Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 17:54:26 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: ./CuNi2Sb.save/ file Sb.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S renormalized file Ni.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized 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 28 21 6 598 391 63 Max 29 22 7 602 408 65 Sum 1027 769 235 21595 14331 2277 bravais-lattice index = 14 lattice parameter (alat) = 7.8304 a.u. unit-cell volume = 339.4919 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 3 number of electrons = 36.00 number of Kohn-Sham states= 44 kinetic-energy cutoff = 46.0000 Ry charge density cutoff = 242.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.830355 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.500000 celldm(5)= 0.500000 celldm(6)= 0.500000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.500000 0.866025 0.000000 ) a(3) = ( 0.500000 0.288675 0.816497 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.577350 -0.408248 ) b(2) = ( 0.000000 1.154701 -0.408248 ) b(3) = ( 0.000000 0.000000 1.224745 ) PseudoPot. # 1 for Sb read from file: /users/gautes/Pseudo/Sb.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 6eab79124e5b154cf38452ae12125a85 Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1243 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Ni read from file: /users/gautes/Pseudo/Ni.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 9d95a5a85785a32f0d1fefdc4874c578 Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1195 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 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 atomic species valence mass pseudopotential Sb 5.00 121.76000 Sb( 1.00) Ni 10.00 58.69340 Ni( 1.00) Cu 11.00 63.54600 Cu( 1.00) 12 Sym. Ops., with inversion, found 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 [1,0,0] cryst. s( 2) = ( 1 0 0 ) ( 1 -1 0 ) ( 1 0 -1 ) cart. s( 2) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 3 120 deg rotation - cryst. axis [0,0,1] cryst. s( 3) = ( -1 1 0 ) ( -1 0 0 ) ( -1 0 1 ) cart. s( 3) = ( -0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 4 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 4) = ( 0 -1 0 ) ( 1 -1 0 ) ( 0 -1 1 ) cart. s( 4) = ( -0.5000000 0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 5 180 deg rotation - cryst. axis [0,1,0] cryst. s( 5) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s( 5) = ( -0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 6 180 deg rotation - cryst. axis [1,1,0] cryst. s( 6) = ( -1 1 0 ) ( 0 1 0 ) ( 0 1 -1 ) cart. s( 6) = ( -0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 7 inversion cryst. s( 7) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 7) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 8 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 8) = ( -1 0 0 ) ( -1 1 0 ) ( -1 0 1 ) cart. s( 8) = ( -1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 9 inv. 120 deg rotation - cryst. axis [0,0,1] cryst. s( 9) = ( 1 -1 0 ) ( 1 0 0 ) ( 1 0 -1 ) cart. s( 9) = ( 0.5000000 0.8660254 -0.0000000 ) ( -0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 10 inv. 120 deg rotation - cryst. axis [0,0,-1] cryst. s(10) = ( 0 1 0 ) ( -1 1 0 ) ( 0 1 -1 ) cart. s(10) = ( 0.5000000 -0.8660254 -0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 11 inv. 180 deg rotation - cryst. axis [0,1,0] cryst. s(11) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s(11) = ( 0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 12 inv. 180 deg rotation - cryst. axis [1,1,0] cryst. s(12) = ( 1 -1 0 ) ( 0 -1 0 ) ( 0 -1 1 ) cart. s(12) = ( 0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group D_3d (-3m) there are 12 classes and 6 irreducible representations the character table: E -E 2C3 -2C3 3C2' -3C2' i -i 2S6 -2S6 3s_v -3s_v G_4+ 2.00 -2.00 1.00 -1.00 0.00 0.00 2.00 -2.00 1.00 -1.00 0.00 0.00 G_5+ 1.00 -1.00 -1.00 1.00 0.00 0.00 1.00 -1.00 -1.00 1.00 0.00 0.00 G_6+ 1.00 -1.00 -1.00 1.00 0.00 0.00 1.00 -1.00 -1.00 1.00 0.00 0.00 G_4- 2.00 -2.00 1.00 -1.00 0.00 0.00 -2.00 2.00 -1.00 1.00 0.00 0.00 G_5- 1.00 -1.00 -1.00 1.00 0.00 0.00 -1.00 1.00 1.00 -1.00 0.00 0.00 G_6- 1.00 -1.00 -1.00 1.00 0.00 0.00 -1.00 1.00 1.00 -1.00 0.00 0.00 imaginary part E -E 2C3 -2C3 3C2' -3C2' i -i 2S6 -2S6 3s_v -3s_v G_4+ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 G_5+ 0.00 0.00 0.00 0.00 1.00 -1.00 0.00 0.00 0.00 0.00 1.00 -1.00 G_6+ 0.00 0.00 0.00 0.00 -1.00 1.00 0.00 0.00 0.00 0.00 -1.00 1.00 G_4- 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 G_5- 0.00 0.00 0.00 0.00 1.00 -1.00 0.00 0.00 0.00 0.00 -1.00 1.00 G_6- 0.00 0.00 0.00 0.00 -1.00 1.00 0.00 0.00 0.00 0.00 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E 2C3 3 4 120 deg rotation - cryst. axis [0,0,1] -2C3 -3 -4 120 deg rotation - cryst. axis [0,0,1] E 3C2' 2 5 -6 180 deg rotation - cart. axis [1,0,0] 3C2' 6 -5 -2 180 deg rotation - cryst. axis [1,1,0] i 7 inversion -i -7 inversion E 2S6 9 10 inv. 120 deg rotation - cryst. axis [0,0,1] -2S6 -9 -10 inv. 120 deg rotation - cryst. axis [0,0,1] E 3s_v 8 11 -12 inv. 180 deg rotation - cart. axis [1,0,0] 3s_v 12 -11 -8 inv. 180 deg rotation - cryst. axis [1,1,0] Cartesian axes number of k points= 356 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028090 k( 2) = ( 0.0092593 -0.0053458 0.0075602), wk = 0.0028090 k( 3) = ( 0.0185185 -0.0106917 0.0151203), wk = 0.0028090 k( 4) = ( 0.0277778 -0.0160375 0.0226805), wk = 0.0028090 k( 5) = ( 0.0370370 -0.0213833 0.0302406), wk = 0.0028090 k( 6) = ( 0.0462963 -0.0267292 0.0378008), wk = 0.0028090 k( 7) = ( 0.0555556 -0.0320750 0.0453609), wk = 0.0028090 k( 8) = ( 0.0648148 -0.0374208 0.0529211), wk = 0.0028090 k( 9) = ( 0.0740741 -0.0427667 0.0604812), wk = 0.0028090 k( 10) = ( 0.0833333 -0.0481125 0.0680414), wk = 0.0028090 k( 11) = ( 0.0925926 -0.0534584 0.0756015), wk = 0.0028090 k( 12) = ( 0.1018518 -0.0588042 0.0831617), wk = 0.0028090 k( 13) = ( 0.1111111 -0.0641500 0.0907218), wk = 0.0028090 k( 14) = ( 0.1203704 -0.0694959 0.0982820), wk = 0.0028090 k( 15) = ( 0.1296296 -0.0748417 0.1058421), wk = 0.0028090 k( 16) = ( 0.1388889 -0.0801875 0.1134023), wk = 0.0028090 k( 17) = ( 0.1481482 -0.0855334 0.1209625), wk = 0.0028090 k( 18) = ( 0.1574074 -0.0908792 0.1285226), wk = 0.0028090 k( 19) = ( 0.1666667 -0.0962250 0.1360828), wk = 0.0028090 k( 20) = ( 0.1759259 -0.1015709 0.1436429), wk = 0.0028090 k( 21) = ( 0.1851852 -0.1069167 0.1512031), wk = 0.0028090 k( 22) = ( 0.1944444 -0.1122625 0.1587632), wk = 0.0028090 k( 23) = ( 0.2037037 -0.1176084 0.1663234), wk = 0.0028090 k( 24) = ( 0.2129630 -0.1229542 0.1738835), wk = 0.0028090 k( 25) = ( 0.2222222 -0.1283001 0.1814437), wk = 0.0028090 k( 26) = ( 0.2314815 -0.1336459 0.1890038), wk = 0.0028090 k( 27) = ( 0.2407407 -0.1389917 0.1965640), wk = 0.0028090 k( 28) = ( 0.2500000 -0.1443376 0.2041241), wk = 0.0028090 k( 29) = ( 0.2592593 -0.1496834 0.2116843), wk = 0.0028090 k( 30) = ( 0.2685185 -0.1550292 0.2192445), wk = 0.0028090 k( 31) = ( 0.2777778 -0.1603751 0.2268046), wk = 0.0028090 k( 32) = ( 0.2870370 -0.1657209 0.2343648), wk = 0.0028090 k( 33) = ( 0.2962963 -0.1710667 0.2419249), wk = 0.0028090 k( 34) = ( 0.3055556 -0.1764126 0.2494851), wk = 0.0028090 k( 35) = ( 0.3148148 -0.1817584 0.2570452), wk = 0.0028090 k( 36) = ( 0.3240741 -0.1871043 0.2646054), wk = 0.0028090 k( 37) = ( 0.3333333 -0.1924501 0.2721655), wk = 0.0028090 k( 38) = ( 0.3425926 -0.1977959 0.2797257), wk = 0.0028090 k( 39) = ( 0.3518519 -0.2031418 0.2872858), wk = 0.0028090 k( 40) = ( 0.3611111 -0.2084876 0.2948460), wk = 0.0028090 k( 41) = ( 0.3703704 -0.2138334 0.3024061), wk = 0.0028090 k( 42) = ( 0.3796296 -0.2191793 0.3099663), wk = 0.0028090 k( 43) = ( 0.3888889 -0.2245251 0.3175264), wk = 0.0028090 k( 44) = ( 0.3981481 -0.2298709 0.3250866), wk = 0.0028090 k( 45) = ( 0.4074074 -0.2352168 0.3326468), wk = 0.0028090 k( 46) = ( 0.4166667 -0.2405626 0.3402069), wk = 0.0028090 k( 47) = ( 0.4259259 -0.2459085 0.3477671), wk = 0.0028090 k( 48) = ( 0.4351852 -0.2512543 0.3553272), wk = 0.0028090 k( 49) = ( 0.4444444 -0.2566001 0.3628874), wk = 0.0028090 k( 50) = ( 0.4537037 -0.2619460 0.3704475), wk = 0.0028090 k( 51) = ( 0.4629630 -0.2672918 0.3780077), wk = 0.0028090 k( 52) = ( 0.4722222 -0.2726376 0.3855678), wk = 0.0028090 k( 53) = ( 0.4814815 -0.2779835 0.3931280), wk = 0.0028090 k( 54) = ( 0.4907407 -0.2833293 0.4006881), wk = 0.0028090 k( 55) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0028090 k( 56) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0028090 k( 57) = ( 0.5000000 -0.2779835 0.4158084), wk = 0.0028090 k( 58) = ( 0.5000000 -0.2672918 0.4233686), wk = 0.0028090 k( 59) = ( 0.5000000 -0.2566001 0.4309288), wk = 0.0028090 k( 60) = ( 0.5000000 -0.2459084 0.4384889), wk = 0.0028090 k( 61) = ( 0.5000000 -0.2352168 0.4460491), wk = 0.0028090 k( 62) = ( 0.5000000 -0.2245251 0.4536092), wk = 0.0028090 k( 63) = ( 0.5000000 -0.2138334 0.4611694), wk = 0.0028090 k( 64) = ( 0.5000000 -0.2031418 0.4687295), wk = 0.0028090 k( 65) = ( 0.5000000 -0.1924501 0.4762897), wk = 0.0028090 k( 66) = ( 0.5000000 -0.1817584 0.4838498), wk = 0.0028090 k( 67) = ( 0.5000000 -0.1710667 0.4914100), wk = 0.0028090 k( 68) = ( 0.5000000 -0.1603751 0.4989701), wk = 0.0028090 k( 69) = ( 0.5000000 -0.1496834 0.5065303), wk = 0.0028090 k( 70) = ( 0.5000000 -0.1389917 0.5140904), wk = 0.0028090 k( 71) = ( 0.5000000 -0.1283001 0.5216506), wk = 0.0028090 k( 72) = ( 0.5000000 -0.1176084 0.5292107), wk = 0.0028090 k( 73) = ( 0.5000000 -0.1069167 0.5367709), wk = 0.0028090 k( 74) = ( 0.5000000 -0.0962250 0.5443311), wk = 0.0028090 k( 75) = ( 0.5000000 -0.0855334 0.5518912), wk = 0.0028090 k( 76) = ( 0.5000000 -0.0748417 0.5594514), wk = 0.0028090 k( 77) = ( 0.5000000 -0.0641500 0.5670115), wk = 0.0028090 k( 78) = ( 0.5000000 -0.0534584 0.5745717), wk = 0.0028090 k( 79) = ( 0.5000000 -0.0427667 0.5821318), wk = 0.0028090 k( 80) = ( 0.5000000 -0.0320750 0.5896920), wk = 0.0028090 k( 81) = ( 0.5000000 -0.0213833 0.5972521), wk = 0.0028090 k( 82) = ( 0.5000000 -0.0106917 0.6048123), wk = 0.0028090 k( 83) = ( 0.5000000 0.0000000 0.6123724), wk = 0.0028090 k( 84) = ( 0.5000000 0.0000000 0.6123724), wk = 0.0028090 k( 85) = ( 0.4934211 0.0113951 0.6123724), wk = 0.0028090 k( 86) = ( 0.4868421 0.0227901 0.6123724), wk = 0.0028090 k( 87) = ( 0.4802632 0.0341852 0.6123724), wk = 0.0028090 k( 88) = ( 0.4736842 0.0455803 0.6123724), wk = 0.0028090 k( 89) = ( 0.4671053 0.0569754 0.6123724), wk = 0.0028090 k( 90) = ( 0.4605263 0.0683704 0.6123724), wk = 0.0028090 k( 91) = ( 0.4539474 0.0797655 0.6123724), wk = 0.0028090 k( 92) = ( 0.4473684 0.0911606 0.6123724), wk = 0.0028090 k( 93) = ( 0.4407895 0.1025556 0.6123724), wk = 0.0028090 k( 94) = ( 0.4342105 0.1139507 0.6123724), wk = 0.0028090 k( 95) = ( 0.4276316 0.1253458 0.6123724), wk = 0.0028090 k( 96) = ( 0.4210526 0.1367409 0.6123724), wk = 0.0028090 k( 97) = ( 0.4144737 0.1481359 0.6123724), wk = 0.0028090 k( 98) = ( 0.4078947 0.1595310 0.6123724), wk = 0.0028090 k( 99) = ( 0.4013158 0.1709261 0.6123724), wk = 0.0028090 k( 100) = ( 0.3947368 0.1823211 0.6123724), wk = 0.0028090 k( 101) = ( 0.3881579 0.1937162 0.6123724), wk = 0.0028090 k( 102) = ( 0.3815789 0.2051113 0.6123724), wk = 0.0028090 k( 103) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0028090 k( 104) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0028090 k( 105) = ( 0.3684211 0.2127080 0.6016291), wk = 0.0028090 k( 106) = ( 0.3618421 0.2089096 0.5908857), wk = 0.0028090 k( 107) = ( 0.3552632 0.2051113 0.5801423), wk = 0.0028090 k( 108) = ( 0.3486842 0.2013129 0.5693989), wk = 0.0028090 k( 109) = ( 0.3421053 0.1975146 0.5586556), wk = 0.0028090 k( 110) = ( 0.3355263 0.1937162 0.5479122), wk = 0.0028090 k( 111) = ( 0.3289474 0.1899179 0.5371688), wk = 0.0028090 k( 112) = ( 0.3223684 0.1861195 0.5264254), wk = 0.0028090 k( 113) = ( 0.3157895 0.1823211 0.5156821), wk = 0.0028090 k( 114) = ( 0.3092105 0.1785228 0.5049387), wk = 0.0028090 k( 115) = ( 0.3026316 0.1747244 0.4941953), wk = 0.0028090 k( 116) = ( 0.2960526 0.1709261 0.4834519), wk = 0.0028090 k( 117) = ( 0.2894737 0.1671277 0.4727086), wk = 0.0028090 k( 118) = ( 0.2828947 0.1633294 0.4619652), wk = 0.0028090 k( 119) = ( 0.2763158 0.1595310 0.4512218), wk = 0.0028090 k( 120) = ( 0.2697368 0.1557326 0.4404784), wk = 0.0028090 k( 121) = ( 0.2631579 0.1519343 0.4297350), wk = 0.0028090 k( 122) = ( 0.2565789 0.1481359 0.4189917), wk = 0.0028090 k( 123) = ( 0.2500000 0.1443376 0.4082483), wk = 0.0028090 k( 124) = ( 0.2434210 0.1405392 0.3975049), wk = 0.0028090 k( 125) = ( 0.2368421 0.1367409 0.3867615), wk = 0.0028090 k( 126) = ( 0.2302632 0.1329425 0.3760182), wk = 0.0028090 k( 127) = ( 0.2236842 0.1291441 0.3652748), wk = 0.0028090 k( 128) = ( 0.2171053 0.1253458 0.3545314), wk = 0.0028090 k( 129) = ( 0.2105263 0.1215474 0.3437880), wk = 0.0028090 k( 130) = ( 0.2039474 0.1177491 0.3330447), wk = 0.0028090 k( 131) = ( 0.1973684 0.1139507 0.3223013), wk = 0.0028090 k( 132) = ( 0.1907895 0.1101524 0.3115579), wk = 0.0028090 k( 133) = ( 0.1842105 0.1063540 0.3008145), wk = 0.0028090 k( 134) = ( 0.1776316 0.1025556 0.2900712), wk = 0.0028090 k( 135) = ( 0.1710526 0.0987573 0.2793278), wk = 0.0028090 k( 136) = ( 0.1644737 0.0949589 0.2685844), wk = 0.0028090 k( 137) = ( 0.1578947 0.0911606 0.2578410), wk = 0.0028090 k( 138) = ( 0.1513158 0.0873622 0.2470977), wk = 0.0028090 k( 139) = ( 0.1447368 0.0835639 0.2363543), wk = 0.0028090 k( 140) = ( 0.1381579 0.0797655 0.2256109), wk = 0.0028090 k( 141) = ( 0.1315790 0.0759671 0.2148675), wk = 0.0028090 k( 142) = ( 0.1250000 0.0721688 0.2041241), wk = 0.0028090 k( 143) = ( 0.1184210 0.0683704 0.1933808), wk = 0.0028090 k( 144) = ( 0.1118421 0.0645721 0.1826374), wk = 0.0028090 k( 145) = ( 0.1052632 0.0607737 0.1718940), wk = 0.0028090 k( 146) = ( 0.0986842 0.0569754 0.1611506), wk = 0.0028090 k( 147) = ( 0.0921053 0.0531770 0.1504073), wk = 0.0028090 k( 148) = ( 0.0855263 0.0493786 0.1396639), wk = 0.0028090 k( 149) = ( 0.0789474 0.0455803 0.1289205), wk = 0.0028090 k( 150) = ( 0.0723684 0.0417819 0.1181771), wk = 0.0028090 k( 151) = ( 0.0657895 0.0379836 0.1074338), wk = 0.0028090 k( 152) = ( 0.0592105 0.0341852 0.0966904), wk = 0.0028090 k( 153) = ( 0.0526316 0.0303869 0.0859470), wk = 0.0028090 k( 154) = ( 0.0460526 0.0265885 0.0752036), wk = 0.0028090 k( 155) = ( 0.0394737 0.0227901 0.0644603), wk = 0.0028090 k( 156) = ( 0.0328947 0.0189918 0.0537169), wk = 0.0028090 k( 157) = ( 0.0263158 0.0151934 0.0429735), wk = 0.0028090 k( 158) = ( 0.0197368 0.0113951 0.0322301), wk = 0.0028090 k( 159) = ( 0.0131579 0.0075967 0.0214868), wk = 0.0028090 k( 160) = ( 0.0065790 0.0037984 0.0107434), wk = 0.0028090 k( 161) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028090 k( 162) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028090 k( 163) = ( 0.0106383 0.0061420 0.0043431), wk = 0.0028090 k( 164) = ( 0.0212766 0.0122841 0.0086861), wk = 0.0028090 k( 165) = ( 0.0319149 0.0184261 0.0130292), wk = 0.0028090 k( 166) = ( 0.0425532 0.0245681 0.0173723), wk = 0.0028090 k( 167) = ( 0.0531915 0.0307101 0.0217153), wk = 0.0028090 k( 168) = ( 0.0638298 0.0368521 0.0260584), wk = 0.0028090 k( 169) = ( 0.0744681 0.0429942 0.0304015), wk = 0.0028090 k( 170) = ( 0.0851064 0.0491362 0.0347445), wk = 0.0028090 k( 171) = ( 0.0957447 0.0552782 0.0390876), wk = 0.0028090 k( 172) = ( 0.1063830 0.0614202 0.0434307), wk = 0.0028090 k( 173) = ( 0.1170213 0.0675623 0.0477737), wk = 0.0028090 k( 174) = ( 0.1276596 0.0737043 0.0521168), wk = 0.0028090 k( 175) = ( 0.1382979 0.0798463 0.0564599), wk = 0.0028090 k( 176) = ( 0.1489362 0.0859883 0.0608029), wk = 0.0028090 k( 177) = ( 0.1595745 0.0921304 0.0651460), wk = 0.0028090 k( 178) = ( 0.1702128 0.0982724 0.0694891), wk = 0.0028090 k( 179) = ( 0.1808511 0.1044144 0.0738321), wk = 0.0028090 k( 180) = ( 0.1914894 0.1105564 0.0781752), wk = 0.0028090 k( 181) = ( 0.2021277 0.1166985 0.0825183), wk = 0.0028090 k( 182) = ( 0.2127660 0.1228405 0.0868613), wk = 0.0028090 k( 183) = ( 0.2234043 0.1289825 0.0912044), wk = 0.0028090 k( 184) = ( 0.2340425 0.1351245 0.0955475), wk = 0.0028090 k( 185) = ( 0.2446809 0.1412666 0.0998905), wk = 0.0028090 k( 186) = ( 0.2553191 0.1474086 0.1042336), wk = 0.0028090 k( 187) = ( 0.2659574 0.1535506 0.1085767), wk = 0.0028090 k( 188) = ( 0.2765957 0.1596926 0.1129197), wk = 0.0028090 k( 189) = ( 0.2872340 0.1658347 0.1172628), wk = 0.0028090 k( 190) = ( 0.2978723 0.1719767 0.1216059), wk = 0.0028090 k( 191) = ( 0.3085106 0.1781187 0.1259489), wk = 0.0028090 k( 192) = ( 0.3191489 0.1842607 0.1302920), wk = 0.0028090 k( 193) = ( 0.3297872 0.1904027 0.1346351), wk = 0.0028090 k( 194) = ( 0.3404255 0.1965448 0.1389781), wk = 0.0028090 k( 195) = ( 0.3510638 0.2026868 0.1433212), wk = 0.0028090 k( 196) = ( 0.3617021 0.2088288 0.1476643), wk = 0.0028090 k( 197) = ( 0.3723404 0.2149708 0.1520073), wk = 0.0028090 k( 198) = ( 0.3829787 0.2211129 0.1563504), wk = 0.0028090 k( 199) = ( 0.3936170 0.2272549 0.1606935), wk = 0.0028090 k( 200) = ( 0.4042553 0.2333969 0.1650365), wk = 0.0028090 k( 201) = ( 0.4148936 0.2395389 0.1693796), wk = 0.0028090 k( 202) = ( 0.4255319 0.2456810 0.1737227), wk = 0.0028090 k( 203) = ( 0.4361702 0.2518230 0.1780657), wk = 0.0028090 k( 204) = ( 0.4468085 0.2579650 0.1824088), wk = 0.0028090 k( 205) = ( 0.4574468 0.2641070 0.1867519), wk = 0.0028090 k( 206) = ( 0.4680851 0.2702491 0.1910949), wk = 0.0028090 k( 207) = ( 0.4787234 0.2763911 0.1954380), wk = 0.0028090 k( 208) = ( 0.4893617 0.2825331 0.1997811), wk = 0.0028090 k( 209) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0028090 k( 210) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0028090 k( 211) = ( 0.5037879 0.2777405 0.2103097), wk = 0.0028090 k( 212) = ( 0.5075758 0.2668058 0.2164953), wk = 0.0028090 k( 213) = ( 0.5113636 0.2558711 0.2226809), wk = 0.0028090 k( 214) = ( 0.5151515 0.2449365 0.2288665), wk = 0.0028090 k( 215) = ( 0.5189394 0.2340018 0.2350520), wk = 0.0028090 k( 216) = ( 0.5227273 0.2230671 0.2412376), wk = 0.0028090 k( 217) = ( 0.5265152 0.2121325 0.2474232), wk = 0.0028090 k( 218) = ( 0.5303030 0.2011978 0.2536088), wk = 0.0028090 k( 219) = ( 0.5340909 0.1902632 0.2597944), wk = 0.0028090 k( 220) = ( 0.5378788 0.1793285 0.2659800), wk = 0.0028090 k( 221) = ( 0.5416667 0.1683938 0.2721655), wk = 0.0028090 k( 222) = ( 0.5454545 0.1574592 0.2783511), wk = 0.0028090 k( 223) = ( 0.5492424 0.1465245 0.2845367), wk = 0.0028090 k( 224) = ( 0.5530303 0.1355898 0.2907223), wk = 0.0028090 k( 225) = ( 0.5568182 0.1246552 0.2969078), wk = 0.0028090 k( 226) = ( 0.5606061 0.1137205 0.3030934), wk = 0.0028090 k( 227) = ( 0.5643939 0.1027858 0.3092790), wk = 0.0028090 k( 228) = ( 0.5681818 0.0918512 0.3154646), wk = 0.0028090 k( 229) = ( 0.5719697 0.0809165 0.3216502), wk = 0.0028090 k( 230) = ( 0.5757576 0.0699819 0.3278358), wk = 0.0028090 k( 231) = ( 0.5795455 0.0590472 0.3340213), wk = 0.0028090 k( 232) = ( 0.5833333 0.0481125 0.3402069), wk = 0.0028090 k( 233) = ( 0.5871212 0.0371779 0.3463925), wk = 0.0028090 k( 234) = ( 0.5909091 0.0262432 0.3525781), wk = 0.0028090 k( 235) = ( 0.5946970 0.0153085 0.3587636), wk = 0.0028090 k( 236) = ( 0.5984848 0.0043739 0.3649492), wk = 0.0028090 k( 237) = ( 0.6022727 -0.0065608 0.3711348), wk = 0.0028090 k( 238) = ( 0.6060606 -0.0174955 0.3773204), wk = 0.0028090 k( 239) = ( 0.6098485 -0.0284301 0.3835060), wk = 0.0028090 k( 240) = ( 0.6136364 -0.0393648 0.3896915), wk = 0.0028090 k( 241) = ( 0.6174242 -0.0502994 0.3958771), wk = 0.0028090 k( 242) = ( 0.6212121 -0.0612341 0.4020627), wk = 0.0028090 k( 243) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0028090 k( 244) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0028090 k( 245) = ( 0.6184211 -0.0683704 0.4189917), wk = 0.0028090 k( 246) = ( 0.6118421 -0.0645721 0.4297350), wk = 0.0028090 k( 247) = ( 0.6052632 -0.0607737 0.4404784), wk = 0.0028090 k( 248) = ( 0.5986842 -0.0569754 0.4512218), wk = 0.0028090 k( 249) = ( 0.5921053 -0.0531770 0.4619652), wk = 0.0028090 k( 250) = ( 0.5855263 -0.0493786 0.4727085), wk = 0.0028090 k( 251) = ( 0.5789474 -0.0455803 0.4834519), wk = 0.0028090 k( 252) = ( 0.5723684 -0.0417819 0.4941953), wk = 0.0028090 k( 253) = ( 0.5657895 -0.0379836 0.5049387), wk = 0.0028090 k( 254) = ( 0.5592105 -0.0341852 0.5156820), wk = 0.0028090 k( 255) = ( 0.5526316 -0.0303869 0.5264254), wk = 0.0028090 k( 256) = ( 0.5460526 -0.0265885 0.5371688), wk = 0.0028090 k( 257) = ( 0.5394737 -0.0227901 0.5479122), wk = 0.0028090 k( 258) = ( 0.5328947 -0.0189918 0.5586556), wk = 0.0028090 k( 259) = ( 0.5263158 -0.0151934 0.5693989), wk = 0.0028090 k( 260) = ( 0.5197368 -0.0113951 0.5801423), wk = 0.0028090 k( 261) = ( 0.5131579 -0.0075967 0.5908857), wk = 0.0028090 k( 262) = ( 0.5065789 -0.0037984 0.6016291), wk = 0.0028090 k( 263) = ( 0.5000000 0.0000000 0.6123724), wk = 0.0028090 k( 264) = ( 0.5000000 0.0000000 0.6123724), wk = 0.0028090 k( 265) = ( 0.5000000 0.0075967 0.6016291), wk = 0.0028090 k( 266) = ( 0.5000000 0.0151934 0.5908857), wk = 0.0028090 k( 267) = ( 0.5000000 0.0227901 0.5801423), wk = 0.0028090 k( 268) = ( 0.5000000 0.0303869 0.5693989), wk = 0.0028090 k( 269) = ( 0.5000000 0.0379836 0.5586556), wk = 0.0028090 k( 270) = ( 0.5000000 0.0455803 0.5479122), wk = 0.0028090 k( 271) = ( 0.5000000 0.0531770 0.5371688), wk = 0.0028090 k( 272) = ( 0.5000000 0.0607737 0.5264254), wk = 0.0028090 k( 273) = ( 0.5000000 0.0683704 0.5156820), wk = 0.0028090 k( 274) = ( 0.5000000 0.0759671 0.5049387), wk = 0.0028090 k( 275) = ( 0.5000000 0.0835639 0.4941953), wk = 0.0028090 k( 276) = ( 0.5000000 0.0911606 0.4834519), wk = 0.0028090 k( 277) = ( 0.5000000 0.0987573 0.4727085), wk = 0.0028090 k( 278) = ( 0.5000000 0.1063540 0.4619652), wk = 0.0028090 k( 279) = ( 0.5000000 0.1139507 0.4512218), wk = 0.0028090 k( 280) = ( 0.5000000 0.1215474 0.4404784), wk = 0.0028090 k( 281) = ( 0.5000000 0.1291441 0.4297350), wk = 0.0028090 k( 282) = ( 0.5000000 0.1367409 0.4189917), wk = 0.0028090 k( 283) = ( 0.5000000 0.1443376 0.4082483), wk = 0.0028090 k( 284) = ( 0.5000000 0.1519343 0.3975049), wk = 0.0028090 k( 285) = ( 0.5000000 0.1595310 0.3867615), wk = 0.0028090 k( 286) = ( 0.5000000 0.1671277 0.3760182), wk = 0.0028090 k( 287) = ( 0.5000000 0.1747244 0.3652748), wk = 0.0028090 k( 288) = ( 0.5000000 0.1823211 0.3545314), wk = 0.0028090 k( 289) = ( 0.5000000 0.1899178 