Program PWSCF v.5.3.0 (svn rev. 11974) starts on 24Dec2016 at 18:19:21 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: ./CuAgSe.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 31 24 7 1215 824 131 Max 32 25 8 1221 841 137 Sum 1123 877 261 43853 30047 4865 bravais-lattice index = 14 lattice parameter (alat) = 7.6912 a.u. unit-cell volume = 711.4321 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 3 number of electrons = 56.00 number of Kohn-Sham states= 68 kinetic-energy cutoff = 46.0000 Ry charge density cutoff = 237.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.691185 celldm(2)= 1.008600 celldm(3)= 1.550369 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 1.008600 0.000000 ) a(3) = ( 0.000000 0.000000 1.550369 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 0.991474 -0.000000 ) b(3) = ( 0.000000 0.000000 0.645008 ) PseudoPot. # 1 for Se read from file: /users/gautes/Pseudo/Se.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 38611c150961c07dbd63be353364166d Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1211 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for 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 Ag read from file: /users/gautes/Pseudo/Ag.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 30ab375624a706b88a092e30a79375fd 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 1237 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 Se 6.00 78.96000 Se( 1.00) Cu 11.00 63.54600 Cu( 1.00) Ag 11.00 107.86820 Ag( 1.00) 8 Sym. Ops., with inversion, found ( 6 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 ) ( 0.5042998 ) ( 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 ) ( 0.5042998 ) ( 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 inversion cryst. s( 5) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 5) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 6 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 6) = ( 1 0 0 ) f =( -0.5000000 ) ( 0 1 0 ) ( 0.5000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s( 6) = ( 1.0000000 0.0000000 -0.0000000 ) f =( -0.5000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.5042998 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) isym = 7 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s( 7) = ( 1 0 0 ) f =( 0.0000000 ) ( 0 -1 0 ) ( 0.5000000 ) ( 0 0 1 ) ( 0.0000000 ) cart. s( 7) = ( 1.0000000 -0.0000000 0.0000000 ) f =( 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.5042998 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 8 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 8) = ( -1 0 0 ) f =( 0.5000000 ) ( 0 1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.0000000 ) cart. s( 8) = ( -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 ) double point group D_2h (mmm) there are 10 classes and 2 irreducible representations the character table: E -E C2 C2' C2'' i -i s_v s_v' s_v'' -C2 -C2' -C2'' -s_v -s_v' -s_v' G_5+ 2.00 -2.00 0.00 0.00 0.00 2.00 -2.00 0.00 0.00 0.00 G_5- 2.00 -2.00 0.00 0.00 0.00 -2.00 2.00 0.00 0.00 0.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E C2 -C2 2 -2 180 deg rotation - cart. axis [0,0,1] C2' -C2' 3 -3 180 deg rotation - cart. axis [0,1,0] C2'' -C2'' 4 -4 180 deg rotation - cart. axis [1,0,0] i 5 inversion -i -5 inversion E s_v -s_v 6 -6 inv. 180 deg rotation - cart. axis [0,0,1] s_v'-s_v' 7 -7 inv. 180 deg rotation - cart. axis [0,1,0] s_v''-s_v' 8 -8 inv. 180 deg rotation - cart. axis [1,0,0] Cartesian axes number of k points= 424 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023585 k( 2) = ( 0.0128205 -0.0000000 -0.0000000), wk = 0.0023585 k( 3) = ( 0.0256410 -0.0000000 -0.0000000), wk = 0.0023585 k( 4) = ( 0.0384615 -0.0000000 -0.0000000), wk = 0.0023585 k( 5) = ( 0.0512821 -0.0000000 -0.0000000), wk = 0.0023585 k( 6) = ( 0.0641026 -0.0000000 -0.0000000), wk = 0.0023585 k( 7) = ( 0.0769231 -0.0000000 -0.0000000), wk = 0.0023585 k( 8) = ( 0.0897436 -0.0000000 -0.0000000), wk = 0.0023585 k( 9) = ( 0.1025641 -0.0000000 -0.0000000), wk = 0.0023585 k( 10) = ( 0.1153846 -0.0000000 -0.0000000), wk = 0.0023585 k( 11) = ( 0.1282051 -0.0000000 -0.0000000), wk = 0.0023585 k( 12) = ( 0.1410256 -0.0000000 -0.0000000), wk = 0.0023585 k( 13) = ( 0.1538461 -0.0000000 -0.0000000), wk = 0.0023585 k( 14) = ( 0.1666667 -0.0000000 -0.0000000), wk = 0.0023585 k( 15) = ( 0.1794872 -0.0000000 -0.0000000), wk = 0.0023585 k( 16) = ( 0.1923077 -0.0000000 -0.0000000), wk = 0.0023585 k( 17) = ( 0.2051282 -0.0000000 -0.0000000), wk = 0.0023585 k( 18) = ( 0.2179487 -0.0000000 -0.0000000), wk = 0.0023585 k( 19) = ( 0.2307692 -0.0000000 -0.0000000), wk = 0.0023585 k( 20) = ( 0.2435897 -0.0000000 -0.0000000), wk = 0.0023585 k( 21) = ( 0.2564103 -0.0000000 -0.0000000), wk = 0.0023585 k( 22) = ( 0.2692308 -0.0000000 -0.0000000), wk = 0.0023585 k( 23) = ( 0.2820513 -0.0000000 -0.0000000), wk = 0.0023585 k( 24) = ( 0.2948718 -0.0000000 -0.0000000), wk = 0.0023585 k( 25) = ( 0.3076923 -0.0000000 -0.0000000), wk = 0.0023585 k( 26) = ( 0.3205128 -0.0000000 -0.0000000), wk = 0.0023585 k( 27) = ( 0.3333333 -0.0000000 -0.0000000), wk = 0.0023585 k( 28) = ( 0.3461538 -0.0000000 -0.0000000), wk = 0.0023585 k( 29) = ( 0.3589744 -0.0000000 -0.0000000), wk = 0.0023585 k( 30) = ( 0.3717949 -0.0000000 -0.0000000), wk = 0.0023585 k( 31) = ( 0.3846154 -0.0000000 -0.0000000), wk = 0.0023585 k( 32) = ( 0.3974359 -0.0000000 -0.0000000), wk = 0.0023585 k( 33) = ( 0.4102564 -0.0000000 -0.0000000), wk = 0.0023585 k( 34) = ( 0.4230769 -0.0000000 -0.0000000), wk = 0.0023585 k( 35) = ( 0.4358974 -0.0000000 -0.0000000), wk = 0.0023585 k( 36) = ( 0.4487179 -0.0000000 -0.0000000), wk = 0.0023585 k( 37) = ( 0.4615385 -0.0000000 -0.0000000), wk = 0.0023585 k( 38) = ( 0.4743590 -0.0000000 -0.0000000), wk = 0.0023585 k( 39) = ( 0.4871795 -0.0000000 -0.0000000), wk = 0.0023585 k( 40) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0023585 k( 41) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0023585 k( 42) = ( 0.5000000 0.0127112 -0.0000000), wk = 0.0023585 k( 43) = ( 0.5000000 0.0254224 -0.0000000), wk = 0.0023585 k( 44) = ( 0.5000000 0.0381336 -0.0000000), wk = 0.0023585 k( 45) = ( 0.5000000 0.0508448 -0.0000000), wk = 0.0023585 k( 46) = ( 0.5000000 0.0635560 -0.0000000), wk = 0.0023585 k( 47) = ( 0.5000000 0.0762672 -0.0000000), wk = 0.0023585 k( 48) = ( 0.5000000 0.0889784 -0.0000000), wk = 0.0023585 k( 49) = ( 0.5000000 0.1016896 -0.0000000), wk = 0.0023585 k( 50) = ( 0.5000000 0.1144008 -0.0000000), wk = 0.0023585 k( 51) = ( 0.5000000 0.1271120 -0.0000000), wk = 0.0023585 k( 52) = ( 0.5000000 0.1398232 -0.0000000), wk = 0.0023585 k( 53) = ( 0.5000000 0.1525344 -0.0000000), wk = 0.0023585 k( 54) = ( 0.5000000 0.1652456 -0.0000000), wk = 0.0023585 k( 55) = ( 0.5000000 0.1779568 -0.0000000), wk = 0.0023585 k( 56) = ( 0.5000000 0.1906680 -0.0000000), wk = 0.0023585 k( 57) = ( 0.5000000 0.2033792 -0.0000000), wk = 0.0023585 k( 58) = ( 0.5000000 0.2160904 -0.0000000), wk = 0.0023585 k( 59) = ( 0.5000000 0.2288016 -0.0000000), wk = 0.0023585 k( 60) = ( 0.5000000 0.2415128 -0.0000000), wk = 0.0023585 k( 61) = ( 0.5000000 0.2542241 -0.0000000), wk = 0.0023585 k( 62) = ( 0.5000000 0.2669353 -0.0000000), wk = 0.0023585 k( 63) = ( 0.5000000 0.2796465 -0.0000000), wk = 0.0023585 k( 64) = ( 0.5000000 0.2923577 -0.0000000), wk = 0.0023585 k( 65) = ( 0.5000000 0.3050689 -0.0000000), wk = 0.0023585 k( 66) = ( 0.5000000 0.3177801 -0.0000000), wk = 0.0023585 k( 67) = ( 0.5000000 0.3304913 -0.0000000), wk = 0.0023585 k( 68) = ( 0.5000000 0.3432025 -0.0000000), wk = 0.0023585 k( 69) = ( 0.5000000 0.3559137 -0.0000000), wk = 0.0023585 k( 70) = ( 0.5000000 0.3686249 -0.0000000), wk = 0.0023585 k( 71) = ( 0.5000000 0.3813361 -0.0000000), wk = 0.0023585 k( 72) = ( 0.5000000 0.3940473 -0.0000000), wk = 0.0023585 k( 73) = ( 0.5000000 0.4067585 -0.0000000), wk = 0.0023585 k( 74) = ( 0.5000000 0.4194697 -0.0000000), wk = 0.0023585 k( 75) = ( 0.5000000 0.4321809 -0.0000000), wk = 0.0023585 k( 76) = ( 0.5000000 0.4448921 -0.0000000), wk = 0.0023585 k( 77) = ( 0.5000000 0.4576033 -0.0000000), wk = 0.0023585 k( 78) = ( 0.5000000 0.4703145 -0.0000000), wk = 0.0023585 k( 79) = ( 0.5000000 0.4830257 -0.0000000), wk = 0.0023585 k( 80) = ( 0.5000000 0.4957369 -0.0000000), wk = 0.0023585 k( 81) = ( 0.5000000 0.4957369 -0.0000000), wk = 0.0023585 k( 82) = ( 0.4871795 0.4957369 -0.0000000), wk = 0.0023585 k( 83) = ( 0.4743590 0.4957369 -0.0000000), wk = 0.0023585 k( 84) = ( 0.4615385 0.4957369 -0.0000000), wk = 0.0023585 k( 85) = ( 0.4487179 0.4957369 -0.0000000), wk = 0.0023585 k( 86) = ( 0.4358974 0.4957369 -0.0000000), wk = 0.0023585 k( 87) = ( 0.4230769 0.4957369 -0.0000000), wk = 0.0023585 k( 88) = ( 0.4102564 0.4957369 -0.0000000), wk = 0.0023585 k( 89) = ( 0.3974359 0.4957369 -0.0000000), wk = 0.0023585 k( 90) = ( 0.3846154 0.4957369 -0.0000000), wk = 0.0023585 k( 91) = ( 0.3717949 0.4957369 -0.0000000), wk = 0.0023585 k( 92) = ( 0.3589744 0.4957369 -0.0000000), wk = 0.0023585 k( 93) = ( 0.3461538 0.4957369 -0.0000000), wk = 0.0023585 k( 94) = ( 0.3333333 0.4957369 -0.0000000), wk = 0.0023585 k( 95) = ( 0.3205128 0.4957369 -0.0000000), wk = 0.0023585 k( 96) = ( 0.3076923 0.4957369 -0.0000000), wk = 0.0023585 k( 97) = ( 0.2948718 0.4957369 -0.0000000), wk = 0.0023585 k( 98) = ( 0.2820513 0.4957369 -0.0000000), wk = 0.0023585 k( 99) = ( 0.2692308 0.4957369 -0.0000000), wk = 0.0023585 k( 100) = ( 0.2564103 0.4957369 -0.0000000), wk = 0.0023585 k( 101) = ( 0.2435897 0.4957369 -0.0000000), wk = 0.0023585 k( 102) = ( 0.2307692 0.4957369 -0.0000000), wk = 0.0023585 k( 103) = ( 0.2179487 0.4957369 -0.0000000), wk = 0.0023585 k( 104) = ( 0.2051282 0.4957369 -0.0000000), wk = 0.0023585 k( 105) = ( 0.1923077 0.4957369 -0.0000000), wk = 0.0023585 k( 106) = ( 0.1794872 0.4957369 -0.0000000), wk = 0.0023585 k( 107) = ( 0.1666667 0.4957369 -0.0000000), wk = 0.0023585 k( 108) = ( 0.1538461 0.4957369 -0.0000000), wk = 0.0023585 k( 109) = ( 0.1410256 0.4957369 -0.0000000), wk = 0.0023585 k( 110) = ( 0.1282051 0.4957369 -0.0000000), wk = 0.0023585 k( 111) = ( 0.1153846 0.4957369 -0.0000000), wk = 0.0023585 k( 112) = ( 0.1025641 0.4957369 -0.0000000), wk = 0.0023585 k( 113) = ( 0.0897436 0.4957369 -0.0000000), wk = 0.0023585 k( 114) = ( 0.0769231 0.4957369 -0.0000000), wk = 0.0023585 k( 115) = ( 0.0641026 0.4957369 -0.0000000), wk = 0.0023585 k( 116) = ( 0.0512821 0.4957369 -0.0000000), wk = 0.0023585 k( 117) = ( 0.0384615 0.4957369 -0.0000000), wk = 0.0023585 k( 118) = ( 0.0256410 0.4957369 -0.0000000), wk = 0.0023585 k( 119) = ( 0.0128205 0.4957369 -0.0000000), wk = 0.0023585 k( 120) = ( 0.0000000 0.4957369 -0.0000000), wk = 0.0023585 k( 121) = ( 0.0000000 0.4957369 -0.0000000), wk = 0.0023585 k( 122) = ( 0.0000000 0.4830257 -0.0000000), wk = 0.0023585 k( 123) = ( 0.0000000 0.4703145 -0.0000000), wk = 0.0023585 k( 124) = ( 0.0000000 0.4576033 -0.0000000), wk = 0.0023585 k( 125) = ( 0.0000000 0.4448921 -0.0000000), wk = 0.0023585 k( 126) = ( 0.0000000 0.4321809 -0.0000000), wk = 0.0023585 k( 127) = ( 0.0000000 0.4194697 -0.0000000), wk = 0.0023585 k( 128) = ( 0.0000000 0.4067585 -0.0000000), wk = 0.0023585 k( 129) = ( 0.0000000 0.3940473 -0.0000000), wk = 0.0023585 k( 130) = ( 0.0000000 0.3813361 -0.0000000), wk = 0.0023585 k( 131) = ( 0.0000000 0.3686249 -0.0000000), wk = 0.0023585 k( 132) = ( 0.0000000 0.3559137 -0.0000000), wk = 0.0023585 k( 133) = ( 0.0000000 0.3432025 -0.0000000), wk = 0.0023585 k( 134) = ( 0.0000000 0.3304913 -0.0000000), wk = 0.0023585 k( 135) = ( 0.0000000 0.3177801 -0.0000000), wk = 0.0023585 k( 136) = ( 0.0000000 0.3050689 -0.0000000), wk = 0.0023585 k( 137) = ( 0.0000000 0.2923577 -0.0000000), wk = 0.0023585 k( 138) = ( 0.0000000 0.2796465 -0.0000000), wk = 0.0023585 k( 139) = ( 0.0000000 0.2669353 -0.0000000), wk = 0.0023585 k( 140) = ( 0.0000000 0.2542241 -0.0000000), wk = 0.0023585 k( 141) = ( 0.0000000 0.2415128 -0.0000000), wk = 0.0023585 k( 142) = ( 0.0000000 0.2288016 -0.0000000), wk = 0.0023585 k( 143) = ( 0.0000000 0.2160904 -0.0000000), wk = 0.0023585 k( 144) = ( 0.0000000 0.2033792 -0.0000000), wk = 0.0023585 k( 145) = ( 0.0000000 0.1906680 -0.0000000), wk = 0.0023585 k( 146) = ( 0.0000000 0.1779568 -0.0000000), wk = 0.0023585 k( 147) = ( 0.0000000 0.1652456 -0.0000000), wk = 0.0023585 k( 148) = ( 0.0000000 0.1525344 -0.0000000), wk = 0.0023585 k( 149) = ( 0.0000000 0.1398232 -0.0000000), wk = 0.0023585 k( 150) = ( 0.0000000 0.1271120 -0.0000000), wk = 0.0023585 k( 151) = ( 0.0000000 0.1144008 -0.0000000), wk = 0.0023585 k( 152) = ( 0.0000000 0.1016896 -0.0000000), wk = 0.0023585 k( 153) = ( 0.0000000 0.0889784 -0.0000000), wk = 0.0023585 k( 154) = ( 0.0000000 0.0762672 -0.0000000), wk = 0.0023585 k( 155) = ( 0.0000000 0.0635560 -0.0000000), wk = 0.0023585 k( 156) = ( 0.0000000 0.0508448 -0.0000000), wk = 0.0023585 k( 157) = ( 0.0000000 0.0381336 -0.0000000), wk = 0.0023585 k( 158) = ( 0.0000000 0.0254224 -0.0000000), wk = 0.0023585 k( 159) = ( 0.0000000 0.0127112 -0.0000000), wk = 0.0023585 k( 160) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023585 k( 161) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023585 k( 162) = ( 0.0000000 0.0000000 0.0129002), wk = 0.0023585 k( 163) = ( 0.0000000 0.0000000 0.0258003), wk = 0.0023585 k( 164) = ( 0.0000000 0.0000000 0.0387005), wk = 0.0023585 k( 165) = ( 0.0000000 0.0000000 0.0516006), wk = 0.0023585 k( 166) = ( 0.0000000 0.0000000 0.0645008), wk = 0.0023585 k( 167) = ( 0.0000000 0.0000000 0.0774010), wk = 0.0023585 k( 168) = ( 0.0000000 0.0000000 0.0903011), wk = 0.0023585 k( 169) = ( 0.0000000 0.0000000 0.1032013), wk = 0.0023585 k( 170) = ( 0.0000000 0.0000000 0.1161014), wk = 0.0023585 k( 171) = ( 0.0000000 0.0000000 0.1290016), wk = 0.0023585 k( 172) = ( 0.0000000 0.0000000 0.1419017), wk = 0.0023585 k( 173) = ( 0.0000000 0.0000000 0.1548019), wk = 0.0023585 k( 174) = ( 0.0000000 0.0000000 0.1677021), wk = 0.0023585 k( 175) = ( 0.0000000 0.0000000 0.1806022), wk = 0.0023585 k( 176) = ( 0.0000000 0.0000000 0.1935024), wk = 0.0023585 k( 177) = ( 0.0000000 0.0000000 0.2064025), wk = 0.0023585 k( 178) = ( 0.0000000 0.0000000 0.2193027), wk = 0.0023585 k( 179) = ( 0.0000000 0.0000000 0.2322029), wk = 0.0023585 k( 180) = ( 0.0000000 0.0000000 0.2451030), wk = 0.0023585 k( 181) = ( 0.0000000 0.0000000 0.2580032), wk = 0.0023585 k( 182) = ( 0.0000000 0.0000000 0.2709033), wk = 0.0023585 k( 183) = ( 0.0000000 0.0000000 0.2838035), wk = 0.0023585 k( 184) = ( 0.0000000 0.0000000 0.2967036), wk = 0.0023585 k( 185) = ( 0.0000000 0.0000000 0.3096038), wk = 0.0023585 k( 186) = ( 0.0000000 0.0000000 0.3225040), wk = 0.0023585 k( 187) = ( 0.0000000 0.0000000 0.3225040), wk = 0.0023585 k( 188) = ( 0.0128205 -0.0000000 0.3225040), wk = 0.0023585 k( 189) = ( 0.0256410 -0.0000000 0.3225040), wk = 0.0023585 k( 190) = ( 0.0384615 -0.0000000 0.3225040), wk = 0.0023585 k( 191) = ( 0.0512821 -0.0000000 0.3225040), wk = 0.0023585 k( 192) = ( 0.0641026 -0.0000000 0.3225040), wk = 0.0023585 k( 193) = ( 0.0769231 -0.0000000 0.3225040), wk = 0.0023585 k( 194) = ( 0.0897436 -0.0000000 0.3225040), wk = 0.0023585 k( 195) = ( 0.1025641 -0.0000000 0.3225040), wk = 0.0023585 k( 196) = ( 0.1153846 -0.0000000 0.3225040), wk = 0.0023585 k( 197) = ( 0.1282051 -0.0000000 0.3225040), wk = 0.0023585 k( 198) = ( 0.1410256 -0.0000000 0.3225040), wk = 0.0023585 k( 199) = ( 0.1538461 -0.0000000 0.3225040), wk = 0.0023585 k( 200) = ( 0.1666667 -0.0000000 0.3225040), wk = 0.0023585 k( 201) = ( 0.1794872 -0.0000000 0.3225040), wk = 0.0023585 k( 202) = ( 0.1923077 -0.0000000 0.3225040), wk = 0.0023585 k( 203) = ( 0.2051282 -0.0000000 0.3225040), wk = 0.0023585 k( 204) = ( 0.2179487 -0.0000000 0.3225040), wk = 0.0023585 k( 205) = ( 0.2307692 -0.0000000 0.3225040), wk = 0.0023585 k( 206) = ( 0.2435897 -0.0000000 0.3225040), wk = 0.0023585 k( 207) = ( 0.2564103 -0.0000000 0.3225040), wk = 0.0023585 k( 208) = ( 0.2692308 -0.0000000 0.3225040), wk = 0.0023585 k( 209) = ( 0.2820513 -0.0000000 0.3225040), wk = 0.0023585 k( 210) = ( 0.2948718 -0.0000000 0.3225040), wk = 0.0023585 k( 211) = ( 0.3076923 -0.0000000 0.3225040), wk = 0.0023585 k( 212) = ( 0.3205128 -0.0000000 0.3225040), wk = 0.0023585 k( 213) = ( 0.3333333 -0.0000000 0.3225040), wk = 0.0023585 k( 214) = ( 0.3461538 -0.0000000 0.3225040), wk = 0.0023585 k( 215) = ( 0.3589744 -0.0000000 0.3225040), wk = 0.0023585 k( 216) = ( 0.3717949 -0.0000000 0.3225040), wk = 0.0023585 k( 217) = ( 0.3846154 -0.0000000 0.3225040), wk = 0.0023585 k( 218) = ( 0.3974359 -0.0000000 0.3225040), wk = 0.0023585 k( 219) = ( 0.4102564 -0.0000000 0.3225040), wk = 0.0023585 k( 220) = ( 0.4230769 -0.0000000 0.3225040), wk = 0.0023585 k( 221) = ( 0.4358974 -0.0000000 0.3225040), wk = 0.0023585 k( 222) = ( 0.4487179 -0.0000000 0.3225040), wk = 0.0023585 k( 223) = ( 0.4615385 -0.0000000 0.3225040), wk = 0.0023585 k( 224) = ( 0.4743590 -0.0000000 0.3225040), wk = 0.0023585 k( 225) = ( 0.4871795 -0.0000000 0.3225040), wk = 0.0023585 k( 226) = ( 0.5000000 -0.0000000 0.3225040), wk = 0.0023585 k( 227) = ( 0.5000000 -0.0000000 0.3225040), wk = 0.0023585 k( 228) = ( 0.5000000 0.0127112 0.3225040), wk = 0.0023585 k( 229) = ( 0.5000000 0.0254224 0.3225040), wk = 0.0023585 k( 230) = ( 0.5000000 0.0381336 0.3225040), wk = 0.0023585 k( 231) = ( 0.5000000 0.0508448 0.3225040), wk = 0.0023585 k( 232) = ( 0.5000000 0.0635560 0.3225040), wk = 0.0023585 k( 233) = ( 0.5000000 0.0762672 0.3225040), wk = 0.0023585 k( 234) = ( 0.5000000 0.0889784 0.3225040), wk = 0.0023585 k( 235) = ( 0.5000000 0.1016896 0.3225040), wk = 0.0023585 k( 236) = ( 0.5000000 0.1144008 0.3225040), wk = 0.0023585 k( 237) = ( 0.5000000 0.1271120 0.3225040), wk = 0.0023585 k( 238) = ( 0.5000000 0.1398232 0.3225040), wk = 0.0023585 k( 239) = ( 0.5000000 0.1525344 0.3225040), wk = 0.0023585 k( 240) = ( 0.5000000 0.1652456 0.3225040), wk = 0.0023585 k( 241) = ( 0.5000000 0.1779568 0.3225040), wk = 0.0023585 k( 242) = ( 0.5000000 0.1906680 0.3225040), wk = 0.0023585 k( 243) = ( 0.5000000 0.2033792 0.3225040), wk = 0.0023585 k( 244) = ( 0.5000000 0.2160904 0.3225040), wk = 0.0023585 k( 245) = ( 0.5000000 0.2288016 0.3225040), wk = 0.0023585 k( 246) = ( 0.5000000 0.2415128 0.3225040), wk = 0.0023585 k( 247) = ( 0.5000000 0.2542241 0.3225040), wk = 0.0023585 k( 248) = ( 0.5000000 0.2669353 0.3225040), wk = 0.0023585 k( 249) = ( 0.5000000 0.2796465 0.3225040), wk = 0.0023585 k( 250) = ( 0.5000000 0.2923577 0.3225040), wk = 0.0023585 k( 251) = ( 0.5000000 0.3050689 0.3225040), wk = 0.0023585 k( 252) = ( 0.5000000 0.3177801 0.3225040), wk = 0.0023585 k( 253) = ( 0.5000000 0.3304913 0.3225040), wk = 0.0023585 k( 254) = ( 0.5000000 0.3432025 0.3225040), wk = 0.0023585 k( 255) = ( 0.5000000 0.3559137 0.3225040), wk = 0.0023585 k( 256) = ( 0.5000000 0.3686249 0.3225040), wk = 0.0023585 k( 257) = ( 0.5000000 0.3813361 0.3225040), wk = 0.0023585 k( 258) = ( 0.5000000 0.3940473 0.3225040), wk = 0.0023585 k( 259) = ( 0.5000000 0.4067585 0.3225040), wk = 0.0023585 k( 260) = ( 0.5000000 0.4194697 0.3225040), wk = 0.0023585 k( 261) = ( 0.5000000 0.4321809 0.3225040), wk = 0.0023585 k( 262) = ( 0.5000000 0.4448921 0.3225040), wk = 0.0023585 k( 263) = ( 0.5000000 0.4576033 0.3225040), wk = 0.0023585 k( 264) = ( 0.5000000 0.4703145 0.3225040), wk = 0.0023585 k( 265) = ( 0.5000000 0.4830257 0.3225040), wk = 0.0023585 k( 266) = ( 0.5000000 0.4957369 0.3225040), wk = 0.0023585 k( 267) = ( 0.5000000 0.4957369 0.3225040), wk = 0.0023585 k( 268) = ( 0.4871795 0.4957369 0.3225040), wk = 0.0023585 k( 269) = ( 0.4743590 0.4957369 0.3225040), wk = 0.0023585 k( 270) = ( 0.4615385 0.4957369 0.3225040), wk = 0.0023585 k( 271) = ( 0.4487179 0.4957369 0.3225040), wk = 0.0023585 k( 272) = ( 0.4358974 0.4957369 0.3225040), wk = 0.0023585 k( 273) = ( 0.4230769 0.4957369 0.3225040), wk = 0.0023585 k( 274) = ( 0.4102564 0.4957369 0.3225040), wk = 0.0023585 k( 275) = ( 0.3974359 0.4957369 0.3225040), wk = 0.0023585 k( 276) = ( 0.3846154 0.4957369 0.3225040), wk = 0.0023585 k( 277) = ( 0.3717949 0.4957369 0.3225040), wk = 0.0023585 k( 278) = ( 0.3589744 0.4957369 0.3225040), wk = 0.0023585 k( 279) = ( 0.3461538 0.4957369 0.3225040), wk = 0.0023585 k( 280) = ( 0.3333333 0.4957369 0.3225040), wk = 0.0023585 k( 281) = ( 0.3205128 0.4957369 0.3225040), wk = 0.0023585 k( 282) = ( 0.3076923 0.4957369 0.3225040), wk = 0.0023585 k( 283) = ( 0.2948718 0.4957369 0.3225040), wk = 0.0023585 k( 284) = ( 0.2820513 0.4957369 0.3225040), wk = 0.0023585 k( 285) = ( 0.2692308 0.4957369 0.3225040), wk = 0.0023585 k( 286) = ( 0.2564103 0.4957369 0.3225040), wk = 0.0023585 k( 287) = ( 0.2435897 0.4957369 0.3225040), wk = 0.0023585 k( 288) = ( 0.2307692 0.4957369 0.3225040), wk = 0.0023585 k( 289) = ( 0.2179487 0.4957369 0.3225040), wk = 0.0023585 k( 290) = ( 0.2051282 0.4957369 0.3225040), wk = 0.0023585 k( 291) = ( 0.1923077 0.4957369 0.3225040), wk = 0.0023585 k( 292) = ( 0.1794872 0.4957369 0.3225040), wk = 0.0023585 k( 293) = ( 0.1666667 0.4957369 0.3225040), wk = 0.0023585 k( 294) = ( 0.1538461 0.4957369 0.3225040), wk = 0.0023585 k( 295) = ( 0.1410256 0.4957369 0.3225040), wk = 0.0023585 k( 296) = ( 0.1282051 0.4957369 0.3225040), wk = 0.0023585 k( 297) = ( 0.1153846 0.4957369 0.3225040), wk = 0.0023585 k( 298) = ( 0.1025641 0.4957369 0.3225040), wk = 0.0023585 k( 299) = ( 0.0897436 0.4957369 0.3225040), wk = 0.0023585 k( 300) = ( 0.0769231 0.4957369 0.3225040), wk = 0.0023585 k( 301) = ( 0.0641026 0.4957369 0.3225040), wk = 0.0023585 k( 302) = ( 0.0512821 0.4957369 0.3225040), wk = 0.0023585 k( 303) = ( 0.0384615 0.4957369 0.3225040), wk = 0.0023585 k( 304) = ( 0.0256410 0.4957369 0.3225040), wk = 0.0023585 k( 305) = ( 0.0128205 0.4957369 0.3225040), wk = 0.0023585 k( 306) = ( 0.0000000 0.4957369 0.3225040), wk = 0.0023585 k( 307) = ( 0.0000000 0.4957369 0.3225040), wk = 0.0023585 k( 308) = ( 0.0000000 0.4830257 0.3225040), wk = 0.0023585 k( 309) = ( 0.0000000 0.4703145 0.3225040), wk = 0.0023585 k( 310) = ( 0.0000000 0.4576033 0.3225040), wk = 0.0023585 k( 311) = ( 0.0000000 0.4448921 0.3225040), wk = 0.0023585 k( 312) = ( 0.0000000 0.4321809 0.3225040), wk = 0.0023585 k( 313) = ( 0.0000000 0.4194697 0.3225040), wk = 0.0023585 k( 314) = ( 0.0000000 0.4067585 0.3225040), wk = 0.0023585 k( 315) = ( 0.0000000 0.3940473 0.3225040), wk = 0.0023585 k( 316) = ( 0.0000000 0.3813361 0.3225040), wk = 0.0023585 k( 317) = ( 0.0000000 0.3686249 0.3225040), wk = 0.0023585 k( 318) = ( 0.0000000 0.3559137 0.3225040), wk = 0.0023585 k( 319) = ( 0.0000000 0.3432025 0.3225040), wk = 0.0023585 k( 320) = ( 0.0000000 0.3304913 0.3225040), wk = 0.0023585 k( 321) = ( 0.0000000 0.3177801 0.3225040), wk = 0.0023585 k( 322) = ( 0.0000000 0.3050689 0.3225040), wk = 0.0023585 k( 323) = ( 0.0000000 0.2923577 0.3225040), wk = 0.0023585 k( 324) = ( 0.0000000 0.2796465 0.3225040), wk = 0.0023585 k( 325) = ( 0.0000000 0.2669353 0.3225040), wk = 0.0023585 k( 326) = ( 0.0000000 0.2542241 0.3225040), wk = 0.0023585 k( 327) = ( 0.0000000 0.2415128 0.3225040), wk = 0.0023585 k( 328) = ( 0.0000000 0.2288016 0.3225040), wk = 0.0023585 k( 329) = ( 0.0000000 0.2160904 0.3225040), wk = 0.0023585 k( 330) = ( 0.0000000 0.2033792 0.3225040), wk = 0.0023585 k( 331) = ( 0.0000000 0.1906680 0.3225040), wk = 0.0023585 k( 332) = ( 0.0000000 0.1779568 0.3225040), wk = 0.0023585 k( 333) = ( 0.0000000 0.1652456 0.3225040), wk = 0.0023585 k( 334) = ( 0.0000000 0.1525344 0.3225040), wk = 0.0023585 k( 335) = ( 0.0000000 0.1398232 0.3225040), wk = 0.0023585 k( 336) = ( 0.0000000 0.1271120 0.3225040), wk = 0.0023585 k( 337) = ( 0.0000000 0.1144008 0.3225040), wk = 0.0023585 k( 338) = ( 0.0000000 0.1016896 0.3225040), wk = 0.0023585 k( 339) = ( 0.0000000 0.0889784 0.3225040), wk = 0.0023585 k( 340) = ( 0.0000000 0.0762672 0.3225040), wk = 0.0023585 k( 341) = ( 0.0000000 0.0635560 0.3225040), wk = 0.0023585 k( 342) = ( 0.0000000 0.0508448 0.3225040), wk = 0.0023585 k( 343) = ( 0.0000000 0.0381336 0.3225040), wk = 0.0023585 k( 344) = ( 0.0000000 0.0254224 0.3225040), wk = 0.0023585 k( 345) = ( 0.0000000 0.0127112 0.3225040), wk = 0.0023585 k( 346) = ( 0.0000000 0.0000000 0.3225040), wk = 0.0023585 k( 347) = ( 0.0000000 0.4957369 -0.0000000), wk = 0.0023585 k( 348) = ( 0.0000000 0.4957369 0.0129002), wk = 0.0023585 k( 349) = ( 0.0000000 0.4957369 0.0258003), wk = 0.0023585 k( 350) = ( 0.0000000 0.4957369 0.0387005), wk = 0.0023585 k( 351) = ( 0.0000000 0.4957369 0.0516006), wk = 0.0023585 k( 352) = ( 0.0000000 0.4957369 0.0645008), wk = 0.0023585 k( 353) = ( 0.0000000 0.4957369 0.0774010), wk = 0.0023585 k( 354) = ( 0.0000000 0.4957369 0.0903011), wk = 0.0023585 k( 355) = ( 0.0000000 0.4957369 0.1032013), wk = 0.0023585 k( 356) = ( 0.0000000 0.4957369 0.1161014), wk = 0.0023585 k( 357) = ( 0.0000000 0.4957369 0.1290016), wk = 0.0023585 k( 358) = ( 0.0000000 0.4957369 0.1419017), wk = 0.0023585 k( 359) = ( 0.0000000 0.4957369 0.1548019), wk = 0.0023585 k( 360) = ( 0.0000000 0.4957369 0.1677021), wk = 0.0023585 k( 361) = ( 0.0000000 0.4957369 0.1806022), wk = 0.0023585 k( 362) = ( 0.0000000 0.4957369 0.1935024), wk = 0.0023585 k( 363) = ( 0.0000000 0.4957369 0.2064025), wk = 0.0023585 k( 364) = ( 0.0000000 0.4957369 0.2193027), wk = 0.0023585 k( 365) = ( 0.0000000 0.4957369 0.2322029), wk = 0.0023585 k( 366) = ( 0.0000000 0.4957369 0.2451030), wk = 0.0023585 k( 367) = ( 0.0000000 0.4957369 0.2580032), wk = 0.0023585 k( 368) = ( 0.0000000 0.4957369 0.2709033), wk = 0.0023585 k( 369) = ( 0.0000000 0.4957369 0.2838035), wk = 0.0023585 k( 370) = ( 0.0000000 0.4957369 0.2967036), wk = 0.0023585 k( 371) = ( 0.0000000 0.4957369 0.3096038), wk = 0.0023585 k( 372) = ( 0.0000000 0.4957369 0.3225040), wk = 0.0023585 k( 373) = ( 0.5000000 -0.0000000 0.3225040), wk = 0.0023585 k( 374) = ( 0.5000000 -0.0000000 0.3096038), wk = 0.0023585 k( 375) = ( 0.5000000 -0.0000000 0.2967036), wk = 0.0023585 k( 376) = ( 0.5000000 -0.0000000 0.2838035), wk = 0.0023585 k( 377) = ( 0.5000000 -0.0000000 0.2709033), wk = 0.0023585 k( 378) = ( 0.5000000 -0.0000000 0.2580032), wk = 0.0023585 k( 379) = ( 0.5000000 -0.0000000 0.2451030), wk = 0.0023585 k( 380) = ( 0.5000000 -0.0000000 0.2322029), wk = 0.0023585 k( 381) = ( 0.5000000 -0.0000000 0.2193027), wk = 0.0023585 k( 382) = ( 0.5000000 -0.0000000 0.2064025), wk = 0.0023585 k( 383) = ( 0.5000000 -0.0000000 0.1935024), wk = 0.0023585 k( 384) = ( 0.5000000 -0.0000000 0.1806022), wk = 0.0023585 k( 385) = ( 0.5000000 -0.0000000 0.1677021), wk = 0.0023585 k( 386) = ( 0.5000000 -0.0000000 0.1548019), wk = 0.0023585 k( 387) = ( 0.5000000 -0.0000000 0.1419017), wk = 0.0023585 k( 388) = ( 0.5000000 -0.0000000 0.1290016), wk = 0.0023585 k( 389) = ( 0.5000000 -0.0000000 0.1161014), wk = 0.0023585 k( 390) = ( 0.5000000 -0.0000000 0.1032013), wk = 0.0023585 k( 391) = ( 0.5000000 -0.0000000 0.0903011), wk = 0.0023585 k( 392) = ( 0.5000000 -0.0000000 0.0774010), wk = 0.0023585 k( 393) = ( 0.5000000 -0.0000000 0.0645008), wk = 0.0023585 k( 394) = ( 0.5000000 -0.0000000 0.0516006), wk = 0.0023585 k( 395) = ( 0.5000000 -0.0000000 0.0387005), wk = 0.0023585 k( 396) = ( 0.5000000 -0.0000000 0.0258003), wk = 0.0023585 k( 397) = ( 0.5000000 -0.0000000 0.0129002), wk = 0.0023585 k( 398) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0023585 k( 399) = ( 0.5000000 0.4957369 -0.0000000), wk = 0.0023585 k( 400) = ( 0.5000000 0.4957369 0.0129002), wk = 0.0023585 k( 401) = ( 0.5000000 0.4957369 0.0258003), wk = 0.0023585 k( 402) = ( 0.5000000 0.4957369 0.0387005), wk = 0.0023585 k( 403) = ( 0.5000000 0.4957369 0.0516006), wk = 0.0023585 k( 404) = ( 0.5000000 0.4957369 0.0645008), wk = 0.0023585 k( 405) = ( 0.5000000 0.4957369 0.0774010), wk = 0.0023585 k( 406) = ( 0.5000000 0.4957369 0.0903011), wk = 0.0023585 k( 407) = ( 0.5000000 0.4957369 0.1032013), wk = 0.0023585 k( 408) = ( 0.5000000 0.4957369 0.1161014), wk = 0.0023585 k( 409) = ( 0.5000000 0.4957369 0.1290016), wk = 0.0023585 k( 410) = ( 0.5000000 0.4957369 0.1419017), wk = 0.0023585 k( 411) = ( 0.5000000 0.4957369 0.1548019), wk = 0.0023585 k( 412) = ( 0.5000000 0.4957369 0.1677021), wk = 0.0023585 k( 413) = ( 0.5000000 0.4957369 0.1806022), wk = 0.0023585 k( 414) = ( 0.5000000 0.4957369 0.1935024), wk = 0.0023585 k( 415) = ( 0.5000000 0.4957369 0.2064025), wk = 0.0023585 k( 416) = ( 0.5000000 0.4957369 0.2193027), wk = 0.0023585 k( 417) = ( 0.5000000 0.4957369 0.2322029), wk = 0.0023585 k( 418) = ( 0.5000000 0.4957369 0.2451030), wk = 0.0023585 k( 419) = ( 0.5000000 0.4957369 0.2580032), wk = 0.0023585 k( 420) = ( 0.5000000 0.4957369 0.2709033), wk = 0.0023585 k( 421) = ( 0.5000000 0.4957369 0.2838035), wk = 0.0023585 k( 422) = ( 0.5000000 0.4957369 0.2967036), wk = 0.0023585 k( 423) = ( 0.5000000 0.4957369 0.3096038), wk = 0.0023585 k( 424) = ( 0.5000000 0.4957369 0.3225040), wk = 0.0023585 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023585 k( 2) = ( 0.0128205 -0.0000000 0.0000000), wk = 0.0023585 k( 3) = ( 0.0256410 0.0000000 0.0000000), wk = 0.0023585 k( 4) = ( 0.0384615 -0.0000000 0.0000000), wk = 0.0023585 k( 5) = ( 0.0512821 0.0000000 0.0000000), wk = 0.0023585 k( 6) = ( 0.0641026 -0.0000000 0.0000000), wk = 0.0023585 k( 7) = ( 0.0769231 -0.0000000 0.0000000), wk = 0.0023585 k( 8) = ( 0.0897436 0.0000000 -0.0000000), wk = 0.0023585 k( 9) = ( 0.1025641 0.0000000 0.0000000), wk = 0.0023585 k( 10) = ( 0.1153846 -0.0000000 0.0000000), wk = 0.0023585 k( 11) = ( 0.1282051 -0.0000000 0.0000000), wk = 0.0023585 k( 12) = ( 0.1410256 0.0000000 0.0000000), wk = 0.0023585 k( 13) = ( 0.1538461 0.0000000 0.0000000), wk = 0.0023585 k( 14) = ( 0.1666667 -0.0000000 0.0000000), wk = 0.0023585 k( 15) = ( 0.1794872 0.0000000 -0.0000000), wk = 0.0023585 k( 16) = ( 0.1923077 0.0000000 0.0000000), wk = 0.0023585 k( 17) = ( 0.2051282 -0.0000000 0.0000000), wk = 0.0023585 k( 18) = ( 0.2179487 0.0000000 0.0000000), wk = 0.0023585 k( 19) = ( 0.2307692 0.0000000 0.0000000), wk = 0.0023585 k( 20) = ( 0.2435897 0.0000000 0.0000000), wk = 0.0023585 k( 21) = ( 0.2564103 -0.0000000 0.0000000), wk = 0.0023585 k( 22) = ( 0.2692308 -0.0000000 0.0000000), wk = 0.0023585 k( 23) = ( 0.2820513 0.0000000 0.0000000), wk = 0.0023585 k( 24) = ( 0.2948718 0.0000000 0.0000000), wk = 0.0023585 k( 25) = ( 0.3076923 -0.0000000 0.0000000), wk = 0.0023585 k( 26) = ( 0.3205128 0.0000000 0.0000000), wk = 0.0023585 k( 27) = ( 0.3333333 0.0000000 0.0000000), wk = 0.0023585 k( 28) = ( 0.3461538 0.0000000 0.0000000), wk = 0.0023585 k( 29) = ( 0.3589744 0.0000000 -0.0000000), wk = 0.0023585 k( 30) = ( 0.3717949 0.0000000 -0.0000000), wk = 0.0023585 k( 31) = ( 0.3846154 0.0000000 0.0000000), wk = 0.0023585 k( 32) = ( 0.3974359 -0.0000000 0.0000000), wk = 0.0023585 k( 33) = ( 0.4102564 -0.0000000 0.0000000), wk = 0.0023585 k( 34) = ( 0.4230769 0.0000000 0.0000000), wk = 0.0023585 k( 35) = ( 0.4358974 0.0000000 0.0000000), wk = 0.0023585 k( 36) = ( 0.4487179 0.0000000 0.0000000), wk = 0.0023585 k( 37) = ( 0.4615385 0.0000000 0.0000000), wk = 0.0023585 k( 38) = ( 0.4743590 0.0000000 0.0000000), wk = 0.0023585 k( 39) = ( 0.4871795 -0.0000000 0.0000000), wk = 0.0023585 k( 40) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0023585 k( 41) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0023585 k( 42) = ( 0.5000000 0.0128205 0.0000000), wk = 0.0023585 k( 43) = ( 0.5000000 0.0256410 0.0000000), wk = 0.0023585 k( 44) = ( 0.5000000 0.0384615 0.0000000), wk = 0.0023585 k( 45) = ( 0.5000000 0.0512821 0.0000000), wk = 0.0023585 k( 46) = ( 0.5000000 0.0641026 -0.0000000), wk = 0.0023585 k( 47) = ( 0.5000000 0.0769231 0.0000000), wk = 0.0023585 k( 48) = ( 0.5000000 0.0897436 0.0000000), wk = 0.0023585 k( 49) = ( 0.5000000 0.1025641 0.0000000), wk = 0.0023585 k( 50) = ( 0.5000000 0.1153846 0.0000000), wk = 0.0023585 k( 51) = ( 0.5000000 0.1282051 0.0000000), wk = 0.0023585 k( 52) = ( 0.5000000 0.1410256 0.0000000), wk = 0.0023585 k( 53) = ( 0.5000000 0.1538461 0.0000000), wk = 0.0023585 k( 54) = ( 0.5000000 0.1666667 0.0000000), wk = 0.0023585 k( 55) = ( 0.5000000 0.1794872 -0.0000000), wk = 0.0023585 k( 56) = ( 0.5000000 0.1923077 0.0000000), wk = 0.0023585 k( 57) = ( 0.5000000 0.2051282 -0.0000000), wk = 0.0023585 k( 58) = ( 0.5000000 0.2179487 0.0000000), wk = 0.0023585 k( 59) = ( 0.5000000 0.2307692 0.0000000), wk = 0.0023585 k( 60) = ( 0.5000000 0.2435897 0.0000000), wk = 0.0023585 k( 61) = ( 0.5000000 0.2564103 0.0000000), wk = 0.0023585 k( 62) = ( 0.5000000 0.2692308 -0.0000000), wk = 0.0023585 k( 63) = ( 0.5000000 0.2820513 0.0000000), wk = 0.0023585 k( 64) = ( 0.5000000 0.2948718 0.0000000), wk = 0.0023585 k( 65) = ( 0.5000000 0.3076923 0.0000000), wk = 0.0023585 k( 66) = ( 0.5000000 0.3205128 0.0000000), wk = 0.0023585 k( 67) = ( 0.5000000 0.3333333 -0.0000000), wk = 0.0023585 k( 68) = ( 0.5000000 0.3461538 -0.0000000), wk = 0.0023585 k( 69) = ( 0.5000000 0.3589744 0.0000000), wk = 0.0023585 k( 70) = ( 0.5000000 0.3717949 0.0000000), wk = 0.0023585 k( 71) = ( 0.5000000 0.3846154 0.0000000), wk = 0.0023585 k( 72) = ( 0.5000000 0.3974359 0.0000000), wk = 0.0023585 k( 73) = ( 0.5000000 0.4102564 0.0000000), wk = 0.0023585 k( 74) = ( 0.5000000 0.4230769 0.0000000), wk = 0.0023585 k( 75) = ( 0.5000000 0.4358974 0.0000000), wk = 0.0023585 k( 76) = ( 0.5000000 0.4487179 0.0000000), wk = 0.0023585 k( 77) = ( 0.5000000 0.4615385 0.0000000), wk = 0.0023585 k( 78) = ( 0.5000000 0.4743590 -0.0000000), wk = 0.0023585 k( 79) = ( 0.5000000 0.4871795 -0.0000000), wk = 0.0023585 k( 80) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0023585 k( 81) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0023585 k( 82) = ( 0.4871795 0.5000000 0.0000000), wk = 0.0023585 k( 83) = ( 0.4743590 0.5000000 0.0000000), wk = 0.0023585 k( 84) = ( 0.4615385 0.5000000 0.0000000), wk = 0.0023585 k( 85) = ( 0.4487179 0.5000000 0.0000000), wk = 0.0023585 k( 86) = ( 0.4358974 0.5000000 0.0000000), wk = 0.0023585 k( 87) = ( 0.4230769 0.5000000 0.0000000), wk = 0.0023585 k( 88) = ( 0.4102564 0.5000000 -0.0000000), wk = 0.0023585 k( 89) = ( 0.3974359 0.5000000 0.0000000), wk = 0.0023585 k( 90) = ( 0.3846154 0.5000000 0.0000000), wk = 0.0023585 k( 91) = ( 0.3717949 0.5000000 0.0000000), wk = 0.0023585 k( 92) = ( 0.3589744 0.5000000 0.0000000), wk = 0.0023585 k( 93) = ( 0.3461538 0.5000000 0.0000000), wk = 0.0023585 k( 94) = ( 0.3333333 0.5000000 0.0000000), wk = 0.0023585 k( 95) = ( 0.3205128 0.5000000 0.0000000), wk = 0.0023585 k( 96) = ( 0.3076923 0.5000000 -0.0000000), wk = 0.0023585 k( 97) = ( 0.2948718 0.5000000 0.0000000), wk = 0.0023585 k( 98) = ( 0.2820513 0.5000000 0.0000000), wk = 0.0023585 k( 99) = ( 0.2692308 0.5000000 0.0000000), wk = 0.0023585 k( 100) = ( 0.2564103 0.5000000 0.0000000), wk = 0.0023585 k( 101) = ( 0.2435897 0.5000000 0.0000000), wk = 0.0023585 k( 102) = ( 0.2307692 0.5000000 -0.0000000), wk = 0.0023585 k( 103) = ( 0.2179487 0.5000000 0.0000000), wk = 0.0023585 k( 104) = ( 0.2051282 0.5000000 0.0000000), wk = 0.0023585 k( 105) = ( 0.1923077 0.5000000 -0.0000000), wk = 0.0023585 k( 106) = ( 0.1794872 0.5000000 -0.0000000), wk = 0.0023585 k( 107) = ( 0.1666667 0.5000000 -0.0000000), wk = 0.0023585 k( 108) = ( 0.1538461 0.5000000 0.0000000), wk = 0.0023585 k( 109) = ( 0.1410256 0.5000000 0.0000000), wk = 0.0023585 k( 110) = ( 0.1282051 0.5000000 0.0000000), wk = 0.0023585 k( 111) = ( 0.1153846 0.5000000 0.0000000), wk = 0.0023585 k( 112) = ( 0.1025641 0.5000000 0.0000000), wk = 0.0023585 k( 113) = ( 0.0897436 0.5000000 0.0000000), wk = 0.0023585 k( 114) = ( 0.0769231 0.5000000 0.0000000), wk = 0.0023585 k( 115) = ( 0.0641026 0.5000000 -0.0000000), wk = 0.0023585 k( 116) = ( 0.0512821 0.5000000 -0.0000000), wk = 0.0023585 k( 117) = ( 0.0384615 0.5000000 -0.0000000), wk = 0.0023585 k( 118) = ( 0.0256410 0.5000000 0.0000000), wk = 0.0023585 k( 119) = ( 0.0128205 0.5000000 -0.0000000), wk = 0.0023585 k( 120) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0023585 k( 121) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0023585 k( 122) = ( 0.0000000 0.4871795 0.0000000), wk = 0.0023585 k( 123) = ( 0.0000000 0.4743590 0.0000000), wk = 0.0023585 k( 124) = ( 0.0000000 0.4615385 -0.0000000), wk = 0.0023585 k( 125) = ( 0.0000000 0.4487179 -0.0000000), wk = 0.0023585 k( 126) = ( 0.0000000 0.4358974 0.0000000), wk = 0.0023585 k( 127) = ( 0.0000000 0.4230769 -0.0000000), wk = 0.0023585 k( 128) = ( 0.0000000 0.4102564 -0.0000000), wk = 0.0023585 k( 129) = ( 0.0000000 0.3974359 -0.0000000), wk = 0.0023585 k( 130) = ( 0.0000000 0.3846154 -0.0000000), wk = 0.0023585 k( 131) = ( 0.0000000 0.3717949 -0.0000000), wk = 0.0023585 k( 132) = ( 0.0000000 0.3589744 0.0000000), wk = 0.0023585 k( 133) = ( 0.0000000 0.3461538 -0.0000000), wk = 0.0023585 k( 134) = ( 0.0000000 0.3333333 -0.0000000), wk = 0.0023585 k( 135) = ( 0.0000000 0.3205128 -0.0000000), wk = 0.0023585 k( 136) = ( 0.0000000 0.3076923 -0.0000000), wk = 0.0023585 k( 137) = ( 0.0000000 0.2948718 0.0000000), wk = 0.0023585 k( 138) = ( 0.0000000 0.2820513 0.0000000), wk = 0.0023585 k( 139) = ( 0.0000000 0.2692308 -0.0000000), wk = 0.0023585 k( 140) = ( 0.0000000 0.2564103 -0.0000000), wk = 0.0023585 k( 141) = ( 0.0000000 0.2435897 0.0000000), wk = 0.0023585 k( 142) = ( 0.0000000 0.2307692 -0.0000000), wk = 0.0023585 k( 143) = ( 0.0000000 0.2179487 0.0000000), wk = 0.0023585 k( 144) = ( 0.0000000 0.2051282 -0.0000000), wk = 0.0023585 k( 145) = ( 0.0000000 0.1923077 -0.0000000), wk = 0.0023585 k( 146) = ( 0.0000000 0.1794872 0.0000000), wk = 0.0023585 k( 147) = ( 0.0000000 0.1666667 -0.0000000), wk = 0.0023585 k( 148) = ( 0.0000000 0.1538461 0.0000000), wk = 0.0023585 k( 149) = ( 0.0000000 0.1410256 0.0000000), wk = 0.0023585 k( 150) = ( 0.0000000 0.1282051 -0.0000000), wk = 0.0023585 k( 151) = ( 0.0000000 0.1153846 0.0000000), wk = 0.0023585 k( 152) = ( 0.0000000 0.1025641 -0.0000000), wk = 0.0023585 k( 153) = ( 0.0000000 0.0897436 0.0000000), wk = 0.0023585 k( 154) = ( 0.0000000 0.0769231 -0.0000000), wk = 0.0023585 k( 155) = ( 0.0000000 0.0641026 -0.0000000), wk = 0.0023585 k( 156) = ( 0.0000000 0.0512821 -0.0000000), wk = 0.0023585 k( 157) = ( 0.0000000 0.0384615 -0.0000000), wk = 0.0023585 k( 158) = ( 0.0000000 0.0256410 0.0000000), wk = 0.0023585 k( 159) = ( 0.0000000 0.0128205 -0.0000000), wk = 0.0023585 k( 160) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023585 k( 161) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023585 k( 162) = ( 0.0000000 0.0000000 0.0200000), wk = 0.0023585 k( 163) = ( 0.0000000 0.0000000 0.0400000), wk = 0.0023585 k( 164) = ( 0.0000000 0.0000000 0.0600000), wk = 0.0023585 k( 165) = ( 0.0000000 0.0000000 0.0800000), wk = 0.0023585 k( 166) = ( 0.0000000 0.0000000 0.1000000), wk = 0.0023585 k( 167) = ( 0.0000000 0.0000000 0.1200000), wk = 0.0023585 k( 168) = ( 0.0000000 0.0000000 0.1400000), wk = 0.0023585 k( 169) = ( 0.0000000 0.0000000 0.1600000), wk = 0.0023585 k( 170) = ( 0.0000000 0.0000000 0.1800000), wk = 0.0023585 k( 171) = ( 0.0000000 0.0000000 0.2000000), wk = 0.0023585 k( 172) = ( 0.0000000 0.0000000 0.2200000), wk = 0.0023585 k( 173) = ( 0.0000000 0.0000000 0.2400000), wk = 0.0023585 k( 174) = ( 0.0000000 0.0000000 0.2600000), wk = 0.0023585 k( 175) = ( 0.0000000 0.0000000 0.2800000), wk = 0.0023585 k( 176) = ( 0.0000000 0.0000000 0.3000000), wk = 0.0023585 k( 177) = ( 0.0000000 0.0000000 0.3200000), wk = 0.0023585 k( 178) = ( 