.0829 7.0829 7.3563 7.3563 7.4446 7.4446 8.0142 8.0142 8.1272 8.1272 8.3046 8.3046 8.4094 8.4094 8.7802 8.7802 8.9675 8.9675 10.1235 10.1235 11.6248 11.6248 12.1503 12.1503 12.4193 12.4193 13.5088 13.5088 k = 0.3250 0.3250 0.2064 ( 5030 PWs) bands (ev): 1.0019 1.0019 1.5525 1.5525 2.5396 2.5396 3.9189 3.9189 4.5996 4.5996 5.3026 5.3026 5.6198 5.6198 6.1085 6.1085 6.4555 6.4555 6.5673 6.5673 6.6509 6.6509 6.7882 6.7882 6.8202 6.8202 6.8791 6.8791 7.0453 7.0453 7.3590 7.3590 7.4476 7.4476 8.1457 8.1457 8.1828 8.1828 8.3336 8.3336 8.4319 8.4319 8.8018 8.8018 8.9762 8.9762 10.1173 10.1173 11.6344 11.6344 12.2066 12.2066 12.4135 12.4135 13.4811 13.4811 k = 0.3167 0.3167 0.2064 ( 5032 PWs) bands (ev): 0.9050 0.9050 1.4915 1.4915 2.5309 2.5309 3.9757 3.9757 4.6292 4.6292 5.3451 5.3451 5.6061 5.6061 6.1115 6.1115 6.4410 6.4410 6.5576 6.5576 6.6312 6.6312 6.7965 6.7965 6.8399 6.8399 6.8634 6.8634 7.0118 7.0118 7.3615 7.3615 7.4520 7.4520 8.1696 8.1696 8.3434 8.3434 8.3686 8.3686 8.4554 8.4554 8.8250 8.8250 8.9863 8.9863 10.1013 10.1013 11.6489 11.6489 12.2712 12.2712 12.4094 12.4094 13.4516 13.4516 k = 0.3083 0.3083 0.2064 ( 5032 PWs) bands (ev): 0.8092 0.8092 1.4285 1.4285 2.5212 2.5212 4.0351 4.0351 4.6612 4.6612 5.3882 5.3882 5.5871 5.5871 6.1192 6.1192 6.4241 6.4241 6.5450 6.5450 6.6087 6.6087 6.7996 6.7996 6.8182 6.8182 6.9059 6.9059 6.9834 6.9834 7.3637 7.3637 7.4580 7.4580 8.1974 8.1974 8.3867 8.3867 8.4701 8.4701 8.5253 8.5253 8.8538 8.8538 8.9981 8.9981 10.0770 10.0770 11.6681 11.6681 12.3411 12.3411 12.4079 12.4079 13.4204 13.4204 k = 0.3000 0.3000 0.2064 ( 5028 PWs) bands (ev): 0.7147 0.7147 1.3641 1.3641 2.5101 2.5101 4.0970 4.0970 4.6950 4.6950 5.4310 5.4310 5.5650 5.5650 6.1306 6.1306 6.4045 6.4045 6.5297 6.5297 6.5844 6.5844 6.7772 6.7772 6.8304 6.8304 6.9449 6.9449 6.9667 6.9667 7.3653 7.3653 7.4656 7.4656 8.2295 8.2295 8.4139 8.4139 8.4952 8.4952 8.6680 8.6680 8.9010 8.9010 9.0128 9.0128 10.0457 10.0457 11.6915 11.6915 12.3945 12.3945 12.4288 12.4288 13.3872 13.3872 k = 0.2917 0.2917 0.2064 ( 5028 PWs) bands (ev): 0.6217 0.6217 1.2983 1.2983 2.4973 2.4973 4.1613 4.1613 4.7294 4.7294 5.4694 5.4694 5.5454 5.5454 6.1450 6.1450 6.3821 6.3821 6.5122 6.5122 6.5593 6.5593 6.7564 6.7564 6.8494 6.8494 6.9367 6.9367 7.0050 7.0050 7.3661 7.3661 7.4745 7.4745 8.2662 8.2662 8.4401 8.4401 8.5169 8.5169 8.7646 8.7646 8.9852 8.9852 9.0416 9.0416 10.0087 10.0087 11.7185 11.7185 12.3991 12.3992 12.5020 12.5020 13.3519 13.3519 k = 0.2833 0.2833 0.2064 ( 5030 PWs) bands (ev): 0.5305 0.5305 1.2316 1.2316 2.4828 2.4828 4.2282 4.2282 4.7633 4.7633 5.4839 5.4839 5.5496 5.5496 6.1616 6.1616 6.3568 6.3568 6.4931 6.4931 6.5343 6.5343 6.7406 6.7406 6.8710 6.8710 6.9232 6.9232 7.0564 7.0564 7.3664 7.3664 7.4847 7.4847 8.3073 8.3073 8.4657 8.4657 8.5378 8.5378 8.8114 8.8114 9.0303 9.0303 9.1613 9.1613 9.9673 9.9673 11.7488 11.7488 12.3994 12.3994 12.5807 12.5807 13.3145 13.3145 k = 0.2750 0.2750 0.2064 ( 5028 PWs) bands (ev): 0.4411 0.4411 1.1642 1.1642 2.4665 2.4665 4.2975 4.2975 4.7950 4.7950 5.4685 5.4685 5.5857 5.5857 6.1799 6.1799 6.3289 6.3289 6.4724 6.4724 6.5103 6.5103 6.7297 6.7297 6.8942 6.8942 6.9141 6.9141 7.1113 7.1113 7.3662 7.3662 7.4960 7.4960 8.3526 8.3526 8.4909 8.4909 8.5579 8.5579 8.8373 8.8373 9.0511 9.0511 9.3272 9.3272 9.9224 9.9224 11.7818 11.7818 12.3993 12.3993 12.6586 12.6586 13.2747 13.2747 k = 0.2667 0.2667 0.2064 ( 5028 PWs) bands (ev): 0.3536 0.3536 1.0964 1.0964 2.4483 2.4483 4.3693 4.3693 4.8225 4.8225 5.4490 5.4490 5.6299 5.6299 6.1994 6.1994 6.2992 6.2992 6.4505 6.4505 6.4877 6.4877 6.7234 6.7234 6.9051 6.9051 6.9231 6.9231 7.1695 7.1695 7.3656 7.3656 7.5082 7.5082 8.4016 8.4016 8.5161 8.5161 8.5776 8.5776 8.8558 8.8558 9.0714 9.0714 9.5014 9.5014 9.8752 9.8752 11.8169 11.8169 12.3987 12.3987 12.7332 12.7332 13.2325 13.2325 k = 0.2583 0.2583 0.2064 ( 5018 PWs) bands (ev): 0.2683 0.2683 1.0284 1.0284 2.4282 2.4282 4.4434 4.4434 4.8436 4.8436 5.4338 5.4338 5.6759 5.6759 6.2192 6.2192 6.2690 6.2690 6.4278 6.4278 6.4663 6.4663 6.7213 6.7213 6.9028 6.9028 6.9503 6.9503 7.2308 7.2308 7.3650 7.3650 7.5212 7.5212 8.4527 8.4527 8.5422 8.5422 8.5974 8.5974 8.8711 8.8711 9.0929 9.0929 9.6771 9.6771 9.8263 9.8263 11.8537 11.8537 12.3973 12.3973 12.8028 12.8028 13.1879 13.1879 k = 0.2500 0.2500 0.2064 ( 5010 PWs) bands (ev): 0.1851 0.1851 0.9606 0.9606 2.4063 2.4063 4.5200 4.5200 4.8561 4.8561 5.4264 5.4264 5.7224 5.7224 6.2266 6.2266 6.2515 6.2515 6.4050 6.4050 6.4460 6.4460 6.7231 6.7231 6.9023 6.9023 6.9802 6.9802 7.2946 7.2946 7.3646 7.3646 7.5351 7.5351 8.5022 8.5022 8.5707 8.5707 8.6193 8.6193 8.8850 8.8850 9.1160 9.1160 9.7756 9.7756 9.8523 9.8523 