0.3437880), wk = 0.0028090 k( 290) = ( 0.5000000 0.1975146 0.3330447), wk = 0.0028090 k( 291) = ( 0.5000000 0.2051113 0.3223013), wk = 0.0028090 k( 292) = ( 0.5000000 0.2127080 0.3115579), wk = 0.0028090 k( 293) = ( 0.5000000 0.2203047 0.3008145), wk = 0.0028090 k( 294) = ( 0.5000000 0.2279014 0.2900712), wk = 0.0028090 k( 295) = ( 0.5000000 0.2354981 0.2793278), wk = 0.0028090 k( 296) = ( 0.5000000 0.2430949 0.2685844), wk = 0.0028090 k( 297) = ( 0.5000000 0.2506916 0.2578410), wk = 0.0028090 k( 298) = ( 0.5000000 0.2582883 0.2470977), wk = 0.0028090 k( 299) = ( 0.5000000 0.2658850 0.2363543), wk = 0.0028090 k( 300) = ( 0.5000000 0.2734817 0.2256109), wk = 0.0028090 k( 301) = ( 0.5000000 0.2810784 0.2148675), wk = 0.0028090 k( 302) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0028090 k( 303) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0028090 k( 304) = ( 0.4962121 0.2864882 0.2164953), wk = 0.0028090 k( 305) = ( 0.4924242 0.2843013 0.2288665), wk = 0.0028090 k( 306) = ( 0.4886364 0.2821143 0.2412376), wk = 0.0028090 k( 307) = ( 0.4848485 0.2799274 0.2536088), wk = 0.0028090 k( 308) = ( 0.4810606 0.2777405 0.2659799), wk = 0.0028090 k( 309) = ( 0.4772727 0.2755535 0.2783511), wk = 0.0028090 k( 310) = ( 0.4734849 0.2733666 0.2907223), wk = 0.0028090 k( 311) = ( 0.4696970 0.2711797 0.3030934), wk = 0.0028090 k( 312) = ( 0.4659091 0.2689927 0.3154646), wk = 0.0028090 k( 313) = ( 0.4621212 0.2668058 0.3278358), wk = 0.0028090 k( 314) = ( 0.4583333 0.2646189 0.3402069), wk = 0.0028090 k( 315) = ( 0.4545455 0.2624319 0.3525781), wk = 0.0028090 k( 316) = ( 0.4507576 0.2602450 0.3649492), wk = 0.0028090 k( 317) = ( 0.4469697 0.2580581 0.3773204), wk = 0.0028090 k( 318) = ( 0.4431818 0.2558711 0.3896915), wk = 0.0028090 k( 319) = ( 0.4393939 0.2536842 0.4020627), wk = 0.0028090 k( 320) = ( 0.4356061 0.2514973 0.4144339), wk = 0.0028090 k( 321) = ( 0.4318182 0.2493103 0.4268050), wk = 0.0028090 k( 322) = ( 0.4280303 0.2471234 0.4391762), wk = 0.0028090 k( 323) = ( 0.4242424 0.2449365 0.4515474), wk = 0.0028090 k( 324) = ( 0.4204545 0.2427495 0.4639185), wk = 0.0028090 k( 325) = ( 0.4166667 0.2405626 0.4762897), wk = 0.0028090 k( 326) = ( 0.4128788 0.2383757 0.4886608), wk = 0.0028090 k( 327) = ( 0.4090909 0.2361887 0.5010320), wk = 0.0028090 k( 328) = ( 0.4053030 0.2340018 0.5134032), wk = 0.0028090 k( 329) = ( 0.4015151 0.2318149 0.5257743), wk = 0.0028090 k( 330) = ( 0.3977273 0.2296279 0.5381455), wk = 0.0028090 k( 331) = ( 0.3939394 0.2274410 0.5505166), wk = 0.0028090 k( 332) = ( 0.3901515 0.2252541 0.5628878), wk = 0.0028090 k( 333) = ( 0.3863636 0.2230672 0.5752590), wk = 0.0028090 k( 334) = ( 0.3825758 0.2208802 0.5876301), wk = 0.0028090 k( 335) = ( 0.3787879 0.2186933 0.6000013), wk = 0.0028090 k( 336) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0028090 k( 337) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0028090 k( 338) = ( 0.6184211 -0.0835638 0.4082483), wk = 0.0028090 k( 339) = ( 0.6118421 -0.0949589 0.4082483), wk = 0.0028090 k( 340) = ( 0.6052632 -0.1063540 0.4082483), wk = 0.0028090 k( 341) = ( 0.5986842 -0.1177491 0.4082483), wk = 0.0028090 k( 342) = ( 0.5921053 -0.1291441 0.4082483), wk = 0.0028090 k( 343) = ( 0.5855263 -0.1405392 0.4082483), wk = 0.0028090 k( 344) = ( 0.5789474 -0.1519343 0.4082483), wk = 0.0028090 k( 345) = ( 0.5723684 -0.1633294 0.4082483), wk = 0.0028090 k( 346) = ( 0.5657895 -0.1747244 0.4082483), wk = 0.0028090 k( 347) = ( 0.5592105 -0.1861195 0.4082483), wk = 0.0028090 k( 348) = ( 0.5526316 -0.1975146 0.4082483), wk = 0.0028090 k( 349) = ( 0.5460526 -0.2089096 0.4082483), wk = 0.0028090 k( 350) = ( 0.5394737 -0.2203047 0.4082483), wk = 0.0028090 k( 351) = ( 0.5328947 -0.2316998 0.4082483), wk = 0.0028090 k( 352) = ( 0.5263158 -0.2430948 0.4082483), wk = 0.0028090 k( 353) = ( 0.5197368 -0.2544899 0.4082483), wk = 0.0028090 k( 354) = ( 0.5131579 -0.2658850 0.4082483), wk = 0.0028090 k( 355) = ( 0.5065789 -0.2772801 0.4082483), wk = 0.0028090 k( 356) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0028090 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028090 k( 2) = ( 0.0092593 -0.0000000 0.0092593), wk = 0.0028090 k( 3) = ( 0.0185185 -0.0000000 0.0185185), wk = 0.0028090 k( 4) = ( 0.0277778 -0.0000000 0.0277778), wk = 0.0028090 k( 5) = ( 0.0370370 -0.0000000 0.0370370), wk = 0.0028090 k( 6) = ( 0.0462963 -0.0000000 0.0462963), wk = 0.0028090 k( 7) = ( 0.0555556 -0.0000000 0.0555556), wk = 0.0028090 k( 8) = ( 0.0648148 -0.0000000 0.0648148), wk = 0.0028090 k( 9) = ( 0.0740741 -0.0000000 0.0740741), wk = 0.0028090 k( 10) = ( 0.0833333 -0.0000000 0.0833333), wk = 0.0028090 k( 11) = ( 0.0925926 -0.0000000 0.0925926), wk = 0.0028090 k( 12) = ( 0.1018518 -0.0000000 0.1018518), wk = 0.0028090 k( 13) = ( 0.1111111 -0.0000000 0.1111111), wk = 0.0028090 k( 14) = ( 0.1203704 -0.0000000 0.1203704), wk = 0.0028090 k( 15) = ( 0.1296296 -0.0000000 0.1296296), wk = 0.0028090 k( 16) = ( 0.1388889 -0.0000000 0.1388889), wk = 0.0028090 k( 17) = ( 0.1481482 -0.0000000 0.1481482), wk = 0.0028090 k( 18) = ( 0.1574074 -0.0000000 0.1574074), wk = 0.0028090 k( 19) = ( 0.1666667 -0.0000000 0.1666667), wk = 0.0028090 k( 20) = ( 0.1759259 -0.0000000 0.1759259), wk = 0.0028090 k( 21) = ( 0.1851852 -0.0000000 0.1851852), wk = 0.0028090 k( 22) = ( 0.1944444 -0.0000000 0.1944444), wk = 0.0028090 k( 23) = ( 0.2037037 -0.0000000 0.2037037), wk = 0.0028090 k( 24) = ( 0.2129630 -0.0000000 0.2129630), wk = 0.0028090 k( 25) = ( 0.2222222 -0.0000000 0.2222222), wk = 0.0028090 k( 26) = ( 0.2314815 -0.0000000 0.2314815), wk = 0.0028090 k( 27) = ( 0.2407407 -0.0000000 0.2407407), wk = 0.0028090 k( 28) = ( 0.2500000 -0.0000000 0.2500000), wk = 0.0028090 k( 29) = ( 0.2592593 -0.0000000 0.2592593), wk = 0.0028090 k( 30) = ( 0.2685185 -0.0000000 0.2685185), wk = 0.0028090 k( 31) = ( 0.2777778 -0.0000000 0.2777778), wk = 0.0028090 k( 32) = ( 0.2870370 -0.0000000 0.2870370), wk = 0.0028090 k( 33) = ( 0.2962963 -0.0000000 0.2962963), wk = 0.0028090 k( 34) = ( 0.3055556 -0.0000000 0.3055556), wk = 0.0028090 k( 35) = ( 0.3148148 -0.0000000 0.3148148), wk = 0.0028090 k( 36) = ( 0.3240741 -0.0000000 0.3240741), wk = 0.0028090 k( 37) = ( 0.3333333 -0.0000000 0.3333333), wk = 0.0028090 k( 38) = ( 0.3425926 -0.0000000 0.3425926), wk = 0.0028090 k( 39) = ( 0.3518519 -0.0000000 0.3518519), wk = 0.0028090 k( 40) = ( 0.3611111 -0.0000000 0.3611111), wk = 0.0028090 k( 41) = ( 0.3703704 -0.0000000 0.3703704), wk = 0.0028090 k( 42) = ( 0.3796296 -0.0000000 0.3796296), wk = 0.0028090 k( 43) = ( 0.3888889 -0.0000000 0.3888889), wk = 0.0028090 k( 44) = ( 0.3981481 -0.0000000 0.3981481), wk = 0.0028090 k( 45) = ( 0.4074074 -0.0000000 0.4074074), wk = 0.0028090 k( 46) = ( 0.4166667 -0.0000000 0.4166667), wk = 0.0028090 k( 47) = ( 0.4259259 -0.0000000 0.4259259), wk = 0.0028090 k( 48) = ( 0.4351852 -0.0000000 0.4351852), wk = 0.0028090 k( 49) = ( 0.4444444 -0.0000000 0.4444444), wk = 0.0028090 k( 50) = ( 0.4537037 -0.0000000 0.4537037), wk = 0.0028090 k( 51) = ( 0.4629630 -0.0000000 0.4629630), wk = 0.0028090 k( 52) = ( 0.4722222 -0.0000000 0.4722222), wk = 0.0028090 k( 53) = ( 0.4814815 -0.0000000 0.4814815), wk = 0.0028090 k( 54) = ( 0.4907407 -0.0000000 0.4907407), wk = 0.0028090 k( 55) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0028090 k( 56) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0028090 k( 57) = ( 0.5000000 0.0092593 0.5092593), wk = 0.0028090 k( 58) = ( 0.5000000 0.0185185 0.5185185), wk = 0.0028090 k( 59) = ( 0.5000000 0.0277778 0.5277778), wk = 0.0028090 k( 60) = ( 0.5000000 0.0370370 0.5370370), wk = 0.0028090 k( 61) = ( 0.5000000 0.0462963 0.5462963), wk = 0.0028090 k( 62) = ( 0.5000000 0.0555556 0.5555556), wk = 0.0028090 k( 63) = ( 0.5000000 0.0648148 0.5648148), wk = 0.0028090 k( 64) = ( 0.5000000 0.0740741 0.5740741), wk = 0.0028090 k( 65) = ( 0.5000000 0.0833333 0.5833333), wk = 0.0028090 k( 66) = ( 0.5000000 0.0925926 0.5925926), wk = 0.0028090 k( 67) = ( 0.5000000 0.1018518 0.6018518), wk = 0.0028090 k( 68) = ( 0.5000000 0.1111111 0.6111111), wk = 0.0028090 k( 69) = ( 0.5000000 0.1203704 0.6203704), wk = 0.0028090 k( 70) = ( 0.5000000 0.1296296 0.6296296), wk = 0.0028090 k( 71) = ( 0.5000000 0.1388889 0.6388889), wk = 0.0028090 k( 72) = ( 0.5000000 0.1481481 0.6481482), wk = 0.0028090 k( 73) = ( 0.5000000 0.1574074 0.6574074), wk = 0.0028090 k( 74) = ( 0.5000000 0.1666667 0.6666667), wk = 0.0028090 k( 75) = ( 0.5000000 0.1759259 0.6759259), wk = 0.0028090 k( 76) = ( 0.5000000 0.1851852 0.6851852), wk = 0.0028090 k( 77) = ( 0.5000000 0.1944444 0.6944444), wk = 0.0028090 k( 78) = ( 0.5000000 0.2037037 0.7037037), wk = 0.0028090 k( 79) = ( 0.5000000 0.2129630 0.7129630), wk = 0.0028090 k( 80) = ( 0.5000000 0.2222222 0.7222222), wk = 0.0028090 k( 81) = ( 0.5000000 0.2314815 0.7314815), wk = 0.0028090 k( 82) = ( 0.5000000 0.2407407 0.7407407), wk = 0.0028090 k( 83) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0028090 k( 84) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0028090 k( 85) = ( 0.4934211 0.2565789 0.7500000), wk = 0.0028090 k( 86) = ( 0.4868421 0.2631579 0.7500000), wk = 0.0028090 k( 87) = ( 0.4802632 0.2697368 0.7500000), wk = 0.0028090 k( 88) = ( 0.4736842 0.2763158 0.7500000), wk = 0.0028090 k( 89) = ( 0.4671053 0.2828947 0.7500000), wk = 0.0028090 k( 90) = ( 0.4605263 0.2894737 0.7500000), wk = 0.0028090 k( 91) = ( 0.4539474 0.2960526 0.7500000), wk = 0.0028090 k( 92) = ( 0.4473684 0.3026316 0.7500000), wk = 0.0028090 k( 93) = ( 0.4407895 0.3092105 0.7500000), wk = 0.0028090 k( 94) = ( 0.4342105 0.3157895 0.7500000), wk = 0.0028090 k( 95) = ( 0.4276316 0.3223684 0.7500000), wk = 0.0028090 k( 96) = ( 0.4210526 0.3289474 0.7500000), wk = 0.0028090 k( 97) = ( 0.4144737 0.3355263 0.7500000), wk = 0.0028090 k( 98) = ( 0.4078947 0.3421053 0.7500000), wk = 0.0028090 k( 99) = ( 0.4013158 0.3486842 0.7500000), wk = 0.0028090 k( 100) = ( 0.3947368 0.3552632 0.7500000), wk = 0.0028090 k( 101) = ( 0.3881579 0.3618421 0.7500000), wk = 0.0028090 k( 102) = ( 0.3815789 0.3684211 0.7500000), wk = 0.0028090 k( 103) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0028090 k( 104) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0028090 k( 105) = ( 0.3684211 0.3684211 0.7368421), wk = 0.0028090 k( 106) = ( 0.3618421 0.3618421 0.7236842), wk = 0.0028090 k( 107) = ( 0.3552632 0.3552632 0.7105263), wk = 0.0028090 k( 108) = ( 0.3486842 0.3486842 0.6973684), wk = 0.0028090 k( 109) = ( 0.3421053 0.3421053 0.6842105), wk = 0.0028090 k( 110) = ( 0.3355263 0.3355263 0.6710526), wk = 0.0028090 k( 111) = ( 0.3289474 0.3289474 0.6578947), wk = 0.0028090 k( 112) = ( 0.3223684 0.3223684 0.6447368), wk = 0.0028090 k( 113) = ( 0.3157895 0.3157895 0.6315789), wk = 0.0028090 k( 114) = ( 0.3092105 0.3092105 0.6184211), wk = 0.0028090 k( 115) = ( 0.3026316 0.3026316 0.6052632), wk = 0.0028090 k( 116) = ( 0.2960526 0.2960526 0.5921053), wk = 0.0028090 k( 117) = ( 0.2894737 0.2894737 0.5789474), wk = 0.0028090 k( 118) = ( 0.2828947 0.2828947 0.5657895), wk = 0.0028090 k( 119) = ( 0.2763158 0.2763158 0.5526316), wk = 0.0028090 k( 120) = ( 0.2697368 0.2697368 0.5394737), wk = 0.0028090 k( 121) = ( 0.2631579 0.2631579 0.5263158), wk = 0.0028090 k( 122) = ( 0.2565789 0.2565789 0.5131579), wk = 0.0028090 k( 123) = ( 0.2500000 0.2500000 0.5000000), wk = 0.0028090 k( 124) = ( 0.2434210 0.2434210 0.4868421), wk = 0.0028090 k( 125) = ( 0.2368421 0.2368421 0.4736842), wk = 0.0028090 k( 126) = ( 0.2302632 0.2302632 0.4605263), wk = 0.0028090 k( 127) = ( 0.2236842 0.2236842 0.4473684), wk = 0.0028090 k( 128) = ( 0.2171053 0.2171053 0.4342105), wk = 0.0028090 k( 129) = ( 0.2105263 0.2105263 0.4210526), wk = 0.0028090 k( 130) = ( 0.2039474 0.2039474 0.4078947), wk = 0.0028090 k( 131) = ( 0.1973684 0.1973684 0.3947368), wk = 0.0028090 k( 132) = ( 0.1907895 0.1907895 0.3815789), wk = 0.0028090 k( 133) = ( 0.1842105 0.1842105 0.3684210), wk = 0.0028090 k( 134) = ( 0.1776316 0.1776316 0.3552632), wk = 0.0028090 k( 135) = ( 0.1710526 0.1710526 0.3421053), wk = 0.0028090 k( 136) = ( 0.1644737 0.1644737 0.3289474), wk = 0.0028090 k( 137) = ( 0.1578947 0.1578947 0.3157895), wk = 0.0028090 k( 138) = ( 0.1513158 0.1513158 0.3026316), wk = 0.0028090 k( 139) = ( 0.1447368 0.1447368 0.2894737), wk = 0.0028090 k( 140) = ( 0.1381579 0.1381579 0.2763158), wk = 0.0028090 k( 141) = ( 0.1315790 0.1315790 0.2631579), wk = 0.0028090 k( 142) = ( 0.1250000 0.1250000 0.2500000), wk = 0.0028090 k( 143) = ( 0.1184210 0.1184210 0.2368421), wk = 0.0028090 k( 144) = ( 0.1118421 0.1118421 0.2236842), wk = 0.0028090 k( 145) = ( 0.1052632 0.1052632 0.2105263), wk = 0.0028090 k( 146) = ( 0.0986842 0.0986842 0.1973684), wk = 0.0028090 k( 147) = ( 0.0921053 0.0921053 0.1842105), wk = 0.0028090 k( 148) = ( 0.0855263 0.0855263 0.1710526), wk = 0.0028090 k( 149) = ( 0.0789474 0.0789474 0.1578947), wk = 0.0028090 k( 150) = ( 0.0723684 0.0723684 0.1447368), wk = 0.0028090 k( 151) = ( 0.0657895 0.0657895 0.1315790), wk = 0.0028090 k( 152) = ( 0.0592105 0.0592105 0.1184210), wk = 0.0028090 k( 153) = ( 0.0526316 0.0526316 0.1052632), wk = 0.0028090 k( 154) = ( 0.0460526 0.0460526 0.0921053), wk = 0.0028090 k( 155) = ( 0.0394737 0.0394737 0.0789474), wk = 0.0028090 k( 156) = ( 0.0328947 0.0328947 0.0657895), wk = 0.0028090 k( 157) = ( 0.0263158 0.0263158 0.0526316), wk = 0.0028090 k( 158) = ( 0.0197368 0.0197368 0.0394737), wk = 0.0028090 k( 159) = ( 0.0131579 0.0131579 0.0263158), wk = 0.0028090 k( 160) = ( 0.0065790 0.0065790 0.0131579), wk = 0.0028090 k( 161) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028090 k( 162) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028090 k( 163) = ( 0.0106383 0.0106383 0.0106383), wk = 0.0028090 k( 164) = ( 0.0212766 0.0212766 0.0212766), wk = 0.0028090 k( 165) = ( 0.0319149 0.0319149 0.0319149), wk = 0.0028090 k( 166) = ( 0.0425532 0.0425532 0.0425532), wk = 0.0028090 k( 167) = ( 0.0531915 0.0531915 0.0531915), wk = 0.0028090 k( 168) = ( 0.0638298 0.0638298 0.0638298), wk = 0.0028090 k( 169) = ( 0.0744681 0.0744681 0.0744681), wk = 0.0028090 k( 170) = ( 0.0851064 0.0851064 0.0851064), wk = 0.0028090 k( 171) = ( 0.0957447 0.0957447 0.0957447), wk = 0.0028090 k( 172) = ( 0.1063830 0.1063830 0.1063830), wk = 0.0028090 k( 173) = ( 0.1170213 0.1170213 0.1170213), wk = 0.0028090 k( 174) = ( 0.1276596 0.1276596 0.1276596), wk = 0.0028090 k( 175) = ( 0.1382979 0.1382979 0.1382979), wk = 0.0028090 k( 176) = ( 0.1489362 0.1489362 0.1489362), wk = 0.0028090 k( 177) = ( 0.1595745 0.1595745 0.1595745), wk = 0.0028090 k( 178) = ( 0.1702128 0.1702128 0.1702128), wk = 0.0028090 k( 179) = ( 0.1808511 0.1808511 0.1808511), wk = 0.0028090 k( 180) = ( 0.1914894 0.1914894 0.1914894), wk = 0.0028090 k( 181) = ( 0.2021277 0.2021277 0.2021277), wk = 0.0028090 k( 182) = ( 0.2127660 0.2127660 0.2127660), wk = 0.0028090 k( 183) = ( 0.2234043 0.2234043 0.2234043), wk = 0.0028090 k( 184) = ( 0.2340425 0.2340425 0.2340425), wk = 0.0028090 k( 185) = ( 0.2446809 0.2446809 0.2446809), wk = 0.0028090 k( 186) = ( 0.2553191 0.2553191 0.2553191), wk = 0.0028090 k( 187) = ( 0.2659574 0.2659574 0.2659574), wk = 0.0028090 k( 188) = ( 0.2765957 0.2765957 0.2765957), wk = 0.0028090 k( 189) = ( 0.2872340 0.2872340 0.2872340), wk = 0.0028090 k( 190) = ( 0.2978723 0.2978723 0.2978723), wk = 0.0028090 k( 191) = ( 0.3085106 0.3085106 0.3085106), wk = 0.0028090 k( 192) = ( 0.3191489 0.3191489 0.3191489), wk = 0.0028090 k( 193) = ( 0.3297872 0.3297872 0.3297872), wk = 0.0028090 k( 194) = ( 0.3404255 0.3404255 0.3404255), wk = 0.0028090 k( 195) = ( 0.3510638 0.3510638 0.3510638), wk = 0.0028090 k( 196) = ( 0.3617021 0.3617021 0.3617021), wk = 0.0028090 k( 197) = ( 0.3723404 0.3723404 0.3723404), wk = 0.0028090 k( 198) = ( 0.3829787 0.3829787 0.3829787), wk = 0.0028090 k( 199) = ( 0.3936170 0.3936170 0.3936170), wk = 0.0028090 k( 200) = ( 0.4042553 0.4042553 0.4042553), wk = 0.0028090 k( 201) = ( 0.4148936 0.4148936 0.4148936), wk = 0.0028090 k( 202) = ( 0.4255319 0.4255319 0.4255319), wk = 0.0028090 k( 203) = ( 0.4361702 0.4361702 0.4361702), wk = 0.0028090 k( 204) = ( 0.4468085 0.4468085 0.4468085), wk = 0.0028090 k( 205) = ( 0.4574468 0.4574468 0.4574468), wk = 0.0028090 k( 206) = ( 0.4680851 0.4680851 0.4680851), wk = 0.0028090 k( 207) = ( 0.4787234 0.4787234 0.4787234), wk = 0.0028090 k( 208) = ( 0.4893617 0.4893617 0.4893617), wk = 0.0028090 k( 209) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0028090 k( 210) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0028090 k( 211) = ( 0.5037879 0.4924242 0.5037879), wk = 0.0028090 k( 212) = ( 0.5075758 0.4848485 0.5075758), wk = 0.0028090 k( 213) = ( 0.5113636 0.4772727 0.5113636), wk = 0.0028090 k( 214) = ( 0.5151515 0.4696970 0.5151515), wk = 0.0028090 k( 215) = ( 0.5189394 0.4621212 0.5189394), wk = 0.0028090 k( 216) = ( 0.5227273 0.4545454 0.5227273), wk = 0.0028090 k( 217) = ( 0.5265152 0.4469697 0.5265152), wk = 0.0028090 k( 218) = ( 0.5303030 0.4393939 0.5303030), wk = 0.0028090 k( 219) = ( 0.5340909 0.4318182 0.5340909), wk = 0.0028090 k( 220) = ( 0.5378788 0.4242424 0.5378788), wk = 0.0028090 k( 221) = ( 0.5416667 0.4166667 0.5416667), wk = 0.0028090 k( 222) = ( 0.5454545 0.4090909 0.5454545), wk = 0.0028090 k( 223) = ( 0.5492424 0.4015151 0.5492424), wk = 0.0028090 k( 224) = ( 0.5530303 0.3939394 0.5530303), wk = 0.0028090 k( 225) = ( 0.5568182 0.3863636 0.5568182), wk = 0.0028090 k( 226) = ( 0.5606061 0.3787879 0.5606061), wk = 0.0028090 k( 227) = ( 0.5643939 0.3712121 0.5643939), wk = 0.0028090 k( 228) = ( 0.5681818 0.3636364 0.5681818), wk = 0.0028090 k( 229) = ( 0.5719697 0.3560606 0.5719697), wk = 0.0028090 k( 230) = ( 0.5757576 0.3484848 0.5757576), wk = 0.0028090 k( 231) = ( 0.5795455 0.3409091 0.5795455), wk = 0.0028090 k( 232) = ( 0.5833333 0.3333333 0.5833333), wk = 0.0028090 k( 233) = ( 0.5871212 0.3257576 0.5871212), wk = 0.0028090 k( 234) = ( 0.5909091 0.3181818 0.5909091), wk = 0.0028090 k( 235) = ( 0.5946970 0.3106061 0.5946970), wk = 0.0028090 k( 236) = ( 0.5984848 0.3030303 0.5984848), wk = 0.0028090 k( 237) = ( 0.6022727 0.2954545 0.6022727), wk = 0.0028090 k( 238) = ( 0.6060606 0.2878788 0.6060606), wk = 0.0028090 k( 239) = ( 0.6098485 0.2803030 0.6098485), wk = 0.0028090 k( 240) = ( 0.6136364 0.2727273 0.6136364), wk = 0.0028090 k( 241) = ( 0.6174242 0.2651515 0.6174242), wk = 0.0028090 k( 242) = ( 0.6212121 0.2575758 0.6212121), wk = 0.0028090 k( 243) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0028090 k( 244) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0028090 k( 245) = ( 0.6184211 0.2500000 0.6315789), wk = 0.0028090 k( 246) = ( 0.6118421 0.2500000 0.6381579), wk = 0.0028090 k( 247) = ( 0.6052632 0.2500000 0.6447368), wk = 0.0028090 k( 248) = ( 0.5986842 0.2500000 0.6513158), wk = 0.0028090 k( 249) = ( 0.5921053 0.2500000 0.6578947), wk = 0.0028090 k( 250) = ( 0.5855263 0.2500000 0.6644737), wk = 0.0028090 k( 251) = ( 0.5789474 0.2500000 0.6710526), wk = 0.0028090 k( 252) = ( 0.5723684 0.2500000 0.6776316), wk = 0.0028090 k( 253) = ( 0.5657895 0.2500000 0.6842105), wk = 0.0028090 k( 254) = ( 0.5592105 0.2500000 0.6907895), wk = 0.0028090 k( 255) = ( 0.5526316 0.2500000 0.6973684), wk = 0.0028090 k( 256) = ( 0.5460526 0.2500000 0.7039474), wk = 0.0028090 k( 257) = ( 0.5394737 0.2500000 0.7105263), wk = 0.0028090 k( 258) = ( 0.5328947 0.2500000 0.7171053), wk = 0.0028090 k( 259) = ( 0.5263158 0.2500000 0.7236842), wk = 0.0028090 k( 260) = ( 0.5197368 0.2500000 0.7302632), wk = 0.0028090 k( 261) = ( 0.5131579 0.2500000 0.7368421), wk = 0.0028090 k( 262) = ( 0.5065789 0.2500000 0.7434210), wk = 0.0028090 k( 263) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0028090 k( 264) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0028090 k( 265) = ( 0.5000000 0.2565789 0.7434210), wk = 0.0028090 k( 266) = ( 0.5000000 0.2631579 0.7368421), wk = 0.0028090 k( 267) = ( 0.5000000 0.2697368 0.7302632), wk = 0.0028090 k( 268) = ( 0.5000000 0.2763158 0.7236842), wk = 0.0028090 k( 269) = ( 0.5000000 0.2828947 0.7171053), wk = 0.0028090 k( 270) = ( 0.5000000 0.2894737 0.7105263), wk = 0.0028090 k( 271) = ( 0.5000000 0.2960526 0.7039474), wk = 0.0028090 k( 272) = ( 0.5000000 0.3026316 0.6973684), wk = 0.0028090 k( 273) = ( 0.5000000 0.3092105 0.6907895), wk = 0.0028090 k( 274) = ( 0.5000000 0.3157895 0.6842105), wk = 0.0028090 k( 275) = ( 0.5000000 0.3223684 0.6776316), wk = 0.0028090 k( 276) = ( 0.5000000 0.3289474 0.6710526), wk = 0.0028090 k( 277) = ( 0.5000000 0.3355263 0.6644737), wk = 0.0028090 k( 278) = ( 0.5000000 0.3421053 0.6578947), wk = 0.0028090 k( 279) = ( 0.5000000 0.3486842 0.6513158), wk = 0.0028090 k( 280) = ( 0.5000000 0.3552632 0.6447368), wk = 0.0028090 k( 281) = ( 0.5000000 0.3618421 0.6381579), wk = 0.0028090 k( 282) = ( 0.5000000 0.3684211 0.6315789), wk = 0.0028090 k( 283) = ( 0.5000000 0.3750000 0.6250000), wk = 0.0028090 k( 284) = ( 0.5000000 0.3815789 0.6184211), wk = 0.0028090 k( 285) = ( 0.5000000 0.3881579 0.6118421), wk = 0.0028090 k( 286) = ( 0.5000000 0.3947368 0.6052632), wk = 0.0028090 k( 287) = ( 0.5000000 0.4013158 0.5986842), wk = 0.0028090 k( 288) = ( 0.5000000 0.4078947 0.5921053), wk = 0.0028090 k( 289) = ( 0.5000000 0.4144737 0.5855263), wk = 0.0028090 k( 290) = ( 0.5000000 0.4210526 0.5789474), wk = 0.0028090 k( 291) = ( 0.5000000 0.4276316 0.5723684), wk = 0.0028090 k( 292) = ( 0.5000000 0.4342105 0.5657895), wk = 0.0028090 k( 293) = ( 0.5000000 0.4407895 0.5592105), wk = 0.0028090 k( 294) = ( 0.5000000 0.4473684 0.5526316), wk = 0.0028090 k( 295) = ( 0.5000000 0.4539474 0.5460526), wk = 0.0028090 k( 296) = ( 0.5000000 0.4605263 0.5394737), wk = 0.0028090 k( 297) = ( 0.5000000 0.4671053 0.5328947), wk = 0.0028090 k( 298) = ( 0.5000000 0.4736842 0.5263158), wk = 0.0028090 k( 299) = ( 0.5000000 0.4802632 0.5197368), wk = 0.0028090 k( 300) = ( 0.5000000 0.4868421 0.5131579), wk = 0.0028090 k( 301) = ( 0.5000000 0.4934210 0.5065789), wk = 0.0028090 k( 302) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0028090 k( 303) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0028090 k( 304) = ( 0.4962121 0.4962121 0.5075758), wk = 0.0028090 k( 305) = ( 0.4924242 0.4924242 0.5151515), wk = 0.0028090 k( 306) = ( 0.4886364 0.4886364 0.5227273), wk = 0.0028090 k( 307) = ( 0.4848485 0.4848485 0.5303030), wk = 0.0028090 k( 308) = ( 0.4810606 0.4810606 0.5378788), wk = 0.0028090 k( 309) = ( 0.4772727 0.4772727 0.5454545), wk = 0.0028090 k( 310) = ( 0.4734849 0.4734848 0.5530303), wk = 0.0028090 k( 311) = ( 0.4696970 0.4696970 0.5606061), wk = 0.0028090 k( 312) = ( 0.4659091 0.4659091 0.5681818), wk = 0.0028090 k( 313) = ( 0.4621212 0.4621212 0.5757576), wk = 0.0028090 k( 314) = ( 0.4583333 0.4583333 0.5833333), wk = 0.0028090 k( 315) = ( 0.4545455 0.4545454 0.5909091), wk = 0.0028090 k( 316) = ( 0.4507576 0.4507576 0.5984848), wk = 0.0028090 k( 317) = ( 0.4469697 0.4469697 0.6060606), wk = 0.0028090 k( 318) = ( 0.4431818 0.4431818 0.6136364), wk = 0.0028090 k( 319) = ( 0.4393939 0.4393939 0.6212121), wk = 0.0028090 k( 320) = ( 0.4356061 0.4356061 0.6287879), wk = 0.0028090 k( 321) = ( 0.4318182 0.4318182 0.6363636), wk = 0.0028090 k( 322) = ( 0.4280303 0.4280303 0.6439394), wk = 0.0028090 k( 323) = ( 0.4242424 0.4242424 0.6515152), wk = 0.0028090 k( 324) = ( 0.4204545 0.4204545 0.6590909), wk = 0.0028090 k( 325) = ( 0.4166667 0.4166667 0.6666667), wk = 0.0028090 k( 326) = ( 0.4128788 0.4128788 0.6742424), wk = 0.0028090 k( 327) = ( 0.4090909 0.4090909 0.6818182), wk = 0.0028090 k( 328) = ( 0.4053030 0.4053030 0.6893939), wk = 0.0028090 k( 329) = ( 0.4015151 0.4015151 0.6969697), wk = 0.0028090 k( 330) = ( 0.3977273 0.3977273 0.7045454), wk = 0.0028090 k( 331) = ( 0.3939394 0.3939394 0.7121212), wk = 0.0028090 k( 332) = ( 0.3901515 0.3901515 0.7196970), wk = 0.0028090 k( 333) = ( 0.3863636 0.3863636 0.7272727), wk = 0.0028090 k( 334) = ( 0.3825758 0.3825758 0.7348485), wk = 0.0028090 k( 335) = ( 0.3787879 0.3787879 0.7424242), wk = 0.0028090 k( 336) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0028090 k( 337) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0028090 k( 338) = ( 0.6184211 0.2368421 0.6184210), wk = 0.0028090 k( 339) = ( 0.6118421 0.2236842 0.6118421), wk = 0.0028090 k( 340) = ( 0.6052632 0.2105263 0.6052632), wk = 0.0028090 k( 341) = ( 0.5986842 0.1973684 0.5986842), wk = 0.0028090 k( 342) = ( 0.5921053 0.1842105 0.5921053), wk = 0.0028090 k( 343) = ( 0.5855263 0.1710526 0.5855263), wk = 0.0028090 k( 344) = ( 0.5789474 0.1578947 0.5789474), wk = 0.0028090 k( 345) = ( 0.5723684 0.1447368 0.5723684), wk = 0.0028090 k( 346) = ( 0.5657895 0.1315789 0.5657895), wk = 0.0028090 k( 347) = ( 0.5592105 0.1184210 0.5592105), wk = 0.0028090 k( 348) = ( 0.5526316 0.1052632 0.5526316), wk = 0.0028090 k( 349) = ( 0.5460526 0.0921053 0.5460526), wk = 0.0028090 k( 350) = ( 0.5394737 0.0789474 0.5394737), wk = 0.0028090 k( 351) = ( 0.5328947 0.0657895 0.5328947), wk = 0.0028090 k( 352) = ( 0.5263158 0.0526316 0.5263158), wk = 0.0028090 k( 353) = ( 0.5197368 0.0394737 0.5197368), wk = 0.0028090 k( 354) = ( 0.5131579 0.0263158 0.5131579), wk = 0.0028090 k( 355) = ( 0.5065789 0.0131579 0.5065789), wk = 0.0028090 k( 356) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0028090 Dense grid: 21595 G-vectors FFT dimensions: ( 40, 40, 40) Smooth grid: 14331 G-vectors FFT dimensions: ( 36, 36, 36) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.07 Mb ( 110, 44) NL pseudopotentials 0.11 Mb ( 55, 136) Each V/rho on FFT grid 0.05 Mb ( 3200) Each G-vector array 0.00 Mb ( 602) G-vector shells 0.00 Mb ( 214) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.30 Mb ( 110, 176) Each subspace H/S matrix 0.03 Mb ( 44, 44) Each matrix 0.18 Mb ( 136, 2, 44) The potential is recalculated from file : ./CuNi2Sb.save/charge-density.dat Starting wfc are 62 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.3 secs Computing kpt #: 2 total cpu time spent up to now is 3.6 secs Computing kpt #: 3 total cpu time spent up to now is 3.9 secs Computing kpt #: 4 total cpu time spent up to now is 4.2 secs Computing kpt #: 5 total cpu time spent up to now is 4.5 secs Computing kpt #: 6 total cpu time spent up to now is 4.8 secs Computing kpt #: 7 total cpu time spent up to now is 5.0 secs Computing kpt #: 8 total cpu time spent up to now is 5.3 secs Computing kpt #: 9 total cpu time spent up to now is 5.6 secs Computing kpt #: 10 total cpu time spent up to now is 5.9 secs Computing kpt #: 11 total cpu time spent up to now is 6.1 secs Computing kpt #: 12 total cpu time spent up to now is 6.4 secs Computing kpt #: 13 total cpu time spent up to now is 6.7 secs Computing kpt #: 14 total cpu time spent up to now is 7.0 secs Computing kpt #: 15 total cpu time spent up to now is 7.2 secs Computing kpt #: 16 total cpu time spent up to now is 7.5 secs Computing kpt #: 17 total cpu time spent up to now is 7.7 secs Computing kpt #: 18 total cpu time spent up to now is 8.0 secs Computing kpt #: 19 total cpu time spent up to now is 8.3 secs Computing kpt #: 20 total cpu time spent up to now is 8.5 secs Computing kpt #: 21 total cpu time spent up to now is 8.8 secs Computing kpt #: 22 total cpu time spent up to now is 9.1 secs Computing kpt #: 23 total cpu time spent up to now is 9.3 secs Computing kpt #: 24 total cpu time spent up to now is 9.6 secs Computing kpt #: 25 total cpu time spent up to now is 9.8 secs Computing kpt #: 26 total cpu time spent up to now is 10.1 secs Computing kpt #: 27 total cpu time spent up to now is 10.4 secs Computing kpt #: 28 total cpu time spent up to now is 10.6 secs Computing kpt #: 29 total cpu time spent up to now is 10.9 secs Computing kpt #: 30 total cpu time 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is 20.2 secs Computing kpt #: 62 total cpu time spent up to now is 20.5 secs Computing kpt #: 63 total cpu time spent up to now is 20.8 secs Computing kpt #: 64 total cpu time spent up to now is 21.0 secs Computing kpt #: 65 total cpu time spent up to now is 21.3 secs Computing kpt #: 66 total cpu time spent up to now is 21.6 secs Computing kpt #: 67 total cpu time spent up to now is 21.8 secs Computing kpt #: 68 total cpu time spent up to now is 22.1 secs Computing kpt #: 69 total cpu time spent up to now is 22.3 secs Computing kpt #: 70 total cpu time spent up to now is 22.5 secs Computing kpt #: 71 total cpu time spent up to now is 22.7 secs Computing kpt #: 72 total cpu time spent up to now is 23.0 secs Computing kpt #: 73 total cpu time spent up to now is 23.2 secs Computing kpt #: 74 total cpu time spent up to now is 23.4 secs Computing kpt #: 75 total cpu time spent up to now is 23.6 secs Computing kpt #: 76 total cpu time spent up to now is 23.9 secs Computing kpt #: 77 total cpu time spent up to now is 24.1 secs Computing kpt #: 78 total cpu time spent up to now is 24.3 secs Computing kpt #: 79 total cpu time spent up to now is 24.5 secs Computing kpt #: 80 total cpu time spent up to now is 24.8 secs Computing kpt #: 81 total cpu time spent up to now is 25.0 secs Computing kpt #: 82 total cpu time spent up to now is 25.3 secs Computing kpt #: 83 total cpu time spent up to now is 25.5 secs Computing kpt #: 84 total cpu time spent up to now is 25.8 secs Computing kpt #: 85 total cpu time spent up to now is 26.0 secs Computing kpt #: 86 total cpu time spent up to now is 26.3 secs Computing kpt #: 87 total cpu time spent up to now is 26.5 secs Computing kpt #: 88 total cpu time spent up to now is 26.7 secs Computing kpt #: 89 total cpu time spent up to now is 26.9 secs Computing kpt #: 90 total cpu time spent up to now is 27.2 secs Computing kpt #: 91 total cpu time spent up to now is 27.4 secs Computing kpt #: 92 total cpu time spent up to now is 27.6 secs 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35.8 secs Computing kpt #: 124 total cpu time spent up to now is 36.1 secs Computing kpt #: 125 total cpu time spent up to now is 36.4 secs Computing kpt #: 126 total cpu time spent up to now is 36.7 secs Computing kpt #: 127 total cpu time spent up to now is 36.9 secs Computing kpt #: 128 total cpu time spent up to now is 37.2 secs Computing kpt #: 129 total cpu time spent up to now is 37.5 secs Computing kpt #: 130 total cpu time spent up to now is 37.8 secs Computing kpt #: 131 total cpu time spent up to now is 38.0 secs Computing kpt #: 132 total cpu time spent up to now is 38.3 secs Computing kpt #: 133 total cpu time spent up to now is 38.6 secs Computing kpt #: 134 total cpu time spent up to now is 38.8 secs Computing kpt #: 135 total cpu time spent up to now is 39.1 secs Computing kpt #: 136 total cpu time spent up to now is 39.3 secs Computing kpt #: 137 total cpu time spent up to now is 39.6 secs Computing kpt #: 138 total cpu time spent up to now is 39.8 secs Computing kpt 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secs Computing kpt #: 170 total cpu time spent up to now is 48.4 secs Computing kpt #: 171 total cpu time spent up to now is 48.6 secs Computing kpt #: 172 total cpu time spent up to now is 48.9 secs Computing kpt #: 173 total cpu time spent up to now is 49.2 secs Computing kpt #: 174 total cpu time spent up to now is 49.4 secs Computing kpt #: 175 total cpu time spent up to now is 49.7 secs Computing kpt #: 176 total cpu time spent up to now is 50.0 secs Computing kpt #: 177 total cpu time spent up to now is 50.3 secs Computing kpt #: 178 total cpu time spent up to now is 50.5 secs Computing kpt #: 179 total cpu time spent up to now is 50.8 secs Computing kpt #: 180 total cpu time spent up to now is 51.1 secs Computing kpt #: 181 total cpu time spent up to now is 51.3 secs Computing kpt #: 182 total cpu time spent up to now is 51.6 secs Computing kpt #: 183 total cpu time spent up to now is 51.8 secs Computing kpt #: 184 total cpu time spent up to now is 52.1 secs Computing kpt #: 185 total cpu time spent up to now is 52.3 secs Computing kpt #: 186 total cpu time spent up to now is 52.6 secs Computing kpt #: 187 total cpu time spent up to now is 52.8 secs Computing kpt #: 188 total cpu time spent up to now is 53.1 secs Computing kpt #: 189 total cpu time spent up to now is 53.3 secs Computing kpt #: 190 total cpu time spent up to now is 53.6 secs Computing kpt #: 191 total cpu time spent up to now is 53.8 secs Computing kpt #: 192 total cpu time spent up to now is 54.0 secs Computing kpt #: 193 total cpu time spent up to now is 54.3 secs Computing kpt #: 194 total cpu time spent up to now is 54.5 secs Computing kpt #: 195 total cpu time spent up to now is 54.8 secs Computing kpt #: 196 total cpu time spent up to now is 55.0 secs Computing kpt #: 197 total cpu time spent up to now is 55.2 secs Computing kpt #: 198 total cpu time spent up to now is 55.5 secs Computing kpt #: 199 total cpu time spent up to now is 55.7 secs Computing kpt #: 200 total cpu time spent up 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total cpu time spent up to now is 62.8 secs Computing kpt #: 232 total cpu time spent up to now is 63.0 secs Computing kpt #: 233 total cpu time spent up to now is 63.3 secs Computing kpt #: 234 total cpu time spent up to now is 63.5 secs Computing kpt #: 235 total cpu time spent up to now is 63.9 secs Computing kpt #: 236 total cpu time spent up to now is 64.1 secs Computing kpt #: 237 total cpu time spent up to now is 64.4 secs Computing kpt #: 238 total cpu time spent up to now is 64.7 secs Computing kpt #: 239 total cpu time spent up to now is 64.9 secs Computing kpt #: 240 total cpu time spent up to now is 65.2 secs Computing kpt #: 241 total cpu time spent up to now is 65.5 secs Computing kpt #: 242 total cpu time spent up to now is 65.8 secs Computing kpt #: 243 total cpu time spent up to now is 66.0 secs Computing kpt #: 244 total cpu time spent up to now is 66.3 secs Computing kpt #: 245 total cpu time spent up to now is 66.6 secs Computing kpt #: 246 total cpu time spent up to now is 66.8 secs Computing kpt #: 247 total cpu time spent up to now is 67.1 secs Computing kpt #: 248 total cpu time spent up to now is 67.3 secs Computing kpt #: 249 total cpu time spent up to now is 67.6 secs Computing kpt #: 250 total cpu time spent up to now is 67.8 secs Computing kpt #: 251 total cpu time spent up to now is 68.1 secs Computing kpt #: 252 total cpu time spent up to now is 68.3 secs Computing kpt #: 253 total cpu time spent up to now is 68.5 secs Computing kpt #: 254 total cpu time spent up to now is 68.8 secs Computing kpt #: 255 total cpu time spent up to now is 69.0 secs Computing kpt #: 256 total cpu time spent up to now is 69.2 secs Computing kpt #: 257 total cpu time spent up to now is 69.4 secs Computing kpt #: 258 total cpu time spent up to now is 69.7 secs Computing kpt #: 259 total cpu time spent up to now is 69.9 secs Computing kpt #: 260 total cpu time spent up to now is 70.1 secs Computing kpt #: 261 total cpu time spent up to now is 70.4 secs Computing kpt #: 262 total cpu time spent up to now is 70.6 secs Computing kpt #: 263 total cpu time spent up to now is 70.9 secs Computing kpt #: 264 total cpu time spent up to now is 71.2 secs Computing kpt #: 265 total cpu time spent up to now is 71.4 secs Computing kpt #: 266 total cpu time spent up to now is 71.7 secs Computing kpt #: 267 total cpu time spent up to now is 71.9 secs Computing kpt #: 268 total cpu time spent up to now is 72.2 secs Computing kpt #: 269 total cpu time spent up to now is 72.5 secs Computing kpt #: 270 total cpu time spent up to now is 72.7 secs Computing kpt #: 271 total cpu time spent up to now is 73.0 secs Computing kpt #: 272 total cpu time spent up to now is 73.3 secs Computing kpt #: 273 total cpu time spent up to now is 73.5 secs Computing kpt #: 274 total cpu time spent up to now is 73.8 secs Computing kpt #: 275 total cpu time spent up to now is 74.1 secs Computing kpt #: 276 total cpu time spent up to now is 74.4 secs Computing kpt #: 277 total cpu time spent up to now is 74.6 secs Computing kpt #: 278 total cpu time spent up to now is 74.9 secs Computing kpt #: 279 total cpu time spent up to now is 75.2 secs Computing kpt #: 280 total cpu time spent up to now is 75.5 secs Computing kpt #: 281 total cpu time spent up to now is 75.8 secs Computing kpt #: 282 total cpu time spent up to now is 76.0 secs Computing kpt #: 283 total cpu time spent up to now is 76.3 secs Computing kpt #: 284 total cpu time spent up to now is 76.5 secs Computing kpt #: 285 total cpu time spent up to now is 76.8 secs Computing kpt #: 286 total cpu time spent up to now is 77.0 secs Computing kpt #: 287 total cpu time spent up to now is 77.2 secs Computing kpt #: 288 total cpu time spent up to now is 77.4 secs Computing kpt #: 289 total cpu time spent up to now is 77.7 secs Computing kpt #: 290 total cpu time spent up to now is 77.9 secs Computing kpt #: 291 total cpu time spent up to now is 78.1 secs Computing kpt #: 292 total cpu time spent up to now is 78.3 secs Computing kpt #: 293 total cpu time spent up to now is 78.5 secs Computing kpt #: 294 total cpu time spent up to now is 78.8 secs Computing kpt #: 295 total cpu time spent up to now is 79.0 secs Computing kpt #: 296 total cpu time spent up to now is 79.2 secs Computing kpt #: 297 total cpu time spent up to now is 79.4 secs Computing kpt #: 298 total cpu time spent up to now is 79.6 secs Computing kpt #: 299 total cpu time spent up to now is 79.9 secs Computing kpt #: 300 total cpu time spent up to now is 80.1 secs Computing kpt #: 301 total cpu time spent up to now is 80.3 secs Computing kpt #: 302 total cpu time spent up to now is 80.5 secs Computing kpt #: 303 total cpu time spent up to now is 80.6 secs Computing kpt #: 304 total cpu time spent up to now is 80.9 secs Computing kpt #: 305 total cpu time spent up to now is 81.1 secs Computing kpt #: 306 total cpu time spent up to now is 81.4 secs Computing kpt #: 307 total cpu time spent up to now is 81.6 secs Computing kpt #: 308 total cpu time spent up to now is 81.9 secs Computing kpt #: 309 total cpu time spent up to now is 82.1 secs Computing kpt #: 310 total cpu time spent up to now is 82.3 secs Computing kpt #: 311 total cpu time spent up to now is 82.5 secs Computing kpt #: 312 total cpu time spent up to now is 82.7 secs Computing kpt #: 313 total cpu time spent up to now is 83.0 secs Computing kpt #: 314 total cpu time spent up to now is 83.2 secs Computing kpt #: 315 total cpu time spent up to now is 83.4 secs Computing kpt #: 316 total cpu time spent up to now is 83.6 secs Computing kpt #: 317 total cpu time spent up to now is 83.8 secs Computing kpt #: 318 total cpu time spent up to now is 84.1 secs Computing kpt #: 319 total cpu time spent up to now is 84.3 secs Computing kpt #: 320 total cpu time spent up to now is 84.5 secs Computing kpt #: 321 total cpu time spent up to now is 84.7 secs Computing kpt #: 322 total cpu time spent up to now is 85.0 secs Computing kpt #: 323 total cpu time spent up to now is 85.2 secs Computing kpt #: 324 total cpu time spent up to now is 85.5 secs Computing kpt #: 325 total cpu time spent up to now is 85.7 secs Computing kpt #: 326 total cpu time spent up to now is 86.0 secs Computing kpt #: 327 total cpu time spent up to now is 86.3 secs Computing kpt #: 328 total cpu time spent up to now is 86.6 secs Computing kpt #: 329 total cpu time spent up to now is 86.9 secs Computing kpt #: 330 total cpu time spent up to now is 87.1 secs Computing kpt #: 331 total cpu time spent up to now is 87.4 secs Computing kpt #: 332 total cpu time spent up to now is 87.7 secs Computing kpt #: 333 total cpu time spent up to now is 87.9 secs Computing kpt #: 334 total cpu time spent up to now is 88.2 secs Computing kpt #: 335 total cpu time spent up to now is 88.5 secs Computing kpt #: 336 total cpu time spent up to now is 88.7 secs Computing kpt #: 337 total cpu time spent up to now is 89.0 secs Computing kpt #: 338 total cpu time spent up to now is 89.3 secs Computing kpt #: 339 total cpu time spent up to now is 89.6 secs Computing kpt #: 340 total cpu time spent up to now is 89.9 secs Computing kpt #: 341 total cpu time spent up to now is 90.2 secs Computing kpt #: 342 total cpu time spent up to now is 90.5 secs Computing kpt #: 343 total cpu time spent up to now is 90.8 secs Computing kpt #: 344 total cpu time spent up to now is 91.0 secs Computing kpt #: 345 total cpu time spent up to now is 91.3 secs Computing kpt #: 346 total cpu time spent up to now is 91.6 secs Computing kpt #: 347 total cpu time spent up to now is 91.9 secs Computing kpt #: 348 total cpu time spent up to now is 92.2 secs Computing kpt #: 349 total cpu time spent up to now is 92.5 secs Computing kpt #: 350 total cpu time spent up to now is 92.8 secs Computing kpt #: 351 total cpu time spent up to now is 93.2 secs Computing kpt #: 352 total cpu time spent up to now is 93.5 secs Computing kpt #: 353 total cpu time spent up to now is 93.8 secs Computing kpt #: 354 total cpu time spent up to now is 94.2 secs Computing kpt #: 355 total cpu time spent up to now is 94.5 secs Computing kpt #: 356 total cpu time spent up to now is 94.8 secs ethr = 2.78E-08, avg # of iterations = 18.4 total cpu time spent up to now is 94.8 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 1807 PWs) bands (ev): 0.8423 0.8423 9.3718 9.3718 9.6100 9.6100 9.6100 9.6100 10.0876 10.0876 10.0876 10.0876 10.5335 10.5335 10.5335 10.5335 10.6542 10.6542 12.2963 12.2963 12.2963 12.2963 12.7726 12.7726 12.7726 12.7726 12.9040 12.9040 13.2375 13.2375 13.2375 13.2375 15.0324 15.0324 16.3310 16.3310 16.8651 16.8651 16.8651 16.8651 17.9505 17.9505 18.0084 18.0084 k = 0.0093-0.0053 0.0076 ( 1807 PWs) bands (ev): 0.8436 0.8436 9.3701 9.3701 9.6060 9.6060 9.6103 9.6103 10.0880 10.0880 10.0907 10.0907 10.5331 10.5331 10.5336 10.5336 10.6540 10.6540 12.2959 12.2959 12.2963 12.2963 12.7714 12.7714 12.7719 12.7719 12.9029 12.9029 13.2368 13.2368 13.2375 13.2375 15.0321 15.0321 16.3289 16.3289 16.8552 16.8552 16.8639 16.8639 17.9536 17.9536 18.0083 18.0083 k = 0.0185-0.0107 0.0151 ( 1807 PWs) bands (ev): 0.8478 0.8478 9.3647 9.3647 9.5946 9.5946 9.6110 9.6110 10.0894 10.0894 10.0998 10.0998 10.5321 10.5321 10.5340 10.5340 10.6535 10.6535 12.2947 12.2947 12.2964 12.2964 12.7678 12.7678 12.7700 12.7700 12.8997 12.8997 13.2346 13.2346 13.2374 13.2374 15.0312 15.0312 16.3220 16.3220 16.8261 16.8261 16.8607 16.8607 17.9545 17.9545 18.0159 18.0159 k = 0.0278-0.0160 0.0227 ( 1808 PWs) bands (ev): 0.8547 0.8547 9.3547 9.3547 9.5779 9.5779 9.6123 9.6123 10.0918 10.0918 10.1137 10.1137 10.5303 10.5303 10.5346 10.5346 10.6526 10.6526 12.2926 12.2926 12.2965 12.2965 12.7619 12.7619 12.7669 12.7669 12.8944 12.8944 13.2309 13.2309 13.2372 13.2372 15.0296 15.0296 16.3094 16.3094 16.7801 16.7801 16.8570 16.8570 17.9401 17.9401 18.0405 18.0405 k = 0.0370-0.0214 0.0302 ( 1816 PWs) bands (ev): 0.8644 0.8644 9.3388 9.3388 9.5587 9.5587 9.6140 9.6140 10.0951 10.0951 10.1311 10.1311 10.5275 10.5275 10.5352 10.5352 10.6513 10.6513 12.2897 12.2897 12.2967 12.2967 12.7534 12.7534 12.7622 12.7622 12.8869 12.8869 13.2259 13.2259 13.2370 13.2370 15.0272 15.0272 16.2893 16.2893 16.7200 16.7200 16.8547 16.8547 17.9129 17.9129 18.0652 18.0652 k = 0.0463-0.0267 0.0378 ( 1816 PWs) bands (ev): 0.8768 0.8768 9.3152 9.3152 9.5401 9.5401 9.6162 9.6162 10.0993 10.0993 10.1508 10.1508 10.5240 10.5240 10.5363 10.5363 10.6500 10.6500 12.2861 12.2861 12.2968 12.2968 12.7430 12.7430 12.7564 12.7564 12.8778 12.8778 13.2195 13.2195 13.2367 13.2367 15.0237 15.0237 16.2602 16.2602 16.6484 16.6484 16.8555 16.8555 17.8773 17.8773 18.0966 18.0966 k = 0.0556-0.0321 0.0454 ( 1816 PWs) bands (ev): 0.8920 0.8920 9.2829 9.2829 9.5244 9.5244 9.6189 9.6189 10.1045 10.1045 10.1718 10.1718 10.5196 10.5196 10.5377 10.5377 10.6485 10.6485 12.2817 12.2817 12.2969 12.2969 12.7305 12.7305 12.7491 12.7491 12.8668 12.8668 13.2118 13.2118 13.2363 13.2363 15.0190 15.0190 16.2211 16.2211 16.5678 16.5678 16.8606 16.8606 17.8359 17.8359 18.1345 18.1345 k = 0.0648-0.0374 0.0529 ( 1816 PWs) bands (ev): 0.9099 0.9099 9.2418 9.2418 9.5128 9.5128 9.6221 9.6221 10.1105 10.1105 10.1933 10.1933 10.5141 10.5141 10.5392 10.5392 10.6471 10.6471 12.2764 12.2764 12.2969 12.2969 12.7160 12.7160 12.7405 12.7405 12.8544 12.8544 13.2031 13.2031 13.2359 13.2359 15.0129 15.0129 16.1718 16.1718 16.4801 16.4801 16.8702 16.8702 17.7902 17.7902 18.1786 18.1786 k = 0.0741-0.0428 0.0605 ( 1812 PWs) bands (ev): 0.9305 0.9305 9.1930 9.1930 9.5049 9.5049 9.6258 9.6258 10.1175 10.1175 10.2151 10.2151 10.5074 10.5074 10.5411 10.5411 10.6457 10.6457 12.2704 12.2704 12.2965 12.2965 12.6999 12.6999 12.7303 12.7303 12.8406 12.8406 13.1932 13.1932 13.2354 13.2354 15.0049 15.0049 16.1129 16.1129 16.3870 16.3870 16.8830 16.8830 17.7416 17.7416 18.2286 18.2286 k = 0.0833-0.0481 0.0680 ( 1812 PWs) bands (ev): 0.9538 0.9538 9.1379 9.1379 9.5001 9.5001 