0.0000000 0.0000000 0.3400000), wk = 0.0023585 k( 179) = ( 0.0000000 0.0000000 0.3600000), wk = 0.0023585 k( 180) = ( 0.0000000 0.0000000 0.3800000), wk = 0.0023585 k( 181) = ( 0.0000000 0.0000000 0.4000000), wk = 0.0023585 k( 182) = ( 0.0000000 0.0000000 0.4200000), wk = 0.0023585 k( 183) = ( 0.0000000 0.0000000 0.4400000), wk = 0.0023585 k( 184) = ( 0.0000000 0.0000000 0.4600000), wk = 0.0023585 k( 185) = ( 0.0000000 0.0000000 0.4800000), wk = 0.0023585 k( 186) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0023585 k( 187) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0023585 k( 188) = ( 0.0128205 -0.0000000 0.5000000), wk = 0.0023585 k( 189) = ( 0.0256410 0.0000000 0.5000000), wk = 0.0023585 k( 190) = ( 0.0384615 -0.0000000 0.5000000), wk = 0.0023585 k( 191) = ( 0.0512821 0.0000000 0.5000000), wk = 0.0023585 k( 192) = ( 0.0641026 -0.0000000 0.5000000), wk = 0.0023585 k( 193) = ( 0.0769231 -0.0000000 0.5000000), wk = 0.0023585 k( 194) = ( 0.0897436 0.0000000 0.5000000), wk = 0.0023585 k( 195) = ( 0.1025641 0.0000000 0.5000000), wk = 0.0023585 k( 196) = ( 0.1153846 -0.0000000 0.5000000), wk = 0.0023585 k( 197) = ( 0.1282051 -0.0000000 0.5000000), wk = 0.0023585 k( 198) = ( 0.1410256 0.0000000 0.5000000), wk = 0.0023585 k( 199) = ( 0.1538461 0.0000000 0.5000000), wk = 0.0023585 k( 200) = ( 0.1666667 -0.0000000 0.5000000), wk = 0.0023585 k( 201) = ( 0.1794872 0.0000000 0.5000000), wk = 0.0023585 k( 202) = ( 0.1923077 0.0000000 0.5000000), wk = 0.0023585 k( 203) = ( 0.2051282 -0.0000000 0.5000000), wk = 0.0023585 k( 204) = ( 0.2179487 0.0000000 0.5000000), wk = 0.0023585 k( 205) = ( 0.2307692 0.0000000 0.5000000), wk = 0.0023585 k( 206) = ( 0.2435897 0.0000000 0.5000000), wk = 0.0023585 k( 207) = ( 0.2564103 -0.0000000 0.5000000), wk = 0.0023585 k( 208) = ( 0.2692308 -0.0000000 0.5000000), wk = 0.0023585 k( 209) = ( 0.2820513 0.0000000 0.5000000), wk = 0.0023585 k( 210) = ( 0.2948718 0.0000000 0.5000000), wk = 0.0023585 k( 211) = ( 0.3076923 -0.0000000 0.5000000), wk = 0.0023585 k( 212) = ( 0.3205128 0.0000000 0.5000000), wk = 0.0023585 k( 213) = ( 0.3333333 0.0000000 0.5000000), wk = 0.0023585 k( 214) = ( 0.3461538 0.0000000 0.5000000), wk = 0.0023585 k( 215) = ( 0.3589744 0.0000000 0.5000000), wk = 0.0023585 k( 216) = ( 0.3717949 0.0000000 0.5000000), wk = 0.0023585 k( 217) = ( 0.3846154 0.0000000 0.5000000), wk = 0.0023585 k( 218) = ( 0.3974359 -0.0000000 0.5000000), wk = 0.0023585 k( 219) = ( 0.4102564 -0.0000000 0.5000000), wk = 0.0023585 k( 220) = ( 0.4230769 0.0000000 0.5000000), wk = 0.0023585 k( 221) = ( 0.4358974 0.0000000 0.5000000), wk = 0.0023585 k( 222) = ( 0.4487179 0.0000000 0.5000000), wk = 0.0023585 k( 223) = ( 0.4615385 0.0000000 0.5000000), wk = 0.0023585 k( 224) = ( 0.4743590 0.0000000 0.5000000), wk = 0.0023585 k( 225) = ( 0.4871795 -0.0000000 0.5000000), wk = 0.0023585 k( 226) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0023585 k( 227) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0023585 k( 228) = ( 0.5000000 0.0128205 0.5000000), wk = 0.0023585 k( 229) = ( 0.5000000 0.0256410 0.5000000), wk = 0.0023585 k( 230) = ( 0.5000000 0.0384615 0.5000000), wk = 0.0023585 k( 231) = ( 0.5000000 0.0512821 0.5000000), wk = 0.0023585 k( 232) = ( 0.5000000 0.0641026 0.5000000), wk = 0.0023585 k( 233) = ( 0.5000000 0.0769231 0.5000000), wk = 0.0023585 k( 234) = ( 0.5000000 0.0897436 0.5000000), wk = 0.0023585 k( 235) = ( 0.5000000 0.1025641 0.5000000), wk = 0.0023585 k( 236) = ( 0.5000000 0.1153846 0.5000000), wk = 0.0023585 k( 237) = ( 0.5000000 0.1282051 0.5000000), wk = 0.0023585 k( 238) = ( 0.5000000 0.1410256 0.5000000), wk = 0.0023585 k( 239) = ( 0.5000000 0.1538461 0.5000000), wk = 0.0023585 k( 240) = ( 0.5000000 0.1666667 0.5000000), wk = 0.0023585 k( 241) = ( 0.5000000 0.1794872 0.5000000), wk = 0.0023585 k( 242) = ( 0.5000000 0.1923077 0.5000000), wk = 0.0023585 k( 243) = ( 0.5000000 0.2051282 0.5000000), wk = 0.0023585 k( 244) = ( 0.5000000 0.2179487 0.5000000), wk = 0.0023585 k( 245) = ( 0.5000000 0.2307692 0.5000000), wk = 0.0023585 k( 246) = ( 0.5000000 0.2435897 0.5000000), wk = 0.0023585 k( 247) = ( 0.5000000 0.2564103 0.5000000), wk = 0.0023585 k( 248) = ( 0.5000000 0.2692308 0.5000000), wk = 0.0023585 k( 249) = ( 0.5000000 0.2820513 0.5000000), wk = 0.0023585 k( 250) = ( 0.5000000 0.2948718 0.5000000), wk = 0.0023585 k( 251) = ( 0.5000000 0.3076923 0.5000000), wk = 0.0023585 k( 252) = ( 0.5000000 0.3205128 0.5000000), wk = 0.0023585 k( 253) = ( 0.5000000 0.3333333 0.5000000), wk = 0.0023585 k( 254) = ( 0.5000000 0.3461538 0.5000000), wk = 0.0023585 k( 255) = ( 0.5000000 0.3589744 0.5000000), wk = 0.0023585 k( 256) = ( 0.5000000 0.3717949 0.5000000), wk = 0.0023585 k( 257) = ( 0.5000000 0.3846154 0.5000000), wk = 0.0023585 k( 258) = ( 0.5000000 0.3974359 0.5000000), wk = 0.0023585 k( 259) = ( 0.5000000 0.4102564 0.5000000), wk = 0.0023585 k( 260) = ( 0.5000000 0.4230769 0.5000000), wk = 0.0023585 k( 261) = ( 0.5000000 0.4358974 0.5000000), wk = 0.0023585 k( 262) = ( 0.5000000 0.4487179 0.5000000), wk = 0.0023585 k( 263) = ( 0.5000000 0.4615385 0.5000000), wk = 0.0023585 k( 264) = ( 0.5000000 0.4743590 0.5000000), wk = 0.0023585 k( 265) = ( 0.5000000 0.4871795 0.5000000), wk = 0.0023585 k( 266) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0023585 k( 267) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0023585 k( 268) = ( 0.4871795 0.5000000 0.5000000), wk = 0.0023585 k( 269) = ( 0.4743590 0.5000000 0.5000000), wk = 0.0023585 k( 270) = ( 0.4615385 0.5000000 0.5000000), wk = 0.0023585 k( 271) = ( 0.4487179 0.5000000 0.5000000), wk = 0.0023585 k( 272) = ( 0.4358974 0.5000000 0.5000000), wk = 0.0023585 k( 273) = ( 0.4230769 0.5000000 0.5000000), wk = 0.0023585 k( 274) = ( 0.4102564 0.5000000 0.5000000), wk = 0.0023585 k( 275) = ( 0.3974359 0.5000000 0.5000000), wk = 0.0023585 k( 276) = ( 0.3846154 0.5000000 0.5000000), wk = 0.0023585 k( 277) = ( 0.3717949 0.5000000 0.5000000), wk = 0.0023585 k( 278) = ( 0.3589744 0.5000000 0.5000000), wk = 0.0023585 k( 279) = ( 0.3461538 0.5000000 0.5000000), wk = 0.0023585 k( 280) = ( 0.3333333 0.5000000 0.5000000), wk = 0.0023585 k( 281) = ( 0.3205128 0.5000000 0.5000000), wk = 0.0023585 k( 282) = ( 0.3076923 0.5000000 0.5000000), wk = 0.0023585 k( 283) = ( 0.2948718 0.5000000 0.5000000), wk = 0.0023585 k( 284) = ( 0.2820513 0.5000000 0.5000000), wk = 0.0023585 k( 285) = ( 0.2692308 0.5000000 0.5000000), wk = 0.0023585 k( 286) = ( 0.2564103 0.5000000 0.5000000), wk = 0.0023585 k( 287) = ( 0.2435897 0.5000000 0.5000000), wk = 0.0023585 k( 288) = ( 0.2307692 0.5000000 0.5000000), wk = 0.0023585 k( 289) = ( 0.2179487 0.5000000 0.5000000), wk = 0.0023585 k( 290) = ( 0.2051282 0.5000000 0.5000000), wk = 0.0023585 k( 291) = ( 0.1923077 0.5000000 0.5000000), wk = 0.0023585 k( 292) = ( 0.1794872 0.5000000 0.5000000), wk = 0.0023585 k( 293) = ( 0.1666667 0.5000000 0.5000000), wk = 0.0023585 k( 294) = ( 0.1538461 0.5000000 0.5000000), wk = 0.0023585 k( 295) = ( 0.1410256 0.5000000 0.5000000), wk = 0.0023585 k( 296) = ( 0.1282051 0.5000000 0.5000000), wk = 0.0023585 k( 297) = ( 0.1153846 0.5000000 0.5000000), wk = 0.0023585 k( 298) = ( 0.1025641 0.5000000 0.5000000), wk = 0.0023585 k( 299) = ( 0.0897436 0.5000000 0.5000000), wk = 0.0023585 k( 300) = ( 0.0769231 0.5000000 0.5000000), wk = 0.0023585 k( 301) = ( 0.0641026 0.5000000 0.5000000), wk = 0.0023585 k( 302) = ( 0.0512821 0.5000000 0.5000000), wk = 0.0023585 k( 303) = ( 0.0384615 0.5000000 0.5000000), wk = 0.0023585 k( 304) = ( 0.0256410 0.5000000 0.5000000), wk = 0.0023585 k( 305) = ( 0.0128205 0.5000000 0.5000000), wk = 0.0023585 k( 306) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0023585 k( 307) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0023585 k( 308) = ( 0.0000000 0.4871795 0.5000000), wk = 0.0023585 k( 309) = ( 0.0000000 0.4743590 0.5000000), wk = 0.0023585 k( 310) = ( 0.0000000 0.4615385 0.5000000), wk = 0.0023585 k( 311) = ( 0.0000000 0.4487179 0.5000000), wk = 0.0023585 k( 312) = ( 0.0000000 0.4358974 0.5000000), wk = 0.0023585 k( 313) = ( 0.0000000 0.4230769 0.5000000), wk = 0.0023585 k( 314) = ( 0.0000000 0.4102564 0.5000000), wk = 0.0023585 k( 315) = ( 0.0000000 0.3974359 0.5000000), wk = 0.0023585 k( 316) = ( 0.0000000 0.3846154 0.5000000), wk = 0.0023585 k( 317) = ( 0.0000000 0.3717949 0.5000000), wk = 0.0023585 k( 318) = ( 0.0000000 0.3589744 0.5000000), wk = 0.0023585 k( 319) = ( 0.0000000 0.3461538 0.5000000), wk = 0.0023585 k( 320) = ( 0.0000000 0.3333333 0.5000000), wk = 0.0023585 k( 321) = ( 0.0000000 0.3205128 0.5000000), wk = 0.0023585 k( 322) = ( 0.0000000 0.3076923 0.5000000), wk = 0.0023585 k( 323) = ( 0.0000000 0.2948718 0.5000000), wk = 0.0023585 k( 324) = ( 0.0000000 0.2820513 0.5000000), wk = 0.0023585 k( 325) = ( 0.0000000 0.2692308 0.5000000), wk = 0.0023585 k( 326) = ( 0.0000000 0.2564103 0.5000000), wk = 0.0023585 k( 327) = ( 0.0000000 0.2435897 0.5000000), wk = 0.0023585 k( 328) = ( 0.0000000 0.2307692 0.5000000), wk = 0.0023585 k( 329) = ( 0.0000000 0.2179487 0.5000000), wk = 0.0023585 k( 330) = ( 0.0000000 0.2051282 0.5000000), wk = 0.0023585 k( 331) = ( 0.0000000 0.1923077 0.5000000), wk = 0.0023585 k( 332) = ( 0.0000000 0.1794872 0.5000000), wk = 0.0023585 k( 333) = ( 0.0000000 0.1666667 0.5000000), wk = 0.0023585 k( 334) = ( 0.0000000 0.1538461 0.5000000), wk = 0.0023585 k( 335) = ( 0.0000000 0.1410256 0.5000000), wk = 0.0023585 k( 336) = ( 0.0000000 0.1282051 0.5000000), wk = 0.0023585 k( 337) = ( 0.0000000 0.1153846 0.5000000), wk = 0.0023585 k( 338) = ( 0.0000000 0.1025641 0.5000000), wk = 0.0023585 k( 339) = ( 0.0000000 0.0897436 0.5000000), wk = 0.0023585 k( 340) = ( 0.0000000 0.0769231 0.5000000), wk = 0.0023585 k( 341) = ( 0.0000000 0.0641026 0.5000000), wk = 0.0023585 k( 342) = ( 0.0000000 0.0512821 0.5000000), wk = 0.0023585 k( 343) = ( 0.0000000 0.0384615 0.5000000), wk = 0.0023585 k( 344) = ( 0.0000000 0.0256410 0.5000000), wk = 0.0023585 k( 345) = ( 0.0000000 0.0128205 0.5000000), wk = 0.0023585 k( 346) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0023585 k( 347) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0023585 k( 348) = ( 0.0000000 0.5000000 0.0200000), wk = 0.0023585 k( 349) = ( 0.0000000 0.5000000 0.0400000), wk = 0.0023585 k( 350) = ( 0.0000000 0.5000000 0.0600000), wk = 0.0023585 k( 351) = ( 0.0000000 0.5000000 0.0800000), wk = 0.0023585 k( 352) = ( 0.0000000 0.5000000 0.1000000), wk = 0.0023585 k( 353) = ( 0.0000000 0.5000000 0.1200000), wk = 0.0023585 k( 354) = ( 0.0000000 0.5000000 0.1400000), wk = 0.0023585 k( 355) = ( 0.0000000 0.5000000 0.1600000), wk = 0.0023585 k( 356) = ( 0.0000000 0.5000000 0.1800000), wk = 0.0023585 k( 357) = ( 0.0000000 0.5000000 0.2000000), wk = 0.0023585 k( 358) = ( 0.0000000 0.5000000 0.2200000), wk = 0.0023585 k( 359) = ( 0.0000000 0.5000000 0.2400000), wk = 0.0023585 k( 360) = ( 0.0000000 0.5000000 0.2600000), wk = 0.0023585 k( 361) = ( 0.0000000 0.5000000 0.2800000), wk = 0.0023585 k( 362) = ( 0.0000000 0.5000000 0.3000000), wk = 0.0023585 k( 363) = ( 0.0000000 0.5000000 0.3200000), wk = 0.0023585 k( 364) = ( 0.0000000 0.5000000 0.3400000), wk = 0.0023585 k( 365) = ( 0.0000000 0.5000000 0.3600000), wk = 0.0023585 k( 366) = ( 0.0000000 0.5000000 0.3800000), wk = 0.0023585 k( 367) = ( 0.0000000 0.5000000 0.4000000), wk = 0.0023585 k( 368) = ( 0.0000000 0.5000000 0.4200000), wk = 0.0023585 k( 369) = ( 0.0000000 0.5000000 0.4400000), wk = 0.0023585 k( 370) = ( 0.0000000 0.5000000 0.4600000), wk = 0.0023585 k( 371) = ( 0.0000000 0.5000000 0.4800000), wk = 0.0023585 k( 372) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0023585 k( 373) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0023585 k( 374) = ( 0.5000000 0.0000000 0.4800000), wk = 0.0023585 k( 375) = ( 0.5000000 0.0000000 0.4600000), wk = 0.0023585 k( 376) = ( 0.5000000 0.0000000 0.4400000), wk = 0.0023585 k( 377) = ( 0.5000000 0.0000000 0.4200000), wk = 0.0023585 k( 378) = ( 0.5000000 0.0000000 0.4000000), wk = 0.0023585 k( 379) = ( 0.5000000 0.0000000 0.3800000), wk = 0.0023585 k( 380) = ( 0.5000000 0.0000000 0.3600000), wk = 0.0023585 k( 381) = ( 0.5000000 0.0000000 0.3400000), wk = 0.0023585 k( 382) = ( 0.5000000 0.0000000 0.3200000), wk = 0.0023585 k( 383) = ( 0.5000000 0.0000000 0.3000000), wk = 0.0023585 k( 384) = ( 0.5000000 0.0000000 0.2800000), wk = 0.0023585 k( 385) = ( 0.5000000 0.0000000 0.2600000), wk = 0.0023585 k( 386) = ( 0.5000000 0.0000000 0.2400000), wk = 0.0023585 k( 387) = ( 0.5000000 0.0000000 0.2200000), wk = 0.0023585 k( 388) = ( 0.5000000 0.0000000 0.2000000), wk = 0.0023585 k( 389) = ( 0.5000000 0.0000000 0.1800000), wk = 0.0023585 k( 390) = ( 0.5000000 0.0000000 0.1600000), wk = 0.0023585 k( 391) = ( 0.5000000 0.0000000 0.1400000), wk = 0.0023585 k( 392) = ( 0.5000000 0.0000000 0.1200000), wk = 0.0023585 k( 393) = ( 0.5000000 0.0000000 0.1000000), wk = 0.0023585 k( 394) = ( 0.5000000 0.0000000 0.0800000), wk = 0.0023585 k( 395) = ( 0.5000000 0.0000000 0.0600000), wk = 0.0023585 k( 396) = ( 0.5000000 0.0000000 0.0400000), wk = 0.0023585 k( 397) = ( 0.5000000 0.0000000 0.0200000), wk = 0.0023585 k( 398) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0023585 k( 399) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0023585 k( 400) = ( 0.5000000 0.5000000 0.0200000), wk = 0.0023585 k( 401) = ( 0.5000000 0.5000000 0.0400000), wk = 0.0023585 k( 402) = ( 0.5000000 0.5000000 0.0600000), wk = 0.0023585 k( 403) = ( 0.5000000 0.5000000 0.0800000), wk = 0.0023585 k( 404) = ( 0.5000000 0.5000000 0.1000000), wk = 0.0023585 k( 405) = ( 0.5000000 0.5000000 0.1200000), wk = 0.0023585 k( 406) = ( 0.5000000 0.5000000 0.1400000), wk = 0.0023585 k( 407) = ( 0.5000000 0.5000000 0.1600000), wk = 0.0023585 k( 408) = ( 0.5000000 0.5000000 0.1800000), wk = 0.0023585 k( 409) = ( 0.5000000 0.5000000 0.2000000), wk = 0.0023585 k( 410) = ( 0.5000000 0.5000000 0.2200000), wk = 0.0023585 k( 411) = ( 0.5000000 0.5000000 0.2400000), wk = 0.0023585 k( 412) = ( 0.5000000 0.5000000 0.2600000), wk = 0.0023585 k( 413) = ( 0.5000000 0.5000000 0.2800000), wk = 0.0023585 k( 414) = ( 0.5000000 0.5000000 0.3000000), wk = 0.0023585 k( 415) = ( 0.5000000 0.5000000 0.3200000), wk = 0.0023585 k( 416) = ( 0.5000000 0.5000000 0.3400000), wk = 0.0023585 k( 417) = ( 0.5000000 0.5000000 0.3600000), wk = 0.0023585 k( 418) = ( 0.5000000 0.5000000 0.3800000), wk = 0.0023585 k( 419) = ( 0.5000000 0.5000000 0.4000000), wk = 0.0023585 k( 420) = ( 0.5000000 0.5000000 0.4200000), wk = 0.0023585 k( 421) = ( 0.5000000 0.5000000 0.4400000), wk = 0.0023585 k( 422) = ( 0.5000000 0.5000000 0.4600000), wk = 0.0023585 k( 423) = ( 0.5000000 0.5000000 0.4800000), wk = 0.0023585 k( 424) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0023585 Dense grid: 43853 G-vectors FFT dimensions: ( 40, 40, 60) Smooth grid: 30047 G-vectors FFT dimensions: ( 36, 36, 54) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.22 Mb ( 216, 68) NL pseudopotentials 0.27 Mb ( 108, 164) Each V/rho on FFT grid 0.05 Mb ( 3200) Each G-vector array 0.01 Mb ( 1218) G-vector shells 0.00 Mb ( 623) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.90 Mb ( 216, 272) Each subspace H/S matrix 0.07 Mb ( 68, 68) Each matrix 0.34 Mb ( 164, 2, 68) The potential is recalculated from file : ./CuAgSe.save/charge-density.dat Starting wfc are 88 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.8 secs Computing kpt #: 2 total cpu time spent up to now is 3.2 secs Computing kpt #: 3 total cpu time spent up to now is 3.7 secs Computing kpt #: 4 total cpu time spent up to now is 4.1 secs Computing kpt #: 5 total cpu time spent up to now is 4.6 secs Computing kpt #: 6 total cpu time spent up to now is 5.1 secs Computing kpt #: 7 total cpu time spent up to now is 5.5 secs Computing kpt #: 8 total cpu time spent up to now is 6.0 secs Computing kpt #: 9 total cpu time spent up to now is 6.4 secs Computing kpt #: 10 total cpu time spent up to now is 6.9 secs Computing kpt #: 11 total cpu time spent up to now is 7.3 secs Computing kpt #: 12 total cpu time spent up to now is 7.8 secs Computing kpt #: 13 total cpu time spent up to now is 8.3 secs Computing kpt #: 14 total cpu time spent up to now is 8.7 secs Computing kpt #: 15 total cpu time spent up to now is 9.2 secs Computing kpt #: 16 total cpu time spent up to now is 9.6 secs Computing kpt #: 17 total cpu time spent up to now is 10.1 secs Computing kpt #: 18 total cpu time spent up to now is 10.6 secs Computing kpt #: 19 total cpu time spent up to now is 11.0 secs Computing kpt #: 20 total cpu time spent up to now is 11.5 secs Computing kpt #: 21 total cpu time spent up to now is 12.0 secs Computing kpt #: 22 total cpu time spent up to now is 12.5 secs Computing kpt #: 23 total cpu time spent up to now is 12.9 secs Computing kpt #: 24 total cpu time spent up to now is 13.4 secs Computing kpt #: 25 total cpu time spent up to now is 13.9 secs Computing kpt #: 26 total cpu time spent up to now is 14.4 secs Computing kpt #: 27 total cpu time spent up to now is 14.9 secs Computing kpt #: 28 total cpu time spent up to now is 15.4 secs Computing kpt #: 29 total cpu time spent up to now is 16.0 secs Computing kpt #: 30 total cpu time spent up to now is 16.5 secs Computing kpt #: 31 total cpu time spent up to now is 17.1 secs Computing kpt #: 32 total cpu time spent up to now is 17.8 secs Computing kpt #: 33 total cpu time spent up to now is 18.5 secs Computing kpt #: 34 total cpu time spent up to now is 19.1 secs Computing kpt #: 35 total cpu time spent up to now is 19.8 secs Computing kpt #: 36 total cpu time spent up to now is 20.4 secs Computing kpt #: 37 total cpu time spent up to now is 21.1 secs Computing kpt #: 38 total cpu time spent up to now is 21.7 secs Computing kpt #: 39 total cpu time spent up to now is 22.4 secs Computing kpt #: 40 total cpu time spent up to now is 23.0 secs Computing kpt #: 41 total cpu time spent up to now is 23.6 secs Computing kpt #: 42 total cpu time spent up to now is 24.3 secs Computing kpt #: 43 total cpu time spent up to now is 24.9 secs Computing kpt #: 44 total cpu time spent up to now is 25.5 secs Computing kpt #: 45 total cpu time spent up to now is 26.0 secs Computing kpt #: 46 total cpu time spent up to now is 26.6 secs Computing kpt #: 47 total cpu time spent up to now is 27.1 secs Computing kpt #: 48 total cpu time spent up to now is 27.6 secs Computing kpt #: 49 total cpu time spent up to now is 28.1 secs Computing kpt #: 50 total cpu time spent up to now is 28.6 secs Computing kpt #: 51 total cpu time spent up to now is 29.1 secs Computing kpt #: 52 total cpu time spent up to now is 29.5 secs Computing kpt #: 53 total cpu time spent up to now is 30.0 secs Computing kpt #: 54 total cpu time spent up to now is 30.5 secs Computing kpt #: 55 total cpu time spent up to now is 31.0 secs Computing kpt #: 56 total cpu time spent up to now is 31.4 secs Computing kpt #: 57 total cpu time spent up to now is 31.9 secs Computing kpt #: 58 total cpu time spent up to now is 32.4 secs Computing kpt #: 59 total cpu time spent up to now is 32.8 secs Computing kpt #: 60 total cpu time spent up to now is 33.3 secs Computing kpt #: 61 total cpu time spent up to now is 33.8 secs Computing kpt #: 62 total cpu time spent up to now is 34.2 secs Computing kpt #: 63 total cpu time spent up to now is 34.8 secs Computing kpt #: 64 total cpu time spent up to now is 35.2 secs Computing kpt #: 65 total cpu time spent up to now is 35.7 secs Computing kpt #: 66 total cpu time spent up to now is 36.2 secs Computing kpt #: 67 total cpu time spent up to now is 36.7 secs Computing kpt #: 68 total cpu time spent up to now is 37.3 secs Computing kpt #: 69 total cpu time spent up to now is 37.8 secs Computing kpt #: 70 total cpu time spent up to now is 38.3 secs Computing kpt #: 71 total cpu time spent up to now is 38.8 secs Computing kpt #: 72 total cpu time spent up to now is 39.4 secs Computing kpt #: 73 total cpu time spent up to now is 39.9 secs Computing kpt #: 74 total cpu time spent up to now is 40.4 secs Computing kpt #: 75 total cpu time spent up to now is 41.0 secs Computing kpt #: 76 total cpu time spent up to now is 41.6 secs Computing kpt #: 77 total cpu time spent up to now is 42.2 secs Computing kpt #: 78 total cpu time spent up to now is 42.8 secs Computing kpt #: 79 total cpu time spent up to now is 43.3 secs Computing kpt #: 80 total cpu time spent up to now is 43.9 secs Computing kpt #: 81 total cpu time spent up to now is 44.5 secs Computing kpt #: 82 total cpu time spent up to now is 45.1 secs Computing kpt #: 83 total cpu time spent up to now is 45.7 secs Computing kpt #: 84 total cpu time spent up to now is 46.3 secs Computing kpt #: 85 total cpu time spent up to now is 46.8 secs Computing kpt #: 86 total cpu time spent up to now is 47.4 secs Computing kpt #: 87 total cpu time spent up to now is 47.9 secs Computing kpt #: 88 total cpu time spent up to now is 48.4 secs Computing kpt #: 89 total cpu time spent up to now is 49.0 secs Computing kpt #: 90 total cpu time spent up to now is 49.5 secs Computing kpt #: 91 total cpu time spent up to now is 50.0 secs Computing kpt #: 92 total cpu time spent up to now is 50.5 secs Computing kpt #: 93 total cpu time spent up to now is 51.0 secs Computing kpt #: 94 total cpu time spent up to now is 51.4 secs Computing kpt #: 95 total cpu time spent up to now is 51.9 secs Computing kpt #: 96 total cpu time spent up to now is 52.4 secs Computing kpt #: 97 total cpu time spent up to now is 52.9 secs Computing kpt #: 98 total cpu time spent up to now is 53.4 secs Computing kpt #: 99 total cpu time spent up to now is 53.8 secs Computing kpt #: 100 total cpu time spent up to now is 54.3 secs Computing kpt #: 101 total cpu time spent up to now is 54.8 secs Computing kpt #: 102 total cpu time spent up to now is 55.3 secs Computing kpt #: 103 total cpu time spent up to now is 55.7 secs Computing kpt #: 104 total cpu time spent up to now is 56.2 secs Computing kpt #: 105 total cpu time spent up to now is 56.6 secs Computing kpt #: 106 total cpu time spent up to now is 57.1 secs Computing kpt #: 107 total cpu time spent up to now is 57.6 secs Computing kpt #: 108 total cpu time spent up to now is 58.0 secs Computing kpt #: 109 total cpu time spent up to now is 58.5 secs Computing kpt #: 110 total cpu time spent up to now is 59.0 secs Computing kpt #: 111 total cpu time spent up to now is 59.5 secs Computing kpt #: 112 total cpu time spent up to now is 59.9 secs Computing kpt #: 113 total cpu time spent up to now is 60.4 secs Computing kpt #: 114 total cpu time spent up to now is 60.9 secs Computing kpt #: 115 total cpu time spent up to now is 61.3 secs Computing kpt #: 116 total cpu time spent up to now is 61.8 secs Computing kpt #: 117 total cpu time spent up to now is 62.3 secs Computing kpt #: 118 total cpu time spent up to now is 62.8 secs Computing kpt #: 119 total cpu time spent up to now is 63.2 secs Computing kpt #: 120 total cpu time spent up to now is 63.7 secs Computing kpt #: 121 total cpu time spent up to now is 64.2 secs Computing kpt #: 122 total cpu time spent up to now is 64.7 secs Computing kpt #: 123 total cpu time spent up to now is 65.1 secs Computing kpt #: 124 total cpu time spent up to now is 65.6 secs Computing kpt #: 125 total cpu time spent up to now is 66.1 secs Computing kpt #: 126 total cpu time spent up to now is 66.6 secs Computing kpt #: 127 total cpu time spent up to now is 67.1 secs Computing kpt #: 128 total cpu time spent up to now is 67.6 secs Computing kpt #: 129 total cpu time spent up to now is 68.3 secs Computing kpt #: 130 total cpu time spent up to now is 68.8 secs Computing kpt #: 131 total cpu time spent up to now is 69.3 secs Computing kpt #: 132 total cpu time spent up to now is 69.9 secs Computing kpt #: 133 total cpu time spent up to now is 70.3 secs Computing kpt #: 134 total cpu time spent up to now is 70.9 secs Computing kpt #: 135 total cpu time spent up to now is 71.4 secs Computing kpt #: 136 total cpu time spent up to now is 71.9 secs Computing kpt #: 137 total cpu time spent up to now is 72.4 secs Computing kpt #: 138 total cpu time spent up to now is 72.9 secs Computing kpt #: 139 total cpu time spent up to now is 73.5 secs Computing kpt #: 140 total cpu time spent up to now is 74.1 secs Computing kpt #: 141 total cpu time spent up to now is 74.6 secs Computing kpt #: 142 total cpu time spent up to now is 75.2 secs Computing kpt #: 143 total cpu time spent up to now is 75.7 secs Computing kpt #: 144 total cpu time spent up to now is 76.2 secs Computing kpt #: 145 total cpu time spent up to now is 76.7 secs Computing kpt #: 146 total cpu time spent up to now is 77.2 secs Computing kpt #: 147 total cpu time spent up to now is 77.7 secs Computing kpt #: 148 total cpu time spent up to now is 78.2 secs Computing kpt #: 149 total cpu time spent up to now is 78.7 secs Computing kpt #: 150 total cpu time spent up to now is 79.1 secs Computing kpt #: 151 total cpu time spent up to now is 79.6 secs Computing kpt #: 152 total cpu time spent up to now is 80.1 secs Computing kpt #: 153 total cpu time spent up to now is 80.6 secs Computing kpt #: 154 total cpu time spent up to now is 81.1 secs Computing kpt #: 155 total cpu time spent up to now is 81.5 secs Computing kpt #: 156 total cpu time spent up to now is 82.0 secs Computing kpt #: 157 total cpu time spent up to now is 82.5 secs Computing kpt #: 158 total cpu time spent up to now is 82.9 secs Computing kpt #: 159 total cpu time spent up to now is 83.4 secs Computing kpt #: 160 total cpu time spent up to now is 83.8 secs Computing kpt #: 161 total cpu time spent up to now is 84.3 secs Computing kpt #: 162 total cpu time spent up to now is 84.8 secs Computing kpt #: 163 total cpu time spent up to now is 85.3 secs Computing kpt #: 164 total cpu time spent up to now is 85.7 secs Computing kpt #: 165 total cpu time spent up to now is 86.2 secs Computing kpt #: 166 total cpu time spent up to now is 86.6 secs Computing kpt #: 167 total cpu time spent up to now is 87.1 secs Computing kpt #: 168 total cpu time spent up to now is 87.6 secs Computing kpt #: 169 total cpu time spent up to now is 88.0 secs Computing kpt #: 170 total cpu time spent up to now is 88.5 secs Computing kpt #: 171 total cpu time spent up to now is 88.9 secs Computing kpt #: 172 total cpu time spent up to now is 89.3 secs Computing kpt #: 173 total cpu time spent up to now is 89.8 secs Computing kpt #: 174 total cpu time spent up to now is 90.2 secs Computing kpt #: 175 total cpu time spent up to now is 90.7 secs Computing kpt #: 176 total cpu time spent up to now is 91.1 secs Computing kpt #: 177 total cpu time spent up to now is 91.5 secs Computing kpt #: 178 total cpu time spent up to now is 92.0 secs Computing kpt #: 179 total cpu time spent up to now is 92.4 secs Computing kpt #: 180 total cpu time spent up to now is 92.9 secs Computing kpt #: 181 total cpu time spent up to now is 93.3 secs Computing kpt #: 182 total cpu time spent up to now is 93.8 secs Computing kpt #: 183 total cpu time spent up to now is 94.2 secs Computing kpt #: 184 total cpu time spent up to now is 94.7 secs Computing kpt #: 185 total cpu time spent up to now is 95.1 secs Computing kpt #: 186 total cpu time spent up to now is 95.6 secs Computing kpt #: 187 total cpu time spent up to now is 96.0 secs Computing kpt #: 188 total cpu time spent up to now is 96.4 secs Computing kpt #: 189 total cpu time spent up to now is 96.9 secs Computing kpt #: 190 total cpu time spent up to now is 97.3 secs Computing kpt #: 191 total cpu time spent up to now is 97.8 secs Computing kpt #: 192 total cpu time spent up to now is 98.2 secs Computing kpt #: 193 total cpu time spent up to now is 98.6 secs Computing kpt #: 194 total cpu time spent up to now is 99.1 secs Computing kpt #: 195 total cpu time spent up to now is 99.5 secs Computing kpt #: 196 total cpu time spent up to now is 100.0 secs Computing kpt #: 197 total cpu time spent up to now is 100.4 secs Computing kpt #: 198 total cpu time spent up to now is 100.8 secs Computing kpt #: 199 total cpu time spent up to now is 101.3 secs Computing kpt #: 200 total cpu time spent up to now is 101.8 secs Computing kpt #: 201 total cpu time spent up to now is 102.2 secs Computing kpt #: 202 total cpu time spent up to now is 102.7 secs Computing kpt #: 203 total cpu time spent up to now is 103.1 secs Computing kpt #: 204 total cpu time spent up to now is 103.6 secs Computing kpt #: 205 total cpu time spent up to now is 104.1 secs Computing kpt #: 206 total cpu time spent up to now is 104.6 secs Computing kpt #: 207 total cpu time spent up to now is 105.1 secs Computing kpt #: 208 total cpu time spent up to now is 105.7 secs Computing kpt #: 209 total cpu time spent up to now is 106.2 secs Computing kpt #: 210 total cpu time spent up to now is 106.7 secs Computing kpt #: 211 total cpu time spent up to now is 107.2 secs Computing kpt #: 212 total cpu time spent up to now is 107.7 secs Computing kpt #: 213 total cpu time spent up to now is 108.2 secs Computing kpt #: 214 total cpu time spent up to now is 108.8 secs Computing kpt #: 215 total cpu time spent up to now is 109.3 secs Computing kpt #: 216 total cpu time spent up to now is 109.8 secs Computing kpt #: 217 total cpu time spent up to now is 110.2 secs Computing kpt #: 218 total cpu time spent up to now is 110.7 secs Computing kpt #: 219 total cpu time spent up to now is 111.2 secs Computing kpt #: 220 total cpu time spent up to now is 111.6 secs Computing kpt #: 221 total cpu time spent up to now is 112.1 secs Computing kpt #: 222 total cpu time spent up to now is 112.5 secs Computing kpt #: 223 total cpu time spent up to now is 112.9 secs Computing kpt #: 224 total cpu time spent up to now is 113.4 secs Computing kpt #: 225 total cpu time spent up to now is 113.8 secs Computing kpt #: 226 total cpu time spent up to now is 114.2 secs Computing kpt #: 227 total cpu time spent up to now is 114.7 secs Computing kpt #: 228 total cpu time spent up to now is 115.1 secs Computing kpt #: 229 total cpu time spent up to now is 115.5 secs Computing kpt #: 230 total cpu time spent up to now is 116.0 secs Computing kpt #: 231 total cpu time spent up to now is 116.4 secs Computing kpt #: 232 total cpu time spent up to now is 116.9 secs Computing kpt #: 233 total cpu time spent up to now is 117.3 secs Computing kpt #: 234 total cpu time spent up to now is 117.8 secs Computing kpt #: 235 total cpu time spent up to now is 118.2 secs Computing kpt #: 236 total cpu time spent up to now is 118.7 secs Computing kpt #: 237 total cpu time spent up to now is 119.2 secs Computing kpt #: 238 total cpu time spent up to now is 119.6 secs Computing kpt #: 239 total cpu time spent up to now is 120.1 secs Computing kpt #: 240 total cpu time spent up to now is 120.6 secs Computing kpt #: 241 total cpu time spent up to now is 121.0 secs Computing kpt #: 242 total cpu time spent up to now is 121.5 secs Computing kpt #: 243 total cpu time spent up to now is 122.0 secs Computing kpt #: 244 total cpu time spent up to now is 122.5 secs Computing kpt #: 245 total cpu time spent up to now is 123.0 secs Computing kpt #: 246 total cpu time spent up to now is 123.5 secs Computing kpt #: 247 total cpu time spent up to now is 124.0 secs Computing kpt #: 248 total cpu time spent up to now is 124.5 secs Computing kpt #: 249 total cpu time spent up to now is 125.0 secs Computing kpt #: 250 total cpu time spent up to now is 125.4 secs Computing kpt #: 251 total cpu time spent up to now is 125.9 secs Computing kpt #: 252 total cpu time spent up to now is 126.4 secs Computing kpt #: 253 total cpu time spent up to now is 126.9 secs Computing kpt #: 254 total cpu time spent up to now is 127.4 secs Computing kpt #: 255 total cpu time spent up to now is 127.8 secs Computing kpt #: 256 total cpu time spent up to now is 128.3 secs Computing kpt #: 257 total cpu time spent up to now is 128.7 secs Computing kpt #: 258 total cpu time spent up to now is 129.2 secs Computing kpt #: 259 total cpu time spent up to now is 129.6 secs Computing kpt #: 260 total cpu time spent up to now is 130.1 secs Computing kpt #: 261 total cpu time spent up to now is 130.5 secs Computing kpt #: 262 total cpu time spent up to now is 131.0 secs Computing kpt #: 263 total cpu time spent up to now is 131.4 secs Computing kpt #: 264 total cpu time spent up to now is 131.8 secs Computing kpt #: 265 total cpu time spent up to now is 132.2 secs Computing kpt #: 266 total cpu time spent up to now is 132.7 secs Computing kpt #: 267 total cpu time spent up to now is 133.1 secs Computing kpt #: 268 total cpu time spent up to now is 133.5 secs Computing kpt #: 269 total cpu time spent up to now is 133.9 secs Computing kpt #: 270 total cpu time spent up to now is 134.3 secs Computing kpt #: 271 total cpu time spent up to now is 134.8 secs Computing kpt #: 272 total cpu time spent up to now is 135.2 secs Computing kpt #: 273 total cpu time spent up to now is 135.6 secs Computing kpt #: 274 total cpu time spent up to now is 136.1 secs Computing kpt #: 275 total cpu time spent up to now is 136.5 secs Computing kpt #: 276 total cpu time spent up to now is 137.0 secs Computing kpt #: 277 total cpu time spent up to now is 137.4 secs Computing kpt #: 278 total cpu time spent up to now is 137.9 secs Computing kpt #: 279 total cpu time spent up to now is 138.4 secs Computing kpt #: 280 total cpu time spent up to now is 138.9 secs Computing kpt #: 281 total cpu time spent up to now is 139.3 secs Computing kpt #: 282 total cpu time spent up to now is 139.9 secs Computing kpt #: 283 total cpu time spent up to now is 140.4 secs Computing kpt #: 284 total cpu time spent up to now is 140.9 secs Computing kpt #: 285 total cpu time spent up to now is 141.4 secs Computing kpt #: 286 total cpu time spent up to now is 141.9 secs Computing kpt #: 287 total cpu time spent up to now is 142.4 secs Computing kpt #: 288 total cpu time spent up to now is 142.9 secs Computing kpt #: 289 total cpu time spent up to now is 143.4 secs Computing kpt #: 290 total cpu time spent up to now is 143.8 secs Computing kpt #: 291 total cpu time spent up to now is 144.3 secs Computing kpt #: 292 total cpu time spent up to now is 144.8 secs Computing kpt #: 293 total cpu time spent up to now is 145.3 secs Computing kpt #: 294 total cpu time spent up to now is 145.7 secs Computing kpt #: 295 total cpu time spent up to now is 146.2 secs Computing kpt #: 296 total cpu time spent up to now is 146.7 secs Computing kpt #: 297 total cpu time spent up to now is 147.2 secs Computing kpt #: 298 total cpu time spent up to now is 147.6 secs Computing kpt #: 299 total cpu time spent up to now is 148.1 secs Computing kpt #: 300 total cpu time spent up to now is 148.6 secs Computing kpt #: 301 total cpu time spent up to now is 149.1 secs Computing kpt #: 302 total cpu time spent up to now is 149.6 secs Computing kpt #: 303 total cpu time spent up to now is 150.0 secs Computing kpt #: 304 total cpu time spent up to now is 150.5 secs Computing kpt #: 305 total cpu time spent up to now is 151.0 secs Computing kpt #: 306 total cpu time spent up to now is 151.5 secs Computing kpt #: 307 total cpu time spent up to now is 152.0 secs Computing kpt #: 308 total cpu time spent up to now is 152.4 secs Computing kpt #: 309 total cpu time spent up to now is 152.9 secs Computing kpt #: 310 total cpu time spent up to now is 153.4 secs Computing kpt #: 311 total cpu time spent up to now is 153.9 secs Computing kpt #: 312 total cpu time spent up to now is 154.4 secs Computing kpt #: 313 total cpu time spent up to now is 154.9 secs Computing kpt #: 314 total cpu time spent up to now is 155.5 secs Computing kpt #: 315 total cpu time spent up to now is 156.0 secs Computing kpt #: 316 total cpu time spent up to now is 156.5 secs Computing kpt #: 317 total cpu time spent up to now is 157.0 secs Computing kpt #: 318 total cpu time spent up to now is 157.5 secs Computing kpt #: 319 total cpu time spent up to now is 158.0 secs Computing kpt #: 320 total cpu time spent up to now is 158.4 secs Computing kpt #: 321 total cpu time spent up to now is 158.9 secs Computing kpt #: 322 total cpu time spent up to now is 159.3 secs Computing kpt #: 323 total cpu time spent up to now is 159.8 secs Computing kpt #: 324 total cpu time spent up to now is 160.2 secs Computing kpt #: 325 total cpu time spent up to now is 160.7 secs Computing kpt #: 326 total cpu time spent up to now is 161.1 secs Computing kpt #: 327 total cpu time spent up to now is 161.6 secs Computing kpt #: 328 total cpu time spent up to now is 162.0 secs Computing kpt #: 329 total cpu time spent up to now is 162.5 secs Computing kpt #: 330 total cpu time spent up to now is 163.0 secs Computing kpt #: 331 total cpu time spent up to now is 163.5 secs Computing kpt #: 332 total cpu time spent up to now is 164.1 secs Computing kpt #: 333 total cpu time spent up to now is 164.6 secs Computing kpt #: 334 total cpu time spent up to now is 165.0 secs Computing kpt #: 335 total cpu time spent up to now is 165.5 secs Computing kpt #: 336 total cpu time spent up to now is 165.9 secs Computing kpt #: 337 total cpu time spent up to now is 166.4 secs Computing kpt #: 338 total cpu time spent up to now is 166.8 secs Computing kpt #: 339 total cpu time spent up to now is 167.2 secs Computing kpt #: 340 total cpu time spent up to now is 167.7 secs Computing kpt #: 341 total cpu time spent up to now is 168.1 secs Computing kpt #: 342 total cpu time spent up to now is 168.6 secs Computing kpt #: 343 total cpu time spent up to now is 169.0 secs Computing kpt #: 344 total cpu time spent up to now is 169.5 secs Computing kpt #: 345 total cpu time spent up to now is 169.9 secs Computing kpt #: 346 total cpu time spent up to now is 170.4 secs Computing kpt #: 347 total cpu time spent up to now is 170.8 secs Computing kpt #: 348 total cpu time spent up to now is 171.3 secs Computing kpt #: 349 total cpu time spent up to now is 171.8 secs Computing kpt #: 350 total cpu time spent up to now is 172.3 secs Computing kpt #: 351 total cpu time spent up to now is 172.7 secs Computing kpt #: 352 total cpu time spent up to now is 173.2 secs Computing kpt #: 353 total cpu time spent up to now is 173.7 secs Computing kpt #: 354 total cpu time spent up to now is 174.1 secs Computing kpt #: 355 total cpu time spent up to now is 174.6 secs Computing kpt #: 356 total cpu time spent up to now is 175.1 secs Computing kpt #: 357 total cpu time spent up to now is 175.5 secs Computing kpt #: 358 total cpu time spent up to now is 176.0 secs Computing kpt #: 359 total cpu time spent up to now is 176.5 secs Computing kpt #: 360 total cpu time spent up to now is 177.0 secs Computing kpt #: 361 total cpu time spent up to now is 177.5 secs Computing kpt #: 362 total cpu time spent up to now is 177.9 secs Computing kpt #: 363 total cpu time spent up to now is 178.4 secs Computing kpt #: 364 total cpu time spent up to now is 178.9 secs Computing kpt #: 365 total cpu time spent up to now is 179.4 secs Computing kpt #: 366 total cpu time spent up to now is 179.9 secs Computing kpt #: 367 total cpu time spent up to now is 180.4 secs