11.8918 11.8918 12.3943 12.3943 12.8655 12.8655 13.1410 13.1410 k = 0.2417 0.2417 0.2064 ( 5002 PWs) bands (ev): 0.1041 0.1041 0.8932 0.8932 2.3827 2.3827 4.5988 4.5988 4.8585 4.8585 5.4285 5.4285 5.7689 5.7689 6.1992 6.1992 6.2696 6.2696 6.3827 6.3827 6.4264 6.4264 6.7286 6.7286 6.9037 6.9037 7.0121 7.0121 7.3525 7.3525 7.3728 7.3728 7.5498 7.5498 8.5434 8.5434 8.6007 8.6007 8.6508 8.6508 8.8982 8.8982 9.1407 9.1407 9.7256 9.7256 10.0232 10.0232 11.9307 11.9307 12.3887 12.3887 12.9201 12.9201 13.0919 13.0919 k = 0.2333 0.2333 0.2064 ( 5012 PWs) bands (ev): 0.0254 0.0254 0.8264 0.8264 2.3575 2.3575 4.6800 4.6800 4.8503 4.8503 5.4405 5.4405 5.8150 5.8150 6.1674 6.1674 6.2927 6.2927 6.3618 6.3618 6.4074 6.4074 6.7373 6.7373 6.9070 6.9070 7.0459 7.0459 7.3595 7.3595 7.4340 7.4340 7.5659 7.5659 8.5738 8.5738 8.6246 8.6246 8.7019 8.7019 8.9112 8.9112 9.1668 9.1668 9.6755 9.6755 10.1893 10.1893 11.9703 11.9703 12.3796 12.3796 12.9650 12.9650 13.0409 13.0409 k = 0.2250 0.2250 0.2064 ( 5016 PWs) bands (ev): -0.0509 -0.0509 0.7604 0.7604 2.3308 2.3308 4.7633 4.7633 4.8328 4.8328 5.4612 5.4612 5.8605 5.8605 6.1356 6.1356 6.3128 6.3128 6.3466 6.3466 6.3889 6.3889 6.7489 6.7489 6.9120 6.9120 7.0815 7.0815 7.3593 7.3593 7.5019 7.5019 7.5858 7.5858 8.5974 8.5974 8.6422 8.6422 8.7682 8.7682 8.9246 8.9246 9.1941 9.1941 9.6261 9.6261 10.3484 10.3484 12.0107 12.0107 12.3652 12.3652 12.9830 12.9830 13.0053 13.0053 k = 0.2167 0.2167 0.2064 ( 5020 PWs) bands (ev): -0.1248 -0.1248 0.6953 0.6953 2.3029 2.3029 4.8065 4.8065 4.8499 4.8499 5.4886 5.4886 5.9050 5.9050 6.1045 6.1045 6.3099 6.3099 6.3559 6.3559 6.3717 6.3717 6.7633 6.7633 6.9186 6.9186 7.1186 7.1186 7.3590 7.3590 7.5584 7.5584 7.6206 7.6206 8.6173 8.6173 8.6569 8.6569 8.8426 8.8426 8.9387 8.9387 9.2224 9.2224 9.5782 9.5782 10.4983 10.4983 12.0523 12.0523 12.3437 12.3437 12.9310 12.9310 13.0282 13.0282 k = 0.2083 0.2083 0.2064 ( 5024 PWs) bands (ev): -0.1963 -0.1963 0.6315 0.6315 2.2739 2.2739 4.7757 4.7757 4.9375 4.9375 5.5205 5.5205 5.9483 5.9483 6.0744 6.0744 6.2932 6.2932 6.3522 6.3522 6.3842 6.3842 6.7803 6.7803 6.9270 6.9270 7.1570 7.1570 7.3595 7.3595 7.5889 7.5889 7.6840 7.6840 8.6349 8.6349 8.6703 8.6703 8.9202 8.9202 8.9550 8.9550 9.2513 9.2513 9.5329 9.5329 10.6366 10.6366 12.0956 12.0956 12.3126 12.3126 12.8750 12.8750 13.0438 13.0438 k = 0.2000 0.2000 0.2064 ( 5028 PWs) bands (ev): -0.2652 -0.2652 0.5690 0.5690 2.2441 2.2441 4.7405 4.7405 5.0276 5.0276 5.5550 5.5550 5.9897 5.9897 6.0460 6.0460 6.2756 6.2756 6.3356 6.3356 6.4132 6.4132 6.7996 6.7996 6.9376 6.9376 7.1957 7.1957 7.3616 7.3616 7.6080 7.6080 7.7611 7.7611 8.6505 8.6505 8.6828 8.6828 8.9657 8.9657 9.0062 9.0062 9.2805 9.2805 9.4921 9.4921 10.7608 10.7608 12.1417 12.1417 12.2692 12.2692 12.8181 12.8181 13.0403 13.0403 k = 0.1917 0.1917 0.2064 ( 5024 PWs) bands (ev): -0.3316 -0.3316 0.5080 0.5080 2.2135 2.2135 4.7027 4.7027 5.1198 5.1198 5.5905 5.5905 6.0127 6.0127 6.0353 6.0353 6.2588 6.2588 6.3194 6.3194 6.4434 6.4434 6.8212 6.8212 6.9507 6.9507 7.2332 7.2332 7.3668 7.3668 7.6241 7.6241 7.8427 7.8427 8.6643 8.6643 8.6947 8.6947 8.9841 8.9841 9.0829 9.0829 9.3094 9.3094 9.4602 9.4602 10.8684 10.8684 12.1901 12.1901 12.2124 12.2124 12.7607 12.7607 12.9590 12.9590 k = 0.1833 0.1833 0.2064 ( 5024 PWs) bands (ev): -0.3954 -0.3954 0.4487 0.4487 2.1826 2.1826 4.6633 4.6633 5.2141 5.2141 5.6257 5.6257 5.9890 5.9890 6.0702 6.0702 6.2436 6.2436 6.3039 6.3039 6.4733 6.4733 6.8452 6.8452 6.9670 6.9670 7.2660 7.2660 7.3786 7.3786 7.6391 7.6391 7.9266 7.9266 8.6766 8.6766 8.7059 8.7059 9.0030 9.0030 9.1477 9.1477 9.3376 9.3376 9.4469 9.4469 10.9576 10.9576 12.1361 12.1361 12.2467 12.2467 12.7035 12.7035 12.8813 12.8813 k = 0.1750 0.1750 0.2064 ( 5020 PWs) bands (ev): -0.4566 -0.4566 0.3911 0.3911 2.1514 2.1514 4.6233 4.6233 5.3104 5.3104 5.6599 5.6599 5.9641 5.9641 6.1042 6.1042 6.2311 6.2311 6.2892 6.2892 6.5018 6.5018 6.8713 6.8713 6.9873 6.9873 7.2894 7.2894 7.4015 7.4015 7.6535 7.6535 8.0115 8.0115 8.6876 8.6876 8.7162 8.7162 9.0235 9.0235 9.1826 9.1826 9.3651 9.3651 9.4685 9.4685 11.0276 11.0276 12.0470 12.0470 12.3053 12.3053 12.6469 12.6469 12.8157 12.8157 k = 0.1667 0.1667 0.2064 ( 5032 PWs) bands (ev): -0.5152 -0.5152 0.3355 0.3355 2.1202 2.1202 4.5832 4.5832 5.4086 5.4086 5.6924 5.6924 5.9403 5.9403 6.1319 6.1319 6.2240 6.2240 6.2756 6.2756 6.5277 6.5277 6.8993 6.8993 7.0126 7.0126 7.3024 7.3024 7.4366 7.4366 7.6675 7.6675 8.0965 8.0965 8.6974 8.6974 8.7253 8.7253 9.0460 9.0460 9.1816 9.1816 9.3919 9.3919 9.5304 9.5304 11.0788 11.0788 11.9452 11.9452 12.3671 12.3671 12.5918 12.5918 12.7604 12.7604 k = 0.1583 0.1583 0.2064 ( 5012 PWs) bands (ev): -0.5711 -0.5711 0.2820 0.2820 2.0892 2.0892 4.5434 4.5434 5.5086 5.5086 5.7228 5.7228 5.9181 5.9181 6.1477 6.1477 6.2269 6.2269 6.2641 6.2641 6.5502 6.5502 6.9284 6.9284 7.0441 7.0441 7.3083 7.3083 7.4802 7.4802 7.6811 7.6811 8.1809 8.1809 8.7063 8.7063 8.7330 8.7330 9.0706 9.0706 9.1588 9.1588 9.4168 9.4168 9.6189 9.6189 11.1131 11.1131 11.8345 11.8345 12.4293 12.4293 12.5389 12.5389 12.7127 12.7127 k = 0.1500 0.1500 0.2064 ( 5010 PWs) bands (ev): -0.6242 -0.6242 0.2306 0.2306 2.0586 2.0586 4.5045 4.5045 5.6103 5.6103 5.7508 5.7508 5.8977 5.8977 6.1493 6.1493 6.2347 6.2347 6.2617 6.2617 6.5685 6.5685 6.9575 6.9575 7.0828 7.0828 7.3107 7.3107 7.5286 7.5286 7.6944 7.6944 8.2638 8.2638 8.7138 8.7138 8.7393 8.7393 9.0958 9.0958 9.1282 9.1282 9.4391 9.4391 9.7214 9.7214 11.1331 11.1331 11.7184 11.7184 12.4761 12.4761 12.5018 12.5018 12.6698 12.6698 k = 0.1417 0.1417 0.2064 ( 5006 PWs) bands (ev): -0.6747 -0.6747 0.1814 0.1814 2.0286 2.0286 4.4666 4.4666 5.7135 5.7135 5.7757 5.7757 5.8798 5.8798 6.1433 6.1433 6.2297 6.2297 6.2797 6.2797 6.5827 6.5827 6.9858 6.9858 7.1290 7.1290 7.3112 7.3112 7.5796 7.5796 7.7074 7.7074 8.3443 8.3443 8.7192 8.7192 8.7448 8.7448 9.0860 9.0860 9.1310 9.1310 9.4585 9.4585 9.8318 9.8318 11.1423 11.1423 11.5997 11.5997 12.4365 12.4365 12.5486 12.5486 12.6296 12.6296 k = 0.1333 0.1333 0.2064 ( 5002 PWs) bands (ev): -0.7223 -0.7223 0.1346 0.1346 1.9994 1.9994 4.4300 4.4300 5.7954 5.7954 5.8171 5.8171 5.8675 5.8675 6.1347 6.1347 6.2198 6.2198 6.3052 6.3052 6.5928 6.5928 7.0130 7.0130 7.1822 7.1822 7.3109 7.3109 7.6319 7.6319 7.7203 7.7203 8.4216 8.4216 8.7208 8.7208 8.7508 8.7508 9.0491 9.0491 9.1617 9.1617 9.4745 9.4745 9.9474 9.9474 11.1440 11.1440 11.4811 11.4811 12.3926 12.3926 12.5858 12.5858 12.5998 12.5998 k = 0.1250 0.1250 0.2064 ( 4998 PWs) bands (ev): -0.7672 -0.7672 0.0902 0.0902 1.9711 1.9711 4.3950 4.3950 5.8056 5.8056 5.8593 5.8593 5.9264 5.9264 6.1259 6.1259 6.2095 6.2095 6.3317 6.3317 6.5993 6.5993 7.0391 7.0391 7.2411 7.2411 7.3103 7.3103 7.6835 7.6835 7.7345 7.7345 8.4951 8.4951 8.7170 8.7170 8.7585 8.7585 9.0106 9.0106 9.1953 9.1953 9.4865 9.4865 10.0666 10.0666 11.1414 11.1414 11.3646 11.3646 12.3523 12.3523 12.5498 12.5498 12.6333 12.6333 k = 0.1167 0.1167 0.2064 ( 5014 PWs) bands (ev): -0.8093 -0.8093 0.0483 0.0483 1.9439 1.9439 4.3616 4.3616 5.8023 5.8023 5.8685 5.8685 6.0308 6.0308 6.1191 6.1191 6.1995 6.1995 6.3574 6.3574 6.6028 6.6028 7.0641 7.0641 7.3009 7.3009 7.3131 7.3131 7.7256 7.7256 7.7580 7.7580 8.5642 8.5642 8.7074 8.7074 8.7679 8.7679 8.9719 8.9719 9.2301 9.2301 9.4943 9.4943 10.1886 10.1886 11.1376 11.1376 11.2519 11.2519 12.3165 12.3165 12.5102 12.5102 12.6581 12.6581 k = 0.1083 0.1083 0.2064 ( 5002 PWs) bands (ev): -0.8486 -0.8486 0.0091 0.0091 1.9179 1.9179 4.3301 4.3301 5.7920 5.7920 5.8835 5.8835 6.0977 6.0977 6.1522 6.1522 6.1900 6.1900 6.3820 6.3820 6.6038 6.6038 7.0880 7.0880 7.3071 7.3071 7.3728 7.3728 7.7453 7.7453 7.8032 7.8032 8.6288 8.6288 8.6917 8.6917 8.7789 8.7789 8.9334 8.9334 9.2648 9.2648 9.4975 9.4975 10.3125 10.3125 11.1344 11.1344 11.1454 11.1454 12.2854 12.2854 12.4700 12.4700 12.6703 12.6703 k = 0.1000 0.1000 0.2064 ( 5002 PWs) bands (ev): -0.8851 -0.8851 -0.0276 -0.0276 1.8934 1.8934 4.3005 4.3005 5.7801 5.7801 5.8996 5.8996 6.0955 6.0955 6.1811 6.1811 6.2563 6.2563 6.4052 6.4052 6.6028 6.6028 7.1108 7.1108 7.3065 7.3065 7.4418 7.4418 7.7572 7.7572 7.8549 7.8549 8.6687 8.6687 8.6896 8.6896 8.7915 8.7915 8.8954 8.8954 9.2979 9.2979 9.4958 9.4958 10.4378 10.4378 11.0431 11.0431 11.1376 11.1376 12.2594 12.2594 12.4294 12.4294 12.6701 12.6701 k = 0.0917 0.0917 0.2064 ( 4998 PWs) bands (ev): -0.9187 -0.9187 -0.0615 -0.0615 1.8703 1.8703 4.2730 4.2730 5.7683 5.7683 5.9151 5.9151 6.0895 6.0895 6.1728 6.1728 6.3656 6.3656 6.4268 6.4268 6.6003 6.6003 7.1322 7.1322 7.3059 7.3059 7.5122 7.5122 7.7672 7.7672 7.9066 7.9066 8.6402 8.6402 8.7445 8.7445 8.8055 8.8055 8.8584 8.8584 9.3277 9.3277 9.4890 9.4890 10.5639 10.5639 10.9496 10.9496 11.1457 11.1457 12.2384 12.2384 12.3889 12.3889 12.6582 12.6582 k = 0.0833 0.0833 0.2064 ( 4998 PWs) bands (ev): -0.9494 -0.9494 -0.0926 -0.0926 1.8489 1.8489 4.2476 4.2476 5.7570 5.7570 5.9295 5.9295 6.0840 6.0840 6.1651 6.1651 6.4461 6.4461 6.4765 6.4765 6.5966 6.5966 7.1520 7.1520 7.3056 7.3056 7.5830 7.5830 7.7760 7.7760 7.9569 7.9569 8.6042 8.6042 8.7928 8.7928 8.8128 8.8128 8.8338 8.8338 9.3527 9.3527 9.4772 9.4772 10.6901 10.6901 10.8645 10.8645 11.1616 11.1616 12.2224 12.2224 12.3490 12.3490 12.6357 12.6357 k = 0.0750 0.0750 0.2064 ( 4990 PWs) bands (ev): -0.9772 -0.9772 -0.1209 -0.1209 1.8293 1.8293 4.2245 4.2245 5.7468 5.7468 5.9425 5.9425 6.0795 