9.6299 9.6299 10.1253 10.1253 10.2361 10.2361 10.4996 10.4996 10.5431 10.5431 10.6444 10.6444 12.2635 12.2635 12.2959 12.2959 12.6819 12.6819 12.7185 12.7185 12.8257 12.8257 13.1825 13.1825 13.2349 13.2349 14.9949 14.9949 16.0455 16.0455 16.2897 16.2897 16.8971 16.8971 17.6912 17.6912 18.2844 18.2844 k = 0.0926-0.0535 0.0756 ( 1808 PWs) bands (ev): 0.9797 0.9797 9.0776 9.0776 9.4978 9.4978 9.6346 9.6346 10.1339 10.1339 10.2566 10.2566 10.4905 10.4905 10.5454 10.5454 10.6435 10.6435 12.2559 12.2559 12.2949 12.2949 12.6624 12.6624 12.7051 12.7051 12.8099 12.8099 13.1712 13.1712 13.2343 13.2343 14.9825 14.9825 15.9708 15.9708 16.1892 16.1892 16.9097 16.9097 17.6398 17.6398 18.3454 18.3454 k = 0.1019-0.0588 0.0832 ( 1816 PWs) bands (ev): 1.0084 1.0084 9.0132 9.0132 9.4971 9.4971 9.6396 9.6396 10.1434 10.1434 10.2762 10.2762 10.4802 10.4802 10.5478 10.5478 10.6427 10.6427 12.2475 12.2475 12.2933 12.2933 12.6415 12.6415 12.6900 12.6900 12.7934 12.7934 13.1587 13.1587 13.2336 13.2336 14.9673 14.9673 15.8901 15.8901 16.0861 16.0861 16.9180 16.9180 17.5882 17.5882 18.4113 18.4113 k = 0.1111-0.0642 0.0907 ( 1812 PWs) bands (ev): 1.0396 1.0396 8.9457 8.9457 9.4980 9.4980 9.6453 9.6453 10.1536 10.1536 10.2946 10.2946 10.4686 10.4686 10.5507 10.5507 10.6424 10.6424 12.2383 12.2383 12.2911 12.2911 12.6194 12.6194 12.6732 12.6732 12.7765 12.7765 13.1460 13.1460 13.2330 13.2330 14.9490 14.9490 15.8046 15.8046 15.9814 15.9814 16.9189 16.9189 17.5370 17.5370 18.4816 18.4816 k = 0.1204-0.0695 0.0983 ( 1804 PWs) bands (ev): 1.0735 1.0735 8.8756 8.8756 9.4998 9.4998 9.6513 9.6513 10.1648 10.1648 10.3123 10.3123 10.4558 10.4558 10.5536 10.5536 10.6424 10.6424 12.2283 12.2283 12.2883 12.2883 12.5965 12.5965 12.6549 12.6549 12.7595 12.7595 13.1329 13.1329 13.2322 13.2322 14.9272 14.9272 15.7154 15.7154 15.8754 15.8754 16.9099 16.9099 17.4867 17.4867 18.5556 18.5556 k = 0.1296-0.0748 0.1058 ( 1804 PWs) bands (ev): 1.1099 1.1099 8.8035 8.8035 9.5024 9.5024 9.6577 9.6577 10.1762 10.1762 10.3290 10.3290 10.4418 10.4418 10.5567 10.5567 10.6427 10.6427 12.2175 12.2175 12.2846 12.2846 12.5725 12.5725 12.6349 12.6349 12.7423 12.7423 13.1194 13.1194 13.2314 13.2314 14.9015 14.9015 15.6232 15.6232 15.7686 15.7686 16.8893 16.8893 17.4375 17.4375 18.6329 18.6329 k = 0.1389-0.0802 0.1134 ( 1796 PWs) bands (ev): 1.1489 1.1489 8.7299 8.7299 9.5059 9.5059 9.6648 9.6648 10.1881 10.1881 10.3445 10.3445 10.4268 10.4268 10.5601 10.5601 10.6435 10.6435 12.2060 12.2060 12.2799 12.2799 12.5479 12.5479 12.6136 12.6136 12.7250 12.7250 13.1057 13.1057 13.2307 13.2307 14.8714 14.8714 15.5288 15.5288 15.6613 15.6613 16.8565 16.8565 17.3898 17.3898 18.7131 18.7131 k = 0.1481-0.0855 0.1210 ( 1796 PWs) bands (ev): 1.1903 1.1903 8.6550 8.6550 9.5099 9.5099 9.6721 9.6721 10.2001 10.2001 10.3589 10.3589 10.4112 10.4112 10.5634 10.5634 10.6444 10.6444 12.1937 12.1937 12.2742 12.2742 12.5227 12.5227 12.5910 12.5910 12.7079 12.7079 13.0920 13.0920 13.2299 13.2299 14.8366 14.8366 15.4327 15.4327 15.5539 15.5539 16.8123 16.8123 17.3437 17.3437 18.7965 18.7965 k = 0.1574-0.0909 0.1285 ( 1800 PWs) bands (ev): 1.2343 1.2343 8.5792 8.5792 9.5144 9.5144 9.6798 9.6798 10.2119 10.2119 10.3720 10.3720 10.3952 10.3952 10.5668 10.5668 10.6456 10.6456 12.1806 12.1806 12.2672 12.2672 12.4971 12.4971 12.5674 12.5674 12.6908 12.6908 13.0781 13.0781 13.2290 13.2290 14.7967 14.7967 15.3354 15.3354 15.4466 15.4466 16.7585 16.7585 17.2995 17.2995 18.8835 18.8835 k = 0.1667-0.0962 0.1361 ( 1800 PWs) bands (ev): 1.2806 1.2806 8.5029 8.5029 9.5193 9.5193 9.6880 9.6880 10.2227 10.2227 10.3798 10.3798 10.3839 10.3839 10.5702 10.5702 10.6472 10.6472 12.1668 12.1668 12.2589 12.2589 12.4713 12.4713 12.5430 12.5430 12.6738 12.6738 13.0643 13.0643 13.2280 13.2280 14.7516 14.7516 15.2375 15.2375 15.3397 15.3397 16.6975 16.6975 17.2572 17.2572 18.9749 18.9749 k = 0.1759-0.1016 0.1436 ( 1796 PWs) bands (ev): 1.3292 1.3292 8.4263 8.4263 9.5247 9.5247 9.6966 9.6966 10.2312 10.2312 10.3663 10.3663 10.3945 10.3945 10.5737 10.5737 10.6491 10.6491 12.1523 12.1523 12.2494 12.2494 12.4455 12.4455 12.5182 12.5182 12.6571 12.6571 13.0506 13.0506 13.2271 13.2271 14.7010 14.7010 15.1393 15.1393 15.2333 15.2333 16.6322 16.6322 17.2169 17.2169 19.0714 19.0714 k = 0.1852-0.1069 0.1512 ( 1796 PWs) bands (ev): 1.3802 1.3802 8.3495 8.3495 9.5305 9.5305 9.7056 9.7056 10.2352 10.2352 10.3568 10.3568 10.4037 10.4037 10.5770 10.5770 10.6513 10.6513 12.1371 12.1371 12.2381 12.2381 12.4196 12.4196 12.4930 12.4930 12.6405 12.6405 13.0370 13.0370 13.2261 13.2261 14.6451 14.6451 15.0410 15.0410 15.1277 15.1277 16.5652 16.5652 17.1785 17.1785 19.1734 19.1734 k = 0.1944-0.1123 0.1588 ( 1800 PWs) bands (ev): 1.4334 1.4334 8.2729 8.2729 9.5366 9.5366 9.7149 9.7149 10.2324 10.2324 10.3539 10.3539 10.4113 10.4113 10.5801 10.5801 10.6536 10.6536 12.1211 12.1211 12.2247 12.2247 12.3937 12.3937 12.4676 12.4676 12.6242 12.6242 13.0235 13.0235 13.2251 13.2251 14.5841 14.5841 14.9430 14.9430 15.0231 15.0231 16.4987 16.4987 17.1422 17.1422 19.2808 19.2808 k = 0.2037-0.1176 0.1663 ( 1800 PWs) bands (ev): 1.4887 1.4887 8.1965 8.1965 9.5431 9.5431 9.7246 9.7246 10.2220 10.2220 10.3584 10.3584 10.4173 10.4173 10.5830 10.5830 10.6562 10.6562 12.1045 12.1045 12.2100 12.2100 12.3679 12.3679 12.4423 12.4423 12.6083 12.6083 13.0102 13.0102 13.2240 13.2240 14.5185 14.5185 14.8454 14.8454 14.9194 14.9194 16.4347 16.4347 17.1077 17.1077 19.3934 19.3934 k = 0.2130-0.1230 0.1739 ( 1796 PWs) bands (ev): 1.5462 1.5462 8.1206 8.1206 9.5498 9.5498 9.7346 9.7346 10.2053 10.2053 10.3689 10.3689 10.4215 10.4215 10.5857 10.5857 10.6591 10.6591 12.0872 12.0872 12.1934 12.1934 12.3425 12.3425 12.4174 12.4174 12.5928 12.5928 12.9971 12.9971 13.2230 13.2230 14.4491 14.4491 14.7486 14.7486 14.8170 14.8170 16.3743 16.3743 17.0753 17.0753 19.5109 19.5109 k = 0.2222-0.1283 0.1814 ( 1804 PWs) bands (ev): 1.6056 1.6056 8.0453 8.0453 9.5567 9.5567 9.7449 9.7449 10.1844 10.1844 10.3835 10.3835 10.4235 10.4235 10.5879 10.5879 10.6620 10.6620 12.0692 12.0692 12.1748 12.1748 12.3173 12.3173 12.3927 12.3927 12.5777 12.5777 12.9842 12.9842 13.2215 13.2215 14.3769 14.3769 14.6526 14.6526 14.7158 14.7158 16.3185 16.3185 17.0446 17.0446 19.6330 19.6330 k = 0.2315-0.1336 0.1890 ( 1804 PWs) bands (ev): 1.6670 1.6670 7.9707 7.9707 9.5639 9.5639 9.7555 9.7555 10.1608 10.1608 10.4007 10.4007 10.4233 10.4233 10.5899 10.5899 10.6652 10.6652 12.0506 12.0506 12.1544 12.1544 12.2924 12.2924 12.3685 12.3685 12.5632 12.5632 12.9715 12.9715 13.2204 13.2204 14.3028 14.3028 14.5577 14.5577 14.6160 14.6160 16.2675 16.2675 17.0158 17.0158 19.7592 19.7592 k = 0.2407-0.1390 0.1966 ( 1812 PWs) bands (ev): 1.7302 1.7302 7.8970 7.8970 9.5713 9.5713 9.7664 9.7664 10.1354 10.1354 10.4198 10.4198 10.4203 10.4203 10.5914 10.5914 10.6685 10.6685 12.0314 12.0314 12.1317 12.1317 12.2677 12.2677 12.3448 12.3448 12.5492 12.5492 12.9589 12.9589 13.2192 13.2192 14.2281 14.2281 14.4641 14.4641 14.5177 14.5177 16.2215 16.2215 16.9888 16.9888 19.8892 19.8892 k = 0.2500-0.1443 0.2041 ( 1812 PWs) bands (ev): 1.7951 1.7951 7.8242 7.8242 9.5789 9.5789 9.7775 9.7775 10.1089 10.1089 10.4142 10.4142 10.4402 10.4402 10.5929 10.5929 10.6721 10.6721 12.0117 12.0117 12.1072 12.1072 12.2440 12.2440 12.3220 12.3220 12.5359 12.5359 12.9466 12.9466 13.2181 13.2181 14.1541 14.1541 14.3720 14.3720 14.4210 14.4210 16.1805 16.1805 16.9634 16.9634 20.0228 20.0228 k = 0.2593-0.1497 0.2117 ( 1812 PWs) bands (ev): 1.8616 1.8616 7.7524 7.7524 9.5866 9.5866 9.7888 9.7888 10.0815 10.0815 10.4045 10.4045 10.4615 10.4615 10.5944 10.5944 10.6760 10.6760 11.9914 11.9914 12.0808 12.0808 12.2211 12.2211 12.3002 12.3002 12.5232 12.5232 12.9345 12.9345 13.2169 13.2169 14.0819 14.0819 14.2813 14.2813 14.3260 14.3260 16.1439 16.1439 16.9397 16.9397 20.1597 20.1597 k = 0.2685-0.1550 0.2192 ( 1800 PWs) bands (ev): 1.9295 1.9295 7.6819 7.6819 9.5944 9.5944 9.8003 9.8003 10.0537 10.0537 10.3909 10.3909 10.4836 10.4836 10.5959 10.5959 10.6802 10.6802 11.9705 11.9705 12.0527 12.0527 12.1995 12.1995 12.2794 12.2794 12.5115 12.5115 12.9228 12.9228 13.2157 13.2157 14.0125 14.0125 14.1924 14.1924 14.2328 14.2328 16.1117 16.1117 16.9175 16.9175 20.2997 20.2997 k = 0.2778-0.1604 0.2268 ( 1788 PWs) bands (ev): 1.9988 1.9988 7.6124 7.6124 9.6024 9.6024 9.8119 9.8119 10.0257 10.0257 10.3728 10.3728 10.5062 10.5062 10.5978 10.5978 10.6849 10.6849 11.9493 11.9493 12.0228 12.0228 12.1794 12.1794 12.2599 12.2599 12.5005 12.5005 12.9111 12.9111 13.2145 13.2145 13.9466 13.9466 14.1052 14.1052 14.1414 14.1414 16.0832 16.0832 16.8968 16.8968 20.4426 20.4426 k = 0.2870-0.1657 0.2344 ( 1796 PWs) bands (ev): 2.0693 2.0693 7.5442 7.5442 9.6103 9.6103 9.8235 9.8235 9.9975 9.9975 10.3498 10.3498 10.5290 10.5290 10.5995 10.5995 10.6898 10.6898 11.9274 11.9274 11.9917 11.9917 12.1604 12.1604 12.2413 12.2413 12.4898 12.4898 12.8996 12.8996 13.2132 13.2132 13.8851 13.8851 14.0198 14.0198 14.0517 14.0517 16.0581 16.0581 16.8774 16.8774 20.5884 20.5884 k = 0.2963-0.1711 0.2419 ( 1780 PWs) bands (ev): 2.1407 2.1407 7.4774 7.4774 9.6183 9.6183 9.8352 9.8352 9.9696 9.9696 10.3221 10.3221 10.5521 10.5521 10.6016 10.6016 10.6953 10.6953 11.9051 11.9051 11.9601 11.9601 12.1431 12.1431 12.2240 12.2240 12.4803 12.4803 12.8884 12.8884 13.2123 13.2123 13.8282 13.8282 13.9368 13.9368 13.9642 13.9642 16.0362 16.0362 16.8594 16.8594 20.7368 20.7368 k = 0.3056-0.1764 0.2495 ( 1780 PWs) bands (ev): 2.2130 2.2130 7.4119 7.4119 9.6263 9.6263 9.8466 9.8466 9.9419 9.9419 10.2891 10.2891 10.5747 10.5747 10.6038 10.6038 10.7017 10.7017 11.8822 11.8822 11.9284 11.9284 12.1273 12.1273 12.2081 12.2081 12.4713 12.4713 12.8774 12.8774 13.2109 13.2109 13.7758 13.7758 13.8563 13.8563 13.8787 13.8787 16.0169 16.0169 16.8427 16.8427 20.8876 20.8876 k = 0.3148-0.1818 0.2570 ( 1772 PWs) bands (ev): 2.2858 2.2858 7.3478 7.3478 9.6342 9.6342 9.8573 9.8573 9.9155 9.9155 10.2510 10.2510 10.5966 10.5966 10.6062 10.6062 10.7093 10.7093 11.8590 11.8590 11.8973 11.8973 12.1132 12.1132 12.1937 12.1937 12.4631 12.4631 12.8671 12.8671 13.2094 13.2094 13.7275 13.7275 13.7791 13.7791 13.7954 13.7954 15.9998 15.9998 16.8271 16.8271 21.0408 21.0408 k = 0.3241-0.1871 0.2646 ( 1760 PWs) bands (ev): 2.3591 2.3591 7.2852 7.2852 9.6421 9.6421 9.8644 9.8644 9.8930 9.8930 10.2081 10.2081 10.6090 10.6090 10.6171 10.6171 10.7189 10.7189 11.8352 11.8352 11.8675 11.8675 12.1008 12.1008 12.1807 12.1807 12.4557 12.4557 12.8567 12.8567 13.2078 13.2078 13.6785 13.6785 13.7101 13.7101 13.7144 13.7144 15.9849 15.9849 16.8127 16.8127 21.1962 21.1962 k = 0.3333-0.1925 0.2722 ( 1752 PWs) bands (ev): 2.4324 2.4324 7.2242 7.2242 9.6498 9.6498 9.8534 9.8534 9.8891 9.8891 10.1608 10.1608 10.6118 10.6118 10.6354 10.6354 10.7310 10.7310 11.8111 11.8111 11.8392 11.8392 12.0903 12.0903 12.1695 12.1695 12.4489 12.4489 12.8465 12.8465 13.2059 13.2059 13.6167 13.6167 13.6357 13.6357 13.6612 13.6612 15.9717 15.9717 16.7993 16.7993 21.3537 21.3537 k = 0.3426-0.1978 0.2797 ( 1752 PWs) bands (ev): 2.5056 2.5056 7.1647 7.1647 9.6572 9.6572 9.8303 9.8303 9.8978 9.8978 10.1095 10.1095 10.6145 10.6145 10.6506 10.6506 10.7462 10.7462 11.7867 11.7867 11.8130 11.8130 12.0811 12.0811 12.1597 12.1597 12.4428 12.4428 12.8366 12.8366 13.2036 13.2036 13.5483 13.5483 13.5593 13.5593 13.6260 13.6260 15.9601 15.9601 16.7870 16.7870 21.5132 21.5132 k = 0.3519-0.2031 0.2873 ( 1760 PWs) bands (ev): 2.5782 2.5782 7.1068 7.1068 9.6644 9.6644 9.8061 9.8061 9.9082 9.9082 10.0550 10.0550 10.6170 10.6170 10.6625 10.6625 10.7646 10.7646 11.7618 11.7618 11.7890 11.7890 12.0736 12.0736 12.1516 12.1516 12.4374 12.4374 12.8270 12.8270 13.2006 13.2006 13.4810 13.4810 13.4852 13.4852 13.5970 13.5970 15.9498 15.9498 16.7756 16.7756 21.6743 21.6743 k = 0.3611-0.2085 0.2948 ( 1760 PWs) bands (ev): 2.6502 2.6502 7.0508 7.0508 9.6713 9.6713 9.7824 9.7824 9.9188 9.9188 9.9981 9.9981 10.6198 10.6198 10.6718 10.6718 10.7859 10.7859 11.7367 11.7367 11.7675 11.7675 12.0677 12.0677 12.1451 12.1451 12.4325 12.4325 12.8178 12.8178 13.1964 13.1964 13.4139 13.4139 13.4171 13.4171 13.5723 13.5723 15.9408 15.9408 16.7652 16.7652 21.8370 21.8370 k = 0.3704-0.2138 0.3024 ( 1764 PWs) bands (ev): 2.7209 2.7209 6.9967 6.9967 9.6776 9.6776 9.7596 9.7596 9.9292 9.9292 9.9398 9.9398 10.6225 10.6225 10.6790 10.6790 10.8094 10.8094 11.7113 11.7113 11.7482 11.7482 12.0634 12.0634 12.1403 12.1403 12.4283 12.4283 12.8090 12.8090 13.1898 13.1898 13.3452 13.3452 13.3581 13.3581 13.5510 13.5510 15.9329 15.9329 16.7557 16.7557 22.0011 22.0011 k = 0.3796-0.2192 0.3100 ( 1764 PWs) bands (ev): 2.7901 2.7901 6.9445 6.9445 9.6832 9.6832 9.7380 9.7380 9.8813 9.8813 9.9393 9.9393 10.6251 10.6251 10.6847 10.6847 10.8343 10.8343 11.6858 11.6858 11.7315 11.7315 12.0607 12.0607 12.1373 12.1373 12.4246 12.4246 12.8005 12.8005 13.1781 13.1781 13.2794 13.2794 13.3070 13.3070 13.5331 13.5331 15.9259 15.9259 16.7469 16.7469 22.1662 22.1662 k = 0.3889-0.2245 0.3175 ( 1764 PWs) bands (ev): 2.8573 2.8573 6.8945 6.8945 9.6875 9.6875 9.7175 9.7175 9.8240 9.8240 9.9490 9.9490 10.6277 10.6277 10.6893 10.6893 10.8601 10.8601 11.6601 11.6601 11.7169 11.7169 12.0594 12.0594 12.1359 12.1359 12.4214 12.4214 12.7925 12.7925 13.1565 13.1565 13.2166 13.2166 13.2687 13.2687 13.5179 13.5179 15.9198 15.9198 16.7390 16.7390 22.3321 22.3321 k = 0.3981-0.2299 0.3251 ( 1764 PWs) bands (ev): 2.9220 2.9220 6.8469 6.8469 9.6881 9.6881 9.6983 9.6983 9.7711 9.7711 9.9583 9.9583 10.6301 10.6301 10.6932 10.6932 10.8865 10.8865 11.6343 11.6343 11.7044 11.7044 12.0596 12.0596 12.1361 12.1361 12.4186 12.4186 12.7850 12.7850 13.1227 13.1227 13.1569 13.1569 13.2458 13.2458 13.5051 13.5051 15.9144 15.9144 16.7318 16.7318 22.4983 22.4983 k = 0.4074-0.2352 0.3326 ( 1764 PWs) bands (ev): 2.9838 2.9838 6.8018 6.8018 9.6749 9.6749 9.6805 9.6805 9.7335 9.7335 9.9669 9.9669 10.6324 10.6324 10.6965 10.6965 10.9130 10.9130 11.6084 11.6084 11.6938 11.6938 12.0608 12.0608 12.1378 12.1378 12.4162 12.4162 12.7779 12.7779 13.0816 13.0816 13.1007 13.1007 13.2340 13.2340 13.4943 13.4943 15.9098 15.9098 16.7254 16.7254 22.6644 22.6644 k = 0.4167-0.2406 0.3402 ( 1764 PWs) bands (ev): 3.0421 3.0421 6.7596 6.7596 9.6373 9.6373 9.6643 9.6643 9.7226 9.7226 9.9750 9.9750 10.6346 10.6346 10.6992 10.6992 10.9395 10.9395 11.5830 11.5830 11.6848 11.6848 12.0633 12.0633 12.1409 12.1409 12.4142 12.4142 12.7714 12.7714 13.0384 13.0384 13.0480 13.0480 13.2276 13.2276 13.4854 13.4854 15.9057 15.9057 16.7196 16.7196 22.8295 22.8295 k = 0.4259-0.2459 0.3478 ( 1764 PWs) bands (ev): 3.0964 3.0964 6.7205 6.7205 9.5920 9.5920 9.6495 9.6495 9.7227 9.7227 9.9823 9.9823 10.6365 10.6365 10.7015 10.7015 10.9656 10.9656 11.5580 11.5580 11.6773 11.6773 12.0668 12.0668 12.1452 12.1452 12.4125 12.4125 12.7654 12.7654 12.9964 12.9964 12.9991 12.9991 13.2237 13.2237 13.4780 13.4780 15.9022 15.9022 16.7146 16.7146 22.9929 22.9929 k = 0.4352-0.2513 0.3553 ( 1760 PWs) bands (ev): 3.1461 3.1461 6.6848 6.6848 9.5481 9.5481 9.6365 9.6365 9.7250 9.7250 9.9890 9.9890 10.6382 10.6382 10.7035 10.7035 10.9910 10.9910 11.5336 11.5336 11.6713 11.6713 12.0709 12.0709 12.1505 12.1505 12.4112 12.4112 12.7601 12.7601 12.9543 12.9543 12.9573 12.9573 13.2211 13.2211 13.4720 13.4720 15.8992 15.8992 16.7102 16.7102 23.1531 23.1531 k = 0.4444-0.2566 0.3629 ( 1756 PWs) bands (ev): 3.1906 3.1906 6.6529 6.6529 9.5082 9.5082 9.6250 9.6250 9.7278 9.7278 9.9948 9.9948 10.6398 10.6398 10.7053 10.7053 11.0154 11.0154 11.5102 11.5102 11.6662 11.6662 12.0756 12.0756 12.1565 12.1565 12.4100 12.4100 12.7554 12.7554 12.9141 12.9141 12.9219 12.9219 13.2194 13.2194 13.4672 13.4672 15.8966 15.8966 16.7064 16.7064 23.3084 23.3084 k = 0.4537-0.2619 0.3704 ( 1756 PWs) bands (ev): 3.2294 3.2294 6.6252 6.6252 9.4732 9.4732 9.6152 9.6152 9.7304 9.7304 9.9998 9.9998 10.6411 10.6411 10.7066 10.7066 11.0383 11.0383 11.4883 11.4883 11.6622 11.6622 12.0802 12.0802 12.1627 12.1627 12.4089 12.4089 12.7514 12.7514 12.8789 12.8789 12.8907 12.8907 13.2181 13.2181 13.4633 13.4633 15.8945 15.8945 16.7032 16.7032 23.4560 23.4560 k = 0.4630-0.2673 0.3780 ( 1764 PWs) bands (ev): 3.2620 3.2620 6.6018 6.6018 9.4439 9.4439 9.6072 9.6072 9.7327 9.7327 10.0040 10.0040 10.6422 10.6422 10.7077 10.7077 11.0589 11.0589 11.4683 11.4683 11.6589 11.6589 12.0846 12.0846 12.1687 12.1687 12.4080 12.4080 12.7481 12.7481 12.8490 12.8490 12.8644 12.8644 13.2172 13.2172 13.4598 13.4598 15.8928 15.8928 16.7007 16.7007 23.5921 23.5921 k = 0.4722-0.2726 0.3856 ( 1772 PWs) bands (ev): 3.2879 3.2879 6.5833 6.5833 9.4206 9.4206 9.6008 9.6008 9.7345 9.7345 10.0073 10.0073 10.6428 10.6428 10.7083 10.7083 11.0766 11.0766 11.4512 11.4512 11.6565 11.6565 12.0885 12.0885 12.1741 12.1741 12.4073 12.4073 12.7455 12.7455 12.8250 12.8250 12.8434 12.8434 13.2165 13.2165 13.4576 13.4576 15.8915 15.8915 16.6987 16.6987 23.7113 23.7113 k = 0.4815-0.2780 0.3931 ( 1772 PWs) bands (ev): 3.3067 3.3067 6.5699 6.5699 9.4038 9.4038 9.5963 9.5963 9.7359 9.7359 10.0096 10.0096 10.6434 10.6434 10.7089 10.7089 11.0904 11.0904 11.4378 11.4378 11.6549 11.6549 12.0916 12.0916 12.1784 12.1784 12.4067 12.4067 12.7437 12.7437 12.8075 12.8075 12.8281 12.8281 13.2160 13.2160 13.4561 13.4561 15.8906 15.8906 16.6973 16.6973 23.8063 23.8063 k = 0.4907-0.2833 0.4007 ( 1772 PWs) bands (ev): 3.3181 3.3181 6.5618 6.5618 9.3936 9.3936 9.5936 9.5936 9.7367 9.7367 10.0111 10.0111 10.6437 10.6437 10.7092 10.7092 11.0993 11.0993 11.4292 11.4292 11.6539 11.6539 12.0935 12.0935 12.1811 12.1811 12.4064 12.4064 12.7426 12.7426 12.7968 12.7968 12.8187 12.8187 13.2158 13.2158 13.4552 13.4552 15.8900 15.8900 16.6964 16.6964 23.8684 23.8684 k = 0.5000-0.2887 0.4082 ( 1772 PWs) bands (ev): 3.3219 3.3219 6.5590 6.5590 9.3902 9.3902 9.5927 9.5927 9.7370 9.7370 10.0115 10.0115 10.6439 10.6439 10.7093 10.7093 11.1023 11.1023 11.4262 11.4262 11.6536 11.6536 12.0942 12.0942 12.1821 12.1821 12.4063 12.4063 12.7423 12.7423 12.7932 12.7932 12.8156 12.8156 13.2157 13.2157 13.4549 13.4549 15.8898 15.8898 16.6961 16.6961 23.8902 23.8902 k = 0.5000-0.2887 0.4082 ( 1772 PWs) bands (ev): 3.3219 3.3219 6.5590 6.5590 9.3902 9.3902 9.5927 9.5927 9.7370 9.7370 10.0115 10.0115 10.6439 10.6439 10.7093 10.7093 11.1023 11.1023 11.4262 11.4262 11.6536 11.6536 12.0942 12.0942 12.1821 12.1821 12.4063 12.4063 12.7423 12.7423 12.7932 12.7932 12.8156 12.8156 13.2157 13.2157 13.4549 13.4549 15.8898 15.8898 16.6961 16.6961 23.8902 23.8902 k = 0.5000-0.2780 0.4158 ( 1772 PWs) bands (ev): 3.3222 3.3222 6.5604 6.5604 9.3815 9.3815 9.5692 9.5692 9.7567 9.7567 10.0192 10.0192 10.6439 10.6439 10.7094 10.7094 11.1045 11.1045 11.4270 11.4270 11.6541 11.6541 12.0928 12.0928 12.1805 12.1805 12.4078 12.4078 12.7386 12.7386 12.7947 12.7947 12.8171 12.8171 13.2166 13.2166 13.4549 13.4549 15.8936 15.8936 16.7008 16.7008 23.8761 23.8761 k = 0.5000-0.2673 0.4234 ( 1772 PWs) bands (ev): 3.3230 3.3230 6.5647 6.5647 9.3566 9.3566 9.5180 9.5180 9.7966 9.7966 10.0411 10.0411 10.6441 10.6441 10.7098 10.7098 11.1110 11.1110 11.4294 11.4294 11.6555 11.6555 12.0887 12.0887 12.1763 12.1763 12.4122 12.4122 12.7296 12.7296 12.7964 12.7964 12.8225 12.8225 13.2193 13.2193 13.4549 13.4549 15.9047 15.9047 16.7149 16.7149 23.8310 23.8310 k = 0.5000-0.2566 0.4309 ( 1768 PWs) bands (ev): 3.3245 3.3245 6.5717 6.5717 9.3184 9.3184 9.4565 9.4565 9.8398 9.8398 10.0741 10.0741 10.6445 10.6445 10.7104 10.7104 11.1216 11.1216 11.4334 11.4334 11.6579 11.6579 12.0814 12.0814 12.1705 12.1705 12.4186 12.4186 12.7178 12.7178 12.7955 12.7955 12.8318 12.8318 13.2238 13.2238 13.4550 13.4550 15.9234 15.9234 16.7384 16.7384 23.7484 23.7484 k = 0.5000-0.2459 0.4385 ( 1768 PWs) bands (ev): 3.3264 3.3264 6.5815 6.5815 9.2698 9.2698 9.3904 9.3904 9.8812 9.8812 10.1147 10.1147 10.6449 10.6449 10.7111 10.7111 11.1359 11.1359 11.4389 11.4389 11.6613 11.6613 12.0706 12.0706 12.1647 12.1647 12.4261 12.4261 12.7047 12.7047 12.7923 12.7923 12.8434 12.8434 13.2298 13.2298 13.4551 13.4551 15.9496 15.9496 16.7713 16.7713 23.6248 23.6248 k = 0.5000-0.2352 0.4460 ( 1766 PWs) bands (ev): 3.3289 3.3289 6.5941 6.5941 9.2135 9.2135 9.3221 9.3221 9.9194 9.9194 10.1600 10.1600 10.6456 10.6456 10.7120 10.7120 11.1535 11.1535 11.4457 11.4457 11.6659 11.6659 12.0566 12.0566 12.1597 12.1597 12.4340 12.4340 12.6911 12.6911 12.7874 12.7874 12.8560 12.8560 13.2373 13.2373 13.4551 13.4551 15.9833 15.9833 16.8133 16.8133 23.4649 23.4649 k = 0.5000-0.2245 0.4536 ( 1766 PWs) bands (ev): 3.3319 3.3319 6.6095 6.6095 9.1513 9.1513 9.2526 9.2526 9.9541 9.9541 10.2076 10.2076 10.6462 10.6462 10.7130 10.7130 11.1738 11.1738 11.4541 11.4541 11.6718 11.6718 12.0399 12.0399 12.1559 12.1559 12.4413 12.4413 12.6773 12.6773 12.7811 12.7811 12.8688 12.8688 13.2461 13.2461 13.4552 13.4552 16.0246 16.0246 16.8646 16.8646 23.2777 23.2777 k = 0.5000-0.2138 0.4612 ( 1766 PWs) bands (ev): 3.3353 3.3353 6.6277 6.6277 9.0844 9.0844 9.1832 9.1832 9.9852 9.9852 10.2558 10.2558 10.6470 10.6470 10.7142 10.7142 11.1961 11.1961 11.4638 11.4638 11.6790 11.6790 12.0213 12.0213 12.1531 12.1531 12.4479 12.4479 12.6635 12.6635 12.7734 12.7734 12.8816 12.8816 13.2559 13.2559 13.4553 13.4553 16.0734 16.0734 16.9248 16.9248 23.0719 23.0719 k = 0.5000-0.2031 0.4687 ( 1774 PWs) bands (ev): 3.3391 3.3391 6.6487 6.6487 9.0138 9.0138 9.1145 9.1145 10.0129 10.0129 10.3035 10.3035 10.6478 10.6478 10.7154 10.7154 11.2196 11.2196 11.4746 11.4746 11.6876 11.6876 12.0018 12.0018 12.1511 12.1511 12.4533 12.4533 12.6499 12.6499 12.7645 12.7645 12.8942 12.8942 13.2664 13.2664 13.4554 13.4554 16.1299 16.1299 16.9940 16.9940 22.8538 22.8538 k = 0.5000-0.1925 0.4763 ( 1774 PWs) bands (ev): 3.3433 3.3433 6.6723 6.6723 8.9401 8.9401 9.0474 9.0474 10.0375 10.0375 10.3497 10.3497 10.6488 10.6488 10.7169 10.7169 11.2437 11.2437 11.4865 11.4865 11.6979 11.6979 11.9822 11.9822 12.1498 12.1498 12.4575 12.4575 12.6365 12.6365 12.7546 12.7546 12.9065 12.9065 13.2778 13.2778 13.4555 13.4555 16.1942 16.1942 17.0720 17.0720 22.6276 22.6276 k = 0.5000-0.1818 0.4838 ( 1786 PWs) bands (ev): 3.3479 3.3479 6.6987 6.6987 8.8639 8.8639 8.9821 8.9821 10.0591 10.0591 10.3938 10.3938 10.6497 10.6497 10.7183 10.7183 11.2674 11.2674 11.4993 11.4993 11.7097 11.7097 11.9629 11.9629 12.1489 12.1489 12.4603 12.4603 12.6233 12.6233 12.7436 12.7436 12.9181 12.9181 13.2895 13.2895 13.4555 13.4555 16.2661 16.2661 17.1585 17.1585 22.3964 22.3964 k = 0.5000-0.1711 0.4914 ( 1786 PWs) bands (ev): 3.3526 3.3526 6.7278 6.7278 8.7858 8.7858 8.9191 8.9191 10.0781 10.0781 10.4354 