Computing kpt #: 368 total cpu time spent up to now is 180.9 secs Computing kpt #: 369 total cpu time spent up to now is 181.3 secs Computing kpt #: 370 total cpu time spent up to now is 181.8 secs Computing kpt #: 371 total cpu time spent up to now is 182.3 secs Computing kpt #: 372 total cpu time spent up to now is 182.8 secs Computing kpt #: 373 total cpu time spent up to now is 183.2 secs Computing kpt #: 374 total cpu time spent up to now is 183.6 secs Computing kpt #: 375 total cpu time spent up to now is 184.1 secs Computing kpt #: 376 total cpu time spent up to now is 184.5 secs Computing kpt #: 377 total cpu time spent up to now is 184.9 secs Computing kpt #: 378 total cpu time spent up to now is 185.4 secs Computing kpt #: 379 total cpu time spent up to now is 185.8 secs Computing kpt #: 380 total cpu time spent up to now is 186.2 secs Computing kpt #: 381 total cpu time spent up to now is 186.7 secs Computing kpt #: 382 total cpu time spent up to now is 187.1 secs Computing kpt #: 383 total cpu time spent up to now is 187.6 secs Computing kpt #: 384 total cpu time spent up to now is 188.0 secs Computing kpt #: 385 total cpu time spent up to now is 188.5 secs Computing kpt #: 386 total cpu time spent up to now is 188.9 secs Computing kpt #: 387 total cpu time spent up to now is 189.4 secs Computing kpt #: 388 total cpu time spent up to now is 189.9 secs Computing kpt #: 389 total cpu time spent up to now is 190.4 secs Computing kpt #: 390 total cpu time spent up to now is 190.9 secs Computing kpt #: 391 total cpu time spent up to now is 191.5 secs Computing kpt #: 392 total cpu time spent up to now is 192.1 secs Computing kpt #: 393 total cpu time spent up to now is 192.7 secs Computing kpt #: 394 total cpu time spent up to now is 193.4 secs Computing kpt #: 395 total cpu time spent up to now is 194.0 secs Computing kpt #: 396 total cpu time spent up to now is 194.6 secs Computing kpt #: 397 total cpu time spent up to now is 195.3 secs Computing kpt #: 398 total cpu time spent up to now is 195.9 secs Computing kpt #: 399 total cpu time spent up to now is 196.5 secs Computing kpt #: 400 total cpu time spent up to now is 197.1 secs Computing kpt #: 401 total cpu time spent up to now is 197.7 secs Computing kpt #: 402 total cpu time spent up to now is 198.3 secs Computing kpt #: 403 total cpu time spent up to now is 198.9 secs Computing kpt #: 404 total cpu time spent up to now is 199.5 secs Computing kpt #: 405 total cpu time spent up to now is 200.1 secs Computing kpt #: 406 total cpu time spent up to now is 200.6 secs Computing kpt #: 407 total cpu time spent up to now is 201.1 secs Computing kpt #: 408 total cpu time spent up to now is 201.6 secs Computing kpt #: 409 total cpu time spent up to now is 202.0 secs Computing kpt #: 410 total cpu time spent up to now is 202.5 secs Computing kpt #: 411 total cpu time spent up to now is 203.0 secs Computing kpt #: 412 total cpu time spent up to now is 203.4 secs Computing kpt #: 413 total cpu time spent up to now is 203.9 secs Computing kpt #: 414 total cpu time spent up to now is 204.3 secs Computing kpt #: 415 total cpu time spent up to now is 204.7 secs Computing kpt #: 416 total cpu time spent up to now is 205.2 secs Computing kpt #: 417 total cpu time spent up to now is 205.6 secs Computing kpt #: 418 total cpu time spent up to now is 206.0 secs Computing kpt #: 419 total cpu time spent up to now is 206.5 secs Computing kpt #: 420 total cpu time spent up to now is 206.9 secs Computing kpt #: 421 total cpu time spent up to now is 207.3 secs Computing kpt #: 422 total cpu time spent up to now is 207.8 secs Computing kpt #: 423 total cpu time spent up to now is 208.2 secs Computing kpt #: 424 total cpu time spent up to now is 208.6 secs ethr = 1.79E-08, avg # of iterations = 16.5 total cpu time spent up to now is 208.6 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3777 PWs) bands (ev): -5.4545 -5.4545 -3.6604 -3.6604 4.2315 4.2315 4.7261 4.7261 4.7759 4.7759 4.9972 4.9972 5.0325 5.0325 5.0969 5.0969 5.1233 5.1233 5.2757 5.2757 5.3318 5.3318 5.8761 5.8761 5.9364 5.9364 6.1467 6.1467 6.1990 6.1990 6.3035 6.3035 6.4989 6.4989 6.6268 6.6268 6.8092 6.8092 6.8564 6.8564 6.9128 6.9128 7.2239 7.2239 7.3576 7.3576 7.4438 7.4438 7.6840 7.6840 8.3862 8.3862 8.8351 8.8351 9.6019 9.6019 10.2499 10.2499 12.1436 12.1436 13.2564 13.2564 14.9168 14.9168 15.2931 15.2931 15.3387 15.3387 k = 0.0128-0.0000-0.0000 ( 3771 PWs) bands (ev): -5.4537 -5.4537 -3.6609 -3.6609 4.2327 4.2327 4.7250 4.7250 4.7768 4.7768 4.9897 4.9897 5.0305 5.0305 5.1013 5.1013 5.1278 5.1278 5.2738 5.2738 5.3356 5.3356 5.8752 5.8752 5.9367 5.9367 6.1464 6.1464 6.1985 6.1985 6.3029 6.3029 6.4989 6.4989 6.6268 6.6268 6.8092 6.8092 6.8566 6.8566 6.9134 6.9134 7.2239 7.2239 7.3571 7.3571 7.4434 7.4434 7.6818 7.6818 8.3853 8.3853 8.8356 8.8356 9.5977 9.5977 10.2529 10.2529 12.1468 12.1468 13.2560 13.2560 14.9179 14.9179 15.2907 15.2907 15.3347 15.3347 k = 0.0256-0.0000-0.0000 ( 3771 PWs) bands (ev): -5.4513 -5.4513 -3.6624 -3.6624 4.2363 4.2363 4.7213 4.7213 4.7794 4.7794 4.9724 4.9724 5.0237 5.0237 5.1120 5.1120 5.1387 5.1387 5.2704 5.2704 5.3453 5.3453 5.8724 5.8724 5.9374 5.9374 6.1456 6.1456 6.1970 6.1970 6.3009 6.3009 6.4991 6.4991 6.6269 6.6269 6.8093 6.8093 6.8573 6.8573 6.9152 6.9152 7.2240 7.2240 7.3556 7.3556 7.4420 7.4420 7.6752 7.6752 8.3828 8.3828 8.8370 8.8370 9.5856 9.5856 10.2616 10.2616 12.1561 12.1561 13.2550 13.2550 14.9211 14.9211 15.2833 15.2833 15.3229 15.3229 k = 0.0385-0.0000-0.0000 ( 3765 PWs) bands (ev): -5.4473 -5.4473 -3.6649 -3.6649 4.2424 4.2424 4.7150 4.7150 4.7834 4.7834 4.9521 4.9521 5.0136 5.0136 5.1238 5.1238 5.1513 5.1513 5.2707 5.2707 5.3579 5.3579 5.8679 5.8679 5.9387 5.9387 6.1442 6.1442 6.1946 6.1946 6.2979 6.2979 6.4994 6.4994 6.6271 6.6271 6.8092 6.8092 6.8586 6.8586 6.9182 6.9182 7.2241 7.2241 7.3532 7.3532 7.4396 7.4396 7.6645 7.6645 8.3786 8.3786 8.8392 8.8392 9.5663 9.5663 10.2753 10.2753 12.1707 12.1707 13.2541 13.2541 14.9256 14.9256 15.2712 15.2712 15.3045 15.3045 k = 0.0513-0.0000-0.0000 ( 3765 PWs) bands (ev): -5.4416 -5.4416 -3.6685 -3.6685 4.2507 4.2507 4.7055 4.7055 4.7887 4.7887 4.9324 4.9324 5.0019 5.0019 5.1310 5.1310 5.1639 5.1639 5.2786 5.2786 5.3718 5.3718 5.8620 5.8620 5.9402 5.9402 6.1421 6.1421 6.1910 6.1910 6.2941 6.2941 6.4998 6.4998 6.6273 6.6273 6.8086 6.8086 6.8608 6.8608 6.9222 6.9222 7.2240 7.2240 7.3498 7.3498 7.4360 7.4360 7.6501 7.6501 8.3727 8.3727 8.8422 8.8422 9.5410 9.5410 10.2928 10.2928 12.1889 12.1889 13.2543 13.2543 14.9302 14.9302 15.2546 15.2546 15.2818 15.2818 k = 0.0641-0.0000-0.0000 ( 3763 PWs) bands (ev): -5.4344 -5.4344 -3.6730 -3.6730 4.2614 4.2614 4.6921 4.6921 4.7952 4.7952 4.9154 4.9154 4.9900 4.9900 5.1295 5.1295 5.1784 5.1784 5.2948 5.2948 5.3861 5.3861 5.8548 5.8548 5.9422 5.9422 6.1392 6.1392 6.1862 6.1862 6.2898 6.2898 6.5003 6.5003 6.6275 6.6275 6.8072 6.8072 6.8642 6.8642 6.9272 6.9272 7.2238 7.2238 7.3455 7.3455 7.4312 7.4312 7.6326 7.6326 8.3652 8.3652 8.8457 8.8457 9.5108 9.5108 10.3132 10.3132 12.2088 12.2088 13.2570 13.2570 14.9330 14.9330 15.2320 15.2320 15.2594 15.2594 k = 0.0769-0.0000-0.0000 ( 3759 PWs) bands (ev): -5.4256 -5.4256 -3.6786 -3.6786 4.2743 4.2743 4.6746 4.6746 4.8026 4.8026 4.9025 4.9025 4.9782 4.9782 5.1203 5.1203 5.1949 5.1949 5.3171 5.3171 5.4003 5.4003 5.8466 5.8466 5.9447 5.9447 6.1354 6.1354 6.1801 6.1801 6.2856 6.2856 6.5009 6.5009 6.6278 6.6278 6.8047 6.8047 6.8691 6.8691 6.9331 6.9331 7.2233 7.2233 7.3403 7.3403 7.4249 7.4249 7.6127 7.6127 8.3560 8.3560 8.8498 8.8498 9.4769 9.4769 10.3353 10.3353 12.2276 12.2276 13.2643 13.2643 14.9313 14.9313 15.2003 15.2003 15.2447 15.2447 k = 0.0897-0.0000-0.0000 ( 3755 PWs) bands (ev): -5.4152 -5.4152 -3.6851 -3.6851 4.2893 4.2893 4.6529 4.6529 4.8110 4.8110 4.8939 4.8939 4.9668 4.9668 5.1064 5.1064 5.2124 5.2124 5.3428 5.3428 5.4144 5.4144 5.8378 5.8378 5.9478 5.9478 6.1305 6.1305 6.1725 6.1725 6.2818 6.2818 6.5017 6.5017 6.6280 6.6280 6.8011 6.8011 6.8753 6.8753 6.9398 6.9398 7.2223 7.2223 7.3344 7.3344 7.4167 7.4167 7.5913 7.5913 8.3453 8.3453 8.8542 8.8542 9.4403 9.4403 10.3584 10.3584 12.2420 12.2420 13.2783 13.2783 14.9230 14.9230 15.1599 15.1599 15.2410 15.2410 k = 0.1026-0.0000-0.0000 ( 3755 PWs) bands (ev): -5.4033 -5.4033 -3.6928 -3.6928 4.3064 4.3064 4.6276 4.6276 4.8200 4.8200 4.8897 4.8897 4.9560 4.9560 5.0900 5.0900 5.2302 5.2302 5.3703 5.3703 5.4279 5.4279 5.8285 5.8285 5.9515 5.9515 6.1245 6.1245 6.1633 6.1633 6.2790 6.2790 6.5025 6.5025 6.6283 6.6283 6.7964 6.7964 6.8827 6.8827 6.9471 6.9471 7.2206 7.2206 7.3278 7.3278 7.4065 7.4065 7.5694 7.5694 8.3330 8.3330 8.8587 8.8587 9.4019 9.4019 10.3817 10.3817 12.2488 12.2488 13.3013 13.3013 14.9075 14.9075 15.1123 15.1123 15.2496 15.2496 k = 0.1154-0.0000-0.0000 ( 3765 PWs) bands (ev): -5.3898 -5.3898 -3.7015 -3.7015 4.3253 4.3253 4.5995 4.5995 4.8298 4.8298 4.8890 4.8890 4.9457 4.9457 5.0722 5.0722 5.2477 5.2477 5.3984 5.3984 5.4407 5.4407 5.8190 5.8190 5.9562 5.9562 6.1172 6.1172 6.1528 6.1528 6.2772 6.2772 6.5035 6.5035 6.6284 6.6284 6.7908 6.7908 6.8912 6.8912 6.9550 6.9550 7.2179 7.2179 7.3206 7.3206 7.3937 7.3937 7.5478 7.5478 8.3192 8.3192 8.8633 8.8633 9.3624 9.3624 10.4046 10.4046 12.2452 12.2452 13.3347 13.3347 14.8866 14.8866 15.0582 15.0582 15.2700 15.2700 k = 0.1282-0.0000-0.0000 ( 3757 PWs) bands (ev): -5.3749 -5.3749 -3.7113 -3.7113 4.3458 4.3458 4.5698 4.5698 4.8400 4.8400 4.8912 4.8912 4.9360 4.9360 5.0542 5.0542 5.2648 5.2648 5.4266 5.4266 5.4529 5.4529 5.8098 5.8098 5.9619 5.9619 6.1085 6.1085 6.1413 6.1413 6.2768 6.2768 6.5046 6.5046 6.6286 6.6286 6.7842 6.7842 6.9006 6.9006 6.9635 6.9635 7.2140 7.2140 7.3129 7.3129 7.3783 7.3783 7.5277 7.5277 8.3038 8.3038 8.8679 8.8679 9.3225 9.3225 10.4267 10.4267 12.2294 12.2294 13.3790 13.3790 14.8630 14.8630 14.9987 14.9987 15.3008 15.3008 k = 0.1410-0.0000-0.0000 ( 3745 PWs) bands (ev): -5.3584 -5.3584 -3.7223 -3.7223 4.3670 4.3670 4.5396 4.5396 4.8506 4.8506 4.8954 4.8954 4.9266 4.9266 5.0368 5.0368 5.2812 5.2812 5.4533 5.4533 5.4653 5.4653 5.8010 5.8010 5.9686 5.9686 6.0982 6.0982 6.1292 6.1292 6.2778 6.2778 6.5059 6.5059 6.6287 6.6287 6.7769 6.7769 6.9108 6.9108 6.9724 6.9724 7.2085 7.2085 7.3042 7.3042 7.3608 7.3608 7.5096 7.5096 8.2871 8.2871 8.8725 8.8725 9.2828 9.2828 10.4477 10.4477 12.2006 12.2006 13.4330 13.4330 14.8379 14.8379 14.9373 14.9373 15.3403 15.3403 k = 0.1538-0.0000-0.0000 ( 3745 PWs) bands (ev): -5.3405 -5.3405 -3.7343 -3.7343 4.3876 4.3876 4.5108 4.5108 4.8611 4.8611 4.9007 4.9007 4.9176 4.9176 5.0212 5.0212 5.2964 5.2964 5.4698 5.4698 5.4864 5.4864 5.7932 5.7932 5.9762 5.9762 6.0863 6.0863 6.1169 6.1169 6.2799 6.2799 6.5072 6.5072 6.6288 6.6288 6.7688 6.7688 6.9215 6.9215 6.9816 6.9816 7.2011 7.2011 7.2936 7.2936 7.3423 7.3423 7.4935 7.4935 8.2689 8.2689 8.8769 8.8769 9.2436 9.2436 10.4672 10.4672 12.1592 12.1592 13.4940 13.4940 14.8036 14.8036 14.8866 14.8866 15.3870 15.3870 k = 0.1667-0.0000-0.0000 ( 3749 PWs) bands (ev): -5.3211 -5.3211 -3.7474 -3.7474 4.4028 4.4028 4.4884 4.4884 4.8705 4.8705 4.9050 4.9050 4.9101 4.9101 5.0089 5.0089 5.3106 5.3106 5.4781 5.4781 5.5136 5.5136 5.7866 5.7866 5.9842 5.9842 6.0736 6.0736 6.1049 6.1049 6.2831 6.2831 6.5086 6.5086 6.6288 6.6288 6.7600 6.7600 6.9327 6.9327 6.9910 6.9910 7.1917 7.1917 7.2795 7.2795 7.3256 7.3256 7.4794 7.4794 8.2495 8.2495 8.8811 8.8811 9.2053 9.2053 10.4850 10.4850 12.1065 12.1065 13.5582 13.5582 14.7442 14.7442 14.8675 14.8675 15.4400 15.4400 k = 0.1795-0.0000-0.0000 ( 3765 PWs) bands (ev): -5.3003 -5.3003 -3.7617 -3.7617 4.4010 4.4010 4.4840 4.4840 4.8748 4.8748 4.9025 4.9025 4.9122 4.9122 5.0016 5.0016 5.3234 5.3234 5.4835 5.4835 5.5413 5.5413 5.7816 5.7816 5.9911 5.9911 6.0616 6.0616 6.0933 6.0933 6.2875 6.2875 6.5101 6.5101 6.6286 6.6286 6.7505 6.7505 6.9441 6.9441 7.0006 7.0006 7.1801 7.1801 7.2601 7.2601 7.3130 7.3130 7.4668 7.4668 8.2287 8.2287 8.8851 8.8851 9.1683 9.1683 10.5010 10.5010 12.0440 12.0440 13.6209 13.6209 14.6674 14.6674 14.8773 14.8773 15.4985 15.4985 k = 0.1923-0.0000-0.0000 ( 3761 PWs) bands (ev): -5.2782 -5.2782 -3.7772 -3.7772 4.3805 4.3805 4.4990 4.4990 4.8685 4.8685 4.9048 4.9048 4.9176 4.9176 5.0003 5.0003 5.3350 5.3350 5.4865 5.4865 5.5692 5.5692 5.7784 5.7784 5.9938 5.9938 6.0537 6.0537 6.0820 6.0820 6.2932 6.2932 6.5118 6.5118 6.6284 6.6284 6.7406 6.7406 6.9555 6.9555 7.0104 7.0104 7.1664 7.1664 7.2368 7.2368 7.3042 7.3042 7.4552 7.4552 8.2067 8.2067 8.8890 8.8890 9.1329 9.1329 10.5151 10.5151 11.9733 11.9733 13.6773 13.6773 14.5835 14.5835 14.9107 14.9107 15.5620 15.5620 k = 0.2051-0.0000-0.0000 ( 3751 PWs) bands (ev): -5.2547 -5.2547 -3.7938 -3.7938 4.3527 4.3527 4.5217 4.5217 4.8556 4.8556 4.9082 4.9082 4.9262 4.9262 5.0044 5.0044 5.3456 5.3456 5.4870 5.4870 5.5973 5.5973 5.7771 5.7771 5.9886 5.9886 6.0532 6.0532 6.0717 6.0717 6.3002 6.3002 6.5135 6.5135 6.6281 6.6281 6.7303 6.7303 6.9667 6.9667 7.0204 7.0204 7.1507 7.1507 7.2116 7.2116 7.2978 7.2978 7.4444 7.4444 8.1836 8.1836 8.8927 8.8927 9.0993 9.0993 10.5271 10.5271 11.8960 11.8960 13.7235 13.7235 14.4963 14.4963 14.9677 14.9677 15.6301 15.6301 k = 0.2179-0.0000-0.0000 ( 3749 PWs) bands (ev): -5.2300 -5.2300 -3.8116 -3.8116 4.3232 4.3232 4.5455 4.5455 4.8413 4.8413 4.9097 4.9097 4.9382 4.9382 5.0125 5.0125 5.3552 5.3552 5.4851 5.4851 5.6255 5.6255 5.7773 5.7773 5.9765 5.9765 6.0537 6.0537 6.0674 6.0674 6.3086 6.3086 6.5153 6.5153 6.6277 6.6277 6.7196 6.7196 6.9770 6.9770 7.0305 7.0305 7.1333 7.1333 7.1863 7.1863 7.2925 7.2925 7.4339 7.4339 8.1594 8.1594 8.8962 8.8962 9.0676 9.0676 10.5370 10.5370 11.8137 11.8137 13.7571 13.7571 14.4076 14.4076 15.0488 15.0488 15.7024 15.7024 k = 0.2308-0.0000-0.0000 ( 3743 PWs) bands (ev): -5.2039 -5.2039 -3.8306 -3.8306 4.2936 4.2936 4.5670 4.5670 4.8291 4.8291 4.9107 4.9107 4.9519 4.9519 5.0231 5.0231 5.3642 5.3642 5.4811 5.4811 5.6539 5.6539 5.7786 5.7786 5.9615 5.9615 6.0452 6.0452 6.0757 6.0757 6.3188 6.3188 6.5171 6.5171 6.6271 6.6271 6.7087 6.7087 6.9853 6.9853 7.0406 7.0406 7.1154 7.1154 7.1616 7.1616 7.2877 7.2877 7.4235 7.4235 8.1343 8.1343 8.8995 8.8995 9.0381 9.0381 10.5447 10.5447 11.7276 11.7276 13.7777 13.7777 14.3188 14.3188 15.1530 15.1530 15.7787 15.7787 k = 0.2436-0.0000-0.0000 ( 3741 PWs) bands (ev): -5.1767 -5.1767 -3.8507 -3.8507 4.2648 4.2648 4.5829 4.5829 4.8221 4.8221 4.9119 4.9119 4.9665 4.9665 5.0350 5.0350 5.3729 5.3729 5.4754 5.4754 5.6824 5.6824 5.7802 5.7802 5.9458 5.9458 6.0349 6.0349 6.0869 6.0869 6.3309 6.3309 6.5191 6.5191 6.6264 6.6264 6.6977 6.6977 6.9902 6.9902 7.0502 7.0502 7.0992 7.0992 7.1381 7.1381 7.2833 7.2833 7.4132 7.4132 8.1081 8.1081 8.9026 8.9026 9.0108 9.0108 10.5502 10.5502 11.6390 11.6390 13.7863 13.7863 14.2310 14.2310 15.2780 15.2780 15.8587 15.8587 k = 0.2564-0.0000-0.0000 ( 3747 PWs) bands (ev): -5.1483 -5.1483 -3.8721 -3.8721 4.2372 4.2372 4.5900 4.5900 4.8235 4.8235 4.9137 4.9137 4.9815 4.9815 5.0473 5.0473 5.3813 5.3813 5.4687 5.4687 5.7105 5.7105 5.7813 5.7813 5.9311 5.9311 6.0248 6.0248 6.0977 6.0977 6.3450 6.3450 6.5210 6.5210 6.6256 6.6256 6.6868 6.6868 6.9889 6.9889 7.0570 7.0570 7.0891 7.0891 7.1163 7.1163 7.2788 7.2788 7.4027 7.4027 8.0812 8.0812 8.9054 8.9054 8.9859 8.9859 10.5535 10.5535 11.5490 11.5490 13.7850 13.7850 14.1449 14.1449 15.4209 15.4209 15.9424 15.9424 k = 0.2692-0.0000-0.0000 ( 3739 PWs) bands (ev): -5.1188 -5.1188 -3.8946 -3.8946 4.2111 4.2111 4.5866 4.5866 4.8348 4.8348 4.9164 4.9164 4.9968 4.9968 5.0598 5.0598 5.3899 5.3899 5.4618 5.4618 5.7379 5.7379 5.7813 5.7813 5.9185 5.9185 6.0157 6.0157 6.1071 6.1071 6.3614 6.3614 6.5233 6.5233 6.6246 6.6246 6.6762 6.6762 6.9792 6.9792 7.0578 7.0578 7.0858 7.0858 7.1016 7.1016 7.2744 7.2744 7.3921 7.3921 8.0534 8.0534 8.9081 8.9081 8.9635 8.9635 10.5545 10.5545 11.4586 11.4586 13.7758 13.7758 14.0615 14.0615 15.5785 15.5785 16.0294 16.0294 k = 0.2821-0.0000-0.0000 ( 3741 PWs) bands (ev): -5.0883 -5.0883 -3.9183 -3.9183 4.1867 4.1867 4.5739 4.5739 4.8548 4.8548 4.9200 4.9200 5.0120 5.0120 5.0720 5.0720 5.3984 5.3984 5.4554 5.4554 5.7604 5.7604 5.7829 5.7829 5.9086 5.9086 6.0081 6.0081 6.1144 6.1144 6.3797 6.3797 6.5257 6.5257 6.6234 6.6234 6.6661 6.6661 6.9618 6.9618 7.0517 7.0517 7.0756 7.0756 7.1074 7.1074 7.2699 7.2699 7.3811 7.3811 8.0250 8.0250 8.9104 8.9104 8.9437 8.9437 10.5534 10.5534 11.3685 11.3685 13.7606 13.7606 13.9813 13.9813 15.7478 15.7478 16.1198 16.1198 k = 0.2949-0.0000-0.0000 ( 3743 PWs) bands (ev): -5.0567 -5.0567 -3.9432 -3.9432 4.1642 4.1642 4.5544 4.5544 4.8807 4.8807 4.9246 4.9246 5.0269 5.0269 5.0837 5.0837 5.4063 5.4063 5.4509 5.4509 5.7642 5.7642 5.7984 5.7984 5.9023 5.9023 6.0028 6.0028 6.1195 6.1195 6.3994 6.3994 6.5285 6.5285 6.6222 6.6222 6.6567 6.6567 6.9395 6.9395 7.0357 7.0357 7.0719 7.0719 7.1210 7.1210 7.2654 7.2654 7.3699 7.3699 7.9960 7.9960 8.9115 8.9115 8.9272 8.9272 10.5501 10.5501 11.2798 11.2798 13.7409 13.7409 13.9050 13.9050 15.9262 15.9262 16.2137 16.2137 k = 0.3077-0.0000-0.0000 ( 3734 PWs) bands (ev): -5.0243 -5.0243 -3.9692 -3.9692 4.1438 4.1438 4.5303 4.5303 4.9095 4.9095 4.9307 4.9307 5.0412 5.0412 5.0950 5.0950 5.4124 5.4124 5.4503 5.4503 5.7570 5.7570 5.8186 5.8186 5.9006 5.9006 6.0003 6.0003 6.1225 6.1225 6.4195 6.4195 6.5320 6.5320 6.6210 6.6210 6.6486 6.6486 6.9146 6.9146 7.0149 7.0149 7.0729 7.0729 7.1366 7.1366 7.2612 7.2612 7.3583 7.3583 7.9665 7.9665 8.9065 8.9065 8.9191 8.9191 10.5449 10.5449 11.1930 11.1930 13.7180 13.7180 13.8331 13.8331 16.1103 16.1103 16.3120 16.3120 k = 0.3205-0.0000-0.0000 ( 3728 PWs) bands (ev): -4.9909 -4.9909 -3.9964 -3.9964 4.1255 4.1255 4.5033 4.5033 4.9327 4.9327 4.9443 4.9443 5.0544 5.0544 5.1058 5.1058 5.4158 5.4158 5.4551 5.4551 5.7468 5.7468 5.8319 5.8319 5.9063 5.9063 6.0012 6.0012 6.1236 6.1236 6.4387 6.4387 6.5366 6.5366 6.6200 6.6200 6.6420 6.6420 6.8882 6.8882 6.9927 6.9927 7.0748 7.0748 7.1529 7.1529 7.2575 7.2575 7.3464 7.3464 7.9365 7.9365 8.8954 8.8954 8.9193 8.9193 10.5378 10.5378 11.1088 11.1088 13.6928 13.6928 13.7659 13.7659 16.2940 16.2940 16.4189 16.4189 k = 0.3333-0.0000-0.0000 ( 3732 PWs) bands (ev): -4.9567 -4.9567 -4.0246 -4.0246 4.1095 4.1095 4.4744 4.4744 4.9418 4.9418 4.9725 4.9725 5.0662 5.0662 5.1163 5.1163 5.4179 5.4179 5.4644 5.4644 5.7356 5.7356 5.8345 5.8345 5.9208 5.9208 6.0052 6.0052 6.1233 6.1233 6.4551 6.4551 6.5428 6.5428 6.6195 6.6195 6.6377 6.6377 6.8610 6.8610 6.9700 6.9700 7.0764 7.0764 7.1690 7.1690 7.2553 7.2553 7.3341 7.3341 7.9062 7.9062 8.8851 8.8851 8.9206 8.9206 10.5291 10.5291 11.0280 11.0280 13.6660 13.6660 13.7037 13.7037 16.4556 16.4556 16.5537 16.5537 k = 0.3462-0.0000-0.0000 ( 3736 PWs) bands (ev): -4.9217 -4.9217 -4.0540 -4.0540 4.0959 4.0959 4.4446 4.4446 4.9500 4.9500 5.0008 5.0008 5.0763 5.0763 5.1263 5.1263 5.4211 5.4211 5.4763 5.4763 5.7247 5.7247 5.8291 5.8291 5.9405 5.9405 6.0119 6.0119 6.1225 6.1225 6.4676 6.4676 6.5502 6.5502 6.6193 6.6193 6.6372 6.6372 6.8336 6.8336 6.9472 6.9472 7.0772 7.0772 7.1834 7.1834 7.2556 7.2556 7.3216 7.3216 7.8756 7.8756 8.8768 8.8768 8.9217 8.9217 10.5189 10.5189 10.9509 10.9509 13.6384 13.6384 13.6470 13.6470 16.5777 16.5777 16.7320 16.7320 k = 0.3590-0.0000-0.0000 ( 3746 PWs) bands (ev): -4.8861 -4.8861 -4.0843 -4.0843 4.0848 4.0848 4.4142 4.4142 4.9587 4.9587 5.0268 5.0268 5.0846 5.0846 5.1354 5.1354 5.4273 5.4273 5.4894 5.4894 5.7147 5.7147 5.8192 5.8192 5.9610 5.9610 6.0204 6.0204 6.1224 6.1224 6.4757 6.4757 6.5571 6.5571 6.6187 6.6187 6.6424 6.6424 6.8064 6.8064 6.9244 6.9244 7.0769 7.0769 7.1943 7.1943 7.2605 7.2605 7.3089 7.3089 7.8448 7.8448 8.8706 8.8706 8.9226 8.9226 10.5076 10.5076 10.8781 10.8781 13.5957 13.5957 13.6104 13.6104 16.6854 16.6854 16.9263 16.9263 k = 0.3718-0.0000-0.0000 ( 3750 PWs) bands (ev): -4.8499 -4.8499 -4.1156 -4.1156 4.0762 4.0762 4.3838 4.3838 4.9681 4.9681 5.0496 5.0496 5.0913 5.0913 5.1433 5.1433 5.4375 5.4375 5.5027 5.5027 5.7065 5.7065 5.8068 5.8068 5.9794 5.9794 6.0294 6.0294 6.1251 6.1251 6.4807 6.4807 6.5616 6.5616 6.6173 6.6173 6.6532 6.6532 6.7807 6.7807 6.9018 6.9018 7.0753 7.0753 7.2002 7.2002 7.2714 7.2714 7.2962 7.2962 7.8140 7.8140 8.8663 8.8663 8.9231 8.9231 10.4955 10.4955 10.8100 10.8100 13.5500 13.5500 13.5825 13.5825 16.7897 16.7897 17.1229 17.1229 k = 0.3846-0.0000-0.0000 ( 3750 PWs) bands (ev): -4.8131 -4.8131 -4.1479 -4.1479 4.0702 4.0702 4.3536 4.3536 4.9781 4.9781 5.0688 5.0688 5.0967 5.0967 5.1492 5.1492 5.4520 5.4520 5.5158 5.5158 5.7002 5.7002 5.7930 5.7930 5.9942 5.9942 6.0361 6.0361 6.1335 6.1335 6.4839 6.4839 6.5633 6.5633 6.6155 6.6155 6.6652 6.6652 6.7594 6.7594 6.8798 6.8798 7.0723 7.0723 7.2022 7.2022 7.2813 7.2813 7.2898 7.2898 7.7830 7.7830 8.8638 8.8638 8.9231 8.9231 10.4830 10.4830 10.7471 10.7471 13.5100 13.5100 13.5550 13.5550 16.8927 16.8927 17.3165 17.3165 k = 0.3974-0.0000-0.0000 ( 3750 PWs) bands (ev): -4.7758 -4.7758 -4.1810 -4.1810 4.0667 4.0667 4.3239 4.3239 4.9887 4.9887 5.0842 5.0842 5.1012 5.1012 5.1529 5.1529 5.4705 5.4705 5.5284 5.5284 5.6959 5.6959 5.7783 5.7783 6.0053 6.0053 6.0389 6.0389 6.1490 6.1490 6.4865 6.4865 6.5626 6.5626 6.6131 6.6131 6.6695 6.6695 6.7496 6.7496 6.8591 6.8591 7.0675 7.0675 7.2019 7.2019 7.2702 7.2702 7.3083 7.3083 7.7521 7.7521 8.8631 8.8631 8.9225 8.9225 10.4706 10.4706 10.6896 10.6896 13.4756 13.4756 13.5284 13.5284 16.9944 16.9944 17.5025 17.5025 k = 0.4103-0.0000-0.0000 ( 3746 PWs) bands (ev): -4.7382 -4.7382 -4.2150 -4.2150 4.0659 4.0659 4.2949 4.2949 4.9997 4.9997 5.0949 5.0949 5.1060 5.1060 5.1544 5.1544 5.4920 5.4920 5.5405 5.5405 5.6933 5.6933 5.7635 5.7635 6.0127 6.0127 6.0379 6.0379 6.1710 6.1710 6.4896 6.4896 6.5595 6.5595 6.6090 6.6090 6.6611 6.6611 6.7546 6.7546 6.8415 6.8415 7.0609 7.0609 7.2007 7.2007 7.2583 7.2583 7.3303 7.3303 7.7213 7.7213 8.8638 8.8638 8.9213 8.9213 10.4587 10.4587 10.6377 10.6377 13.4468 13.4468 13.5029 13.5029 17.0943 17.0943 17.6744 17.6744 k = 0.4231-0.0000-0.0000 ( 3738 PWs) bands (ev): -4.7002 -4.7002 -4.2497 -4.2497 4.0676 4.0676 4.2669 4.2669 5.0111 5.0111 5.1001 5.1001 5.1122 5.1122 5.1541 5.1541 5.5154 5.5154 5.5523 5.5523 5.6914 5.6914 5.7492 5.7492 6.0166 6.0166 6.0351 6.0351 6.1976 6.1976 6.4937 6.4937 6.5532 6.5532 6.6005 6.6005 6.6497 6.6497 6.7626 6.7626 6.8321 6.8321 7.0522 7.0522 7.1994 7.1994 7.2471 7.2471 7.3538 7.3538 7.6907 7.6907 8.8659 8.8659 8.9194 8.9194 10.4480 10.4480 10.5917 10.5917 13.4234 13.4234 13.4790 13.4790 17.1916 17.1916 17.8091 17.8091 k = 0.4359-0.0000-0.0000 ( 3734 PWs) bands (ev): -4.6621 -4.6621 -4.2852 -4.2852 4.0719 4.0719 4.2401 4.2401 5.0227 5.0227 5.1015 5.1015 5.1186 5.1186 5.1525 5.1525 5.5389 5.5389 5.5645 5.5645 5.6890 5.6890 5.7358 5.7358 6.0172 6.0172 6.0321 6.0321 6.2272 6.2272 6.4991 6.4991 6.5411 6.5411 6.5875 6.5875 6.6444 6.6444 6.7595 6.7595 6.8384 6.8384 7.0413 7.0413 7.1984 7.1984 7.2367 7.2367 7.3784 7.3784 7.6602 7.6602 8.8691 8.8691 8.9168 8.9168 10.4388 10.4388 10.5516 10.5516 13.4052 13.4052 13.4569 13.4569 17.2852 17.2852 17.8178 17.8178 k = 0.4487-0.0000-0.0000 ( 3736 PWs) bands (ev): -4.6237 -4.6237 -4.3213 -4.3213 4.0787 4.0787 4.2147 4.2147 5.0343 5.0343 5.1005 5.1005 5.1238 5.1238 5.1499 5.1499 5.5600 5.5600 5.5785 5.5785 5.6848 5.6848 5.7242 5.7242 6.0157 6.0157 6.0295 6.0295 6.2586 6.2586 6.5057 6.5057 6.5208 6.5208 6.5752 6.5752 6.6452 6.6452 6.7461 6.7461 6.8571 6.8571 7.0280 7.0280 7.1980 7.1980 7.2275 7.2275 7.4040 7.4040 7.6300 7.6300 8.8732 8.8732 8.9135 8.9135 10.4318 10.4318 10.5174 10.5174 13.3921 13.3921 13.4370 13.4370 17.3738 17.3738 17.7986 17.7986 k = 0.4615-0.0000-0.0000 ( 3734 PWs) bands (ev): -4.5853 -4.5853 -4.3579 -4.3579 4.0880 4.0880 4.1908 4.1908 5.0458 5.0458 5.0975 5.0975 5.1280 5.1280 5.1470 5.1470 5.5764 5.5764 5.5947 5.5947 5.6791 5.6791 5.7141 5.7141 6.0139 6.0139 6.0266 6.0266 6.2914 6.2914 6.4926 6.4926 6.5142 6.5142 6.5657 6.5657 6.6499 6.6499 6.7290 6.7290 6.8806 6.8806 7.0124 7.0124 7.1981 7.1981 7.2196 7.2196 7.4303 7.4303 7.6002 7.6002 8.8780 8.8780 8.9095 8.9095 10.4276 10.4276 10.4890 10.4890 13.3838 13.3838 13.4195 13.4195 17.4563 17.4563 17.7733 17.7733 k = 0.4744-0.0000-0.0000 ( 3738 PWs) bands (ev): -4.5469 -4.5469 -4.3950 -4.3950 4.0997 4.0997 4.1686 4.1686 5.0570 5.0570 5.0925 5.0925 5.1315 5.1315 5.1439 5.1439 5.5897 5.5897 5.6088 5.6088 5.6745 5.6745 5.7045 5.7045 6.0132 6.0132 6.0231 6.0231 6.3250 6.3250 6.4612 6.4612 6.5228 6.5228 6.5574 6.5574 6.6576 6.6576 6.7116 6.7116 6.9051 6.9051 6.9945 6.9945 7.1991 7.1991 7.2131 7.2131 7.4572 7.4572 7.5707 7.5707 8.8833 8.8833 8.9049 8.9049 10.4267 10.4267 10.4663 10.4663 13.3800 13.3800 13.4048 13.4048 17.5311 17.5311 17.7416 17.7416 k = 0.4872-0.0000-0.0000 ( 3738 PWs) bands (ev): -4.5086 -4.5086 -4.4326 -4.4326 4.1137 4.1137 4.1483 4.1483 5.0675 5.0675 5.0856 5.0856 5.1347 5.1347 5.1408 5.1408 5.6013 5.6013 5.6145 5.6145 5.6758 5.6758 5.6943 5.6943 6.0140 6.0140 6.0195 6.0195 6.3593 6.3593 6.4279 6.4279 6.5318 6.5318 6.5492 6.5492 6.6678 6.6678 6.6952 6.6952 6.9295 6.9295 6.9746 6.9746 7.2009 7.2009 7.2078 7.2078 7.4848 7.4848 7.5416 7.5416 8.8888 8.8888 8.8998 8.8998 10.4297 10.4297 10.4491 10.4491 13.3805 13.3805 13.3932 13.3932 17.5974 17.5974 17.7023 17.7023 k = 0.5000-0.0000-0.0000 ( 3752 PWs) bands (ev): -4.4705 -4.4705 -4.4705 -4.4705 4.1299 4.1299 4.1299 4.1299 5.0772 5.0772 5.0772 5.0772 5.1378 5.1378 5.1378 5.1378 5.6106 5.6106 5.6106 5.6106 5.6837 5.6837 5.6837 5.6837 6.0162 6.0162 6.0162 6.0162 6.3936 6.3936 6.3936 6.3936 6.5406 6.5406 6.5406 6.5406 6.6804 6.6804 6.6804 6.6804 6.9527 6.9527 6.9527 6.9527 7.2038 7.2038 7.2038 7.2038 7.5129 7.5129 7.5129 7.5129 8.8944 8.8944 8.8944 8.8944 10.4370 10.4370 10.4370 10.4370 13.3850 13.3850 13.3850 13.3850 17.6545 17.6545 17.6545 17.6545 k = 0.5000-0.0000-0.0000 ( 3752 PWs) bands (ev): -4.4705 -4.4705 -4.4705 -4.4705 4.1299 4.1299 4.1299 4.1299 5.0772 5.0772 5.0772 5.0772 5.1378 5.1378 5.1378 5.1378 5.6106 5.6106 5.6106 5.6106 5.6837 5.6837 5.6837 5.6837 6.0162 6.0162 6.0162 6.0162 6.3936 6.3936 6.3936 6.3936 6.5406 6.5406 6.5406 6.5406 6.6804 6.6804 6.6804 6.6804 6.9527 6.9527 6.9527 6.9527 7.2038 7.2038 7.2038 7.2038 7.5129 7.5129 7.5129 7.5129 8.8944 8.8944 8.8944 8.8944 10.4370 10.4370 10.4370 10.4370 13.3850 13.3850 13.3850 13.3850 17.6545 17.6545 17.6545 17.6545 k = 0.5000 0.0127-0.0000 ( 3740 PWs) bands (ev): -4.4696 -4.4696 -4.4695 -4.4695 4.1265 4.1265 4.1315 4.1315 5.0700 5.0700 5.0783 5.0783 5.1366 5.1366 5.1374 5.1374 5.6074 5.6074 5.6100 5.6100 5.6791 5.6791 5.6889 5.6889 6.0125 6.0125 6.0199 6.0199 6.3905 6.3905 6.3914 6.3914 6.5272 6.5272 6.5541 6.5541 6.6678 6.6678 6.6957 6.6957 6.9525 6.9525 6.9562 6.9562 7.1973 7.1973 7.2088 7.2088 7.5090 7.5090 7.5149 7.5149 8.9000 8.9000 8.9024 8.9024 10.4375 10.4375 10.4404 10.4404 13.3840 13.3840 13.3920 13.3920 17.6006 17.6006 17.6341 17.6341 k = 0.5000 0.0254-0.0000 ( 3742 PWs) bands (ev): -4.4669 -4.4669 -4.4668 -4.4668 4.1212 4.1212 4.1312 4.1312 5.0574 5.0574 5.0725 5.0725 5.1344 5.1344 5.1345 5.1345 5.5997 5.5997 5.6062 5.6062 5.6747 5.6747 5.6953 5.6953 6.0088 6.0088 6.0234 6.0234 6.3826 6.3826 6.3841 6.3841 6.5140 6.5140 6.5663 6.5663 6.6587 6.6587 6.7130 6.7130 6.9556 6.9556 6.9629 6.9629 7.1896 7.1896 7.2121 7.2121 7.5034 7.5034 7.5146 7.5146 8.9190 8.9190 8.9234 8.9234 10.4417 10.4417 10.4475 10.4475 13.3890 13.3890 13.4049 13.4049 17.4935 17.4935 17.5446 17.5446 k = 0.5000 0.0381-0.0000 ( 3748 PWs) bands (ev): -4.4623 -4.4623 -4.4622 -4.4622 4.1138 4.1138 4.1289 4.1289 5.0397 5.0397 5.0599 5.0599 5.1286 5.1286 5.1318 5.1318 5.5870 5.5870 5.5993 5.5993 5.6708 5.6708 5.7031 5.7031 6.0052 6.0052 6.0267 6.0267 6.3707 6.3707 6.3724 6.3724 6.5007 6.5007 6.5743 6.5743 6.6559 6.6559 6.7320 6.7320 6.9621 6.9621 6.9725 6.9725 7.1813 7.1813 7.2138 7.2138 7.4968 7.4968 7.5125 7.5125 8.9500 8.9500 8.9561 8.9561 10.4495 10.4495 10.4583 10.4583 13.4000 13.4000 13.4237 13.4237 17.3548 17.3548 17.4112 17.4112 k = 0.5000 0.0508-0.0000 ( 3748 PWs) bands (ev): -4.4560 -4.4560 -4.4559 -4.4559 4.1042 4.1042 4.1243 4.1243 5.0167 5.0167 5.0408 5.0408 5.1197 5.1197 5.1282 5.1282 5.5698 5.5698 5.5889 5.5889 5.6680 5.6680 5.7121 5.7121 6.0018 6.0018 6.0296 6.0296 6.3563 6.3563 6.3579 6.3579 6.4876 6.4876 6.5749 6.5749 6.6623 6.6623 6.7525 6.7525 6.9720 6.9720 6.9849 6.9849 7.1728 7.1728 7.2142 7.2142 7.4899 7.4899 7.5090 7.5090 8.9914 8.9914 8.9986 8.9986 10.4609 10.4609 10.4725 10.4725 13.4172 13.4172 13.4486 13.4486 17.1979 17.1979 17.2541 17.2541 k = 0.5000 0.0636-0.0000 ( 3748 PWs) bands (ev): -4.4479 -4.4479 -4.4477 -4.4477 4.0921 4.0921 4.1173 4.1173 4.9883 4.9883 5.0160 5.0160 5.1081 5.1081 5.1229 5.1229 5.5486 5.5486 5.5749 5.5749 5.6669 5.6669 5.7220 5.7220 5.9988 5.9988 6.0323 6.0323 6.3404 6.3404 6.3415 6.3415 6.4747 6.4747 6.5684 6.5684 6.6773 6.6773 6.7736 6.7736 6.9855 6.9855 6.9999 6.9999 7.1648 7.1648 7.2136 7.2136 7.4834 7.4834 7.5047 7.5047 9.0411 9.0411 9.0489 9.0489 10.4754 10.4754 10.4899 10.4899 13.4406 13.4406 13.4796 13.4796 17.0305 17.0305 17.0848 17.0848 k = 0.5000 0.0763-0.0000 ( 3736 PWs) bands (ev): -4.4381 -4.4381 -4.4378 -4.4378 4.0773 4.0773 4.1075 4.1075 4.9545 4.9545 4.9858 4.9858 5.0940 5.0940 5.1155 5.1155 5.5246 5.5246 5.5576 5.5576 5.6677 5.6677 5.7322 5.7322 5.9965 5.9965 6.0346 6.0346 6.3243 6.3243 6.3246 6.3246 6.4625 6.4625 6.5578 6.5578 6.6974 6.6974 6.7948 6.7948 7.0026 7.0026 7.0175 7.0175 7.1578 7.1578 7.2126 7.2126 7.4779 7.4779 7.5000 7.5000 9.0970 9.0970 9.1047 9.1047 10.4927 10.4927 10.5100 10.5100 13.4705 13.4705 13.5168 13.5168 16.8575 16.8575 16.9094 16.9094 k = 0.5000 0.0890-0.0000 ( 3744 PWs) bands (ev): -4.4265 -4.4265 -4.4263 -4.4263 4.0592 4.0592 4.0943 4.0943 4.9152 4.9152 4.9505 4.9505 5.0777 5.0777 5.1056 5.1056 5.4991 5.4991 5.5379 5.5379 5.6700 5.6700 5.7421 5.7421 5.9949 5.9949 6.0365 6.0365 6.3077 6.3077 6.3085 6.3085 6.4512 6.4512 6.5455 6.5455 6.7202 6.7202 6.8152 6.8152 7.0233 7.0233 7.0375 7.0375 7.1520 7.1520 7.2117 7.2117 7.4733 7.4733 7.4953 7.4953 9.1569 9.1569 9.1640 9.1640 10.5124 10.5124 10.5322 10.5322 13.5067 13.5067 13.5600 13.5600 16.6820 16.6820 16.7318 16.7318 k = 0.5000 0.1017-0.0000 ( 3752 PWs) bands (ev): -4.4133 -4.4133 -4.4130 -4.4130 4.0372 4.0372 4.0771 4.0771 4.8711 4.8711 4.9107 4.9107 5.0595 5.0595 5.0931 5.0931 5.4734 5.4734 5.5170 5.5170 5.6735 5.6735 5.7513 5.7513 5.9943 5.9943 6.0381 6.0381 6.2917 6.2917 6.2939 6.2939 6.4411 6.4411 6.5328 6.5328 6.7442 6.7442 6.8343 6.8343 7.0473 7.0473 7.0597 7.0597 7.1481 7.1481 7.2118 7.2118 7.4700 7.4700 7.4908 7.4908 9.2193 9.2193 9.2253 9.2253 10.5337 10.5337 10.5559 10.5559 13.5492 13.5492 13.6093 13.6093 16.5065 16.5065 16.5546 16.5546 k = 0.5000 0.1144-0.0000 ( 3752 PWs) bands (ev): -4.3984 -4.3984 -4.3981 -4.3981 4.0107 4.0107 4.0549 4.0549 4.8232 4.8232 4.8671 4.8671 5.0398 5.0398 5.0780 5.0780 5.4488 5.4488 5.4958 5.4958 5.6776 5.6776 5.7593 5.7593 5.9951 5.9951 6.0394 6.0394 6.2771 6.2771 6.2810 6.2810 6.4323 6.4323 6.5202 6.5202 6.7684 6.7684 6.8519 6.8519 7.0740 7.0740 7.0834 7.0834 7.1473 7.1473 7.2141 7.2141 7.4680 7.4680 7.4868 7.4868 9.2825 9.2825 9.2872 9.2872 10.5561 10.5561 10.5802 10.5802 13.5977 13.5977 13.6640 13.6640 16.3332 16.3332 16.3800 16.3800 k = 0.5000 0.1271-0.0000 ( 3752 PWs) bands (ev): -4.3820 -4.3820 -4.3817 -4.3817 3.9789 3.9789 4.0269 4.0269 4.7730 4.7730 4.8207 4.8207 5.0189 5.0189 5.0604 5.0604 5.4264 5.4264 5.4753 5.4753 5.6821 5.6821 5.7655 5.7655 5.9976 5.9976 6.0405 6.0405 6.2640 6.2640 6.2698 6.2698 6.4249 6.4249 6.5082 6.5082 6.7923 6.7923 6.8678 6.8678 7.1013 7.1013 7.1056 7.1056 7.1524 7.1524 7.2201 7.2201 7.4674 7.4674 7.4835 7.4835 9.3456 9.3456 9.3487 9.3487 10.5786 10.5786 10.6043 10.6043 13.6514 13.6514 13.7235 13.7235 16.1640 16.1640 16.2101 16.2101 k = 0.5000 0.1398-0.0000 ( 3748 PWs) bands (ev): -4.3642 -4.3642 -4.3638 -4.3638 3.9410 3.9410 3.9917 3.9917 4.7223 4.7223 4.7729 4.7729 4.9971 4.9971 5.0408 5.0408 5.4066 5.4066 5.4559 5.4559 5.6863 5.6863 5.7696 5.7696 6.0020 6.0020 6.0415 6.0415 6.2526 6.2526 6.2605 6.2605 6.4189 6.4189 6.4969 6.4969 6.8153 6.8153 6.8821 6.8821 7.1199 7.1199 7.1262 7.1262 7.1702 7.1702 7.2327 7.2327 7.4682 7.4682 7.4809 7.4809 9.4078 9.4078 9.4090 9.4090 10.6004 10.6004 10.6271 10.6271 13.7090 13.7090 13.7863 13.7863 16.0014 16.0014 16.0471 16.0471 k = 0.5000 0.1525-0.0000 ( 3752 PWs) bands (ev): -4.3449 -4.3449 -4.3444 -4.3444 3.8962 3.8962 3.9485 3.9485 4.6733 4.6733 4.7253 4.7253 4.9743 4.9743 5.0193 5.0193 5.3895 5.3895 5.4381 5.4381 5.6900 5.6900 5.7713 5.7713 6.0083 6.0083 6.0427 6.0427 6.2428 6.2428 6.2530 6.2530 6.4142 6.4142 6.4866 6.4866 6.8370 6.8370 6.8950 6.8950 7.1263 7.1263 7.1452 7.1452 7.2002 7.2002 7.2544 7.2544 7.4708 7.4708 7.4793 7.4793 9.4678 9.4678 9.4685 9.4685 10.6206 10.6206 10.6478 10.6478 13.7684 13.7684 13.8500 13.8500 15.8484 15.8484 15.8939 15.8939 k = 0.5000 0.1652-0.0000 ( 3756 PWs) bands (ev): -4.3242 -4.3242 -4.3238 -4.3238 3.8440 3.8440 3.8965 3.8965 4.6277 4.6277 4.6795 4.6795 4.9510 4.9510 4.9965 4.9965 5.3752 5.3752 5.4219 5.4219 5.6928 5.6928 5.7704 5.7704 6.0168 6.0168 6.0441 6.0441 6.2345 6.2345 6.2471 6.2471 6.4108 6.4108 6.4771 6.4771 6.8572 6.8572 6.9067 6.9067 7.1302 7.1302 7.1579 7.1579 7.2367 7.2367 7.2849 7.2849 7.4759 7.4759 7.4791 7.4791 9.5250 9.5250 9.5276 9.5276 10.6384 10.6384 10.6653 10.6653 13.8263 13.8263 13.9111 13.9111 15.7091 15.7091 15.7543 15.7543 k = 0.5000 0.1780-0.0000 ( 3756 PWs) bands (ev): -4.3023 -4.3023 -4.3019 -4.3019 3.7842 3.7842 3.8355 3.8355 4.5868 4.5868 4.6368 4.6368 4.9273 4.9273 4.9729 4.9729 5.3633 5.3633 5.4074 5.4074 5.6945 5.6945 5.7670 5.7670 6.0272 6.0272 6.0460 6.0460 6.2276 6.2276 6.2426 6.2426 6.4087 6.4087 6.4686 6.4686 6.8759 6.8759 6.9174 6.9174 7.1339 7.1339 7.1661 7.1661 7.2764 7.2764 7.3200 7.3200 7.4808 7.4808 7.4848 7.4848 9.5806 9.5806 9.5850 9.5850 10.6529 10.6529 10.6790 10.6790 13.8777 13.8777 13.9640 13.9640 15.5894 15.5894 15.6334 15.6334 k = 0.5000 0.1907-0.0000 ( 3760 PWs) bands (ev): -4.2793 -4.2793 -4.2789 -4.2789 3.7171 3.7171 3.7659 3.7659 4.5515 4.5515 4.5981 4.5981 4.9034 4.9034 4.9486 4.9486 5.3534 5.3534 5.3945 5.3945 5.6949 5.6949 5.7613 5.7613 6.0393 6.0393 6.0485 6.0485 6.2220 6.2220 6.2395 6.2395 6.4077 6.4077 6.4610 6.4610 6.8929 6.8929 6.9271 6.9271 7.1381 7.1381 7.1722 7.1722 7.3170 7.3170 7.3547 7.3547 7.4859 7.4859 7.5002 7.5002 9.6347 9.6347 9.6409 9.6409 10.6635 10.6635 10.6880 10.6880 13.9160 13.9160 14.0014 14.0014 15.4966 15.4966 15.5378 15.5378 k = 0.5000 0.2034-0.0000 ( 3760 PWs) bands (ev): -4.2553 -4.2553 -4.2548 -4.2548 3.6432 3.6432 3.6887 3.6887 4.5217 4.5217 4.5639 4.5639 4.8794 4.8794 4.9241 4.9241 5.3453 5.3453 5.3831 5.3831 5.6938 5.6938 5.7536 5.7536 6.0518 6.0518 6.0528 6.0528 6.2175 6.2175 6.2374 6.2374 6.4078 6.4078 6.4545 6.4545 6.9083 6.9083 6.9360 6.9360 7.1430 7.1430 7.1774 7.1774 7.3553 7.3553 7.3838 7.3838 7.4971 7.4971 7.5255 7.5255 9.6876 9.6876 9.6954 9.6954 10.6696 10.6696 10.6921 10.6921 13.9335 13.9335 14.0145 14.0145 15.4392 15.4392 15.4751 15.4751 k = 0.5000 0.2161-0.0000 ( 3758 PWs) bands (ev): -4.2303 -4.2303 -4.2298 -4.2298 3.5637 3.5637 3.6052 3.6052 4.4971 4.4971 4.5343 4.5343 4.8554 4.8554 4.8995 4.8995 5.3388 5.3388 5.3731 5.3731 5.6911 5.6911 5.7440 5.7440 6.0560 6.0560 6.0674 6.0674 6.2141 6.2141 6.2364 6.2364 6.4089 6.4089 6.4489 6.4489 6.9222 6.9222 6.9442 6.9442 7.1486 7.1486 7.1822 7.1822 7.3864 7.3864 7.4044 7.4044 7.5187 7.5187 7.5625 7.5625 9.7396 9.7396 9.7489 9.7489 10.6710 10.6710 10.6908 10.6908 13.9233 13.9233 13.9963 13.9963 15.4240 15.4240 15.4517 15.4517 k = 0.5000 0.2288-0.0000 ( 3754 PWs) bands (ev): -4.2046 -4.2046 -4.2040 -4.2040 3.4795 3.4795 3.5171 3.5171 4.4771 4.4771 4.5090 4.5090 4.8317 4.8317 4.8750 4.8750 5.3335 5.3335 5.3644 5.3644 5.6868 5.6868 5.7329 5.7329 6.0610 6.0610 6.0828 6.0828 6.2115 6.2115 6.2362 6.2362 6.4109 6.4109 6.4442 6.4442 6.9347 6.9347 6.9517 6.9517 7.1549 7.1549 7.1871 7.1871 7.4071 7.4071 7.4180 7.4180 7.5538 7.5538 7.6095 7.6095 9.7910 9.7910 9.8016 9.8016 10.6674 10.6674 10.6841 10.6841 13.8822 13.8822 13.9448 13.9448 15.4525 15.4525 15.4704 15.4704 k = 0.5000 0.2415-0.0000 ( 3748 PWs) bands (ev): -4.1782 -4.1782 -4.1776 -4.1776 3.3921 3.3921 3.4258 3.4258 4.4608 4.4608 4.4875 4.4875 4.8081 4.8081 4.8508 4.8508 5.3294 5.3294 5.3569 5.3569 5.6810 5.6810 5.7206 5.7206 6.0668 6.0668 6.0986 6.0986 6.2097 6.2097 6.2369 6.2369 6.4136 6.4136 6.4404 6.4404 6.9457 6.9457 6.9585 6.9585 7.1619 7.1619 7.1921 7.1921 7.4189 7.4189 7.4271 7.4271 7.6003 7.6003 7.6631 7.6631 9.8421 9.8421 9.8538 9.8538 10.6588 10.6588 10.6720 10.6720 13.8121 13.8121 13.8638 13.8638 15.5204 15.5204 15.5284 15.5284 k = 0.5000 0.2542-0.0000 ( 3736 PWs) bands (ev): -4.1513 -4.1513 -4.1507 -4.1507 3.3026 3.3026 3.3326 3.3326 4.4478 4.4478 4.4695 4.4695 4.7850 4.7850 4.8269 4.8269 5.3262 5.3262 5.3505 5.3505 5.6738 5.6738 5.7072 5.7072 6.0733 6.0733 6.1147 6.1147 6.2086 6.2086 6.2382 6.2382 6.4170 6.4170 6.4376 6.4376 6.9555 6.9555 6.9648 6.9648 7.1695 7.1695 7.1972 7.1972 7.4257 7.4257 7.4337 7.4337 7.6542 7.6542 7.7212 7.7212 9.8932 9.8932 9.9058 9.9058 10.6453 10.6453 10.6547 10.6547 13.7184 13.7184 13.7601 13.7601 15.6197 15.6197 15.6198 15.6198 k = 0.5000 0.2669-0.0000 ( 3740 PWs) bands (ev): -4.1240 -4.1240 -4.1235 -4.1235 3.2121 3.2121 3.2388 3.2388 4.4374 4.4374 4.4544 4.4544 4.7623 4.7623 4.8034 4.8034 5.3239 5.3239 5.3450 5.3450 5.6651 5.6651 5.6930 5.6930 6.0803 6.0803 6.1305 6.1305 6.2081 6.2081 6.2402 6.2402 6.4209 6.4209 6.4355 6.4355 6.9640 6.9640 6.9704 6.9704 7.1774 7.1774 7.2024 7.2024 7.4300 7.4300 7.4390 7.4390 7.7126 7.7126 7.7821 7.7821 9.9446 9.9446 9.9578 9.9578 10.6272 10.6272 10.6325 10.6325 13.6074 13.6074 13.6405 13.6405 15.7368 15.7368 15.7431 15.7431 k = 0.5000 0.2796-0.0000 ( 3738 PWs) bands (ev): -4.0966 -4.0966 -4.0961 -4.0961 3.1218 3.1218 3.1454 3.1454 4.4292 4.4292 4.4419 4.4419 4.7401 4.7401 4.7805 4.7805 5.3223 5.3223 5.3405 5.3405 5.6554 5.6554 5.6782 5.6782 6.0877 6.0877 6.1458 6.1458 6.2083 6.2083 6.2429 6.2429 6.4252 6.4252 6.4343 6.4343 6.9715 6.9715 6.9755 6.9755 7.1855 7.1855 7.2077 7.2077 7.4331 7.4331 7.4435 7.4435 7.7741 7.7741 7.8450 7.8450 9.9963 9.9963 10.0099 10.0099 10.6050 10.6050 10.6060 10.6060 13.4847 13.4847 13.5108 13.5108 15.8732 15.8732 15.8835 15.8835 k = 0.5000 0.2924-0.0000 ( 3738 PWs) bands (ev): -4.0692 -4.0692 -4.0687 -4.0687 3.0324 3.0324 3.0533 3.0533 4.4229 4.4229 4.4317 4.4317 4.7184 4.7184 4.7581 4.7581 5.3214 5.3214 5.3368 5.3368 5.6447 5.6447 5.6629 5.6629 6.0952 6.0952 6.1601 6.1601 6.2095 6.2095 6.2460 6.2460 6.4298 6.4298 6.4339 6.4339 6.9780 6.9780 6.9800 6.9800 7.1938 7.1938 7.2131 7.2131 7.4357 7.4357 7.4476 7.4476 7.8376 7.8376 7.9092 7.9092 10.0485 10.0485 10.0620 10.0620 10.5758 10.5758 10.5794 10.5794 13.3544 13.3544 13.3746 13.3746 16.0235 16.0235 16.0360 16.0360 k = 0.5000 0.3051-0.0000 ( 3742 PWs) bands (ev): -4.0420 -4.0420 -4.0415 -4.0415 2.9449 2.9449 2.9634 2.9634 4.4182 4.4182 4.4234 4.4234 4.6974 4.6974 4.7363 4.7363 5.3212 5.3212 5.3340 5.3340 5.6332 5.6332 5.6474 5.6474 6.1028 6.1028 6.1727 6.1727 6.2120 6.2120 6.2497 6.2497 6.4343 6.4343 6.4347 6.4347 6.9835 6.9835 6.9841 6.9841 7.2020 7.2020 7.2184 7.2184 7.4382 7.4382 7.4515 7.4515 7.9025 7.9025 7.9744 7.9744 10.1009 10.1009 10.1138 10.1138 10.5430 10.5430 10.5514 10.5514 13.2195 13.2195 13.2349 13.2349 16.1835 16.1835 16.1963 16.1963 k = 0.5000 0.3178-0.0000 ( 3738 PWs) bands (ev): -4.0152 -4.0152 -4.0147 -4.0147 2.8599 2.8599 2.8763 2.8763 4.4149 4.4149 4.4168 4.4168 4.6770 