6.0795 6.1580 6.1580 6.4646 6.4646 6.5862 6.5862 6.5924 6.5924 7.1700 7.1700 7.3059 7.3059 7.6533 7.6533 7.7841 7.7841 8.0048 8.0048 8.5609 8.5609 8.7783 8.7783 8.8321 8.8321 8.8594 8.8594 9.3714 9.3714 9.4604 9.4604 10.7870 10.7870 10.8171 10.8171 11.1863 11.1863 12.2108 12.2108 12.3103 12.3103 12.6040 12.6040 k = 0.0667 0.0667 0.2064 ( 4990 PWs) bands (ev): -1.0022 -1.0022 -0.1464 -0.1464 1.8114 1.8114 4.2036 4.2036 5.7375 5.7375 5.9538 5.9538 6.0762 6.0762 6.1515 6.1515 6.4810 6.4810 6.5871 6.5871 6.6964 6.6964 7.1857 7.1857 7.3069 7.3069 7.7223 7.7223 7.7913 7.7913 8.0496 8.0496 8.5105 8.5105 8.7420 8.7420 8.8564 8.8564 8.9020 8.9020 9.3827 9.3827 9.4389 9.4389 10.7209 10.7209 10.9410 10.9410 11.2201 11.2201 12.2033 12.2033 12.2735 12.2735 12.5646 12.5646 k = 0.0583 0.0583 0.2064 ( 4998 PWs) bands (ev): -1.0242 -1.0242 -0.1689 -0.1689 1.7955 1.7955 4.1850 4.1850 5.7293 5.7293 5.9634 5.9634 6.0742 6.0742 6.1456 6.1456 6.4957 6.4957 6.5818 6.5818 6.8047 6.8047 7.1991 7.1991 7.3086 7.3086 7.7881 7.7881 7.7988 7.7988 8.0907 8.0907 8.4538 8.4538 8.7054 8.7054 8.8805 8.8805 8.9463 8.9463 9.3863 9.3863 9.4131 9.4131 10.6632 10.6632 11.0640 11.0640 11.2625 11.2625 12.1987 12.1987 12.2395 12.2395 12.5188 12.5205 k = 0.0500 0.0500 0.2064 ( 5002 PWs) bands (ev): -1.0433 -1.0433 -0.1885 -0.1885 1.7815 1.7815 4.1688 4.1688 5.7222 5.7222 5.9711 5.9711 6.0735 6.0735 6.1403 6.1403 6.5085 6.5085 6.5766 6.5766 6.9106 6.9106 7.2101 7.2101 7.3111 7.3111 7.8028 7.8028 7.8535 7.8535 8.1273 8.1273 8.3916 8.3916 8.6691 8.6691 8.9067 8.9067 8.9898 8.9898 9.3809 9.3809 9.3848 9.3848 10.6147 10.6147 11.1844 11.1844 11.3121 11.3121 12.1943 12.1943 12.2108 12.2108 12.4681 12.4712 k = 0.0417 0.0417 0.2064 ( 5010 PWs) bands (ev): -1.0595 -1.0595 -0.2052 -0.2052 1.7696 1.7696 4.1551 4.1551 5.7161 5.7161 5.9769 5.9769 6.0740 6.0740 6.1355 6.1355 6.5195 6.5195 6.5716 6.5716 7.0125 7.0125 7.2186 7.2186 7.3141 7.3141 7.8077 7.8077 7.9133 7.9133 8.1591 8.1591 8.3259 8.3259 8.6337 8.6337 8.9354 8.9354 9.0322 9.0322 9.3502 9.3502 9.3715 9.3715 10.5750 10.5750 11.3012 11.3012 11.3668 11.3668 12.1764 12.1764 12.2004 12.2004 12.4100 12.4102 k = 0.0333 0.0333 0.2064 ( 5010 PWs) bands (ev): -1.0728 -1.0728 -0.2188 -0.2188 1.7598 1.7598 4.1438 4.1438 5.7112 5.7112 5.9812 5.9812 6.0753 6.0753 6.1314 6.1314 6.5286 6.5286 6.5671 6.5671 7.1081 7.1081 7.2250 7.2250 7.3174 7.3174 7.8117 7.8117 7.9677 7.9677 8.1853 8.1853 8.2594 8.2594 8.6001 8.6001 8.9663 8.9663 9.0735 9.0735 9.3153 9.3153 9.3541 9.3541 10.5435 10.5435 11.4130 11.4130 11.4238 11.4238 12.1537 12.1537 12.1987 12.1987 12.3394 12.3394 k = 0.0250 0.0250 0.2064 ( 5004 PWs) bands (ev): -1.0831 -1.0831 -0.2295 -0.2295 1.7521 1.7521 4.1350 4.1350 5.7073 5.7073 5.9841 5.9841 6.0771 6.0771 6.1280 6.1280 6.5360 6.5360 6.5632 6.5632 7.1939 7.1939 7.2295 7.2295 7.3206 7.3206 7.8149 7.8149 8.0149 8.0149 8.1915 8.1915 8.2100 8.2100 8.5696 8.5696 8.9986 8.9986 9.1135 9.1135 9.2793 9.2793 9.3315 9.3315 10.5198 10.5198 11.4784 11.4784 11.5176 11.5176 12.1343 12.1343 12.1952 12.1952 12.2668 12.2668 k = 0.0167 0.0167 0.2064 ( 5012 PWs) bands (ev): -1.0904 -1.0904 -0.2371 -0.2371 1.7466 1.7466 4.1287 4.1287 5.7046 5.7046 5.9859 5.9859 6.0789 6.0789 6.1254 6.1254 6.5415 6.5415 6.5599 6.5599 7.2323 7.2323 7.2644 7.2644 7.3232 7.3232 7.8173 7.8173 8.0523 8.0523 8.1387 8.1387 8.2225 8.2225 8.5444 8.5444 9.0305 9.0305 9.1514 9.1514 9.2447 9.2447 9.3053 9.3053 10.5033 10.5033 11.5257 11.5257 11.6099 11.6099 12.1181 12.1181 12.1846 12.1846 12.2013 12.2013 k = 0.0083 0.0083 0.2064 ( 5018 PWs) bands (ev): -1.0949 -1.0949 -0.2417 -0.2417 1.7433 1.7433 4.1249 4.1249 5.7029 5.7029 5.9869 5.9869 6.0802 6.0802 6.1237 6.1237 6.5453 6.5453 6.5575 6.5575 7.2339 7.2339 7.3116 7.3116 7.3254 7.3254 7.8188 7.8188 8.0765 8.0765 8.1003 8.1003 8.2314 8.2314 8.5272 8.5272 9.0575 9.0575 9.1847 9.1847 9.2165 9.2165 9.2783 9.2783 10.4936 10.4936 11.5586 11.5586 11.6796 11.6796 12.1011 12.1011 12.1487 12.1487 12.1777 12.1778 k = 0.0000 0.0000 0.2064 ( 5014 PWs) bands (ev): -1.0963 -1.0963 -0.2432 -0.2432 1.7422 1.7422 4.1236 4.1236 5.7024 5.7024 5.9872 5.9872 6.0808 6.0808 6.1231 6.1231 6.5468 6.5468 6.5565 6.5565 7.2344 7.2344 7.3236 7.3236 7.3311 7.3311 7.8193 7.8193 8.0824 8.0824 8.0888 8.0888 8.2344 8.2344 8.5211 8.5211 9.0692 9.0692 9.1984 9.1984 9.2084 9.2084 9.2626 9.2626 10.4904 10.4904 11.5706 11.5706 11.7074 11.7074 12.0892 12.0892 12.1348 12.1348 12.1716 12.1716 k = 0.0000 0.5000-0.0000 ( 5028 PWs) bands (ev): 1.3021 1.3021 1.3021 1.3021 2.2232 2.2232 2.2232 2.2232 4.6406 4.6406 4.6406 4.6406 6.2701 6.2701 6.2701 6.2701 6.4224 6.4224 6.4224 6.4224 6.7550 6.7550 6.7550 6.7550 