10.4354 10.6510 10.6510 10.7202 10.7202 11.2904 11.2904 11.5130 11.5130 11.7232 11.7232 11.9446 11.9446 12.1483 12.1483 12.4620 12.4620 12.6107 12.6107 12.7316 12.7316 12.9296 12.9296 13.3014 13.3014 13.4555 13.4555 16.3458 16.3458 17.2533 17.2533 22.1621 22.1621 k = 0.5000-0.1604 0.4990 ( 1782 PWs) bands (ev): 3.3576 3.3576 6.7595 6.7595 8.7063 8.7063 8.8585 8.8585 10.0947 10.0947 10.4741 10.4741 10.6524 10.6524 10.7223 10.7223 11.3119 11.3119 11.5274 11.5274 11.7383 11.7383 11.9277 11.9277 12.1480 12.1480 12.4627 12.4627 12.5986 12.5986 12.7188 12.7188 12.9405 12.9405 13.3136 13.3136 13.4555 13.4555 16.4332 16.4332 17.3563 17.3563 21.9263 21.9263 k = 0.5000-0.1497 0.5065 ( 1778 PWs) bands (ev): 3.3627 3.3627 6.7939 6.7939 8.6259 8.6259 8.8006 8.8006 10.1092 10.1092 10.5095 10.5095 10.6539 10.6539 10.7247 10.7247 11.3316 11.3316 11.5424 11.5424 11.7546 11.7546 11.9127 11.9127 12.1480 12.1480 12.4624 12.4624 12.5871 12.5871 12.7051 12.7051 12.9508 12.9508 13.3254 13.3254 13.4557 13.4557 16.5283 16.5283 17.4672 17.4672 21.6901 21.6901 k = 0.5000-0.1390 0.5141 ( 1782 PWs) bands (ev): 3.3679 3.3679 6.8308 6.8308 8.5450 8.5450 8.7456 8.7456 10.1219 10.1219 10.5414 10.5414 10.6556 10.6556 10.7273 10.7273 11.3492 11.3492 11.5575 11.5575 11.7715 11.7715 11.8996 11.8996 12.1479 12.1479 12.4614 12.4614 12.5760 12.5760 12.6907 12.6907 12.9606 12.9606 13.3369 13.3369 13.4554 13.4554 16.6311 16.6311 17.5858 17.5858 21.4542 21.4542 k = 0.5000-0.1283 0.5217 ( 1782 PWs) bands (ev): 3.3730 3.3730 6.8703 6.8703 8.4640 8.4640 8.6937 8.6937 10.1329 10.1329 10.5696 10.5696 10.6574 10.6574 10.7304 10.7304 11.3647 11.3647 11.5731 11.5731 11.7885 11.7885 11.8890 11.8890 12.1480 12.1480 12.4600 12.4600 12.5656 12.5656 12.6757 12.6757 12.9697 12.9697 13.3480 13.3480 13.4552 13.4552 16.7414 16.7414 17.7117 17.7117 21.2195 21.2195 k = 0.5000-0.1176 0.5292 ( 1778 PWs) bands (ev): 3.3781 3.3781 6.9123 6.9123 8.3830 8.3830 8.6451 8.6451 10.1425 10.1425 10.5942 10.5942 10.6594 10.6594 10.7340 10.7340 11.3781 11.3781 11.5888 11.5888 11.8045 11.8045 11.8817 11.8817 12.1481 12.1481 12.4583 12.4583 12.5559 12.5559 12.6602 12.6602 12.9782 12.9782 13.3585 13.3585 13.4549 13.4549 16.8591 16.8591 17.8447 17.8447 20.9864 20.9864 k = 0.5000-0.1069 0.5368 ( 1780 PWs) bands (ev): 3.3830 3.3830 6.9567 6.9567 8.3024 8.3024 8.5999 8.5999 10.1508 10.1508 10.6149 10.6149 10.6615 10.6615 10.7379 10.7379 11.3895 11.3895 11.6043 11.6043 11.8175 11.8175 11.8788 11.8788 12.1481 12.1481 12.4567 12.4567 12.5467 12.5467 12.6442 12.6442 12.9860 12.9860 13.3685 13.3685 13.4544 13.4544 16.9842 16.9842 17.9846 17.9846 20.7554 20.7554 k = 0.5000-0.0962 0.5443 ( 1786 PWs) bands (ev): 3.3878 3.3878 7.0034 7.0034 8.2225 8.2225 8.5585 8.5585 10.1578 10.1578 10.6319 10.6319 10.6637 10.6637 10.7422 10.7422 11.3991 11.3991 11.6196 11.6196 11.8257 11.8257 11.8819 11.8819 12.1482 12.1482 12.4553 12.4553 12.5382 12.5382 12.6281 12.6281 12.9931 12.9931 13.3777 13.3777 13.4537 13.4537 17.1163 17.1163 18.1309 18.1309 20.5270 20.5270 k = 0.5000-0.0855 0.5519 ( 1782 PWs) bands (ev): 3.3922 3.3922 7.0525 7.0525 8.1434 8.1434 8.5209 8.5209 10.1640 10.1640 10.6457 10.6457 10.6661 10.6661 10.7470 10.7470 11.4072 11.4072 11.6344 11.6344 11.8287 11.8287 11.8906 11.8906 12.1483 12.1483 12.4545 12.4545 12.5305 12.5305 12.6118 12.6118 12.9995 12.9995 13.3863 13.3863 13.4529 13.4529 17.2554 17.2554 18.2835 18.2835 20.3017 20.3017 k = 0.5000-0.0748 0.5595 ( 1778 PWs) bands (ev): 3.3963 3.3963 7.1037 7.1037 8.0655 8.0655 8.4874 8.4874 10.1692 10.1692 10.6564 10.6564 10.6684 10.6684 10.7516 10.7516 11.4138 11.4138 11.6485 11.6485 11.8288 11.8288 11.9022 11.9022 12.1484 12.1484 12.4545 12.4545 12.5237 12.5237 12.5957 12.5957 13.0053 13.0053 13.3943 13.3943 13.4520 13.4520 17.4012 17.4012 18.4420 18.4420 20.0798 20.0798 k = 0.5000-0.0642 0.5670 ( 1778 PWs) bands (ev): 3.4000 3.4000 7.1569 7.1569 7.9888 7.9888 8.4580 8.4580 10.1736 10.1736 10.6646 10.6646 10.6707 10.6707 10.7561 10.7561 11.4191 11.4191 11.6617 11.6617 11.8276 11.8276 11.9143 11.9143 12.1484 12.1484 12.4555 12.4555 12.5174 12.5174 12.5798 12.5798 13.0102 13.0102 13.4016 13.4016 13.4507 13.4507 17.5533 17.5533 18.6060 18.6060 19.8619 19.8619 k = 0.5000-0.0535 0.5746 ( 1782 PWs) bands (ev): 3.4032 3.4032 7.2119 7.2119 7.9139 7.9139 8.4329 8.4329 10.1771 10.1771 10.6703 10.6703 10.6729 10.6729 10.7600 10.7600 11.4234 11.4234 11.6737 11.6737 11.8261 11.8261 11.9258 11.9258 12.1483 12.1483 12.4577 12.4577 12.5119 12.5119 12.5645 12.5645 13.0144 13.0144 13.4082 13.4082 13.4493 13.4493 17.7114 17.7114 18.7747 18.7747 19.6489 19.6489 k = 0.5000-0.0428 0.5821 ( 1782 PWs) bands (ev): 3.4059 3.4059 7.2682 7.2682 7.8412 7.8412 8.4122 8.4122 10.1799 10.1799 10.6740 10.6740 10.6756 10.6756 10.7634 10.7634 11.4267 11.4267 11.6842 11.6842 11.8246 11.8246 11.9357 11.9357 12.1483 12.1483 12.4611 12.4611 12.5071 12.5071 12.5501 12.5501 13.0178 13.0178 13.4140 13.4140 13.4477 13.4477 17.8748 17.8748 18.9463 18.9463 19.4430 19.4430 k = 0.5000-0.0321 0.5897 ( 1780 PWs) bands (ev): 3.4080 3.4080 7.3250 7.3250 7.7716 7.7716 8.3960 8.3960 10.1821 10.1821 10.6760 10.6760 10.6783 10.6783 10.7661 10.7661 11.4292 11.4292 11.6929 11.6929 11.8233 11.8233 11.9437 11.9437 12.1482 12.1482 12.4659 12.4659 12.5028 12.5028 12.5370 12.5370 13.0206 13.0206 13.4191 13.4191 13.4461 13.4461 18.0425 18.0425 19.1020 19.1020 19.2640 19.2640 k = 0.5000-0.0214 0.5973 ( 1780 PWs) bands (ev): 3.4096 3.4096 7.3801 7.3801 7.7073 7.7073 8.3844 8.3844 10.1836 10.1836 10.6774 10.6774 10.6801 10.6801 10.7681 10.7681 11.4309 11.4309 11.6994 11.6994 11.8222 11.8222 11.9495 11.9495 12.1482 12.1482 12.4719 12.4719 12.4985 12.4985 12.5260 12.5260 13.0225 13.0225 13.4233 13.4233 13.4443 13.4443 18.2116 18.2116 19.0208 19.0208 19.3348 19.3348 k = 0.5000-0.0107 0.6048 ( 1768 PWs) bands (ev): 3.4105 3.4105 7.4277 7.4277 7.6542 7.6542 8.3774 8.3774 10.1847 10.1847 10.6784 10.6784 10.6813 10.6813 10.7694 10.7694 11.4320 11.4320 11.7036 11.7036 11.8216 11.8216 11.9531 11.9531 12.1483 12.1483 12.4789 12.4789 12.4934 12.4934 12.5187 12.5187 13.0238 13.0238 13.4262 13.4262 13.4428 13.4428 18.3724 18.3724 18.8521 18.8521 19.5150 19.5150 k = 0.5000 0.0000 0.6124 ( 1768 PWs) bands (ev): 3.4108 3.4108 7.4496 7.4496 7.6305 7.6305 8.3751 8.3751 10.1850 10.1850 10.6787 10.6787 10.6816 10.6816 10.7698 10.7698 11.4324 11.4324 11.7050 11.7050 11.8213 11.8213 11.9543 11.9543 12.1483 12.1483 12.4849 12.4849 12.4881 12.4881 12.5161 12.5161 13.0242 13.0242 13.4273 13.4273 13.4422 13.4422 18.4639 18.4639 18.7566 18.7566 19.6714 19.6714 k = 0.5000 0.0000 0.6124 ( 1768 PWs) bands (ev): 3.4108 3.4108 7.4496 7.4496 7.6305 7.6305 8.3751 8.3751 10.1850 10.1850 10.6787 10.6787 10.6816 10.6816 10.7698 10.7698 11.4324 11.4324 11.7050 11.7050 11.8213 11.8213 11.9543 11.9543 12.1483 12.1483 12.4849 12.4849 12.4881 12.4881 12.5161 12.5161 13.0242 13.0242 13.4273 13.4273 13.4422 13.4422 18.4639 18.4639 18.7566 18.7566 19.6714 19.6714 k = 0.4934 0.0114 0.6124 ( 1772 PWs) bands (ev): 3.4100 3.4100 7.4374 7.4374 7.6401 7.6401 8.3812 8.3812 10.1842 10.1842 10.6765 10.6765 10.6833 10.6833 10.7704 10.7704 11.4323 11.4323 11.7046 11.7046 11.8217 11.8217 11.9537 11.9537 12.1471 12.1471 12.4783 12.4783 12.4913 12.4913 12.5220 12.5220 13.0237 13.0237 13.4273 13.4273 13.4429 13.4429 18.4039 18.4039 18.8099 18.8099 19.5787 19.5787 k = 0.4868 0.0228 0.6124 ( 1776 PWs) bands (ev): 3.4077 3.4077 7.4094 7.4094 7.6591 7.6591 8.4006 8.4006 10.1817 10.1817 10.6723 10.6723 10.6859 10.6859 10.7724 10.7724 11.4325 11.4325 11.7033 11.7033 11.8227 11.8227 11.9519 11.9519 12.1435 12.1435 12.4713 12.4713 12.4914 12.4914 12.5366 12.5366 13.0226 13.0226 13.4277 13.4277 13.4448 13.4448 18.2728 18.2728 18.9223 18.9223 19.4778 19.4778 k = 0.4803 0.0342 0.6124 ( 1778 PWs) bands (ev): 3.4043 3.4043 7.3754 7.3754 7.6764 7.6764 8.4338 8.4338 10.1771 10.1771 10.6671 10.6671 10.6889 10.6889 10.7758 10.7758 11.4331 11.4331 11.7015 11.7015 11.8243 11.8243 11.9489 11.9489 12.1377 12.1377 12.4642 12.4642 12.4925 12.4925 12.5546 12.5546 13.0208 13.0208 13.4290 13.4290 13.4472 13.4472 18.1150 18.1150 19.0517 19.0517 19.3964 19.3964 k = 0.4737 0.0456 0.6124 ( 1777 PWs) bands (ev): 3.3999 3.3999 7.3401 7.3401 7.6878 7.6878 8.4804 8.4804 10.1701 10.1701 10.6610 10.6610 10.6924 10.6924 10.7803 10.7803 11.4344 11.4344 11.6991 11.6991 11.8264 11.8264 11.9448 11.9448 12.1301 12.1301 12.4568 12.4568 12.4961 12.4961 12.5741 12.5741 13.0183 13.0183 13.4317 13.4317 13.4502 13.4502 17.9452 17.9452 19.1775 19.1775 19.3422 19.3422 k = 0.4671 0.0570 0.6124 ( 1775 PWs) bands (ev): 3.3947 3.3947 7.3053 7.3053 7.6926 7.6926 8.5386 8.5386 10.1605 10.1605 10.6543 10.6543 10.6967 10.6967 10.7859 10.7859 11.4366 11.4366 11.6964 11.6964 11.8288 11.8288 11.9396 11.9396 12.1208 12.1208 12.4494 12.4494 12.5018 12.5018 12.5946 12.5946 13.0150 13.0150 13.4356 13.4356 13.4535 13.4535 17.7703 17.7703 19.2241 19.2241 19.3847 19.3847 k = 0.4605 0.0684 0.6124 ( 1779 PWs) bands (ev): 3.3890 3.3890 7.2719 7.2719 7.6916 7.6916 8.6061 8.6061 10.1481 10.1481 10.6471 10.6471 10.7013 10.7013 10.7920 10.7920 11.4400 11.4400 11.6933 11.6933 11.8314 11.8314 11.9332 11.9332 12.1102 12.1102 12.4420 12.4420 12.5092 12.5092 12.6156 12.6156 13.0109 13.0109 13.4408 13.4408 13.4572 13.4572 17.5947 17.5947 19.1915 19.1915 19.5202 19.5202 k = 0.4539 0.0798 0.6124 ( 1781 PWs) bands (ev): 3.3831 3.3831 7.2403 7.2403 7.6863 7.6863 8.6806 8.6806 10.1326 10.1326 10.6397 10.6397 10.7066 10.7066 10.7988 10.7988 11.4448 11.4448 11.6901 11.6901 11.8340 11.8340 11.9258 11.9258 12.0986 12.0986 12.4349 12.4349 12.5176 12.5176 12.6368 12.6368 13.0062 13.0062 13.4470 13.4470 13.4614 13.4614 17.4215 17.4215 19.1535 19.1535 19.6723 19.6723 k = 0.4474 0.0912 0.6124 ( 1785 PWs) bands (ev): 3.3769 3.3769 7.2108 7.2108 7.6781 7.6781 8.7599 8.7599 10.1139 10.1139 10.6322 10.6322 10.7123 10.7123 10.8060 10.8060 11.4513 11.4513 11.6868 11.6868 11.8366 11.8366 11.9175 11.9175 12.0863 12.0863 12.4281 12.4281 12.5267 12.5267 12.6582 12.6582 13.0007 13.0007 13.4534 13.4534 13.4668 13.4668 17.2533 17.2533 19.1189 19.1189 19.8306 19.8306 k = 0.4408 0.1026 0.6124 ( 1779 PWs) bands (ev): 3.3708 3.3708 7.1836 7.1836 7.6682 7.6682 8.8422 8.8422 10.0921 10.0921 10.6250 10.6250 10.7181 10.7181 10.8133 10.8133 11.4598 11.4598 11.6836 11.6836 11.8387 11.8387 11.9085 11.9085 12.0738 12.0738 12.4218 12.4218 12.5361 12.5361 12.6795 12.6795 12.9946 12.9946 13.4588 13.4588 13.4747 13.4747 17.0919 17.0919 19.0885 19.0885 19.9930 19.9930 k = 0.4342 0.1140 0.6124 ( 1779 PWs) bands (ev): 3.3649 3.3649 7.1588 7.1588 7.6574 7.6574 8.9260 8.9260 10.0669 10.0669 10.6182 10.6182 10.7238 10.7238 10.8206 10.8206 11.4702 11.4702 11.6805 11.6805 11.8399 11.8399 11.8992 11.8992 12.0610 12.0610 12.4159 12.4159 12.5454 12.5454 12.7005 12.7005 12.9878 12.9878 13.4629 13.4629 13.4850 13.4850 16.9391 16.9391 19.0619 19.0619 20.1589 20.1589 k = 0.4276 0.1253 0.6124 ( 1787 PWs) bands (ev): 3.3592 3.3592 7.1364 7.1364 7.6465 7.6465 9.0098 9.0098 10.0383 10.0383 10.6117 10.6117 10.7293 10.7293 10.8277 10.8277 11.4827 11.4827 11.6776 11.6776 11.8388 11.8388 11.8904 11.8904 12.0483 12.0483 12.4104 12.4104 12.5542 12.5542 12.7210 12.7210 12.9802 12.9802 13.4659 13.4659 13.4970 13.4970 16.7966 16.7966 19.0389 19.0389 20.3278 20.3278 k = 0.4211 0.1367 0.6124 ( 1787 PWs) bands (ev): 3.3540 3.3540 7.1165 7.1165 7.6361 7.6361 9.0926 9.0926 10.0066 10.0066 10.6057 10.6057 10.7343 10.7343 10.8345 10.8345 11.4973 11.4973 11.6750 11.6750 11.8341 11.8341 11.8839 11.8839 12.0362 12.0362 12.4056 12.4056 12.5626 12.5626 12.7410 12.7410 12.9721 12.9721 13.4685 13.4685 13.5100 13.5100 16.6658 16.6658 19.0192 19.0192 20.4993 20.4993 k = 0.4145 0.1481 0.6124 ( 1787 PWs) bands (ev): 3.3493 3.3493 7.0992 7.0992 7.6264 7.6264 9.1734 9.1734 9.9718 9.9718 10.6005 10.6005 10.7389 10.7389 10.8406 10.8406 11.5138 11.5138 11.6728 11.6728 11.8246 11.8246 11.8807 11.8807 12.0249 12.0249 12.4013 12.4013 12.5701 12.5701 12.7602 12.7602 12.9634 12.9634 13.4707 13.4707 13.5234 13.5234 16.5484 16.5484 19.0026 19.0026 20.6732 20.6732 k = 0.4079 0.1595 0.6124 ( 1785 PWs) bands (ev): 3.3451 3.3451 7.0846 7.0846 7.6178 7.6178 9.2510 9.2510 9.9342 9.9342 10.5960 10.5960 10.7428 10.7428 10.8461 10.8461 11.5317 11.5317 11.6711 11.6711 11.8109 11.8109 11.8803 11.8803 12.0148 12.0148 12.3976 12.3976 12.5768 12.5768 12.7784 12.7784 12.9543 12.9543 13.4725 13.4725 13.5365 13.5365 16.4457 16.4457 18.9887 18.9887 20.8488 20.8488 k = 0.4013 0.1709 0.6124 ( 1785 PWs) bands (ev): 3.3417 3.3417 7.0725 7.0725 7.6105 7.6105 9.3243 9.3243 9.8945 9.8945 10.5923 10.5923 10.7460 10.7460 10.8507 10.8507 11.5503 11.5503 11.6701 11.6701 11.7944 11.7944 11.8814 11.8814 12.0060 12.0060 12.3946 12.3946 12.5824 12.5824 12.7954 12.7954 12.9450 12.9450 13.4738 13.4738 13.5486 13.5486 16.3593 16.3593 18.9775 18.9775 21.0255 21.0255 k = 0.3947 0.1823 0.6124 ( 1779 PWs) bands (ev): 3.3389 3.3389 7.0631 7.0631 7.6047 7.6047 9.3915 9.3915 9.8540 9.8540 10.5894 10.5894 10.7486 10.7486 10.8545 10.8545 11.5687 11.5687 11.6700 11.6700 11.7768 11.7768 11.8830 11.8830 11.9989 11.9989 12.3922 12.3922 12.5868 12.5868 12.8105 12.8105 12.9358 12.9358 13.4750 13.4750 13.5590 13.5590 16.2904 16.2904 18.9690 18.9690 21.2016 21.2016 k = 0.3882 0.1937 0.6124 ( 1785 PWs) bands (ev): 3.3369 3.3369 7.0564 7.0564 7.6005 7.6005 9.4494 9.4494 9.8153 9.8153 10.5872 10.5872 10.7504 10.7504 10.8571 10.8571 11.5848 11.5848 11.6707 11.6707 11.7600 11.7600 11.8846 11.8846 11.9935 11.9935 12.3905 12.3905 12.5900 12.5900 12.8229 12.8229 12.9275 12.9275 13.4757 13.4757 13.5668 13.5668 16.2402 16.2402 18.9629 18.9629 21.3735 21.3735 k = 0.3816 0.2051 0.6124 ( 1785 PWs) bands (ev): 3.3357 3.3357 7.0524 7.0524 7.5980 7.5980 9.4918 9.4918 9.7845 9.7845 10.5859 10.5859 10.7515 10.7515 10.8587 10.8587 11.5964 11.5964 11.6723 11.6723 11.7468 11.7468 11.8857 11.8857 11.9902 11.9902 12.3895 12.3895 12.5920 12.5920 12.8316 12.8316 12.9214 12.9214 13.4762 13.4762 13.5719 13.5719 16.2097 16.2097 18.9593 18.9593 21.5279 21.5279 k = 0.3750 0.2165 0.6124 ( 1780 PWs) bands (ev): 3.3353 3.3353 7.0510 7.0510 7.5971 7.5971 9.5082 9.5082 9.7720 9.7720 10.5856 10.5856 10.7519 10.7519 10.8593 10.8593 11.6008 11.6008 11.6733 11.6733 11.7417 11.7417 11.8861 11.8861 11.9891 11.9891 12.3892 12.3892 12.5927 12.5927 12.8349 12.8349 12.9191 12.9191 13.4764 13.4764 13.5737 13.5737 16.1995 16.1995 18.9581 18.9581 21.6071 21.6071 k = 0.3750 0.2165 0.6124 ( 1780 PWs) bands (ev): 3.3353 3.3353 7.0510 7.0510 7.5971 7.5971 9.5082 9.5082 9.7720 9.7720 10.5856 10.5856 10.7519 10.7519 10.8593 10.8593 11.6008 11.6008 11.6733 11.6733 11.7417 11.7417 11.8861 11.8861 11.9891 11.9891 12.3892 12.3892 12.5927 12.5927 12.8349 12.8349 12.9191 12.9191 13.4764 13.4764 13.5737 13.5737 16.1995 16.1995 18.9581 18.9581 21.6071 21.6071 k = 0.3684 0.2127 0.6016 ( 1780 PWs) bands (ev): 3.3254 3.3254 7.0993 7.0993 7.5133 7.5133 9.4847 9.4847 9.8003 9.8003 10.5799 10.5799 10.7649 10.7649 10.8766 10.8766 11.6284 11.6284 11.6971 11.6971 11.7444 11.7444 11.8780 11.8780 11.9801 11.9801 12.3699 12.3699 12.6115 12.6115 12.8381 12.8381 12.9199 12.9199 13.4811 13.4811 13.6156 13.6156 16.2066 16.2066 19.1861 19.1861 21.4700 21.4700 k = 0.3618 0.2089 0.5909 ( 1778 PWs) bands (ev): 3.3127 3.3127 7.1463 7.1463 7.4389 7.4389 9.4618 9.4618 9.8292 9.8292 10.5743 10.5743 10.7761 10.7761 10.8931 10.8931 11.6525 11.6525 11.7202 11.7202 11.7480 11.7480 11.8703 11.8703 11.9732 11.9732 12.3516 12.3516 12.6328 12.6328 12.8414 12.8414 12.9203 12.9203 13.4864 13.4864 13.6604 13.6604 16.2133 16.2133 19.4188 19.4188 21.3362 21.3362 k = 0.3553 0.2051 0.5801 ( 1782 PWs) bands (ev): 3.2969 3.2969 7.1854 7.1854 7.3807 7.3807 9.4394 9.4394 9.8585 9.8585 10.5688 10.5688 10.7855 10.7855 10.9082 10.9082 11.6723 11.6723 11.7373 11.7373 11.7566 11.7566 11.8642 11.8642 11.9687 11.9687 12.3345 12.3345 12.6565 12.6565 12.8450 12.8450 12.9203 12.9203 13.4924 13.4924 13.7080 13.7080 16.2200 16.2200 19.6542 19.6542 21.2069 21.2069 k = 0.3487 0.2013 0.5694 ( 1782 PWs) bands (ev): 3.2777 3.2777 7.1978 7.1978 7.3581 7.3581 9.4178 9.4178 9.8882 9.8882 10.5636 10.5636 10.7933 10.7933 10.9219 10.9219 11.6868 11.6868 11.7441 11.7441 11.7733 11.7733 11.8620 11.8620 11.9670 11.9670 12.3188 12.3188 12.6826 12.6826 12.8487 12.8487 12.9201 12.9201 13.4992 13.4992 13.7584 13.7584 16.2266 16.2266 19.8883 19.8883 21.0846 21.0846 k = 0.3421 0.1975 0.5587 ( 1788 PWs) bands (ev): 3.2549 3.2549 7.1717 7.1717 7.3830 7.3830 9.3969 9.3969 9.9179 9.9179 10.5584 10.5584 10.7996 10.7996 10.9340 10.9340 11.6945 11.6945 11.7471 11.7471 11.7891 11.7891 11.8668 11.8668 11.9679 11.9679 12.3049 12.3049 12.7107 12.7107 12.8528 12.8528 12.9201 12.9201 13.5068 13.5068 13.8119 13.8119 16.2334 16.2334 20.1120 20.1120 20.9754 20.9754 k = 0.3355 0.1937 0.5479 ( 1790 PWs) bands (ev): 3.2283 3.2283 7.1305 7.1305 7.4324 7.4324 9.3769 9.3769 9.9476 9.9476 10.5536 10.5536 10.8043 10.8043 10.9444 10.9444 11.6949 11.6949 11.7481 11.7481 11.8022 11.8022 11.8799 11.8799 11.9719 11.9719 12.2926 12.2926 12.7405 12.7405 12.8573 12.8573 12.9205 12.9205 13.5155 13.5155 13.8680 13.8680 16.2402 16.2402 20.3001 20.3001 20.8941 20.8941 k = 0.3289 0.1899 0.5372 ( 1790 PWs) bands (ev): 3.1978 3.1978 7.0896 7.0896 7.4910 7.4910 9.3577 9.3577 9.9771 9.9771 10.5491 10.5491 10.8075 10.8075 10.9532 10.9532 11.6881 11.6881 11.7476 11.7476 11.8144 11.8144 11.8987 11.8987 11.9789 11.9789 12.2823 12.2823 12.7707 12.7707 12.8629 12.8629 12.9223 12.9223 13.5252 13.5252 13.9269 13.9269 16.2473 16.2473 20.3936 20.3936 20.8458 20.8458 k = 0.3224 0.1861 0.5264 ( 1790 PWs) bands (ev): 3.1633 3.1633 7.0536 7.0536 7.5542 7.5542 9.3394 9.3394 10.0062 10.0062 10.5448 10.5448 10.8091 10.8091 10.9601 10.9601 11.6751 11.6751 11.7464 11.7464 11.8270 11.8270 11.9203 11.9203 11.9887 11.9887 12.2741 12.2741 12.7988 12.7988 12.8701 12.8701 12.9270 12.9270 13.5360 13.5360 13.9887 13.9887 16.2547 16.2547 20.3676 20.3676 20.7622 20.7622 k = 0.3158 0.1823 0.5157 ( 1790 PWs) bands (ev): 3.1248 3.1248 7.0243 7.0243 7.6203 7.6203 9.3221 9.3221 10.0347 10.0347 10.5409 10.5409 10.8088 10.8088 10.9653 10.9653 11.6574 11.6574 11.7455 11.7455 11.8397 11.8397 11.9431 11.9431 12.0011 12.0011 12.2681 12.2681 12.8210 12.8210 12.8796 12.8796 12.9385 12.9385 13.5478 13.5478 14.0531 14.0531 16.2624 16.2624 20.2803 20.2803 20.6510 20.6510 k = 0.3092 0.1785 0.5049 ( 1792 PWs) bands (ev): 3.0824 3.0824 7.0021 7.0021 7.6887 7.6887 9.3056 9.3056 10.0626 10.0626 10.5372 10.5372 10.8068 10.8068 10.9687 10.9687 11.6363 11.6363 11.7453 11.7453 11.8523 11.8523 11.9664 11.9664 12.0154 12.0154 12.2642 12.2642 12.8346 12.8346 12.8887 12.8887 12.9614 12.9614 13.5609 13.5609 14.1201 14.1201 16.2706 16.2706 20.1712 20.1712 20.5358 20.5358 k = 0.3026 0.1747 0.4942 ( 1786 PWs) bands (ev): 3.0361 3.0361 6.9874 6.9874 7.7589 7.7589 9.2903 9.2903 10.0896 10.0896 10.5340 10.5340 10.8029 10.8029 10.9702 10.9702 11.6126 11.6126 11.7462 11.7462 11.8646 11.8646 11.9903 11.9903 12.0310 12.0310 12.2627 12.2627 12.8419 12.8419 12.8954 12.8954 12.9961 12.9961 13.5755 13.5755 14.1897 14.1897 16.2792 16.2792 20.0537 20.0537 20.4226 20.4226 k = 0.2961 0.1709 0.4835 ( 1786 PWs) bands (ev): 2.9861 2.9861 6.9802 6.9802 7.8307 7.8307 9.2758 9.2758 10.1156 10.1156 10.5310 10.5310 10.7971 10.7971 10.9699 10.9699 11.5869 11.5869 11.7482 11.7482 11.8766 11.8766 12.0146 12.0146 12.0473 12.0473 12.2634 12.2634 12.8456 12.8456 12.9002 12.9002 13.0389 13.0389 13.5913 13.5913 14.2617 14.2617 16.2883 16.2883 19.9329 19.9329 20.3131 20.3131 k = 0.2895 0.1671 0.4727 ( 1786 PWs) bands (ev): 2.9327 2.9327 6.9803 6.9803 7.9039 7.9039 9.2625 9.2625 10.1404 10.1404 10.5284 10.5284 10.7893 10.7893 10.9676 10.9676 11.5596 11.5596 11.7516 11.7516 11.8885 11.8885 12.0395 12.0395 12.0638 12.0638 12.2661 12.2661 12.8477 12.8477 12.9045 12.9045 13.0870 13.0870 13.6085 13.6085 14.3359 14.3359 16.2980 16.2980 19.8108 19.8108 20.2078 20.2078 k = 0.2829 0.1633 0.4620 ( 1784 PWs) bands (ev): 2.8762 2.8762 6.9876 6.9876 7.9781 7.9781 9.2502 9.2502 10.1640 10.1640 10.5261 10.5261 10.7798 10.7798 10.9636 10.9636 11.5310 11.5310 11.7568 11.7568 11.9003 11.9003 12.0648 12.0648 12.0801 12.0801 12.2709 12.2709 12.8490 12.8490 12.9087 12.9087 13.1388 13.1388 13.6273 13.6273 14.4123 14.4123 16.3084 16.3084 19.6887 19.6887 20.1072 20.1072 k = 0.2763 0.1595 0.4512 ( 1792 PWs) bands (ev): 2.8167 2.8167 7.0018 7.0018 8.0532 8.0532 9.2388 9.2388 10.1860 10.1860 10.5241 10.5241 10.7682 10.7682 10.9577 10.9577 11.5011 11.5011 11.7639 11.7639 11.9122 11.9122 12.0905 12.0905 12.0959 12.0959 12.2775 12.2775 12.8501 12.8501 12.9132 12.9132 13.1933 13.1933 13.6478 13.6478 14.4907 14.4907 16.3193 16.3193 19.5673 19.5673 20.0111 20.0111 k = 0.2697 0.1557 0.4405 ( 1792 PWs) bands (ev): 2.7547 2.7547 7.0228 7.0228 8.1291 8.1291 9.2286 9.2286 10.2067 10.2067 10.5225 10.5225 10.7551 10.7551 10.9499 10.9499 11.4703 11.4703 11.7733 11.7733 11.9242 11.9242 12.1110 12.1110 12.1168 12.1168 12.2856 12.2856 12.8516 12.8516 12.9179 12.9179 13.2505 13.2505 13.6702 13.6702 14.5708 14.5708 16.3310 16.3310 19.4474 19.4474 19.9198 19.9198 k = 0.2632 0.1519 0.4297 ( 1792 PWs) bands (ev): 2.6905 2.6905 7.0500 7.0500 8.2055 8.2055 9.2196 9.2196 10.2260 10.2260 10.5213 10.5213 10.7405 10.7405 10.9405 10.9405 11.4384 11.4384 11.7849 11.7849 11.9362 11.9362 12.1254 12.1254 12.1433 12.1433 12.2950 12.2950 12.8537 12.8537 12.9229 12.9229 13.3099 13.3099 13.6946 13.6946 14.6526 14.6526 16.3433 16.3433 19.3292 19.3292 19.8331 19.8331 k = 0.2566 0.1481 0.4190 ( 1796 PWs) bands (ev): 2.6244 2.6244 7.0833 7.0833 8.2821 8.2821 9.2117 9.2117 10.2435 10.2435 10.5204 10.5204 10.7243 10.7243 10.9294 10.9294 11.4056 11.4056 11.7989 11.7989 11.9485 11.9485 12.1390 12.1390 12.1702 12.1702 12.3052 12.3052 12.8569 12.8569 12.9282 12.9282 13.3711 13.3711 13.7212 13.7212 14.7358 14.7358 16.3564 16.3564 19.2133 19.2133 19.7511 19.7511 k = 0.2500 0.1443 0.4082 ( 1796 PWs) bands (ev): 2.5568 2.5568 7.1222 7.1222 8.3588 8.3588 9.2050 9.2050 10.2594 10.2594 10.5199 10.5199 10.7070 10.7070 10.9168 10.9168 11.3721 11.3721 11.8153 11.8153 11.9608 11.9608 12.1519 12.1519 12.1972 12.1972 12.3163 12.3163 12.8613 12.8613 12.9338 12.9338 13.4340 13.4340 13.7502 13.7502 14.8202 14.8202 16.3701 16.3701 19.0999 19.0999 19.6737 19.6737 k = 0.2434 0.1405 0.3975 ( 1796 PWs) bands (ev): 2.4880 2.4880 7.1664 7.1664 8.4352 8.4352 9.1995 9.1995 10.2736 