4.6770 4.7152 4.7152 5.3216 5.3216 5.3320 5.3320 5.6212 5.6212 5.6318 5.6318 6.1104 6.1104 6.1825 6.1825 6.2167 6.2167 6.2538 6.2538 6.4355 6.4355 6.4397 6.4397 6.9877 6.9877 6.9883 6.9883 7.2100 7.2100 7.2236 7.2236 7.4407 7.4407 7.4553 7.4553 7.9683 7.9683 8.0400 8.0400 10.1526 10.1526 10.1642 10.1642 10.5091 10.5091 10.5230 10.5230 13.0822 13.0822 13.0935 13.0935 16.3494 16.3494 16.3610 16.3610 k = 0.5000 0.3305-0.0000 ( 3738 PWs) bands (ev): -3.9890 -3.9890 -3.9885 -3.9885 2.7781 2.7781 2.7926 2.7926 4.4117 4.4117 4.4128 4.4128 4.6574 4.6574 4.6947 4.6947 5.3226 5.3226 5.3308 5.3308 5.6087 5.6087 5.6162 5.6162 6.1178 6.1178 6.1890 6.1890 6.2239 6.2239 6.2582 6.2582 6.4373 6.4373 6.4448 6.4448 6.9909 6.9909 6.9924 6.9924 7.2177 7.2177 7.2286 7.2286 7.4434 7.4434 7.4589 7.4589 8.0347 8.0347 8.1057 8.1057 10.2013 10.2013 10.2104 10.2104 10.4773 10.4773 10.4975 10.4975 12.9439 12.9439 12.9518 12.9518 16.5182 16.5182 16.5271 16.5271 k = 0.5000 0.3432-0.0000 ( 3734 PWs) bands (ev): -3.9636 -3.9636 -3.9631 -3.9631 2.7002 2.7002 2.7129 2.7129 4.4080 4.4080 4.4118 4.4118 4.6386 4.6386 4.6750 4.6750 5.3241 5.3241 5.3303 5.3303 5.5960 5.5960 5.6008 5.6008 6.1248 6.1248 6.1927 6.1927 6.2330 6.2330 6.2629 6.2629 6.4398 6.4398 6.4498 6.4498 6.9938 6.9938 6.9959 6.9959 7.2249 7.2249 7.2333 7.2333 7.4464 7.4464 7.4625 7.4625 8.1011 8.1011 8.1709 8.1709 10.2406 10.2406 10.2460 10.2460 10.4548 10.4548 10.4822 10.4822 12.8059 12.8059 12.8107 12.8107 16.6868 16.6868 16.6916 16.6916 k = 0.5000 0.3559-0.0000 ( 3728 PWs) bands (ev): -3.9391 -3.9391 -3.9387 -3.9387 2.6266 2.6266 2.6377 2.6377 4.4056 4.4056 4.4118 4.4118 4.6206 4.6206 4.6561 4.6561 5.3261 5.3261 5.3305 5.3305 5.5832 5.5832 5.5857 5.5857 6.1316 6.1316 6.1946 6.1946 6.2428 6.2428 6.2676 6.2676 6.4429 6.4429 6.4548 6.4548 6.9963 6.9963 6.9989 6.9989 7.2315 7.2315 7.2379 7.2379 7.4495 7.4495 7.4660 7.4660 8.1671 8.1671 8.2353 8.2353 10.2575 10.2575 10.2608 10.2608 10.4556 10.4556 10.4880 10.4880 12.6689 12.6689 12.6710 12.6710 16.8520 16.8520 16.8527 16.8527 k = 0.5000 0.3686-0.0000 ( 3724 PWs) bands (ev): -3.9159 -3.9159 -3.9155 -3.9155 2.5577 2.5577 2.5674 2.5674 4.4042 4.4042 4.4126 4.4126 4.6034 4.6034 4.6379 4.6379 5.3286 5.3286 5.3313 5.3313 5.5704 5.5704 5.5709 5.5709 6.1380 6.1380 6.1955 6.1955 6.2523 6.2523 6.2724 6.2724 6.4465 6.4465 6.4595 6.4595 6.9985 6.9985 7.0013 7.0013 7.2376 7.2376 7.2421 7.2421 7.4529 7.4529 7.4693 7.4693 8.2323 8.2323 8.2983 8.2983 10.2448 10.2448 10.2505 10.2505 10.4875 10.4875 10.5202 10.5202 12.5331 12.5331 12.5336 12.5336 17.0061 17.0061 17.0133 17.0133 k = 0.5000 0.3813-0.0000 ( 3724 PWs) bands (ev): -3.8942 -3.8942 -3.8938 -3.8938 2.4941 2.4941 2.5025 2.5025 4.4040 4.4040 4.4142 4.4142 4.5872 4.5872 4.6206 4.6206 5.3314 5.3314 5.3327 5.3327 5.5568 5.5568 5.5579 5.5579 6.1440 6.1440 6.1958 6.1958 6.2612 6.2612 6.2770 6.2770 6.4504 6.4504 6.4640 6.4640 7.0004 7.0004 7.0034 7.0034 7.2429 7.2429 7.2459 7.2459 7.4565 7.4565 7.4724 7.4724 8.2961 8.2961 8.3593 8.3593 10.2135 10.2135 10.2229 10.2229 10.5408 10.5408 10.5717 10.5717 12.3975 12.3975 12.4003 12.4003 17.1521 17.1521 17.1666 17.1666 k = 0.5000 0.3940-0.0000 ( 3720 PWs) bands (ev): -3.8740 -3.8740 -3.8737 -3.8737 2.4361 2.4361 2.4434 2.4434 4.4047 4.4047 4.4164 4.4164 4.5721 4.5721 4.6041 4.6041 5.3346 5.3346 5.3347 5.3347 5.5433 5.5433 5.5457 5.5457 6.1497 6.1497 6.1956 6.1956 6.2692 6.2692 6.2815 6.2815 6.4545 6.4545 6.4681 6.4681 7.0021 7.0021 7.0050 7.0050 7.2476 7.2476 7.2493 7.2493 7.4602 7.4602 7.4753 7.4753 8.3578 8.3578 8.4176 8.4176 10.1746 10.1746 10.1871 10.1871 10.6053 10.6053 10.6344 10.6344 12.2647 12.2647 12.2696 12.2696 17.2891 17.2891 17.3111 17.3111 k = 0.5000 0.4068-0.0000 ( 3724 PWs) bands (ev): -3.8557 -3.8557 -3.8554 -3.8554 2.3842 2.3842 2.3903 2.3903 4.4062 4.4062 4.4192 4.4192 4.5580 4.5580 4.5885 4.5885 5.3371 5.3371 5.3381 5.3381 5.5307 5.5307 5.5340 5.5340 6.1549 6.1549 6.1951 6.1951 6.2763 6.2763 6.2856 6.2856 6.4588 6.4588 6.4718 6.4718 7.0036 7.0036 7.0064 7.0064 7.2516 7.2516 7.2524 7.2524 7.4638 7.4638 7.4779 7.4779 8.4168 8.4168 8.4723 8.4723 10.1335 10.1335 10.1480 10.1480 10.6767 10.6767 10.7042 10.7042 12.1348 12.1348 12.1418 12.1418 17.4166 17.4166 17.4459 17.4459 k = 0.5000 0.4195-0.0000 ( 3724 PWs) bands (ev): -3.8394 -3.8394 -3.8391 -3.8391 2.3385 2.3385 2.3436 2.3436 4.4085 4.4085 4.4223 4.4223 4.5453 4.5453 4.5739 4.5739 5.3398 5.3398 5.3416 5.3416 5.5192 5.5192 5.5230 5.5230 6.1599 6.1599 6.1942 6.1942 6.2823 6.2823 6.2893 6.2893 6.4630 6.4630 6.4749 6.4749 7.0049 7.0049 7.0075 7.0075 7.2549 7.2549 7.2551 7.2551 7.4675 7.4675 7.4801 7.4801 8.4722 8.4722 8.5226 8.5226 10.0931 10.0931 10.1086 10.1086 10.7531 10.7531 10.7793 10.7793 12.0082 12.0082 12.0171 12.0171 17.5349 17.5349 17.5706 17.5706 k = 0.5000 0.4322-0.0000 ( 3728 PWs) bands (ev): -3.8253 -3.8253 -3.8251 -3.8251 2.2994 2.2994 2.3036 2.3036 4.4115 4.4115 4.4256 4.4256 4.5341 4.5341 4.5603 4.5603 5.3428 5.3428 5.3450 5.3450 5.5088 5.5088 5.5129 5.5129 6.1644 6.1644 6.1930 6.1930 6.2874 6.2874 6.2926 6.2926 6.4670 6.4670 6.4775 6.4775 7.0060 7.0060 7.0083 7.0083 7.2573 7.2573 7.2576 7.2576 7.4710 7.4710 7.4818 7.4818 8.5230 8.5230 8.5674 8.5674 10.0556 10.0556 10.0709 10.0709 10.8338 10.8338 10.8588 10.8588 11.8852 11.8852 11.8959 11.8959 17.6440 17.6440 17.6849 17.6849 k = 0.5000 0.4449-0.0000 ( 3732 PWs) bands (ev): -3.8135 -3.8135 -3.8133 -3.8133 2.2671 2.2671 2.2704 2.2704 4.4151 4.4151 4.4286 4.4286 4.5247 4.5247 4.5479 4.5479 5.3459 5.3459 5.3482 5.3482 5.5000 5.5000 5.5039 5.5039 6.1686 6.1686 6.1915 6.1915 6.2915 6.2915 6.2952 6.2952 6.4707 6.4707 6.4795 6.4795 7.0070 7.0070 7.0089 7.0089 7.2593 7.2593 7.2597 7.2597 7.4742 7.4742 7.4831 7.4831 8.5681 8.5681 8.6054 8.6054 10.0225 10.0225 10.0366 10.0366 10.9183 10.9183 10.9419 10.9419 11.7663 11.7663 11.7786 11.7786 17.7440 17.7440 17.7879 17.7879 k = 0.5000 0.4576-0.0000 ( 3744 PWs) bands (ev): -3.8042 -3.8042 -3.8041 -3.8041 2.2419 2.2419 2.2443 2.2443 4.4191 4.4191 4.4310 4.4310 4.5176 4.5176 4.5368 4.5368 5.3488 5.3488 5.3510 5.3510 5.4929 5.4929 5.4963 5.4963 6.1725 6.1725 6.1896 6.1896 6.2947 6.2947 6.2972 6.2972 6.4740 6.4740 6.4807 6.4807 7.0077 7.0077 7.0092 7.0092 7.2607 7.2607 7.2612 7.2612 7.4770 7.4770 7.4839 7.4839 8.6062 8.6062 8.6354 8.6354 9.9954 9.9954 10.0072 10.0072 11.0058 11.0058 11.0280 11.0280 11.6520 11.6520 11.6657 11.6657 17.8335 17.8335 17.8771 17.8771 k = 0.5000 0.4703-0.0000 ( 3760 PWs) bands (ev): -3.7975 -3.7975 -3.7974 -3.7974 2.2238 2.2238 2.2255 2.2255 4.4231 4.4231 4.4322 4.4322 4.5133 4.5133 4.5273 4.5273 5.3512 5.3512 5.3530 5.3530 5.4877 5.4877 5.4903 5.4903 6.1761 6.1761 6.1875 6.1875 6.2970 6.2970 6.2986 6.2986 6.4767 6.4767 6.4813 6.4813 7.0083 7.0083 7.0093 7.0093 7.2618 7.2618 7.2622 7.2622 7.4794 7.4794 7.4841 7.4841 8.6362 8.6362 8.6563 8.6563 9.9756 9.9756 9.9841 9.9841 11.0951 11.0951 11.1153 11.1153 11.5441 11.5441 11.5587 11.5587 17.9097 17.9097 17.9474 17.9474 k = 0.5000 0.4830-0.0000 ( 3760 PWs) bands (ev): -3.7934 -3.7934 -3.7933 -3.7933 2.2132 2.2132 2.2140 2.2140 4.4269 4.4269 4.4319 4.4319 4.5123 4.5123 4.5197 4.5197 5.3531 5.3531 5.3541 5.3541 5.4849 5.4849 5.4863 5.4863 6.1794 6.1794 6.1851 6.1851 6.2986 6.2986 6.2993 6.2993 6.4789 6.4789 6.4812 6.4812 7.0088 7.0088 7.0093 7.0093 7.2625 7.2625 7.2628 7.2628 7.4814 7.4814 7.4837 7.4837 8.6568 8.6568 8.6671 8.6671 9.9643 9.9643 9.9687 9.9687 11.1811 11.1811 11.1971 11.1971 11.4494 11.4494 11.4626 11.4626 17.9669 17.9669 17.9899 17.9899 k = 0.5000 0.4957-0.0000 ( 3768 PWs) bands (ev): -3.7920 -3.7920 -3.7920 -3.7920 2.2099 2.2099 2.2099 2.2099 4.4300 4.4300 4.4300 4.4300 4.5145 4.5145 4.5145 4.5145 5.3541 5.3541 5.3541 5.3541 5.4844 5.4844 5.4844 5.4844 6.1824 6.1824 6.1824 6.1824 6.2993 6.2993 6.2993 6.2993 6.4804 6.4804 6.4804 6.4804 7.0091 7.0091 7.0091 7.0091 7.2628 7.2628 7.2628 7.2628 7.4828 7.4828 7.4828 7.4828 8.6673 8.6673 8.6673 8.6673 9.9619 9.9619 9.9619 9.9619 11.2358 11.2358 11.2358 11.2358 11.4054 11.4054 11.4054 11.4054 17.9964 17.9964 17.9964 17.9964 k = 0.5000 0.4957-0.0000 ( 3768 PWs) bands (ev): -3.7920 -3.7920 -3.7920 -3.7920 2.2099 2.2099 2.2099 2.2099 4.4300 4.4300 4.4300 4.4300 4.5145 4.5145 4.5145 4.5145 5.3541 5.3541 5.3541 5.3541 5.4844 5.4844 5.4844 5.4844 6.1824 6.1824 6.1824 6.1824 6.2993 6.2993 6.2993 6.2993 6.4804 6.4804 6.4804 6.4804 7.0091 7.0091 7.0091 7.0091 7.2628 7.2628 7.2628 7.2628 7.4828 7.4828 7.4828 7.4828 8.6673 8.6673 8.6673 8.6673 9.9619 9.9619 9.9619 9.9619 11.2358 11.2358 11.2358 11.2358 11.4054 11.4054 11.4054 11.4054 17.9964 17.9964 17.9964 17.9964 k = 0.4872 0.4957-0.0000 ( 3756 PWs) bands (ev): -3.7925 -3.7925 -3.7924 -3.7924 2.2099 2.2099 2.2113 2.2113 4.4215 4.4215 4.4372 4.4372 4.5088 4.5088 4.5223 4.5223 5.3463 5.3463 5.3613 5.3613 5.4765 5.4765 5.4942 5.4942 6.1804 6.1804 6.1834 6.1834 6.2897 6.2897 6.3084 6.3084 6.4722 6.4722 6.4875 6.4875 7.0072 7.0072 7.0119 7.0119 7.2625 7.2625 7.2629 7.2629 7.4777 7.4777 7.4900 7.4900 8.6641 8.6641 8.6701 8.6701 9.9552 9.9552 9.9594 9.9594 11.2029 11.2029 11.2087 11.2087 11.4432 11.4432 11.4487 11.4487 17.9835 17.9835 17.9838 17.9838 k = 0.4744 0.4957-0.0000 ( 3752 PWs) bands (ev): -3.7940 -3.7940 -3.7938 -3.7938 2.2115 2.2115 2.2144 2.2144 4.4122 4.4122 4.4419 4.4419 4.5061 4.5061 4.5314 4.5314 5.3384 5.3384 5.3674 5.3674 5.4710 5.4710 5.5053 5.5053 6.1774 6.1774 6.1831 6.1831 6.2798 6.2798 6.3166 6.3166 6.4631 6.4631 6.4933 6.4933 7.0062 7.0062 7.0154 7.0154 7.2615 7.2615 7.2625 7.2625 7.4746 7.4746 7.4991 7.4991 8.6605 8.6605 8.6723 8.6723 9.9393 9.9393 9.9474 9.9474 11.1488 11.1488 11.1564 11.1564 11.5274 11.5274 11.5342 11.5342 17.9454 17.9454 17.9464 17.9464 k = 0.4615 0.4957-0.0000 ( 3752 PWs) bands (ev): -3.7964 -3.7964 -3.7961 -3.7961 2.2146 2.2146 2.2188 2.2188 4.4027 4.4027 4.4433 4.4433 4.5072 4.5072 4.5412 4.5412 5.3306 5.3306 5.3716 5.3716 5.4686 5.4686 5.5176 5.5176 6.1736 6.1736 6.1812 6.1812 6.2700 6.2700 6.3237 6.3237 6.4532 6.4532 6.4978 6.4978 7.0061 7.0061 7.0195 7.0195 7.2601 7.2601 7.2619 7.2619 7.4735 7.4735 7.5096 7.5096 8.6565 8.6565 8.6741 8.6741 9.9143 9.9143 9.9261 9.9261 11.0989 11.0989 11.1075 11.1075 11.6292 11.6292 11.6362 11.6362 17.8836 17.8836 17.8865 17.8865 k = 0.4487 0.4957-0.0000 ( 3750 PWs) bands (ev): -3.7997 -3.7997 -3.7994 -3.7994 2.2192 2.2192 2.2248 2.2248 4.3933 4.3933 4.4416 4.4416 4.5121 4.5121 4.5517 4.5517 5.3231 5.3231 5.3735 5.3735 5.4697 5.4697 5.5307 5.5307 6.1691 6.1691 6.1774 6.1774 6.2608 6.2608 6.3293 6.3293 6.4429 6.4429 6.5009 6.5009 7.0069 7.0069 7.0241 7.0241 7.2583 7.2583 7.2610 7.2610 7.4745 7.4745 7.5215 7.5215 8.6523 8.6523 8.6755 8.6755 9.8807 9.8807 9.8957 9.8957 11.0591 11.0591 11.0688 11.0688 11.7414 11.7414 11.7485 11.7485 17.8007 17.8007 17.8063 17.8063 k = 0.4359 0.4957-0.0000 ( 3742 PWs) bands (ev): -3.8040 -3.8040 -3.8035 -3.8035 2.2251 2.2251 2.2321 2.2321 4.3843 4.3843 4.4379 4.4379 4.5197 4.5197 4.5625 4.5625 5.3161 5.3161 5.3730 5.3730 5.4743 5.4743 5.5444 5.5444 6.1640 6.1640 6.1715 6.1715 6.2528 6.2528 6.3333 6.3333 6.4327 6.4327 6.5027 6.5027 7.0086 7.0086 7.0292 7.0292 7.2560 7.2560 7.2600 7.2600 7.4775 7.4775 7.5345 7.5345 8.6479 8.6479 8.6765 8.6765 9.8391 9.8391 9.8567 9.8567 11.0311 11.0311 11.0423 11.0423 11.8616 11.8616 11.8684 11.8684 17.6996 17.6996 17.7087 17.7087 k = 0.4231 0.4957-0.0000 ( 3746 PWs) bands (ev): -3.8090 -3.8090 -3.8086 -3.8086 2.2323 2.2323 2.2406 2.2406 4.3757 4.3757 4.4332 4.4332 4.5288 4.5288 4.5735 4.5735 5.3096 5.3096 5.3706 5.3706 5.4819 5.4819 5.5585 5.5585 6.1584 6.1584 6.1633 6.1633 6.2460 6.2460 6.3353 6.3353 6.4228 6.4228 6.5032 6.5032 7.0111 7.0111 7.0346 7.0346 7.2534 7.2534 7.2589 7.2589 7.4821 7.4821 7.5484 7.5484 8.6436 8.6436 8.6771 8.6771 9.7905 9.7905 9.8102 9.8102 11.0151 11.0151 11.0281 11.0281 11.9883 11.9883 11.9948 11.9948 17.5831 17.5831 17.5962 17.5962 k = 0.4103 0.4957-0.0000 ( 3746 PWs) bands (ev): -3.8149 -3.8149 -3.8144 -3.8144 2.2408 2.2408 2.2504 2.2504 4.3677 4.3677 4.4283 4.4283 4.5388 4.5388 4.5847 4.5847 5.3037 5.3037 5.3670 5.3670 5.4918 5.4918 5.5729 5.5729 6.1523 6.1523 6.1529 6.1529 6.2407 6.2407 6.3348 6.3348 6.4140 6.4140 6.5025 6.5025 7.0143 7.0143 7.0402 7.0402 7.2506 7.2506 7.2577 7.2577 7.4884 7.4884 7.5628 7.5628 8.6395 8.6395 8.6775 8.6775 9.7361 9.7361 9.7573 9.7573 11.0105 11.0105 11.0256 11.0256 12.1207 12.1207 12.1268 12.1268 17.4539 17.4539 17.4711 17.4711 k = 0.3974 0.4957-0.0000 ( 3742 PWs) bands (ev): -3.8216 -3.8216 -3.8210 -3.8210 2.2503 2.2503 2.2611 2.2611 4.3606 4.3606 4.4238 4.4238 4.5493 4.5493 4.5960 4.5960 5.2984 5.2984 5.3628 5.3628 5.5032 5.5032 5.5874 5.5874 6.1406 6.1406 6.1460 6.1460 6.2366 6.2366 6.3317 6.3317 6.4067 6.4067 6.5008 6.5008 7.0182 7.0182 7.0460 7.0460 7.2478 7.2478 7.2567 7.2567 7.4959 7.4959 7.5775 7.5775 8.6358 8.6358 8.6778 8.6778 9.6775 9.6775 9.6996 9.6996 11.0164 11.0164 11.0339 11.0339 12.2582 12.2582 12.2638 12.2638 17.3142 17.3142 17.3357 17.3357 k = 0.3846 0.4957-0.0000 ( 3742 PWs) bands (ev): -3.8290 -3.8290 -3.8283 -3.8283 2.2608 2.2608 2.2728 2.2728 4.3543 4.3543 4.4199 4.4199 4.5600 4.5600 4.6072 4.6072 5.2938 5.2938 5.3583 5.3583 5.5155 5.5155 5.6017 5.6017 6.1270 6.1270 6.1393 6.1393 6.2335 6.2335 6.3259 6.3259 6.4011 6.4011 6.4980 6.4980 7.0227 7.0227 7.0518 7.0518 7.2449 7.2449 7.2556 7.2556 7.5045 7.5045 7.5921 7.5921 8.6326 8.6326 8.6781 8.6781 9.6160 9.6160 9.6385 9.6385 11.0316 11.0316 11.0518 11.0518 12.4002 12.4002 12.4053 12.4053 17.1661 17.1661 17.1918 17.1918 k = 0.3718 0.4957-0.0000 ( 3742 PWs) bands (ev): -3.8370 -3.8370 -3.8363 -3.8363 2.2721 2.2721 2.2852 2.2852 4.3491 4.3491 4.4167 4.4167 4.5708 4.5708 4.6185 4.6185 5.2899 5.2899 5.3538 5.3538 5.5284 5.5284 5.6157 5.6157 6.1125 6.1125 6.1326 6.1326 6.2312 6.2312 6.3180 6.3180 6.3970 6.3970 6.4944 6.4944 7.0276 7.0276 7.0575 7.0575 7.2420 7.2420 7.2547 7.2547 7.5138 7.5138 7.6064 7.6064 8.6302 8.6302 8.6783 8.6783 9.5529 9.5529 9.5753 9.5753 11.0551 11.0551 11.0782 11.0782 12.5464 12.5464 12.5509 12.5509 17.0112 17.0112 17.0409 17.0409 k = 0.3590 0.4957-0.0000 ( 3734 PWs) bands (ev): -3.8457 -3.8457 -3.8449 -3.8449 2.2841 2.2841 2.2983 2.2983 4.3450 4.3450 4.4146 4.4146 4.5816 4.5816 4.6297 4.6297 5.2866 5.2866 5.3495 5.3495 5.5416 5.5416 5.6291 5.6291 6.0975 6.0975 6.1260 6.1260 6.2296 6.2296 6.3087 6.3087 6.3939 6.3939 6.4901 6.4901 7.0328 7.0328 7.0633 7.0633 7.2393 7.2393 7.2539 7.2539 7.5235 7.5235 7.6200 7.6200 8.6286 8.6286 8.6787 8.6787 9.4895 9.4895 9.5114 9.5114 11.0859 11.0859 11.1119 11.1119 12.6964 12.6964 12.7003 12.7003 16.8510 16.8510 16.8847 16.8847 k = 0.3462 0.4957-0.0000 ( 3734 PWs) bands (ev): -3.8548 -3.8548 -3.8540 -3.8540 2.2965 2.2965 2.3118 2.3118 4.3422 4.3422 4.4135 4.4135 4.5921 4.5921 4.6408 4.6408 5.2839 5.2839 5.3455 5.3455 5.5547 5.5547 5.6418 5.6418 6.0825 6.0825 6.1196 6.1196 6.2284 6.2284 6.2985 6.2985 6.3913 6.3913 6.4851 6.4851 7.0383 7.0383 7.0688 7.0688 7.2368 7.2368 7.2531 7.2531 7.5332 7.5332 7.6326 7.6326 8.6281 8.6281 8.6790 8.6790 9.4270 9.4270 9.4478 9.4478 11.1228 11.1228 11.1520 11.1520 12.8498 12.8498 12.8530 12.8530 16.6869 16.6869 16.7244 16.7244 k = 0.3333 0.4957-0.0000 ( 3742 PWs) bands (ev): -3.8645 -3.8645 -3.8636 -3.8636 2.3093 2.3093 2.3255 2.3255 4.3406 4.3406 4.4136 4.4136 4.6025 4.6025 4.6517 4.6517 5.2818 5.2818 5.3418 5.3418 5.5675 5.5675 5.6534 5.6534 6.0675 6.0675 6.1136 6.1136 6.2277 6.2277 6.2880 6.2880 6.3889 6.3889 6.4797 6.4797 7.0439 7.0439 7.0742 7.0742 7.2345 7.2345 7.2525 7.2525 7.5428 7.5428 7.6439 7.6439 8.6285 8.6285 8.6792 8.6792 9.3666 9.3666 9.3856 9.3856 11.1652 11.1652 11.1975 11.1975 13.0064 13.0064 13.0088 13.0088 16.5200 16.5200 16.5613 16.5613 k = 0.3205 0.4957-0.0000 ( 3750 PWs) bands (ev): -3.8745 -3.8745 -3.8736 -3.8736 2.3223 2.3223 2.3393 2.3393 4.3404 4.3404 4.4149 4.4149 4.6127 4.6127 4.6625 4.6625 5.2804 5.2804 5.3384 5.3384 5.5797 5.5797 5.6636 5.6636 6.0531 6.0531 6.1081 6.1081 6.2274 6.2274 6.2778 6.2778 6.3866 6.3866 6.4740 6.4740 7.0496 7.0496 7.0793 7.0793 7.2324 7.2324 7.2520 7.2520 7.5519 7.5519 7.6536 7.6536 8.6299 8.6299 8.6789 8.6789 9.3093 9.3093 9.3259 9.3259 11.2121 11.2121 11.2477 11.2477 13.1657 13.1657 13.1673 13.1673 16.3516 16.3516 16.3964 16.3964 k = 0.3077 0.4957-0.0000 ( 3744 PWs) bands (ev): -3.8849 -3.8849 -3.8839 -3.8839 2.3354 2.3354 2.3531 2.3531 4.3417 4.3417 4.4176 4.4176 4.6226 4.6226 4.6731 4.6731 5.2796 5.2796 5.3355 5.3355 5.5911 5.5911 5.6723 5.6723 6.0395 6.0395 6.1036 6.1036 6.2276 6.2276 6.2681 6.2681 6.3843 6.3843 6.4681 6.4681 7.0553 7.0553 7.0843 7.0843 7.2306 7.2306 7.2516 7.2516 7.5602 7.5602 7.6615 7.6615 8.6320 8.6320 8.6778 8.6778 9.2564 9.2564 9.2697 9.2697 11.2628 11.2628 11.3017 11.3017 13.3274 13.3274 13.3282 13.3282 16.1826 16.1826 16.2310 16.2310 k = 0.2949 0.4957-0.0000 ( 3736 PWs) bands (ev): -3.8955 -3.8955 -3.8945 -3.8945 2.3484 2.3484 2.3667 2.3667 4.3443 4.3443 4.4215 4.4215 4.6322 4.6322 4.6834 4.6834 5.2793 5.2793 5.3329 5.3329 5.6016 5.6016 5.6793 5.6793 6.0269 6.0269 6.1000 6.1000 6.2283 6.2283 6.2592 6.2592 6.3818 6.3818 6.4620 6.4620 7.0609 7.0609 7.0890 7.0890 7.2292 7.2292 7.2514 7.2514 7.5675 7.5675 7.6673 7.6673 8.6342 8.6342 8.6751 8.6751 9.2093 9.2093 9.2181 9.2181 11.3166 11.3166 11.3589 11.3589 13.4911 13.4911 13.4911 13.4911 16.0143 16.0143 16.0661 16.0661 k = 0.2821 0.4957-0.0000 ( 3746 PWs) bands (ev): -3.9062 -3.9062 -3.9053 -3.9053 2.3612 2.3612 2.3799 2.3799 4.3485 4.3485 4.4267 4.4267 4.6414 4.6414 4.6934 4.6934 5.2795 5.2795 5.3305 5.3305 5.6107 5.6107 5.6842 5.6842 6.0156 6.0156 6.0975 6.0975 6.2293 6.2293 6.2511 6.2511 6.3793 6.3793 6.4559 6.4559 7.0663 7.0663 7.0934 7.0934 7.2279 7.2279 7.2512 7.2512 7.5734 7.5734 7.6708 7.6708 8.6356 8.6356 8.6698 8.6698 9.1694 9.1694 9.1724 9.1724 11.3727 11.3727 11.4186 11.4186 13.6553 13.6553 13.6562 13.6562 15.8477 15.8477 15.9029 15.9029 k = 0.2692 0.4957-0.0000 ( 3738 PWs) bands (ev): -3.9171 -3.9171 -3.9162 -3.9162 2.3737 2.3737 2.3927 2.3927 4.3541 4.3541 4.4333 4.4333 4.6503 4.6503 4.7032 4.7032 5.2802 5.2802 5.3285 5.3285 5.6185 5.6185 5.6871 5.6871 6.0057 6.0057 6.0962 6.0962 6.2308 6.2308 6.2441 6.2441 6.3768 6.3768 6.4499 6.4499 7.0716 7.0716 7.0976 7.0976 7.2269 7.2269 7.2513 7.2513 7.5779 7.5779 7.6719 7.6719 8.6352 8.6352 8.6610 8.6610 9.1344 9.1344 9.1382 9.1382 11.4306 11.4306 11.4800 11.4800 13.8203 13.8203 13.8220 13.8220 15.6843 15.6843 15.7427 15.7427 k = 0.2564 0.4957-0.0000 ( 3740 PWs) bands (ev): -3.9280 -3.9280 -3.9271 -3.9271 2.3857 2.3857 2.4049 2.4049 4.3611 4.3611 4.4410 4.4410 4.6588 4.6588 4.7125 4.7125 5.2813 5.2813 5.3267 5.3267 5.6247 5.6247 5.6880 5.6880 5.9975 5.9975 6.0958 6.0958 6.2329 6.2329 6.2384 6.2384 6.3742 6.3742 6.4441 6.4441 7.0766 7.0766 7.1014 7.1014 7.2263 7.2263 7.2514 7.2514 7.5807 7.5807 7.6706 7.6706 8.6314 8.6314 8.6478 8.6478 9.1055 9.1055 9.1169 9.1169 11.4893 11.4893 11.5424 11.5424 13.9848 13.9848 13.9872 13.9872 15.5257 15.5257 15.5872 15.5872 k = 0.2436 0.4957-0.0000 ( 3732 PWs) bands (ev): -3.9389 -3.9389 -3.9380 -3.9380 2.3972 2.3972 2.4164 2.4164 4.3695 4.3695 4.4499 4.4499 4.6670 4.6670 4.7215 4.7215 5.2828 5.2828 5.3251 5.3251 5.6294 5.6294 5.6868 5.6868 5.9911 5.9911 6.0964 6.0964 6.2341 6.2341 6.2354 6.2354 6.3718 6.3718 6.4386 6.4386 7.0815 7.0815 7.1050 7.1050 7.2260 7.2260 7.2517 7.2517 7.5817 7.5817 7.6669 7.6669 8.6232 8.6232 8.6297 8.6297 9.0873 9.0873 9.1062 9.1062 11.5482 11.5482 11.6050 11.6050 14.1472 14.1472 14.1498 14.1498 15.3745 15.3745 15.4386 15.4386 k = 0.2308 0.4957-0.0000 ( 3738 PWs) bands (ev): -3.9497 -3.9497 -3.9487 -3.9487 2.4080 2.4080 2.4272 2.4272 4.3792 4.3792 4.4597 4.4597 4.6747 4.6747 4.7300 4.7300 5.2846 5.2846 5.3236 5.3236 5.6323 5.6323 5.6838 5.6838 5.9863 5.9863 6.0973 6.0973 6.2313 6.2313 6.2383 6.2383 6.3696 6.3696 6.4333 6.4333 7.0860 7.0860 7.1082 7.1082 7.2259 7.2259 7.2520 7.2520 7.5809 7.5809 7.6609 7.6609 8.6072 8.6072 8.6096 8.6096 9.0805 9.0805 9.1059 9.1059 11.6065 11.6065 11.6670 11.6670 14.3038 14.3038 14.3058 14.3058 15.2351 15.2351 15.3008 15.3008 k = 0.2179 0.4957-0.0000 ( 3742 PWs) bands (ev): -3.9603 -3.9603 -3.9593 -3.9593 2.4183 2.4183 2.4372 2.4372 4.3900 4.3900 4.4705 4.4705 4.6819 4.6819 4.7380 4.7380 5.2866 5.2866 5.3222 5.3222 5.6338 5.6338 5.6793 5.6793 5.9832 5.9832 6.0983 6.0983 6.2303 6.2303 6.2417 6.2417 6.3675 6.3675 6.4285 6.4285 7.0903 7.0903 7.1112 7.1112 7.2261 7.2261 7.2525 7.2525 7.5783 7.5783 7.6528 7.6528 8.5811 8.5811 8.5908 8.5908 9.0850 9.0850 9.1151 9.1151 11.6632 11.6632 11.7273 11.7273 14.4455 14.4455 14.4471 14.4471 15.1174 15.1174 15.1817 15.1817 k = 0.2051 0.4957-0.0000 ( 3746 PWs) bands (ev): -3.9706 -3.9706 -3.9697 -3.9697 2.4278 2.4278 2.4463 2.4463 4.4019 4.4019 4.4821 4.4821 4.6888 4.6888 4.7456 4.7456 5.2888 5.2888 5.3208 5.3208 5.6339 5.6339 5.6736 5.6736 5.9817 5.9817 6.0990 6.0990 6.2310 6.2310 6.2455 6.2455 6.3658 6.3658 6.4241 6.4241 7.0943 7.0943 7.1140 7.1140 7.2266 7.2266 7.2531 7.2531 7.5738 7.5738 7.6426 7.6426 8.5526 8.5526 8.5677 8.5677 9.0997 9.0997 9.1326 9.1326 11.7173 11.7173 11.7851 11.7851 14.5442 14.5442 14.5582 14.5582 15.0465 15.0465 15.1003 15.1003 k = 0.1923 0.4957-0.0000 ( 3750 PWs) bands (ev): -3.9807 -3.9807 -3.9798 -3.9798 2.4367 2.4367 2.4547 2.4547 4.4147 4.4147 4.4943 4.4943 4.6953 4.6953 4.7526 4.7526 5.2911 5.2911 5.3194 5.3194 5.6329 5.6329 5.6669 5.6669 5.9814 5.9814 6.0991 6.0991 6.2336 6.2336 6.2498 6.2498 6.3645 6.3645 6.4201 6.4201 7.0981 7.0981 7.1165 7.1165 7.2274 7.2274 7.2538 7.2538 7.5677 7.5677 7.6307 7.6307 8.5230 8.5230 8.5417 8.5417 9.1231 9.1231 9.1571 9.1571 11.7680 11.7680 11.8391 11.8391 14.5621 14.5621 14.6012 14.6012 15.0617 15.0617 15.0922 15.0922 k = 0.1795 0.4957-0.0000 ( 3742 PWs) bands (ev): -3.9903 -3.9903 -3.9895 -3.9895 2.4448 2.4448 2.4621 2.4621 4.4283 4.4283 4.5069 4.5069 4.7014 4.7014 4.7590 4.7590 5.2935 5.2935 5.3180 5.3180 5.6310 5.6310 5.6596 5.6596 5.9823 5.9823 6.0984 6.0984 6.2378 6.2378 6.2544 6.2544 6.3635 6.3635 6.4167 6.4167 7.1016 7.1016 7.1187 7.1187 7.2287 7.2287 7.2547 7.2547 7.5600 7.5600 7.6173 7.6173 8.4931 8.4931 8.5141 8.5141 9.1536 9.1536 9.1875 9.1875 11.8141 11.8141 11.8881 11.8881 14.5067 14.5067 14.5664 14.5664 15.1553 15.1553 15.1665 15.1665 k = 0.1667 0.4957-0.0000 ( 3744 PWs) bands (ev): -3.9996 -3.9996 -3.9988 -3.9988 2.4522 2.4522 2.4688 2.4688 4.4424 4.4424 4.5197 4.5197 4.7071 4.7071 4.7648 4.7648 5.2958 5.2958 5.3166 5.3166 5.6286 5.6286 5.6520 5.6520 5.9840 5.9840 6.0968 6.0968 6.2435 6.2435 6.2593 6.2593 6.3631 6.3631 6.4137 6.4137 7.1049 7.1049 7.1207 7.1207 7.2302 7.2302 7.2557 7.2557 7.5510 7.5510 7.6028 7.6028 8.4639 8.4639 8.4859 8.4859 9.1896 9.1896 9.2226 9.2226 11.8545 11.8545 11.9310 11.9310 14.4232 14.4232 14.4931 14.4931 15.2809 15.2809 15.2827 15.2827 k = 0.1538 0.4957-0.0000 ( 3740 PWs) bands (ev): -4.0084 -4.0084 -4.0076 -4.0076 2.4589 2.4589 2.4746 2.4746 4.4569 4.4569 4.5325 4.5325 4.7125 4.7125 4.7699 4.7699 5.2979 5.2979 5.3150 5.3150 5.6258 5.6258 5.6445 5.6445 5.9863 5.9863 6.0943 6.0943 6.2502 6.2502 6.2644 6.2644 6.3631 6.3631 6.4112 6.4112 7.1079 7.1079 7.1224 7.1224 7.2321 7.2321 7.2568 7.2568 7.5409 7.5409 7.5873 7.5873 8.4359 8.4359 8.4580 8.4580 9.2299 9.2299 9.2613 9.2613 11.8885 11.8885 11.9665 11.9665 14.3362 14.3362 14.4110 14.4110 15.4090 15.4090 15.4118 15.4118 k = 0.1410 0.4957-0.0000 ( 3748 PWs) bands (ev): -4.0166 -4.0166 -4.0159 -4.0159 2.4649 2.4649 2.4796 2.4796 4.4717 4.4717 4.5449 4.5449 4.7175 4.7175 4.7743 4.7743 5.2999 5.2999 5.3134 5.3134 5.6228 5.6228 5.6371 5.6371 5.9891 5.9891 6.0909 6.0909 6.2576 6.2576 6.2696 6.2696 6.3635 6.3635 6.4091 6.4091 7.1106 7.1106 7.1239 7.1239 7.2342 7.2342 7.2580 7.2580 7.5299 7.5299 7.5712 7.5712 8.4095 8.4095 8.4311 8.4311 9.2733 9.2733 9.3028 9.3028 11.9150 11.9150 11.9935 11.9935 14.2555 14.2555 14.3321 14.3321 15.5304 15.5304 15.5355 15.5355 k = 0.1282 0.4957-0.0000 ( 3744 PWs) bands (ev): -4.0243 -4.0243 -4.0237 -4.0237 2.4702 2.4702 2.4839 2.4839 4.4864 4.4864 4.5569 4.5569 4.7224 4.7224 4.7780 4.7780 5.3015 5.3015 5.3118 5.3118 5.6199 5.6199 5.6302 5.6302 5.9922 5.9922 6.0870 6.0870 6.2654 6.2654 6.2749 6.2749 6.3646 6.3646 6.4074 6.4074 7.1131 7.1131 7.1253 7.1253 7.2368 7.2368 7.2593 7.2593 7.5183 7.5183 7.5548 7.5548 8.3849 8.3849 8.4056 8.4056 9.3187 9.3187 9.3461 9.3461 11.9337 11.9337 12.0114 12.0114 14.1851 14.1851 14.2615 14.2615 15.6385 15.6385 15.6444 15.6444 k = 0.1154 0.4957-0.0000 ( 3740 PWs) bands (ev): -4.0314 -4.0314 -4.0308 -4.0308 2.4750 2.4750 2.4876 2.4876 4.5011 4.5011 4.5681 4.5681 4.7270 4.7270 4.7809 4.7809 5.3029 5.3029 5.3101 5.3101 5.6171 5.6171 5.6239 5.6239 5.9956 5.9956 6.0825 6.0825 6.2731 6.2731 6.2801 6.2801 6.3661 6.3661 6.4060 6.4060 7.1154 7.1154 7.1264 7.1264 7.2396 7.2396 7.2608 7.2608 7.5066 7.5066 7.5385 7.5385 8.3625 8.3625 8.3818 8.3818 9.3650 9.3650 9.3902 9.3902 11.9445 11.9445 12.0197 12.0197 14.1270 14.1270 14.2012 14.2012 15.7276 15.7276 15.7334 15.7334 k = 0.1026 0.4957-0.0000 ( 3736 PWs) bands (ev): -4.0379 -4.0379 -4.0373 -4.0373 2.4793 2.4793 2.4906 2.4906 4.5153 4.5153 4.5781 4.5781 4.7317 4.7317 4.7830 4.7830 5.3039 5.3039 5.3085 5.3085 5.6144 5.6144 5.6184 5.6184 5.9992 5.9992 6.0775 6.0775 6.2804 6.2804 6.2852 6.2852 6.3682 6.3682 6.4048 6.4048 7.1175 7.1175 7.1273 7.1273 7.2428 7.2428 7.2623 7.2623 7.4948 7.4948 7.5225 7.5225 8.3424 8.3424 8.3600 8.3600 9.4114 9.4114 9.4342 9.4342 11.9477 11.9477 12.0190 12.0190 14.0816 14.0816 14.1518 14.1518 15.7951 15.7951 15.8000 15.8000 k = 0.0897 0.4957-0.0000 ( 3732 PWs) bands (ev): -4.0436 -4.0436 -4.0432 -4.0432 2.4830 2.4830 2.4930 2.4930 4.5291 4.5291 4.5868 4.5868 4.7363 4.7363 4.7842 4.7842 5.3045 5.3045 5.3070 5.3070 5.6120 5.6120 5.6137 5.6137 6.0029 6.0029 6.0723 6.0723 6.2872 6.2872 6.2900 6.2900 6.3707 6.3707 6.4038 6.4038 7.1194 7.1194 7.1280 7.1280 7.2462 7.2462 7.2638 7.2638 7.4835 7.4835 7.5071 7.5071 8.3246 8.3246 8.3404 8.3404 9.4565 9.4565 9.4769 9.4769 11.9444 11.9444 12.0102 12.0102 14.0484 14.0484 14.1129 14.1129 15.8415 15.8415 15.8450 15.8450 k = 0.0769 0.4957-0.0000 ( 3720 PWs) bands (ev): -4.0487 -4.0487 -4.0483 -4.0483 2.4862 2.4862 2.4949 2.4949 4.5422 4.5422 4.5940 4.5940 4.7411 4.7411 4.7847 4.7847 5.3048 5.3048 5.3056 5.3056 5.6099 5.6099 5.6099 5.6099 6.0067 6.0067 6.0669 6.0669 6.2932 6.2932 6.2944 6.2944 6.3736 6.3736 6.4029 6.4029 7.1211 7.1211 7.1285 7.1285 7.2498 7.2498 7.2654 7.2654 7.4728 7.4728 7.4926 7.4926 8.3092 8.3092 8.3230 8.3230 9.4995 9.4995 9.5173 9.5173 11.9362 11.9362 11.9950 11.9950 14.0261 14.0261 14.0837 14.0837 15.8698 15.8698 15.8720 15.8720 k = 0.0641 0.4957-0.0000 ( 3722 PWs) bands (ev): -4.0530 -4.0530 -4.0526 -4.0526 2.4889 2.4889 2.4962 2.4962 4.5544 4.5544 4.5994 4.5994 4.7460 4.7460 4.7842 4.7842 5.3044 5.3044 5.3047 5.3047 5.6068 5.6068 5.6080 5.6080 6.0108 6.0108 6.0613 6.0613 6.2982 6.2982 6.2984 6.2984 6.3768 6.3768 6.4019 6.4019 7.1227 7.1227 7.1289 7.1289 7.2535 7.2535 7.2668 7.2668 7.4632 7.4632 7.4794 7.4794 8.2964 8.2964 8.3080 8.3080 9.5389 9.5389 9.5541 9.5541 11.9248 11.9248 11.9755 11.9755 14.0131 14.0131 14.0624 14.0624 15.8844 15.8844 15.8856 15.8856 k = 0.0513 0.4957-0.0000 ( 3726 PWs) bands (ev): -4.0565 -4.0565 -4.0563 -4.0563 2.4913 2.4913 2.4972 2.4972 4.5656 4.5656 4.6028 4.6028 4.7510 4.7510 4.7829 4.7829 5.3034 5.3034 5.3044 5.3044 5.6046 5.6046 5.6063 5.6063 6.0150 6.0150 6.0557 6.0557 6.3018 6.3018 6.3022 6.3022 6.3802 6.3802 6.4007 6.4007 7.1240 7.1240 7.1289 7.1289 7.2571 7.2571 7.2680 7.2680 7.4549 7.4549 7.4677 7.4677 8.2860 8.2860 8.2954 8.2954 9.5736 9.5736 9.5861 9.5861 11.9126 11.9126 11.9542 11.9542 14.0071 14.0071 14.0475 14.0475 15.8898 15.8898 15.8903 15.8903 k = 0.0385 0.4957-0.0000 ( 3726 PWs) bands (ev): -4.0593 -4.0593 -4.0591 -4.0591 2.4932 2.4932 2.4977 2.4977 4.5756 4.5756 4.6044 4.6044 4.7560 4.7560 4.7809 4.7809 5.3028 5.3028 5.3039 5.3039 5.6032 5.6032 5.6049 5.6049 6.0194 6.0194 6.0500 6.0500 6.3046 6.3046 6.3053 6.3053 6.3836 6.3836 6.3992 6.3992 7.1251 7.1251 7.1289 7.1289 7.2605 7.2605 7.2688 7.2688 7.4484 7.4484 7.4578 7.4578 8.2782 8.2782 8.2853 8.2853 9.6026 9.6026 9.6121 9.6121 11.9015 11.9015 11.9333 11.9333 14.0062 14.0062 14.0369 14.0369 15.8901 15.8901 15.8902 15.8902 k = 0.0256 0.4957-0.0000 ( 3718 PWs) bands (ev): -4.0613 -4.0613 -4.0612 -4.0612 2.4948 2.4948 2.4978 2.4978 4.5844 4.5844 4.6039 4.6039 4.7610 4.7610 4.7780 4.7780 5.3025 5.3025 5.3034 5.3034 5.6024 5.6024 5.6038 5.6038 6.0240 6.0240 6.0445 6.0445 6.3067 6.3067 6.3074 6.3074 6.3870 6.3870 6.3975 6.3975 7.1262 7.1262 7.1287 7.1287 7.2635 7.2635 7.2691 7.2691 7.4439 7.4439 7.4501 7.4501 8.2729 8.2729 8.2777 8.2777 9.6246 9.6246 9.6311 9.6311 11.8936 11.8936 11.9151 11.9151 14.0086 14.0086 14.0292 14.0292 15.8881 15.8881 15.8881 15.8881 k = 0.0128 0.4957-0.0000 ( 3722 PWs) bands (ev): -4.0625 -4.0625 -4.0624 -4.0624 2.4961 2.4961 2.4976 2.4976 4.5917 4.5917 4.6016 4.6016 4.7659 4.7659 4.7745 4.7745 5.3024 5.3024 5.3029 5.3029 5.6021 5.6021 5.6028 5.6028 6.0288 6.0288 6.0391 6.0391 6.3081 6.3081 6.3085 6.3085 6.3901 6.3901 6.3954 6.3954 7.1271 7.1271 7.1283 7.1283 7.2660 7.2660 7.2688 7.2688 7.4417 7.4417 7.4447 7.4447 8.2703 8.2703 8.2726 8.2726 9.6389 9.6389 9.6421 9.6421 11.8904 11.8904 11.9013 11.9013 14.0127 14.0127 14.0231 14.0231 15.8860 15.8860 15.8861 15.8861 k = 0.0000 0.4957-0.0000 ( 3728 PWs) bands (ev): -4.0628 -4.0628 -4.0628 -4.0628 2.4970 2.4970 2.4970 2.4970 4.5975 4.5975 4.5975 4.5975 4.7704 4.7704 4.7704 4.7704 5.3025 5.3025 5.3025 5.3025 5.6023 5.6023 5.6023 5.6023 6.0339 6.0339 6.0339 6.0339 6.3087 6.3087 6.3087 6.3087 6.3929 6.3929 6.3929 6.3929 7.1277 7.1277 7.1277 7.1277 7.2678 7.2678 7.2678 7.2678 7.4419 7.4419 7.4419 7.4419 8.2702 8.2702 8.2702 8.2702 9.6448 9.6448 9.6448 9.6448 11.8929 11.8929 11.8929 11.8929 14.0176 14.0176 14.0176 14.0176 15.8853 15.8853 15.8853 15.8853 k = 0.0000 0.4957-0.0000 ( 3728 PWs) bands (ev): -4.0628 -4.0628 -4.0628 -4.0628 2.4970 2.4970 2.4970 2.4970 4.5975 4.5975 4.5975 4.5975 4.7704 4.7704 4.7704 4.7704 5.3025 5.3025 5.3025 5.3025 5.6023 5.6023 5.6023 5.6023 6.0339 6.0339 6.0339 6.0339 6.3087 6.3087 6.3087 6.3087 6.3929 6.3929 6.3929 6.3929 7.1277 7.1277 7.1277 7.1277 7.2678 7.2678 7.2678 7.2678 7.4419 7.4419 7.4419 7.4419 8.2702 8.2702 8.2702 8.2702 9.6448 9.6448 9.6448 9.6448 11.8929 11.8929 11.8929 11.8929 14.0176 14.0176 14.0176 14.0176 15.8853 15.8853 15.8853 15.8853 k = 0.0000 0.4830-0.0000 ( 3726 PWs) bands (ev): -4.1095 -4.1095 -4.0179 -4.0179 2.4634 2.4634 2.5366 2.5366 4.5913 4.5913 4.6046 4.6046 4.7694 4.7694 4.7721 4.7721 5.2954 5.2954 5.3088 5.3088 5.5942 5.5942 5.6105 5.6105 6.0226 6.0226 6.0446 6.0446 6.2911 6.2911 6.3226 6.3226 6.3926 6.3926 6.3979 6.3979 7.1236 7.1236 7.1313 7.1313 7.2661 7.2661 7.2682 7.2682 7.4227 7.4227 7.4572 7.4572 8.2068 8.2068 8.3402 8.3402 9.5783 9.5783 9.7094 9.7094 11.8550 11.8550 11.9271 11.9271 13.9821 13.9821 14.0586 14.0586 15.8223 15.8223 15.9538 15.9538 k = 0.0000 0.4703-0.0000 ( 3730 PWs) bands (ev): -4.1575 -4.1575 -3.9747 -3.9747 2.4361 2.4361 2.5819 2.5819 4.5859 4.5859 4.6124 4.6124 4.7694 4.7694 4.7746 4.7746 5.2875 5.2875 5.3141 5.3141 5.5864 5.5864 5.6187 5.6187 6.0109 6.0109 6.0547 6.0547 6.2719 6.2719 6.3301 6.3301 6.3987 6.3987 6.4064 6.4064 7.1189 7.1189 7.1341 7.1341 7.2634 7.2634 7.2670 7.2670 7.4001 7.4001 7.4683 7.4683 8.1504 8.1504 8.4166 8.4166 9.5102 9.5102 9.7719 9.7719 11.8146 11.8146 11.9564 11.9564 13.9533 13.9533 14.1035 14.1035 15.7651 15.7651 16.0275 16.0275 k = 0.0000 0.4576-0.0000 ( 3722 PWs) bands (ev): -4.2067 -4.2067 -3.9335 -3.9335 2.4153 2.4153 2.6326 2.6326 4.5815 4.5815 4.6210 4.6210 4.7703 4.7703 4.7778 4.7778 5.2790 5.2790 5.3184 5.3184 5.5790 5.5790 5.6269 5.6269 5.9991 5.9991 6.0639 6.0639 6.2524 6.2524 6.3313 6.3313 6.4091 6.4091 6.4195 6.4195 7.1137 7.1137 7.1360 7.1360 7.2598 7.2598 7.2636 7.2636 7.3758 7.3758 7.4754 7.4754 8.1009 8.1009 8.4987 8.4987 9.4407 9.4407 9.8319 9.8319 11.7725 11.7725 11.9799 11.9799 13.9328 13.9328 14.1509 14.1509 15.7141 15.7141 16.1059 16.1059 k = 0.0000 0.4449-0.0000 ( 3726 PWs) bands (ev): -4.2569 -4.2569 -3.8945 -3.8945 2.4012 2.4012 2.6884 2.6884 4.5782 4.5782 4.6302 4.6302 4.7721 4.7721 4.7816 4.7816 5.2701 5.2701 5.3214 5.3214 5.5721 5.5721 5.6347 5.6347 5.9872 5.9872 6.0723 6.0723 6.2332 6.2332 6.3287 6.3287 6.4197 6.4197 6.4377 6.4377 7.1078 7.1078 7.1363 7.1363 7.2542 7.2542 7.2574 7.2574 7.3524 7.3524 7.4788 7.4788 8.0578 8.0578 8.5857 8.5857 9.3701 9.3701 9.8893 9.8893 11.7298 11.7298 11.9963 11.9963 13.9216 13.9216 14.1996 14.1996 15.6696 15.6696 16.1888 16.1888 k = 0.0000 0.4322-0.0000 ( 3724 PWs) bands (ev): -4.3080 -4.3080 -3.8577 -3.8577 2.3939 2.3939 2.7489 2.7489 4.5758 4.5758 4.6398 4.6398 4.7749 4.7749 4.7860 4.7860 5.2610 5.2610 5.3231 5.3231 5.5655 5.5655 5.6423 5.6423 5.9754 5.9754 6.0796 6.0796 6.2147 6.2147 6.3243 6.3243 6.4303 6.4303 6.4590 6.4590 7.1012 7.1012 7.1342 7.1342 7.2423 7.2423 7.2515 7.2515 7.3331 7.3331 7.4789 7.4789 8.0206 8.0206 8.6768 8.6768 9.2987 9.2987 9.9438 9.9438 11.6870 11.6870 12.0047 12.0047 13.9209 13.9209 14.2481 14.2481 15.6317 15.6317 16.2754 16.2754 k = 0.0000 0.4195-0.0000 ( 3724 PWs) bands (ev): -4.3596 -4.3596 -3.8235 -3.8235 2.3937 2.3937 2.8138 2.8138 4.5745 4.5745 4.6497 4.6497 4.7786 4.7786 4.7909 4.7909 5.2518 5.2518 5.3235 5.3235 5.5596 5.5596 5.6493 5.6493 5.9638 5.9638 6.0859 6.0859 6.1972 6.1972 6.3191 6.3191 6.4411 6.4411 6.4819 6.4819 7.0935 7.0935 7.1280 7.1280 7.2256 7.2256 7.2457 7.2457 7.3197 7.3197 7.4760 7.4760 7.9885 7.9885 8.7714 8.7714 9.2267 9.2267 9.9952 9.9952 11.6450 11.6450 12.0044 12.0044 13.9314 13.9314 14.2949 14.2949 15.6007 15.6007 16.3652 16.3652 k = 0.0000 0.4068-0.0000 ( 3724 PWs) bands (ev): -4.4116 -4.4116 -3.7917 -3.7917 2.4007 2.4007 2.8826 2.8826 4.5742 4.5742 4.6597 4.6597 4.7832 4.7832 4.7963 4.7963 5.2430 5.2430 5.3224 5.3224 5.5543 5.5543 5.6557 5.6557 5.9525 5.9525 6.0913 6.0913 6.1810 6.1810 6.3137 6.3137 6.4521 6.4521 6.5055 6.5055 7.0837 7.0837 7.1159 7.1159 7.2096 7.2096 7.2393 7.2393 7.3114 7.3114 7.4708 7.4708 7.9607 7.9607 8.8685 8.8685 9.1543 9.1543 10.0433 10.0433 11.6043 11.6043 11.9951 11.9951 13.9534 13.9534 14.3385 14.3385 15.5769 15.5769 16.4570 16.4570 k = 0.0000 0.3940-0.0000 ( 3726 PWs) bands (ev): -4.4638 -4.4638 -3.7626 -3.7626 2.4148 2.4148 2.9550 2.9550 4.5750 4.5750 4.6697 4.6697 4.7887 4.7887 4.8020 4.8020 5.2347 5.2347 5.3199 5.3199 5.5496 5.5496 5.6614 5.6614 5.9416 5.9416 6.0956 6.0956 6.1663 6.1663 6.3082 6.3082 6.4631 6.4631 6.5297 6.5297 7.0691 7.0691 7.0992 7.0992 7.1985 7.1985 7.2322 7.2322 7.3060 7.3060 7.4635 7.4635 7.9364 7.9364 8.9670 8.9670 9.0820 9.0820 10.0879 10.0879 11.5657 11.5657 11.9767 11.9767 13.9869 13.9869 14.3772 14.3772 15.5604 15.5604 16.5490 16.5490 k = 0.0000 0.3813-0.0000 ( 3734 PWs) bands (ev): -4.5159 -4.5159 -3.7361 -3.7361 2.4361 2.4361 3.0305 3.0305 4.5767 4.5767 4.6794 4.6794 4.7949 4.7949 4.8081 4.8081 5.2274 5.2274 5.3160 5.3160 5.5455 5.5455 5.6664 5.6664 5.9311 5.9311 6.0989 6.0989 6.1533 6.1533 6.3029 6.3029 6.4741 6.4741 6.5542 6.5542 7.0461 7.0461 7.0839 7.0839 7.1922 7.1922 7.2244 7.2244 7.3022 7.3022 7.4547 7.4547 7.9149 7.9149 9.0079 9.0079 9.0682 9.0682 10.1289 10.1289 11.5297 11.5297 11.9496 11.9496 14.0314 14.0314 14.4090 14.4090 15.5513 15.5513 16.6377 16.6377 k = 0.0000 0.3686-0.0000 ( 3731 PWs) bands (ev): -4.5679 -4.5679 -3.7122 -3.7122 2.4646 2.4646 3.1087 3.1087 4.5795 4.5795 4.6887 4.6887 4.8018 4.8018 4.8144 4.8144 5.2214 5.2214 5.3108 5.3108 5.5418 5.5418 5.6706 5.6706 5.9212 5.9212 6.1014 6.1014 6.1423 6.1423 6.2976 6.2976 6.4848 6.4848 6.5788 6.5788 7.0168 7.0168 7.0713 7.0713 7.1888 7.1888 7.2162 7.2162 7.2991 7.2991 7.4447 7.4447 7.8958 7.8958 8.9364 8.9364 9.1668 9.1668 10.1661 10.1661 11.4970 11.4970 11.9144 11.9144 14.0864 14.0864 14.4318 14.4318 15.5498 15.5498 16.5916 16.5916 k = 0.0000 0.3559-0.0000 ( 3727 PWs) bands (ev): -4.6195 -4.6195 -3.6911 -3.6911 2.5003 2.5003 3.1891 3.1891 4.5833 4.5833 4.6974 4.6974 4.8090 4.8090 4.8210 4.8210 5.2172 5.2172 5.3044 5.3044 5.5385 5.5385 5.6741 5.6741 5.9119 5.9119 6.1029 6.1029 6.1334 6.1334 6.2926 6.2926 6.4951 6.4951 6.6034 6.6034 6.9856 6.9856 7.0592 7.0592 7.1868 7.1868 7.2076 7.2076 7.2964 7.2964 7.4339 7.4339 7.8785 7.8785 8.8648 8.8648 9.2647 9.2647 10.1996 10.1996 11.4683 11.4683 11.8716 11.8716 14.1509 14.1509 14.4427 14.4427 15.5560 15.5560 16.3940 16.3940 k = 0.0000 0.3432-0.0000 ( 3723 PWs) bands (ev): -4.6706 -4.6706 -3.6726 -3.6726 2.5431 2.5431 3.2711 3.2711 4.5880 4.5880 4.7051 4.7051 4.8164 4.8164 4.8278 4.8278 5.2151 5.2151 5.2973 5.2973 5.5354 5.5354 5.6768 5.6768 5.9033 5.9033 6.1032 6.1032 6.1269 6.1269 6.2878 6.2878 6.5048 6.5048 6.6279 6.6279 6.9550 6.9550 7.0465 7.0465 7.1846 7.1846 7.1992 7.1992 7.2939 7.2939 7.4228 7.4228 7.8629 7.8629 8.7938 8.7938 9.3599 9.3599 10.2293 10.2293 11.4446 11.4446 11.8222 11.8222 14.2236 14.2236 14.4390 14.4390 15.5698 15.5698 16.2093 16.2093 k = 0.0000 0.3305-0.0000 ( 3733 PWs) bands (ev): -4.7210 -4.7210 -3.6566 -3.6566 2.5927 2.5927 3.3543 3.3543 4.5936 4.5936 4.7116 4.7116 4.8238 4.8238 4.8346 4.8346 5.2150 5.2150 5.2900 5.2900 5.5320 5.5320 5.6790 5.6790 5.8954 5.8954 6.1020 6.1020 6.1233 6.1233 6.2831 6.2831 6.5138 6.5138 6.6520 6.6520 6.9266 6.9266 7.0327 7.0327 7.1801 7.1801 7.1927 7.1927 7.2914 7.2914 7.4117 7.4117 7.8486 7.8486 8.7237 8.7237 9.4508 9.4508 10.2552 10.2552 11.4267 11.4267 11.7668 11.7668 14.3028 14.3028 14.4180 14.4180 15.5911 15.5911 16.0418 16.0418 k = 0.0000 0.3178-0.0000 ( 3729 PWs) bands (ev): -4.7706 -4.7706 -3.6431 -3.6431 2.6490 2.6490 3.4380 3.4380 4.6001 4.6001 4.7166 4.7166 4.8314 4.8314 4.8416 4.8416 5.2165 5.2165 5.2838 5.2838 5.5284 5.5284 5.6809 5.6809 5.8885 5.8885 6.0993 6.0993 6.1223 6.1223 6.2789 6.2789 6.5221 6.5221 6.6758 6.6758 6.9010 6.9010 7.0176 7.0176 7.1719 7.1719 7.1896 7.1896 7.2890 7.2890 7.4009 7.4009 7.8357 7.8357 8.6546 8.6546 9.5359 9.5359 10.2774 10.2774 11.4157 11.4157 11.7063 11.7063 14.3595 14.3595 14.4046 14.4046 15.6197 15.6197 15.8953 15.8953 k = 0.0000 0.3051-0.0000 ( 3741 PWs) bands (ev): -4.8191 -4.8191 -3.6320 -3.6320 2.7117 2.7117 3.5217 3.5217 4.6074 4.6074 4.7199 4.7199 4.8390 4.8390 4.8488 4.8488 5.2175 5.2175 5.2808 5.2808 5.5239 5.5239 5.6827 5.6827 5.8826 5.8826 6.0960 6.0960 6.1232 6.1232 6.2749 6.2749 6.5293 6.5293 6.6988 6.6988 6.8788 6.8788 7.0009 7.0009 7.1616 7.1616 7.1880 7.1880 7.2865 7.2865 7.3907 7.3907 7.8239 7.8239 8.5868 8.5868 9.6131 9.6131 10.2960 10.2960 11.4127 11.4127 11.6414 11.6414 14.3014 14.3014 14.4883 14.4883 15.6551 15.6551 15.7727 15.7727 k = 0.0000 0.2924-0.0000 ( 3733 PWs) bands (ev): -4.8666 -4.8666 -3.6231 -3.6231 2.7807 2.7807 3.6046 3.6046 4.6156 4.6156 4.7214 4.7214 4.8470 4.8470 4.8561 4.8561 5.2156 5.2156 5.2843 5.2843 5.5186 5.5186 5.6846 5.6846 5.8780 5.8780 6.0925 6.0925 6.1252 6.1252 6.2714 6.2714 6.5357 6.5357 6.7210 6.7210 6.8605 6.8605 6.9827 6.9827 7.1505 7.1505 7.1867 7.1867 7.2843 7.2843 7.3815 7.3815 7.8134 7.8134 8.5205 8.5205 9.6806 9.6806 10.3110 10.3110 11.4181 11.4181 11.5737 11.5737 14.2124 14.2124 14.5847 14.5847 15.6653 15.6653 15.7060 15.7060 k = 0.0000 0.2796-0.0000 ( 3735 PWs) bands (ev): -4.9128 -4.9128 -3.6163 -3.6163 2.8556 2.8556 3.6860 3.6860 4.6244 4.6244 4.7209 4.7209 4.8556 4.8556 4.8635 4.8635 5.2090 5.2090 5.2951 5.2951 5.5121 5.5121 5.6868 5.6868 5.8748 5.8748 6.0891 6.0891 6.1280 6.1280 6.2685 6.2685 6.5412 6.5412 6.7414 6.7414 6.8463 