6.8754 6.8754 6.8754 6.8754 7.2748 7.2748 7.2748 7.2748 8.1617 8.1617 8.1617 8.1617 8.7867 8.7867 8.7867 8.7867 9.6033 9.6033 9.6033 9.6033 10.3531 10.3531 10.3531 10.3531 11.8147 11.8147 11.8147 11.8147 12.9392 12.9392 12.9392 12.9392 k = 0.0000 0.5000 0.0115 ( 5024 PWs) bands (ev): 1.3028 1.3028 1.3028 1.3028 2.2216 2.2216 2.2216 2.2216 4.6434 4.6434 4.6434 4.6434 6.2700 6.2700 6.2700 6.2700 6.4223 6.4223 6.4223 6.4223 6.7552 6.7552 6.7552 6.7552 6.8755 6.8755 6.8755 6.8755 7.2748 7.2748 7.2748 7.2748 8.1547 8.1547 8.1547 8.1547 8.7861 8.7861 8.7861 8.7861 9.6083 9.6083 9.6083 9.6083 10.3547 10.3547 10.3547 10.3547 11.8180 11.8180 11.8180 11.8180 12.9397 12.9397 12.9397 12.9397 k = 0.0000 0.5000 0.0229 ( 5028 PWs) bands (ev): 1.3047 1.3047 1.3047 1.3047 2.2169 2.2169 2.2169 2.2169 4.6516 4.6516 4.6516 4.6516 6.2693 6.2693 6.2693 6.2693 6.4218 6.4218 6.4218 6.4218 6.7557 6.7557 6.7557 6.7557 6.8759 6.8759 6.8759 6.8759 7.2746 7.2746 7.2746 7.2746 8.1341 8.1341 8.1341 8.1341 8.7843 8.7843 8.7843 8.7843 9.6230 9.6230 9.6230 9.6230 10.3597 10.3597 10.3597 10.3597 11.8279 11.8279 11.8279 11.8279 12.9410 12.9410 12.9410 12.9410 k = 0.0000 0.5000 0.0344 ( 5028 PWs) bands (ev): 1.3079 1.3079 1.3079 1.3079 2.2091 2.2091 2.2091 2.2091 4.6652 4.6652 4.6652 4.6652 6.2683 6.2683 6.2683 6.2683 6.4210 6.4210 6.4210 6.4210 6.7565 6.7565 6.7565 6.7565 6.8764 6.8764 6.8764 6.8764 7.2743 7.2743 7.2743 7.2743 8.1013 8.1013 8.1013 8.1013 8.7813 8.7813 8.7813 8.7813 9.6460 9.6460 9.6460 9.6460 10.3678 10.3678 10.3678 10.3678 11.8444 11.8444 11.8444 11.8444 12.9431 12.9431 12.9431 12.9431 k = 0.0000 0.5000 0.0459 ( 5032 PWs) bands (ev): 1.3123 1.3123 1.3123 1.3123 2.1985 2.1985 2.1985 2.1985 4.6838 4.6838 4.6838 4.6838 6.2669 6.2669 6.2669 6.2669 6.4199 6.4199 6.4199 6.4199 6.7576 6.7576 6.7576 6.7576 6.8772 6.8772 6.8772 6.8772 7.2738 7.2738 7.2738 7.2738 8.0582 8.0582 8.0582 8.0582 8.7773 8.7773 8.7773 8.7773 9.6756 9.6756 9.6756 9.6756 10.3789 10.3789 10.3789 10.3789 11.8670 11.8670 11.8670 11.8670 12.9461 12.9461 12.9461 12.9461 k = 0.0000 0.5000 0.0573 ( 5026 PWs) bands (ev): 1.3178 1.3178 1.3178 1.3178 2.1854 2.1854 2.1854 2.1854 4.7068 4.7068 4.7068 4.7068 6.2650 6.2650 6.2650 6.2650 6.4186 6.4186 6.4186 6.4186 6.7591 6.7591 6.7591 6.7591 6.8783 6.8783 6.8783 6.8783 7.2732 7.2732 7.2732 7.2732 8.0070 8.0070 8.0070 8.0070 8.7725 8.7725 8.7725 8.7725 9.7097 9.7097 9.7097 9.7097 10.3926 10.3926 10.3926 10.3926 11.8957 11.8957 11.8957 11.8957 12.9500 12.9500 12.9500 12.9500 k = 0.0000 0.5000 0.0688 ( 5018 PWs) bands (ev): 1.3243 1.3243 1.3243 1.3243 2.1703 2.1703 2.1703 2.1703 4.7338 4.7338 4.7338 4.7338 6.2626 6.2626 6.2626 6.2626 6.4170 6.4170 6.4170 6.4170 6.7608 6.7608 6.7608 6.7608 6.8797 6.8797 6.8797 6.8797 7.2724 7.2724 7.2724 7.2724 7.9498 7.9498 7.9498 7.9498 8.7670 8.7670 8.7670 8.7670 9.7464 9.7464 9.7464 9.7464 10.4086 10.4086 10.4086 10.4086 11.9300 11.9300 11.9300 11.9300 12.9547 12.9547 12.9547 12.9547 k = 0.0000 0.5000 0.0803 ( 5004 PWs) bands (ev): 1.3318 1.3318 1.3318 1.3318 2.1534 2.1534 2.1534 2.1534 4.7641 4.7641 4.7641 4.7641 6.2597 6.2597 6.2597 6.2597 6.4152 6.4152 6.4152 6.4152 6.7628 6.7628 6.7628 6.7628 6.8815 6.8815 6.8815 6.8815 7.2713 7.2713 7.2713 7.2713 7.8889 7.8889 7.8889 7.8889 8.7610 8.7610 8.7610 8.7610 9.7840 9.7840 9.7840 9.7840 10.4264 10.4264 10.4264 10.4264 11.9691 11.9691 11.9691 11.9691 12.9601 12.9601 12.9601 12.9601 k = 0.0000 0.5000 0.0917 ( 5016 PWs) bands (ev): 1.3400 1.3400 1.3400 1.3400 2.1354 2.1354 2.1354 2.1354 4.7970 4.7970 4.7970 4.7970 6.2563 6.2563 6.2563 6.2563 6.4132 6.4132 6.4132 6.4132 6.7649 6.7649 6.7649 6.7649 6.8837 6.8837 6.8837 6.8837 7.2699 7.2699 7.2699 7.2699 7.8261 7.8261 7.8261 7.8261 8.7547 8.7547 8.7547 8.7547 9.8211 9.8211 9.8211 9.8211 10.4456 10.4456 10.4456 10.4456 12.0125 12.0125 12.0125 12.0125 12.9651 12.9651 12.9651 12.9651 k = 0.0000 0.5000 0.1032 ( 5024 PWs) bands (ev): 1.3487 1.3487 1.3487 1.3487 2.1166 2.1166 2.1166 2.1166 4.8315 4.8315 4.8315 4.8315 6.2522 6.2522 6.2522 6.2522 6.4111 6.4111 6.4111 6.4111 6.7672 6.7672 6.7672 6.7672 6.8863 6.8863 6.8863 6.8863 7.2682 7.2682 7.2682 7.2682 7.7633 7.7633 7.7633 7.7633 8.7483 8.7483 8.7483 8.7483 9.8565 9.8565 9.8565 9.8565 10.4656 10.4656 10.4656 10.4656 12.0589 12.0589 12.0589 12.0589 12.9524 12.9524 12.9524 12.9524 k = 0.0000 0.5000 0.1147 ( 5024 PWs) bands (ev): 1.3579 1.3579 1.3579 1.3579 2.0976 2.0976 2.0976 2.0976 4.8667 4.8667 4.8667 4.8667 6.2477 6.2477 6.2477 6.2477 6.4089 6.4089 6.4089 6.4089 6.7697 6.7697 6.7697 6.7697 6.8894 6.8894 6.8894 6.8894 7.2659 7.2659 7.2659 7.2659 7.7022 7.7022 7.7022 7.7022 8.7420 8.7420 8.7420 8.7420 