10.2736 10.5197 10.5197 10.6886 10.6886 10.9028 10.9028 11.3377 11.3377 11.8341 11.8341 11.9733 11.9733 12.1640 12.1640 12.2243 12.2243 12.3279 12.3279 12.8673 12.8673 12.9396 12.9396 13.4982 13.4982 13.7818 13.7818 14.9056 14.9056 16.3846 16.3846 18.9895 18.9895 19.6009 19.6009 k = 0.2368 0.1367 0.3868 ( 1792 PWs) bands (ev): 2.4183 2.4183 7.2155 7.2155 8.5112 8.5112 9.1952 9.1952 10.2862 10.2862 10.5198 10.5198 10.6696 10.6696 10.8877 10.8877 11.3027 11.3027 11.8552 11.8552 11.9862 11.9862 12.1755 12.1755 12.2514 12.2514 12.3398 12.3398 12.8749 12.8749 12.9457 12.9457 13.5637 13.5637 13.8162 13.8162 14.9918 14.9918 16.3996 16.3996 18.8824 18.8824 19.5328 19.5328 k = 0.2303 0.1329 0.3760 ( 1792 PWs) bands (ev): 2.3480 2.3480 7.2692 7.2692 8.5864 8.5864 9.1921 9.1921 10.2971 10.2971 10.5201 10.5201 10.6500 10.6500 10.8716 10.8716 11.2669 11.2669 11.8784 11.8784 11.9988 11.9988 12.1861 12.1861 12.2784 12.2784 12.3514 12.3514 12.8841 12.8841 12.9520 12.9520 13.6301 13.6301 13.8537 13.8537 15.0785 15.0785 16.4152 16.4152 18.7789 18.7789 19.4692 19.4692 k = 0.2237 0.1291 0.3653 ( 1793 PWs) bands (ev): 2.2775 2.2775 7.3272 7.3272 8.6604 8.6604 9.1904 9.1904 10.3065 10.3065 10.5204 10.5204 10.6303 10.6303 10.8546 10.8546 11.2305 11.2305 11.9035 11.9035 12.0115 12.0115 12.1961 12.1961 12.3053 12.3053 12.3629 12.3629 12.8951 12.8951 12.9587 12.9587 13.6973 13.6973 13.8945 13.8945 15.1654 15.1654 16.4313 16.4313 18.6794 18.6794 19.4102 19.4102 k = 0.2171 0.1253 0.3545 ( 1789 PWs) bands (ev): 2.2070 2.2070 7.3891 7.3891 8.7329 8.7329 9.1902 9.1902 10.3143 10.3143 10.5207 10.5207 10.6109 10.6109 10.8370 10.8370 11.1935 11.1935 11.9305 11.9305 12.0243 12.0243 12.2056 12.2056 12.3317 12.3317 12.3744 12.3744 12.9078 12.9078 12.9656 12.9656 13.7652 13.7652 13.9389 13.9389 15.2522 15.2522 16.4475 16.4475 18.5844 18.5844 19.3553 19.3553 k = 0.2105 0.1215 0.3438 ( 1789 PWs) bands (ev): 2.1367 2.1367 7.4545 7.4545 8.8034 8.8034 9.1915 9.1915 10.3205 10.3205 10.5207 10.5207 10.5921 10.5921 10.8190 10.8190 11.1560 11.1560 11.9591 11.9591 12.0370 12.0370 12.2145 12.2145 12.3569 12.3569 12.3864 12.3864 12.9218 12.9218 12.9727 12.9727 13.8333 13.8333 13.9870 13.9870 15.3387 15.3387 16.4639 16.4639 18.4943 18.4943 19.3043 19.3043 k = 0.2039 0.1177 0.3330 ( 1797 PWs) bands (ev): 2.0670 2.0670 7.5232 7.5232 8.8714 8.8714 9.1946 9.1946 10.3252 10.3252 10.5199 10.5199 10.5745 10.5745 10.8007 10.8007 11.1181 11.1181 11.9889 11.9889 12.0497 12.0497 12.2229 12.2229 12.3790 12.3790 12.4008 12.4008 12.9369 12.9369 12.9801 12.9801 13.9016 13.9016 14.0389 14.0389 15.4246 15.4246 16.4800 16.4800 18.4095 18.4095 19.2560 19.2560 k = 0.1974 0.1140 0.3223 ( 1797 PWs) bands (ev): 1.9979 1.9979 7.5947 7.5947 8.9360 8.9360 9.2000 9.2000 10.3284 10.3284 10.5171 10.5171 10.5598 10.5598 10.7825 10.7825 11.0797 11.0797 12.0198 12.0198 12.0625 12.0625 12.2310 12.2310 12.3952 12.3952 12.4205 12.4205 12.9531 12.9531 12.9878 12.9878 13.9700 13.9700 14.0947 14.0947 15.5094 15.5094 16.4956 16.4956 18.3307 18.3307 19.2080 19.2080 k = 0.1908 0.1102 0.3116 ( 1789 PWs) bands (ev): 1.9298 1.9298 7.6690 7.6690 8.9963 8.9963 9.2084 9.2084 10.3302 10.3302 10.5110 10.5110 10.5499 10.5499 10.7646 10.7646 11.0410 11.0410 12.0513 12.0513 12.0753 12.0753 12.2390 12.2390 12.4072 12.4072 12.4441 12.4441 12.9699 12.9699 12.9961 12.9961 14.0386 14.0386 14.1545 14.1545 15.5929 15.5929 16.5102 16.5102 18.2585 18.2585 19.1564 19.1564 k = 0.1842 0.1064 0.3008 ( 1793 PWs) bands (ev): 1.8628 1.8628 7.7455 7.7455 9.0504 9.0504 9.2210 9.2210 10.3306 10.3306 10.5010 10.5010 10.5447 10.5447 10.7469 10.7469 11.0019 11.0019 12.0814 12.0814 12.0897 12.0897 12.2470 12.2470 12.4177 12.4177 12.4686 12.4686 12.9867 12.9867 13.0050 13.0050 14.1070 14.1070 14.2182 14.2182 15.6747 15.6747 16.5234 16.5234 18.1934 18.1934 19.0974 19.0974 k = 0.1776 0.1026 0.2901 ( 1789 PWs) bands (ev): 1.7970 1.7970 7.8240 7.8240 9.0964 9.0964 9.2398 9.2398 10.3296 10.3296 10.4893 10.4893 10.5428 10.5428 10.7298 10.7298 10.9627 10.9627 12.0988 12.0988 12.1167 12.1167 12.2554 12.2554 12.4280 12.4280 12.4931 12.4931 13.0026 13.0026 13.0153 13.0153 14.1751 14.1751 14.2859 14.2859 15.7544 15.7544 16.5347 16.5347 18.1361 18.1361 19.0320 19.0320 k = 0.1711 0.0988 0.2793 ( 1789 PWs) bands (ev): 1.7327 1.7327 7.9042 7.9042 9.1320 9.1320 9.2664 9.2664 10.3271 10.3271 10.4777 10.4777 10.5423 10.5423 10.7136 10.7136 10.9234 10.9234 12.1115 12.1115 12.1475 12.1475 12.2647 12.2647 12.4385 12.4385 12.5172 12.5172 13.0158 13.0158 13.0284 13.0284 14.2425 14.2425 14.3577 14.3577 15.8317 15.8317 16.5436 16.5436 18.0872 18.0872 18.9635 18.9635 k = 0.1645 0.0950 0.2686 ( 1795 PWs) bands (ev): 1.6699 1.6699 7.9857 7.9857 9.1580 9.1580 9.2997 9.2997 10.3230 10.3230 10.4673 10.4673 10.5423 10.5423 10.6982 10.6982 10.8840 10.8840 12.1237 12.1237 12.1766 12.1766 12.2759 12.2759 12.4496 12.4496 12.5407 12.5407 13.0264 13.0264 13.0440 13.0440 14.3088 14.3088 14.4338 14.4338 15.9062 15.9062 16.5497 16.5497 18.0472 18.0472 18.8941 18.8941 k = 0.1579 0.0912 0.2578 ( 1795 PWs) bands (ev): 1.6088 1.6088 8.0684 8.0684 9.1775 9.1775 9.3365 9.3365 10.3179 10.3179 10.4585 10.4585 10.5423 10.5423 10.6840 10.6840 10.8448 10.8448 12.1357 12.1357 12.2023 12.2023 12.2903 12.2903 12.4614 12.4614 12.5638 12.5638 13.0365 13.0365 13.0601 13.0601 14.3734 14.3734 14.5146 14.5146 15.9775 15.9775 16.5528 16.5528 18.0165 18.0165 18.8254 18.8254 k = 0.1513 0.0874 0.2471 ( 1801 PWs) bands (ev): 1.5495 1.5495 8.1517 8.1517 9.1935 9.1935 9.3733 9.3733 10.3116 10.3116 10.4515 10.4515 10.5421 10.5421 10.6710 10.6710 10.8059 10.8059 12.1474 12.1474 12.2228 12.2228 12.3095 12.3095 12.4741 12.4741 12.5861 12.5861 13.0465 13.0465 13.0760 13.0760 14.4360 14.4360 14.5999 14.5999 16.0452 16.0452 16.5527 16.5527 17.9951 17.9951 18.7578 18.7578 k = 0.1447 0.0836 0.2364 ( 1797 PWs) bands (ev): 1.4922 1.4922 8.2355 8.2355 9.2081 9.2081 9.4081 9.4081 10.3043 10.3043 10.4466 10.4466 10.5415 10.5415 10.6591 10.6591 10.7678 10.7678 12.1589 12.1589 12.2377 12.2377 12.3338 12.3338 12.4879 12.4879 12.6077 12.6077 13.0567 13.0567 13.0914 13.0914 14.4962 14.4962 14.6900 14.6900 16.1089 16.1089 16.5496 16.5496 17.9829 17.9829 18.6920 18.6920 k = 0.1382 0.0798 0.2256 ( 1799 PWs) bands (ev): 1.4368 1.4368 8.3195 8.3195 9.2222 9.2222 9.4398 9.4398 10.2960 10.2960 10.4434 10.4434 10.5401 10.5401 10.6480 10.6480 10.7310 10.7310 12.1701 12.1701 12.2483 12.2483 12.3615 12.3615 12.5027 12.5027 12.6286 12.6286 13.0671 13.0671 13.1061 13.1061 14.5539 14.5539 14.7844 14.7844 16.1683 16.1683 16.5442 16.5442 17.9793 17.9793 18.6283 18.6283 k = 0.1316 0.0760 0.2149 ( 1799 PWs) bands (ev): 1.3835 1.3835 8.4031 8.4031 9.2364 9.2364 9.4679 9.4679 10.2868 10.2868 10.4422 10.4422 10.5376 10.5376 10.6369 10.6369 10.6971 10.6971 12.1810 12.1810 12.2560 12.2560 12.3910 12.3910 12.5188 12.5188 12.6486 12.6486 13.0777 13.0777 13.1200 13.1200 14.6088 14.6088 14.8830 14.8830 16.2226 16.2226 16.5374 16.5374 17.9832 17.9832 18.5671 18.5671 k = 0.1250 0.0722 0.2041 ( 1797 PWs) bands (ev): 1.3325 1.3325 8.4862 8.4862 9.2510 9.2510 9.4920 9.4920 10.2769 10.2769 10.4426 10.4426 10.5333 10.5333 10.6231 10.6231 10.6694 10.6694 12.1916 12.1916 12.2621 12.2621 12.4212 12.4212 12.5360 12.5360 12.6679 12.6679 13.0885 13.0885 13.1331 13.1331 14.6608 14.6608 14.9853 14.9853 16.2713 16.2713 16.5307 16.5307 17.9935 17.9935 18.5087 18.5087 k = 0.1184 0.0684 0.1934 ( 1801 PWs) bands (ev): 1.2836 1.2836 8.5683 8.5683 9.2661 9.2661 9.5124 9.5124 10.2663 10.2663 10.4439 10.4439 10.5260 10.5260 10.6040 10.6040 10.6518 10.6518 12.2018 12.2018 12.2670 12.2670 12.4511 12.4511 12.5543 12.5543 12.6864 12.6864 13.0994 13.0994 13.1453 13.1453 14.7096 14.7096 15.0911 15.0911 16.3131 16.3131 16.5262 16.5262 18.0084 18.0084 18.4537 18.4537 k = 0.1118 0.0646 0.1826 ( 1805 PWs) bands (ev): 1.2371 1.2371 8.6490 8.6490 9.2819 9.2819 9.5292 9.5292 10.2552 10.2552 10.4455 10.4455 10.5138 10.5138 10.5839 10.5839 10.6429 10.6429 12.2116 12.2116 12.2711 12.2711 12.4805 12.4805 12.5736 12.5736 12.7041 12.7041 13.1104 13.1104 13.1566 13.1566 14.7551 14.7551 15.1997 15.1997 16.3464 16.3464 16.5265 16.5265 18.0258 18.0258 18.4028 18.4028 k = 0.1053 0.0608 0.1719 ( 1803 PWs) bands (ev): 1.1930 1.1930 8.7280 8.7280 9.2984 9.2984 9.5429 9.5429 10.2436 10.2436 10.4447 10.4447 10.4974 10.4974 10.5690 10.5690 10.6384 10.6384 12.2209 12.2209 12.2747 12.2747 12.5089 12.5089 12.5936 12.5936 12.7212 12.7212 13.1215 13.1215 13.1671 13.1671 14.7972 14.7972 15.3107 15.3107 16.3700 16.3700 16.5343 16.5343 18.0431 18.0431 18.3572 18.3572 k = 0.0987 0.0570 0.1612 ( 1799 PWs) bands (ev): 1.1513 1.1513 8.8047 8.8047 9.3157 9.3157 9.5536 9.5536 10.2316 10.2316 10.4344 10.4344 10.4848 10.4848 10.5597 10.5597 10.6363 10.6363 12.2299 12.2299 12.2778 12.2778 12.5364 12.5364 12.6140 12.6140 12.7377 12.7377 13.1328 13.1328 13.1768 13.1768 14.8356 14.8356 15.4233 15.4233 16.3844 16.3844 16.5501 16.5501 18.0572 18.0572 18.3183 18.3183 k = 0.0921 0.0532 0.1504 ( 1801 PWs) bands (ev): 1.1121 1.1121 8.8786 8.8786 9.3338 9.3338 9.5620 9.5620 10.2192 10.2192 10.4109 10.4109 10.4826 10.4826 10.5536 10.5536 10.6355 10.6355 12.2383 12.2383 12.2805 12.2805 12.5628 12.5628 12.6344 12.6344 12.7537 12.7537 13.1438 13.1438 13.1856 13.1856 14.8702 14.8702 15.5365 15.5365 16.3930 16.3930 16.5719 16.5719 18.0648 18.0648 18.2877 18.2877 k = 0.0855 0.0494 0.1397 ( 1805 PWs) bands (ev): 1.0755 1.0755 8.9494 8.9494 9.3526 9.3526 9.5685 9.5685 10.2066 10.2066 10.3807 10.3807 10.4860 10.4860 10.5494 10.5494 10.6358 10.6358 12.2461 12.2461 12.2830 12.2830 12.5880 12.5880 12.6539 12.6539 12.7692 12.7692 13.1548 13.1548 13.1936 13.1936 14.9011 14.9011 15.6494 15.6494 16.3999 16.3999 16.5970 16.5970 18.0632 18.0632 18.2661 18.2661 k = 0.0789 0.0456 0.1289 ( 1809 PWs) bands (ev): 1.0413 1.0413 9.0163 9.0163 9.3724 9.3724 9.5734 9.5734 10.1940 10.1940 10.3484 10.3484 10.4913 10.4913 10.5461 10.5461 10.6367 10.6367 12.2535 12.2535 12.2851 12.2851 12.6122 12.6122 12.6727 12.6727 12.7844 12.7844 13.1654 13.1654 13.2008 13.2008 14.9280 14.9280 15.7603 15.7603 16.4087 16.4087 16.6233 16.6233 18.0528 18.0528 18.2500 18.2500 k = 0.0724 0.0418 0.1182 ( 1807 PWs) bands (ev): 1.0098 1.0098 9.0787 9.0787 9.3932 9.3932 9.5774 9.5774 10.1815 10.1815 10.3158 10.3158 10.4973 10.4973 10.5435 10.5435 10.6382 10.6382 12.2603 12.2603 12.2870 12.2870 12.6352 12.6352 12.6901 12.6901 12.7994 12.7994 13.1756 13.1756 13.2073 13.2073 14.9512 14.9512 15.8672 15.8672 16.4219 16.4219 16.6498 16.6498 18.0368 18.0368 18.2294 18.2294 k = 0.0658 0.0380 0.1074 ( 1807 PWs) bands (ev): 0.9810 0.9810 9.1359 9.1359 9.4152 9.4152 9.5807 9.5807 10.1691 10.1691 10.2836 10.2836 10.5032 10.5032 10.5415 10.5415 10.6400 10.6400 12.2665 12.2665 12.2887 12.2887 12.6569 12.6569 12.7059 12.7059 12.8143 12.8143 13.1852 13.1852 13.2130 13.2130 14.9706 14.9706 15.9673 15.9673 16.4419 16.4419 16.6762 16.6762 18.0188 18.0188 18.1960 18.1960 k = 0.0592 0.0342 0.0967 ( 1811 PWs) bands (ev): 0.9548 0.9548 9.1871 9.1871 9.4385 9.4385 9.5836 9.5836 10.1569 10.1569 10.2524 10.2524 10.5087 10.5087 10.5397 10.5397 10.6420 10.6420 12.2722 12.2722 12.2902 12.2902 12.6772 12.6772 12.7198 12.7198 12.8286 12.8286 13.1945 13.1945 13.2181 13.2181 14.9866 14.9866 16.0571 16.0571 16.4712 16.4712 16.7022 16.7022 18.0020 18.0020 18.1587 18.1587 k = 0.0526 0.0304 0.0859 ( 1811 PWs) bands (ev): 0.9313 0.9313 9.2317 9.2317 9.4631 9.4631 9.5866 9.5866 10.1451 10.1451 10.2227 10.2227 10.5139 10.5139 10.5383 10.5383 10.6440 10.6440 12.2772 12.2772 12.2915 12.2915 12.6960 12.6960 12.7318 12.7318 12.8424 12.8424 13.2030 13.2030 13.2225 13.2225 14.9995 14.9995 16.1331 16.1331 16.5116 16.5116 16.7280 16.7280 17.9882 17.9882 18.1234 18.1234 k = 0.0461 0.0266 0.0752 ( 1811 PWs) bands (ev): 0.9105 0.9105 9.2693 9.2693 9.4888 9.4888 9.5898 9.5898 10.1338 10.1338 10.1948 10.1948 10.5184 10.5184 10.5370 10.5370 10.6460 10.6460 12.2817 12.2817 12.2926 12.2926 12.7131 12.7131 12.7420 12.7420 12.8554 12.8554 13.2107 13.2107 13.2262 13.2262 15.0095 15.0095 16.1931 16.1931 16.5631 16.5631 16.7532 16.7532 17.9784 17.9784 18.0915 18.0915 k = 0.0395 0.0228 0.0645 ( 1815 PWs) bands (ev): 0.8924 0.8924 9.3000 9.3000 9.5147 9.5147 9.5933 9.5933 10.1231 10.1231 10.1690 10.1690 10.5224 10.5224 10.5360 10.5360 10.6479 10.6479 12.2855 12.2855 12.2935 12.2935 12.7281 12.7281 12.7505 12.7505 12.8673 12.8673 13.2176 13.2176 13.2294 13.2294 15.0172 15.0172 16.2380 16.2380 16.6226 16.6226 16.7777 16.7777 17.9730 17.9730 18.0634 18.0634 k = 0.0329 0.0190 0.0537 ( 1815 PWs) bands (ev): 0.8771 0.8771 9.3241 9.3241 9.5399 9.5399 9.5971 9.5971 10.1133 10.1133 10.1459 10.1459 10.5258 10.5258 10.5352 10.5352 10.6497 10.6497 12.2888 12.2888 12.2943 12.2943 12.7413 12.7413 12.7575 12.7575 12.8779 12.8779 13.2235 13.2235 13.2320 13.2320 15.0228 15.0228 16.2707 16.2707 16.6844 16.6844 16.8008 16.8008 17.9715 17.9715 18.0394 18.0394 k = 0.0263 0.0152 0.0430 ( 1815 PWs) bands (ev): 0.8646 0.8646 9.3425 9.3425 9.5630 9.5630 9.6009 9.6009 10.1047 10.1047 10.1260 10.1260 10.5285 10.5285 10.5345 10.5345 10.6512 10.6512 12.2914 12.2914 12.2949 12.2949 12.7523 12.7523 12.7630 12.7630 12.8870 12.8870 13.2285 13.2285 13.2340 13.2340 15.0268 15.0268 16.2943 16.2943 16.7430 16.7430 16.8218 16.8218 17.9720 17.9720 18.0204 18.0204 k = 0.0197 0.0114 0.0322 ( 1809 PWs) bands (ev): 0.8548 0.8548 9.3559 9.3559 9.5825 9.5825 9.6045 9.6045 10.0975 10.0975 10.1097 10.1097 10.5307 10.5307 10.5340 10.5340 10.6525 10.6525 12.2936 12.2936 12.2957 12.2957 12.7612 12.7612 12.7673 12.7673 12.8943 12.8943 13.2324 13.2324 13.2356 13.2356 15.0295 15.0295 16.3111 16.3111 16.7935 16.7935 16.8397 16.8397 17.9703 17.9703 18.0086 18.0086 k = 0.0132 0.0076 0.0215 ( 1807 PWs) bands (ev): 0.8479 0.8479 9.3649 9.3649 9.5975 9.5975 9.6074 9.6074 10.0921 10.0921 10.0976 10.0976 10.5323 10.5323 10.5337 10.5337 10.6534 10.6534 12.2951 12.2951 12.2960 12.2960 12.7675 12.7675 12.7703 12.7703 12.8996 12.8996 13.2353 13.2353 13.2367 13.2367 15.0312 15.0312 16.3224 16.3224 16.8323 16.8323 16.8535 16.8535 17.9628 17.9628 18.0059 18.0059 k = 0.0066 0.0038 0.0107 ( 1807 PWs) bands (ev): 0.8437 0.8437 9.3701 9.3701 9.6069 9.6069 9.6094 9.6094 10.0887 10.0887 10.0901 10.0901 10.5332 10.5332 10.5335 10.5335 10.6540 10.6540 12.2960 12.2960 12.2962 12.2962 12.7713 12.7713 12.7720 12.7720 12.9029 12.9029 13.2370 13.2370 13.2373 13.2373 15.0321 15.0321 16.3289 16.3289 16.8568 16.8568 16.8622 16.8622 17.9542 17.9542 18.0074 18.0074 k = 0.0000 0.0000 0.0000 ( 1807 PWs) bands (ev): 0.8423 0.8423 9.3718 9.3718 9.6100 9.6100 9.6100 9.6100 10.0876 10.0876 10.0876 10.0876 10.5335 10.5335 10.5335 10.5335 10.6542 10.6542 12.2963 12.2963 12.2963 12.2963 12.7726 12.7726 12.7726 12.7726 12.9040 12.9040 13.2375 13.2375 13.2375 13.2375 15.0324 15.0324 16.3310 16.3310 16.8651 16.8651 16.8651 16.8651 17.9505 17.9505 18.0084 18.0084 k = 0.0000 0.0000 0.0000 ( 1807 PWs) bands (ev): 0.8423 0.8423 9.3718 9.3718 9.6100 9.6100 9.6100 9.6100 10.0876 10.0876 10.0876 10.0876 10.5335 10.5335 10.5335 10.5335 10.6542 10.6542 12.2963 12.2963 12.2963 12.2963 12.7726 12.7726 12.7726 12.7726 12.9040 12.9040 13.2375 13.2375 13.2375 13.2375 15.0324 15.0324 16.3310 16.3310 16.8651 16.8651 16.8651 16.8651 17.9505 17.9505 18.0084 18.0084 k = 0.0106 0.0061 0.0043 ( 1807 PWs) bands (ev): 0.8436 0.8436 9.3701 9.3701 9.6075 9.6075 9.6088 9.6088 10.0893 10.0893 10.0895 10.0895 10.5332 10.5332 10.5335 10.5335 10.6540 10.6540 12.2961 12.2961 12.2961 12.2961 12.7713 12.7713 12.7720 12.7720 12.9029 12.9029 13.2371 13.2371 13.2372 13.2372 15.0322 15.0322 16.3289 16.3289 16.8578 16.8578 16.8613 16.8613 17.9542 17.9542 18.0073 18.0073 k = 0.0213 0.0123 0.0087 ( 1807 PWs) bands (ev): 0.8477 0.8477 9.3651 9.3651 9.5998 9.5998 9.6052 9.6052 10.0944 10.0944 10.0951 10.0951 10.5324 10.5324 10.5337 10.5337 10.6534 10.6534 12.2955 12.2955 12.2956 12.2956 12.7675 12.7675 12.7704 12.7704 12.8997 12.8997 13.2359 13.2359 13.2361 13.2361 15.0312 15.0312 16.3227 16.3227 16.8363 16.8363 16.8501 16.8501 17.9651 17.9651 18.0042 18.0042 k = 0.0319 0.0184 0.0130 ( 1810 PWs) bands (ev): 0.8546 0.8546 9.3566 9.3566 9.5873 9.5873 9.5994 9.5994 10.1028 10.1028 10.1043 10.1043 10.5309 10.5309 10.5339 10.5339 10.6525 10.6525 12.2946 12.2946 12.2947 12.2947 12.7611 12.7611 12.7677 12.7677 12.8945 12.8945 13.2338 13.2338 13.2343 13.2343 15.0295 15.0295 16.3123 16.3123 16.8017 16.8017 16.8322 16.8322 17.9818 17.9818 18.0009 18.0009 k = 0.0426 0.0246 0.0174 ( 1810 PWs) bands (ev): 0.8642 0.8642 9.3443 9.3443 9.5704 9.5704 9.5917 9.5917 10.1144 10.1144 10.1168 10.1168 10.5290 10.5290 10.5342 10.5342 10.6513 10.6513 12.2933 12.2933 12.2935 12.2935 12.7522 12.7522 12.7639 12.7639 12.8874 12.8874 13.2310 13.2310 13.2318 13.2318 15.0267 15.0267 16.2977 16.2977 16.7559 16.7559 16.8083 16.8083 17.9934 17.9934 18.0087 18.0087 k = 0.0532 0.0307 0.0217 ( 1816 PWs) bands (ev): 0.8765 0.8765 9.3277 9.3277 9.5499 9.5499 9.5823 9.5823 10.1288 10.1288 10.1322 10.1322 10.5266 10.5266 10.5346 10.5346 10.6497 10.6497 12.2915 12.2915 12.2917 12.2917 12.7409 12.7409 12.7589 12.7589 12.8784 12.8784 13.2273 13.2273 13.2285 13.2285 15.0225 15.0225 16.2790 16.2790 16.7013 16.7013 16.7796 16.7796 17.9932 17.9932 18.0347 18.0347 k = 0.0638 0.0369 0.0261 ( 1816 PWs) bands (ev): 0.8915 0.8915 9.3063 9.3063 9.5268 9.5268 9.5715 9.5715 10.1460 10.1460 10.1502 10.1502 10.5237 10.5237 10.5353 10.5353 10.6478 10.6478 12.2895 12.2895 12.2899 12.2899 12.7271 12.7271 12.7530 12.7530 12.8680 12.8680 13.2228 13.2228 13.2244 13.2244 15.0164 15.0164 16.2560 16.2560 16.6407 16.6407 16.7470 16.7470 17.9947 17.9947 18.0650 18.0650 k = 0.0745 0.0430 0.0304 ( 1816 PWs) bands (ev): 0.9092 0.9092 9.2792 9.2792 9.5021 9.5021 9.5597 9.5597 10.1655 10.1655 10.1705 10.1705 10.5202 10.5202 10.5361 10.5361 10.6457 10.6457 12.2872 12.2872 12.2877 12.2877 12.7111 12.7111 12.7460 12.7460 12.8561 12.8561 13.2174 13.2174 13.2196 13.2196 15.0075 15.0075 16.2288 16.2288 16.5769 16.5769 16.7116 16.7116 17.9996 17.9996 18.0975 18.0975 k = 0.0851 0.0491 0.0347 ( 1810 PWs) bands (ev): 0.9295 0.9295 9.2456 9.2456 9.4772 9.4772 9.5472 9.5472 10.1873 10.1873 10.1928 10.1928 10.5164 10.5164 10.5373 10.5373 10.6435 10.6435 12.2845 12.2845 12.2852 12.2852 12.6932 12.6932 12.7382 12.7382 12.8430 12.8430 13.2113 13.2113 13.2140 13.2140 14.9952 14.9952 16.1973 16.1973 16.5129 16.5129 16.6741 16.6741 18.0081 18.0081 18.1311 18.1311 k = 0.0957 0.0553 0.0391 ( 1810 PWs) bands (ev): 0.9526 0.9526 9.2046 9.2046 9.4530 9.4530 9.5340 9.5340 10.2110 10.2110 10.2166 10.2166 10.5120 10.5120 10.5387 10.5387 10.6410 10.6410 12.2814 12.2814 12.2824 12.2824 12.6730 12.6730 12.7292 12.7292 12.8287 12.8287 13.2044 13.2044 13.2075 13.2075 14.9784 14.9784 16.1617 16.1617 16.4515 16.4515 16.6354 16.6354 18.0197 18.0197 18.1652 18.1652 k = 0.1064 0.0614 0.0434 ( 1799 PWs) bands (ev): 0.9783 0.9783 9.1560 9.1560 9.4302 9.4302 9.5206 9.5206 10.2365 10.2365 10.2418 10.2418 10.5075 10.5075 10.5407 10.5407 10.6386 10.6386 12.2780 12.2780 12.2794 12.2794 12.6512 12.6512 12.7195 12.7195 12.8136 12.8136 13.1967 13.1967 13.2003 13.2003 14.9559 14.9559 16.1228 16.1228 16.3945 16.3945 16.5960 16.5960 18.0335 18.0335 18.1994 18.1994 k = 0.1170 0.0676 0.0478 ( 1796 PWs) bands (ev): 1.0066 1.0066 9.0998 9.0998 9.4091 9.4091 9.5069 9.5069 10.2632 10.2632 10.2679 10.2679 10.5026 10.5026 10.5432 10.5432 10.6360 10.6360 12.2743 12.2743 12.2760 12.2760 12.6280 12.6280 12.7087 12.7087 12.7974 12.7974 13.1883 13.1883 13.1923 13.1923 14.9267 14.9267 16.0821 16.0821 16.3431 16.3431 16.5565 16.5565 18.0480 18.0480 18.2337 18.2337 k = 0.1277 0.0737 0.0521 ( 1802 PWs) bands (ev): 1.0374 1.0374 9.0362 9.0362 9.3895 9.3895 9.4932 9.4932 10.2910 10.2910 10.2945 10.2945 10.4977 10.4977 10.5464 10.5464 10.6334 10.6334 12.2701 12.2701 12.2724 12.2724 12.6037 12.6037 12.6970 12.6970 12.7804 12.7804 13.1788 13.1788 13.1832 13.1832 14.8897 14.8897 16.0419 16.0419 16.2972 16.2972 16.5172 16.5172 18.0615 18.0615 18.2687 18.2687 k = 0.1383 0.0798 0.0565 ( 1802 PWs) bands (ev): 1.0709 1.0709 8.9660 8.9660 9.3714 9.3714 9.4795 9.4795 10.3196 10.3196 10.3214 10.3214 10.4931 10.4931 10.5507 10.5507 10.6310 10.6310 12.2656 12.2656 12.2686 12.2686 12.5786 12.5786 12.6844 12.6844 12.7626 12.7626 13.1687 13.1687 13.1734 13.1734 14.8442 14.8442 16.0044 16.0044 16.2561 16.2561 16.4785 16.4785 18.0721 18.0721 18.2885 18.2885 k = 0.1489 0.0860 0.0608 ( 1808 PWs) bands (ev): 1.1068 1.1068 8.8895 8.8895 9.3546 9.3546 9.4660 9.4660 10.3480 10.3480 10.3482 10.3482 10.4892 10.4892 10.5563 10.5563 10.6287 10.6287 12.2607 12.2607 12.2645 12.2645 12.5529 12.5529 12.6710 12.6710 12.7440 12.7440 13.1577 13.1577 13.1627 13.1627 14.7899 14.7899 15.9715 15.9715 16.2190 16.2190 16.4406 16.4406 18.0779 18.0779 18.2887 18.2887 k = 0.1596 0.0921 0.0651 ( 1808 PWs) bands (ev): 1.1452 1.1452 8.8074 8.8074 9.3387 9.3387 9.4526 9.4526 10.3737 10.3737 10.3756 10.3756 10.4873 10.4873 10.5639 10.5639 10.6270 10.6270 12.2555 12.2555 12.2603 12.2603 12.5272 12.5272 12.6568 12.6568 12.7250 12.7250 13.1461 13.1461 13.1512 13.1512 14.7271 14.7271 15.9446 15.9446 16.1851 16.1851 16.4038 16.4038 18.0779 18.0779 18.2814 18.2814 k = 0.1702 0.0983 0.0695 ( 1805 PWs) bands (ev): 1.1861 1.1861 8.7200 8.7200 9.3237 9.3237 9.4395 9.4395 10.3977 10.3977 10.3995 10.3995 10.4896 10.4896 10.5743 10.5743 10.6258 10.6258 12.2499 12.2499 12.2558 12.2558 12.5018 12.5018 12.6420 12.6420 12.7054 12.7054 13.1338 13.1338 13.1388 13.1388 14.6564 14.6564 15.9239 15.9239 16.1537 16.1537 16.3683 16.3683 18.0713 18.0713 18.2669 18.2669 k = 0.1809 0.1044 0.0738 ( 1799 PWs) bands (ev): 1.2293 1.2293 8.6280 8.6280 9.3095 9.3095 9.4268 9.4268 10.4162 10.4162 10.4191 10.4191 10.4992 10.4992 10.5881 10.5881 10.6258 10.6258 12.2439 12.2439 12.2513 12.2513 12.4766 12.4766 12.6265 12.6265 12.6853 12.6853 13.1209 13.1209 13.1257 13.1257 14.5789 14.5789 15.9093 15.9093 16.1246 16.1246 16.3341 16.3341 18.0583 18.0583 18.2456 18.2456 k = 0.1915 0.1106 0.0782 ( 1805 PWs) bands (ev): 1.2748 1.2748 8.5316 8.5316 9.2958 9.2958 9.4143 9.4143 10.4238 10.4238 10.4373 10.4373 10.5169 10.5169 10.6057 10.6057 10.6276 10.6276 12.2374 12.2374 12.2465 12.2465 12.4520 12.4520 12.6104 12.6104 12.6647 12.6647 13.1072 13.1072 13.1117 13.1117 14.4958 14.4958 15.9000 15.9000 16.0972 16.0972 16.3014 16.3014 18.0392 18.0392 18.2181 18.2181 k = 0.2021 0.1167 0.0825 ( 1805 PWs) bands (ev): 1.3226 1.3226 