6.8463 6.9630 6.9630 7.1389 7.1389 7.1853 7.1853 7.2822 7.2822 7.3734 7.3734 7.8042 7.8042 8.4559 8.4559 9.7364 9.7364 10.3225 10.3225 11.4278 11.4278 11.5089 11.5089 14.1028 14.1028 14.6852 14.6852 15.5912 15.5912 15.7519 15.7519 k = 0.0000 0.2669-0.0000 ( 3743 PWs) bands (ev): -4.9577 -4.9577 -3.6114 -3.6114 2.9361 2.9361 3.7651 3.7651 4.6339 4.6339 4.7189 4.7189 4.8650 4.8650 4.8712 4.8712 5.1991 5.1991 5.3122 5.3122 5.5044 5.5044 5.6894 5.6894 5.8730 5.8730 6.0859 6.0859 6.1311 6.1311 6.2661 6.2661 6.5460 6.5460 6.7591 6.7591 6.8370 6.8370 6.9422 6.9422 7.1268 7.1268 7.1838 7.1838 7.2805 7.2805 7.3665 7.3665 7.7964 7.7964 8.3930 8.3930 9.7787 9.7787 10.3308 10.3308 11.4009 11.4009 11.4893 11.4893 13.9778 13.9778 14.7883 14.7883 15.5308 15.5308 15.8084 15.8084 k = 0.0000 0.2542-0.0000 ( 3743 PWs) bands (ev): -5.0011 -5.0011 -3.6082 -3.6082 3.0217 3.0217 3.8411 3.8411 4.6440 4.6440 4.7160 4.7160 4.8749 4.8749 4.8793 4.8793 5.1873 5.1873 5.3336 5.3336 5.4953 5.4953 5.6927 5.6927 5.8729 5.8729 6.0830 6.0830 6.1345 6.1345 6.2645 6.2645 6.5501 6.5501 6.7719 6.7719 6.8339 6.8339 6.9206 6.9206 7.1145 7.1145 7.1821 7.1821 7.2792 7.2792 7.3610 7.3610 7.7903 7.7903 8.3322 8.3322 9.8065 9.8065 10.3359 10.3359 11.3288 11.3288 11.5242 11.5242 13.8429 13.8429 14.8930 14.8930 15.4831 15.4831 15.8714 15.8714 k = 0.0000 0.2415-0.0000 ( 3739 PWs) bands (ev): -5.0429 -5.0429 -3.6066 -3.6066 3.1121 3.1121 3.9131 3.9131 4.6546 4.6546 4.7129 4.7129 4.8845 4.8845 4.8889 4.8889 5.1745 5.1745 5.3575 5.3575 5.4850 5.4850 5.6968 5.6968 5.8744 5.8744 6.0805 6.0805 6.1379 6.1379 6.2636 6.2636 6.5540 6.5540 6.7779 6.7779 6.8378 6.8378 6.8990 6.8990 7.1019 7.1019 7.1805 7.1805 7.2785 7.2785 7.3571 7.3571 7.7860 7.7860 8.2735 8.2735 9.8191 9.8191 10.3382 10.3382 11.2473 11.2473 11.5776 11.5776 13.7032 13.7032 14.9977 14.9977 15.4444 15.4444 15.9401 15.9401 k = 0.0000 0.2288-0.0000 ( 3741 PWs) bands (ev): -5.0831 -5.0831 -3.6064 -3.6064 3.2067 3.2067 3.9802 3.9802 4.6655 4.6655 4.7108 4.7108 4.8930 4.8930 4.9004 4.9004 5.1613 5.1613 5.3823 5.3823 5.4736 5.4736 5.7017 5.7017 5.8777 5.8777 6.0784 6.0784 6.1412 6.1412 6.2635 6.2635 6.5577 6.5577 6.7775 6.7775 6.8460 6.8460 6.8793 6.8793 7.0891 7.0891 7.1789 7.1789 7.2784 7.2784 7.3549 7.3549 7.7839 7.7839 8.2171 8.2171 9.8167 9.8167 10.3378 10.3378 11.1616 11.1616 11.6436 11.6436 13.5632 13.5632 15.1011 15.1011 15.4112 15.4112 16.0109 16.0109 k = 0.0000 0.2161-0.0000 ( 3749 PWs) bands (ev): -5.1216 -5.1216 -3.6073 -3.6073 3.3051 3.3051 4.0412 4.0412 4.6768 4.6768 4.7108 4.7108 4.9011 4.9011 4.9131 4.9131 5.1481 5.1481 5.4062 5.4062 5.4618 5.4618 5.7078 5.7078 5.8826 5.8826 6.0768 6.0768 6.1443 6.1443 6.2642 6.2642 6.5616 6.5616 6.7722 6.7722 6.8484 6.8484 6.8695 6.8695 7.0760 7.0760 7.1776 7.1776 7.2790 7.2790 7.3546 7.3546 7.7843 7.7843 8.1631 8.1631 9.7998 9.7998 10.3352 10.3352 11.0728 11.0728 11.7196 11.7196 13.4264 13.4264 15.2010 15.2010 15.3814 15.3814 15.9762 15.9762 k = 0.0000 0.2034-0.0000 ( 3751 PWs) bands (ev): -5.1582 -5.1582 -3.6093 -3.6093 3.4066 3.4066 4.0952 4.0952 4.6882 4.6882 4.7139 4.7139 4.9092 4.9092 4.9265 4.9265 5.1351 5.1351 5.4254 5.4254 5.4521 5.4521 5.7152 5.7152 5.8891 5.8891 6.0758 6.0758 6.1471 6.1471 6.2658 6.2658 6.5656 6.5656 6.7622 6.7622 6.8384 6.8384 6.8757 6.8757 7.0628 7.0628 7.1770 7.1770 7.2802 7.2802 7.3563 7.3563 7.7877 7.7877 8.1117 8.1117 9.7693 9.7693 10.3307 10.3307 10.9812 10.9812 11.8034 11.8034 13.2961 13.2961 15.2939 15.2939 15.3541 15.3541 15.9043 15.9043 k = 0.0000 0.1907-0.0000 ( 3755 PWs) bands (ev): -5.1930 -5.1930 -3.6120 -3.6120 3.5107 3.5107 4.1414 4.1414 4.6997 4.6997 4.7215 4.7215 4.9174 4.9174 4.9404 4.9404 5.1226 5.1226 5.4263 5.4263 5.4566 5.4566 5.7245 5.7245 5.8969 5.8969 6.0757 6.0757 6.1496 6.1496 6.2680 6.2680 6.5700 6.5700 6.7470 6.7470 6.8300 6.8300 6.8839 6.8839 7.0496 7.0496 7.1773 7.1773 7.2819 7.2819 7.3603 7.3603 7.7946 7.7946 8.0629 8.0629 9.7267 9.7267 10.3246 10.3246 10.8872 10.8872 11.8922 11.8922 13.1748 13.1748 15.3209 15.3209 15.3839 15.3839 15.8361 15.8361 k = 0.0000 0.1780-0.0000 ( 3749 PWs) bands (ev): -5.2258 -5.2258 -3.6155 -3.6155 3.6167 3.6167 4.1791 4.1791 4.7110 4.7110 4.7342 4.7342 4.9256 4.9256 4.9546 4.9546 5.1108 5.1108 5.4142 5.4142 5.4692 5.4692 5.7359 5.7359 5.9057 5.9057 6.0766 6.0766 6.1520 6.1520 6.2707 6.2707 6.5745 6.5745 6.7280 6.7280 6.8257 6.8257 6.8901 6.8901 7.0363 7.0363 7.1788 7.1788 7.2839 7.2839 7.3664 7.3664 7.8058 7.8058 8.0169 8.0169 9.6733 9.6733 10.3172 10.3172 10.7910 10.7910 11.9829 11.9829 13.0652 13.0652 15.2930 15.2930 15.4549 15.4549 15.7728 15.7728 k = 0.0000 0.1652-0.0000 ( 3757 PWs) bands (ev): -5.2566 -5.2566 -3.6194 -3.6194 3.7236 3.7236 4.2084 4.2084 4.7220 4.7220 4.7523 4.7523 4.9339 4.9339 4.9689 4.9689 5.0998 5.0998 5.3999 5.3999 5.4783 5.4783 5.7491 5.7491 5.9149 5.9149 6.0787 6.0787 6.1542 6.1542 6.2737 6.2737 6.5787 6.5787 6.7069 6.7069 6.8245 6.8245 6.8933 6.8933 7.0232 7.0232 7.1817 7.1817 7.2862 7.2862 7.3744 7.3744 7.8220 7.8220 7.9738 7.9738 9.6108 9.6108 10.3084 10.3084 10.6932 10.6932 12.0716 12.0716 12.9704 12.9704 15.2629 15.2629 15.5087 15.5087 15.7151 15.7151 k = 0.0000 0.1525-0.0000 ( 3761 PWs) bands (ev): -5.2853 -5.2853 -3.6237 -3.6237 3.8306 3.8306 4.2300 4.2300 4.7326 4.7326 4.7756 4.7756 4.9422 4.9422 4.9832 4.9832 5.0899 5.0899 5.3851 5.3851 5.4825 5.4825 5.7639 5.7639 5.9239 5.9239 6.0822 6.0822 6.1565 6.1565 6.2770 6.2770 6.5822 6.5822 6.6856 6.6856 6.8251 6.8251 6.8934 6.8934 7.0104 7.0104 7.1859 7.1859 7.2888 7.2888 7.3840 7.3840 7.8440 7.8440 7.9337 7.9337 9.5408 9.5408 10.2982 10.2982 10.5945 10.5945 12.1531 12.1531 12.8946 12.8946 15.2312 15.2312 15.5391 15.5391 15.6643 15.6643 k = 0.0000 0.1398-0.0000 ( 3759 PWs) bands (ev): -5.3119 -5.3119 -3.6282 -3.6282 3.9365 3.9365 4.2452 4.2452 4.7426 4.7426 4.8030 4.8030 4.9506 4.9506 4.9973 4.9973 5.0811 5.0811 5.3702 5.3702 5.4817 5.4817 5.7794 5.7794 5.9322 5.9322 6.0872 6.0872 6.1589 6.1589 6.2805 6.2805 6.5841 6.5841 6.6659 6.6659 6.8267 6.8267 6.8906 6.8906 6.9980 6.9980 7.1912 7.1912 7.2919 7.2919 7.3943 7.3943 7.8704 7.8704 7.8987 7.8987 9.4651 9.4651 10.2855 10.2855 10.4965 10.4965 12.2199 12.2199 12.8439 12.8439 15.1983 15.1983 15.5425 15.5425 15.6222 15.6222 k = 0.0000 0.1271-0.0000 ( 3759 PWs) bands (ev): -5.3363 -5.3363 -3.6328 -3.6328 4.0393 4.0393 4.2564 4.2564 4.7519 4.7519 4.8334 4.8334 4.9590 4.9590 5.0112 5.0112 5.0738 5.0738 5.3554 5.3554 5.4764 5.4764 5.7949 5.7949 5.9389 5.9389 6.0938 6.0938 6.1615 6.1615 6.2838 6.2838 6.5829 6.5829 6.6495 6.6495 6.8289 6.8289 6.8854 6.8854 6.9859 6.9859 7.1971 7.1971 7.2958 7.2958 7.4047 7.4047 7.8587 7.8587 7.9120 7.9120 9.3856 9.3856 10.2660 10.2660 10.4042 10.4042 12.2637 12.2637 12.8251 12.8251 15.1643 15.1643 15.5222 15.5222 15.5878 15.5878 k = 0.0000 0.1144-0.0000 ( 3765 PWs) bands (ev): -5.3585 -5.3585 -3.6373 -3.6373 4.1346 4.1346 4.2681 4.2681 4.7604 4.7604 4.8653 4.8653 4.9672 4.9672 5.0245 5.0245 5.0680 5.0680 5.3410 5.3410 5.4672 5.4672 5.8097 5.8097 5.9439 5.9439 6.1016 6.1016 6.1645 6.1645 6.2870 6.2870 6.5771 6.5771 6.6382 6.6382 6.8313 6.8313 6.8784 6.8784 6.9743 6.9743 7.2031 7.2031 7.3005 7.3005 7.4146 7.4146 7.8279 7.8279 7.9546 7.9546 9.3044 9.3044 10.2243 10.2243 10.3340 10.3340 12.2800 12.2800 12.8410 12.8410 15.1297 15.1297 15.4905 15.4905 15.5538 15.5538 k = 0.0000 0.1017-0.0000 ( 3757 PWs) bands (ev): -5.3785 -5.3785 -3.6416 -3.6416 4.2060 4.2060 4.2967 4.2967 4.7680 4.7680 4.8974 4.8974 4.9753 4.9753 5.0372 5.0372 5.0643 5.0643 5.3273 5.3273 5.4549 5.4549 5.8235 5.8235 5.9468 5.9468 6.1101 6.1101 6.1680 6.1680 6.2901 6.2901 6.5667 6.5667 6.6323 6.6323 6.8333 6.8333 6.8706 6.8706 6.9632 6.9632 7.2088 7.2088 7.3064 7.3064 7.4232 7.4232 7.7992 7.7992 8.0049 8.0049 9.2235 9.2235 10.1469 10.1469 10.3002 10.3002 12.2737 12.2737 12.8849 12.8849 15.0950 15.0950 15.4567 15.4567 15.5168 15.5168 k = 0.0000 0.0890-0.0000 ( 3765 PWs) bands (ev): -5.3962 -5.3962 -3.6456 -3.6456 4.2318 4.2318 4.3636 4.3636 4.7743 4.7743 4.9282 4.9282 4.9832 4.9832 5.0490 5.0490 5.0631 5.0631 5.3144 5.3144 5.4399 5.4399 5.8357 5.8357 5.9480 5.9480 6.1186 6.1186 6.1721 6.1721 6.2929 6.2929 6.5539 6.5539 6.6297 6.6297 6.8342 6.8342 6.8631 6.8631 6.9528 6.9528 7.2135 7.2135 7.3134 7.3134 7.4303 7.4303 7.7734 7.7734 8.0614 8.0614 9.1450 9.1450 10.0539 10.0539 10.2842 10.2842 12.2544 12.2544 12.9453 12.9453 15.0609 15.0609 15.4243 15.4243 15.4788 15.4788 k = 0.0000 0.0763-0.0000 ( 3769 PWs) bands (ev): -5.4116 -5.4116 -3.6493 -3.6493 4.2371 4.2371 4.4431 4.4431 4.7794 4.7794 4.9552 4.9552 4.9916 4.9916 5.0588 5.0588 5.0661 5.0661 5.3026 5.3026 5.4230 5.4230 5.8464 5.8464 5.9475 5.9475 6.1264 6.1264 6.1768 6.1768 6.2954 6.2954 6.5408 6.5408 6.6287 6.6287 6.8329 6.8329 6.8575 6.8575 6.9431 6.9431 7.2173 7.2173 7.3213 7.3213 7.4358 7.4358 7.7506 7.7506 8.1220 8.1220 9.0713 9.0713 9.9591 9.9591 10.2739 10.2739 12.2301 12.2301 13.0118 13.0118 15.0283 15.0283 15.3942 15.3942 15.4425 15.4425 k = 0.0000 0.0636-0.0000 ( 3773 PWs) bands (ev): -5.4247 -5.4247 -3.6526 -3.6526 4.2373 4.2373 4.5186 4.5186 4.7831 4.7831 4.9752 4.9752 5.0015 5.0015 5.0664 5.0664 5.0745 5.0745 5.2923 5.2923 5.4047 5.4047 5.8554 5.8554 5.9459 5.9459 6.1330 6.1330 6.1819 6.1819 6.2977 6.2977 6.5287 6.5287 6.6282 6.6282 6.8289 6.8289 6.8549 6.8549 6.9345 6.9345 7.2200 7.2200 7.3297 7.3297 7.4398 7.4398 7.7308 7.7308 8.1844 8.1844 9.0043 9.0043 9.8676 9.8676 10.2662 10.2662 12.2059 12.2059 13.0773 13.0773 14.9980 14.9980 15.3667 15.3667 15.4105 15.4105 k = 0.0000 0.0508-0.0000 ( 3777 PWs) bands (ev): -5.4354 -5.4354 -3.6553 -3.6553 4.2360 4.2360 4.5855 4.5855 4.7850 4.7850 4.9864 4.9864 5.0127 5.0127 5.0753 5.0753 5.0852 5.0852 5.2840 5.2840 5.3856 5.3856 5.8629 5.8629 5.9435 5.9435 6.1382 6.1382 6.1871 6.1871 6.2996 6.2996 6.5182 6.5182 6.6278 6.6278 6.8232 6.8232 6.8545 6.8545 6.9270 6.9270 7.2218 7.2218 7.3381 7.3381 7.4422 7.4422 7.7143 7.7143 8.2453 8.2453 8.9462 8.9462 9.7832 9.7832 10.2602 10.2602 12.1843 12.1843 13.1369 13.1369 14.9710 14.9710 15.3423 15.3423 15.3841 15.3841 k = 0.0000 0.0381-0.0000 ( 3771 PWs) bands (ev): -5.4438 -5.4438 -3.6575 -3.6575 4.2343 4.2343 4.6416 4.6416 4.7851 4.7851 4.9921 4.9921 5.0220 5.0220 5.0844 5.0844 5.0977 5.0977 5.2782 5.2782 5.3668 5.3668 5.8687 5.8687 5.9409 5.9409 6.1421 6.1421 6.1918 6.1918 6.3013 6.3013 6.5099 6.5099 6.6276 6.6276 6.8176 6.8176 6.8551 6.8551 6.9210 6.9210 7.2229 7.2229 7.3458 7.3458 7.4435 7.4435 7.7012 7.7012 8.3007 8.3007 8.8989 8.8989 9.7098 9.7098 10.2557 10.2557 12.1668 12.1668 13.1870 13.1870 14.9483 14.9483 15.3217 15.3217 15.3639 15.3639 k = 0.0000 0.0254-0.0000 ( 3775 PWs) bands (ev): -5.4497 -5.4497 -3.6591 -3.6591 4.2328 4.2328 4.6852 4.6852 4.7829 4.7829 4.9952 4.9952 5.0281 5.0281 5.0913 5.0913 5.1105 5.1105 5.2755 5.2755 5.3497 5.3497 5.8728 5.8728 5.9386 5.9386 6.1447 6.1447 6.1956 6.1956 6.3025 6.3025 6.5038 6.5038 6.6272 6.6272 6.8131 6.8131 6.8558 6.8558 6.9165 6.9165 7.2235 7.2235 7.3521 7.3521 7.4439 7.4439 7.6917 7.6917 8.3459 8.3459 8.8639 8.8639 9.6521 9.6521 10.2525 10.2525 12.1540 12.1540 13.2248 13.2248 14.9312 14.9312 15.3061 15.3061 15.3498 15.3498 k = 0.0000 0.0127-0.0000 ( 3777 PWs) bands (ev): -5.4533 -5.4533 -3.6601 -3.6601 4.2319 4.2319 4.7148 4.7148 4.7787 4.7787 4.9967 4.9967 5.0314 5.0314 5.0955 5.0955 5.1199 5.1199 5.2753 5.2753 5.3368 5.3368 5.8753 5.8753 5.9370 5.9370 6.1462 6.1462 6.1981 6.1981 6.3033 6.3033 6.5001 6.5001 6.6269 6.6269 6.8102 6.8102 6.8563 6.8563 6.9137 6.9137 7.2238 7.2238 7.3562 7.3562 7.4439 7.4439 7.6860 7.6860 8.3757 8.3757 8.8423 8.8423 9.6148 9.6148 10.2506 10.2506 12.1462 12.1462 13.2484 13.2484 14.9205 14.9205 15.2964 15.2964 15.3415 15.3415 k = 0.0000 0.0000 0.0000 ( 3777 PWs) bands (ev): -5.4545 -5.4545 -3.6604 -3.6604 4.2315 4.2315 4.7261 4.7261 4.7759 4.7759 4.9972 4.9972 5.0325 5.0325 5.0969 5.0969 5.1233 5.1233 5.2757 5.2757 5.3318 5.3318 5.8761 5.8761 5.9364 5.9364 6.1467 6.1467 6.1990 6.1990 6.3035 6.3035 6.4989 6.4989 6.6268 6.6268 6.8092 6.8092 6.8564 6.8564 6.9128 6.9128 7.2239 7.2239 7.3576 7.3576 7.4438 7.4438 7.6840 7.6840 8.3862 8.3862 8.8351 8.8351 9.6019 9.6019 10.2499 10.2499 12.1436 12.1436 13.2564 13.2564 14.9168 14.9168 15.2931 15.2931 15.3387 15.3387 k = 0.0000 0.0000 0.0000 ( 3777 PWs) bands (ev): -5.4545 -5.4545 -3.6604 -3.6604 4.2315 4.2315 4.7261 4.7261 4.7759 4.7759 4.9972 4.9972 5.0325 5.0325 5.0969 5.0969 5.1233 5.1233 5.2757 5.2757 5.3318 5.3318 5.8761 5.8761 5.9364 5.9364 6.1467 6.1467 6.1990 6.1990 6.3035 6.3035 6.4989 6.4989 6.6268 6.6268 6.8092 6.8092 6.8564 6.8564 6.9128 6.9128 7.2239 7.2239 7.3576 7.3576 7.4438 7.4438 7.6840 7.6840 8.3862 8.3862 8.8351 8.8351 9.6019 9.6019 10.2499 10.2499 12.1436 12.1436 13.2564 13.2564 14.9168 14.9168 15.2931 15.2931 15.3387 15.3387 k = 0.0000 0.0000 0.0129 ( 3773 PWs) bands (ev): -5.4543 -5.4543 -3.6606 -3.6606 4.2282 4.2282 4.7254 4.7254 4.7737 4.7737 4.9967 4.9967 5.0326 5.0326 5.0939 5.0939 5.1274 5.1274 5.2749 5.2749 5.3342 5.3342 5.8738 5.8738 5.9443 5.9443 6.1472 6.1472 6.1991 6.1991 6.3032 6.3032 6.4978 6.4978 6.6277 6.6277 6.8084 6.8084 6.8561 6.8561 6.9121 6.9121 7.2235 7.2235 7.3572 7.3572 7.4459 7.4459 7.6862 7.6862 8.3856 8.3856 8.8333 8.8333 9.6063 9.6063 10.2495 10.2495 12.1432 12.1432 13.2551 13.2551 14.9155 14.9155 15.2856 15.2856 15.3341 15.3341 k = 0.0000 0.0000 0.0258 ( 3775 PWs) bands (ev): -5.4538 -5.4538 -3.6611 -3.6611 4.2185 4.2185 4.7231 4.7231 4.7672 4.7672 4.9952 4.9952 5.0327 5.0327 5.0874 5.0874 5.1369 5.1369 5.2724 5.2724 5.3411 5.3411 5.8704 5.8704 5.9637 5.9637 6.1488 6.1488 6.1996 6.1996 6.3022 6.3022 6.4947 6.4947 6.6303 6.6303 6.8060 6.8060 6.8553 6.8553 6.9102 6.9102 7.2224 7.2224 7.3560 7.3560 7.4515 7.4515 7.6928 7.6928 8.3837 8.3837 8.8280 8.8280 9.6193 9.6193 10.2480 10.2480 12.1421 12.1421 13.2512 13.2512 14.9116 14.9116 15.2626 15.2626 15.3213 15.3213 k = 0.0000 0.0000 0.0387 ( 3775 PWs) bands (ev): -5.4530 -5.4530 -3.6618 -3.6618 4.2029 4.2029 4.7185 4.7185 4.7579 4.7579 4.9922 4.9922 5.0329 5.0329 5.0796 5.0796 5.1491 5.1491 5.2693 5.2693 5.3523 5.3523 5.8705 5.8705 5.9891 5.9891 6.1520 6.1520 6.2006 6.2006 6.3005 6.3005 6.4899 6.4899 6.6345 6.6345 6.8017 6.8017 6.8540 6.8540 6.9074 6.9074 7.2206 7.2206 7.3543 7.3543 7.4606 7.4606 7.7035 7.7035 8.3807 8.3807 8.8196 8.8196 9.6407 9.6407 10.2456 10.2456 12.1403 12.1403 13.2445 13.2445 14.9046 14.9046 15.2240 15.2240 15.3022 15.3022 k = 0.0000 0.0000 0.0516 ( 3771 PWs) bands (ev): -5.4518 -5.4518 -3.6629 -3.6629 4.1823 4.1823 4.7106 4.7106 4.7470 4.7470 4.9877 4.9877 5.0332 5.0332 5.0713 5.0713 5.1612 5.1612 5.2674 5.2674 5.3669 5.3669 5.8756 5.8756 6.0167 6.0167 6.1581 6.1581 6.2020 6.2020 6.2983 6.2983 6.4837 6.4837 6.6397 6.6397 6.7952 6.7952 6.8527 6.8527 6.9042 6.9042 7.2182 7.2182 7.3523 7.3523 7.4728 7.4728 7.7180 7.7180 8.3766 8.3766 8.8086 8.8086 9.6697 9.6697 10.2423 10.2423 12.1378 12.1378 13.2347 13.2347 14.8935 14.8935 15.1714 15.1714 15.2787 15.2787 k = 0.0000 0.0000 0.0645 ( 3775 PWs) bands (ev): -5.4504 -5.4504 -3.6643 -3.6643 4.1578 4.1578 4.6990 4.6990 4.7358 4.7358 4.9816 4.9816 5.0335 5.0335 5.0629 5.0629 5.1700 5.1700 5.2699 5.2699 5.3844 5.3844 5.8855 5.8855 6.0428 6.0428 6.1692 6.1692 6.2040 6.2040 6.2955 6.2955 6.4764 6.4764 6.6459 6.6459 6.7861 6.7861 6.8514 6.8514 6.9009 6.9009 7.2153 7.2153 7.3503 7.3503 7.4876 7.4876 7.7361 7.7361 8.3713 8.3713 8.7954 8.7954 9.7058 9.7058 10.2380 10.2380 12.1345 12.1345 13.2214 13.2214 14.8767 14.8767 15.1080 15.1080 15.2523 15.2523 k = 0.0000 0.0000 0.0774 ( 3777 PWs) bands (ev): -5.4486 -5.4486 -3.6660 -3.6660 4.1302 4.1302 4.6840 4.6840 4.7239 4.7239 4.9740 4.9740 5.0339 5.0339 5.0545 5.0545 5.1726 5.1726 5.2802 5.2802 5.4043 5.4043 5.8993 5.8993 6.0638 6.0638 6.1875 6.1875 6.2069 6.2069 6.2925 6.2925 6.4683 6.4683 6.6525 6.6525 6.7747 6.7747 6.8503 6.8503 6.8981 6.8981 7.2122 7.2122 7.3483 7.3483 7.5051 7.5051 7.7573 7.7573 8.3650 8.3650 8.7805 8.7805 9.7483 9.7483 10.2329 10.2329 12.1306 12.1306 13.2038 13.2038 14.8505 14.8505 15.0397 15.0397 15.2247 15.2247 k = 0.0000 0.0000 0.0903 ( 3782 PWs) bands (ev): -5.4466 -5.4466 -3.6679 -3.6679 4.1006 4.1006 4.6669 4.6669 4.7104 4.7104 4.9655 4.9655 5.0343 5.0343 5.0466 5.0466 5.1688 5.1688 5.2983 5.2983 5.4260 5.4260 5.9155 5.9155 6.0775 6.0775 6.2077 6.2077 6.2166 6.2166 6.2898 6.2898 6.4599 6.4599 6.6595 6.6595 6.7610 6.7610 6.8497 6.8497 6.8958 6.8958 7.2088 7.2088 7.3464 7.3464 7.5251 7.5251 7.7812 7.7812 8.3578 8.3578 8.7644 8.7644 9.7965 9.7965 10.2268 10.2268 12.1260 12.1260 13.1811 13.1811 14.8085 14.8085 14.9755 14.9755 15.1975 15.1975 k = 0.0000 0.0000 0.1032 ( 3790 PWs) bands (ev): -5.4444 -5.4444 -3.6700 -3.6700 4.0699 4.0699 4.6486 4.6486 4.6947 4.6947 4.9563 4.9563 5.0347 5.0347 5.0392 5.0392 5.1614 5.1614 5.3219 5.3219 5.4492 5.4492 5.9329 5.9329 6.0849 6.0849 6.2130 6.2130 6.2451 6.2451 6.2907 6.2907 6.4515 6.4515 6.6665 6.6665 6.7459 6.7459 6.8493 6.8493 6.8941 6.8941 7.2053 7.2053 7.3446 7.3446 7.5477 7.5477 7.8072 7.8072 8.3496 8.3496 8.7475 8.7475 9.8499 9.8499 10.2199 10.2199 12.1208 12.1208 13.1525 13.1525 14.7454 14.7454 14.9237 14.9237 15.1721 15.1721 k = 0.0000 0.0000 0.1161 ( 3778 PWs) bands (ev): -5.4420 -5.4420 -3.6723 -3.6723 4.0388 4.0388 4.6299 4.6299 4.6765 4.6765 4.9467 4.9467 5.0317 5.0317 5.0360 5.0360 5.1528 5.1528 5.3490 5.3490 5.4739 5.4739 5.9501 5.9501 6.0882 6.0882 6.2175 6.2175 6.2626 6.2626 6.3074 6.3074 6.4439 6.4439 6.6733 6.6733 6.7302 6.7302 6.8494 6.8494 6.8932 6.8932 7.2018 7.2018 7.3430 7.3430 7.5730 7.5730 7.8351 7.8351 8.3408 8.3408 8.7300 8.7300 9.9077 9.9077 10.2123 10.2123 12.1149 12.1149 13.1168 13.1168 14.6655 14.6655 14.8836 14.8836 15.1494 15.1494 k = 0.0000 0.0000 0.1290 ( 3780 PWs) bands (ev): -5.4394 -5.4394 -3.6747 -3.6747 4.0079 4.0079 4.6111 4.6111 4.6556 4.6556 4.9370 4.9370 5.0257 5.0257 5.0364 5.0364 5.1441 5.1441 5.3781 5.3781 5.4994 5.4994 5.9660 5.9660 6.0889 6.0889 6.2216 6.2216 6.2644 6.2644 6.3396 6.3396 6.4385 6.4385 6.6787 6.6787 6.7154 6.7154 6.8498 6.8498 6.8929 6.8929 7.1982 7.1982 7.3414 7.3414 7.6012 7.6012 7.8643 7.8643 8.3314 8.3314 8.7122 8.7122 9.9696 9.9696 10.2041 10.2041 12.1084 12.1084 13.0728 13.0728 14.5785 14.5785 14.8491 14.8491 15.1300 15.1300 k = 0.0000 0.0000 0.1419 ( 3764 PWs) bands (ev): -5.4367 -5.4367 -3.6773 -3.6773 3.9779 3.9779 4.5924 4.5924 4.6327 4.6327 4.9274 4.9274 5.0204 5.0204 5.0370 5.0370 5.1361 5.1361 5.4084 5.4084 5.5260 5.5260 5.9802 5.9802 6.0878 6.0878 6.2238 6.2238 6.2640 6.2640 6.3688 6.3688 6.4401 6.4401 6.6800 6.6800 6.7056 6.7056 6.8507 6.8507 6.8935 6.8935 7.1947 7.1947 7.3399 7.3399 7.6323 7.6323 7.8944 7.8944 8.3215 8.3215 8.6941 8.6941 10.0345 10.0345 10.1961 10.1961 12.1012 12.1012 13.0194 13.0194 14.4917 14.4917 14.8168 14.8168 15.1139 15.1139 k = 0.0000 0.0000 0.1548 ( 3768 PWs) bands (ev): -5.4339 -5.4339 -3.6799 -3.6799 3.9490 3.9490 4.5738 4.5738 4.6085 4.6085 4.9182 4.9182 5.0158 5.0158 5.0376 5.0376 5.1290 5.1290 5.4391 5.4391 5.5531 5.5531 5.9919 5.9919 6.0856 6.0856 6.2223 6.2223 6.2660 6.2660 6.3823 6.3823 6.4553 6.4553 6.6735 6.6735 6.7052 6.7052 6.8520 6.8520 6.8948 6.8948 7.1910 7.1910 7.3385 7.3385 7.6664 7.6664 7.9248 7.9248 8.3113 8.3113 8.6757 8.6757 10.0998 10.0998 10.1906 10.1906 12.0932 12.0932 12.9559 12.9559 14.4098 14.4098 14.7855 14.7855 15.1009 15.1009 k = 0.0000 0.0000 0.1677 ( 3768 PWs) bands (ev): -5.4311 -5.4311 -3.6826 -3.6826 3.9216 3.9216 4.5547 4.5547 4.5843 4.5843 4.9092 4.9092 5.0120 5.0120 5.0383 5.0383 5.1230 5.1230 5.4700 5.4700 5.5810 5.5810 6.0013 6.0013 6.0825 6.0825 6.2165 6.2165 6.2716 6.2716 6.3820 6.3820 6.4788 6.4788 6.6654 6.6654 6.7099 6.7099 6.8539 6.8539 6.8971 6.8971 7.1875 7.1875 7.3371 7.3371 7.7035 7.7035 7.9554 7.9554 8.3009 8.3009 8.6570 8.6570 10.1473 10.1473 10.2057 10.2057 12.0844 12.0844 12.8822 12.8822 14.3357 14.3357 14.7550 14.7550 15.0905 15.0905 k = 0.0000 0.0000 0.1806 ( 3764 PWs) bands (ev): -5.4283 -5.4283 -3.6852 -3.6852 3.8961 3.8961 4.5341 4.5341 4.5620 4.5620 4.9008 4.9008 5.0090 5.0090 5.0389 5.0389 5.1180 5.1180 5.5008 5.5008 5.6093 5.6093 6.0082 6.0082 6.0787 6.0787 6.2077 6.2077 6.2796 6.2796 6.3765 6.3765 6.4989 6.4989 6.6619 6.6619 6.7158 6.7158 6.8565 6.8565 6.9005 6.9005 7.1841 7.1841 7.3358 7.3358 7.7435 7.7435 7.9856 7.9856 8.2906 8.2906 8.6381 8.6381 10.1511 10.1511 10.2672 10.2672 12.0744 12.0744 12.7986 12.7986 14.2710 14.2710 14.7258 14.7258 15.0822 15.0822 k = 0.0000 0.0000 0.1935 ( 3760 PWs) bands (ev): -5.4256 -5.4256 -3.6878 -3.6878 3.8726 3.8726 4.5113 4.5113 4.5430 4.5430 4.8928 4.8928 5.0066 5.0066 5.0396 5.0396 5.1139 5.1139 5.5310 5.5310 5.6380 5.6380 6.0129 6.0129 6.0742 6.0742 6.1968 6.1968 6.2886 6.2886 6.3694 6.3694 6.5098 6.5098 6.6652 6.6652 6.7219 6.7219 6.8597 6.8597 6.9052 6.9052 7.1807 7.1807 7.3346 7.3346 7.7861 7.7861 8.0152 8.0152 8.2803 8.2803 8.6188 8.6188 10.1431 10.1431 10.3433 10.3433 12.0628 12.0628 12.7069 12.7069 14.2161 14.2161 14.6984 14.6984 15.0758 15.0758 k = 0.0000 0.0000 0.2064 ( 3754 PWs) bands (ev): -5.4230 -5.4230 -3.6904 -3.6904 3.8512 3.8512 4.4871 4.4871 4.5273 4.5273 4.8855 4.8855 5.0048 5.0048 5.0402 5.0402 5.1105 5.1105 5.5605 5.5605 5.6668 5.6668 6.0154 6.0154 6.0693 6.0693 6.1848 6.1848 6.2980 6.2980 6.3618 6.3618 6.5114 6.5114 6.6741 6.6741 6.7281 6.7281 6.8634 6.8634 6.9116 6.9116 7.1773 7.1773 7.3335 7.3335 7.8308 7.8308 8.0437 8.0437 8.2705 8.2705 8.5989 8.5989 10.1330 10.1330 10.4242 10.4242 12.0488 12.0488 12.6093 12.6093 14.1707 14.1707 14.6729 14.6729 15.0707 15.0707 k = 0.0000 0.0000 0.2193 ( 3756 PWs) bands (ev): -5.4205 -5.4205 -3.6927 -3.6927 3.8321 3.8321 4.4629 4.4629 4.5140 4.5140 4.8788 4.8788 5.0035 5.0035 5.0408 5.0408 5.1078 5.1078 5.5888 5.5888 5.6957 5.6957 6.0157 6.0157 6.0639 6.0639 6.1719 6.1719 6.3072 6.3072 6.3541 6.3541 6.5066 6.5066 6.6853 6.6853 6.7338 6.7338 6.8671 6.8671 6.9198 6.9198 7.1740 7.1740 7.3324 7.3324 7.8769 7.8769 8.0710 8.0710 8.2611 8.2611 8.5785 8.5785 10.1226 10.1226 10.5081 10.5081 12.0306 12.0306 12.5096 12.5096 14.1340 14.1340 14.6499 14.6499 15.0668 15.0668 k = 0.0000 0.0000 0.2322 ( 3748 PWs) bands (ev): -5.4182 -5.4182 -3.6950 -3.6950 3.8152 3.8152 4.4400 4.4400 4.5026 4.5026 4.8727 4.8727 5.0025 5.0025 5.0413 5.0413 5.1056 5.1056 5.6157 5.6157 5.7244 5.7244 6.0140 6.0140 6.0580 6.0580 6.1590 6.1590 6.3157 6.3157 6.3468 6.3468 6.4988 6.4988 6.6958 6.6958 6.7395 6.7395 6.8705 6.8705 6.9296 6.9296 7.1708 7.1708 7.3314 7.3314 7.9236 7.9236 8.0967 8.0967 8.2524 8.2524 8.5573 8.5573 10.1123 10.1123 10.5946 10.5946 12.0056 12.0056 12.4128 12.4128 14.1050 14.1050 14.6294 14.6294 15.0638 15.0638 k = 0.0000 0.0000 0.2451 ( 3748 PWs) bands (ev): -5.4161 -5.4161 -3.6970 -3.6970 3.8007 3.8007 4.4189 4.4189 4.4928 4.4928 4.8674 4.8674 5.0018 5.0018 5.0418 5.0418 5.1038 5.1038 5.6408 5.6408 5.7526 5.7526 6.0102 6.0102 6.0516 6.0516 6.1465 6.1465 6.3233 6.3233 6.3400 6.3400 6.4900 6.4900 6.7043 6.7043 6.7448 6.7448 6.8734 6.8734 6.9404 6.9404 7.1676 7.1676 7.3305 7.3305 7.9695 7.9695 8.1208 8.1208 8.2445 8.2445 8.5355 8.5355 10.1027 10.1027 10.6831 10.6831 11.9690 11.9690 12.3259 12.3259 14.0823 14.0823 14.6116 14.6116 15.0616 15.0616 k = 0.0000 0.0000 0.2580 ( 3752 PWs) bands (ev): -5.4142 -5.4142 -3.6987 -3.6987 3.7884 3.7884 4.4003 4.4003 4.4846 4.4846 4.8628 4.8628 5.0013 5.0013 5.0422 5.0422 5.1025 5.1025 5.6636 5.6636 5.7802 5.7802 6.0040 6.0040 6.0449 6.0449 6.1352 6.1352 6.3285 6.3285 6.3351 6.3351 6.4816 6.4816 6.7106 6.7106 6.7495 6.7495 6.8758 6.8758 6.9514 6.9514 7.1646 7.1646 7.3297 7.3297 8.0131 8.0131 8.1433 8.1433 8.2376 8.2376 8.5129 8.5129 10.0940 10.0940 10.7729 10.7729 11.9157 11.9157 12.2565 12.2565 14.0650 14.0650 14.5966 14.5966 15.0599 15.0599 k = 0.0000 0.0000 0.2709 ( 3748 PWs) bands (ev): -5.4127 -5.4127 -3.7002 -3.7002 3.7785 3.7785 4.3845 4.3845 4.4779 4.4779 4.8591 4.8591 5.0010 5.0010 5.0426 5.0426 5.1015 5.1015 5.6836 5.6836 5.8067 5.8067 5.9956 5.9956 6.0380 6.0380 6.1257 6.1257 6.3261 6.3261 6.3375 6.3375 6.4742 6.4742 6.7150 6.7150 6.7535 6.7535 6.8777 6.8777 6.9617 6.9617 7.1620 7.1620 7.3291 7.3291 8.0523 8.0523 8.1646 8.1646 8.2319 8.2319 8.4901 8.4901 10.0864 10.0864 10.8627 10.8627 11.8451 11.8451 12.2082 12.2082 14.0522 14.0522 14.5844 14.5844 15.0586 15.0586 k = 0.0000 0.0000 0.2838 ( 3740 PWs) bands (ev): -5.4115 -5.4115 -3.7014 -3.7014 3.7708 3.7708 4.3719 4.3719 4.4727 4.4727 4.8561 4.8561 5.0008 5.0008 5.0429 5.0429 5.1007 5.1007 5.7002 5.7002 5.8317 5.8317 5.9850 5.9850 6.0316 6.0316 6.1183 6.1183 6.3218 6.3218 6.3416 6.3416 6.4682 6.4682 6.7180 6.7180 6.7568 6.7568 6.8791 6.8791 6.9706 6.9706 7.1597 7.1597 7.3286 7.3286 8.0849 8.0849 8.1850 8.1850 8.2276 8.2276 8.4678 8.4678 10.0803 10.0803 10.9500 10.9500 11.7641 11.7641 12.1779 12.1779 14.0429 14.0429 14.5749 14.5749 15.0578 15.0578 k = 0.0000 0.0000 0.2967 ( 3738 PWs) bands (ev): -5.4106 -5.4106 -3.7022 -3.7022 3.7653 3.7653 4.3627 4.3627 4.4690 4.4690 4.8540 4.8540 5.0007 5.0007 5.0431 5.0431 5.1002 5.1002 5.7128 5.7128 5.8538 5.8538 5.9730 5.9730 6.0263 6.0263 6.1132 6.1132 6.3184 6.3184 6.3447 6.3447 6.4638 6.4638 6.7199 6.7199 6.7591 6.7591 6.8801 6.8801 6.9774 6.9774 7.1579 7.1579 7.3282 7.3282 8.1086 8.1086 8.2031 8.2031 8.2252 8.2252 8.4478 8.4478 10.0757 10.0757 11.0295 11.0295 11.6843 11.6843 12.1602 12.1602 14.0367 14.0367 14.5682 14.5682 15.0572 15.0572 k = 0.0000 0.0000 0.3096 ( 3738 PWs) bands (ev): -5.4100 -5.4100 -3.7027 -3.7027 3.7621 3.7621 4.3572 4.3572 4.4668 4.4668 4.8527 4.8527 5.0007 5.0007 5.0432 5.0432 5.0999 5.0999 5.7207 5.7207 5.8707 5.8707 5.9620 5.9620 6.0228 6.0228 6.1102 6.1102 6.3162 6.3162 6.3467 6.3467 6.4612 6.4612 6.7209 6.7209 6.7605 6.7605 6.8806 6.8806 6.9816 6.9816 7.1568 7.1568 7.3280 7.3280 8.1226 8.1226 8.2141 8.2141 8.2271 8.2271 8.4330 8.4330 10.0730 10.0730 11.0905 11.0905 11.6215 11.6215 12.1510 12.1510 14.0332 14.0332 14.5642 14.5642 15.0569 15.0569 k = 0.0000 0.0000 0.3225 ( 3726 PWs) bands (ev): -5.4098 -5.4098 -3.7029 -3.7029 3.7610 3.7610 4.3553 4.3553 4.4660 4.4660 4.8523 4.8523 5.0007 5.0007 5.0433 5.0433 5.0998 5.0998 5.7234 5.7234 5.8776 5.8776 5.9572 5.9572 6.0217 6.0217 6.1092 6.1092 6.3155 6.3155 6.3473 6.3473 6.4604 6.4604 6.7213 6.7213 6.7610 6.7610 6.8809 6.8809 6.9831 6.9831 7.1565 7.1565 7.3279 7.3279 8.1271 8.1271 8.2161 8.2161 8.2303 8.2303 8.4274 8.4274 10.0720 10.0720 11.1146 11.1146 11.5965 11.5965 12.1481 12.1481 14.0320 14.0320 14.5628 14.5628 15.0568 15.0568 k = 0.0000 0.0000 0.3225 ( 3726 PWs) bands (ev): -5.4098 -5.4098 -3.7029 -3.7029 3.7610 3.7610 4.3553 4.3553 4.4660 4.4660 4.8523 4.8523 5.0007 5.0007 5.0433 5.0433 5.0998 5.0998 5.7234 5.7234 5.8776 5.8776 5.9572 5.9572 6.0217 6.0217 6.1092 6.1092 6.3155 6.3155 6.3473 6.3473 6.4604 6.4604 6.7213 6.7213 6.7610 6.7610 6.8809 6.8809 6.9831 6.9831 7.1565 7.1565 7.3279 7.3279 8.1271 8.1271 8.2161 8.2161 8.2303 8.2303 8.4274 8.4274 10.0720 10.0720 11.1146 11.1146 11.5965 11.5965 12.1481 12.1481 14.0320 14.0320 14.5628 14.5628 15.0568 15.0568 k = 0.0128-0.0000 0.3225 ( 3728 PWs) bands (ev): -5.4091 -5.4091 -3.7033 -3.7033 3.7609 3.7609 4.3551 4.3551 4.4663 4.4663 4.8520 4.8520 5.0011 5.0011 5.0441 5.0441 5.1003 5.1003 5.7239 5.7239 5.8770 5.8770 5.9573 5.9573 6.0223 6.0223 6.1089 6.1089 6.3080 6.3080 6.3467 6.3467 6.4671 6.4671 6.7217 6.7217 6.7608 6.7608 6.8812 6.8812 6.9828 6.9828 7.1565 7.1565 7.3272 7.3272 8.1238 8.1238 8.2147 8.2147 8.2289 8.2289 8.4295 8.4295 10.0700 10.0700 11.1159 11.1159 11.6005 11.6005 12.1506 12.1506 14.0339 14.0339 14.5505 14.5505 15.0562 15.0562 k = 0.0256-0.0000 0.3225 ( 3730 PWs) bands (ev): -5.4067 -5.4067 -3.7046 -3.7046 3.7605 3.7605 4.3542 4.3542 4.4671 4.4671 4.8509 4.8509 5.0025 5.0025 5.0465 5.0465 5.1016 5.1016 5.7257 5.7257 5.8750 5.8750 5.9577 5.9577 6.0240 6.0240 6.1078 6.1078 6.2878 6.2878 6.3463 6.3463 6.4838 6.4838 6.7230 6.7230 6.7604 6.7604 6.8823 6.8823 6.9819 6.9819 7.1566 7.1566 7.3251 7.3251 8.1141 8.1141 8.2104 8.2104 8.2254 8.2254 8.4353 8.4353 10.0640 10.0640 11.1197 11.1197 11.6124 11.6124 12.1580 12.1580 14.0394 14.0394 14.5141 14.5141 15.0551 15.0551 k = 0.0385-0.0000 0.3225 ( 3734 PWs) bands (ev): -5.4027 -5.4027 -3.7068 -3.7068 3.7597 3.7597 4.3528 4.3528 4.4685 4.4685 4.8492 4.8492 5.0050 5.0050 5.0505 5.0505 5.1037 5.1037 5.7286 5.7286 5.8716 5.8716 5.9581 5.9581 6.0269 6.0269 6.1062 6.1062 6.2599 6.2599 6.3466 6.3466 6.5049 6.5049 6.7250 6.7250 6.7598 6.7598 6.8840 6.8840 6.9805 6.9805 7.1569 7.1569 7.3216 7.3216 8.0983 8.0983 8.2026 8.2026 8.2210 8.2210 8.4440 8.4440 10.0544 10.0544 11.1258 11.1258 11.6319 11.6319 12.1701 12.1701 14.0475 14.0475 14.4567 14.4567 15.0551 15.0551 k = 0.0513-0.0000 0.3225 ( 3746 PWs) bands (ev): -5.3972 -5.3972 -3.7099 -3.7099 3.7587 3.7587 4.3508 4.3508 4.4705 4.4705 4.8468 4.8468 5.0085 5.0085 5.0559 5.0559 5.1068 5.1068 5.7325 5.7325 5.8669 5.8669 5.9582 5.9582 6.0309 6.0309 6.1040 6.1040 6.2279 6.2279 6.3474 6.3474 6.5271 6.5271 6.7277 6.7277 6.7589 6.7589 6.8864 6.8864 6.9785 6.9785 7.1572 7.1572 7.3168 7.3168 8.0770 8.0770 8.1915 8.1915 8.2162 8.2162 8.4545 8.4545 10.0417 10.0417 11.1339 11.1339 11.6585 11.6585 12.1867 12.1867 14.0548 14.0548 14.3845 14.3845 15.0575 15.0575 k = 0.0641-0.0000 0.3225 ( 3738 PWs) bands (ev): -5.3902 -5.3902 -3.7138 -3.7138 3.7572 3.7572 4.3482 4.3482 4.4731 4.4731 4.8439 4.8439 5.0134 5.0134 5.0627 5.0627 5.1109 5.1109 5.7374 5.7374 5.8608 5.8608 5.9578 5.9578 6.0361 6.0361 6.1016 6.1016 6.1944 6.1944 6.3486 6.3486 6.5489 6.5489 6.7308 6.7308 6.7583 6.7583 6.8895 6.8895 6.9761 6.9761 7.1576 7.1576 7.3107 7.3107 8.0511 8.0511 8.1776 8.1776 8.2107 8.2107 8.4660 8.4660 10.0264 10.0264 11.1437 11.1437 11.6916 11.6916 12.2074 12.2074 14.0516 14.0516 14.3112 14.3112 15.0632 15.0632 k = 0.0769-0.0000 0.3225 ( 3746 PWs) bands (ev): -5.3816 -5.3816 -3.7187 -3.7187 3.7552 3.7552 4.3449 4.3449 4.4763 4.4763 4.8404 4.8404 5.0197 5.0197 5.0708 5.0708 5.1159 5.1159 5.7431 5.7431 5.8534 5.8534 5.9558 5.9558 6.0424 6.0424 6.0989 6.0989 6.1610 6.1610 6.3501 6.3501 6.5695 6.5695 6.7338 6.7338 6.7581 6.7581 6.8930 6.8930 6.9733 6.9733 7.1579 7.1579 7.3034 7.3034 8.0213 8.0213 8.1612 8.1612 8.2044 8.2044 8.4778 8.4778 10.0094 10.0094 11.1548 11.1548 11.7305 11.7305 12.2318 12.2318 14.0144 14.0144 14.2645 14.2645 15.0723 15.0723 k = 0.0897-0.0000 0.3225 ( 3746 PWs) bands (ev): -5.3714 -5.3714 -3.7244 -3.7244 3.7527 3.7527 4.3410 4.3410 4.4800 4.4800 4.8367 4.8367 5.0274 5.0274 5.0802 5.0802 5.1221 5.1221 5.7494 5.7494 5.8445 5.8445 5.9513 5.9513 6.0497 6.0497 6.0962 6.0962 6.1298 6.1298 6.3518 6.3518 6.5883 6.5883 6.7360 6.7360 6.7591 6.7591 6.8969 6.8969 6.9705 6.9705 7.1582 7.1582 7.2948 7.2948 7.9886 7.9886 8.1424 8.1424 8.1970 8.1970 8.4896 8.4896 9.9912 9.9912 11.1668 11.1668 11.7746 11.7746 12.2593 12.2593 13.9283 13.9283 14.2633 14.2633 15.0848 15.0848 k = 0.1026-0.0000 0.3225 ( 3746 PWs) bands (ev): -5.3597 -5.3597 -3.7311 -3.7311 3.7495 3.7495 4.3364 4.3364 4.4845 4.4845 4.8327 4.8327 5.0366 5.0366 5.0909 5.0909 5.1295 5.1295 5.7558 5.7558 5.8343 5.8343 5.9424 5.9424 6.0582 6.0582 6.0925 6.0925 6.1041 6.1041 6.3536 6.3536 6.6053 6.6053 6.7366 6.7366 6.7619 6.7619 6.9008 6.9008 6.9677 6.9677 7.1582 7.1582 7.2853 7.2853 7.9535 7.9535 8.1212 8.1212 8.1886 8.1886 8.5012 8.5012 9.9726 9.9726 11.1792 11.1792 11.8233 11.8233 12.2893 12.2893 13.8105 13.8105 14.2935 14.2935 15.1006 15.1006 k = 0.1154-0.0000 0.3225 ( 3750 PWs) bands (ev): -5.3466 -5.3466 -3.7387 -3.7387 3.7456 3.7456 4.3311 4.3311 4.4895 4.4895 4.8286 4.8286 5.0472 5.0472 5.1027 5.1027 5.1381 5.1381 5.7612 5.7612 5.8230 5.8230 5.9279 5.9279 6.0670 6.0670 6.0804 6.0804 6.0946 6.0946 6.3556 6.3556 6.6202 6.6202 6.7357 6.7357 6.7664 6.7664 6.9046 6.9046 6.9656 6.9656 7.1580 7.1580 7.2747 7.2747 7.9166 7.9166 8.0976 8.0976 8.1791 8.1791 8.5124 8.5124 9.9540 9.9540 11.1917 11.1917 11.8757 11.8757 12.3211 12.3211 13.6776 13.6776 14.3418 14.3418 15.1193 15.1193 k = 0.1282-0.0000 0.3225 ( 3750 PWs) bands (ev): -5.3319 -5.3319 -3.7473 -3.7473 3.7410 3.7410 4.3250 4.3250 4.4952 4.4952 4.8247 4.8247 5.0592 5.0592 5.1157 5.1157 5.1481 5.1481 5.7638 5.7638 5.8108 5.8108 5.9087 5.9087 6.0657 6.0657 6.0792 6.0792 6.0933 6.0933 6.3576 6.3576 6.6331 6.6331 6.7335 6.7335 6.7719 6.7719 6.9077 6.9077 6.9646 6.9646 7.1574 7.1574 7.2633 7.2633 7.8786 7.8786 8.0716 8.0716 8.1684 8.1684 8.5233 8.5233 9.9359 9.9359 11.2039 11.2039 11.9314 11.9314 12.3539 12.3539 13.5370 13.5370 14.4031 14.4031 15.1411 15.1411 k = 0.1410-0.0000 0.3225 ( 3754 PWs) bands (ev): -5.3158 -5.3158 -3.7570 -3.7570 3.7356 3.7356 4.3181 4.3181 4.5016 4.5016 4.8212 4.8212 5.0726 5.0726 5.1298 5.1298 5.1594 5.1594 5.7600 5.7600 5.7979 5.7979 5.8891 5.8891 6.0592 6.0592 6.0877 6.0877 6.0957 6.0957 6.3597 6.3597 6.6438 6.6438 6.7306 6.7306 6.7778 6.7778 6.9096 6.9096 6.9654 6.9654 7.1561 7.1561 7.2513 7.2513 7.8398 7.8398 8.0434 8.0434 8.1565 8.1565 8.5340 8.5340 9.9187 9.9187 11.2155 11.2155 11.9897 11.9897 12.3872 12.3872 13.3928 13.3928 14.4755 14.4755 15.1657 15.1657 k = 0.1538-0.0000 0.3225 ( 3760 PWs) bands (ev): -5.2983 -5.2983 -3.7676 -3.7676 3.7293 3.7293 4.3103 4.3103 4.5087 4.5087 4.8181 4.8181 5.0872 5.0872 5.1451 5.1451 5.1723 5.1723 5.7469 5.7469 5.7824 5.7824 5.8763 5.8763 6.0561 6.0561 6.0913 6.0913 6.1057 6.1057 6.3619 6.3619 6.6523 6.6523 6.7271 6.7271 6.7837 6.7837 6.9101 6.9101 6.9685 6.9685 7.1539 7.1539 7.2390 7.2390 7.8005 7.8005 8.0129 8.0129 8.1435 8.1435 8.5443 8.5443 9.9025 9.9025 11.2263 11.2263 12.0497 12.0497 12.4204 12.4204 13.2477 13.2477 14.5582 14.5582 15.1932 15.1932 k = 0.1667-0.0000 0.3225 ( 3750 PWs) bands (ev): -5.2794 -5.2794 -3.7792 -3.7792 3.7224 3.7224 4.3017 4.3017 4.5164 4.5164 4.8156 4.8156 5.1032 5.1032 5.1615 5.1615 5.1867 5.1867 5.7241 5.7241 5.7628 5.7628 5.8744 5.8744 6.0552 6.0552 6.0942 6.0942 6.1190 6.1190 6.3642 6.3642 6.6587 6.6587 6.7233 6.7233 6.7890 6.7890 6.9093 6.9093 6.9738 6.9738 7.1504 7.1504 7.2268 7.2268 7.7611 7.7611 7.9805 7.9805 8.1294 8.1294 8.5546 8.5546 9.8876 9.8876 11.2360 11.2360 12.1104 12.1104 12.4529 12.4529 13.1041 13.1041 14.6508 14.6508 15.2235 15.2235 k = 0.1795-0.0000 0.3225 ( 3746 PWs) bands (ev): -5.2591 -5.2591 -3.7920 -3.7920 3.7147 3.7147 4.2921 4.2921 4.5249 4.5249 4.8136 4.8136 5.1201 5.1201 5.1790 5.1790 5.2026 5.2026 5.6931 5.6931 5.7413 5.7413 5.8808 5.8808 6.0552 6.0552 6.0982 6.0982 6.1335 6.1335 6.3667 6.3667 6.6629 6.6629 6.7192 6.7192 6.7935 6.7935 6.9079 6.9079 6.9811 6.9811 7.1450 7.1450 7.2153 7.2153 7.7216 7.7216 7.9462 7.9462 8.1141 8.1141 8.5649 8.5649 9.8740 9.8740 11.2444 11.2444 12.1697 12.1697 12.4845 12.4845 12.9651 12.9651 14.7527 14.7527 15.2568 15.2568 k = 0.1923-0.0000 0.3225 ( 3738 PWs) bands (ev): -5.2375 -5.2375 -3.8057 -3.8057 3.7063 3.7063 4.2815 4.2815 4.5341 4.5341 4.8124 4.8124 5.1381 5.1381 5.1975 5.1975 5.2200 5.2200 5.6568 5.6568 5.7194 5.7194 5.8921 5.8921 6.0554 6.0554 6.1037 6.1037 6.1491 6.1491 6.3695 6.3695 6.6650 6.6650 6.7149 6.7149 6.7967 6.7967 6.9066 6.9066 6.9899 6.9899 7.1373 7.1373 7.2050 7.2050 7.6824 7.6824 7.9104 7.9104 8.0976 8.0976 8.5752 8.5752 9.8615 9.8615 11.2514 11.2514 12.2236 12.2236 12.5145 12.5145 12.8360 12.8360 14.8630 14.8630 15.2931 15.2931 k = 0.2051-0.0000 0.3225 ( 3740 PWs) bands (ev): -5.2145 -5.2145 -3.8206 -3.8206 3.6975 3.6975 4.2697 4.2697 4.5439 4.5439 4.8118 4.8118 5.1568 5.1568 5.2171 5.2171 5.2387 5.2387 5.6182 5.6182 5.6974 5.6974 5.9060 5.9060 6.0556 6.0556 6.1105 6.1105 6.1654 6.1654 6.3724 6.3724 6.6648 6.6648 6.7103 6.7103 6.7983 6.7983 6.9059 6.9059 6.9998 6.9998 7.1269 7.1269 7.1962 7.1962 7.6436 7.6436 7.8731 7.8731 8.0801 8.0801 8.5858 8.5858 9.8501 9.8501 11.2568 11.2568 12.2620 12.2620 12.5426 12.5426 12.7283 12.7283 14.9805 14.9805 15.3330 15.3330 k = 0.2179-0.0000 0.3225 ( 3748 PWs) bands (ev): -5.1904 -5.1904 -3.8366 -3.8366 3.6884 3.6884 4.2569 4.2569 4.5545 4.5545 4.8119 4.8119 5.1759 5.1759 5.2374 5.2374 5.2584 5.2584 5.5793 5.5793 5.6750 5.6750 5.9217 5.9217 6.0556 6.0556 6.1186 6.1186 6.1825 6.1825 6.3757 6.3757 6.6624 6.6624 6.7054 6.7054 6.7982 6.7982 6.9062 6.9062 7.0104 7.0104 7.1141 7.1141 7.1889 7.1889 7.6053 7.6053 7.8346 7.8346 8.0614 8.0614 8.5966 8.5966 9.8394 9.8394 11.2605 11.2605 12.2629 12.2629 12.5692 12.5692 12.6640 12.6640 15.1031 15.1031 15.3775 15.3775 k = 0.2308-0.0000 0.3225 ( 3754 PWs) bands (ev): -5.1650 -5.1650 -3.8538 -3.8538 3.6790 3.6790 4.2429 4.2429 4.5657 4.5657 4.8125 4.8125 5.1951 5.1951 5.2587 5.2587 5.2785 5.2785 5.5421 5.5421 5.6525 5.6525 5.9382 5.9382 6.0557 6.0557 6.1277 6.1277 6.2002 6.2002 6.3794 6.3794 6.6582 6.6582 6.7000 6.7000 6.7965 6.7965 6.9077 6.9077 7.0210 7.0210 7.0997 7.0997 7.1827 7.1827 7.5676 7.5676 7.7952 7.7952 8.0417 8.0417 8.6078 8.6078 9.8292 9.8292 11.2623 11.2623 12.2079 12.2079 12.6022 12.6022 12.6548 12.6548 15.2266 15.2266 15.4291 15.4291 k = 0.2436-0.0000 0.3225 ( 3740 PWs) bands (ev): -5.1384 -5.1384 -3.8720 -3.8720 3.6698 3.6698 4.2277 4.2277 4.5777 4.5777 4.8139 4.8139 5.2140 5.2140 5.2806 5.2806 5.2976 5.2976 5.5089 5.5089 5.6304 5.6304 5.9552 5.9552 6.0561 6.0561 6.1378 6.1378 6.2186 6.2186 6.3837 6.3837 6.6523 6.6523 6.6942 6.6942 6.7936 6.7936 6.9104 6.9104 7.0301 7.0301 7.0856 7.0856 7.1771 7.1771 7.5308 7.5308 7.7553 7.7553 8.0210 8.0210 8.6197 8.6197 9.8192 9.8192 11.2623 11.2623 12.1133 12.1133 12.6448 12.6448 12.6820 12.6820 15.3418 15.3418 15.4951 15.4951 k = 0.2564-0.0000 0.3225 ( 3740 PWs) bands (ev): -5.1107 -5.1107 -3.8914 -3.8914 3.6608 3.6608 4.2112 4.2112 4.5904 4.5904 4.8157 4.8157 5.2311 5.2311 5.3029 5.3029 5.3128 5.3128 5.4834 5.4834 5.6091 5.6091 5.9715 5.9715 6.0572 6.0572 6.1484 6.1484 6.2372 6.2372 6.3886 6.3886 6.6449 6.6449 6.6879 6.6879 6.7893 6.7893 6.9139 6.9139 7.0327 7.0327 7.0770 7.0770 7.1718 7.1718 7.4947 7.4947 7.7150 7.7150 7.9994 7.9994 8.6322 8.6322 9.8088 9.8088 11.2603 11.2603 12.0031 12.0031 12.6813 12.6813 12.7387 12.7387 15.4343 15.4343 15.5872 15.5872 k = 0.2692-0.0000 0.3225 ( 3736 PWs) bands (ev): -5.0819 -5.0819 -3.9120 -3.9120 3.6522 3.6522 4.1934 4.1934 4.6039 4.6039 4.8179 4.8179 5.2447 5.2447 5.3186 5.3186 5.3272 5.3272 5.4709 5.4709 5.5898 5.5898 5.9861 5.9861 6.0602 6.0602 6.1597 6.1597 6.2561 6.2561 6.3941 6.3941 6.6362 6.6362 6.6811 6.6811 6.7840 6.7840 6.9180 6.9180 7.0232 7.0232 7.0796 7.0796 7.1664 7.1664 7.4595 7.4595 7.6747 7.6747 7.9769 7.9769 8.6454 8.6454 9.7977 9.7977 11.2563 11.2563 11.8894 11.8894 12.7136 12.7136 12.8116 12.8116 15.5039 15.5039 15.7014 15.7014 k = 0.2821-0.0000 0.3225 ( 3738 PWs) bands (ev): -5.0522 -5.0522 -3.9337 -3.9337 3.6443 3.6443 4.1744 4.1744 4.6180 4.6180 4.8206 4.8206 5.2503 5.2503 5.3181 5.3181 5.3504 5.3504 5.4740 5.4740 5.5743 5.5743 5.9971 5.9971 6.0665 6.0665 6.1714 6.1714 6.2749 6.2749 6.4004 6.4004 6.6265 6.6265 6.6739 6.6739 6.7779 6.7779 6.9223 6.9223 7.0056 7.0056 7.0892 7.0892 7.1612 7.1612 7.4254 7.4254 7.6346 7.6346 7.9535 7.9535 8.6595 8.6595 9.7853 9.7853 11.2502 11.2502 11.7775 11.7775 12.7466 12.7466 12.8919 12.8919 15.5624 15.5624 15.8136 15.8136 k = 0.2949-0.0000 0.3225 ( 3750 PWs) bands (ev): -5.0214 -5.0214 -3.9566 -3.9566 3.6373 3.6373 4.1540 4.1540 4.6328 4.6328 4.8237 4.8237 5.2426 5.2426 5.3165 5.3165 5.3743 5.3743 5.4870 5.4870 5.5663 5.5663 6.0032 6.0032 6.0773 6.0773 6.1835 6.1835 6.2934 6.2934 6.4076 6.4076 6.6162 6.6162 6.6664 6.6664 6.7709 6.7709 6.9267 6.9267 6.9848 6.9848 7.1001 7.1001 7.1566 7.1566 7.3926 7.3926 7.5950 7.5950 7.9293 7.9293 8.6747 8.6747 9.7710 9.7710 11.2421 11.2421 11.6702 11.6702 