9.8894 9.8894 9.8894 9.8894 10.4858 10.4858 10.4858 10.4858 12.1073 12.1073 12.1073 12.1073 12.9185 12.9185 12.9185 12.9185 k = 0.0000 0.5000 0.1261 ( 5028 PWs) bands (ev): 1.3671 1.3671 1.3671 1.3671 2.0790 2.0790 2.0790 2.0790 4.9017 4.9017 4.9017 4.9017 6.2428 6.2428 6.2428 6.2428 6.4068 6.4068 6.4068 6.4068 6.7721 6.7721 6.7721 6.7721 6.8931 6.8931 6.8931 6.8931 7.2630 7.2630 7.2630 7.2630 7.6444 7.6444 7.6444 7.6444 8.7359 8.7359 8.7359 8.7359 9.9192 9.9192 9.9192 9.9192 10.5057 10.5057 10.5057 10.5057 12.1560 12.1560 12.1560 12.1560 12.8841 12.8841 12.8841 12.8841 k = 0.0000 0.5000 0.1376 ( 5036 PWs) bands (ev): 1.3762 1.3762 1.3762 1.3762 2.0613 2.0613 2.0613 2.0613 4.9354 4.9354 4.9354 4.9354 6.2375 6.2375 6.2375 6.2375 6.4048 6.4048 6.4048 6.4048 6.7745 6.7745 6.7745 6.7745 6.8973 6.8973 6.8973 6.8973 7.2592 7.2592 7.2592 7.2592 7.5914 7.5914 7.5914 7.5914 8.7303 8.7303 8.7303 8.7303 9.9454 9.9454 9.9454 9.9454 10.5246 10.5246 10.5246 10.5246 12.2035 12.2035 12.2035 12.2035 12.8516 12.8517 12.8517 12.8517 k = 0.0000 0.5000 0.1491 ( 5044 PWs) bands (ev): 1.3847 1.3847 1.3847 1.3847 2.0450 2.0450 2.0450 2.0450 4.9666 4.9666 4.9666 4.9666 6.2322 6.2322 6.2322 6.2322 6.4030 6.4030 6.4030 6.4030 6.7767 6.7767 6.7767 6.7767 6.9018 6.9018 6.9018 6.9018 7.2546 7.2546 7.2546 7.2546 7.5447 7.5447 7.5447 7.5447 8.7253 8.7253 8.7253 8.7253 9.9678 9.9678 9.9678 9.9678 10.5419 10.5419 10.5419 10.5419 12.2478 12.2478 12.2478 12.2478 12.8223 12.8223 12.8223 12.8224 k = 0.0000 0.5000 0.1605 ( 5040 PWs) bands (ev): 1.3923 1.3923 1.3923 1.3923 2.0308 2.0308 2.0308 2.0308 4.9941 4.9941 4.9941 4.9941 6.2271 6.2271 6.2271 6.2271 6.4014 6.4014 6.4014 6.4014 6.7787 6.7787 6.7787 6.7787 6.9066 6.9066 6.9066 6.9066 7.2492 7.2492 7.2492 7.2492 7.5055 7.5055 7.5055 7.5055 8.7211 8.7211 8.7211 8.7211 9.9863 9.9863 9.9863 9.9863 10.5569 10.5569 10.5569 10.5569 12.2873 12.2873 12.2873 12.2873 12.7971 12.7971 12.7971 12.7971 k = 0.0000 0.5000 0.1720 ( 5036 PWs) bands (ev): 1.3987 1.3987 1.3987 1.3987 2.0191 2.0191 2.0191 2.0191 5.0170 5.0170 5.0170 5.0170 6.2226 6.2226 6.2226 6.2226 6.4001 6.4001 6.4001 6.4001 6.7804 6.7804 6.7804 6.7804 6.9111 6.9111 6.9111 6.9111 7.2433 7.2433 7.2433 7.2433 7.4749 7.4749 7.4749 7.4749 8.7176 8.7176 8.7176 8.7176 10.0006 10.0006 10.0006 10.0006 10.5693 10.5693 10.5693 10.5693 12.3200 12.3200 12.3200 12.3200 12.7766 12.7766 12.7766 12.7766 k = 0.0000 0.5000 0.1835 ( 5040 PWs) bands (ev): 1.4036 1.4036 1.4036 1.4036 2.0103 2.0103 2.0103 2.0103 5.0341 5.0341 5.0341 5.0341 6.2190 6.2190 6.2190 6.2190 6.3991 6.3991 6.3991 6.3991 6.7816 6.7816 6.7816 6.7816 6.9150 6.9150 6.9150 6.9150 7.2377 7.2377 7.2377 7.2377 7.4531 7.4531 7.4531 7.4531 8.7151 8.7151 8.7151 8.7151 10.0109 10.0109 10.0109 10.0109 10.5785 10.5785 10.5785 10.5785 12.3445 12.3445 12.3445 12.3445 12.7615 12.7615 12.7615 12.7615 k = 0.0000 0.5000 0.1949 ( 5056 PWs) bands (ev): 1.4067 1.4067 1.4067 1.4067 2.0049 2.0049 2.0049 2.0049 5.0448 5.0448 5.0448 5.0448 6.2166 6.2166 6.2166 6.2166 6.3985 6.3985 6.3985 6.3985 6.7823 6.7823 6.7823 6.7823 6.9175 6.9175 6.9175 6.9175 7.2337 7.2337 7.2337 7.2337 7.4403 7.4403 7.4403 7.4403 8.7136 8.7136 8.7136 8.7136 10.0170 10.0170 10.0170 10.0170 10.5842 10.5842 10.5842 10.5842 12.3597 12.3597 12.3597 12.3597 12.7523 12.7523 12.7523 12.7523 k = 0.0000 0.5000 0.2064 ( 5048 PWs) bands (ev): 1.4077 1.4077 1.4077 1.4077 2.0031 2.0031 2.0031 2.0031 5.0484 5.0484 5.0484 5.0484 6.2158 6.2158 6.2158 6.2158 6.3983 6.3983 6.3983 6.3983 6.7826 6.7826 6.7826 6.7826 6.9185 6.9185 6.9185 6.9185 7.2322 7.2322 7.2322 7.2322 7.4360 7.4360 7.4360 7.4360 8.7131 8.7131 8.7131 8.7131 10.0191 10.0191 10.0191 10.0191 10.5861 10.5861 10.5861 10.5861 12.3648 12.3648 12.3648 12.3648 12.7492 12.7492 12.7492 12.7492 k = 0.5000 0.5000-0.0000 ( 5008 PWs) bands (ev): 2.1270 2.1270 2.1270 2.1270 3.3299 3.3299 3.3299 3.3299 4.8141 4.8141 4.8141 4.8141 5.0545 5.0545 5.0545 5.0545 6.5476 6.5476 6.5476 6.5476 6.7677 6.7677 6.7677 6.7677 7.0835 7.0835 7.0835 7.0835 7.4600 7.4600 7.4600 7.4600 7.6317 7.6317 7.6317 7.6317 7.7300 7.7300 7.7300 7.7300 8.3005 8.3005 8.3005 8.3005 8.8904 8.8904 8.8904 8.8904 12.4801 12.4801 12.4801 12.4801 13.2037 13.2037 13.2037 13.2037 k = 0.5000 0.5000 0.0115 ( 5008 PWs) bands (ev): 2.1271 2.1271 2.1271 2.1271 3.3299 3.3299 3.3299 3.3299 4.8141 4.8141 4.8141 4.8141 5.0544 5.0544 5.0544 5.0544 6.5474 6.5474 6.5474 6.5474 6.7643 6.7643 6.7643 6.7643 7.0838 7.0838 7.0838 7.0838 7.4600 7.4600 7.4600 7.4600 7.6318 7.6318 7.6318 7.6318 7.7357 7.7357 7.7357 7.7357 8.2994 8.2994 8.2994 8.2994 8.8906 8.8906 8.8906 8.8906 12.4816 12.4816 12.4816 12.4816 13.1974 