8.4313 8.4313 9.2828 9.2828 9.4022 9.4022 10.4253 10.4253 10.4521 10.4521 10.5387 10.5387 10.6276 10.6276 10.6331 10.6331 12.2305 12.2305 12.2416 12.2416 12.4282 12.4282 12.5938 12.5938 12.6438 12.6438 13.0927 13.0927 13.0968 13.0968 14.4082 14.4082 15.8954 15.8954 16.0715 16.0715 16.2702 16.2702 18.0147 18.0147 18.1852 18.1852 k = 0.2128 0.1228 0.0869 ( 1799 PWs) bands (ev): 1.3726 1.3726 8.3275 8.3275 9.2705 9.2705 9.3905 9.3905 10.4238 10.4238 10.4638 10.4638 10.5584 10.5584 10.6451 10.6451 10.6533 10.6533 12.2232 12.2232 12.2367 12.2367 12.4055 12.4055 12.5768 12.5768 12.6226 12.6226 13.0777 13.0777 13.0811 13.0811 14.3174 14.3174 15.8945 15.8945 16.0474 16.0474 16.2406 16.2406 17.9856 17.9856 18.1478 18.1478 k = 0.2234 0.1290 0.0912 ( 1799 PWs) bands (ev): 1.4247 1.4247 8.2207 8.2207 9.2586 9.2586 9.3792 9.3792 10.4210 10.4210 10.4728 10.4728 10.5716 10.5716 10.6662 10.6662 10.6822 10.6822 12.2154 12.2154 12.2315 12.2315 12.3837 12.3837 12.5593 12.5593 12.6012 12.6012 13.0620 13.0620 13.0647 13.0647 14.2244 14.2244 15.8966 15.8966 16.0248 16.0248 16.2127 16.2127 17.9525 17.9525 18.1065 18.1065 k = 0.2340 0.1351 0.0955 ( 1799 PWs) bands (ev): 1.4788 1.4788 8.1112 8.1112 9.2474 9.2474 9.3683 9.3683 10.4179 10.4179 10.4799 10.4799 10.5786 10.5786 10.6952 10.6952 10.7137 10.7137 12.2069 12.2069 12.2261 12.2261 12.3628 12.3628 12.5415 12.5415 12.5797 12.5797 13.0458 13.0458 13.0476 13.0476 14.1301 14.1301 15.9009 15.9009 16.0037 16.0037 16.1865 16.1865 17.9163 17.9163 18.0623 18.0623 k = 0.2447 0.1413 0.0999 ( 1799 PWs) bands (ev): 1.5348 1.5348 7.9994 7.9994 9.2366 9.2366 9.3579 9.3579 10.4151 10.4151 10.4856 10.4856 10.5818 10.5818 10.7292 10.7292 10.7469 10.7469 12.1980 12.1980 12.2208 12.2208 12.3434 12.3434 12.5234 12.5234 12.5580 12.5580 13.0290 13.0290 13.0297 13.0297 14.0352 14.0352 15.9068 15.9068 15.9841 15.9841 16.1619 16.1619 17.8776 17.8776 18.0156 18.0156 k = 0.2553 0.1474 0.1042 ( 1799 PWs) bands (ev): 1.5926 1.5926 7.8859 7.8859 9.2263 9.2263 9.3478 9.3478 10.4128 10.4128 10.4902 10.4902 10.5832 10.5832 10.7661 10.7661 10.7816 10.7816 12.1885 12.1885 12.2153 12.2153 12.3252 12.3252 12.5050 12.5050 12.5362 12.5362 13.0112 13.0112 13.0118 13.0118 13.9405 13.9405 15.9135 15.9135 15.9662 15.9662 16.1390 16.1390 17.8370 17.8370 17.9672 17.9672 k = 0.2660 0.1536 0.1086 ( 1799 PWs) bands (ev): 1.6521 1.6521 7.7709 7.7709 9.2164 9.2164 9.3382 9.3382 10.4112 10.4112 10.4942 10.4942 10.5836 10.5836 10.8047 10.8047 10.8172 10.8172 12.1786 12.1786 12.2097 12.2097 12.3081 12.3081 12.4865 12.4865 12.5145 12.5145 12.9921 12.9921 12.9941 12.9941 13.8466 13.8466 15.9196 15.9196 15.9509 15.9509 16.1177 16.1177 17.7952 17.7952 17.9177 17.9177 k = 0.2766 0.1597 0.1129 ( 1805 PWs) bands (ev): 1.7131 1.7131 7.6550 7.6550 9.2070 9.2070 9.3289 9.3289 10.4104 10.4104 10.4976 10.4976 10.5835 10.5835 10.8444 10.8444 10.8533 10.8533 12.1683 12.1683 12.2041 12.2041 12.2922 12.2922 12.4679 12.4679 12.4929 12.4929 12.9725 12.9725 12.9760 12.9760 13.7539 13.7539 15.9205 15.9205 15.9426 15.9426 16.0981 16.0981 17.7526 17.7526 17.8675 17.8675 k = 0.2872 0.1658 0.1173 ( 1805 PWs) bands (ev): 1.7755 1.7755 7.5385 7.5385 9.1981 9.1981 9.3202 9.3202 10.4104 10.4104 10.5007 10.5007 10.5833 10.5833 10.8849 10.8849 10.8901 10.8901 12.1576 12.1576 12.1983 12.1983 12.2773 12.2773 12.4493 12.4493 12.4714 12.4714 12.9524 12.9524 12.9577 12.9577 13.6630 13.6630 15.9112 15.9112 15.9459 15.9459 16.0801 16.0801 17.7096 17.7096 17.8172 17.8172 k = 0.2979 0.1720 0.1216 ( 1808 PWs) bands (ev): 1.8391 1.8391 7.4218 7.4218 9.1897 9.1897 9.3119 9.3119 10.4109 10.4109 10.5036 10.5036 10.5830 10.5830 10.9260 10.9260 10.9271 10.9271 12.1465 12.1465 12.1924 12.1924 12.2633 12.2633 12.4308 12.4308 12.4501 12.4501 12.9319 12.9319 12.9391 12.9391 13.5741 13.5741 15.8990 15.8990 15.9532 15.9532 16.0637 16.0637 17.6668 17.6668 17.7671 17.7671 k = 0.3085 0.1781 0.1259 ( 1805 PWs) bands (ev): 1.9037 1.9037 7.3055 7.3055 9.1818 9.1818 9.3041 9.3041 10.4130 10.4130 10.5063 10.5063 10.5828 10.5828 10.9642 10.9642 10.9674 10.9674 12.1353 12.1353 12.1865 12.1865 12.2500 12.2500 12.4124 12.4124 12.4291 12.4291 12.9112 12.9112 12.9204 12.9204 13.4879 13.4879 15.8870 15.8870 15.9614 15.9614 16.0487 16.0487 17.6244 17.6244 17.7175 17.7175 k = 0.3191 0.1843 0.1303 ( 1814 PWs) bands (ev): 1.9691 1.9691 7.1900 7.1900 9.1742 9.1742 9.2966 9.2966 10.4158 10.4158 10.5087 10.5087 10.5825 10.5825 11.0011 11.0011 11.0089 11.0089 12.1239 12.1239 12.1806 12.1806 12.2373 12.2373 12.3942 12.3942 12.4083 12.4083 12.8900 12.8900 12.9015 12.9015 13.4044 13.4044 15.8757 15.8757 15.9697 15.9697 16.0352 16.0352 17.5827 17.5827 17.6689 17.6689 k = 0.3298 0.1904 0.1346 ( 1820 PWs) bands (ev): 2.0350 2.0350 7.0757 7.0757 9.1671 9.1671 9.2896 9.2896 10.4194 10.4194 10.5112 10.5112 10.5825 10.5825 11.0379 11.0379 11.0505 11.0505 12.1124 12.1124 12.1745 12.1745 12.2250 12.2250 12.3763 12.3763 12.3878 12.3878 12.8688 12.8688 12.8827 12.8827 13.3240 13.3240 15.8654 15.8654 15.9777 15.9777 16.0232 16.0232 17.5421 17.5421 17.6215 17.6215 k = 0.3404 0.1965 0.1390 ( 1814 PWs) bands (ev): 2.1011 2.1011 6.9633 6.9633 9.1606 9.1606 9.2830 9.2830 10.4239 10.4239 10.5137 10.5137 10.5827 10.5827 11.0742 11.0742 11.0920 11.0920 12.1009 12.1009 12.1685 12.1685 12.2132 12.2132 12.3589 12.3589 12.3677 12.3677 12.8477 12.8477 12.8642 12.8642 13.2477 13.2477 15.8560 15.8560 15.9854 15.9854 16.0125 16.0125 17.5029 17.5029 17.5756 17.5756 k = 0.3511 0.2027 0.1433 ( 1814 PWs) bands (ev): 2.1671 2.1671 6.8531 6.8531 9.1544 9.1544 9.2769 9.2769 10.4292 10.4292 10.5160 10.5160 10.5829 10.5829 11.1100 11.1100 11.1331 11.1331 12.0894 12.0894 12.1624 12.1624 12.2016 12.2016 12.3418 12.3418 12.3480 12.3480 12.8265 12.8265 12.8459 12.8459 13.1753 13.1753 15.8475 15.8475 15.9927 15.9927 16.0031 16.0031 17.4651 17.4651 17.5314 17.5314 k = 0.3617 0.2088 0.1477 ( 1805 PWs) bands (ev): 2.2326 2.2326 6.7457 6.7457 9.1487 9.1487 9.2712 9.2712 10.4352 10.4352 10.5184 10.5184 10.5834 10.5834 11.1451 11.1451 11.1740 11.1740 12.0780 12.0780 12.1563 12.1563 12.1902 12.1902 12.3253 12.3253 12.3288 12.3288 12.8054 12.8054 12.8281 12.8281 13.1073 13.1073 15.8399 15.8399 15.9949 15.9949 15.9995 15.9995 17.4291 17.4291 17.4892 17.4892 k = 0.3723 0.2150 0.1520 ( 1805 PWs) bands (ev): 2.2972 2.2972 6.6417 6.6417 9.1433 9.1433 9.2659 9.2659 10.4416 10.4416 10.5206 10.5206 10.5840 10.5840 11.1792 11.1792 11.2141 11.2141 12.0666 12.0666 12.1501 12.1501 12.1789 12.1789 12.3094 12.3094 12.3100 12.3100 12.7843 12.7843 12.8107 12.8107 13.0441 13.0441 15.8331 15.8331 15.9878 15.9878 16.0058 16.0058 17.3951 17.3951 17.4491 17.4491 k = 0.3830 0.2211 0.1564 ( 1790 PWs) bands (ev): 2.3604 2.3604 6.5418 6.5418 9.1385 9.1385 9.2611 9.2611 10.4488 10.4488 10.5227 10.5227 10.5847 10.5847 11.2122 11.2122 11.2535 11.2535 12.0556 12.0556 12.1441 12.1441 12.1678 12.1678 12.2920 12.2920 12.2943 12.2943 12.7634 12.7634 12.7944 12.7944 12.9863 12.9863 15.8272 15.8272 15.9817 15.9817 16.0115 16.0115 17.3631 17.3631 17.4115 17.4115 k = 0.3936 0.2273 0.1607 ( 1790 PWs) bands (ev): 2.4216 2.4216 6.4466 6.4466 9.1341 9.1341 9.2567 9.2567 10.4559 10.4559 10.5247 10.5247 10.5855 10.5855 11.2437 11.2437 11.2918 11.2918 12.0446 12.0446 12.1380 12.1380 12.1565 12.1565 12.2745 12.2745 12.2798 12.2798 12.7422 12.7422 12.7785 12.7785 12.9342 12.9342 15.8219 15.8219 15.9766 15.9766 16.0168 16.0168 17.3334 17.3334 17.3764 17.3764 k = 0.4043 0.2334 0.1650 ( 1796 PWs) bands (ev): 2.4804 2.4804 6.3568 6.3568 9.1300 9.1300 9.2527 9.2527 10.4631 10.4631 10.5265 10.5265 10.5865 10.5865 11.2736 11.2736 11.3287 11.3287 12.0339 12.0339 12.1316 12.1316 12.1450 12.1450 12.2579 12.2579 12.2663 12.2663 12.7206 12.7206 12.7635 12.7635 12.8885 12.8885 15.8173 15.8173 15.9723 15.9723 16.0215 16.0215 17.3061 17.3061 17.3440 17.3440 k = 0.4149 0.2395 0.1694 ( 1796 PWs) bands (ev): 2.5359 2.5359 6.2732 6.2732 9.1264 9.1264 9.2491 9.2491 10.4702 10.4702 10.5283 10.5283 10.5875 10.5875 11.3017 11.3017 11.3639 11.3639 12.0236 12.0236 12.1257 12.1257 12.1337 12.1337 12.2424 12.2424 12.2537 12.2537 12.6988 12.6988 12.7497 12.7497 12.8494 12.8494 15.8134 15.8134 15.9688 15.9688 16.0257 16.0257 17.2813 17.2813 17.3146 17.3146 k = 0.4255 0.2457 0.1737 ( 1796 PWs) bands (ev): 2.5875 2.5875 6.1966 6.1966 9.1233 9.1233 9.2459 9.2459 10.4770 10.4770 10.5298 10.5298 10.5887 10.5887 11.3276 11.3276 11.3971 11.3971 12.0138 12.0138 12.1199 12.1199 12.1224 12.1224 12.2281 12.2281 12.2423 12.2423 12.6770 12.6770 12.7372 12.7372 12.8170 12.8170 15.8101 15.8101 15.9660 15.9660 16.0294 16.0294 17.2592 17.2592 17.2882 17.2882 k = 0.4362 0.2518 0.1781 ( 1790 PWs) bands (ev): 2.6344 2.6344 6.1278 6.1278 9.1205 9.1205 9.2432 9.2432 10.4833 10.4833 10.5313 10.5313 10.5900 10.5900 11.3510 11.3510 11.4279 11.4279 12.0048 12.0048 12.1112 12.1112 12.1145 12.1145 12.2153 12.2153 12.2323 12.2323 12.6559 12.6559 12.7261 12.7261 12.7911 12.7911 15.8073 15.8073 15.9637 15.9637 16.0325 16.0325 17.2398 17.2398 17.2650 17.2650 k = 0.4468 0.2580 0.1824 ( 1787 PWs) bands (ev): 2.6759 2.6759 6.0678 6.0678 9.1182 9.1182 9.2408 9.2408 10.4889 10.4889 10.5326 10.5326 10.5912 10.5912 11.3716 11.3716 11.4555 11.4555 11.9967 11.9967 12.1004 12.1004 12.1094 12.1094 12.2042 12.2042 12.2235 12.2235 12.6361 12.6361 12.7164 12.7164 12.7709 12.7709 15.8050 15.8050 15.9620 15.9620 16.0352 16.0352 17.2233 17.2233 17.2452 17.2452 k = 0.4574 0.2641 0.1868 ( 1787 PWs) bands (ev): 2.7111 2.7111 6.0172 6.0172 9.1163 9.1163 9.2389 9.2389 10.4937 10.4937 10.5336 10.5336 10.5923 10.5923 11.3890 11.3890 11.4796 11.4796 11.9896 11.9896 12.0904 12.0904 12.1049 12.1049 12.1950 12.1950 12.2162 12.2162 12.6187 12.6187 12.7083 12.7083 12.7554 12.7554 15.8032 15.8032 15.9607 15.9607 16.0373 16.0373 17.2096 17.2096 17.2288 17.2288 k = 0.4681 0.2702 0.1911 ( 1787 PWs) bands (ev): 2.7395 2.7395 5.9770 5.9770 9.1148 9.1148 9.2375 9.2375 10.4975 10.4975 10.5345 10.5345 10.5933 10.5933 11.4030 11.4030 11.4993 11.4993 11.9838 11.9838 12.0817 12.0817 12.1011 12.1011 12.1877 12.1877 12.2104 12.2104 12.6045 12.6045 12.7019 12.7019 12.7441 12.7441 15.8018 15.8018 15.9598 15.9598 16.0390 16.0390 17.1990 17.1990 17.2159 17.2159 k = 0.4787 0.2764 0.1954 ( 1787 PWs) bands (ev): 2.7602 2.7602 5.9477 5.9477 9.1138 9.1138 9.2364 9.2364 10.5004 10.5004 10.5350 10.5350 10.5941 10.5941 11.4132 11.4132 11.5140 11.5140 11.9795 11.9795 12.0749 12.0749 12.0983 12.0983 12.1824 12.1824 12.2063 12.2063 12.5940 12.5940 12.6973 12.6973 12.7363 12.7363 15.8009 15.8009 15.9591 15.9591 16.0402 16.0402 17.1913 17.1913 17.2067 17.2067 k = 0.4894 0.2825 0.1998 ( 1793 PWs) bands (ev): 2.7728 2.7728 5.9299 5.9299 9.1130 9.1130 9.2356 9.2356 10.5020 10.5020 10.5354 10.5354 10.5945 10.5945 11.4194 11.4194 11.5230 11.5230 11.9768 11.9768 12.0705 12.0705 12.0965 12.0965 12.1793 12.1793 12.2038 12.2038 12.5876 12.5876 12.6945 12.6945 12.7318 12.7318 15.8002 15.8002 15.9587 15.9587 16.0409 16.0409 17.1867 17.1867 17.2011 17.2011 k = 0.5000 0.2887 0.2041 ( 1802 PWs) bands (ev): 2.7771 2.7771 5.9239 5.9239 9.1127 9.1127 9.2354 9.2354 10.5024 10.5024 10.5355 10.5355 10.5947 10.5947 11.4214 11.4214 11.5260 11.5260 11.9758 11.9758 12.0689 12.0689 12.0958 12.0958 12.1781 12.1781 12.2029 12.2029 12.5854 12.5854 12.6934 12.6934 12.7302 12.7302 15.8000 15.8000 15.9586 15.9586 16.0411 16.0411 17.1851 17.1851 17.1992 17.1992 k = 0.5000 0.2887 0.2041 ( 1802 PWs) bands (ev): 2.7771 2.7771 5.9239 5.9239 9.1127 9.1127 9.2354 9.2354 10.5024 10.5024 10.5355 10.5355 10.5947 10.5947 11.4214 11.4214 11.5260 11.5260 11.9758 11.9758 12.0689 12.0689 12.0958 12.0958 12.1781 12.1781 12.2029 12.2029 12.5854 12.5854 12.6934 12.6934 12.7302 12.7302 15.8000 15.8000 15.9586 15.9586 16.0411 16.0411 17.1851 17.1851 17.1992 17.1992 k = 0.5038 0.2777 0.2103 ( 1794 PWs) bands (ev): 2.7780 2.7780 5.9254 5.9254 9.1117 9.1117 9.2344 9.2344 10.5018 10.5018 10.5356 10.5356 10.5945 10.5945 11.4213 11.4213 11.5258 11.5258 11.9737 11.9737 12.0688 12.0688 12.0956 12.0956 12.1788 12.1788 12.2020 12.2020 12.5863 12.5863 12.6942 12.6942 12.7309 12.7309 15.7697 15.7697 15.9107 15.9107 16.0982 16.0982 17.1943 17.1943 17.2099 17.2099 k = 0.5076 0.2668 0.2165 ( 1792 PWs) bands (ev): 2.7805 2.7805 5.9299 5.9299 9.1080 9.1080 9.2316 9.2316 10.5000 10.5000 10.5358 10.5358 10.5939 10.5939 11.4206 11.4206 11.5250 11.5250 11.9675 11.9675 12.0680 12.0680 12.0945 12.0945 12.1804 12.1804 12.1996 12.1996 12.5890 12.5890 12.6963 12.6963 12.7328 12.7328 15.6886 15.6886 15.8480 15.8480 16.1799 16.1799 17.2109 17.2109 17.2520 17.2520 k = 0.5114 0.2559 0.2227 ( 1791 PWs) bands (ev): 2.7848 2.7848 5.9374 5.9374 9.1011 9.1011 9.2274 9.2274 10.4967 10.4967 10.5363 10.5363 10.5932 10.5932 11.4191 11.4191 11.5238 11.5238 11.9583 11.9583 12.0659 12.0659 12.0925 12.0925 12.1824 12.1824 12.1968 12.1968 12.5933 12.5933 12.6996 12.6996 12.7360 12.7360 15.5815 15.5815 15.7810 15.7810 16.2544 16.2544 17.2367 17.2367 17.3213 17.3213 k = 0.5152 0.2449 0.2289 ( 1791 PWs) bands (ev): 2.7909 2.7909 5.9479 5.9479 9.0900 9.0900 9.2230 9.2230 10.4918 10.4918 10.5370 10.5370 10.5923 10.5923 11.4168 11.4168 11.5223 11.5223 11.9468 11.9468 12.0621 12.0621 12.0891 12.0891 12.1816 12.1816 12.1969 12.1969 12.5988 12.5988 12.7040 12.7040 12.7405 12.7405 15.4637 15.4637 15.7045 15.7045 16.3159 16.3159 17.2759 17.2759 17.4109 17.4109 k = 0.5189 0.2340 0.2351 ( 1792 PWs) bands (ev): 2.7985 2.7985 5.9613 5.9613 9.0738 9.0738 9.2194 9.2194 10.4853 10.4853 10.5378 10.5378 10.5914 10.5914 11.4131 11.4131 11.5209 11.5209 11.9339 11.9339 12.0562 12.0562 12.0844 12.0844 12.1764 12.1764 12.2020 12.2020 12.6051 12.6051 12.7094 12.7094 12.7465 12.7465 15.3415 15.3415 15.6197 15.6197 16.3622 16.3622 17.3307 17.3307 17.5161 17.5161 k = 0.5227 0.2231 0.2412 ( 1785 PWs) bands (ev): 2.8079 2.8079 5.9778 5.9778 9.0517 9.0517 9.2174 9.2174 10.4767 10.4767 10.5390 10.5390 10.5911 10.5911 11.4077 11.4077 11.5200 11.5200 11.9203 11.9203 12.0481 12.0481 12.0787 12.0787 12.1688 12.1688 12.2097 12.2097 12.6122 12.6122 12.7154 12.7154 12.7541 12.7541 15.2175 15.2175 15.5288 15.5288 16.3933 16.3933 17.4017 17.4017 17.6331 17.6331 k = 0.5265 0.2121 0.2474 ( 1783 PWs) bands (ev): 2.8189 2.8189 5.9971 5.9971 9.0234 9.0234 9.2174 9.2174 10.4661 10.4661 10.5404 10.5404 10.5913 10.5913 11.4002 11.4002 11.5198 11.5198 11.9064 11.9064 12.0378 12.0378 12.0723 12.0723 12.1602 12.1602 12.2186 12.2186 12.6195 12.6195 12.7219 12.7219 12.7629 12.7629 15.0935 15.0935 15.4339 15.4339 16.4110 16.4110 17.4879 17.4879 17.7594 17.7594 k = 0.5303 0.2012 0.2536 ( 1784 PWs) bands (ev): 2.8314 2.8314 6.0194 6.0194 8.9891 8.9891 9.2192 9.2192 10.4533 10.4533 10.5417 10.5417 10.5922 10.5922 11.3901 11.3901 11.5205 11.5205 11.8925 11.8925 12.0258 12.0258 12.0652 12.0652 12.1509 12.1509 12.2279 12.2279 12.6269 12.6269 12.7288 12.7288 12.7730 12.7730 14.9706 14.9706 15.3367 15.3367 16.4181 16.4181 17.5875 17.5875 17.8930 17.8930 k = 0.5341 0.1903 0.2598 ( 1786 PWs) bands (ev): 2.8455 2.8455 6.0446 6.0446 8.9492 8.9492 9.2227 9.2227 10.4383 10.4383 10.5430 10.5430 10.5942 10.5942 11.3773 11.3773 11.5224 11.5224 11.8790 11.8790 12.0125 12.0125 12.0577 12.0577 12.1410 12.1410 12.2374 12.2374 12.6342 12.6342 12.7361 12.7361 12.7840 12.7840 14.8500 14.8500 15.2383 15.2383 16.4174 16.4174 17.6984 17.6984 18.0325 18.0325 k = 0.5379 0.1793 0.2660 ( 1782 PWs) bands (ev): 2.8611 2.8611 6.0727 6.0727 8.9039 8.9039 9.2277 9.2277 10.4211 10.4211 10.5443 10.5443 10.5973 10.5973 11.3619 11.3619 11.5256 11.5256 11.8661 11.8661 11.9984 11.9984 12.0497 12.0497 12.1307 12.1307 12.2468 12.2468 12.6414 12.6414 12.7436 12.7436 12.7958 12.7958 14.7323 14.7323 15.1397 15.1397 16.4112 16.4112 17.8188 17.8188 18.1771 18.1771 k = 0.5417 0.1684 0.2722 ( 1784 PWs) bands (ev): 2.8781 2.8781 6.1036 6.1036 8.8537 8.8537 9.2338 9.2338 10.4017 10.4017 10.5453 10.5453 10.6015 10.6015 11.3439 11.3439 11.5298 11.5298 11.8538 11.8538 11.9838 11.9838 12.0411 12.0411 12.1201 12.1201 12.2558 12.2558 12.6483 12.6483 12.7514 12.7514 12.8081 12.8081 14.6182 14.6182 15.0415 15.0415 16.4015 16.4015 17.9473 17.9473 18.3260 18.3260 k = 0.5455 0.1575 0.2784 ( 1784 PWs) bands (ev): 2.8964 2.8964 6.1374 6.1374 8.7989 8.7989 9.2411 9.2411 10.3802 10.3802 10.5461 10.5461 10.6069 10.6069 11.3236 11.3236 11.5351 11.5351 11.8422 11.8422 11.9692 11.9692 12.0321 12.0321 12.1093 12.1093 12.2644 12.2644 12.6548 12.6548 12.7594 12.7594 12.8205 12.8205 14.5082 14.5082 14.9444 14.9444 16.3896 16.3896 18.0828 18.0828 18.4787 18.4787 k = 0.5492 0.1465 0.2845 ( 1787 PWs) bands (ev): 2.9160 2.9160 6.1739 6.1739 8.7397 8.7397 9.2494 9.2494 10.3565 10.3565 10.5467 10.5467 10.6134 10.6134 11.3013 11.3013 11.5412 11.5412 11.8314 11.8314 11.9547 11.9547 12.0226 12.0226 12.0982 12.0982 12.2726 12.2726 12.6608 12.6608 12.7674 12.7674 12.8328 12.8328 14.4030 14.4030 14.8486 14.8486 16.3765 16.3765 18.2246 18.2246 18.6348 18.6348 k = 0.5530 0.1356 0.2907 ( 1787 PWs) bands (ev): 2.9368 2.9368 6.2131 6.2131 8.6766 8.6766 9.2585 9.2585 10.3310 10.3310 10.5474 10.5474 10.6208 10.6208 11.2775 11.2775 11.5481 11.5481 11.8214 11.8214 11.9407 11.9407 12.0127 12.0127 12.0871 12.0871 12.2802 12.2802 12.6664 12.6664 12.7756 12.7756 12.8449 12.8449 14.3027 14.3027 14.7545 14.7545 16.3629 16.3629 18.3720 18.3720 18.7939 18.7939 k = 0.5568 0.1247 0.2969 ( 1791 PWs) bands (ev): 2.9587 2.9587 6.2550 6.2550 8.6099 8.6099 9.2683 9.2683 10.3035 10.3035 10.5480 10.5480 10.6292 10.6292 11.2523 11.2523 11.5556 11.5556 11.8120 11.8120 11.9271 11.9271 12.0023 12.0023 12.0758 12.0758 12.2872 12.2872 12.6713 12.6713 12.7837 12.7837 12.8566 12.8566 14.2078 14.2078 14.6625 14.6625 16.3492 16.3492 18.5245 18.5245 18.9557 18.9557 k = 0.5606 0.1137 0.3031 ( 1791 PWs) bands (ev): 2.9816 2.9816 6.2996 6.2996 8.5400 8.5400 9.2789 9.2789 10.2744 10.2744 10.5486 10.5486 10.6384 10.6384 11.2263 11.2263 11.5636 11.5636 11.8034 11.8034 11.9143 11.9143 11.9915 11.9915 12.0646 12.0646 12.2938 12.2938 12.6755 12.6755 12.7916 12.7916 12.8676 12.8676 14.1185 14.1185 14.5726 14.5726 16.3358 16.3358 18.6818 18.6818 19.1200 19.1200 k = 0.5644 0.1028 0.3093 ( 1789 PWs) bands (ev): 3.0053 3.0053 6.3466 6.3466 8.4671 8.4671 9.2901 9.2901 10.2438 10.2438 10.5493 10.5493 10.6482 10.6482 11.1998 11.1998 11.5719 11.5719 11.7956 11.7956 11.9021 11.9021 11.9804 11.9804 12.0536 12.0536 12.2998 12.2998 12.6790 12.6790 12.7993 12.7993 12.8780 12.8780 14.0351 14.0351 14.4853 14.4853 16.3229 16.3229 18.8433 18.8433 19.2866 19.2866 k = 0.5682 0.0919 0.3155 ( 1789 PWs) bands (ev): 3.0297 3.0297 6.3962 6.3962 8.3917 8.3917 9.3018 9.3018 10.2118 10.2118 10.5502 10.5502 10.6586 10.6586 11.1729 11.1729 11.5803 11.5803 11.7884 11.7884 11.8907 11.8907 11.9688 11.9688 12.0427 12.0427 12.3053 12.3053 12.6815 12.6815 12.8067 12.8067 12.8874 12.8874 13.9578 13.9578 14.4006 14.4006 16.3106 16.3106 19.0087 19.0087 19.4553 19.4553 k = 0.5720 0.0809 0.3217 ( 1788 PWs) bands (ev): 3.0547 3.0547 6.4481 6.4481 8.3143 8.3143 9.3140 9.3140 10.1789 10.1789 10.5512 10.5512 10.6694 10.6694 11.1461 11.1461 11.5887 11.5887 11.7818 11.7818 11.8799 11.8799 11.9568 11.9568 12.0323 12.0323 12.3104 12.3104 12.6830 12.6830 12.8137 12.8137 12.8959 12.8959 13.8867 13.8867 14.3189 14.3189 16.2989 16.2989 19.1773 19.1773 19.6257 19.6257 k = 0.5758 0.0700 0.3278 ( 1789 PWs) bands (ev): 3.0800 3.0800 6.5022 6.5022 8.2353 8.2353 9.3266 9.3266 10.1451 10.1451 10.5523 10.5523 10.6805 10.6805 11.1196 11.1196 11.5970 11.5970 11.7758 11.7758 11.8699 11.8699 11.9444 11.9444 12.0224 12.0224 12.3151 12.3151 12.6834 12.6834 12.8201 12.8201 12.9033 12.9033 13.8219 13.8219 14.2401 14.2401 16.2880 16.2880 19.3482 19.3482 19.7976 19.7976 k = 0.5795 0.0590 0.3340 ( 1787 PWs) bands (ev): 3.1056 3.1056 6.5584 6.5584 8.1551 8.1551 9.3397 9.3397 10.1109 10.1109 10.5536 10.5536 10.6916 10.6916 11.0935 11.0935 11.6048 11.6048 11.7705 11.7705 11.8604 11.8604 11.9316 11.9316 12.0131 12.0131 12.3196 12.3196 12.6826 12.6826 12.8259 12.8259 12.9096 12.9096 13.7634 13.7634 14.1647 14.1647 16.2778 16.2778 19.5197 19.5197 19.9707 19.9707 k = 0.5833 0.0481 0.3402 ( 1779 PWs) bands (ev): 3.1312 3.1312 6.6164 6.6164 8.0744 8.0744 9.3532 9.3532 10.0766 10.0766 10.5554 10.5554 10.7028 10.7028 11.0681 11.0681 11.6121 11.6121 11.7657 11.7657 11.8514 11.8514 11.9188 11.9188 12.0048 12.0048 12.3237 12.3237 12.6806 12.6806 12.8311 12.8311 12.9148 12.9148 13.7113 13.7113 14.0928 14.0928 16.2683 16.2683 19.6885 19.6885 20.1445 20.1445 k = 0.5871 0.0372 0.3464 ( 1787 PWs) bands (ev): 3.1565 3.1565 6.6760 6.6760 7.9939 7.9939 9.3668 9.3668 10.0423 10.0423 10.5572 10.5572 10.7135 10.7135 11.0432 11.0432 11.6185 11.6185 11.7613 11.7613 11.8424 11.8424 11.9060 11.9060 11.9972 11.9972 12.3276 12.3276 12.6772 12.6772 12.8354 12.8354 12.9187 12.9187 13.6653 13.6653 14.0244 14.0244 16.2594 16.2594 19.8456 19.8456 20.3173 20.3173 k = 0.5909 0.0262 0.3526 ( 1784 PWs) bands (ev): 3.1814 3.1814 6.7369 6.7369 7.9142 7.9142 9.3807 9.3807 10.0086 10.0086 10.5592 10.5592 10.7240 10.7240 11.0192 11.0192 11.6240 11.6240 11.7575 11.7575 11.8331 11.8331 11.8942 11.8942 11.9907 11.9907 12.3316 12.3316 12.6726 12.6726 12.8388 12.8388 12.9215 12.9215 13.6253 13.6253 13.9600 13.9600 16.2512 16.2512 19.9632 19.9632 20.4436 20.4436 k = 0.5947 0.0153 0.3588 ( 1786 PWs) bands (ev): 3.2056 3.2056 6.7984 6.7984 7.8364 7.8364 9.3948 9.3948 9.9756 9.9756 10.5615 10.5615 10.7337 10.7337 10.9962 10.9962 11.6282 11.6282 11.7539 11.7539 11.8223 11.8223 11.8842 11.8842 11.9853 11.9853 12.3356 12.3356 12.6667 12.6667 12.8414 12.8414 12.9233 12.9233 13.5912 13.5912 13.8995 13.8995 16.2436 16.2436 19.9803 19.9803 20.4697 20.4697 k = 0.5985 0.0044 0.3649 ( 1782 PWs) bands (ev): 3.2288 3.2288 6.8598 6.8598 7.7618 7.7618 9.4091 9.4091 9.9437 9.9437 10.5640 10.5640 10.7425 10.7425 10.9741 10.9741 11.6312 11.6312 11.7507 11.7507 11.8096 11.8096 11.8769 11.8769 11.9812 11.9812 12.3398 12.3398 12.6597 12.6597 12.8430 12.8430 12.9243 12.9243 13.5626 13.5626 13.8433 13.8433 16.2365 16.2365 19.8963 19.8963 20.5889 20.5889 k = 0.6023-0.0066 0.3711 ( 1784 PWs) bands (ev): 3.2507 3.2507 6.9197 6.9197 7.6920 7.6920 9.4233 9.4233 9.9132 9.9132 10.5667 10.5667 10.7502 10.7502 10.9531 10.9531 11.6328 11.6328 11.7474 11.7474 11.7945 11.7945 11.8726 11.8726 11.9782 11.9782 12.3444 12.3444 12.6517 12.6517 12.8438 12.8438 12.9244 12.9244 13.5391 13.5391 13.7913 13.7913 16.2300 16.2300 19.7723 19.7723 20.7491 20.7491 k = 0.6061-0.0175 0.3773 ( 