12.7813 12.7813 12.9768 12.9768 15.6084 15.6084 15.7066 15.7066 k = 0.3077-0.0000 0.3225 ( 3752 PWs) bands (ev): -4.9898 -4.9898 -3.9806 -3.9806 3.6314 3.6314 4.1324 4.1324 4.6484 4.6484 4.8272 4.8272 5.2228 5.2228 5.3166 5.3166 5.3988 5.3988 5.5001 5.5001 5.5718 5.5718 6.0047 6.0047 6.0923 6.0923 6.1958 6.1958 6.3113 6.3113 6.4156 6.4156 6.6059 6.6059 6.6589 6.6589 6.7633 6.7633 6.9307 6.9307 6.9624 6.9624 7.1084 7.1084 7.1546 7.1546 7.3613 7.3613 7.5563 7.5563 7.9045 7.9045 8.6910 8.6910 9.7543 9.7543 11.2321 11.2321 11.5691 11.5691 12.8180 12.8180 13.0652 13.0652 15.5335 15.5335 15.6929 15.6929 k = 0.3205-0.0000 0.3225 ( 3760 PWs) bands (ev): -4.9573 -4.9573 -4.0057 -4.0057 3.6268 3.6268 4.1096 4.1096 4.6646 4.6646 4.8310 4.8310 5.1970 5.1970 5.3142 5.3142 5.4235 5.4235 5.5091 5.5091 5.5931 5.5931 6.0027 6.0027 6.1101 6.1101 6.2082 6.2082 6.3280 6.3280 6.4247 6.4247 6.5960 6.5960 6.6514 6.6514 6.7550 6.7550 6.9330 6.9330 6.9401 6.9401 7.1102 7.1102 7.1580 7.1580 7.3320 7.3320 7.5186 7.5186 7.8790 7.8790 8.7086 8.7086 9.7347 9.7347 11.2200 11.2200 11.4756 11.4756 12.8573 12.8573 13.1567 13.1567 15.3949 15.3949 15.7463 15.7463 k = 0.3333-0.0000 0.3225 ( 3760 PWs) bands (ev): -4.9241 -4.9241 -4.0320 -4.0320 3.6236 3.6236 4.0857 4.0857 4.6815 4.6815 4.8353 4.8353 5.1692 5.1692 5.3063 5.3063 5.4484 5.4484 5.5185 5.5185 5.6245 5.6245 5.9985 5.9985 6.1294 6.1294 6.2209 6.2209 6.3433 6.3433 6.4347 6.4347 6.5874 6.5874 6.6443 6.6443 6.7459 6.7459 6.9139 6.9139 6.9375 6.9375 7.1045 7.1045 7.1668 7.1668 7.3059 7.3059 7.4826 7.4826 7.8530 7.8530 8.7276 8.7276 9.7117 9.7117 11.2058 11.2058 11.3907 11.3907 12.8992 12.8992 13.2509 13.2509 15.2557 15.2557 15.8039 15.8039 k = 0.3462-0.0000 0.3225 ( 3760 PWs) bands (ev): -4.8901 -4.8901 -4.0593 -4.0593 3.6220 3.6220 4.0608 4.0608 4.6990 4.6990 4.8400 4.8400 5.1413 5.1413 5.2925 5.2925 5.4732 5.4732 5.5316 5.5316 5.6607 5.6607 5.9927 5.9927 6.1493 6.1493 6.2336 6.2336 6.3565 6.3565 6.4456 6.4456 6.5806 6.5806 6.6377 6.6377 6.7363 6.7363 6.8893 6.8893 6.9386 6.9386 7.0936 7.0936 7.1765 7.1765 7.2847 7.2847 7.4485 7.4485 7.8265 7.8265 8.7482 8.7482 9.6850 9.6850 11.1892 11.1892 11.3156 11.3156 12.9441 12.9441 13.3476 13.3476 15.1191 15.1191 15.8606 15.8606 k = 0.3590-0.0000 0.3225 ( 3764 PWs) bands (ev): -4.8555 -4.8555 -4.0876 -4.0876 3.6221 3.6221 4.0351 4.0351 4.7171 4.7171 4.8451 4.8451 5.1142 5.1142 5.2741 5.2741 5.4977 5.4977 5.5484 5.5484 5.6989 5.6989 5.9856 5.9856 6.1691 6.1691 6.2464 6.2464 6.3675 6.3675 6.4572 6.4572 6.5762 6.5762 6.6320 6.6320 6.7261 6.7261 6.8642 6.8642 6.9379 6.9379 7.0790 7.0790 7.1828 7.1828 7.2714 7.2714 7.4168 7.4168 7.7996 7.7996 8.7704 8.7704 9.6543 9.6543 11.1693 11.1693 11.2517 11.2517 12.9921 12.9921 13.4467 13.4467 14.9857 14.9857 15.9015 15.9015 k = 0.3718-0.0000 0.3225 ( 3768 PWs) bands (ev): -4.8203 -4.8203 -4.1170 -4.1170 3.6241 3.6241 4.0086 4.0086 4.7357 4.7357 4.8509 4.8509 5.0883 5.0883 5.2523 5.2523 5.5218 5.5218 5.5680 5.5680 5.7376 5.7376 5.9776 5.9776 6.1885 6.1885 6.2595 6.2595 6.3761 6.3761 6.4690 6.4690 6.5741 6.5741 6.6280 6.6280 6.7154 6.7154 6.8390 6.8390 6.9346 6.9346 7.0613 7.0613 7.1822 7.1822 7.2689 7.2689 7.3881 7.3881 7.7724 7.7724 8.7945 8.7945 9.6195 9.6195 11.1438 11.1438 11.2018 11.2018 13.0434 13.0434 13.5482 13.5482 14.8558 14.8558 15.8671 15.8671 k = 0.3846-0.0000 0.3225 ( 3760 PWs) bands (ev): -4.7847 -4.7847 -4.1473 -4.1473 3.6279 3.6279 3.9816 3.9816 4.7547 4.7547 4.8574 4.8574 5.0640 5.0640 5.2283 5.2283 5.5455 5.5455 5.5893 5.5893 5.7755 5.7755 5.9691 5.9691 6.2070 6.2070 6.2729 6.2729 6.3828 6.3828 6.4810 6.4810 6.5736 6.5736 6.6264 6.6264 6.7046 6.7046 6.8140 6.8140 6.9282 6.9282 7.0411 7.0411 7.1763 7.1763 7.2747 7.2747 7.3639 7.3639 7.7449 7.7449 8.8205 8.8205 9.5809 9.5809 11.1117 11.1117 11.1669 11.1669 13.0982 13.0982 13.6519 13.6519 14.7294 14.7294 15.7761 15.7761 k = 0.3974-0.0000 0.3225 ( 3764 PWs) bands (ev): -4.7486 -4.7486 -4.1785 -4.1785 3.6337 3.6337 3.9543 3.9543 4.7740 4.7740 4.8647 4.8647 5.0410 5.0410 5.2029 5.2029 5.5686 5.5686 5.6113 5.6113 5.8112 5.8112 5.9601 5.9601 6.2243 6.2243 6.2868 6.2868 6.3882 6.3882 6.4927 6.4927 6.5730 6.5730 6.6279 6.6279 6.6939 6.6939 6.7899 6.7899 6.9179 6.9179 7.0189 7.0189 7.1692 7.1692 7.2814 7.2814 7.3475 7.3475 7.7172 7.7172 8.8485 8.8485 9.5388 9.5388 11.0786 11.0786 11.1416 11.1416 13.1564 13.1564 13.7578 13.7578 14.6068 14.6068 15.6677 15.6677 k = 0.4103-0.0000 0.3225 ( 3770 PWs) bands (ev): -4.7121 -4.7121 -4.2106 -4.2106 3.6415 3.6415 3.9269 3.9269 4.7933 4.7933 4.8731 4.8731 5.0196 5.0196 5.1766 5.1766 5.5909 5.5909 5.6330 5.6330 5.8436 5.8436 5.9511 5.9511 6.2408 6.2408 6.3010 6.3010 6.3934 6.3934 6.5038 6.5038 6.5715 6.5715 6.6319 6.6319 6.6841 6.6841 6.7680 6.7680 6.9033 6.9033 6.9956 6.9956 7.1636 7.1636 7.2795 7.2795 7.3454 7.3454 7.6894 7.6894 8.8786 8.8786 9.4938 9.4938 11.0500 11.0500 11.1200 11.1200 13.2183 13.2183 13.8657 13.8657 14.4881 14.4881 15.5509 15.5509 k = 0.4231-0.0000 0.3225 ( 3782 PWs) bands (ev): -4.6754 -4.6754 -4.2435 -4.2435 3.6513 3.6513 3.8996 3.8996 4.8122 4.8122 4.8830 4.8830 4.9998 4.9998 5.1499 5.1499 5.6123 5.6123 5.6536 5.6536 5.8712 5.8712 5.9423 5.9423 6.2570 6.2570 6.3151 6.3151 6.3992 6.3992 6.5139 6.5139 6.5687 6.5687 6.6350 6.6350 6.6760 6.6760 6.7507 6.7507 6.8847 6.8847 6.9720 6.9720 7.1605 7.1605 7.2679 7.2679 7.3573 7.3573 7.6616 7.6616 8.9110 8.9110 9.4464 9.4464 11.0277 11.0277 11.1001 11.1001 13.2839 13.2839 13.9752 13.9752 14.3736 14.3736 15.4296 15.4296 k = 0.4359-0.0000 0.3225 ( 3778 PWs) bands (ev): -4.6385 -4.6385 -4.2772 -4.2772 3.6631 3.6631 3.8727 3.8727 4.8303 4.8303 4.8949 4.8949 4.9815 4.9815 5.1231 5.1231 5.6327 5.6327 5.6722 5.6722 5.8931 5.8931 5.9344 5.9344 6.2736 6.2736 6.3283 6.3283 6.4067 6.4067 6.5221 6.5221 6.5650 6.5650 6.6327 6.6327 6.6711 6.6711 6.7417 6.7417 6.8631 6.8631 6.9486 6.9486 7.1601 7.1601 7.2530 7.2530 7.3762 7.3762 7.6338 7.6338 8.9456 8.9456 9.3975 9.3975 11.0118 11.0118 11.0812 11.0812 13.3532 13.3532 14.0842 14.0842 14.2656 14.2656 15.3058 15.3058 k = 0.4487-0.0000 0.3225 ( 3778 PWs) bands (ev): -4.6015 -4.6015 -4.3115 -4.3115 3.6768 3.6768 3.8462 3.8462 4.8472 4.8472 4.9090 4.9090 4.9647 4.9647 5.0963 5.0963 5.6517 5.6517 5.6878 5.6878 5.9087 5.9087 5.9279 5.9279 6.2909 6.2909 6.3396 6.3396 6.4165 6.4165 6.5273 6.5273 6.5603 6.5603 6.6229 6.6229 6.6702 6.6702 6.7426 6.7426 6.8404 6.8404 6.9253 6.9253 7.1621 7.1621 7.2381 7.2381 7.3980 7.3980 7.6061 7.6061 8.9825 8.9825 9.3477 9.3477 11.0018 11.0018 11.0635 11.0635 13.4263 13.4263 14.1349 14.1349 14.2216 14.2216 15.1808 15.1808 k = 0.4615-0.0000 0.3225 ( 3766 PWs) bands (ev): -4.5645 -4.5645 -4.3464 -4.3464 3.6925 3.6925 3.8205 3.8205 4.8626 4.8626 4.9243 4.9243 4.9507 4.9507 5.0698 5.0698 5.6689 5.6689 5.6995 5.6995 5.9179 5.9179 5.9236 5.9236 6.3085 6.3085 6.3480 6.3480 6.4292 6.4292 6.5276 6.5276 6.5559 6.5559 6.6080 6.6080 6.6748 6.6748 6.7486 6.7486 6.8204 6.8204 6.9022 6.9022 7.1663 7.1663 7.2240 7.2240 7.4216 7.4216 7.5786 7.5786 9.0217 9.0217 9.2977 9.2977 10.9972 10.9972 11.0470 11.0470 13.5033 13.5033 14.0430 14.0430 14.3261 14.3261 15.0555 15.0555 k = 0.4744-0.0000 0.3225 ( 3766 PWs) bands (ev): -4.5275 -4.5275 -4.3819 -4.3819 3.7099 3.7099 3.7958 3.7958 4.8768 4.8768 4.9281 4.9281 4.9517 4.9517 5.0437 5.0437 5.6838 5.6838 5.7063 5.7063 5.9203 5.9203 5.9231 5.9231 6.3250 6.3250 6.3525 6.3525 6.4449 6.4449 6.5194 6.5194 6.5551 6.5551 6.5921 6.5921 6.6852 6.6852 6.7492 6.7492 6.8112 6.8112 6.8793 6.8793 7.1723 7.1723 7.2111 7.2111 7.4463 7.4463 7.5513 7.5513 9.0632 9.0632 9.2482 9.2482 10.9973 10.9973 11.0322 11.0322 13.5840 13.5840 13.9446 13.9446 14.4427 14.4427 14.9306 14.9306 k = 0.4872-0.0000 0.3225 ( 3774 PWs) bands (ev): -4.4907 -4.4907 -4.4178 -4.4178 3.7291 3.7291 3.7722 3.7722 4.8902 4.8902 4.9164 4.9164 4.9710 4.9710 5.0183 5.0183 5.6958 5.6958 5.7077 5.7077 5.9206 5.9206 5.9234 5.9234 6.3387 6.3387 6.3527 6.3527 6.4634 6.4634 6.5034 6.5034 6.5592 6.5592 6.5780 6.5780 6.7003 6.7003 6.7368 6.7368 6.8188 6.8188 6.8570 6.8570 7.1799 7.1799 7.1993 7.1993 7.4717 7.4717 7.5243 7.5243 9.1068 9.1068 9.1995 9.1995 11.0014 11.0014 11.0193 11.0193 13.6685 13.6685 13.8490 13.8490 14.5622 14.5622 14.8065 14.8065 k = 0.5000-0.0000 0.3225 ( 3780 PWs) bands (ev): -4.4541 -4.4541 -4.4541 -4.4541 3.7499 3.7499 3.7499 3.7499 4.9033 4.9033 4.9033 4.9033 4.9939 4.9939 4.9939 4.9939 5.7040 5.7040 5.7040 5.7040 5.9220 5.9220 5.9220 5.9220 6.3481 6.3481 6.3481 6.3481 6.4836 6.4836 6.4836 6.4836 6.5669 6.5669 6.5669 6.5669 6.7185 6.7185 6.7185 6.7185 6.8361 6.8361 6.8361 6.8361 7.1889 7.1889 7.1889 7.1889 7.4978 7.4978 7.4978 7.4978 9.1523 9.1523 9.1523 9.1523 11.0089 11.0089 11.0089 11.0089 13.7569 13.7569 13.7569 13.7569 14.6836 14.6836 14.6836 14.6836 k = 0.5000-0.0000 0.3225 ( 3780 PWs) bands (ev): -4.4541 -4.4541 -4.4541 -4.4541 3.7499 3.7499 3.7499 3.7499 4.9033 4.9033 4.9033 4.9033 4.9939 4.9939 4.9939 4.9939 5.7040 5.7040 5.7040 5.7040 5.9220 5.9220 5.9220 5.9220 6.3481 6.3481 6.3481 6.3481 6.4836 6.4836 6.4836 6.4836 6.5669 6.5669 6.5669 6.5669 6.7185 6.7185 6.7185 6.7185 6.8361 6.8361 6.8361 6.8361 7.1889 7.1889 7.1889 7.1889 7.4978 7.4978 7.4978 7.4978 9.1523 9.1523 9.1523 9.1523 11.0089 11.0089 11.0089 11.0089 13.7569 13.7569 13.7569 13.7569 14.6836 14.6836 14.6836 14.6836 k = 0.5000 0.0127 0.3225 ( 3776 PWs) bands (ev): -4.4532 -4.4532 -4.4532 -4.4532 3.7481 3.7481 3.7503 3.7503 4.8955 4.8955 4.9034 4.9034 4.9910 4.9910 5.0001 5.0001 5.6991 5.6991 5.7038 5.7038 5.9190 5.9190 5.9254 5.9254 6.3396 6.3396 6.3495 6.3495 6.4765 6.4765 6.4893 6.4893 6.5675 6.5675 6.5677 6.5677 6.7147 6.7147 6.7248 6.7248 6.8365 6.8365 6.8387 6.8387 7.1887 7.1887 7.1890 7.1890 7.4944 7.4944 7.4948 7.4948 9.1585 9.1585 9.1650 9.1650 11.0075 11.0075 11.0132 11.0132 13.7594 13.7594 13.7610 13.7610 14.6710 14.6710 14.6787 14.6787 k = 0.5000 0.0254 0.3225 ( 3780 PWs) bands (ev): -4.4505 -4.4505 -4.4504 -4.4504 3.7448 3.7448 3.7491 3.7491 4.8818 4.8818 4.8947 4.8947 4.9922 4.9922 5.0076 5.0076 5.6895 5.6895 5.6982 5.6982 5.9159 5.9159 5.9293 5.9293 6.3248 6.3248 6.3437 6.3437 6.4685 6.4685 6.4923 6.4923 6.5693 6.5693 6.5700 6.5700 6.7142 6.7142 6.7327 6.7327 6.8396 6.8396 6.8448 6.8448 7.1883 7.1883 7.1890 7.1890 7.4853 7.4853 7.4859 7.4859 9.1831 9.1831 9.1959 9.1959 11.0092 11.0092 11.0206 11.0206 13.7684 13.7684 13.7717 13.7717 14.6419 14.6419 14.6565 14.6565 k = 0.5000 0.0381 0.3225 ( 3780 PWs) bands (ev): -4.4459 -4.4459 -4.4458 -4.4458 3.7398 3.7398 3.7463 3.7463 4.8638 4.8638 4.8784 4.8784 4.9962 4.9962 5.0147 5.0147 5.6758 5.6758 5.6874 5.6874 5.9123 5.9123 5.9340 5.9340 6.3055 6.3055 6.3319 6.3319 6.4593 6.4593 6.4910 6.4910 6.5727 6.5727 6.5741 6.5741 6.7176 6.7176 6.7412 6.7412 6.8450 6.8450 6.8549 6.8549 7.1879 7.1879 7.1888 7.1888 7.4718 7.4718 7.4725 7.4725 9.2244 9.2244 9.2431 9.2431 11.0139 11.0139 11.0310 11.0310 13.7835 13.7835 13.7890 13.7890 14.5981 14.5981 14.6182 14.6182 k = 0.5000 0.0508 0.3225 ( 3780 PWs) bands (ev): -4.4396 -4.4396 -4.4394 -4.4394 3.7332 3.7332 3.7419 3.7419 4.8422 4.8422 4.8561 4.8561 5.0011 5.0011 5.0205 5.0205 5.6586 5.6586 5.6717 5.6717 5.9076 5.9076 5.9390 5.9390 6.2831 6.2831 6.3160 6.3160 6.4486 6.4486 6.4849 6.4849 6.5775 6.5775 6.5794 6.5794 6.7248 6.7248 6.7500 6.7500 6.8525 6.8525 6.8687 6.8687 7.1875 7.1875 7.1885 7.1885 7.4558 7.4558 7.4565 7.4565 9.2796 9.2796 9.3040 9.3040 11.0219 11.0219 11.0448 11.0448 13.8043 13.8043 13.8126 13.8126 14.5425 14.5425 14.5661 14.5661 k = 0.5000 0.0636 0.3225 ( 3772 PWs) bands (ev): -4.4315 -4.4315 -4.4313 -4.4313 3.7247 3.7247 3.7358 3.7358 4.8174 4.8174 4.8288 4.8288 5.0056 5.0056 5.0245 5.0245 5.6386 5.6386 5.6517 5.6517 5.9013 5.9013 5.9441 5.9441 6.2590 6.2590 6.2980 6.2980 6.4364 6.4364 6.4747 6.4747 6.5830 6.5830 6.5855 6.5855 6.7352 6.7352 6.7588 6.7588 6.8620 6.8620 6.8863 6.8863 7.1872 7.1872 7.1881 7.1881 7.4391 7.4391 7.4398 7.4398 9.3458 9.3458 9.3754 9.3754 11.0333 11.0333 11.0621 11.0621 13.8297 13.8297 13.8422 13.8422 14.4786 14.4786 14.5029 14.5029 k = 0.5000 0.0763 0.3225 ( 3764 PWs) bands (ev): -4.4216 -4.4216 -4.4214 -4.4214 3.7142 3.7142 3.7276 3.7276 4.7892 4.7892 4.7969 4.7969 5.0087 5.0087 5.0262 5.0262 5.6163 5.6163 5.6279 5.6279 5.8935 5.8935 5.9489 5.9489 6.2346 6.2346 6.2793 6.2793 6.4234 6.4234 6.4616 6.4616 6.5886 6.5886 6.5916 6.5916 6.7483 6.7483 6.7678 6.7678 6.8734 6.8734 6.9070 6.9070 7.1871 7.1871 7.1878 7.1878 7.4233 7.4233 7.4241 7.4241 9.4197 9.4197 9.4543 9.4543 11.0484 11.0484 11.0831 11.0831 13.8575 13.8575 13.8766 13.8766 14.4106 14.4106 14.4322 14.4322 k = 0.5000 0.0890 0.3225 ( 3764 PWs) bands (ev): -4.4100 -4.4100 -4.4098 -4.4098 3.7014 3.7014 3.7172 3.7172 4.7577 4.7577 4.7606 4.7606 5.0100 5.0100 5.0253 5.0253 5.5926 5.5926 5.6015 5.6015 5.8840 5.8840 5.9531 5.9531 6.2111 6.2111 6.2610 6.2610 6.4098 6.4098 6.4464 6.4464 6.5936 6.5936 6.5972 6.5972 6.7631 6.7631 6.7770 6.7770 6.8868 6.8868 6.9305 6.9305 7.1872 7.1872 7.1879 7.1879 7.4097 7.4097 7.4106 7.4106 9.4984 9.4984 9.5374 9.5374 11.0677 11.0677 11.1083 11.1083 13.8837 13.8837 13.9135 13.9135 14.3451 14.3451 14.3588 14.3588 k = 0.5000 0.1017 0.3225 ( 3764 PWs) bands (ev): -4.3967 -4.3967 -4.3965 -4.3965 3.6859 3.6859 3.7043 3.7043 4.7199 4.7199 4.7226 4.7226 5.0092 5.0092 5.0217 5.0217 5.5680 5.5680 5.5733 5.5733 5.8734 5.8734 5.9563 5.9563 6.1896 6.1896 6.2441 6.2441 6.3963 6.3963 6.4302 6.4302 6.5979 6.5979 6.6022 6.6022 6.7788 6.7788 6.7864 6.7864 6.9024 6.9024 6.9561 6.9561 7.1877 7.1877 7.1883 7.1883 7.3989 7.3989 7.3999 7.3999 9.5788 9.5788 9.6219 9.6219 11.0916 11.0916 11.1380 11.1380 13.8995 13.8995 13.9468 13.9468 14.2907 14.2907 14.2926 14.2926 k = 0.5000 0.1144 0.3225 ( 3760 PWs) bands (ev): -4.3819 -4.3819 -4.3816 -4.3816 3.6674 3.6674 3.6883 3.6883 4.6753 4.6753 4.6842 4.6842 5.0062 5.0062 5.0153 5.0153 5.5432 5.5432 5.5445 5.5445 5.8621 5.8621 5.9583 5.9583 6.1711 6.1711 6.2288 6.2288 6.3833 6.3833 6.4135 6.4135 6.6016 6.6016 6.6065 6.6065 6.7945 6.7945 6.7962 6.7962 6.9204 6.9204 6.9834 6.9834 7.1886 7.1886 7.1895 7.1895 7.3914 7.3914 7.3925 7.3925 9.6584 9.6584 9.7051 9.7051 11.1207 11.1207 11.1727 11.1727 13.8915 13.8915 13.9614 13.9614 14.2448 14.2448 14.2682 14.2682 k = 0.5000 0.1271 0.3225 ( 3756 PWs) bands (ev): -4.3654 -4.3654 -4.3651 -4.3651 3.6454 3.6454 3.6689 3.6689 4.6273 4.6273 4.6427 4.6427 5.0007 5.0007 5.0062 5.0062 5.5160 5.5160 5.5188 5.5188 5.8509 5.8509 5.9587 5.9587 6.1563 6.1563 6.2151 6.2151 6.3713 6.3713 6.3968 6.3968 6.6048 6.6048 6.6103 6.6103 6.8062 6.8062 6.8097 6.8097 6.9408 6.9408 7.0119 7.0119 7.1903 7.1903 7.1917 7.1917 7.3873 7.3873 7.3883 7.3883 9.7349 9.7349 9.7845 9.7845 11.1554 11.1554 11.2126 11.2126 13.8517 13.8517 13.9365 13.9365 14.2437 14.2437 14.2812 14.2812 k = 0.5000 0.1398 0.3225 ( 3748 PWs) bands (ev): -4.3475 -4.3475 -4.3472 -4.3472 3.6194 3.6194 3.6453 3.6453 4.5766 4.5766 4.5985 4.5985 4.9929 4.9929 4.9946 4.9946 5.4889 5.4889 5.4955 5.4955 5.8402 5.8402 5.9575 5.9575 6.1454 6.1454 6.2029 6.2029 6.3607 6.3607 6.3804 6.3804 6.6075 6.6075 6.6136 6.6136 6.8163 6.8163 6.8241 6.8241 6.9635 6.9635 7.0411 7.0411 7.1928 7.1928 7.1949 7.1949 7.3867 7.3867 7.3872 7.3872 9.8062 9.8062 9.8581 9.8581 11.1962 11.1962 11.2582 11.2582 13.7872 13.7872 13.8749 13.8749 14.2854 14.2854 14.3256 14.3256 k = 0.5000 0.1525 0.3225 ( 3748 PWs) bands (ev): -4.3282 -4.3282 -4.3278 -4.3278 3.5888 3.5888 3.6170 3.6170 4.5243 4.5243 4.5525 4.5525 4.9805 4.9805 4.9828 4.9828 5.4635 5.4635 5.4734 5.4734 5.8307 5.8307 5.9545 5.9545 6.1384 6.1384 6.1918 6.1918 6.3516 6.3516 6.3646 6.3646 6.6098 6.6098 6.6165 6.6165 6.8264 6.8264 6.8374 6.8374 6.9880 6.9880 7.0702 7.0702 7.1967 7.1967 7.1994 7.1994 7.3891 7.3891 7.3895 7.3895 9.8706 9.8706 9.9237 9.9237 11.2435 11.2435 11.3096 11.3096 13.7093 13.7093 13.7959 13.7959 14.3517 14.3517 14.3908 14.3908 k = 0.5000 0.1652 0.3225 ( 3752 PWs) bands (ev): -4.3075 -4.3075 -4.3071 -4.3071 3.5530 3.5530 3.5831 3.5831 4.4720 4.4720 4.5057 4.5057 4.9645 4.9645 4.9706 4.9706 5.4405 5.4405 5.4531 5.4531 5.8225 5.8225 5.9500 5.9500 6.1351 6.1351 6.1814 6.1814 6.3442 6.3442 6.3497 6.3497 6.6118 6.6118 6.6193 6.6193 6.8364 6.8364 6.8497 6.8497 7.0140 7.0140 7.0982 7.0982 7.2024 7.2024 7.2053 7.2053 7.3937 7.3937 7.3956 7.3956 9.9267 9.9267 9.9801 9.9801 11.2974 11.2974 11.3669 11.3669 13.6259 13.6259 13.7110 13.7110 14.4315 14.4315 14.4694 14.4694 k = 0.5000 0.1780 0.3225 ( 3756 PWs) bands (ev): -4.2855 -4.2855 -4.2851 -4.2851 3.5115 3.5115 3.5431 3.5431 4.4209 4.4209 4.4593 4.4593 4.9467 4.9467 4.9564 4.9564 5.4200 5.4200 5.4345 5.4345 5.8157 5.8157 5.9441 5.9441 6.1349 6.1349 6.1716 6.1716 6.3359 6.3359 6.3387 6.3387 6.6137 6.6137 6.6219 6.6219 6.8464 6.8464 6.8610 6.8610 7.0408 7.0408 7.1235 7.1235 7.2114 7.2114 7.2129 7.2129 7.4011 7.4011 7.4051 7.4051 9.9735 9.9735 10.0262 10.0262 11.3577 11.3577 11.4297 11.4297 13.5412 13.5412 13.6254 13.6254 14.5199 14.5199 14.5574 14.5574 k = 0.5000 0.1907 0.3225 ( 3768 PWs) bands (ev): -4.2625 -4.2625 -4.2620 -4.2620 3.4640 3.4640 3.4965 3.4965 4.3726 4.3726 4.4146 4.4146 4.9276 4.9276 4.9405 4.9405 5.4019 5.4019 5.4178 5.4178 5.8103 5.8103 5.9370 5.9370 6.1374 6.1374 6.1622 6.1622 6.3234 6.3234 6.3349 6.3349 6.6156 6.6156 6.6246 6.6246 6.8561 6.8561 6.8717 6.8717 7.0673 7.0673 7.1439 7.1439 7.2225 7.2225 7.2252 7.2252 7.4111 7.4111 7.4181 7.4181 10.0105 10.0105 10.0615 10.0615 11.4240 11.4240 11.4978 11.4978 13.4579 13.4579 13.5417 13.5417 14.6142 14.6142 14.6518 14.6518 k = 0.5000 0.2034 0.3225 ( 3748 PWs) bands (ev): -4.2383 -4.2383 -4.2379 -4.2379 3.4105 3.4105 3.4431 3.4431 4.3282 4.3282 4.3726 4.3726 4.9076 4.9076 4.9233 4.9233 5.3863 5.3863 5.4030 5.4030 5.8059 5.8059 5.9289 5.9289 6.1420 6.1420 6.1535 6.1535 6.3124 6.3124 6.3329 6.3329 6.6174 6.6174 6.6273 6.6273 6.8658 6.8658 6.8818 6.8818 7.0927 7.0927 7.1583 7.1583 7.2347 7.2347 7.2447 7.2447 7.4239 7.4239 7.4347 7.4347 10.0374 10.0374 10.0858 10.0858 11.4954 11.4954 11.5704 11.5704 13.3775 13.3775 13.4616 13.4616 14.7119 14.7119 14.7504 14.7504 k = 0.5000 0.2161 0.3225 ( 3756 PWs) bands (ev): -4.2133 -4.2133 -4.2129 -4.2129 3.3510 3.3510 3.3831 3.3831 4.2884 4.2884 4.3341 4.3341 4.8868 4.8868 4.9048 4.9048 5.3726 5.3726 5.3897 5.3897 5.8023 5.8023 5.9198 5.9198 6.1455 6.1455 6.1482 6.1482 6.3030 6.3030 6.3323 6.3323 6.6192 6.6192 6.6300 6.6300 6.8753 6.8753 6.8913 6.8913 7.1155 7.1155 7.1676 7.1676 7.2500 7.2500 7.2682 7.2682 7.4394 7.4394 7.4551 7.4551 10.0541 10.0541 10.0992 10.0992 11.5710 11.5710 11.6469 11.6469 13.3013 13.3013 13.3862 13.3862 14.8108 14.8108 14.8509 14.8509 k = 0.5000 0.2288 0.3225 ( 3760 PWs) bands (ev): -4.1875 -4.1875 -4.1870 -4.1870 3.2862 3.2862 3.3171 3.3171 4.2536 4.2536 4.2997 4.2997 4.8655 4.8655 4.8853 4.8853 5.3608 5.3608 5.3780 5.3780 5.7989 5.7989 5.9098 5.9098 6.1385 6.1385 6.1557 6.1557 6.2952 6.2952 6.3328 6.3328 6.6211 6.6211 6.6329 6.6329 6.8845 6.8845 6.9004 6.9004 7.1349 7.1349 7.1738 7.1738 7.2688 7.2688 7.2933 7.2933 7.4580 7.4580 7.4796 7.4796 10.0609 10.0609 10.1021 10.1021 11.6499 11.6499 11.7265 11.7265 13.2303 13.2303 13.3165 13.3165 14.9084 14.9084 14.9508 14.9508 k = 0.5000 0.2415 0.3225 ( 3764 PWs) bands (ev): -4.1610 -4.1610 -4.1606 -4.1606 3.2166 3.2166 3.2459 3.2459 4.2238 4.2238 4.2694 4.2694 4.8438 4.8438 4.8650 4.8650 5.3507 5.3507 5.3679 5.3679 5.7955 5.7955 5.8988 5.8988 6.1328 6.1328 6.1640 6.1640 6.2890 6.2890 6.3343 6.3343 6.6230 6.6230 6.6358 6.6358 6.8936 6.8936 6.9091 6.9091 7.1505 7.1505 7.1782 7.1782 7.2909 7.2909 7.3185 7.3185 7.4800 7.4800 7.5083 7.5083 10.0579 10.0579 10.0950 10.0950 11.7310 11.7310 11.8083 11.8083 13.1652 13.1652 13.2532 13.2532 15.0018 15.0018 15.0470 15.0470 k = 0.5000 0.2542 0.3225 ( 3760 PWs) bands (ev): -4.1341 -4.1341 -4.1336 -4.1336 3.1433 3.1433 3.1707 3.1707 4.1988 4.1988 4.2432 4.2432 4.8219 4.8219 4.8441 4.8441 5.3423 5.3423 5.3593 5.3593 5.7916 5.7916 5.8870 5.8870 6.1286 6.1286 6.1729 6.1729 6.2845 6.2845 6.3366 6.3366 6.6251 6.6251 6.6389 6.6389 6.9026 6.9026 6.9176 6.9176 7.1626 7.1626 7.1815 7.1815 7.3152 7.3152 7.3426 7.3426 7.5059 7.5059 7.5414 7.5414 10.0456 10.0456 10.0785 10.0785 11.8134 11.8134 11.8917 11.8917 13.1064 13.1064 13.1968 13.1968 15.0880 15.0880 15.1364 15.1364 k = 0.5000 0.2669 0.3225 ( 3752 PWs) bands (ev): -4.1067 -4.1067 -4.1063 -4.1063 3.0674 3.0674 3.0926 3.0926 4.1780 4.1780 4.2208 4.2208 4.8000 4.8000 4.8229 4.8229 5.3352 5.3352 5.3519 5.3519 5.7871 5.7871 5.8744 5.8744 6.1260 6.1260 6.1822 6.1822 6.2816 6.2816 6.3395 6.3395 6.6273 6.6273 6.6420 6.6420 6.9114 6.9114 6.9258 6.9258 7.1719 7.1719 7.1842 7.1842 7.3403 7.3403 7.3653 7.3653 7.5362 7.5362 7.5787 7.5787 10.0246 10.0246 10.0531 10.0531 11.8961 11.8961 11.9759 11.9759 13.0545 13.0545 13.1479 13.1479 15.1635 15.1635 15.2154 15.2154 k = 0.5000 0.2796 0.3225 ( 3756 PWs) bands (ev): -4.0793 -4.0793 -4.0788 -4.0788 2.9898 2.9898 3.0128 3.0128 4.1610 4.1610 4.2019 4.2019 4.7782 4.7782 4.8014 4.8014 5.3294 5.3294 5.3458 5.3458 5.7816 5.7816 5.8610 5.8610 6.1250 6.1250 6.1914 6.1914 6.2801 6.2801 6.3426 6.3426 6.6296 6.6296 6.6450 6.6450 6.9200 6.9200 6.9337 6.9337 7.1791 7.1791 7.1863 7.1863 7.3650 7.3650 7.3864 7.3864 7.5711 7.5711 7.6198 7.6198 9.9951 9.9951 10.0194 10.0194 11.9785 11.9785 12.0603 12.0603 13.0096 13.0096 13.1068 13.1068 15.2251 15.2251 15.2807 15.2807 k = 0.5000 0.2924 0.3225 ( 3756 PWs) bands (ev): -4.0518 -4.0518 -4.0513 -4.0513 2.9116 2.9116 2.9324 2.9324 4.1472 4.1472 4.1861 4.1861 4.7567 4.7567 4.7798 4.7798 5.3248 5.3248 5.3408 5.3408 5.7751 5.7751 5.8471 5.8471 6.1258 6.1258 6.2003 6.2003 6.2801 6.2801 6.3460 6.3460 6.6320 6.6320 6.6481 6.6481 6.9284 6.9284 6.9414 6.9414 7.1847 7.1847 7.1881 7.1881 7.3884 7.3884 7.4062 7.4062 7.6109 7.6109 7.6646 7.6646 9.9579 9.9579 9.9780 9.9780 12.0597 12.0597 12.1442 12.1442 12.9722 12.9722 13.0737 13.0737 15.2704 15.2704 15.3293 15.3293 k = 0.5000 0.3051 0.3225 ( 3744 PWs) bands (ev): -4.0245 -4.0245 -4.0240 -4.0240 2.8337 2.8337 2.8525 2.8525 4.1362 4.1362 4.1730 4.1730 4.7355 4.7355 4.7585 4.7585 5.3212 5.3212 5.3369 5.3369 5.7677 5.7677 5.8328 5.8328 6.1282 6.1282 6.2086 6.2086 6.2816 6.2816 6.3495 6.3495 6.6346 6.6346 6.6511 6.6511 6.9367 6.9367 6.9490 6.9490 7.1892 7.1892 7.1897 7.1897 7.4102 7.4102 7.4246 7.4246 7.6554 7.6554 7.7126 7.7126 9.9135 9.9135 9.9295 9.9295 12.1389 12.1389 12.2269 12.2269 12.9422 12.9422 13.0488 13.0488 15.2977 15.2977 15.3593 15.3593 k = 0.5000 0.3178 0.3225 ( 3744 PWs) bands (ev): -3.9976 -3.9976 -3.9972 -3.9972 2.7571 2.7571 2.7740 2.7740 4.1276 4.1276 4.1623 4.1623 4.7148 4.7148 4.7373 4.7373 5.3186 5.3186 5.3340 5.3340 5.7594 5.7594 5.8182 5.8182 6.1319 6.1319 6.2160 6.2160 6.2844 6.2844 6.3528 6.3528 6.6372 6.6372 6.6540 6.6540 6.9448 6.9448 6.9562 6.9562 7.1911 7.1911 7.1927 7.1927 7.4302 7.4302 7.4418 7.4418 7.7043 7.7043 7.7637 7.7637 9.8626 9.8626 9.8747 9.8747 12.2154 12.2154 12.3076 12.3076 12.9201 12.9201 13.0323 13.0323 15.3067 15.3067 15.3701 15.3701 k = 0.5000 0.3305 0.3225 ( 3740 PWs) bands (ev): -3.9713 -3.9713 -3.9709 -3.9709 2.6826 2.6826 2.6976 2.6976 4.1210 4.1210 4.1535 4.1535 4.6948 4.6948 4.7167 4.7167 5.3170 5.3170 5.3319 5.3319 5.7505 5.7505 5.8035 5.8035 6.1368 6.1368 6.2223 6.2223 6.2884 6.2884 6.3561 6.3561 6.6399 6.6399 6.6567 6.6567 6.9526 6.9526 6.9632 6.9632 7.1922 7.1922 7.1954 7.1954 7.4484 7.4484 7.4578 7.4578 7.7572 7.7572 7.8176 7.8176 9.8058 9.8058 9.8142 9.8142 12.2882 12.2882 12.3850 12.3850 12.9063 12.9063 13.0244 13.0244 15.2984 15.2984 15.3626 15.3626 k = 0.5000 0.3432 0.3225 ( 3744 PWs) bands (ev): -3.9458 -3.9458 -3.9454 -3.9454 2.6108 2.6108 2.6242 2.6242 4.1160 4.1160 4.1465 4.1465 4.6755 4.6755 4.6966 4.6966 5.3161 5.3161 5.3305 5.3305 5.7411 5.7411 5.7888 5.7888 6.1426 6.1426 6.2274 6.2274 6.2936 6.2936 6.3592 6.3592 6.6425 6.6425 6.6592 6.6592 6.9601 6.9601 6.9698 6.9698 7.1932 7.1932 7.1975 7.1975 7.4651 7.4651 7.4727 7.4727 7.8138 7.8138 7.8741 7.8741 9.7438 9.7438 9.7487 9.7487 12.3564 12.3564 12.4575 12.4575 12.9015 12.9015 13.0252 13.0252 15.2747 15.2747 15.3387 15.3387 k = 0.5000 0.3559 0.3225 ( 3740 PWs) bands (ev): -3.9213 -3.9213 -3.9209 -3.9209 2.5425 2.5425 2.5543 2.5543 4.1126 4.1126 4.1409 4.1409 4.6571 4.6571 4.6773 4.6773 5.3160 5.3160 5.3298 5.3298 5.7315 5.7315 5.7744 5.7744 6.1492 6.1492 6.2314 6.2314 6.2996 6.2996 6.3619 6.3619 6.6453 6.6453 6.6616 6.6616 6.9673 6.9673 6.9761 6.9761 7.1940 7.1940 7.1992 7.1992 7.4802 7.4802 7.4865 7.4865 7.8736 7.8736 7.9331 7.9331 9.6774 9.6774 9.6788 9.6788 12.4189 12.4189 12.5229 12.5229 12.9073 12.9073 13.0348 13.0348 15.2383 15.2383 15.3011 15.3011 k = 0.5000 0.3686 0.3225 ( 3744 PWs) bands (ev): -3.8980 -3.8980 -3.8976 -3.8976 2.4783 2.4783 2.4887 2.4887 4.1104 4.1104 4.1365 4.1365 4.6398 4.6398 4.6588 4.6588 5.3164 5.3164 5.3296 5.3296 5.7218 5.7218 5.7602 5.7602 6.1562 6.1562 6.2343 6.2343 6.3061 6.3061 6.3643 6.3643 6.6479 6.6479 6.6636 6.6636 6.9741 6.9741 6.9820 6.9820 7.1948 7.1948 7.2003 7.2003 7.4940 7.4940 7.4991 7.4991 7.9363 7.9363 7.9944 7.9944 9.6054 9.6054 9.6072 9.6072 12.4749 12.4749 12.5786 12.5786 12.9251 12.9251 13.0531 13.0531 15.1918 15.1918 15.2526 15.2526 k = 0.5000 0.3813 0.3225 ( 3752 PWs) bands (ev): -3.8761 -3.8761 -3.8758 -3.8758 2.4186 2.4186 2.4276 2.4276 4.1092 4.1092 4.1330 4.1330 4.6237 4.6237 4.6414 4.6414 5.3174 5.3174 5.3299 5.3299 5.7124 5.7124 5.7466 5.7466 6.1635 6.1635 6.2362 6.2362 6.3129 6.3129 6.3663 6.3663 6.6506 6.6506 6.6654 6.6654 6.9805 6.9805 6.9875 6.9875 7.1954 7.1954 7.2012 7.2012 7.5064 7.5064 7.5106 7.5106 8.0016 8.0016 8.0577 8.0577 9.5291 9.5291 9.5340 9.5340 12.5238 12.5238 12.6226 12.6226 12.9559 12.9559 13.0794 13.0794 15.1381 15.1381 15.1963 15.1963 k = 0.5000 0.3940 0.3225 ( 3752 PWs) bands (ev): -3.8559 -3.8559 -3.8556 -3.8556 2.3639 2.3639 2.3718 2.3718 4.1089 4.1089 4.1304 4.1304 4.6089 4.6089 4.6252 4.6252 5.3189 5.3189 5.3305 5.3305 5.7035 5.7035 5.7337 5.7337 6.1709 6.1709 6.2373 6.2373 6.3197 6.3197 6.3679 6.3679 6.6532 6.6532 6.6669 6.6669 6.9864 6.9864 6.9925 6.9925 7.1960 7.1960 7.2017 7.2017 7.5175 7.5175 7.5210 7.5210 8.0692 8.0692 8.1230 8.1230 9.4506 9.4506 9.4584 9.4584 12.5655 12.5655 12.6548 12.6548 12.9985 12.9985 13.1127 13.1127 15.0799 15.0799 15.1349 15.1349 k = 0.5000 0.4068 0.3225 ( 3752 PWs) bands (ev): -3.8375 -3.8375 -3.8373 -3.8373 2.3148 2.3148 2.3214 2.3214 4.1092 4.1092 4.1284 4.1284 4.5956 4.5956 4.6103 4.6103 5.3207 5.3207 5.3313 5.3313 5.6952 5.6952 5.7217 5.7217 6.1783 6.1783 6.2377 6.2377 6.3264 6.3264 6.3690 6.3690 6.6557 6.6557 6.6682 6.6682 6.9918 6.9918 6.9971 6.9971 7.1965 7.1965 7.2020 7.2020 7.5273 7.5273 7.5303 7.5303 8.1387 8.1387 8.1897 8.1897 9.3707 9.3707 9.3813 9.3813 12.6003 12.6003 12.6772 12.6772 13.0495 13.0495 13.1511 13.1511 15.0199 15.0199 15.0710 15.0710 k = 0.5000 0.4195 0.3225 ( 3744 PWs) bands (ev): -3.8212 -3.8212 -3.8209 -3.8209 2.2715 2.2715 2.2771 2.2771 4.1101 4.1101 4.1268 4.1268 4.5838 4.5838 4.5969 4.5969 5.3227 5.3227 5.3322 5.3322 5.6879 5.6879 5.7106 5.7106 6.1856 6.1856 6.2374 6.2374 6.3329 6.3329 6.3696 6.3696 6.6581 6.6581 6.6692 6.6692 6.9967 6.9967 7.0011 7.0011 7.1970 7.1970 7.2020 7.2020 7.5359 7.5359 7.5383 7.5383 8.2095 8.2095 8.2576 8.2576 9.2904 9.2904 9.3036 9.3036 12.6290 12.6290 12.6927 12.6927 13.1046 13.1046 13.1921 13.1921 14.9607 14.9607 15.0071 15.0071 k = 0.5000 0.4322 0.3225 ( 3744 PWs) bands (ev): -3.8070 -3.8070 -3.8068 -3.8068 2.2343 2.2343 2.2389 2.2389 4.1114 4.1114 4.1255 4.1255 4.5739 4.5739 4.5850 4.5850 5.3248 5.3248 5.3330 5.3330 5.6816 5.6816 5.7006 5.7006 6.1927 6.1927 6.2363 6.2363 6.3389 6.3389 6.3697 6.3697 6.6604 6.6604 6.6698 6.6698 7.0009 7.0009 7.0046 7.0046 7.1975 7.1975 7.2019 7.2019 7.5432 7.5432 7.5451 7.5451 8.2811 8.2811 8.3256 8.3256 9.2107 9.2107 9.2260 9.2260 12.6523 12.6523 12.7033 12.7033 13.1599 13.1599 13.2329 13.2329 14.9047 14.9047 14.9458 14.9458 k = 0.5000 0.4449 0.3225 ( 3740 PWs) bands (ev): -3.7952 -3.7952 -3.7950 -3.7950 2.2036 2.2036 2.2072 2.2072 4.1130 4.1130 4.1244 4.1244 4.5657 4.5657 4.5748 4.5748 5.3269 5.3269 5.3337 5.3337 5.6766 5.6766 5.6918 5.6918 6.1993 6.1993 6.2346 6.2346 6.3445 6.3445 6.3692 6.3692 6.6624 6.6624 6.6701 6.6701 7.0046 7.0046 7.0074 7.0074 7.1980 7.1980 7.2017 7.2017 7.5491 7.5491 7.5507 7.5507 8.3523 8.3523 8.3928 8.3928 9.1332 9.1332 9.1502 9.1502 12.6712 12.6712 12.7103 12.7103 13.2120 13.2120 13.2707 13.2707 14.8547 14.8547 14.8895 14.8895 k = 0.5000 0.4576 0.3225 ( 3740 PWs) bands (ev): -3.7858 -3.7858 -3.7857 -3.7857 2.1795 2.1795 2.1822 2.1822 4.1147 4.1147 4.1233 4.1233 4.5596 4.5596 4.5665 4.5665 5.3289 5.3289 5.3341 5.3341 5.6730 5.6730 5.6844 5.6844 6.2056 6.2056 6.2323 6.2323 6.3496 6.3496 6.3681 6.3681 6.6643 6.6643 6.6702 6.6702 7.0075 7.0075 7.0096 7.0096 7.1985 7.1985 7.2013 7.2013 7.5538 7.5538 7.5550 7.5550 8.4213 8.4213 8.4566 8.4566 9.0603 9.0603 9.0780 9.0780 12.6862 12.6862 12.7145 12.7145 13.2581 13.2581 13.3025 13.3025 14.8133 14.8133 14.8407 14.8407 k = 0.5000 0.4703 0.3225 ( 3744 PWs) bands (ev): -3.7791 -3.7791 -3.7790 -3.7790 2.1623 2.1623 2.1641 2.1641 4.1164 4.1164 4.1222 4.1222 4.5554 4.5554 4.5601 4.5601 5.3306 5.3306 5.3342 5.3342 5.6708 5.6708 5.6785 5.6785 6.2114 6.2114 6.2293 6.2293 6.3541 6.3541 6.3665 6.3665 6.6659 6.6659 6.6699 6.6699 7.0097 7.0097 7.0111 7.0111 7.1990 7.1990 7.2009 7.2009 7.5572 7.5572 7.5580 7.5580 8.4846 8.4846 8.5124 8.5124 8.9970 8.9970 9.0131 9.0131 12.6978 12.6978 12.7162 12.7162 13.2955 13.2955 13.3254 13.3254 14.7830 14.7830 14.8020 14.8020 k = 0.5000 0.4830 0.3225 ( 3744 PWs) bands (ev): -3.7750 -3.7750 -3.7749 -3.7749 2.1522 2.1522 2.1530 2.1530 4.1180 4.1180 4.1209 4.1209 4.5534 4.5534 4.5558 4.5558 5.3321 5.3321 5.3339 5.3339 5.6703 5.6703 5.6741 5.6741 6.2167 6.2167 6.2257 6.2257 6.3581 6.3581 6.3643 6.3643 6.6673 6.6673 6.6693 6.6693 7.0111 7.0111 7.0118 7.0118 7.1995 7.1995 7.2005 7.2005 7.5593 7.5593 7.5597 7.5597 8.5350 8.5350 8.5514 8.5514 8.9524 8.9524 8.9629 8.9629 12.7064 12.7064 12.7154 12.7154 13.3221 13.3221 13.3371 13.3371 14.7659 14.7659 14.7757 14.7757 k = 0.5000 0.4957 0.3225 ( 3744 PWs) bands (ev): -3.7736 -3.7736 -3.7736 -3.7736 2.1490 2.1490 2.1490 2.1490 4.1195 4.1195 4.1195 4.1195 4.5535 4.5535 4.5535 4.5535 5.3332 5.3332 5.3332 5.3332 5.6714 5.6714 5.6714 5.6714 6.2215 6.2215 6.2215 6.2215 6.3615 6.3615 6.3615 6.3615 6.6685 6.6685 6.6685 6.6685 7.0118 7.0118 7.0118 7.0118 7.2000 7.2000 7.2000 7.2000 7.5602 7.5602 7.5602 7.5602 8.5606 8.5606 8.5606 8.5606 8.9393 8.9393 8.9393 8.9393 12.7122 12.7122 12.7122 12.7122 13.3362 13.3362 13.3362 13.3362 14.7634 14.7634 14.7634 14.7634 k = 0.5000 0.4957 0.3225 ( 3744 PWs) bands (ev): -3.7736 -3.7736 -3.7736 -3.7736 2.1490 2.1490 2.1490 2.1490 4.1195 4.1195 4.1195 4.1195 4.5535 4.5535 4.5535 4.5535 5.3332 5.3332 5.3332 5.3332 5.6714 5.6714 5.6714 5.6714 6.2215 6.2215 6.2215 6.2215 6.3615 6.3615 6.3615 6.3615 6.6685 6.6685 6.6685 6.6685 7.0118 7.0118 7.0118 7.0118 7.2000 7.2000 7.2000 7.2000 7.5602 7.5602 7.5602 7.5602 8.5606 8.5606 8.5606 8.5606 8.9393 8.9393 8.9393 8.9393 12.7122 12.7122 12.7122 12.7122 13.3362 13.3362 13.3362 13.3362 14.7634 14.7634 14.7634 14.7634 k = 0.4872 0.4957 0.3225 ( 3748 PWs) bands (ev): -3.7741 -3.7741 -3.7740 -3.7740 2.1490 2.1490 2.1504 2.1504 4.1174 4.1174 4.1212 4.1212 4.5533 4.5533 4.5547 4.5547 5.3323 5.3323 5.3340 5.3340 5.6712 5.6712 5.6721 5.6721 6.2183 6.2183 6.2230 6.2230 6.3615 6.3615 6.3615 6.3615 6.6674 6.6674 6.6694 6.6694 7.0060 7.0060 7.0179 7.0179 7.1955 7.1955 7.2041 7.2041 7.5582 7.5582 7.5632 7.5632 8.5420 8.5420 8.5661 8.5661 8.9358 8.9358 8.9620 8.9620 12.7101 12.7101 12.7133 12.7133 13.3259 13.3259 13.3284 13.3284 14.7696 14.7696 14.7775 14.7775 k = 0.4744 0.4957 0.3225 ( 3752 PWs) bands (ev): -3.7756 -3.7756 -3.7754 -3.7754 2.1503 2.1503 2.1531 2.1531 4.1149 4.1149 4.1223 4.1223 4.5539 4.5539 4.5568 4.5568 5.3313 5.3313 5.3347 5.3347 5.6714 5.6714 5.6732 5.6732 6.2135 6.2135 6.2229 6.2229 6.3615 6.3615 6.3615 6.3615 6.6661 6.6661 6.6702 6.6702 7.0004 7.0004 7.0240 7.0240 7.1907 7.1907 7.2079 7.2079 7.5574 7.5574 7.5673 7.5673 8.5147 8.5147 8.5577 8.5577 8.9525 8.9525 8.9996 8.9996 12.7071 12.7071 12.7135 12.7135 13.2987 13.2987 13.3032 13.3032 14.7956 14.7956 14.8107 14.8107 k = 0.4615 0.4957 0.3225 ( 3748 PWs) bands (ev): -3.7779 -3.7779 -3.7777 -3.7777 2.1529 2.1529 2.1570 2.1570 4.1119 4.1119 4.1229 4.1229 4.5555 4.5555 4.5597 4.5597 5.3304 5.3304 5.3353 5.3353 5.6720 5.6720 5.6749 5.6749 6.2070 6.2070 6.2213 6.2213 6.3615 6.3615 6.3616 6.3616 6.6647 6.6647 6.6711 6.6711 6.9952 6.9952 7.0302 7.0302 7.1858 7.1858 7.2114 7.2114 7.5578 7.5578 7.5723 7.5723 8.4832 8.4832 8.5385 8.5385 8.9860 8.9860 9.0476 9.0476 12.7031 12.7031 12.7129 12.7129 13.2572 13.2572 13.2623 13.2623 14.8394 14.8394 14.8606 14.8606 k = 0.4487 0.4957 0.3225 ( 3744 PWs) bands (ev): -3.7812 -3.7812 -3.7808 -3.7808 2.1568 2.1568 2.1622 2.1622 4.1087 4.1087 4.1232 4.1232 4.5580 4.5580 4.5634 4.5634 5.3294 5.3294 5.3359 5.3359 5.6729 5.6729 5.6770 5.6770 6.1988 6.1988 6.2183 6.2183 6.3615 6.3615 6.3616 6.3616 6.6632 6.6632 6.6719 6.6719 6.9904 6.9904 7.0364 7.0364 7.1808 7.1808 7.2144 7.2144 7.5593 7.5593 7.5779 7.5779 8.4507 8.4507 8.5132 8.5132 9.0315 9.0315 9.1028 9.1028 12.6980 12.6980 12.7116 12.7116 13.2042 13.2042 13.2085 13.2085 14.8983 14.8983 14.9241 14.9241 k = 0.4359 0.4957 0.3225 ( 3740 PWs) bands (ev): -3.7854 -3.7854 -3.7849 -3.7849 2.1618 2.1618 2.1686 2.1686 4.1052 4.1052 4.1230 4.1230 4.5613 4.5613 4.5679 4.5679 5.3284 5.3284 5.3364 5.3364 5.6742 5.6742 5.6796 5.6796 6.1890 6.1890 6.2139 6.2139 6.3614 6.3614 6.3616 6.3616 6.6614 6.6614 6.6728 6.6728 6.9863 6.9863 7.0424 7.0424 7.1757 7.1757 7.2172 7.2172 7.5618 7.5618 7.5839 7.5839 8.4193 8.4193 8.4859 8.4859 9.0850 9.0850 9.1630 9.1630 12.6918 12.6918 12.7097 12.7097 13.1430 13.1430 13.1448 13.1448 14.9690 14.9690 14.9980 14.9980 k = 0.4231 0.4957 0.3225 ( 3736 PWs) bands (ev): -3.7904 -3.7904 -3.7898 -3.7898 2.1679 2.1679 2.1760 2.1760 4.1018 4.1018 4.1227 4.1227 4.5654 4.5654 4.5730 4.5730 5.3275 5.3275 5.3368 5.3368 5.6757 5.6757 5.6827 5.6827 6.1776 6.1776 6.2083 6.2083 6.3612 6.3612 6.3615 6.3615 6.6594 6.6594 6.6737 6.6737 6.9828 6.9828 7.0483 7.0483 7.1707 7.1707 7.2196 7.2196 7.5650 7.5650 7.5899 7.5899 8.3905 8.3905 8.4590 8.4590 9.1438 9.1438 9.2267 9.2267 12.6842 12.6842 12.7072 12.7072 13.0742 13.0742 13.0765 13.0765 15.0485 15.0485 15.0793 15.0793 k = 0.4103 0.4957 0.3225 ( 3732 PWs) bands (ev): -3.7961 -3.7961 -3.7955 -3.7955 2.1751 2.1751 2.1843 2.1843 4.0983 4.0983 4.1222 4.1222 4.5702 4.5702 4.5788 4.5788 5.3266 5.3266 5.3372 5.3372 5.6774 5.6774 5.6863 5.6863 6.1649 6.1649 6.2016 6.2016 6.3608 6.3608 6.3613 6.3613 6.6572 6.6572 6.6747 6.6747 6.9800 6.9800 7.0541 7.0541 7.1659 7.1659 7.2217 7.2217 7.5689 7.5689 7.5957 7.5957 8.3654 8.3654 8.4343 8.4343 9.2060 9.2060 9.2928 9.2928 12.6744 12.6744 12.7036 12.7036 12.9994 12.9994 13.0078 13.0078 15.1342 15.1342 15.1654 15.1654 k = 0.3974 0.4957 0.3225 ( 3732 PWs) bands (ev): -3.8027 -3.8027 -3.8020 -3.8020 2.1830 2.1830 2.1935 2.1935 4.0952 4.0952 4.1217 4.1217 4.5756 4.5756 4.5850 4.5850 5.3259 5.3259 5.3376 5.3376 5.6791 5.6791 5.6901 5.6901 6.1507 6.1507 6.1937 6.1937 6.3601 6.3601 6.3609 6.3609 6.6548 6.6548 6.6757 6.6757 6.9780 6.9780 7.0596 7.0596 7.1613 7.1613 7.2235 7.2235 7.5730 7.5730 7.6009 7.6009 8.3446 8.3446 8.4129 8.4129 9.2704 9.2704 9.3604 9.3604 12.6612 12.6612 12.6977 12.6977 12.9238 12.9238 12.9401 12.9401 15.2236 15.2236 15.2539 15.2539 k = 0.3846 0.4957 0.3225 ( 3736 PWs) bands (ev): -3.8100 -3.8100 -3.8092 -3.8092 2.1917 2.1917 2.2033 2.2033 4.0923 4.0923 4.1213 4.1213 4.5816 4.5816 4.5916 4.5916 5.3253 5.3253 5.3379 5.3379 5.6809 5.6809 5.6943 5.6943 6.1355 6.1355 6.1850 6.1850 6.3591 6.3591 6.3603 6.3603 6.6521 6.6521 6.6767 6.6767 6.9768 6.9768 7.0649 7.0649 7.1571 7.1571 7.2250 7.2250 7.5772 7.5772 7.6052 7.6052 8.3287 8.3287 8.3955 8.3955 9.3358 9.3358 9.4287 9.4287 12.6414 12.6414 12.6854 12.6854 12.8534 12.8534 12.8782 12.8782 15.3143 15.3143 15.3425 15.3425 k = 0.3718 0.4957 0.3225 ( 3736 PWs) bands (ev): -3.8179 -3.8179 -3.8170 -3.8170 2.2011 2.2011 2.2137 2.2137 4.0901 4.0901 4.1213 4.1213 4.5881 4.5881 4.5986 4.5986 5.3249 5.3249 5.3383 5.3383 5.6826 5.6826 5.6986 5.6986 6.1193 6.1193 6.1756 6.1756 6.3577 6.3577 6.3596 6.3596 6.6493 6.6493 6.6778 6.6778 6.9765 6.9765 7.0700 7.0700 7.1534 7.1534 7.2263 7.2263 7.5812 7.5812 7.6081 7.6081 8.3182 8.3182 8.3827 8.3827 9.4015 9.4015 9.4971 9.4971 12.6103 12.6103 12.6560 12.6560 12.8004 12.8004 12.8283 12.8283 15.4040 15.4040 15.4287 15.4287 k = 0.3590 0.4957 0.3225 ( 3744 PWs) bands (ev): -3.8263 -3.8263 -3.8255 -3.8255 2.2109 2.2109 2.2245 2.2245 4.0884 4.0884 4.1215 4.1215 4.5949 4.5949 4.6059 4.6059 5.3246 5.3246 5.3387 5.3387 5.6841 5.6841 5.7029 5.7029 6.1026 6.1026 6.1656 6.1656 6.3560 6.3560 6.3586 6.3586 6.6463 6.6463 6.6788 6.6788 6.9772 6.9772 7.0749 7.0749 7.1500 7.1500 7.2274 7.2274 7.5847 7.5847 7.6097 7.6097 8.3134 8.3134 8.3749 8.3749 9.4667 9.4667 9.5649 9.5649 12.5641 12.5641 12.5998 12.5998 12.7756 12.7756 12.7953 12.7953 15.4901 15.4901 15.5102 15.5102 k = 0.3462 0.4957 0.3225 ( 3752 PWs) bands (ev): -3.8354 -3.8354 -3.8344 -3.8344 2.2209 2.2209 2.2355 2.2355 4.0875 4.0875 4.1223 4.1223 4.6021 4.6021 4.6134 4.6134 5.3245 5.3245 5.3392 5.3392 5.6852 5.6852 5.7072 5.7072 6.0855 6.0855 6.1553 6.1553 6.3538 6.3538 6.3575 6.3575 6.6431 6.6431 6.6797 6.6797 6.9787 6.9787 7.0796 7.0796 7.1472 7.1472 7.2284 7.2284 7.5874 7.5874 7.6095 7.6095 8.3145 8.3145 8.3723 8.3723 9.5305 9.5305 9.6313 9.6313 12.5044 12.5044 12.5259 12.5259 12.7714 12.7714 12.7789 12.7789 15.5698 15.5698 15.5842 15.5842 k = 0.3333 0.4957 0.3225 ( 3748 PWs) bands (ev): -3.8448 -3.8448 -3.8438 -3.8438 2.2312 2.2312 2.2466 2.2466 4.0875 4.0875 4.1238 4.1238 4.6097 4.6097 4.6212 4.6212 5.3246 5.3246 5.3397 5.3397 5.6860 5.6860 5.7112 5.7112 6.0686 6.0686 6.1450 6.1450 6.3513 6.3513 6.3562 6.3562 6.6397 6.6397 6.6806 6.6806 6.9811 6.9811 7.0843 7.0843 7.1450 7.1450 7.2292 7.2292 7.5893 7.5893 7.6077 7.6077 8.3214 8.3214 8.3753 8.3753 9.5924 9.5924 9.6957 9.6957 12.4363 12.4363 12.4450 12.4450 12.7749 12.7749 12.7779 12.7779 15.6400 15.6400 15.6478 15.6478 k = 0.3205 0.4957 0.3225 ( 3748 PWs) bands (ev): -3.8547 -3.8547 -3.8537 -3.8537 2.2415 2.2415 2.2576 2.2576 4.0885 4.0885 4.1259 4.1259 4.6176 4.6176 4.6291 4.6291 5.3249 5.3249 5.3404 5.3404 5.6862 5.6862 5.7147 5.7147 6.0522 6.0522 6.1349 6.1349 6.3483 6.3483 6.3547 6.3547 6.6361 6.6361 6.6812 6.6812 6.9844 6.9844 7.0887 7.0887 7.1434 7.1434 7.2298 7.2298 7.5900 7.5900 7.6042 7.6042 8.3342 8.3342 8.3839 8.3839 9.6514 9.6514 9.7575 9.7575 12.3617 12.3617 12.3640 12.3640 12.7802 12.7802 12.7918 12.7918 15.6973 15.6973 15.6982 15.6982 k = 0.3077 0.4957 0.3225 ( 3752 PWs) bands (ev): -3.8649 -3.8649 -3.8638 -3.8638 2.2516 2.2516 2.2683 2.2683 4.0904 4.0904 4.1287 4.1287 4.6256 4.6256 4.6372 4.6372 5.3253 5.3253 5.3410 5.3410 5.6857 5.6857 5.7173 5.7173 6.0368 6.0368 6.1253 6.1253 6.3449 6.3449 6.3530 6.3530 6.6322 6.6322 6.6816 6.6816 6.9885 6.9885 7.0929 7.0929 7.1423 7.1423 7.2303 7.2303 7.5896 7.5896 7.5993 7.5993 8.3524 8.3524 8.3980 8.3980 9.7070 9.7070 9.8158 9.8158 12.2777 12.2777 12.2898 12.2898 12.7932 12.7932 12.8121 12.8121 15.7327 15.7327 15.7384 15.7384 k = 0.2949 0.4957 0.3225 ( 3752 PWs) bands (ev): -3.8753 -3.8753 -3.8742 -3.8742 2.2616 2.2616 2.2788 2.2788 4.0935 4.0935 4.1324 4.1324 4.6337 