13.1974 13.1974 13.1974 k = 0.5000 0.5000 0.0229 ( 5020 PWs) bands (ev): 2.1272 2.1272 2.1272 2.1272 3.3299 3.3299 3.3299 3.3299 4.8142 4.8142 4.8142 4.8142 5.0541 5.0541 5.0541 5.0541 6.5468 6.5468 6.5468 6.5468 6.7543 6.7543 6.7543 6.7543 7.0848 7.0848 7.0848 7.0848 7.4600 7.4600 7.4600 7.4600 7.6322 7.6322 7.6322 7.6322 7.7524 7.7524 7.7524 7.7524 8.2960 8.2960 8.2960 8.2960 8.8914 8.8914 8.8914 8.8914 12.4863 12.4863 12.4863 12.4863 13.1780 13.1780 13.1780 13.1780 k = 0.5000 0.5000 0.0344 ( 5004 PWs) bands (ev): 2.1276 2.1276 2.1276 2.1276 3.3299 3.3299 3.3299 3.3299 4.8142 4.8142 4.8142 4.8142 5.0537 5.0537 5.0537 5.0537 6.5458 6.5458 6.5458 6.5458 6.7386 6.7386 6.7386 6.7386 7.0866 7.0866 7.0866 7.0866 7.4601 7.4601 7.4601 7.4601 7.6330 7.6330 7.6330 7.6330 7.7790 7.7790 7.7790 7.7790 8.2904 8.2904 8.2904 8.2904 8.8926 8.8926 8.8926 8.8926 12.4940 12.4940 12.4940 12.4940 13.1448 13.1448 13.1448 13.1448 k = 0.5000 0.5000 0.0459 ( 5000 PWs) bands (ev): 2.1280 2.1280 2.1280 2.1280 3.3300 3.3300 3.3300 3.3300 4.8142 4.8142 4.8142 4.8142 5.0532 5.0532 5.0532 5.0532 6.5444 6.5444 6.5444 6.5444 6.7186 6.7186 6.7186 6.7186 7.0889 7.0889 7.0889 7.0889 7.4602 7.4602 7.4602 7.4602 7.6343 7.6343 7.6343 7.6343 7.8139 7.8139 7.8139 7.8139 8.2829 8.2829 8.2829 8.2829 8.8942 8.8942 8.8942 8.8942 12.5045 12.5045 12.5045 12.5045 13.0969 13.0969 13.0969 13.0969 k = 0.5000 0.5000 0.0573 ( 5008 PWs) bands (ev): 2.1285 2.1285 2.1285 2.1285 3.3300 3.3300 3.3300 3.3300 4.8143 4.8143 4.8143 4.8143 5.0524 5.0524 5.0524 5.0524 6.5424 6.5424 6.5424 6.5424 6.6956 6.6956 6.6956 6.6956 7.0918 7.0918 7.0918 7.0918 7.4603 7.4603 7.4603 7.4603 7.6360 7.6360 7.6360 7.6360 7.8555 7.8555 7.8555 7.8555 8.2736 8.2736 8.2736 8.2736 8.8961 8.8961 8.8961 8.8961 12.5174 12.5174 12.5174 12.5174 13.0348 13.0348 13.0348 13.0348 k = 0.5000 0.5000 0.0688 ( 5012 PWs) bands (ev): 2.1292 2.1292 2.1292 2.1292 3.3300 3.3300 3.3300 3.3300 4.8144 4.8144 4.8144 4.8144 5.0516 5.0516 5.0516 5.0516 6.5397 6.5397 6.5397 6.5397 6.6711 6.6711 6.6711 6.6711 7.0952 7.0952 7.0952 7.0952 7.4604 7.4604 7.4604 7.4604 7.6382 7.6382 7.6382 7.6382 7.9021 7.9021 7.9021 7.9021 8.2628 8.2628 8.2628 8.2628 8.8983 8.8983 8.8983 8.8983 12.5324 12.5324 12.5324 12.5324 12.9603 12.9603 12.9603 12.9603 k = 0.5000 0.5000 0.0803 ( 5020 PWs) bands (ev): 2.1298 2.1298 2.1298 2.1298 3.3300 3.3300 3.3300 3.3300 4.8144 4.8144 4.8144 4.8144 5.0507 5.0507 5.0507 5.0507 6.5360 6.5360 6.5360 6.5360 6.6466 6.6466 6.6466 6.6466 7.0991 7.0991 7.0991 7.0991 7.4606 7.4606 7.4606 7.4606 7.6409 7.6409 7.6409 7.6409 7.9522 7.9522 7.9522 7.9522 8.2509 8.2509 8.2509 8.2509 8.9006 8.9006 8.9006 8.9006 12.5489 12.5489 12.5489 12.5489 12.8767 12.8767 12.8767 12.8767 k = 0.5000 0.5000 0.0917 ( 5028 PWs) bands (ev): 2.1306 2.1306 2.1306 2.1306 3.3301 3.3301 3.3301 3.3301 4.8145 4.8145 4.8145 4.8145 5.0497 5.0497 5.0497 5.0497 6.5307 6.5307 6.5307 6.5307 6.6236 6.6236 6.6236 6.6236 7.1032 7.1032 7.1032 7.1032 7.4608 7.4608 7.4608 7.4608 7.6439 7.6439 7.6439 7.6439 8.0042 8.0042 8.0042 8.0042 8.2381 8.2381 8.2381 8.2381 8.9030 8.9030 8.9030 8.9030 12.5660 12.5660 12.5660 12.5660 12.7883 12.7883 12.7883 12.7883 k = 0.5000 0.5000 0.1032 ( 5036 PWs) bands (ev): 2.1313 2.1313 2.1313 2.1313 3.3301 3.3301 3.3301 3.3301 4.8146 4.8146 4.8146 4.8146 5.0486 5.0486 5.0486 5.0486 6.5234 6.5234 6.5234 6.5234 6.6035 6.6035 6.6035 6.6035 7.1074 7.1074 7.1074 7.1074 7.4610 7.4610 7.4610 7.4610 7.6472 7.6472 7.6472 7.6472 8.0567 8.0567 8.0567 8.0567 8.2249 8.2249 8.2249 8.2249 8.9053 8.9053 8.9053 8.9053 12.5811 12.5811 12.5811 12.5811 12.7010 12.7010 12.7010 12.7010 k = 0.5000 0.5000 0.1147 ( 5036 PWs) bands (ev): 2.1321 2.1321 2.1321 2.1321 3.3301 3.3301 3.3301 3.3301 4.8147 4.8147 4.8147 4.8147 5.0476 5.0476 5.0476 5.0476 6.5134 6.5134 6.5134 6.5134 6.5876 6.5876 6.5876 6.5876 7.1117 7.1117 7.1117 7.1117 7.4612 7.4612 7.4612 7.4612 7.6507 7.6507 7.6507 7.6507 8.1083 8.1083 8.1083 8.1083 8.2118 8.2118 8.2118 8.2118 8.9076 8.9076 8.9076 8.9076 12.5746 12.5746 12.5746 12.5746 12.6371 12.6371 12.6371 12.6371 k = 0.5000 0.5000 0.1261 ( 5028 PWs) bands (ev): 2.1328 2.1328 2.1328 2.1328 3.3302 3.3302 3.3302 3.3302 4.8148 4.8148 4.8148 4.8148 5.0466 5.0466 5.0466 5.0466 6.5008 6.5008 6.5008 6.5008 6.5762 6.5762 6.5762 6.5762 7.1158 7.1158 7.1158 7.1158 7.4615 7.4615 7.4615 7.4615 7.6543 7.6543 7.6543 7.6543 8.1567 8.1567 8.1567 8.1567 8.1999 8.1999 8.1999 8.1999 8.9097 8.9097 8.9097 8.9097 12.5087 12.5087 12.5087 12.5087 12.6366 12.6366 12.6366 12.6366 k = 0.5000 0.5000 0.1376 ( 5020 PWs) bands (ev): 2.1335 2.1335 2.1335 2.1335 3.3302 3.3302 3.3302 3.3302 4.8148 4.8148 4.8148 4.8148 