4.6337 4.6453 4.6453 5.3259 5.3259 5.3417 5.3417 5.6844 5.6844 5.7188 5.7188 6.0231 6.0231 6.1166 6.1166 6.3411 6.3411 6.3513 6.3513 6.6281 6.6281 6.6817 6.6817 6.9933 6.9933 7.0970 7.0970 7.1419 7.1419 7.2308 7.2308 7.5881 7.5881 7.5932 7.5932 8.3759 8.3759 8.4175 8.4175 9.7585 9.7585 9.8701 9.8701 12.1940 12.1940 12.2151 12.2151 12.8133 12.8133 12.8387 12.8387 15.7493 15.7493 15.7607 15.7607 k = 0.2821 0.4957 0.3225 ( 3752 PWs) bands (ev): -3.8859 -3.8859 -3.8848 -3.8848 2.2712 2.2712 2.2887 2.2887 4.0975 4.0975 4.1368 4.1368 4.6421 4.6421 4.6535 4.6535 5.3267 5.3267 5.3424 5.3424 5.6821 5.6821 5.7187 5.7187 6.0116 6.0116 6.1089 6.1089 6.3370 6.3370 6.3495 6.3495 6.6237 6.6237 6.6815 6.6815 6.9988 6.9988 7.1008 7.1008 7.1422 7.1422 7.2312 7.2312 7.5856 7.5856 7.5861 7.5861 8.4044 8.4044 8.4422 8.4422 9.8053 9.8053 9.9198 9.9198 12.1110 12.1110 12.1407 12.1407 12.8407 12.8407 12.8719 12.8719 15.7472 15.7472 15.7628 15.7628 k = 0.2692 0.4957 0.3225 ( 3756 PWs) bands (ev): -3.8965 -3.8965 -3.8955 -3.8955 2.2803 2.2803 2.2981 2.2981 4.1027 4.1027 4.1419 4.1419 4.6505 4.6505 4.6617 4.6617 5.3276 5.3276 5.3431 5.3431 5.6788 5.6788 5.7167 5.7167 6.0029 6.0029 6.1028 6.1028 6.3324 6.3324 6.3476 6.3476 6.6190 6.6190 6.6808 6.6808 7.0047 7.0047 7.1042 7.1042 7.1433 7.1433 7.2316 7.2316 7.5783 7.5783 7.5821 7.5821 8.4374 8.4374 8.4719 8.4719 9.8469 9.8469 9.9643 9.9643 12.0290 12.0290 12.0667 12.0667 12.8754 12.8754 12.9122 12.9122 15.7265 15.7265 15.7447 15.7447 k = 0.2564 0.4957 0.3225 ( 3756 PWs) bands (ev): -3.9073 -3.9073 -3.9062 -3.9062 2.2889 2.2889 2.3068 2.3068 4.1088 4.1088 4.1478 4.1478 4.6590 4.6590 4.6700 4.6700 5.3284 5.3284 5.3437 5.3437 5.6744 5.6744 5.7125 5.7125 5.9974 5.9974 6.0981 6.0981 6.3276 6.3276 6.3459 6.3459 6.6138 6.6138 6.6797 6.6797 7.0111 7.0111 7.1070 7.1070 7.1453 7.1453 7.2320 7.2320 7.5700 7.5700 7.5778 7.5778 8.4746 8.4746 8.5063 8.5063 9.8828 9.8828 10.0033 10.0033 11.9480 11.9480 11.9935 11.9935 12.9177 12.9177 12.9599 12.9599 15.6890 15.6890 15.7079 15.7079 k = 0.2436 0.4957 0.3225 ( 3760 PWs) bands (ev): -3.9179 -3.9179 -3.9169 -3.9169 2.2970 2.2970 2.3148 2.3148 4.1159 4.1159 4.1544 4.1544 4.6676 4.6676 4.6782 4.6782 5.3292 5.3292 5.3441 5.3441 5.6688 5.6688 5.7061 5.7061 5.9953 5.9953 6.0952 6.0952 6.3224 6.3224 6.3443 6.3443 6.6083 6.6083 6.6781 6.6781 7.0179 7.0179 7.1093 7.1093 7.1481 7.1481 7.2324 7.2324 7.5614 7.5614 7.5729 7.5729 8.5158 8.5158 8.5452 8.5452 9.9130 9.9130 10.0365 10.0365 11.8681 11.8681 11.9210 11.9210 12.9680 12.9680 13.0153 13.0153 15.6370 15.6370 15.6551 15.6551 k = 0.2308 0.4957 0.3225 ( 3752 PWs) bands (ev): -3.9285 -3.9285 -3.9275 -3.9275 2.3044 2.3044 2.3220 2.3220 4.1238 4.1238 4.1616 4.1616 4.6762 4.6762 4.6865 4.6865 5.3300 5.3300 5.3445 5.3445 5.6622 5.6622 5.6976 5.6976 5.9967 5.9967 6.0942 6.0942 6.3171 6.3171 6.3430 6.3430 6.6023 6.6023 6.6760 6.6760 7.0249 7.0249 7.1111 7.1111 7.1520 7.1520 7.2329 7.2329 7.5527 7.5527 7.5674 7.5674 8.5605 8.5605 8.5883 8.5883 9.9371 9.9371 10.0638 10.0638 11.7894 11.7894 11.8493 11.8493 13.0262 13.0262 13.0786 13.0786 15.5735 15.5735 15.5895 15.5895 k = 0.2179 0.4957 0.3225 ( 3752 PWs) bands (ev): -3.9389 -3.9389 -3.9379 -3.9379 2.3111 2.3111 2.3284 2.3284 4.1325 4.1325 4.1693 4.1693 4.6849 4.6849 4.6948 4.6948 5.3306 5.3306 5.3445 5.3445 5.6547 5.6547 5.6874 5.6874 6.0014 6.0014 6.0949 6.0949 6.3116 6.3116 6.3419 6.3419 6.5958 6.5958 6.6733 6.6733 7.0319 7.0319 7.1122 7.1122 7.1565 7.1565 7.2334 7.2334 7.5441 7.5441 7.5616 7.5616 8.6085 8.6085 8.6351 8.6351 9.9553 9.9553 10.0851 10.0851 11.7118 11.7118 11.7783 11.7783 13.0925 13.0925 13.1498 13.1498 15.5014 15.5014 15.5145 15.5145 k = 0.2051 0.4957 0.3225 ( 3748 PWs) bands (ev): -3.9491 -3.9491 -3.9481 -3.9481 2.3172 2.3172 2.3341 2.3341 4.1418 4.1418 4.1773 4.1773 4.6936 4.6936 4.7030 4.7030 5.3311 5.3311 5.3443 5.3443 5.6463 5.6463 5.6759 5.6759 6.0091 6.0091 6.0974 6.0974 6.3060 6.3060 6.3414 6.3414 6.5888 6.5888 6.6699 6.6699 7.0389 7.0389 7.1129 7.1129 7.1617 7.1617 7.2341 7.2341 7.5358 7.5358 7.5555 7.5555 8.6594 8.6594 8.6855 8.6855 9.9678 9.9678 10.1006 10.1006 11.6353 11.6353 11.7079 11.7079 13.1666 13.1666 13.2288 13.2288 15.4237 15.4237 15.4330 15.4330 k = 0.1923 0.4957 0.3225 ( 3752 PWs) bands (ev): -3.9589 -3.9589 -3.9580 -3.9580 2.3226 2.3226 2.3390 2.3390 4.1515 4.1515 4.1855 4.1855 4.7022 4.7022 4.7112 4.7112 5.3313 5.3313 5.3437 5.3437 5.6375 5.6375 5.6636 5.6636 6.0193 6.0193 6.1013 6.1013 6.3003 6.3003 6.3414 6.3414 6.5811 6.5811 6.6658 6.6658 7.0458 7.0458 7.1133 7.1133 7.1674 7.1674 7.2348 7.2348 7.5277 7.5277 7.5492 7.5492 8.7131 8.7131 8.7392 8.7392 9.9748 9.9748 10.1106 10.1106 11.5598 11.5598 11.6379 11.6379 13.2482 13.2482 13.3154 13.3154 15.3430 15.3430 15.3479 15.3479 k = 0.1795 0.4957 0.3225 ( 3752 PWs) bands (ev): -3.9684 -3.9684 -3.9675 -3.9675 2.3274 2.3274 2.3431 2.3431 4.1615 4.1615 4.1939 4.1939 4.7108 4.7108 4.7193 4.7193 5.3312 5.3312 5.3427 5.3427 5.6283 5.6283 5.6509 5.6509 6.0318 6.0318 6.1066 6.1066 6.2947 6.2947 6.3422 6.3422 6.5729 6.5729 6.6611 6.6611 7.0524 7.0524 7.1134 7.1134 7.1734 7.1734 7.2357 7.2357 7.5201 7.5201 7.5428 7.5428 8.7691 8.7691 8.7958 8.7958 9.9767 9.9767 10.1154 10.1154 11.4855 11.4855 11.5684 11.5684 13.3369 13.3369 13.4091 13.4091 15.2615 15.2615 15.2616 15.2616 k = 0.1667 0.4957 0.3225 ( 3756 PWs) bands (ev): -3.9775 -3.9775 -3.9766 -3.9766 2.3316 2.3316 2.3465 2.3465 4.1716 4.1716 4.2022 4.2022 4.7192 4.7192 4.7272 4.7272 5.3307 5.3307 5.3413 5.3413 5.6190 5.6190 5.6384 5.6384 6.0461 6.0461 6.1128 6.1128 6.2892 6.2892 6.3438 6.3438 6.5640 6.5640 6.6555 6.6555 7.0587 7.0587 7.1132 7.1132 7.1796 7.1796 7.2367 7.2367 7.5129 7.5129 7.5365 7.5365 8.8272 8.8272 8.8551 8.8551 9.9742 9.9742 10.1155 10.1155 11.4124 11.4124 11.4993 11.4993 13.4321 13.4321 13.5095 13.5095 15.1758 15.1758 15.1816 15.1816 k = 0.1538 0.4957 0.3225 ( 3760 PWs) bands (ev): -3.9862 -3.9862 -3.9853 -3.9853 2.3352 2.3352 2.3493 2.3493 4.1818 4.1818 4.2103 4.2103 4.7276 4.7276 4.7350 4.7350 5.3298 5.3298 5.3394 5.3394 5.6099 5.6099 5.6263 5.6263 6.0618 6.0618 6.1198 6.1198 6.2839 6.2839 6.3464 6.3464 6.5546 6.5546 6.6491 6.6491 7.0646 7.0646 7.1128 7.1128 7.1859 7.1859 7.2378 7.2378 7.5063 7.5063 7.5302 7.5302 8.8871 8.8871 8.9168 8.9168 9.9676 9.9676 10.1114 10.1114 11.3405 11.3405 11.4307 11.4307 13.5329 13.5329 13.6158 13.6158 15.0924 15.0924 15.1047 15.1047 k = 0.1410 0.4957 0.3225 ( 3760 PWs) bands (ev): -3.9943 -3.9943 -3.9935 -3.9935 2.3383 2.3383 2.3515 2.3515 4.1918 4.1918 4.2182 4.2182 4.7357 4.7357 4.7426 4.7426 5.3286 5.3286 5.3370 5.3370 5.6011 5.6011 5.6148 5.6148 6.0786 6.0786 6.1272 6.1272 6.2790 6.2790 6.3501 6.3501 6.5446 6.5446 6.6420 6.6420 7.0701 7.0701 7.1124 7.1124 7.1922 7.1922 7.2390 7.2390 7.5003 7.5003 7.5241 7.5241 8.9484 8.9484 8.9804 8.9804 9.9575 9.9575 10.1036 10.1036 11.2702 11.2702 11.3627 11.3627 13.6384 13.6384 13.7272 13.7272 15.0131 15.0131 15.0327 15.0327 k = 0.1282 0.4957 0.3225 ( 3764 PWs) bands (ev): -4.0018 -4.0018 -4.0011 -4.0011 2.3409 2.3409 2.3531 2.3531 4.2015 4.2015 4.2257 4.2257 4.7436 4.7436 4.7499 4.7499 5.3269 5.3269 5.3343 5.3343 5.5928 5.5928 5.6042 5.6042 6.0961 6.0961 6.1347 6.1347 6.2746 6.2746 6.3548 6.3548 6.5340 6.5340 6.6339 6.6339 7.0751 7.0751 7.1118 7.1118 7.1985 7.1985 7.2402 7.2402 7.4948 7.4948 7.5182 7.5182 9.0107 9.0107 9.0455 9.0455 9.9445 9.9445 10.0923 10.0923 11.2018 11.2018 11.2956 11.2956 13.7471 13.7471 13.8426 13.8426 14.9391 14.9391 14.9671 14.9671 k = 0.1154 0.4957 0.3225 ( 3764 PWs) bands (ev): -4.0088 -4.0088 -4.0081 -4.0081 2.3431 2.3431 2.3543 2.3543 4.2107 4.2107 4.2326 4.2326 4.7512 4.7512 4.7569 4.7569 5.3250 5.3250 5.3312 5.3312 5.5852 5.5852 5.5947 5.5947 6.1138 6.1138 6.1421 6.1421 6.2711 6.2711 6.3605 6.3605 6.5232 6.5232 6.6251 6.6251 7.0797 7.0797 7.1112 7.1112 7.2045 7.2045 7.2415 7.2415 7.4901 7.4901 7.5125 7.5125 9.0735 9.0735 9.1118 9.1118 9.9290 9.9290 10.0781 10.0781 11.1359 11.1359 11.2297 11.2297 13.8574 13.8574 13.9603 13.9603 14.8719 14.8719 14.9097 14.9097 k = 0.1026 0.4957 0.3225 ( 3772 PWs) bands (ev): -4.0151 -4.0151 -4.0145 -4.0145 2.3450 2.3450 2.3550 2.3550 4.2194 4.2194 4.2389 4.2389 4.7583 4.7583 4.7634 4.7634 5.3227 5.3227 5.3278 5.3278 5.5785 5.5785 5.5863 5.5863 6.1312 6.1312 6.1490 6.1490 6.2686 6.2686 6.3669 6.3669 6.5124 6.5124 6.6154 6.6154 7.0837 7.0837 7.1105 7.1105 7.2103 7.2103 7.2427 7.2427 7.4860 7.4860 7.5071 7.5071 9.1363 9.1363 9.1786 9.1786 9.9116 9.9116 10.0610 10.0610 11.0732 11.0732 11.1655 11.1655 13.9668 13.9668 14.0782 14.0782 14.8137 14.8137 14.8627 14.8627 k = 0.0897 0.4957 0.3225 ( 3772 PWs) bands (ev): -4.0208 -4.0208 -4.0203 -4.0203 2.3466 2.3466 2.3554 2.3554 4.2274 4.2274 4.2446 4.2446 4.7650 4.7650 4.7695 4.7695 5.3202 5.3202 5.3244 5.3244 5.5725 5.5725 5.5789 5.5789 6.1475 6.1475 6.1555 6.1555 6.2679 6.2679 6.3736 6.3736 6.5020 6.5020 6.6049 6.6049 7.0873 7.0873 7.1097 7.1097 7.2159 7.2159 7.2438 7.2438 7.4826 7.4826 7.5020 7.5020 9.1985 9.1985 9.2452 9.2452 9.8926 9.8926 10.0411 10.0411 11.0146 11.0146 11.1037 11.1037 14.0718 14.0718 14.1921 14.1921 14.7675 14.7675 14.8288 14.8288 k = 0.0769 0.4957 0.3225 ( 3764 PWs) bands (ev): -4.0258 -4.0258 -4.0253 -4.0253 2.3480 2.3480 2.3556 2.3556 4.2347 4.2347 4.2494 4.2494 4.7711 4.7711 4.7749 4.7749 5.3177 5.3177 5.3210 5.3210 5.5675 5.5675 5.5727 5.5727 6.1615 6.1615 6.1619 6.1619 6.2696 6.2696 6.3794 6.3794 6.4929 6.4929 6.5936 6.5936 7.0905 7.0905 7.1090 7.1090 7.2211 7.2211 7.2447 7.2447 7.4800 7.4800 7.4973 7.4973 9.2594 9.2594 9.3106 9.3106 9.8728 9.8728 10.0185 10.0185 10.9613 10.9613 11.0451 11.0451 14.1675 14.1675 14.2947 14.2947 14.7394 14.7394 14.8118 14.8118 k = 0.0641 0.4957 0.3225 ( 3760 PWs) bands (ev): -4.0300 -4.0300 -4.0296 -4.0296 2.3491 2.3491 2.3556 2.3556 4.2412 4.2412 4.2534 4.2534 4.7765 4.7765 4.7797 4.7797 5.3153 5.3153 5.3178 5.3178 5.5634 5.5634 5.5676 5.5676 6.1668 6.1668 6.1733 6.1733 6.2746 6.2746 6.3831 6.3831 6.4865 6.4865 6.5816 6.5816 7.0933 7.0933 7.1081 7.1081 7.2258 7.2258 7.2454 7.2454 7.4780 7.4780 7.4930 7.4930 9.3181 9.3181 9.3734 9.3734 9.8528 9.8528 9.9929 9.9929 10.9146 10.9146 10.9907 10.9907 14.2477 14.2477 14.3734 14.3734 14.7400 14.7400 14.8158 14.8158 k = 0.0513 0.4957 0.3225 ( 3768 PWs) bands (ev): -4.0335 -4.0335 -4.0332 -4.0332 2.3501 2.3501 2.3553 2.3553 4.2467 4.2467 4.2565 4.2565 4.7810 4.7810 4.7837 4.7837 5.3131 5.3131 5.3148 5.3148 5.5601 5.5601 5.5633 5.5633 6.1715 6.1715 6.1811 6.1811 6.2831 6.2831 6.3827 6.3827 6.4841 6.4841 6.5689 6.5689 7.0957 7.0957 7.1072 7.1072 7.2301 7.2301 7.2456 7.2456 7.4767 7.4767 7.4891 7.4891 9.3737 9.3737 9.4314 9.4314 9.8340 9.8340 9.9643 9.9643 10.8759 10.8759 10.9416 10.9416 14.3075 14.3075 14.4158 14.4158 14.7782 14.7782 14.8428 14.8428 k = 0.0385 0.4957 0.3225 ( 3768 PWs) bands (ev): -4.0362 -4.0362 -4.0360 -4.0360 2.3510 2.3510 2.3549 2.3549 4.2514 4.2514 4.2587 4.2587 4.7848 4.7848 4.7868 4.7868 5.3112 5.3112 5.3124 5.3124 5.5577 5.5577 5.5600 5.5600 6.1758 6.1758 6.1854 6.1854 6.2951 6.2951 6.3776 6.3776 6.4868 6.4868 6.5558 6.5558 7.0978 7.0978 7.1062 7.1062 7.2339 7.2339 7.2455 7.2455 7.4761 7.4761 7.4856 7.4856 9.4248 9.4248 9.4812 9.4812 9.8188 9.8188 9.9329 9.9329 10.8466 10.8466 10.8991 10.8991 14.3470 14.3470 14.4268 14.4268 14.8441 14.8441 14.8879 14.8879 k = 0.0256 0.4957 0.3225 ( 3764 PWs) bands (ev): -4.0381 -4.0381 -4.0380 -4.0380 2.3518 2.3518 2.3544 2.3544 4.2551 4.2551 4.2600 4.2600 4.7876 4.7876 4.7890 4.7890 5.3098 5.3098 5.3105 5.3105 5.5561 5.5561 5.5576 5.5576 6.1795 6.1795 6.1870 6.1870 6.3094 6.3094 6.3679 6.3679 6.4938 6.4938 6.5424 6.5424 7.0997 7.0997 7.1052 7.1052 7.2372 7.2372 7.2449 7.2449 7.4761 7.4761 7.4826 7.4826 9.4697 9.4697 9.5175 9.5175 9.8116 9.8116 9.8995 9.8995 10.8279 10.8279 10.8646 10.8646 14.3715 14.3715 14.4220 14.4220 14.9143 14.9143 14.9387 14.9387 k = 0.0128 0.4957 0.3225 ( 3772 PWs) bands (ev): -4.0393 -4.0393 -4.0392 -4.0392 2.3525 2.3525 2.3538 2.3538 4.2578 4.2578 4.2602 4.2602 4.7895 4.7895 4.7901 4.7901 5.3090 5.3090 5.3093 5.3093 5.5553 5.5553 5.5560 5.5560 6.1826 6.1826 6.1866 6.1866 6.3248 6.3248 6.3551 6.3551 6.5040 6.5040 6.5290 6.5290 7.1013 7.1013 7.1040 7.1040 7.2400 7.2400 7.2438 7.2438 7.4768 7.4768 7.4801 7.4801 9.5059 9.5059 9.5342 9.5342 9.8171 9.8171 9.8661 9.8661 10.8203 10.8203 10.8392 10.8392 14.3876 14.3876 14.4118 14.4118 14.9678 14.9678 14.9781 14.9781 k = 0.0000 0.4957 0.3225 ( 3772 PWs) bands (ev): -4.0396 -4.0396 -4.0396 -4.0396 2.3532 2.3532 2.3532 2.3532 4.2595 4.2595 4.2595 4.2595 4.7904 4.7904 4.7904 4.7904 5.3088 5.3088 5.3088 5.3088 5.5552 5.5552 5.5552 5.5552 6.1850 6.1850 6.1850 6.1850 6.3404 6.3404 6.3404 6.3404 6.5160 6.5160 6.5160 6.5160 7.1027 7.1027 7.1027 7.1027 7.2421 7.2421 7.2421 7.2421 7.4782 7.4782 7.4782 7.4782 9.5292 9.5292 9.5292 9.5292 9.8367 9.8367 9.8367 9.8367 10.8242 10.8242 10.8242 10.8242 14.4003 14.4003 14.4003 14.4003 14.9905 14.9905 14.9905 14.9905 k = 0.0000 0.4957 0.3225 ( 3772 PWs) bands (ev): -4.0396 -4.0396 -4.0396 -4.0396 2.3532 2.3532 2.3532 2.3532 4.2595 4.2595 4.2595 4.2595 4.7904 4.7904 4.7904 4.7904 5.3088 5.3088 5.3088 5.3088 5.5552 5.5552 5.5552 5.5552 6.1850 6.1850 6.1850 6.1850 6.3404 6.3404 6.3404 6.3404 6.5160 6.5160 6.5160 6.5160 7.1027 7.1027 7.1027 7.1027 7.2421 7.2421 7.2421 7.2421 7.4782 7.4782 7.4782 7.4782 9.5292 9.5292 9.5292 9.5292 9.8367 9.8367 9.8367 9.8367 10.8242 10.8242 10.8242 10.8242 14.4003 14.4003 14.4003 14.4003 14.9905 14.9905 14.9905 14.9905 k = 0.0000 0.4830 0.3225 ( 3772 PWs) bands (ev): -4.0846 -4.0846 -3.9964 -3.9964 2.3186 2.3186 2.3938 2.3938 4.2476 4.2476 4.2725 4.2725 4.7733 4.7733 4.8087 4.8087 5.3022 5.3022 5.3145 5.3145 5.5418 5.5418 5.5688 5.5688 6.1632 6.1632 6.2057 6.2057 6.3212 6.3212 6.3589 6.3589 6.5089 6.5089 6.5248 6.5248 7.0964 7.0964 7.1083 7.1083 7.2393 7.2393 7.2441 7.2441 7.4452 7.4452 7.5106 7.5106 9.5257 9.5257 9.5282 9.5282 9.7799 9.7799 9.8923 9.8923 10.7887 10.7887 10.8679 10.8679 14.3145 14.3145 14.4884 14.4884 14.9049 14.9049 15.0811 15.0811 k = 0.0000 0.4703 0.3225 ( 3780 PWs) bands (ev): -4.1310 -4.1310 -3.9551 -3.9551 2.2903 2.2903 2.4400 2.4400 4.2364 4.2364 4.2865 4.2865 4.7575 4.7575 4.8281 4.8281 5.2949 5.2949 5.3194 5.3194 5.5285 5.5285 5.5825 5.5825 6.1408 6.1408 6.2236 6.2236 6.3038 6.3038 6.3746 6.3746 6.5051 6.5051 6.5344 6.5344 7.0893 7.0893 7.1130 7.1130 7.2356 7.2356 7.2452 7.2452 7.4122 7.4122 7.5419 7.5419 9.5164 9.5164 9.5241 9.5241 9.7223 9.7223 9.9461 9.9461 10.7630 10.7630 10.9180 10.9180 14.2317 14.2317 14.5777 14.5777 14.8251 14.8251 15.1765 15.1765 k = 0.0000 0.4576 0.3225 ( 3780 PWs) bands (ev): -4.1788 -4.1788 -3.9159 -3.9159 2.2683 2.2683 2.4916 2.4916 4.2262 4.2262 4.3017 4.3017 4.7429 4.7429 4.8488 4.8488 5.2868 5.2868 5.3233 5.3233 5.5154 5.5154 5.5963 5.5963 6.1181 6.1181 6.2341 6.2341 6.2937 6.2937 6.3851 6.3851 6.5065 6.5065 6.5444 6.5444 7.0817 7.0817 7.1167 7.1167 7.2310 7.2310 7.2454 7.2454 7.3800 7.3800 7.5717 7.5717 9.4997 9.4997 9.5178 9.5178 9.6649 9.6649 9.9975 9.9975 10.7489 10.7489 10.9729 10.9729 14.1523 14.1523 14.6636 14.6636 14.7553 14.7553 15.2761 15.2761 k = 0.0000 0.4449 0.3225 ( 3768 PWs) bands (ev): -4.2277 -4.2277 -3.8789 -3.8789 2.2530 2.2530 2.5483 2.5483 4.2167 4.2167 4.3180 4.3180 4.7297 4.7297 4.8708 4.8708 5.2782 5.2782 5.3262 5.3262 5.5025 5.5025 5.6102 5.6102 6.0953 6.0953 6.2306 6.2306 6.2978 6.2978 6.3889 6.3889 6.5147 6.5147 6.5544 6.5544 7.0733 7.0733 7.1192 7.1192 7.2255 7.2255 7.2446 7.2446 7.3498 7.3498 7.5997 7.5997 9.4743 9.4743 9.5102 9.5102 9.6085 9.6085 10.0463 10.0463 10.7475 10.7475 11.0313 11.0313 14.0768 14.0768 14.6689 14.6689 14.7713 14.7713 15.3799 15.3799 k = 0.0000 0.4322 0.3225 ( 3756 PWs) bands (ev): -4.2774 -4.2774 -3.8444 -3.8444 2.2445 2.2445 2.6097 2.6097 4.2079 4.2079 4.3357 4.3357 4.7177 4.7177 4.8939 4.8939 5.2691 5.2691 5.3280 5.3280 5.4900 5.4900 5.6240 5.6240 6.0723 6.0723 6.2173 6.2173 6.3120 6.3120 6.3863 6.3863 6.5291 6.5291 6.5645 6.5645 7.0641 7.0641 7.1202 7.1202 7.2187 7.2187 7.2423 7.2423 7.3228 7.3228 7.6257 7.6257 9.4393 9.4393 9.5017 9.5017 9.5538 9.5538 10.0920 10.0920 10.7597 10.7597 11.0917 11.0917 14.0054 14.0054 14.6094 14.6094 14.8553 14.8553 15.4872 15.4872 k = 0.0000 0.4195 0.3225 ( 3750 PWs) bands (ev): -4.3279 -4.3279 -3.8123 -3.8123 2.2428 2.2428 2.6754 2.6754 4.1998 4.1998 4.3547 4.3547 4.7069 4.7069 4.9183 4.9183 5.2595 5.2595 5.3286 5.3286 5.4776 5.4776 5.6376 5.6376 6.0493 6.0493 6.2013 6.2013 6.3289 6.3289 6.3796 6.3796 6.5478 6.5478 6.5743 6.5743 7.0538 7.0538 7.1191 7.1191 7.2107 7.2107 7.2380 7.2380 7.3006 7.3006 7.6495 7.6495 9.3953 9.3953 9.4917 9.4917 9.5015 9.5015 10.1343 10.1343 10.7856 10.7856 11.1530 11.1530 13.9385 13.9385 14.5524 14.5524 14.9358 14.9358 15.5976 15.5976 k = 0.0000 0.4068 0.3225 ( 3750 PWs) bands (ev): -4.3788 -4.3788 -3.7829 -3.7829 2.2482 2.2482 2.7451 2.7451 4.1922 4.1922 4.3753 4.3753 4.6973 4.6973 4.9438 4.9438 5.2494 5.2494 5.3280 5.3280 5.4655 5.4655 5.6511 5.6511 6.0263 6.0263 6.1853 6.1853 6.3437 6.3437 6.3729 6.3729 6.5686 6.5686 6.5842 6.5842 7.0422 7.0422 7.1155 7.1155 7.2015 7.2015 7.2314 7.2314 7.2845 7.2845 7.6710 7.6710 9.3442 9.3442 9.4467 9.4467 9.4843 9.4843 10.1728 10.1728 10.8248 10.8248 11.2143 11.2143 13.8765 13.8765 14.5008 14.5008 15.0020 15.0020 15.6369 15.6369 k = 0.0000 0.3940 0.3225 ( 3758 PWs) bands (ev): -4.4299 -4.4299 -3.7561 -3.7561 2.2604 2.2604 2.8182 2.8182 4.1850 4.1850 4.3973 4.3973 4.6889 4.6889 4.9704 4.9704 5.2390 5.2390 5.3261 5.3261 5.4536 5.4536 5.6644 5.6644 6.0034 6.0034 6.1704 6.1704 6.3457 6.3457 6.3770 6.3770 6.5878 6.5878 6.5967 6.5967 7.0288 7.0288 7.1090 7.1090 7.1921 7.1921 7.2231 7.2231 7.2741 7.2741 7.6902 7.6902 9.2884 9.2884 9.3926 9.3926 9.4748 9.4748 10.2075 10.2075 10.8766 10.8766 11.2745 11.2745 13.8197 13.8197 14.4554 14.4554 15.0400 15.0400 15.6060 15.6060 k = 0.0000 0.3813 0.3225 ( 3758 PWs) bands (ev): -4.4811 -4.4811 -3.7320 -3.7320 2.2797 2.2797 2.8943 2.8943 4.1784 4.1784 4.4211 4.4211 4.6818 4.6818 4.9981 4.9981 5.2283 5.2283 5.3230 5.3230 5.4420 5.4420 5.6774 5.6774 5.9806 5.9806 6.1571 6.1571 6.3355 6.3355 6.3920 6.3920 6.5992 6.5992 6.6171 6.6171 7.0134 7.0134 7.1002 7.1002 7.1835 7.1835 7.2143 7.2143 7.2675 7.2675 7.7072 7.7072 9.2301 9.2301 9.3366 9.3366 9.4653 9.4653 10.2380 10.2380 10.9400 10.9400 11.3329 11.3329 13.7685 13.7685 14.4162 14.4162 15.0367 15.0367 15.6135 15.6135 k = 0.0000 0.3686 0.3225 ( 3754 PWs) bands (ev): -4.5322 -4.5322 -3.7107 -3.7107 2.3059 2.3059 2.9729 2.9729 4.1721 4.1721 4.4468 4.4468 4.6758 4.6758 5.0269 5.0269 5.2175 5.2175 5.3187 5.3187 5.4305 5.4305 5.6901 5.6901 5.9582 5.9582 6.1456 6.1456 6.3221 6.3221 6.4088 6.4088 6.6080 6.6080 6.6399 6.6399 6.9959 6.9959 7.0901 7.0901 7.1763 7.1763 7.2054 7.2054 7.2629 7.2629 7.7220 7.7220 9.1706 9.1706 9.2786 9.2786 9.4556 9.4556 10.2643 10.2643 11.0139 11.0139 11.3886 11.3886 13.7231 13.7231 14.3833 14.3833 14.9920 14.9920 15.6262 15.6262 k = 0.0000 0.3559 0.3225 ( 3752 PWs) bands (ev): -4.5830 -4.5830 -3.6920 -3.6920 2.3388 2.3388 3.0536 3.0536 4.1661 4.1661 4.4745 4.4745 4.6711 4.6711 5.0567 5.0567 5.2066 5.2066 5.3131 5.3131 5.4193 5.4193 5.7024 5.7024 5.9361 5.9361 6.1360 6.1360 6.3080 6.3080 6.4254 6.4254 6.6160 6.6160 6.6627 6.6627 6.9765 6.9765 7.0799 7.0799 7.1700 7.1700 7.1967 7.1967 7.2592 7.2592 7.7350 7.7350 9.1107 9.1107 9.2189 9.2189 9.4454 9.4454 10.2863 10.2863 11.0969 11.0969 11.4410 11.4410 13.6841 13.6841 14.3565 14.3565 14.9181 14.9181 15.4789 15.4789 k = 0.0000 0.3432 0.3225 ( 3746 PWs) bands (ev): -4.6334 -4.6334 -3.6760 -3.6760 2.3783 2.3783 3.1356 3.1356 4.1604 4.1604 4.5043 4.5043 4.6675 4.6675 5.0874 5.0874 5.1958 5.1958 5.3066 5.3066 5.4082 5.4082 5.7143 5.7143 5.9147 5.9147 6.1282 6.1282 6.2936 6.2936 6.4414 6.4414 6.6235 6.6235 6.6849 6.6849 6.9557 6.9557 7.0704 7.0704 7.1642 7.1642 7.1884 7.1884 7.2560 7.2560 7.7462 7.7462 9.0511 9.0511 9.1579 9.1579 9.4347 9.4347 10.3039 10.3039 11.1878 11.1878 11.4895 11.4895 13.6515 13.6515 14.3359 14.3359 14.8264 14.8264 15.2942 15.2942 k = 0.0000 0.3305 0.3225 ( 3746 PWs) bands (ev): -4.6831 -4.6831 -3.6626 -3.6626 2.4242 2.4242 3.2185 3.2185 4.1550 4.1550 4.5364 4.5364 4.6651 4.6651 5.1188 5.1188 5.1851 5.1851 5.2992 5.2992 5.3971 5.3971 5.7257 5.7257 5.8941 5.8941 6.1222 6.1222 6.2795 6.2795 6.4565 6.4565 6.6303 6.6303 6.7061 6.7061 6.9342 6.9342 7.0618 7.0618 7.1581 7.1581 7.1803 7.1803 7.2530 7.2530 7.7559 7.7559 8.9922 8.9922 9.0963 9.0963 9.4231 9.4231 10.3172 10.3172 11.2850 11.2850 11.5342 11.5342 13.6257 13.6257 14.3209 14.3209 14.7239 14.7239 15.0987 15.0987 k = 0.0000 0.3178 0.3225 ( 3750 PWs) bands (ev): -4.7320 -4.7320 -3.6516 -3.6516 2.4762 2.4762 3.3017 3.3017 4.1497 4.1497 4.5710 4.5710 4.6637 4.6637 5.1505 5.1505 5.1750 5.1750 5.2914 5.2914 5.3860 5.3860 5.7364 5.7364 5.8746 5.8746 6.1179 6.1179 6.2658 6.2658 6.4706 6.4706 6.6367 6.6367 6.7259 6.7259 6.9126 6.9126 7.0540 7.0540 7.1514 7.1514 7.1729 7.1729 7.2499 7.2499 7.7644 7.7644 8.9344 8.9344 9.0346 9.0346 9.4105 9.4105 10.3264 10.3264 11.3860 11.3860 11.5761 11.5761 13.6067 13.6067 14.3113 14.3113 14.6147 14.6147 14.8975 14.8975 k = 0.0000 0.3051 0.3225 ( 3748 PWs) bands (ev): -4.7800 -4.7800 -3.6430 -3.6430 2.5340 2.5340 3.3843 3.3843 4.1447 4.1447 4.6081 4.6081 4.6635 4.6635 5.1639 5.1639 5.1834 5.1834 5.2841 5.2841 5.3749 5.3749 5.7462 5.7462 5.8564 5.8564 6.1150 6.1150 6.2530 6.2530 6.4835 6.4835 6.6424 6.6424 6.7441 6.7441 6.8917 6.8917 7.0470 7.0470 7.1441 7.1441 7.1663 7.1663 7.2468 7.2468 7.7720 7.7720 8.8778 8.8778 8.9732 8.9732 9.3965 9.3965 10.3315 10.3315 11.4843 11.4843 11.6201 11.6201 13.5946 13.5946 14.3060 14.3060 14.5013 14.5013 14.6938 14.6938 k = 0.0000 0.2924 0.3225 ( 3752 PWs) bands (ev): -4.8269 -4.8269 -3.6365 -3.6365 2.5971 2.5971 3.4658 3.4658 4.1398 4.1398 4.6478 4.6478 4.6645 4.6645 5.1548 5.1548 5.2126 5.2126 5.2794 5.2794 5.3636 5.3636 5.7548 5.7548 5.8402 5.8402 6.1133 6.1133 6.2412 6.2412 6.4954 6.4954 6.6474 6.6474 6.7600 6.7600 6.8718 6.8718 7.0404 7.0404 7.1360 7.1360 7.1606 7.1606 7.2436 7.2436 7.7790 7.7790 8.8228 8.8228 8.9126 8.9126 9.3808 9.3808 10.3328 10.3328 11.5615 11.5615 11.6834 11.6834 13.5890 13.5890 14.3011 14.3011 14.3883 14.3883 14.4910 14.4910 k = 0.0000 0.2796 0.3225 ( 3754 PWs) bands (ev): -4.8726 -4.8726 -3.6321 -3.6321 2.6652 2.6652 3.5455 3.5455 4.1353 4.1353 4.6663 4.6663 4.6902 4.6902 5.1462 5.1462 5.2323 5.2323 5.2851 5.2851 5.3520 5.3520 5.7613 5.7613 5.8269 5.8269 6.1125 6.1125 6.2308 6.2308 6.5060 6.5060 6.6518 6.6518 6.7730 6.7730 6.8537 6.8537 7.0340 7.0340 7.1273 7.1273 7.1561 7.1561 7.2402 7.2402 7.7859 7.7859 8.7694 8.7694 8.8532 8.8532 9.3632 9.3632 10.3306 10.3306 11.6026 11.6026 11.7796 11.7796 13.5893 13.5893 14.2483 14.2483 14.2819 14.2819 14.3341 14.3341 k = 0.0000 0.2669 0.3225 ( 3750 PWs) bands (ev): -4.9170 -4.9170 -3.6294 -3.6294 2.7376 2.7376 3.6226 3.6226 4.1311 4.1311 4.6693 4.6693 4.7350 4.7350 5.1385 5.1385 5.2353 5.2353 5.3085 5.3085 5.3405 5.3405 5.7643 5.7643 5.8181 5.8181 6.1122 6.1122 6.2220 6.2220 6.5153 6.5153 6.6554 6.6554 6.7818 6.7818 6.8387 6.8387 7.0275 7.0275 7.1181 7.1181 7.1530 7.1530 7.2370 7.2370 7.7929 7.7929 8.7178 8.7178 8.7953 8.7953 9.3434 9.3434 10.3252 10.3252 11.6219 11.6219 11.8932 11.8932 13.5943 13.5943 14.0887 14.0887 14.1366 14.1366 14.3315 14.3315 k = 0.0000 0.2542 0.3225 ( 3742 PWs) bands (ev): -4.9600 -4.9600 -3.6285 -3.6285 2.8139 2.8139 3.6967 3.6967 4.1275 4.1275 4.6733 4.6733 4.7818 4.7818 5.1319 5.1319 5.2307 5.2307 5.3260 5.3260 5.3437 5.3437 5.7624 5.7624 5.8152 5.8152 6.1120 6.1120 6.2152 6.2152 6.5232 6.5232 6.6581 6.6581 6.7838 6.7838 6.8290 6.8290 7.0208 7.0208 7.1085 7.1085 7.1517 7.1517 7.2337 7.2337 7.8005 7.8005 8.6680 8.6680 8.7395 8.7395 9.3209 9.3209 10.3169 10.3169 11.6296 11.6296 12.0121 12.0121 13.6000 13.6000 13.9026 13.9026 14.0189 14.0189 14.3419 14.3419 k = 0.0000 0.2415 0.3225 ( 3738 PWs) bands (ev): -5.0014 -5.0014 -3.6290 -3.6290 2.8934 2.8934 3.7670 3.7670 4.1245 4.1245 4.6783 4.6783 4.8294 4.8294 5.1269 5.1269 5.2253 5.2253 5.3142 5.3142 5.3788 5.3788 5.7565 5.7565 5.8175 5.8175 6.1117 6.1117 6.2106 6.2106 6.5297 6.5297 6.6599 6.6599 6.7780 6.7780 6.8255 6.8255 7.0137 7.0137 7.0983 7.0983 7.1520 7.1520 7.2306 7.2306 7.8089 7.8089 8.6202 8.6202 8.6859 8.6859 9.2955 9.2955 10.3062 10.3062 11.6289 11.6289 12.1311 12.1311 13.5870 13.5870 13.7454 13.7454 13.9049 13.9049 14.3562 14.3562 k = 0.0000 0.2288 0.3225 ( 3744 PWs) bands (ev): -5.0412 -5.0412 -3.6308 -3.6308 2.9753 2.9753 3.8333 3.8333 4.1224 4.1224 4.6841 4.6841 4.8762 4.8762 5.1238 5.1238 5.2220 5.2220 5.3010 5.3010 5.4162 5.4162 5.7489 5.7489 5.8227 5.8227 6.1109 6.1109 6.2083 6.2083 6.5345 6.5345 6.6607 6.6607 6.7676 6.7676 6.8250 6.8250 7.0063 7.0063 7.0876 7.0876 7.1539 7.1539 7.2280 7.2280 7.8186 7.8186 8.5741 8.5741 8.6350 8.6350 9.2667 9.2667 10.2934 10.2934 11.6211 11.6211 12.2457 12.2457 13.4839 13.4839 13.6867 13.6867 13.8013 13.8013 14.3731 14.3731 k = 0.0000 0.2161 0.3225 ( 3730 PWs) bands (ev): -5.0794 -5.0794 -3.6337 -3.6337 3.0586 3.0586 3.8950 3.8950 4.1216 4.1216 4.6909 4.6909 4.9193 4.9193 5.1228 5.1228 5.2241 5.2241 5.2872 5.2872 5.4548 5.4548 5.7413 5.7413 5.8292 5.8292 6.1098 6.1098 6.2083 6.2083 6.5377 6.5377 6.6605 6.6605 6.7559 6.7559 6.8242 6.8242 6.9989 6.9989 7.0767 7.0767 7.1570 7.1570 7.2264 7.2264 7.8300 7.8300 8.5298 8.5298 8.5871 8.5871 9.2342 9.2342 10.2788 10.2788 11.6069 11.6069 12.3500 12.3500 13.3287 13.3287 13.6652 13.6652 13.7375 13.7375 14.3916 14.3916 k = 0.0000 0.2034 0.3225 ( 3740 PWs) bands (ev): -5.1157 -5.1157 -3.6375 -3.6375 3.1425 3.1425 3.9521 3.9521 4.1225 4.1225 4.6985 4.6985 4.9550 4.9550 5.1233 5.1233 5.2353 5.2353 5.2728 5.2728 5.4939 5.4939 5.7346 5.7346 5.8361 5.8361 6.1081 6.1081 6.2102 6.2102 6.5389 6.5389 6.6591 6.6591 6.7446 6.7446 6.8216 6.8216 6.9915 6.9915 7.0655 7.0655 7.1603 7.1603 7.2262 7.2262 7.8431 7.8431 8.4872 8.4872 8.5424 8.5424 9.1978 9.1978 10.2630 10.2630 11.5869 11.5869 12.4359 12.4359 13.1735 13.1735 13.6054 13.6054 13.7454 13.7454 14.4113 14.4113 k = 0.0000 0.1907 0.3225 ( 3734 PWs) bands (ev): -5.1502 -5.1502 -3.6420 -3.6420 3.2257 3.2257 4.0042 4.0042 4.1260 4.1260 4.7070 4.7070 4.9804 4.9804 5.1238 5.1238 5.2554 5.2554 5.2625 5.2625 5.5334 5.5334 5.7291 5.7291 5.8435 5.8435 6.1064 6.1064 6.2139 6.2139 6.5380 6.5380 6.6565 6.6565 6.7342 6.7342 6.8169 6.8169 6.9843 6.9843 7.0545 7.0545 7.1630 7.1630 7.2282 7.2282 7.8586 7.8586 8.4464 8.4464 8.5012 8.5012 9.1571 9.1571 10.2462 10.2462 11.5614 11.5614 12.4929 12.4929 13.0274 13.0274 13.5615 13.5615 13.7731 13.7731 14.4317 14.4317 k = 0.0000 0.1780 0.3225 ( 3734 PWs) bands (ev): -5.1827 -5.1827 -3.6471 -3.6471 3.3069 3.3069 4.0511 4.0511 4.1330 4.1330 4.7162 4.7162 4.9955 4.9955 5.1231 5.1231 5.2417 5.2417 5.2992 5.2992 5.5731 5.5731 5.7250 5.7250 5.8510 5.8510 6.1046 6.1046 6.2189 6.2189 6.5348 6.5348 6.6526 6.6526 6.7250 6.7250 6.8104 6.8104 6.9771 6.9771 7.0437 7.0437 7.1647 7.1647 7.2325 7.2325 7.8765 7.8765 8.4073 8.4073 8.4636 8.4636 9.1121 9.1121 10.2289 10.2289 11.5309 11.5309 12.5109 12.5109 12.8928 12.8928 13.5548 13.5548 13.8068 13.8068 14.4522 14.4522 k = 0.0000 0.1652 0.3225 ( 3738 PWs) bands (ev): -5.2133 -5.2133 -3.6525 -3.6525 3.3844 3.3844 4.0920 4.0920 4.1451 4.1451 4.7261 4.7261 5.0029 5.0029 5.1211 5.1211 5.2258 5.2258 5.3483 5.3483 5.6126 5.6126 5.7226 5.7226 5.8588 5.8588 6.1031 6.1031 6.2249 6.2249 6.5291 6.5291 6.6472 6.6472 6.7171 6.7171 6.8024 6.8024 6.9699 6.9699 7.0337 7.0337 7.1650 7.1650 7.2391 7.2391 7.8970 7.8970 8.3702 8.3702 8.4294 8.4294 9.0626 9.0626 10.2113 10.2113 11.4962 11.4962 12.4877 12.4877 12.7708 12.7708 13.5886 13.5886 13.8449 13.8449 14.4727 14.4727 k = 0.0000 0.1525 0.3225 ( 3742 PWs) bands (ev): -5.2418 -5.2418 -3.6582 -3.6582 3.4567 3.4567 4.1255 4.1255 4.1649 4.1649 4.7367 4.7367 5.0055 5.0055 5.1184 5.1184 5.2095 5.2095 5.4036 5.4036 5.6508 5.6508 5.7227 5.7227 5.8669 5.8669 6.1019 6.1019 6.2316 6.2316 6.5209 6.5209 6.6400 6.6400 6.7108 6.7108 6.7937 6.7937 6.9623 6.9623 7.0246 7.0246 7.1643 7.1643 7.2474 7.2474 7.9202 7.9202 8.3353 8.3353 8.3985 8.3985 9.0089 9.0089 10.1937 10.1937 11.4580 11.4580 12.4305 12.4305 12.6614 12.6614 13.6537 13.6537 13.8890 13.8890 14.4929 14.4929 k = 0.0000 0.1398 0.3225 ( 3746 PWs) bands (ev): -5.2682 -5.2682 -3.6640 -3.6640 3.5221 3.5221 4.1533 4.1533 4.1917 4.1917 4.7479 4.7479 5.0052 5.0052 5.1156 5.1156 5.1929 5.1929 5.4619 5.4619 5.6844 5.6844 5.7283 5.7283 5.8755 5.8755 6.1011 6.1011 6.2387 6.2387 6.5100 6.5100 6.6308 6.6308 6.7062 6.7062 6.7849 6.7849 6.9542 6.9542 7.0168 7.0168 7.1632 7.1632 7.2568 7.2568 7.9460 7.9460 8.3028 8.3028 8.3707 8.3707 8.9513 8.9513 10.1766 10.1766 11.4172 11.4172 12.3510 12.3510 12.5644 12.5644 13.7331 13.7331 13.9442 13.9442 14.5128 14.5128 k = 0.0000 0.1271 0.3225 ( 3746 PWs) bands (ev): -5.2924 -5.2924 -3.6698 -3.6698 3.5790 3.5790 4.1807 4.1807 4.2208 4.2208 4.7596 4.7596 5.0035 5.0035 5.1127 5.1127 5.1762 5.1762 5.5205 5.5205 5.7033 5.7033 5.7492 5.7492 5.8847 5.8847 6.1007 6.1007 6.2463 6.2463 6.4968 6.4968 6.6192 6.6192 6.7035 6.7035 6.7767 6.7767 6.9454 6.9454 7.0104 7.0104 7.1618 7.1618 7.2666 7.2666 7.9742 7.9742 8.2729 8.2729 8.3458 8.3458 8.8904 8.8904 10.1602 10.1602 11.3750 11.3750 12.2591 12.2591 12.4796 12.4796 13.8074 13.8074 14.0193 14.0193 14.5326 14.5326 k = 0.0000 0.1144 0.3225 ( 3746 PWs) bands (ev): -5.3145 -5.3145 -3.6753 -3.6753 3.6266 3.6266 4.2108 4.2108 4.2492 4.2492 4.7717 4.7717 5.0011 5.0011 5.1101 5.1101 5.1595 5.1595 5.5776 5.5776 5.7099 5.7099 5.7827 5.7827 5.8946 5.8946 6.1007 6.1007 6.2541 6.2541 6.4813 6.4813 6.6051 6.6051 6.7026 6.7026 6.7694 6.7694 6.9362 6.9362 7.0051 7.0051 7.1604 7.1604 7.2765 7.2765 8.0044 8.0044 8.2457 8.2457 8.3238 8.3238 8.8272 8.8272 10.1446 10.1446 11.3328 11.3328 12.1615 12.1615 12.4068 12.4068 13.8648 13.8648 14.1175 14.1175 14.5530 14.5530 k = 0.0000 0.1017 0.3225 ( 3750 PWs) bands (ev): -5.3344 -5.3344 -3.6806 -3.6806 3.6648 3.6648 4.2430 4.2430 4.2769 4.2769 4.7840 4.7840 4.9986 4.9986 5.1073 5.1073 5.1432 5.1432 5.6318 5.6318 5.7135 5.7135 5.8187 5.8187 5.9053 5.9053 6.1010 6.1010 6.2620 6.2620 6.4640 6.4640 6.5887 6.5887 6.7033 6.7033 6.7635 6.7635 6.9268 6.9268 7.0008 7.0008 7.1592 7.1592 7.2861 7.2861 8.0359 8.0359 8.2213 8.2213 8.3043 8.3043 8.7628 8.7628 10.1302 10.1302 11.2918 11.2918 12.0631 12.0631 12.3454 12.3454 13.9069 13.9069 14.2297 14.2297 14.5759 14.5759 k = 0.0000 0.0890 0.3225 ( 3754 PWs) bands (ev): -5.3519 -5.3519 -3.6855 -3.6855 3.6944 3.6944 4.2736 4.2736 4.3058 4.3058 4.7963 4.7963 4.9964 4.9964 5.1041 5.1041 5.1279 5.1279 5.6808 5.6808 5.7182 5.7182 5.8537 5.8537 5.9173 5.9173 6.1015 6.1015 6.2702 6.2702 6.4452 6.4452 6.5703 6.5703 6.7054 6.7054 6.7591 6.7591 6.9175 6.9175 6.9972 6.9972 7.1582 7.1582 7.2950 7.2950 8.0679 8.0679 8.1999 8.1999 8.2874 8.2874 8.6988 8.6988 10.1170 10.1170 11.2532 11.2532 11.9678 11.9678 12.2943 12.2943 13.9392 13.9392 14.3416 14.3416 14.6059 14.6059 k = 0.0000 0.0763 0.3225 ( 3754 PWs) bands (ev): -5.3672 -5.3672 -3.6899 -3.6899 3.7165 3.7165 4.2983 4.2983 4.3381 4.3381 4.8084 4.8084 4.9947 4.9947 5.0989 5.0989 5.1152 5.1152 5.7103 5.7103 5.7377 5.7377 5.8856 5.8856 5.9310 5.9310 6.1023 6.1023 6.2786 6.2786 6.4256 6.4256 6.5506 6.5506 6.7085 6.7085 6.7562 6.7562 6.9088 6.9088 6.9940 6.9940 7.1575 7.1575 7.3032 7.3032 8.0991 8.0991 8.1816 8.1816 8.2729 8.2729 8.6370 8.6370 10.1054 10.1054 11.2181 11.2181 11.8785 11.8785 12.2525 12.2525 13.9651 13.9651 14.4355 14.4355 14.6535 14.6535 k = 0.0000 0.0636 0.3225 ( 3758 PWs) bands (ev): -5.3802 -5.3802 -3.6938 -3.6938 3.7327 3.7327 4.3170 4.3170 4.3718 4.3718 4.8199 4.8199 4.9939 4.9939 5.0889 5.0889 5.1080 5.1080 5.7163 5.7163 5.7754 5.7754 5.9117 5.9117 5.9479 5.9479 6.1033 6.1033 6.2871 6.2871 6.4057 6.4057 6.5302 6.5302 6.7120 6.7120 6.7549 6.7549 6.9008 6.9008 6.9911 6.9911 7.1570 7.1570 7.3104 7.3104 8.1275 8.1275 8.1674 8.1674 8.2607 8.2607 8.5794 8.5794 10.0954 10.0954 11.1873 11.1873 11.7980 11.7980 12.2189 12.2189 13.9861 13.9861 14.4961 14.4961 14.7288 14.7288 k = 0.0000 0.0508 0.3225 ( 3752 PWs) bands (ev): -5.3909 -5.3909 -3.6970 -3.6970 3.7442 3.7442 4.3313 4.3313 4.4031 4.4031 4.8305 4.8305 4.9940 4.9940 5.0764 5.0764 5.1046 5.1046 5.7190 5.7190 5.8102 5.8102 5.9300 5.9300 5.9686 5.9686 6.1045 6.1045 6.2957 6.2957 6.3868 6.3868 6.5100 6.5100 6.7154 6.7154 6.7551 6.7551 6.8940 6.8940 6.9886 6.9886 7.1567 7.1567 7.3165 7.3165 8.1434 8.1434 8.1657 8.1657 8.2507 8.2507 8.5282 8.5282 10.0870 10.0870 11.1615 11.1615 11.7286 11.7286 12.1925 12.1925 14.0028 14.0028 14.5284 14.5284 14.8216 14.8216 k = 0.0000 0.0381 0.3225 ( 3740 PWs) bands (ev): -5.3992 -5.3992 -3.6996 -3.6996 3.7521 3.7521 4.3420 4.3420 4.4296 4.4296 4.8395 4.8395 4.9953 4.9953 5.0642 5.0642 5.1025 5.1025 5.7209 5.7209 5.8388 5.8388 5.9423 5.9423 5.9896 5.9896 6.1060 6.1060 6.3039 6.3039 6.3700 6.3700 6.4912 6.4912 6.7181 6.7181 6.7566 6.7566 6.8884 6.8884 6.9864 6.9864 7.1565 7.1565 7.3214 7.3214 8.1386 8.1386 8.1834 8.1834 8.2428 8.2428 8.4857 8.4857 10.0805 10.0805 11.1412 11.1412 11.6722 11.6722 12.1727 12.1727 14.0157 14.0157 14.5459 14.5459 14.9128 14.9128 k = 0.0000 0.0254 0.3225 ( 3736 PWs) bands (ev): -5.4051 -5.4051 -3.7014 -3.7014 3.7572 3.7572 4.3494 4.3494 4.4495 4.4495 4.8464 4.8464 4.9974 4.9974 5.0536 5.0536 5.1010 5.1010 5.7223 5.7223 5.8601 5.8601 5.9505 5.9505 6.0068 6.0068 6.1074 6.1074 6.3105 6.3105 6.3570 6.3570 6.4753 6.4753 6.7200 6.7200 6.7586 6.7586 6.8843 6.8843 6.9846 6.9846 7.1565 7.1565 7.3250 7.3250 8.1324 8.1324 8.2002 8.2002 8.2367 8.2367 8.4539 8.4539 10.0758 10.0758 11.1265 11.1265 11.6306 11.6306 12.1589 12.1589 14.0248 14.0248 14.5559 14.5559 14.9887 14.9887 k = 0.0000 0.0127 0.3225 ( 3736 PWs) bands (ev): -5.4087 -5.4087 -3.7026 -3.7026 3.7601 3.7601 4.3539 4.3539 4.4618 4.4618 4.8508 4.8508 4.9996 4.9996 5.0461 5.0461 5.1001 5.1001 5.7231 5.7231 5.8732 5.8732 5.9555 5.9555 6.0179 6.0179 6.1087 6.1087 6.3144 6.3144 6.3495 6.3495 6.4643 6.4643 6.7209 6.7209 6.7603 6.7603 6.8817 6.8817 6.9835 6.9835 7.1564 7.1564 7.3272 7.3272 8.1285 8.1285 8.2116 8.2116 8.2323 8.2323 8.4340 8.4340 10.0730 10.0730 11.1176 11.1176 11.6051 11.6051 12.1508 12.1508 14.0302 14.0302 14.5612 14.5612 15.0390 15.0390 k = 0.0000 0.0000 0.3225 ( 3726 PWs) bands (ev): -5.4098 -5.4098 -3.7029 -3.7029 3.7610 3.7610 4.3553 4.3553 4.4660 4.4660 4.8523 4.8523 5.0007 5.0007 5.0433 5.0433 5.0998 5.0998 5.7234 5.7234 5.8776 5.8776 5.9572 5.9572 6.0217 6.0217 6.1092 6.1092 6.3155 6.3155 6.3473 6.3473 6.4604 6.4604 6.7213 6.7213 6.7610 6.7610 6.8809 6.8809 6.9831 6.9831 7.1565 7.1565 7.3279 7.3279 8.1271 8.1271 8.2161 8.2161 8.2303 8.2303 8.4274 8.4274 10.0720 10.0720 11.1146 11.1146 11.5965 11.5965 12.1481 12.1481 14.0320 14.0320 14.5628 14.5628 15.0568 15.0568 k = 0.0000 0.4957-0.0000 ( 3728 PWs) bands (ev): -4.0628 -4.0628 -4.0628 -4.0628 2.4970 2.4970 2.4970 2.4970 4.5975 4.5975 4.5975 4.5975 4.7704 4.7704 4.7704 4.7704 5.3025 5.3025 5.3025 5.3025 5.6023 5.6023 5.6023 5.6023 6.0339 6.0339 6.0339 6.0339 6.3087 6.3087 6.3087 6.3087 6.3929 6.3929 6.3929 6.3929 7.1277 7.1277 7.1277 7.1277 7.2678 7.2678 7.2678 7.2678 7.4419 7.4419 7.4419 7.4419 8.2702 8.2702 8.2702 8.2702 9.6448 9.6448 9.6448 9.6448 11.8929 11.8929 11.8929 11.8929 14.0176 14.0176 14.0176 14.0176 15.8853 15.8853 15.8853 15.8853 k = 0.0000 0.4957 0.0129 ( 3724 PWs) bands (ev): -4.0628 -4.0628 -4.0628 -4.0628 2.4965 2.4965 2.4965 2.4965 4.5957 4.5957 4.5957 4.5957 4.7704 4.7704 4.7704 4.7704 5.3026 5.3026 5.3026 5.3026 5.6022 5.6022 5.6022 5.6022 6.0350 6.0350 6.0350 6.0350 6.3088 6.3088 6.3088 6.3088 6.3934 6.3934 6.3934 6.3934 7.1277 7.1277 7.1277 7.1277 7.2677 7.2677 7.2677 7.2677 7.4423 7.4423 7.4423 7.4423 8.2733 8.2733 8.2733 8.2733 9.6455 9.6455 9.6455 9.6455 11.8902 11.8902 11.8902 11.8902 14.0185 14.0185 14.0185 14.0185 15.8803 15.8803 15.8803 15.8803 k = 0.0000 0.4957 0.0258 ( 3728 PWs) bands (ev): -4.0625 -4.0625 -4.0625 -4.0625 2.4948 2.4948 2.4948 2.4948 4.5902 4.5902 4.5902 4.5902 4.7704 4.7704 4.7704 4.7704 5.3027 5.3027 5.3027 5.3027 5.6021 5.6021 5.6021 5.6021 6.0381 6.0381 6.0381 6.0381 6.3089 6.3089 6.3089 6.3089 6.3949 6.3949 6.3949 6.3949 7.1275 7.1275 7.1275 7.1275 7.2673 7.2673 7.2673 7.2673 7.4436 7.4436 7.4436 7.4436 8.2826 8.2826 8.2826 8.2826 9.6476 9.6476 9.6476 9.6476 11.8820 11.8820 11.8820 11.8820 14.0211 14.0211 14.0211 14.0211 15.8654 15.8654 15.8654 15.8654 k = 0.0000 0.4957 0.0387 ( 3724 PWs) bands (ev): -4.0620 -4.0620 -4.0620 -4.0620 2.4921 2.4921 2.4921 2.4921 4.5814 4.5814 4.5814 4.5814 4.7704 4.7704 4.7704 4.7704 5.3030 5.3030 5.3030 5.3030 5.6018 5.6018 5.6018 5.6018 6.0433 6.0433 6.0433 6.0433 6.3092 6.3092 6.3092 6.3092 6.3975 6.3975 6.3975 6.3975 7.1272 7.1272 7.1272 7.1272 7.2668 7.2668 7.2668 7.2668 7.4456 7.4456 7.4456 7.4456 8.2982 8.2982 8.2982 8.2982 9.6512 9.6512 9.6512 9.6512 11.8685 11.8685 11.8685 11.8685 14.0254 14.0254 14.0254 14.0254 15.8414 15.8414 15.8414 15.8414 k = 0.0000 0.4957 0.0516 ( 3724 PWs) bands (ev): -4.0614 -4.0614 -4.0614 -4.0614 2.4883 2.4883 2.4883 2.4883 4.5694 4.5694 4.5694 4.5694 4.7705 4.7705 4.7705 4.7705 5.3033 5.3033 5.3033 5.3033 5.6013 5.6013 5.6013 5.6013 6.0502 6.0502 6.0502 6.0502 6.3097 6.3097 6.3097 6.3097 6.4009 6.4009 6.4009 6.4009 7.1267 7.1267 7.1267 7.1267 7.2660 7.2660 7.2660 7.2660 7.4482 7.4482 7.4482 7.4482 8.3202 8.3202 8.3202 8.3202 9.6560 9.6560 9.6560 9.6560 11.8497 11.8497 11.8497 11.8497 14.0316 14.0316 14.0316 14.0316 15.8091 15.8091 15.8091 15.8091 k = 0.0000 0.4957 0.0645 ( 3728 PWs) bands (ev): -4.0607 -4.0607 -4.0607 -4.0607 2.4836 2.4836 2.4836 2.4836 4.5546 4.5546 4.5546 4.5546 4.7707 4.7707 4.7707 4.7707 5.3036 5.3036 5.3036 5.3036 5.6005 5.6005 5.6005 5.6005 6.0586 6.0586 6.0586 6.0586 6.3103 6.3103 6.3103 6.3103 6.4052 6.4052 6.4052 6.4052 7.1261 7.1261 7.1261 7.1261 7.2651 7.2651 7.2651 7.2651 7.4512 7.4512 7.4512 7.4512 8.3484 8.3484 8.3484 8.3484 9.6621 9.6621 9.6621 9.6621 11.8256 11.8256 11.8256 11.8256 14.0395 14.0395 14.0395 14.0395 15.7698 15.7698 15.7698 15.7698 k = 0.0000 0.4957 0.0774 ( 3730 PWs) bands (ev): -4.0597 -4.0597 -4.0597 -4.0597 2.4779 2.4779 2.4779 2.4779 4.5375 4.5375 4.5375 4.5375 4.7711 4.7711 4.7711 4.7711 5.3040 5.3040 5.3040 5.3040 5.5994 5.5994 5.5994 5.5994 6.0680 6.0680 6.0680 6.0680 6.3111 6.3111 6.3111 6.3111 6.4103 6.4103 6.4103 6.4103 7.1253 7.1253 7.1253 7.1253 7.2639 7.2639 7.2639 7.2639 7.4546 7.4546 7.4546 7.4546 8.3830 8.3830 8.3830 8.3830 9.6694 9.6694 9.6694 9.6694 11.7964 11.7964 11.7964 11.7964 14.0492 14.0492 14.0492 14.0492 15.7246 15.7246 15.7246 15.7246 k = 0.0000 0.4957 0.0903 ( 3738 PWs) bands (ev): -4.0587 -4.0587 -4.0587 -4.0587 2.4714 2.4714 2.4714 2.4714 4.5185 4.5185 4.5185 4.5185 4.7716 4.7716 4.7716 4.7716 5.3044 5.3044 5.3044 5.3044 5.5979 5.5979 5.5979 5.5979 6.0781 6.0781 6.0781 6.0781 6.3120 6.3120 6.3120 6.3120 6.4160 6.4160 6.4160 6.4160 7.1244 7.1244 7.1244 7.1244 7.2627 7.2627 7.2627 7.2627 7.4580 7.4580 7.4580 7.4580 8.4239 8.4239 8.4239 8.4239 9.6777 9.6777 9.6777 9.6777 11.7621 11.7621 11.7621 11.7621 14.0607 14.0607 14.0607 14.0607 15.6749 15.6749 15.6749 15.6749 k = 0.0000 0.4957 0.1032 ( 3746 PWs) bands (ev): -4.0575 -4.0575 -4.0575 -4.0575 2.4642 2.4642 2.4642 2.4642 4.4982 4.4982 4.4982 4.4982 4.7724 4.7724 4.7724 4.7724 5.3048 5.3048 5.3048 5.3048 5.5960 5.5960 5.5960 5.5960 6.0887 6.0887 6.0887 6.0887 6.3131 6.3131 6.3131 6.3131 6.4224 6.4224 6.4224 6.4224 7.1234 7.1234 7.1234 7.1234 7.2613 7.2613 7.2613 7.2613 7.4614 7.4614 7.4614 7.4614 8.4708 8.4708 8.4708 8.4708 9.6870 9.6870 9.6870 9.6870 11.7230 11.7230 11.7230 11.7230 14.0740 14.0740 14.0740 14.0740 15.6219 15.6219 15.6219 15.6219 k = 0.0000 0.4957 0.1161 ( 3746 PWs) bands (ev): -4.0562 -4.0562 -4.0562 -4.0562 2.4564 2.4564 2.4564 2.4564 4.4770 4.4770 4.4770 4.4770 4.7734 4.7734 4.7734 4.7734 5.3052 5.3052 5.3052 5.3052 5.5938 5.5938 5.5938 5.5938 6.0994 6.0994 6.0994 6.0994 6.3145 6.3145 6.3145 6.3145 6.4293 6.4293 6.4293 6.4293 7.1222 7.1222 7.1222 7.1222 7.2598 7.2598 7.2598 7.2598 7.4646 7.4646 7.4646 7.4646 8.5238 8.5238 8.5238 8.5238 9.6972 9.6972 9.6972 9.6972 11.6793 11.6793 11.6793 11.6793 14.0892 14.0892 14.0892 14.0892 15.5668 15.5668 15.5668 15.5668 k = 0.0000 0.4957 0.1290 ( 3746 PWs) bands (ev): -4.0549 -4.0549 -4.0549 -4.0549 2.4480 2.4480 2.4480 2.4480 4.4554 4.4554 4.4554 4.4554 4.7745 4.7745 4.7745 4.7745 5.3057 5.3057 5.3057 5.3057 5.5912 5.5912 5.5912 5.5912 6.1099 6.1099 6.1099 6.1099 6.3161 6.3161 6.3161 6.3161 6.4366 6.4366 6.4366 6.4366 7.1210 7.1210 7.1210 7.1210 7.2583 7.2583 7.2583 7.2583 7.4676 7.4676 7.4676 7.4676 8.5823 8.5823 8.5823 8.5823 9.7080 9.7080 9.7080 9.7080 11.6311 11.6311 11.6311 11.6311 14.1062 14.1062 14.1062 14.1062 15.5107 15.5107 15.5107 15.5107 k = 0.0000 0.4957 0.1419 ( 3742 PWs) bands (ev): -4.0535 -4.0535 -4.0535 -4.0535 2.4393 2.4393 2.4393 2.4393 4.4338 4.4338 4.4338 4.4338 4.7758 4.7758 4.7758 4.7758 5.3061 5.3061 5.3061 5.3061 5.5884 5.5884 5.5884 5.5884 6.1200 6.1200 6.1200 6.1200 6.3178 6.3178 6.3178 6.3178 6.4442 6.4442 6.4442 6.4442 7.1196 7.1196 7.1196 7.1196 7.2567 7.2567 7.2567 7.2567 7.4702 7.4702 7.4702 7.4702 8.6460 8.6460 8.6460 8.6460 9.7193 9.7193 9.7193 9.7193 11.5787 11.5787 11.5787 11.5787 14.1250 14.1250 14.1250 14.1250 15.4545 15.4545 15.4545 15.4545 k = 0.0000 0.4957 0.1548 ( 3746 PWs) bands (ev): -4.0520 -4.0520 -4.0520 -4.0520 2.4304 2.4304 2.4304 2.4304 4.4125 4.4125 4.4125 4.4125 4.7771 4.7771 4.7771 4.7771 5.3064 5.3064 5.3064 5.3064 5.5853 5.5853 5.5853 5.5853 6.1295 6.1295 6.1295 6.1295 6.3198 6.3198 6.3198 6.3198 6.4519 6.4519 6.4519 6.4519 7.1181 7.1181 7.1181 7.1181 7.2551 7.2551 7.2551 7.2551 7.4724 7.4724 7.4724 7.4724 8.7145 8.7145 8.7145 8.7145 9.7309 9.7309 9.7309 9.7309 11.5225 11.5225 11.5225 11.5225 14.1454 14.1454 14.1454 14.1454 15.3990 15.3990 15.3990 15.3990 k = 0.0000 0.4957 0.1677 ( 3754 PWs) bands (ev): -4.0506 -4.0506 -4.0506 -4.0506 2.4214 2.4214 2.4214 2.4214 4.3919 4.3919 4.3919 4.3919 4.7785 4.7785 4.7785 4.7785 5.3068 5.3068 5.3068 5.3068 5.5821 5.5821 5.5821 5.5821 6.1383 6.1383 6.1383 6.1383 6.3218 6.3218 6.3218 6.3218 6.4596 6.4596 6.4596 6.4596 7.1164 7.1164 7.1164 7.1164 7.2535 7.2535 7.2535 7.2535 7.4741 7.4741 7.4741 7.4741 8.7870 8.7870 8.7870 8.7870 9.7427 9.7427 9.7427 9.7427 11.4628 11.4628 11.4628 11.4628 14.1673 14.1673 14.1673 14.1673 15.3450 15.3450 15.3450 15.3450 k = 0.0000 0.4957 0.1806 ( 3752 PWs) bands (ev): -4.0491 -4.0491 -4.0491 -4.0491 2.4124 2.4124 2.4124 2.4124 4.3722 4.3722 4.3722 4.3722 4.7800 4.7800 4.7800 4.7800 5.3071 5.3071 5.3071 5.3071 5.5788 5.5788 5.5788 5.5788 6.1464 6.1464 6.1464 6.1464 6.3240 6.3240 6.3240 6.3240 6.4672 6.4672 6.4672 6.4672 7.1149 7.1149 7.1149 7.1149 7.2519 7.2519 7.2519 7.2519 7.4756 7.4756 7.4756 7.4756 8.8629 8.8629 8.8629 8.8629 9.7546 9.7546 9.7546 9.7546 11.4001 11.4001 11.4001 11.4001 14.1907 14.1907 14.1907 14.1907 15.2932 15.2932 15.2932 15.2932 k = 0.0000 0.4957 0.1935 ( 3752 PWs) bands (ev): -4.0477 -4.0477 -4.0477 -4.0477 2.4036 2.4036 2.4036 2.4036 4.3537 4.3537 4.3537 4.3537 4.7814 4.7814 4.7814 4.7814 5.3074 5.3074 5.3074 5.3074 5.5755 5.5755 5.5755 5.5755 6.1536 6.1536 6.1536 6.1536 6.3262 6.3262 6.3262 6.3262 6.4746 6.4746 6.4746 6.4746 7.1133 7.1133 7.1133 7.1133 7.2504 7.2504 7.2504 7.2504 7.4767 7.4767 7.4767 7.4767 8.9412 8.9412 8.9412 8.9412 9.7662 9.7662 9.7662 9.7662 11.3350 11.3350 11.3350 11.3350 14.2151 14.2151 14.2151 14.2151 15.2442 15.2442 15.2442 15.2442 k = 0.0000 0.4957 0.2064 ( 3754 PWs) bands (ev): -4.0464 -4.0464 -4.0464 -4.0464 2.3951 2.3951 2.3951 2.3951 4.3365 4.3365 4.3365 4.3365 4.7829 4.7829 4.7829 4.7829 5.3077 5.3077 5.3077 5.3077 5.5722 5.5722 5.5722 5.5722 6.1600 6.1600 6.1600 6.1600 6.3284 6.3284 6.3284 6.3284 6.4817 6.4817 6.4817 6.4817 7.1117 7.1117 7.1117 7.1117 7.2490 7.2490 7.2490 7.2490 7.4774 7.4774 7.4774 7.4774 9.0212 9.0212 9.0212 9.0212 9.7775 9.7775 9.7775 9.7775 11.2680 11.2680 11.2680 11.2680 14.2403 14.2403 14.2403 14.2403 15.1984 15.1984 15.1984 15.1984 k = 0.0000 0.4957 0.2193 ( 3752 PWs) bands (ev): -4.0451 -4.0451 -4.0451 -4.0451 2.3871 2.3871 2.3871 2.3871 4.3209 4.3209 4.3209 4.3209 4.7843 4.7843 4.7843 4.7843 5.3079 5.3079 5.3079 5.3079 5.5691 5.5691 5.5691 5.5691 6.1656 6.1656 6.1656 6.1656 6.3306 6.3306 6.3306 6.3306 6.4883 6.4883 6.4883 6.4883 7.1101 7.1101 7.1101 7.1101 7.2477 7.2477 7.2477 7.2477 7.4780 7.4780 7.4780 7.4780 9.1015 9.1015 9.1015 9.1015 9.7882 9.7882 9.7882 9.7882 11.2001 11.2001 11.2001 11.2001 14.2658 14.2658 14.2658 14.2658 15.1564 15.1564 15.1564 15.1564 k = 0.0000 0.4957 0.2322 ( 3748 PWs) bands (ev): -4.0439 -4.0439 -4.0439 -4.0439 2.3797 2.3797 2.3797 2.3797 4.3068 4.3068 4.3068 4.3068 4.7856 4.7856 4.7856 4.7856 5.3082 5.3082 5.3082 5.3082 5.5661 5.5661 5.5661 5.5661 6.1704 6.1704 6.1704 6.1704 6.3327 6.3327 6.3327 6.3327 6.4944 6.4944 6.4944 6.4944 7.1086 7.1086 7.1086 7.1086 7.2465 7.2465 7.2465 7.2465 7.4783 7.4783 7.4783 7.4783 9.1808 9.1808 9.1808 9.1808 9.7982 9.7982 9.7982 9.7982 11.1323 11.1323 11.1323 11.1323 14.2912 14.2912 14.2912 14.2912 15.1185 15.1185 15.1185 15.1185 k = 0.0000 0.4957 0.2451 ( 3744 PWs) bands (ev): -4.0428 -4.0428 -4.0428 -4.0428 2.3731 2.3731 2.3731 2.3731 4.2945 4.2945 4.2945 4.2945 4.7868 4.7868 4.7868 4.7868 5.3084 5.3084 5.3084 5.3084 5.5635 5.5635 5.5635 5.5635 6.1745 6.1745 6.1745 6.1745 6.3346 6.3346 6.3346 6.3346 6.4999 6.4999 6.4999 6.4999 7.1072 7.1072 7.1072 7.1072 7.2454 7.2454 7.2454 7.2454 7.4784 7.4784 7.4784 7.4784 9.2576 9.2576 9.2576 9.2576 9.8074 9.8074 9.8074 9.8074 11.0661 11.0661 11.0661 11.0661 14.3157 14.3157 14.3157 14.3157 15.0851 15.0851 15.0851 15.0851 k = 0.0000 0.4957 0.2580 ( 3744 PWs) bands (ev): -4.0419 -4.0419 -4.0419 -4.0419 2.3672 2.3672 2.3672 2.3672 4.2839 4.2839 4.2839 4.2839 4.7879 4.7879 4.7879 4.7879 5.3085 5.3085 5.3085 5.3085 5.5611 5.5611 5.5611 5.5611 6.1778 6.1778 6.1778 6.1778 6.3363 6.3363 6.3363 6.3363 6.5047 6.5047 6.5047 6.5047 7.1060 7.1060 7.1060 7.1060 7.2444 7.2444 7.2444 7.2444 7.4785 7.4785 7.4785 7.4785 9.3297 9.3297 9.3297 9.3297 9.8156 9.8156 9.8156 9.8156 11.0031 11.0031 11.0031 11.0031 14.3387 14.3387 14.3387 14.3387 15.0565 15.0565 15.0565 15.0565 k = 0.0000 0.4957 0.2709 ( 3760 PWs) bands (ev): -4.0411 -4.0411 -4.0411 -4.0411 2.3623 2.3623 2.3623 2.3623 4.2752 4.2752 4.2752 4.2752 4.7888 4.7888 4.7888 4.7888 5.3086 5.3086 5.3086 5.3086 5.5590 5.5590 5.5590 5.5590 6.1804 6.1804 6.1804 6.1804 6.3377 6.3377 6.3377 6.3377 6.5087 6.5087 6.5087 6.5087 7.1048 7.1048 7.1048 7.1048 7.2436 7.2436 7.2436 7.2436 7.4784 7.4784 7.4784 7.4784 9.3949 9.3949 9.3949 9.3949 9.8227 9.8227 9.8227 9.8227 10.9455 10.9455 10.9455 10.9455 14.3592 14.3592 14.3592 14.3592 15.0328 15.0328 15.0328 15.0328 k = 0.0000 0.4957 0.2838 ( 3764 PWs) bands (ev): -4.0405 -4.0405 -4.0405 -4.0405 2.3584 2.3584 2.3584 2.3584 4.2684 4.2684 4.2684 4.2684 4.7895 4.7895 4.7895 4.7895 5.3087 5.3087 5.3087 5.3087 5.5574 5.5574 5.5574 5.5574 6.1825 6.1825 6.1825 6.1825 6.3388 6.3388 6.3388 6.3388 6.5118 6.5118 6.5118 6.5118 7.1039 7.1039 7.1039 7.1039 7.2430 7.2430 7.2430 7.2430 7.4783 7.4783 7.4783 7.4783 9.4503 9.4503 9.4503 9.4503 9.8286 9.8286 9.8286 9.8286 10.8959 10.8959 10.8959 10.8959 14.3763 14.3763 14.3763 14.3763 15.0143 15.0143 15.0143 15.0143 k = 0.0000 0.4957 0.2967 ( 3768 PWs) bands (ev): -4.0400 -4.0400 -4.0400 -4.0400 2.3555 2.3555 2.3555 2.3555 4.2635 4.2635 4.2635 4.2635 4.7900 4.7900 4.7900 4.7900 5.3087 5.3087 5.3087 5.3087 5.5562 5.5562 5.5562 5.5562 6.1839 6.1839 6.1839 6.1839 6.3397 6.3397 6.3397 6.3397 6.5141 6.5141 6.5141 6.5141 7.1032 7.1032 7.1032 7.1032 7.2425 7.2425 7.2425 7.2425 7.4782 7.4782 7.4782 7.4782 9.4929 9.4929 9.4929 9.4929 9.8330 9.8330 9.8330 9.8330 10.8573 10.8573 10.8573 10.8573 14.3894 14.3894 14.3894 14.3894 15.0011 15.0011 15.0011 15.0011 k = 0.0000 0.4957 0.3096 ( 3768 PWs) bands (ev): -4.0397 -4.0397 -4.0397 -4.0397 2.3538 2.3538 2.3538 2.3538 4.2605 4.2605 4.2605 4.2605 4.7903 4.7903 4.7903 4.7903 5.3088 5.3088 5.3088 5.3088 5.5555 5.5555 5.5555 5.5555 6.1848 6.1848 6.1848 6.1848 6.3402 6.3402 6.3402 6.3402 6.5155 6.5155 6.5155 6.5155 7.1028 7.1028 7.1028 7.1028 7.2422 7.2422 7.2422 7.2422 7.4782 7.4782 7.4782 7.4782 9.5199 9.5199 9.5199 9.5199 9.8358 9.8358 9.8358 9.8358 10.8327 10.8327 10.8327 10.8327 14.3975 14.3975 14.3975 14.3975 14.9931 14.9931 14.9931 14.9931 k = 0.0000 0.4957 0.3225 ( 3772 PWs) bands (ev): -4.0396 -4.0396 -4.0396 -4.0396 2.3532 2.3532 2.3532 2.3532 4.2595 4.2595 4.2595 4.2595 4.7904 4.7904 4.7904 4.7904 5.3088 5.3088 5.3088 5.3088 5.5552 5.5552 5.5552 5.5552 6.1850 6.1850 6.1850 6.1850 6.3404 6.3404 6.3404 6.3404 6.5160 6.5160 6.5160 6.5160 7.1027 7.1027 7.1027 7.1027 7.2421 7.2421 7.2421 7.2421 7.4782 7.4782 7.4782 7.4782 9.5292 9.5292 9.5292 9.5292 9.8367 9.8367 9.8367 9.8367 10.8242 10.8242 10.8242 10.8242 14.4003 14.4003 14.4003 14.4003 14.9905 14.9905 14.9905 14.9905 k = 0.5000-0.0000 0.3225 ( 3780 PWs) bands (ev): -4.4541 -4.4541 -4.4541 -4.4541 3.7499 3.7499 3.7499 3.7499 4.9033 4.9033 4.9033 4.9033 4.9939 4.9939 4.9939 4.9939 5.7040 5.7040 5.7040 5.7040 5.9220 5.9220 5.9220 5.9220 6.3481 6.3481 6.3481 6.3481 6.4836 6.4836 6.4836 6.4836 6.5669 6.5669 6.5669 6.5669 6.7185 6.7185 6.7185 6.7185 6.8361 6.8361 6.8361 6.8361 7.1889 7.1889 7.1889 7.1889 7.4978 7.4978 7.4978 7.4978 9.1523 9.1523 9.1523 9.1523 11.0089 11.0089 11.0089 11.0089 13.7569 13.7569 13.7569 13.7569 14.6836 14.6836 14.6836 14.6836 k = 0.5000-0.0000 0.3096 ( 3774 PWs) bands (ev): -4.4542 -4.4542 -4.4542 -4.4542 3.7512 3.7512 3.7512 3.7512 4.9039 4.9039 4.9039 4.9039 4.9942 4.9942 4.9942 4.9942 5.7038 5.7038 5.7038 5.7038 5.9214 5.9214 5.9214 5.9214 6.3467 6.3467 6.3467 6.3467 6.4829 6.4829 6.4829 6.4829 6.5672 6.5672 6.5672 6.5672 6.7184 6.7184 6.7184 6.7184 6.8369 6.8369 6.8369 6.8369 7.1889 7.1889 7.1889 7.1889 7.4978 7.4978 7.4978 7.4978 9.1515 9.1515 9.1515 9.1515 11.0055 11.0055 11.0055 11.0055 13.7492 13.7492 13.7492 13.7492 14.7009 14.7009 14.7009 14.7009 k = 0.5000-0.0000 0.2967 ( 3778 PWs) bands (ev): -4.4544 -4.4544 -4.4544 -4.4544 3.7552 3.7552 3.7552 3.7552 4.9053 4.9053 4.9053 4.9053 4.9952 4.9952 4.9952 4.9952 5.7031 5.7031 5.7031 5.7031 5.9198 5.9198 5.9198 5.9198 6.3426 6.3426 6.3426 6.3426 6.4808 6.4808 6.4808 6.4808 6.5677 6.5677 6.5677 6.5677 6.7181 6.7181 6.7181 6.7181 6.8391 6.8391 6.8391 6.8391 7.1889 7.1889 7.1889 7.1889 7.4980 7.4980 7.4980 7.4980 9.1490 9.1490 9.1490 9.1490 10.9954 10.9954 10.9954 10.9954 13.7278 13.7278 13.7278 13.7278 14.7507 14.7507 14.7507 14.7507 k = 0.5000-0.0000 0.2838 ( 3774 PWs) bands (ev): -4.4547 -4.4547 -4.4547 -4.4547 3.7617 3.7617 3.7617 3.7617 4.9077 4.9077 4.9077 4.9077 4.9968 4.9968 4.9968 4.9968 5.7021 5.7021 5.7021 5.7021 5.9170 5.9170 5.9170 5.9170 6.3357 6.3357 6.3357 6.3357 6.4777 6.4777 6.4777 6.4777 6.5685 6.5685 6.5685 6.5685 6.7175 6.7175 6.7175 6.7175 6.8428 6.8428 6.8428 6.8428 7.1890 7.1890 7.1890 7.1890 7.4984 7.4984 7.4984 7.4984 9.1449 9.1449 9.1449 9.1449 10.9789 10.9789 10.9789 10.9789 13.6971 13.6971 13.6971 13.6971 14.8286 14.8286 14.8286 14.8286 k = 0.5000-0.0000 0.2709 ( 3766 PWs) bands (ev): -4.4551 -4.4551 -4.4551 -4.4551 3.7707 3.7707 3.7707 3.7707 4.9112 4.9112 4.9112 4.9112 4.9991 4.9991 4.9991 4.9991 5.7005 5.7005 5.7005 5.7005 5.9131 5.9131 5.9131 5.9131 6.3262 6.3262 6.3262 6.3262 6.4740 6.4740 6.4740 6.4740 6.5692 6.5692 6.5692 6.5692 6.7167 6.7167 6.7167 6.7167 6.8479 6.8479 6.8479 6.8479 7.1891 7.1891 7.1891 7.1891 7.4988 7.4988 7.4988 7.4988 9.1392 9.1392 9.1392 9.1392 10.9567 10.9567 10.9567 10.9567 13.6614 13.6614 13.6614 13.6614 14.9292 14.9292 14.9292 14.9292 k = 0.5000-0.0000 0.2580 ( 3762 PWs) bands (ev): -4.4557 -4.4557 -4.4557 -4.4557 3.7821 3.7821 3.7821 3.7821 4.9155 4.9155 4.9155 4.9155 5.0019 5.0019 5.0019 5.0019 5.6985 5.6985 5.6985 5.6985 5.9081 5.9081 5.9081 5.9081 6.3142 6.3142 6.3142 6.3142 6.4699 6.4699 6.4699 6.4699 6.5698 6.5698 6.5698 6.5698 6.7154 6.7154 6.7154 6.7154 6.8541 6.8541 6.8541 6.8541 7.1892 7.1892 7.1892 7.1892 7.4994 7.4994 7.4994 7.4994 9.1318 9.1318 9.1318 9.1318 10.9295 10.9295 10.9295 10.9295 13.6245 13.6245 13.6245 13.6245 15.0482 15.0482 15.0482 15.0482 k = 0.5000-0.0000 0.2451 ( 3762 PWs) bands (ev): -4.4563 -4.4563 -4.4563 -4.4563 3.7958 3.7958 3.7958 3.7958 4.9208 4.9208 4.9208 4.9208 5.0054 5.0054 5.0054 5.0054 5.6961 5.6961 5.6961 5.6961 5.9021 5.9021 5.9021 5.9021 6.2999 6.2999 6.2999 6.2999 6.4657 6.4657 6.4657 6.4657 6.5699 6.5699 6.5699 6.5699 6.7138 6.7138 6.7138 6.7138 6.8611 6.8611 6.8611 6.8611 7.1894 7.1894 7.1894 7.1894 7.5000 7.5000 7.5000 7.5000 9.1229 9.1229 9.1229 9.1229 10.8982 10.8982 10.8982 10.8982 13.5888 13.5888 13.5888 13.5888 15.1820 15.1820 15.1820 15.1820 k = 0.5000-0.0000 0.2322 ( 3766 PWs) bands (ev): -4.4571 -4.4571 -4.4571 -4.4571 3.8116 3.8116 3.8116 3.8116 4.9271 4.9271 4.9271 4.9271 5.0093 5.0093 5.0093 5.0093 5.6932 5.6932 5.6932 5.6932 5.8950 5.8950 5.8950 5.8950 6.2836 6.2836 6.2836 6.2836 6.4615 6.4615 6.4615 6.4615 6.5696 6.5696 6.5696 6.5696 6.7118 6.7118 6.7118 6.7118 6.8687 6.8687 6.8687 6.8687 7.1896 7.1896 7.1896 7.1896 7.5008 7.5008 7.5008 7.5008 9.1125 9.1125 9.1125 9.1125 10.8638 10.8638 10.8638 10.8638 13.5556 13.5556 13.5556 13.5556 15.3280 15.3280 15.3280 15.3280 k = 0.5000-0.0000 0.2193 ( 3758 PWs) bands (ev): -4.4579 -4.4579 -4.4579 -4.4579 3.8294 3.8294 3.8294 3.8294 4.9343 4.9343 4.9343 4.9343 5.0139 5.0139 5.0139 5.0139 5.6899 5.6899 5.6899 5.6899 5.8870 5.8870 5.8870 5.8870 6.2657 6.2657 6.2657 6.2657 6.4573 6.4573 6.4573 6.4573 6.5689 6.5689 6.5689 6.5689 6.7095 6.7095 6.7095 6.7095 6.8768 6.8768 6.8768 6.8768 7.1899 7.1899 7.1899 7.1899 7.5016 7.5016 7.5016 7.5016 9.1007 9.1007 9.1007 9.1007 10.8272 10.8272 10.8272 10.8272 13.5258 13.5258 13.5258 13.5258 15.4843 15.4843 15.4843 15.4843 k = 0.5000-0.0000 0.2064 ( 3748 PWs) bands (ev): -4.4588 -4.4588 -4.4588 -4.4588 3.8489 3.8489 3.8489 3.8489 4.9424 4.9424 4.9424 4.9424 5.0189 5.0189 5.0189 5.0189 5.6862 5.6862 5.6862 5.6862 5.8780 5.8780 5.8780 5.8780 6.2465 6.2465 6.2465 6.2465 6.4531 6.4531 6.4531 6.4531 6.5678 6.5678 6.5678 6.5678 6.7069 6.7069 6.7069 6.7069 6.8850 6.8850 6.8850 6.8850 7.1903 7.1903 7.1903 7.1903 7.5026 7.5026 7.5026 7.5026 9.0876 9.0876 9.0876 9.0876 10.7893 10.7893 10.7893 10.7893 13.4995 13.4995 13.4995 13.4995 15.6493 15.6493 15.6493 15.6493 k = 0.5000-0.0000 0.1935 ( 3752 PWs) bands (ev): -4.4598 -4.4598 -4.4598 -4.4598 3.8699 3.8699 3.8699 3.8699 4.9515 4.9515 4.9515 4.9515 5.0243 5.0243 5.0243 5.0243 5.6821 5.6821 5.6821 5.6821 5.8680 5.8680 5.8680 5.8680 6.2262 6.2262 6.2262 6.2262 6.4489 6.4489 6.4489 6.4489 6.5663 6.5663 6.5663 6.5663 6.7042 6.7042 6.7042 6.7042 6.8931 6.8931 6.8931 6.8931 7.1908 7.1908 7.1908 7.1908 7.5035 7.5035 7.5035 7.5035 9.0733 9.0733 9.0733 9.0733 10.7512 10.7512 10.7512 10.7512 13.4769 13.4769 13.4769 13.4769 15.8215 15.8215 15.8215 15.8215 k = 0.5000-0.0000 0.1806 ( 3760 PWs) bands (ev): -4.4608 -4.4608 -4.4608 -4.4608 3.8921 3.8921 3.8921 3.8921 4.9613 4.9613 4.9613 4.9613 5.0302 5.0302 5.0302 5.0302 5.6776 5.6776 5.6776 5.6776 5.8569 5.8569 5.8569 5.8569 6.2053 6.2053 6.2053 6.2053 6.4445 6.4445 6.4445 6.4445 6.5644 6.5644 6.5644 6.5644 6.7014 6.7014 6.7014 6.7014 6.9010 6.9010 6.9010 6.9010 7.1914 7.1914 7.1914 7.1914 7.5044 7.5044 7.5044 7.5044 9.0581 9.0581 9.0581 9.0581 10.7136 10.7136 10.7136 10.7136 13.4577 13.4577 13.4577 13.4577 15.9998 15.9998 15.9998 15.9998 k = 0.5000-0.0000 0.1677 ( 3754 PWs) bands (ev): -4.4618 -4.4618 -4.4618 -4.4618 3.9152 3.9152 3.9152 3.9152 4.9720 4.9720 4.9720 4.9720 5.0365 5.0365 5.0365 5.0365 5.6727 5.6727 5.6727 5.6727 5.8450 5.8450 5.8450 5.8450 6.1841 6.1841 6.1841 6.1841 6.4400 6.4400 6.4400 6.4400 6.5622 6.5622 6.5622 6.5622 6.6986 6.6986 6.6986 6.6986 6.9085 6.9085 6.9085 6.9085 7.1921 7.1921 7.1921 7.1921 7.5053 7.5053 7.5053 7.5053 9.0422 9.0422 9.0422 9.0422 10.6771 10.6771 10.6771 10.6771 13.4416 13.4416 13.4416 13.4416 16.1831 16.1831 16.1831 16.1831 k = 0.5000-0.0000 0.1548 ( 3758 PWs) bands (ev): -4.4628 -4.4628 -4.4628 -4.4628 3.9390 3.9390 3.9390 3.9390 4.9834 4.9834 4.9834 4.9834 5.0431 5.0431 5.0431 5.0431 5.6675 5.6675 5.6675 5.6675 5.8321 5.8321 5.8321 5.8321 6.1630 6.1630 6.1630 6.1630 6.4354 6.4354 6.4354 6.4354 6.5598 6.5598 6.5598 6.5598 6.6959 6.6959 6.6959 6.6959 6.9155 6.9155 6.9155 6.9155 7.1930 7.1930 7.1930 7.1930 7.5063 7.5063 7.5063 7.5063 9.0258 9.0258 9.0258 9.0258 10.6423 10.6423 10.6423 10.6423 13.4284 13.4284 13.4284 13.4284 16.3701 16.3701 16.3701 16.3701 k = 0.5000-0.0000 0.1419 ( 3758 PWs) bands (ev): -4.4638 -4.4638 -4.4638 -4.4638 3.9629 3.9629 3.9629 3.9629 4.9954 4.9954 4.9954 4.9954 5.0500 5.0500 5.0500 5.0500 5.6620 5.6620 5.6620 5.6620 5.8183 5.8183 5.8183 5.8183 6.1422 6.1422 6.1422 6.1422 6.4307 6.4307 6.4307 6.4307 6.5574 6.5574 6.5574 6.5574 6.6934 6.6934 6.6934 6.6934 6.9219 6.9219 6.9219 6.9219 7.1940 7.1940 7.1940 7.1940 7.5072 7.5072 7.5072 7.5072 9.0091 9.0091 9.0091 9.0091 10.6097 10.6097 10.6097 10.6097 13.4177 13.4177 13.4177 13.4177 16.5597 16.5597 16.5597 16.5597 k = 0.5000-0.0000 0.1290 ( 3746 PWs) bands (ev): -4.4648 -4.4648 -4.4648 -4.4648 3.9867 3.9867 3.9867 3.9867 5.0078 5.0078 5.0078 5.0078 5.0574 5.0574 5.0574 5.0574 5.6564 5.6564 5.6564 5.6564 5.8035 5.8035 5.8035 5.8035 6.1222 6.1222 6.1222 6.1222 6.4259 6.4259 6.4259 6.4259 6.5549 6.5549 6.5549 6.5549 6.6911 6.6911 6.6911 6.6911 6.9277 6.9277 6.9277 6.9277 7.1952 7.1952 7.1952 7.1952 7.5081 7.5081 7.5081 7.5081 8.9926 8.9926 8.9926 8.9926 10.5796 10.5796 10.5796 10.5796 13.4092 13.4092 13.4092 13.4092 16.7500 16.7500 16.7500 16.7500 k = 0.5000-0.0000 0.1161 ( 3740 PWs) bands (ev): -4.4658 -4.4658 -4.4658 -4.4658 4.0099 4.0099 4.0099 4.0099 5.0202 5.0202 5.0202 5.0202 5.0653 5.0653 5.0653 5.0653 5.6506 5.6506 5.6506 5.6506 5.7881 5.7881 5.7881 5.7881 6.1033 6.1033 6.1033 6.1033 6.4211 6.4211 6.4211 6.4211 6.5525 6.5525 6.5525 6.5525 6.6890 6.6890 6.6890 6.6890 6.9329 6.9329 6.9329 6.9329 7.1963 7.1963 7.1963 7.1963 7.5090 7.5090 7.5090 7.5090 8.9765 8.9765 8.9765 8.9765 10.5522 10.5522 10.5522 10.5522 13.4025 13.4025 13.4025 13.4025 16.9388 16.9388 16.9388 16.9388 k = 0.5000-0.0000 0.1032 ( 3740 PWs) bands (ev): -4.4667 -4.4667 -4.4667 -4.4667 4.0322 4.0322 4.0322 4.0322 5.0322 5.0322 5.0322 5.0322 5.0737 5.0737 5.0737 5.0737 5.6448 5.6448 5.6448 5.6448 5.7720 5.7720 5.7720 5.7720 6.0857 6.0857 6.0857 6.0857 6.4163 6.4163 6.4163 6.4163 6.5502 6.5502 6.5502 6.5502 6.6872 6.6872 6.6872 6.6872 6.9374 6.9374 6.9374 6.9374 7.1975 7.1975 7.1975 7.1975 7.5098 7.5098 7.5098 7.5098 8.9611 8.9611 8.9611 8.9611 10.5277 10.5277 10.5277 10.5277 13.3973 13.3973 13.3973 13.3973 17.1216 17.1216 17.1216 17.1216 k = 0.5000-0.0000 0.0903 ( 3738 PWs) bands (ev): -4.4675 -4.4675 -4.4675 -4.4675 4.0530 4.0530 4.0530 4.0530 5.0432 5.0432 5.0432 5.0432 5.0830 5.0830 5.0830 5.0830 5.6389 5.6389 5.6389 5.6389 5.7558 5.7558 5.7558 5.7558 6.0698 6.0698 6.0698 6.0698 6.4117 6.4117 6.4117 6.4117 6.5480 6.5480 6.5480 6.5480 6.6855 6.6855 6.6855 6.6855 6.9412 6.9412 6.9412 6.9412 7.1988 7.1988 7.1988 7.1988 7.5105 7.5105 7.5105 7.5105 8.9467 8.9467 8.9467 8.9467 10.5062 10.5062 10.5062 10.5062 13.3934 13.3934 13.3934 13.3934 17.2867 17.2867 17.2867 17.2867 k = 0.5000-0.0000 0.0774 ( 3746 PWs) bands (ev): -4.4683 -4.4683 -4.4683 -4.4683 4.0721 4.0721 4.0721 4.0721 5.0527 5.0527 5.0527 5.0527 5.0930 5.0930 5.0930 5.0930 5.6332 5.6332 5.6332 5.6332 5.7397 5.7397 5.7397 5.7397 6.0558 6.0558 6.0558 6.0558 6.4074 6.4074 6.4074 6.4074 6.5461 6.5461 6.5461 6.5461 6.6841 6.6841 6.6841 6.6841 6.9444 6.9444 6.9444 6.9444 7.1999 7.1999 7.1999 7.1999 7.5111 7.5111 7.5111 7.5111 8.9336 8.9336 8.9336 8.9336 10.4876 10.4876 10.4876 10.4876 13.3905 13.3905 13.3905 13.3905 17.4088 17.4088 17.4088 17.4088 k = 0.5000-0.0000 0.0645 ( 3742 PWs) bands (ev): -4.4689 -4.4689 -4.4689 -4.4689 4.0889 4.0889 4.0889 4.0889 5.0606 5.0606 5.0606 5.0606 5.1037 5.1037 5.1037 5.1037 5.6276 5.6276 5.6276 5.6276 5.7245 5.7245 5.7245 5.7245 6.0438 6.0438 6.0438 6.0438 6.4035 6.4035 6.4035 6.4035 6.5445 6.5445 6.5445 6.5445 6.6830 6.6830 6.6830 6.6830 6.9471 6.9471 6.9471 6.9471 7.2010 7.2010 7.2010 7.2010 7.5117 7.5117 7.5117 7.5117 8.9221 8.9221 8.9221 8.9221 10.4720 10.4720 10.4720 10.4720 13.3885 13.3885 13.3885 13.3885 17.4871 17.4871 17.4871 17.4871 k = 0.5000-0.0000 0.0516 ( 3742 PWs) bands (ev): -4.4695 -4.4695 -4.4695 -4.4695 4.1033 4.1033 4.1033 4.1033 5.0668 5.0668 5.0668 5.0668 5.1142 5.1142 5.1142 5.1142 5.6224 5.6224 5.6224 5.6224 5.7108 5.7108 5.7108 5.7108 6.0339 6.0339 6.0339 6.0339 6.4001 6.4001 6.4001 6.4001 6.5431 6.5431 6.5431 6.5431 6.6820 6.6820 6.6820 6.6820 6.9492 6.9492 6.9492 6.9492 7.2020 7.2020 7.2020 7.2020 7.5121 7.5121 7.5121 7.5121 8.9124 8.9124 8.9124 8.9124 10.4593 10.4593 10.4593 10.4593 13.3870 13.3870 13.3870 13.3870 17.5451 17.5451 17.5451 17.5451 k = 0.5000-0.0000 0.0387 ( 3742 PWs) bands (ev): -4.4699 -4.4699 -4.4699 -4.4699 4.1147 4.1147 4.1147 4.1147 5.0714 5.0714 5.0714 5.0714 5.1236 5.1236 5.1236 5.1236 5.6178 5.6178 5.6178 5.6178 5.6993 5.6993 5.6993 5.6993 6.0262 6.0262 6.0262 6.0262 6.3974 6.3974 6.3974 6.3974 6.5421 6.5421 6.5421 6.5421 6.6814 6.6814 6.6814 6.6814 6.9508 6.9508 6.9508 6.9508 7.2027 7.2027 7.2027 7.2027 7.5125 7.5125 7.5125 7.5125 8.9046 8.9046 8.9046 8.9046 10.4495 10.4495 10.4495 10.4495 13.3861 13.3861 13.3861 13.3861 17.5910 17.5910 17.5910 17.5910 k = 0.5000-0.0000 0.0258 ( 3742 PWs) bands (ev): -4.4702 -4.4702 -4.4702 -4.4702 4.1231 4.1231 4.1231 4.1231 5.0746 5.0746 5.0746 5.0746 5.1312 5.1312 5.1312 5.1312 5.6140 5.6140 5.6140 5.6140 5.6908 5.6908 5.6908 5.6908 6.0207 6.0207 6.0207 6.0207 6.3953 6.3953 6.3953 6.3953 6.5413 6.5413 6.5413 6.5413 6.6809 6.6809 6.6809 6.6809 6.9519 6.9519 6.9519 6.9519 7.2033 7.2033 7.2033 7.2033 7.5127 7.5127 7.5127 7.5127 8.8990 8.8990 8.8990 8.8990 10.4426 10.4426 10.4426 10.4426 13.3855 13.3855 13.3855 13.3855 17.6254 17.6254 17.6254 17.6254 k = 0.5000-0.0000 0.0129 ( 3750 PWs) bands (ev): -4.4704 -4.4704 -4.4704 -4.4704 4.1282 4.1282 4.1282 4.1282 5.0765 5.0765 5.0765 5.0765 5.1361 5.1361 5.1361 5.1361 5.6114 5.6114 5.6114 5.6114 5.6855 5.6855 5.6855 5.6855 6.0174 6.0174 6.0174 6.0174 6.3941 6.3941 6.3941 6.3941 6.5408 6.5408 6.5408 6.5408 6.6805 6.6805 6.6805 6.6805 6.9525 6.9525 6.9525 6.9525 7.2036 7.2036 7.2036 7.2036 7.5129 7.5129 7.5129 7.5129 8.8955 8.8955 8.8955 8.8955 10.4384 10.4384 10.4384 10.4384 13.3851 13.3851 13.3851 13.3851 17.6471 17.6471 17.6471 17.6471 k = 0.5000-0.0000-0.0000 ( 3752 PWs) bands (ev): -4.4705 -4.4705 -4.4705 -4.4705 4.1299 4.1299 4.1299 4.1299 5.0772 5.0772 5.0772 5.0772 5.1378 5.1378 5.1378 5.1378 5.6106 5.6106 5.6106 5.6106 5.6837 5.6837 5.6837 5.6837 6.0162 6.0162 6.0162 6.0162 6.3936 6.3936 6.3936 6.3936 6.5406 6.5406 6.5406 6.5406 6.6804 6.6804 6.6804 6.6804 6.9527 6.9527 6.9527 6.9527 7.2038 7.2038 7.2038 7.2038 7.5129 7.5129 7.5129 7.5129 8.8944 8.8944 8.8944 8.8944 10.4370 10.4370 10.4370 10.4370 13.3850 13.3850 13.3850 13.3850 17.6545 17.6545 17.6545 17.6545 k = 0.5000 0.4957-0.0000 ( 3768 PWs) bands (ev): -3.7920 -3.7920 -3.7920 -3.7920 2.2099 2.2099 2.2099 2.2099 4.4300 4.4300 4.4300 4.4300 4.5145 4.5145 4.5145 4.5145 5.3541 5.3541 5.3541 5.3541 5.4844 5.4844 5.4844 5.4844 6.1824 6.1824 6.1824 6.1824 6.2993 6.2993 6.2993 6.2993 6.4804 6.4804 6.4804 6.4804 7.0091 7.0091 7.0091 7.0091 7.2628 7.2628 7.2628 7.2628 7.4828 7.4828 7.4828 7.4828 8.6673 8.6673 8.6673 8.6673 9.9619 9.9619 9.9619 9.9619 11.2358 11.2358 11.2358 11.2358 11.4054 11.4054 11.4054 11.4054 17.9964 17.9964 17.9964 17.9964 k = 0.5000 0.4957 0.0129 ( 3760 PWs) bands (ev): -3.7919 -3.7919 -3.7919 -3.7919 2.2096 2.2096 2.2096 2.2096 4.4301 4.4301 4.4301 4.4301 4.5131 4.5131 4.5131 4.5131 5.3539 5.3539 5.3539 5.3539 5.4850 5.4850 5.4850 5.4850 6.1829 6.1829 6.1829 6.1829 6.2998 6.2998 6.2998 6.2998 6.4809 6.4809 6.4809 6.4809 7.0093 7.0093 7.0093 7.0093 7.2624 7.2624 7.2624 7.2624 7.4830 7.4830 7.4830 7.4830 8.6686 8.6686 8.6686 8.6686 9.9522 9.9522 9.9522 9.9522 11.2392 11.2392 11.2392 11.2392 11.4166 11.4166 11.4166 11.4166 17.9913 17.9913 17.9913 17.9913 k = 0.5000 0.4957 0.0258 ( 3748 PWs) bands (ev): -3.7917 -3.7917 -3.7917 -3.7917 2.2089 2.2089 2.2089 2.2089 4.4303 4.4303 4.4303 4.4303 4.5092 4.5092 4.5092 4.5092 5.3535 5.3535 5.3535 5.3535 5.4868 5.4868 5.4868 5.4868 6.1845 6.1845 6.1845 6.1845 6.3010 6.3010 6.3010 6.3010 6.4825 6.4825 6.4825 6.4825 7.0096 7.0096 7.0096 7.0096 7.2611 7.2611 7.2611 7.2611 7.4836 7.4836 7.4836 7.4836 8.6724 8.6724 8.6724 8.6724 9.9237 9.9237 9.9237 9.9237 11.2492 11.2492 11.2492 11.2492 11.4494 11.4494 11.4494 11.4494 17.9758 17.9758 17.9758 17.9758 k = 0.5000 0.4957 0.0387 ( 3740 PWs) bands (ev): -3.7914 -3.7914 -3.7914 -3.7914 2.2076 2.2076 2.2076 2.2076 4.4302 4.4302 4.4302 4.4302 4.5032 4.5032 4.5032 4.5032 5.3527 5.3527 5.3527 5.3527 5.4898 5.4898 5.4898 5.4898 6.1869 6.1869 6.1869 6.1869 6.3030 6.3030 6.3030 6.3030 6.4850 6.4850 6.4850 6.4850 7.0102 7.0102 7.0102 7.0102 7.2590 7.2590 7.2590 7.2590 7.4845 7.4845 7.4845 7.4845 8.6786 8.6786 8.6786 8.6786 9.8791 9.8791 9.8791 9.8791 11.2659 11.2659 11.2659 11.2659 11.5013 11.5013 11.5013 11.5013 17.9495 17.9495 17.9495 17.9495 k = 0.5000 0.4957 0.0516 ( 3736 PWs) bands (ev): -3.7909 -3.7909 -3.7909 -3.7909 2.2059 2.2059 2.2059 2.2059 4.4289 4.4289 4.4289 4.4289 4.4959 4.4959 4.4959 4.4959 5.3516 5.3516 5.3516 5.3516 5.4940 5.4940 5.4940 5.4940 6.1901 6.1901 6.1901 6.1901 6.3057 6.3057 6.3057 6.3057 6.4886 6.4886 6.4886 6.4886 7.0110 7.0110 7.0110 7.0110 7.2560 7.2560 7.2560 7.2560 7.4856 7.4856 7.4856 7.4856 8.6870 8.6870 8.6870 8.6870 9.8215 9.8215 9.8215 9.8215 11.2893 11.2893 11.2893 11.2893 11.5691 11.5691 11.5691 11.5691 17.9107 17.9107 17.9107 17.9107 k = 0.5000 0.4957 0.0645 ( 3736 PWs) bands (ev): -3.7902 -3.7902 -3.7902 -3.7902 2.2038 2.2038 2.2038 2.2038 4.4252 4.4252 4.4252 4.4252 4.4890 4.4890 4.4890 4.4890 5.3504 5.3504 5.3504 5.3504 5.4993 5.4993 5.4993 5.4993 6.1936 6.1936 6.1936 6.1936 6.3091 6.3091 6.3091 6.3091 6.4934 6.4934 6.4934 6.4934 7.0119 7.0119 7.0119 7.0119 7.2524 7.2524 7.2524 7.2524 7.4872 7.4872 7.4872 7.4872 8.6975 8.6975 8.6975 8.6975 9.7541 9.7541 9.7541 9.7541 11.3193 11.3193 11.3193 11.3193 11.6495 11.6495 11.6495 11.6495 17.8526 17.8526 17.8526 17.8526 k = 0.5000 0.4957 0.0774 ( 3736 PWs) bands (ev): -3.7895 -3.7895 -3.7895 -3.7895 2.2013 2.2013 2.2013 2.2013 4.4176 4.4176 4.4176 4.4176 4.4843 4.4843 4.4843 4.4843 5.3491 5.3491 5.3491 5.3491 5.5056 5.5056 5.5056 5.5056 6.1972 6.1972 6.1972 6.1972 6.3130 6.3130 6.3130 6.3130 6.4992 6.4992 6.4992 6.4992 7.0130 7.0130 7.0130 7.0130 7.2481 7.2481 7.2481 7.2481 7.4890 7.4890 7.4890 7.4890 8.7097 8.7097 8.7097 8.7097 9.6798 9.6798 9.6798 9.6798 11.3561 11.3561 11.3561 11.3561 11.7397 11.7397 11.7397 11.7397 17.7513 17.7513 17.7513 17.7513 k = 0.5000 0.4957 0.0903 ( 3728 PWs) bands (ev): -3.7887 -3.7887 -3.7887 -3.7887 2.1984 2.1984 2.1984 2.1984 4.4052 4.4052 4.4052 4.4052 4.4827 4.4827 4.4827 4.4827 5.3476 5.3476 5.3476 5.3476 5.5131 5.5131 5.5131 5.5131 6.2009 6.2009 6.2009 6.2009 6.3175 6.3175 6.3175 6.3175 6.5063 6.5063 6.5063 6.5063 7.0142 7.0142 7.0142 7.0142 7.2434 7.2434 7.2434 7.2434 7.4912 7.4912 7.4912 7.4912 8.7234 8.7234 8.7234 8.7234 9.6009 9.6009 9.6009 9.6009 11.3995 11.3995 11.3995 11.3995 11.8372 11.8372 11.8372 11.8372 17.5937 17.5937 17.5937 17.5937 k = 0.5000 0.4957 0.1032 ( 3728 PWs) bands (ev): -3.7877 -3.7877 -3.7877 -3.7877 2.1952 2.1952 2.1952 2.1952 4.3887 4.3887 4.3887 4.3887 4.4841 4.4841 4.4841 4.4841 5.3462 5.3462 5.3462 5.3462 5.5214 5.5214 5.5214 5.5214 6.2043 6.2043 6.2043 6.2043 6.3221 6.3221 6.3221 6.3221 6.5145 6.5145 6.5145 6.5145 7.0155 7.0155 7.0155 7.0155 7.2384 7.2384 7.2384 7.2384 7.4937 7.4937 7.4937 7.4937 8.7382 8.7382 8.7382 8.7382 9.5193 9.5193 9.5193 9.5193 11.4496 11.4496 11.4496 11.4496 11.9400 11.9400 11.9400 11.9400 17.4095 17.4095 17.4095 17.4095 k = 0.5000 0.4957 0.1161 ( 3740 PWs) bands (ev): -3.7867 -3.7867 -3.7867 -3.7867 2.1917 2.1917 2.1917 2.1917 4.3693 4.3693 4.3693 4.3693 4.4874 4.4874 4.4874 4.4874 5.3447 5.3447 5.3447 5.3447 5.5305 5.5305 5.5305 5.5305 6.2074 6.2074 6.2074 6.2074 6.3269 6.3269 6.3269 6.3269 6.5237 6.5237 6.5237 6.5237 7.0168 7.0168 7.0168 7.0168 7.2332 7.2332 7.2332 7.2332 7.4965 7.4965 7.4965 7.4965 8.7538 8.7538 8.7538 8.7538 9.4365 9.4365 9.4365 9.4365 11.5062 11.5062 11.5062 11.5062 12.0466 12.0466 12.0466 12.0466 17.2149 17.2149 17.2149 17.2149 k = 0.5000 0.4957 0.1290 ( 3740 PWs) bands (ev): -3.7857 -3.7857 -3.7857 -3.7857 2.1881 2.1881 2.1881 2.1881 4.3480 4.3480 4.3480 4.3480 4.4920 4.4920 4.4920 4.4920 5.3433 5.3433 5.3433 5.3433 5.5405 5.5405 5.5405 5.5405 6.2101 6.2101 6.2101 6.2101 6.3316 6.3316 6.3316 6.3316 6.5340 6.5340 6.5340 6.5340 7.0181 7.0181 7.0181 7.0181 7.2279 7.2279 7.2279 7.2279 7.4996 7.4996 7.4996 7.4996 8.7698 8.7698 8.7698 8.7698 9.3537 9.3537 9.3537 9.3537 11.5694 11.5694 11.5694 11.5694 12.1557 12.1557 12.1557 12.1557 17.0155 17.0155 17.0155 17.0155 k = 0.5000 0.4957 0.1419 ( 3740 PWs) bands (ev): -3.7846 -3.7846 -3.7846 -3.7846 2.1844 2.1844 2.1844 2.1844 4.3257 4.3257 4.3257 4.3257 4.4974 4.4974 4.4974 4.4974 5.3420 5.3420 5.3420 5.3420 5.5512 5.5512 5.5512 5.5512 6.2124 6.2124 6.2124 6.2124 6.3361 6.3361 6.3361 6.3361 6.5452 6.5452 6.5452 6.5452 7.0193 7.0193 7.0193 7.0193 7.2228 7.2228 7.2228 7.2228 7.5031 7.5031 7.5031 7.5031 8.7859 8.7859 8.7859 8.7859 9.2720 9.2720 9.2720 9.2720 11.6388 11.6388 11.6388 11.6388 12.2660 12.2660 12.2660 12.2660 16.8140 16.8140 16.8140 16.8140 k = 0.5000 0.4957 0.1548 ( 3736 PWs) bands (ev): -3.7834 -3.7834 -3.7834 -3.7834 2.1806 2.1806 2.1806 2.1806 4.3028 4.3028 4.3028 4.3028 4.5033 4.5033 4.5033 4.5033 5.3407 5.3407 5.3407 5.3407 5.5624 5.5624 5.5624 5.5624 6.2144 6.2144 6.2144 6.2144 6.3402 6.3402 6.3402 6.3402 6.5570 6.5570 6.5570 6.5570 7.0203 7.0203 7.0203 7.0203 7.2179 7.2179 7.2179 7.2179 7.5070 7.5070 7.5070 7.5070 8.8015 8.8015 8.8015 8.8015 9.1924 9.1924 9.1924 9.1924 11.7142 11.7142 11.7142 11.7142 12.3766 12.3766 12.3766 12.3766 16.6123 16.6123 16.6123 16.6123 k = 0.5000 0.4957 0.1677 ( 3732 PWs) bands (ev): -3.7822 -3.7822 -3.7822 -3.7822 2.1768 2.1768 2.1768 2.1768 4.2800 4.2800 4.2800 4.2800 4.5093 4.5093 4.5093 4.5093 5.3396 5.3396 5.3396 5.3396 5.5740 5.5740 5.5740 5.5740 6.2161 6.2161 6.2161 6.2161 6.3439 6.3439 6.3439 6.3439 6.5692 6.5692 6.5692 6.5692 7.0212 7.0212 7.0212 7.0212 7.2135 7.2135 7.2135 7.2135 7.5111 7.5111 7.5111 7.5111 8.8160 8.8160 8.8160 8.8160 9.1157 9.1157 9.1157 9.1157 11.7953 11.7953 11.7953 11.7953 12.4865 12.4865 12.4865 12.4865 16.4119 16.4119 16.4119 16.4119 k = 0.5000 0.4957 0.1806 ( 3732 PWs) bands (ev): -3.7811 -3.7811 -3.7811 -3.7811 2.1730 2.1730 2.1730 2.1730 4.2577 4.2577 4.2577 4.2577 4.5153 4.5153 4.5153 4.5153 5.3386 5.3386 5.3386 5.3386 5.5858 5.5858 5.5858 5.5858 6.2174 6.2174 6.2174 6.2174 6.3473 6.3473 6.3473 6.3473 6.5816 6.5816 6.5816 6.5816 7.0216 7.0216 7.0216 7.0216 7.2096 7.2096 7.2096 7.2096 7.5156 7.5156 7.5156 7.5156 8.8285 8.8285 8.8285 8.8285 9.0436 9.0436 9.0436 9.0436 11.8814 11.8814 11.8814 11.8814 12.5947 12.5947 12.5947 12.5947 16.2141 16.2141 16.2141 16.2141 k = 0.5000 0.4957 0.1935 ( 3736 PWs) bands (ev): -3.7800 -3.7800 -3.7800 -3.7800 2.1694 2.1694 2.1694 2.1694 4.2362 4.2362 4.2362 4.2362 4.5212 4.5212 4.5212 4.5212 5.3376 5.3376 5.3376 5.3376 5.5976 5.5976 5.5976 5.5976 6.2185 6.2185 6.2185 6.2185 6.3502 6.3502 6.3502 6.3502 6.5940 6.5940 6.5940 6.5940 7.0217 7.0217 7.0217 7.0217 7.2063 7.2063 7.2063 7.2063 7.5204 7.5204 7.5204 7.5204 8.8362 8.8362 8.8362 8.8362 8.9790 8.9790 8.9790 8.9790 11.9720 11.9720 11.9720 11.9720 12.7001 12.7001 12.7001 12.7001 16.0202 16.0202 16.0202 16.0202 k = 0.5000 0.4957 0.2064 ( 3732 PWs) bands (ev): -3.7789 -3.7789 -3.7789 -3.7789 2.1659 2.1659 2.1659 2.1659 4.2158 4.2158 4.2158 4.2158 4.5268 4.5268 4.5268 4.5268 5.3367 5.3367 5.3367 5.3367 5.6093 5.6093 5.6093 5.6093 6.2194 6.2194 6.2194 6.2194 6.3526 6.3526 6.3526 6.3526 6.6060 6.6060 6.6060 6.6060 7.0214 7.0214 7.0214 7.0214 7.2037 7.2037 7.2037 7.2037 7.5254 7.5254 7.5254 7.5254 8.8312 8.8312 8.8312 8.8312 8.9303 8.9303 8.9303 8.9303 12.0660 12.0660 12.0660 12.0660 12.8019 12.8019 12.8019 12.8019 15.8316 15.8316 15.8316 15.8316 k = 0.5000 0.4957 0.2193 ( 3748 PWs) bands (ev): -3.7779 -3.7779 -3.7779 -3.7779 2.1626 2.1626 2.1626 2.1626 4.1968 4.1968 4.1968 4.1968 4.5320 4.5320 4.5320 4.5320 5.3360 5.3360 5.3360 5.3360 5.6205 5.6205 5.6205 5.6205 6.2200 6.2200 6.2200 6.2200 6.3547 6.3547 6.3547 6.3547 6.6176 6.6176 6.6176 6.6176 7.0206 7.0206 7.0206 7.0206 7.2016 7.2016 7.2016 7.2016 7.5306 7.5306 7.5306 7.5306 8.8008 8.8008 8.8008 8.8008 8.9105 8.9105 8.9105 8.9105 12.1624 12.1624 12.1624 12.1624 12.8987 12.8987 12.8987 12.8987 15.6496 15.6496 15.6496 15.6496 k = 0.5000 0.4957 0.2322 ( 3752 PWs) bands (ev): -3.7770 -3.7770 -3.7770 -3.7770 2.1596 2.1596 2.1596 2.1596 4.1795 4.1795 4.1795 4.1795 4.5368 4.5368 4.5368 4.5368 5.3353 5.3353 5.3353 5.3353 5.6312 5.6312 5.6312 5.6312 6.2204 6.2204 6.2204 6.2204 6.3564 6.3564 6.3564 6.3564 6.6284 6.6284 6.6284 6.6284 7.0195 7.0195 7.0195 7.0195 7.2003 7.2003 7.2003 7.2003 7.5359 7.5359 7.5359 7.5359 8.7550 8.7550 8.7550 8.7550 8.9103 8.9103 8.9103 8.9103 12.2595 12.2595 12.2595 12.2595 12.9895 12.9895 12.9895 12.9895 15.4762 15.4762 15.4762 15.4762 k = 0.5000 0.4957 0.2451 ( 3760 PWs) bands (ev): -3.7761 -3.7761 -3.7761 -3.7761 2.1569 2.1569 2.1569 2.1569 4.1641 4.1641 4.1641 4.1641 4.5411 4.5411 4.5411 4.5411 5.3347 5.3347 5.3347 5.3347 5.6410 5.6410 5.6410 5.6410 6.2208 6.2208 6.2208 6.2208 6.3579 6.3579 6.3579 6.3579 6.6383 6.6383 6.6383 6.6383 7.0181 7.0181 7.0181 7.0181 7.1995 7.1995 7.1995 7.1995 7.5412 7.5412 7.5412 7.5412 8.7082 8.7082 8.7082 8.7082 8.9157 8.9157 8.9157 8.9157 12.3554 12.3554 12.3554 12.3554 13.0729 13.0729 13.0729 13.0729 15.3134 15.3134 15.3134 15.3134 k = 0.5000 0.4957 0.2580 ( 3764 PWs) bands (ev): -3.7754 -3.7754 -3.7754 -3.7754 2.1546 2.1546 2.1546 2.1546 4.1508 4.1508 4.1508 4.1508 4.5448 4.5448 4.5448 4.5448 5.3342 5.3342 5.3342 5.3342 5.6497 5.6497 5.6497 5.6497 6.2210 6.2210 6.2210 6.2210 6.3590 6.3590 6.3590 6.3590 6.6470 6.6470 6.6470 6.6470 7.0166 7.0166 7.0166 7.0166 7.1992 7.1992 7.1992 7.1992 7.5462 7.5462 7.5462 7.5462 8.6655 8.6655 8.6655 8.6655 8.9221 8.9221 8.9221 8.9221 12.4474 12.4474 12.4474 12.4474 13.1475 13.1475 13.1475 13.1475 15.1641 15.1641 15.1641 15.1641 k = 0.5000 0.4957 0.2709 ( 3760 PWs) bands (ev): -3.7747 -3.7747 -3.7747 -3.7747 2.1526 2.1526 2.1526 2.1526 4.1397 4.1397 4.1397 4.1397 4.5479 4.5479 4.5479 4.5479 5.3338 5.3338 5.3338 5.3338 5.6572 5.6572 5.6572 5.6572 6.2212 6.2212 6.2212 6.2212 6.3599 6.3599 6.3599 6.3599 6.6545 6.6545 6.6545 6.6545 7.0151 7.0151 7.0151 7.0151 7.1992 7.1992 7.1992 7.1992 7.5507 7.5507 7.5507 7.5507 8.6290 8.6290 8.6290 8.6290 8.9279 8.9279 8.9279 8.9279 12.5321 12.5321 12.5321 12.5321 13.2119 13.2119 13.2119 13.2119 15.0317 15.0317 15.0317 15.0317 k = 0.5000 0.4957 0.2838 ( 3760 PWs) bands (ev): -3.7742 -3.7742 -3.7742 -3.7742 2.1511 2.1511 2.1511 2.1511 4.1309 4.1309 4.1309 4.1309 4.5503 4.5503 4.5503 4.5503 5.3335 5.3335 5.3335 5.3335 5.6633 5.6633 5.6633 5.6633 6.2213 6.2213 6.2213 6.2213 6.3606 6.3606 6.3606 6.3606 6.6605 6.6605 6.6605 6.6605 7.0138 7.0138 7.0138 7.0138 7.1994 7.1994 7.1994 7.1994 7.5546 7.5546 7.5546 7.5546 8.5996 8.5996 8.5996 8.5996 8.9328 8.9328 8.9328 8.9328 12.6054 12.6054 12.6054 12.6054 13.2644 13.2644 13.2644 13.2644 14.9205 14.9205 14.9205 14.9205 k = 0.5000 0.4957 0.2967 ( 3748 PWs) bands (ev): -3.7739 -3.7739 -3.7739 -3.7739 2.1499 2.1499 2.1499 2.1499 4.1246 4.1246 4.1246 4.1246 4.5521 4.5521 4.5521 4.5521 5.3334 5.3334 5.3334 5.3334 5.6678 5.6678 5.6678 5.6678 6.2214 6.2214 6.2214 6.2214 6.3611 6.3611 6.3611 6.3611 6.6649 6.6649 6.6649 6.6649 7.0128 7.0128 7.0128 7.0128 7.1997 7.1997 7.1997 7.1997 7.5576 7.5576 7.5576 7.5576 8.5781 8.5781 8.5781 8.5781 8.9364 8.9364 8.9364 8.9364 12.6627 12.6627 12.6627 12.6627 13.3036 13.3036 13.3036 13.3036 14.8355 14.8355 14.8355 14.8355 k = 0.5000 0.4957 0.3096 ( 3744 PWs) bands (ev): -3.7737 -3.7737 -3.7737 -3.7737 2.1493 2.1493 2.1493 2.1493 4.1208 4.1208 4.1208 4.1208 4.5532 4.5532 4.5532 4.5532 5.3332 5.3332 5.3332 5.3332 5.6705 5.6705 5.6705 5.6705 6.2215 6.2215 6.2215 6.2215 6.3614 6.3614 6.3614 6.3614 6.6676 6.6676 6.6676 6.6676 7.0121 7.0121 7.0121 7.0121 7.1999 7.1999 7.1999 7.1999 7.5595 7.5595 7.5595 7.5595 8.5650 8.5650 8.5650 8.5650 8.9386 8.9386 8.9386 8.9386 12.6995 12.6995 12.6995 12.6995 13.3279 13.3279 13.3279 13.3279 14.7818 14.7818 14.7818 14.7818 k = 0.5000 0.4957 0.3225 ( 3744 PWs) bands (ev): -3.7736 -3.7736 -3.7736 -3.7736 2.1490 2.1490 2.1490 2.1490 4.1195 4.1195 4.1195 4.1195 4.5535 4.5535 4.5535 4.5535 5.3332 5.3332 5.3332 5.3332 5.6714 5.6714 5.6714 5.6714 6.2215 6.2215 6.2215 6.2215 6.3615 6.3615 6.3615 6.3615 6.6685 6.6685 6.6685 6.6685 7.0118 7.0118 7.0118 7.0118 7.2000 7.2000 7.2000 7.2000 7.5602 7.5602 7.5602 7.5602 8.5606 8.5606 8.5606 8.5606 8.9393 8.9393 8.9393 8.9393 12.7122 12.7122 12.7122 12.7122 13.3362 13.3362 13.3362 13.3362 14.7634 14.7634 14.7634 14.7634 Writing output data file CuAgSe.save init_run : 0.26s CPU 0.36s WALL ( 1 calls) electrons : 203.01s CPU 206.36s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.02s CPU 0.02s WALL ( 1 calls) Called by electrons: c_bands : 203.00s CPU 206.35s 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 : 0.07s CPU 0.08s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.06s CPU 0.07s WALL ( 424 calls) cegterg : 183.63s CPU 186.23s WALL ( 476 calls) Called by sum_band: Called by *egterg: h_psi : 99.66s CPU 101.61s WALL ( 7885 calls) s_psi : 8.07s CPU 8.07s WALL ( 7885 calls) g_psi : 0.32s CPU 0.29s WALL ( 6985 calls) cdiaghg : 68.86s CPU 69.73s WALL ( 7409 calls) cegterg:over : 8.93s CPU 9.03s WALL ( 6985 calls) cegterg:upda : 6.33s CPU 6.62s WALL ( 6985 calls) cegterg:last : 4.14s CPU 4.19s WALL ( 1324 calls) cdiaghg:chol : 3.86s CPU 3.99s WALL ( 7409 calls) cdiaghg:inve : 2.80s CPU 2.82s WALL ( 7409 calls) cdiaghg:para : 4.57s CPU 4.60s WALL ( 14818 calls) Called by h_psi: h_psi:vloc : 81.60s CPU 83.36s WALL ( 7885 calls) h_psi:vnl : 17.71s CPU 17.92s WALL ( 7885 calls) add_vuspsi : 9.61s CPU 9.69s WALL ( 7885 calls) General routines calbec : 8.08s CPU 8.21s WALL ( 7885 calls) fft : 0.00s CPU 0.00s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 77.22s CPU 78.83s WALL ( 1138156 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.27s CPU 0.34s WALL ( 848 calls) Parallel routines fft_scatter : 30.30s CPU 31.61s WALL ( 1138179 calls) PWSCF : 3m47.24s CPU 4m 6.64s WALL This run was terminated on: 18:23:28 24Dec2016 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=