5.0456 5.0456 5.0456 5.0456 6.4870 6.4870 6.4870 6.4870 6.5686 6.5686 6.5686 6.5686 7.1197 7.1197 7.1197 7.1197 7.4618 7.4618 7.4618 7.4618 7.6579 7.6579 7.6579 7.6579 8.1814 8.1814 8.1814 8.1814 8.2091 8.2091 8.2091 8.2091 8.9116 8.9116 8.9116 8.9116 12.4334 12.4334 12.4334 12.4334 12.6513 12.6513 12.6513 12.6513 k = 0.5000 0.5000 0.1491 ( 5020 PWs) bands (ev): 2.1341 2.1341 2.1341 2.1341 3.3302 3.3302 3.3302 3.3302 4.8149 4.8149 4.8149 4.8149 5.0447 5.0447 5.0447 5.0447 6.4734 6.4734 6.4734 6.4734 6.5636 6.5636 6.5636 6.5636 7.1233 7.1233 7.1233 7.1233 7.4620 7.4620 7.4620 7.4620 7.6614 7.6614 7.6614 7.6614 8.1725 8.1725 8.1725 8.1725 8.2483 8.2483 8.2483 8.2483 8.9133 8.9133 8.9133 8.9133 12.3645 12.3645 12.3645 12.3645 12.6667 12.6667 12.6667 12.6667 k = 0.5000 0.5000 0.1605 ( 5008 PWs) bands (ev): 2.1347 2.1347 2.1347 2.1347 3.3303 3.3303 3.3303 3.3303 4.8150 4.8150 4.8150 4.8150 5.0439 5.0439 5.0439 5.0439 6.4612 6.4612 6.4612 6.4612 6.5602 6.5602 6.5602 6.5602 7.1263 7.1263 7.1263 7.1263 7.4623 7.4623 7.4623 7.4623 7.6645 7.6645 7.6645 7.6645 8.1630 8.1630 8.1630 8.1630 8.2839 8.2839 8.2839 8.2839 8.9147 8.9147 8.9147 8.9147 12.3053 12.3053 12.3053 12.3053 12.6807 12.6807 12.6807 12.6807 k = 0.5000 0.5000 0.1720 ( 5000 PWs) bands (ev): 2.1351 2.1351 2.1351 2.1351 3.3303 3.3303 3.3303 3.3303 4.8150 4.8150 4.8150 4.8150 5.0433 5.0433 5.0433 5.0433 6.4512 6.4512 6.4512 6.4512 6.5580 6.5580 6.5580 6.5580 7.1288 7.1288 7.1288 7.1288 7.4625 7.4625 7.4625 7.4625 7.6672 7.6672 7.6672 7.6672 8.1550 8.1550 8.1550 8.1550 8.3130 8.3130 8.3130 8.3130 8.9158 8.9158 8.9158 8.9158 12.2576 12.2576 12.2576 12.2576 12.6922 12.6922 12.6922 12.6922 k = 0.5000 0.5000 0.1835 ( 5016 PWs) bands (ev): 2.1355 2.1355 2.1355 2.1355 3.3303 3.3303 3.3303 3.3303 4.8151 4.8151 4.8151 4.8151 5.0428 5.0428 5.0428 5.0428 6.4437 6.4437 6.4437 6.4437 6.5565 6.5565 6.5565 6.5565 7.1306 7.1306 7.1306 7.1306 7.4626 7.4626 7.4626 7.4626 7.6692 7.6692 7.6692 7.6692 8.1490 8.1490 8.1490 8.1490 8.3345 8.3345 8.3345 8.3345 8.9166 8.9166 8.9166 8.9166 12.2227 12.2227 12.2227 12.2227 12.7009 12.7009 12.7009 12.7009 k = 0.5000 0.5000 0.1949 ( 5020 PWs) bands (ev): 2.1356 2.1356 2.1356 2.1356 3.3303 3.3303 3.3303 3.3303 4.8151 4.8151 4.8151 4.8151 5.0425 5.0425 5.0425 5.0425 6.4392 6.4392 6.4392 6.4392 6.5557 6.5557 6.5557 6.5557 7.1317 7.1317 7.1317 7.1317 7.4626 7.4626 7.4626 7.4626 7.6705 7.6705 7.6705 7.6705 8.1452 8.1452 8.1452 8.1452 8.3477 8.3477 8.3477 8.3477 8.9171 8.9171 8.9171 8.9171 12.2013 12.2013 12.2013 12.2013 12.7062 12.7062 12.7062 12.7062 k = 0.5000 0.5000 0.2064 ( 5016 PWs) bands (ev): 2.1357 2.1357 2.1357 2.1357 3.3303 3.3303 3.3303 3.3303 4.8151 4.8151 4.8151 4.8151 5.0424 5.0424 5.0424 5.0424 6.4376 6.4376 6.4376 6.4376 6.5554 6.5554 6.5554 6.5554 7.1321 7.1321 7.1321 7.1321 7.4627 7.4627 7.4627 7.4627 7.6709 7.6709 7.6709 7.6709 8.1440 8.1440 8.1440 8.1440 8.3521 8.3521 8.3521 8.3521 8.9173 8.9173 8.9173 8.9173 12.1941 12.1941 12.1941 12.1941 12.7080 12.7080 12.7080 12.7080 Writing output data file ZrSi2Cu.save init_run : 0.59s CPU 0.72s WALL ( 1 calls) electrons : 283.31s CPU 287.62s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.02s WALL ( 1 calls) potinit : 0.02s CPU 0.04s WALL ( 1 calls) Called by electrons: c_bands : 283.30s CPU 287.62s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.08s CPU 0.10s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.06s CPU 0.10s WALL ( 355 calls) cegterg : 260.90s CPU 264.23s WALL ( 862 calls) Called by sum_band: Called by *egterg: h_psi : 128.06s CPU 130.37s WALL ( 14684 calls) s_psi : 15.02s CPU 14.97s WALL ( 14684 calls) g_psi : 0.44s CPU 0.43s WALL ( 13467 calls) cdiaghg : 100.55s CPU 101.53s WALL ( 13822 calls) cegterg:over : 12.08s CPU 12.13s WALL ( 13467 calls) cegterg:upda : 11.48s CPU 11.67s WALL ( 13467 calls) cegterg:last : 5.63s CPU 5.57s WALL ( 1927 calls) cdiaghg:chol : 5.68s CPU 5.81s WALL ( 13822 calls) cdiaghg:inve : 3.97s CPU 3.87s WALL ( 13822 calls) cdiaghg:para : 5.96s CPU 6.04s WALL ( 27644 calls) Called by h_psi: h_psi:vloc : 93.32s CPU 95.44s WALL ( 14684 calls) h_psi:vnl : 34.30s CPU 34.47s WALL ( 14684 calls) add_vuspsi : 18.72s CPU 18.59s WALL ( 14684 calls) General routines calbec : 15.51s CPU 15.83s WALL ( 14684 calls) fft : 0.00s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 86.99s CPU 89.04s WALL ( 1330460 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.26s CPU 0.30s WALL ( 710 calls) Parallel routines fft_scatter : 40.34s CPU 41.68s WALL ( 1330483 calls) PWSCF : 5m 4.37s CPU 5m22.31s WALL This run was terminated on: 17:57:58 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=