1781 PWs) bands (ev): 3.2709 3.2709 6.9759 6.9759 7.6298 7.6298 9.4377 9.4377 9.8843 9.8843 10.5695 10.5695 10.7564 10.7564 10.9334 10.9334 11.6329 11.6329 11.7437 11.7437 11.7778 11.7778 11.8712 11.8712 11.9765 11.9765 12.3494 12.3494 12.6429 12.6429 12.8435 12.8435 12.9240 12.9240 13.5202 13.5202 13.7439 13.7439 16.2240 16.2240 19.6367 19.6367 20.9204 20.9204 k = 0.6098-0.0284 0.3835 ( 1782 PWs) bands (ev): 3.2892 3.2892 7.0247 7.0247 7.5792 7.5792 9.4520 9.4520 9.8572 9.8572 10.5726 10.5726 10.7607 10.7607 10.9151 10.9151 11.6315 11.6315 11.7377 11.7377 11.7617 11.7617 11.8719 11.8719 11.9763 11.9763 12.3552 12.3552 12.6334 12.6334 12.8425 12.8425 12.9232 12.9232 13.5052 13.5052 13.7010 13.7010 16.2184 16.2184 19.4982 19.4982 21.0904 21.0904 k = 0.6136-0.0394 0.3897 ( 1782 PWs) bands (ev): 3.3051 3.3051 7.0605 7.0605 7.5462 7.5462 9.4662 9.4662 9.8323 9.8323 10.5757 10.5757 10.7627 10.7627 10.8982 10.8982 11.6284 11.6284 11.7255 11.7255 11.7512 11.7512 11.8742 11.8742 11.9775 11.9775 12.3618 12.3618 12.6234 12.6234 12.8410 12.8410 12.9221 12.9221 13.4939 13.4939 13.6625 13.6625 16.2132 16.2132 19.3599 19.3599 21.2506 21.2506 k = 0.6174-0.0503 0.3959 ( 1782 PWs) bands (ev): 3.3184 3.3184 7.0773 7.0773 7.5376 7.5376 9.4804 9.4804 9.8096 9.8096 10.5789 10.5789 10.7621 10.7621 10.8832 10.8832 11.6232 11.6232 11.7076 11.7076 11.7462 11.7462 11.8776 11.8776 11.9800 11.9800 12.3695 12.3695 12.6132 12.6132 12.8390 12.8390 12.9209 12.9209 13.4855 13.4855 13.6286 13.6286 16.2083 16.2083 19.2233 19.2233 21.3936 21.3936 k = 0.6212-0.0612 0.4021 ( 1780 PWs) bands (ev): 3.3285 3.3285 7.0727 7.0727 7.5559 7.5559 9.4944 9.4944 9.7895 9.7895 10.5823 10.5823 10.7585 10.7585 10.8703 10.8703 11.6145 11.6145 11.6891 11.6891 11.7435 11.7435 11.8816 11.8816 11.9840 11.9840 12.3786 12.3786 12.6029 12.6029 12.8369 12.8369 12.9199 12.9199 13.4799 13.4799 13.5991 13.5991 16.2038 16.2038 19.0893 19.0893 21.5136 21.5136 k = 0.6250-0.0722 0.4082 ( 1780 PWs) bands (ev): 3.3353 3.3353 7.0510 7.0510 7.5971 7.5971 9.5082 9.5082 9.7720 9.7720 10.5856 10.5856 10.7519 10.7519 10.8593 10.8593 11.6008 11.6008 11.6733 11.6733 11.7417 11.7417 11.8861 11.8861 11.9891 11.9891 12.3892 12.3892 12.5927 12.5927 12.8349 12.8349 12.9191 12.9191 13.4764 13.4764 13.5737 13.5737 16.1995 16.1995 18.9581 18.9581 21.6071 21.6071 k = 0.6250-0.0722 0.4082 ( 1780 PWs) bands (ev): 3.3353 3.3353 7.0510 7.0510 7.5971 7.5971 9.5082 9.5082 9.7720 9.7720 10.5856 10.5856 10.7519 10.7519 10.8593 10.8593 11.6008 11.6008 11.6733 11.6733 11.7417 11.7417 11.8861 11.8861 11.9891 11.9891 12.3892 12.3892 12.5927 12.5927 12.8349 12.8349 12.9191 12.9191 13.4764 13.4764 13.5737 13.5737 16.1995 16.1995 18.9581 18.9581 21.6071 21.6071 k = 0.6184-0.0684 0.4190 ( 1785 PWs) bands (ev): 3.3357 3.3357 7.0524 7.0524 7.5980 7.5980 9.4918 9.4918 9.7845 9.7845 10.5859 10.5859 10.7515 10.7515 10.8587 10.8587 11.5964 11.5964 11.6723 11.6723 11.7468 11.7468 11.8857 11.8857 11.9902 11.9902 12.3895 12.3895 12.5920 12.5920 12.8316 12.8316 12.9214 12.9214 13.4762 13.4762 13.5719 13.5719 16.2097 16.2097 18.9593 18.9593 21.5279 21.5279 k = 0.6118-0.0646 0.4297 ( 1785 PWs) bands (ev): 3.3369 3.3369 7.0564 7.0564 7.6005 7.6005 9.4494 9.4494 9.8153 9.8153 10.5872 10.5872 10.7504 10.7504 10.8571 10.8571 11.5848 11.5848 11.6707 11.6707 11.7600 11.7600 11.8846 11.8846 11.9935 11.9935 12.3905 12.3905 12.5900 12.5900 12.8229 12.8229 12.9275 12.9275 13.4757 13.4757 13.5668 13.5668 16.2402 16.2402 18.9629 18.9629 21.3735 21.3735 k = 0.6053-0.0608 0.4405 ( 1779 PWs) bands (ev): 3.3389 3.3389 7.0631 7.0631 7.6047 7.6047 9.3915 9.3915 9.8540 9.8540 10.5894 10.5894 10.7486 10.7486 10.8545 10.8545 11.5687 11.5687 11.6700 11.6700 11.7768 11.7768 11.8830 11.8830 11.9989 11.9989 12.3922 12.3922 12.5868 12.5868 12.8105 12.8105 12.9358 12.9358 13.4750 13.4750 13.5590 13.5590 16.2904 16.2904 18.9690 18.9690 21.2016 21.2016 k = 0.5987-0.0570 0.4512 ( 1785 PWs) bands (ev): 3.3417 3.3417 7.0725 7.0725 7.6105 7.6105 9.3243 9.3243 9.8945 9.8945 10.5923 10.5923 10.7460 10.7460 10.8507 10.8507 11.5503 11.5503 11.6701 11.6701 11.7944 11.7944 11.8814 11.8814 12.0060 12.0060 12.3946 12.3946 12.5824 12.5824 12.7954 12.7954 12.9450 12.9450 13.4738 13.4738 13.5486 13.5486 16.3593 16.3593 18.9776 18.9776 21.0255 21.0255 k = 0.5921-0.0532 0.4620 ( 1785 PWs) bands (ev): 3.3451 3.3451 7.0846 7.0846 7.6178 7.6178 9.2510 9.2510 9.9342 9.9342 10.5960 10.5960 10.7428 10.7428 10.8461 10.8461 11.5317 11.5317 11.6711 11.6711 11.8109 11.8109 11.8803 11.8803 12.0148 12.0148 12.3976 12.3976 12.5768 12.5768 12.7784 12.7784 12.9543 12.9543 13.4725 13.4725 13.5365 13.5365 16.4457 16.4457 18.9887 18.9887 20.8488 20.8488 k = 0.5855-0.0494 0.4727 ( 1787 PWs) bands (ev): 3.3493 3.3493 7.0992 7.0992 7.6264 7.6264 9.1734 9.1734 9.9718 9.9718 10.6005 10.6005 10.7389 10.7389 10.8406 10.8406 11.5138 11.5138 11.6728 11.6728 11.8246 11.8246 11.8807 11.8807 12.0249 12.0249 12.4013 12.4013 12.5701 12.5701 12.7602 12.7602 12.9634 12.9634 13.4707 13.4707 13.5234 13.5234 16.5484 16.5484 19.0026 19.0026 20.6732 20.6732 k = 0.5789-0.0456 0.4835 ( 1787 PWs) bands (ev): 3.3540 3.3540 7.1165 7.1165 7.6361 7.6361 9.0926 9.0926 10.0066 10.0066 10.6057 10.6057 10.7343 10.7343 10.8345 10.8345 11.4973 11.4973 11.6750 11.6750 11.8341 11.8341 11.8839 11.8839 12.0362 12.0362 12.4056 12.4056 12.5626 12.5626 12.7410 12.7410 12.9721 12.9721 13.4685 13.4685 13.5100 13.5100 16.6658 16.6658 19.0192 19.0192 20.4993 20.4993 k = 0.5724-0.0418 0.4942 ( 1787 PWs) bands (ev): 3.3592 3.3592 7.1364 7.1364 7.6465 7.6465 9.0098 9.0098 10.0383 10.0383 10.6117 10.6117 10.7293 10.7293 10.8277 10.8277 11.4827 11.4827 11.6776 11.6776 11.8388 11.8388 11.8904 11.8904 12.0483 12.0483 12.4104 12.4104 12.5542 12.5542 12.7210 12.7210 12.9802 12.9802 13.4659 13.4659 13.4970 13.4970 16.7966 16.7966 19.0389 19.0389 20.3278 20.3278 k = 0.5658-0.0380 0.5049 ( 1779 PWs) bands (ev): 3.3649 3.3649 7.1588 7.1588 7.6574 7.6574 8.9260 8.9260 10.0669 10.0669 10.6182 10.6182 10.7238 10.7238 10.8206 10.8206 11.4702 11.4702 11.6805 11.6805 11.8399 11.8399 11.8992 11.8992 12.0610 12.0610 12.4159 12.4159 12.5454 12.5454 12.7005 12.7005 12.9878 12.9878 13.4629 13.4629 13.4850 13.4850 16.9391 16.9391 19.0619 19.0619 20.1589 20.1589 k = 0.5592-0.0342 0.5157 ( 1779 PWs) bands (ev): 3.3708 3.3708 7.1836 7.1836 7.6682 7.6682 8.8422 8.8422 10.0921 10.0921 10.6250 10.6250 10.7181 10.7181 10.8133 10.8133 11.4598 11.4598 11.6836 11.6836 11.8387 11.8387 11.9085 11.9085 12.0738 12.0738 12.4218 12.4218 12.5361 12.5361 12.6795 12.6795 12.9946 12.9946 13.4588 13.4588 13.4747 13.4747 17.0919 17.0919 19.0885 19.0885 19.9930 19.9930 k = 0.5526-0.0304 0.5264 ( 1785 PWs) bands (ev): 3.3769 3.3769 7.2108 7.2108 7.6781 7.6781 8.7599 8.7599 10.1139 10.1139 10.6322 10.6322 10.7123 10.7123 10.8060 10.8060 11.4513 11.4513 11.6868 11.6868 11.8366 11.8366 11.9175 11.9175 12.0863 12.0863 12.4281 12.4281 12.5267 12.5267 12.6582 12.6582 13.0007 13.0007 13.4534 13.4534 13.4668 13.4668 17.2532 17.2532 19.1189 19.1189 19.8306 19.8306 k = 0.5461-0.0266 0.5372 ( 1781 PWs) bands (ev): 3.3831 3.3831 7.2403 7.2403 7.6863 7.6863 8.6806 8.6806 10.1326 10.1326 10.6397 10.6397 10.7066 10.7066 10.7988 10.7988 11.4448 11.4448 11.6901 11.6901 11.8340 11.8340 11.9258 11.9258 12.0986 12.0986 12.4349 12.4349 12.5176 12.5176 12.6368 12.6368 13.0062 13.0062 13.4470 13.4470 13.4614 13.4614 17.4215 17.4215 19.1535 19.1535 19.6723 19.6723 k = 0.5395-0.0228 0.5479 ( 1779 PWs) bands (ev): 3.3890 3.3890 7.2719 7.2719 7.6916 7.6916 8.6061 8.6061 10.1481 10.1481 10.6471 10.6471 10.7013 10.7013 10.7920 10.7920 11.4400 11.4400 11.6933 11.6933 11.8314 11.8314 11.9332 11.9332 12.1102 12.1102 12.4420 12.4420 12.5092 12.5092 12.6156 12.6156 13.0109 13.0109 13.4408 13.4408 13.4572 13.4572 17.5947 17.5947 19.1915 19.1915 19.5202 19.5202 k = 0.5329-0.0190 0.5587 ( 1775 PWs) bands (ev): 3.3947 3.3947 7.3053 7.3053 7.6926 7.6926 8.5386 8.5386 10.1605 10.1605 10.6543 10.6543 10.6967 10.6967 10.7859 10.7859 11.4366 11.4366 11.6964 11.6964 11.8288 11.8288 11.9396 11.9396 12.1208 12.1208 12.4494 12.4494 12.5018 12.5018 12.5946 12.5946 13.0150 13.0150 13.4356 13.4356 13.4535 13.4535 17.7703 17.7703 19.2241 19.2241 19.3847 19.3847 k = 0.5263-0.0152 0.5694 ( 1777 PWs) bands (ev): 3.3999 3.3999 7.3401 7.3401 7.6878 7.6878 8.4804 8.4804 10.1701 10.1701 10.6610 10.6610 10.6924 10.6924 10.7803 10.7803 11.4344 11.4344 11.6991 11.6991 11.8264 11.8264 11.9448 11.9448 12.1301 12.1301 12.4568 12.4568 12.4961 12.4961 12.5741 12.5741 13.0183 13.0183 13.4317 13.4317 13.4502 13.4502 17.9452 17.9452 19.1775 19.1775 19.3422 19.3422 k = 0.5197-0.0114 0.5801 ( 1778 PWs) bands (ev): 3.4043 3.4043 7.3754 7.3754 7.6764 7.6764 8.4338 8.4338 10.1771 10.1771 10.6671 10.6671 10.6889 10.6889 10.7758 10.7758 11.4331 11.4331 11.7015 11.7015 11.8243 11.8243 11.9489 11.9489 12.1377 12.1377 12.4642 12.4642 12.4925 12.4925 12.5546 12.5546 13.0208 13.0208 13.4290 13.4290 13.4472 13.4472 18.1150 18.1150 19.0517 19.0517 19.3964 19.3964 k = 0.5132-0.0076 0.5909 ( 1776 PWs) bands (ev): 3.4077 3.4077 7.4094 7.4094 7.6591 7.6591 8.4006 8.4006 10.1817 10.1817 10.6723 10.6723 10.6859 10.6859 10.7724 10.7724 11.4325 11.4325 11.7033 11.7033 11.8227 11.8227 11.9519 11.9519 12.1435 12.1435 12.4713 12.4713 12.4914 12.4914 12.5366 12.5366 13.0226 13.0226 13.4277 13.4277 13.4448 13.4448 18.2728 18.2728 18.9223 18.9223 19.4778 19.4778 k = 0.5066-0.0038 0.6016 ( 1772 PWs) bands (ev): 3.4100 3.4100 7.4374 7.4374 7.6401 7.6401 8.3812 8.3812 10.1842 10.1842 10.6765 10.6765 10.6833 10.6833 10.7704 10.7704 11.4323 11.4323 11.7046 11.7046 11.8217 11.8217 11.9537 11.9537 12.1471 12.1471 12.4783 12.4783 12.4913 12.4913 12.5220 12.5220 13.0237 13.0237 13.4273 13.4273 13.4429 13.4429 18.4039 18.4039 18.8099 18.8099 19.5787 19.5787 k = 0.5000 0.0000 0.6124 ( 1768 PWs) bands (ev): 3.4108 3.4108 7.4496 7.4496 7.6305 7.6305 8.3751 8.3751 10.1850 10.1850 10.6787 10.6787 10.6816 10.6816 10.7698 10.7698 11.4324 11.4324 11.7050 11.7050 11.8213 11.8213 11.9543 11.9543 12.1483 12.1483 12.4849 12.4849 12.4881 12.4881 12.5161 12.5161 13.0242 13.0242 13.4273 13.4273 13.4422 13.4422 18.4639 18.4639 18.7566 18.7566 19.6714 19.6714 k = 0.5000 0.0000 0.6124 ( 1768 PWs) bands (ev): 3.4108 3.4108 7.4496 7.4496 7.6305 7.6305 8.3751 8.3751 10.1850 10.1850 10.6787 10.6787 10.6816 10.6816 10.7698 10.7698 11.4324 11.4324 11.7050 11.7050 11.8213 11.8213 11.9543 11.9543 12.1483 12.1483 12.4849 12.4849 12.4881 12.4881 12.5161 12.5161 13.0242 13.0242 13.4273 13.4273 13.4422 13.4422 18.4639 18.4639 18.7566 18.7566 19.6714 19.6714 k = 0.5000 0.0076 0.6016 ( 1772 PWs) bands (ev): 3.4094 3.4094 7.4465 7.4465 7.6273 7.6273 8.3843 8.3843 10.1839 10.1839 10.6755 10.6755 10.6843 10.6843 10.7714 10.7714 11.4326 11.4326 11.7055 11.7055 11.8218 11.8218 11.9543 11.9543 12.1459 12.1459 12.4749 12.4749 12.4939 12.4939 12.5237 12.5237 13.0238 13.0238 13.4283 13.4283 13.4431 13.4431 18.4539 18.4539 18.7488 18.7488 19.6820 19.6820 k = 0.5000 0.0152 0.5909 ( 1780 PWs) bands (ev): 3.4052 3.4052 7.4356 7.4356 7.6207 7.6207 8.4107 8.4107 10.1806 10.1806 10.6710 10.6710 10.6872 10.6872 10.7762 10.7762 11.4333 11.4333 11.7072 11.7072 11.8233 11.8233 11.9544 11.9544 12.1390 12.1390 12.4631 12.4631 12.4981 12.4981 12.5414 12.5414 13.0227 13.0227 13.4312 13.4312 13.4461 13.4461 18.4249 18.4249 18.7262 18.7262 19.7128 19.7128 k = 0.5000 0.0228 0.5801 ( 1782 PWs) bands (ev): 3.3984 3.3984 7.4129 7.4129 7.6175 7.6175 8.4511 8.4511 10.1754 10.1754 10.6664 10.6664 10.6892 10.6892 10.7843 10.7843 11.4347 11.4347 11.7099 11.7099 11.8257 11.8257 11.9546 11.9546 12.1282 12.1282 12.4527 12.4527 12.5025 12.5025 12.5635 12.5635 13.0211 13.0211 13.4361 13.4361 13.4515 13.4515 18.3799 18.3799 18.6910 18.6910 19.7618 19.7618 k = 0.5000 0.0304 0.5694 ( 1782 PWs) bands (ev): 3.3888 3.3888 7.3765 7.3765 7.6232 7.6232 8.5018 8.5018 10.1688 10.1688 10.6619 10.6619 10.6899 10.6899 10.7955 10.7955 11.4366 11.4366 11.7138 11.7138 11.8291 11.8291 11.9550 11.9550 12.1143 12.1143 12.4437 12.4437 12.5081 12.5081 12.5882 12.5882 13.0188 13.0188 13.4429 13.4429 13.4595 13.4595 18.3226 18.3226 18.6462 18.6462 19.8259 19.8259 k = 0.5000 0.0380 0.5587 ( 1780 PWs) bands (ev): 3.3768 3.3768 7.3283 7.3283 7.6389 7.6389 8.5595 8.5595 10.1611 10.1611 10.6575 10.6575 10.6895 10.6895 10.8096 10.8096 11.4391 11.4391 11.7187 11.7187 11.8333 11.8333 11.9555 11.9555 12.0981 12.0981 12.4359 12.4359 12.5149 12.5149 12.6143 12.6143 13.0159 13.0159 13.4518 13.4518 13.4705 13.4705 18.2562 18.2562 18.5945 18.5945 19.9020 19.9020 k = 0.5000 0.0456 0.5479 ( 1778 PWs) bands (ev): 3.3625 3.3625 7.2716 7.2716 7.6634 7.6634 8.6214 8.6214 10.1527 10.1527 10.6531 10.6531 10.6881 10.6881 10.8262 10.8262 11.4421 11.4421 11.7245 11.7245 11.8382 11.8382 11.9563 11.9563 12.0804 12.0804 12.4290 12.4290 12.5228 12.5228 12.6410 12.6410 13.0123 13.0123 13.4629 13.4629 13.4848 13.4848 18.1836 18.1836 18.5381 18.5381 19.9875 19.9875 k = 0.5000 0.0532 0.5372 ( 1786 PWs) bands (ev): 3.3459 3.3459 7.2096 7.2096 7.6950 7.6950 8.6853 8.6853 10.1443 10.1443 10.6485 10.6485 10.6856 10.6856 10.8448 10.8448 11.4455 11.4455 11.7311 11.7311 11.8436 11.8436 11.9573 11.9573 12.0619 12.0619 12.4227 12.4227 12.5316 12.5316 12.6676 12.6676 13.0080 13.0080 13.4765 13.4765 13.5025 13.5025 18.1069 18.1069 18.4789 18.4789 20.0802 20.0802 k = 0.5000 0.0608 0.5264 ( 1786 PWs) bands (ev): 3.3274 3.3274 7.1445 7.1445 7.7328 7.7328 8.7497 8.7497 10.1364 10.1364 10.6440 10.6440 10.6824 10.6824 10.8653 10.8653 11.4495 11.4495 11.7386 11.7386 11.8495 11.8495 11.9588 11.9588 12.0434 12.0434 12.4167 12.4167 12.5413 12.5413 12.6935 12.6935 13.0031 13.0031 13.4931 13.4931 13.5241 13.5241 18.0276 18.0276 18.4180 18.4180 20.1787 20.1787 k = 0.5000 0.0684 0.5157 ( 1788 PWs) bands (ev): 3.3072 3.3072 7.0777 7.0777 7.7757 7.7757 8.8130 8.8130 10.1295 10.1295 10.6394 10.6394 10.6787 10.6787 10.8874 10.8874 11.4539 11.4539 11.7469 11.7469 11.8555 11.8555 11.9606 11.9606 12.0253 12.0253 12.4109 12.4109 12.5515 12.5515 12.7181 12.7181 12.9975 12.9975 13.5131 13.5131 13.5498 13.5498 17.9468 17.9468 18.3564 18.3564 20.2817 20.2817 k = 0.5000 0.0760 0.5049 ( 1788 PWs) bands (ev): 3.2854 3.2854 7.0103 7.0103 7.8233 7.8233 8.8742 8.8742 10.1243 10.1243 10.6347 10.6347 10.6743 10.6743 10.9108 10.9108 11.4588 11.4588 11.7559 11.7559 11.8612 11.8612 11.9628 11.9628 12.0085 12.0085 12.4051 12.4051 12.5620 12.5620 12.7407 12.7407 12.9912 12.9912 13.5372 13.5372 13.5799 13.5799 17.8655 17.8655 18.2949 18.2949 20.3884 20.3884 k = 0.5000 0.0836 0.4942 ( 1786 PWs) bands (ev): 3.2624 3.2624 6.9429 6.9429 7.8749 7.8749 8.9321 8.9321 10.1214 10.1214 10.6299 10.6299 10.6696 10.6696 10.9354 10.9354 11.4640 11.4640 11.7655 11.7655 11.8661 11.8661 11.9653 11.9653 11.9939 11.9939 12.3992 12.3992 12.5726 12.5726 12.7611 12.7611 12.9844 12.9844 13.5656 13.5656 13.6146 13.6146 17.7842 17.7842 18.2339 18.2339 20.4978 20.4978 k = 0.5000 0.0912 0.4835 ( 1788 PWs) bands (ev): 3.2382 3.2382 6.8761 6.8761 7.9300 7.9300 8.9860 8.9860 10.1211 10.1211 10.6250 10.6250 10.6645 10.6645 10.9610 10.9610 11.4696 11.4696 11.7757 11.7757 11.8696 11.8696 11.9668 11.9668 11.9835 11.9835 12.3931 12.3931 12.5830 12.5830 12.7787 12.7787 12.9769 12.9769 13.5987 13.5987 13.6544 13.6544 17.7033 17.7033 18.1737 18.1737 20.6083 20.6083 k = 0.5000 0.0988 0.4727 ( 1790 PWs) bands (ev): 3.2132 3.2132 6.8104 6.8104 7.9881 7.9881 9.0350 9.0350 10.1239 10.1239 10.6199 10.6199 10.6592 10.6592 10.9874 10.9874 11.4753 11.4753 11.7863 11.7863 11.8709 11.8709 11.9643 11.9643 11.9812 11.9812 12.3868 12.3868 12.5930 12.5930 12.7933 12.7933 12.9687 12.9687 13.6367 13.6367 13.6995 13.6995 17.6234 17.6234 18.1147 18.1147 20.7173 20.7173 k = 0.5000 0.1064 0.4620 ( 1790 PWs) bands (ev): 3.1875 3.1875 6.7460 6.7460 8.0488 8.0488 9.0786 9.0786 10.1302 10.1302 10.6148 10.6148 10.6537 10.6537 11.0145 11.0145 11.4813 11.4813 11.7973 11.7973 11.8696 11.8696 11.9605 11.9605 11.9850 11.9850 12.3803 12.3803 12.6025 12.6025 12.8049 12.8049 12.9600 12.9600 13.6799 13.6799 13.7501 13.7501 17.5446 17.5446 18.0571 18.0571 20.8176 20.8176 k = 0.5000 0.1140 0.4512 ( 1786 PWs) bands (ev): 3.1615 3.1615 6.6832 6.6832 8.1115 8.1115 9.1164 9.1164 10.1401 10.1401 10.6096 10.6096 10.6481 10.6481 11.0421 11.0421 11.4874 11.4874 11.8085 11.8085 11.8659 11.8659 11.9593 11.9593 11.9912 11.9912 12.3734 12.3734 12.6112 12.6112 12.8134 12.8134 12.9507 12.9507 13.7283 13.7283 13.8065 13.8065 17.4673 17.4673 18.0009 18.0009 20.8870 20.8870 k = 0.5000 0.1215 0.4405 ( 1788 PWs) bands (ev): 3.1352 3.1352 6.6222 6.6222 8.1759 8.1759 9.1483 9.1483 10.1535 10.1535 10.6043 10.6043 10.6425 10.6425 11.0702 11.0702 11.4934 11.4934 11.8194 11.8194 11.8609 11.8609 11.9610 11.9610 11.9985 11.9985 12.3663 12.3663 12.6190 12.6190 12.8190 12.8190 12.9408 12.9408 13.7817 13.7817 13.8687 13.8687 17.3915 17.3915 17.9464 17.9464 20.8746 20.8746 k = 0.5000 0.1291 0.4297 ( 1788 PWs) bands (ev): 3.1089 3.1089 6.5631 6.5631 8.2415 8.2415 9.1743 9.1743 10.1702 10.1702 10.5989 10.5989 10.6369 10.6369 11.0984 11.0984 11.4992 11.4992 11.8288 11.8288 11.8573 11.8573 11.9648 11.9648 12.0069 12.0069 12.3588 12.3588 12.6259 12.6259 12.8218 12.8218 12.9303 12.9303 13.8401 13.8401 13.9368 13.9368 17.3175 17.3175 17.8935 17.8935 20.7576 20.7576 k = 0.5000 0.1367 0.4190 ( 1788 PWs) bands (ev): 3.0827 3.0827 6.5062 6.5062 8.3077 8.3077 9.1948 9.1948 10.1899 10.1899 10.5936 10.5936 10.6315 10.6315 11.1268 11.1268 11.5046 11.5046 11.8332 11.8332 11.8592 11.8592 11.9702 11.9702 12.0160 12.0160 12.3510 12.3510 12.6318 12.6318 12.8221 12.8221 12.9194 12.9194 13.9034 13.9034 14.0110 14.0110 17.2454 17.2454 17.8425 17.8425 20.5762 20.5762 k = 0.5000 0.1443 0.4082 ( 1800 PWs) bands (ev): 3.0569 3.0569 6.4515 6.4515 8.3742 8.3742 9.2101 9.2101 10.2118 10.2118 10.5881 10.5881 10.6260 10.6260 11.1549 11.1549 11.5093 11.5093 11.8318 11.8318 11.8680 11.8680 11.9766 11.9766 12.0255 12.0255 12.3426 12.3426 12.6365 12.6365 12.8202 12.8202 12.9079 12.9079 13.9714 13.9714 14.0911 14.0911 17.1753 17.1753 17.7932 17.7932 20.3665 20.3665 k = 0.5000 0.1519 0.3975 ( 1788 PWs) bands (ev): 3.0316 3.0316 6.3991 6.3991 8.4406 8.4406 9.2211 9.2211 10.2356 10.2356 10.5829 10.5829 10.6210 10.6210 11.1829 11.1829 11.5136 11.5136 11.8293 11.8293 11.8802 11.8802 11.9840 11.9840 12.0358 12.0358 12.3342 12.3342 12.6404 12.6404 12.8164 12.8164 12.8962 12.8962 14.0441 14.0441 14.1771 14.1771 17.1074 17.1074 17.7457 17.7457 20.1453 20.1453 k = 0.5000 0.1595 0.3868 ( 1788 PWs) bands (ev): 3.0068 3.0068 6.3492 6.3492 8.5061 8.5061 9.2282 9.2282 10.2604 10.2604 10.5778 10.5778 10.6162 10.6162 11.2101 11.2101 11.5170 11.5170 11.8275 11.8275 11.8936 11.8936 11.9918 11.9918 12.0463 12.0463 12.3253 12.3253 12.6432 12.6432 12.8109 12.8109 12.8840 12.8840 14.1211 14.1211 14.2686 14.2686 17.0416 17.0416 17.7001 17.7001 19.9200 19.9200 k = 0.5000 0.1671 0.3760 ( 1788 PWs) bands (ev): 2.9829 2.9829 6.3018 6.3018 8.5706 8.5706 9.2322 9.2322 10.2856 10.2856 10.5729 10.5729 10.6116 10.6116 11.2366 11.2366 11.5195 11.5195 11.8274 11.8274 11.9076 11.9076 12.0001 12.0001 12.0570 12.0570 12.3161 12.3161 12.6449 12.6449 12.8040 12.8040 12.8714 12.8714 14.2024 14.2024 14.3655 14.3655 16.9781 16.9781 17.6564 17.6564 19.6943 19.6943 k = 0.5000 0.1747 0.3653 ( 1788 PWs) bands (ev): 2.9598 2.9598 6.2569 6.2569 8.6334 8.6334 9.2336 9.2336 10.3108 10.3108 10.5681 10.5681 10.6074 10.6074 11.2621 11.2621 11.5211 11.5211 11.8292 11.8292 11.9222 11.9222 12.0087 12.0087 12.0680 12.0680 12.3065 12.3065 12.6457 12.6457 12.7960 12.7960 12.8586 12.8586 14.2880 14.2880 14.4674 14.4674 16.9168 16.9168 17.6144 17.6144 19.4703 19.4703 k = 0.5000 0.1823 0.3545 ( 1780 PWs) bands (ev): 2.9378 2.9378 6.2147 6.2147 8.6942 8.6942 9.2332 9.2332 10.3354 10.3354 10.5637 10.5637 10.6037 10.6037 11.2863 11.2863 11.5218 11.5218 11.8332 11.8332 11.9372 11.9372 12.0175 12.0175 12.0791 12.0791 12.2966 12.2966 12.6455 12.6455 12.7873 12.7873 12.8458 12.8458 14.3778 14.3778 14.5739 14.5739 16.8579 16.8579 17.5742 17.5742 19.2491 19.2491 k = 0.5000 0.1899 0.3438 ( 1782 PWs) bands (ev): 2.9168 2.9168 6.1753 6.1753 8.7525 8.7525 9.2313 9.2313 10.3590 10.3590 10.5594 10.5594 10.6003 10.6003 11.3089 11.3089 11.5218 11.5218 11.8392 11.8392 11.9523 11.9523 12.0262 12.0262 12.0903 12.0903 12.2864 12.2864 12.6443 12.6443 12.7779 12.7779 12.8328 12.8328 14.4716 14.4716 14.6843 14.6843 16.8012 16.8012 17.5357 17.5357 19.0320 19.0320 k = 0.5000 0.1975 0.3330 ( 1784 PWs) bands (ev): 2.8971 2.8971 6.1385 6.1385 8.8077 8.8077 9.2286 9.2286 10.3813 10.3813 10.5555 10.5555 10.5974 10.5974 11.3296 11.3296 11.5212 11.5212 11.8470 11.8470 11.9675 11.9675 12.0349 12.0349 12.1016 12.1016 12.2758 12.2758 12.6422 12.6422 12.7683 12.7683 12.8200 12.8200 14.5693 14.5693 14.7981 14.7981 16.7466 16.7466 17.4989 17.4989 18.8195 18.8195 k = 0.5000 0.2051 0.3223 ( 1786 PWs) bands (ev): 2.8786 2.8786 6.1046 6.1046 8.8596 8.8596 9.2253 9.2253 10.4020 10.4020 10.5519 10.5519 10.5949 10.5949 11.3484 11.3484 11.5203 11.5203 11.8565 11.8565 11.9827 11.9827 12.0433 12.0433 12.1129 12.1129 12.2650 12.2650 12.6391 12.6391 12.7585 12.7585 12.8073 12.8073 14.6709 14.6709 14.9145 14.9145 16.6940 16.6940 17.4635 17.4635 18.6127 18.6127 k = 0.5000 0.2127 0.3116 ( 1786 PWs) bands (ev): 2.8615 2.8615 6.0735 6.0735 8.9076 8.9076 9.2221 9.2221 10.4209 10.4209 10.5487 10.5487 10.5930 10.5930 11.3651 11.3651 11.5194 11.5194 11.8675 11.8675 11.9976 11.9976 12.0514 12.0514 12.1242 12.1242 12.2541 12.2541 12.6351 12.6351 12.7489 12.7489 12.7951 12.7951 14.7763 14.7763 15.0327 15.0327 16.6431 16.6431 17.4295 17.4295 18.4124 18.4124 k = 0.5000 0.2203 0.3008 ( 1786 PWs) bands (ev): 2.8459 2.8459 6.0453 6.0453 8.9513 8.9513 9.2193 9.2193 10.4379 10.4379 10.5458 10.5458 10.5917 10.5917 11.3793 11.3793 11.5187 11.5187 11.8796 11.8796 12.0119 12.0119 12.0591 12.0591 12.1354 12.1354 12.2431 12.2431 12.6303 12.6303 12.7398 12.7398 12.7834 12.7834 14.8852 14.8852 15.1513 15.1513 16.5934 16.5934 17.3968 17.3968 18.2197 18.2197 k = 0.5000 0.2279 0.2901 ( 1788 PWs) bands (ev): 2.8317 2.8317 6.0199 6.0199 8.9902 8.9902 9.2172 9.2172 10.4529 10.4529 10.5432 10.5432 10.5908 10.5908 11.3912 11.3912 11.5184 11.5184 11.8926 11.8926 12.0254 12.0254 12.0663 12.0663 12.1462 12.1462 12.2322 12.2322 12.6246 12.6246 12.7312 12.7312 12.7726 12.7726 14.9973 14.9973 15.2692 15.2692 16.5442 16.5442 17.3652 17.3652 18.0359 18.0359 k = 0.5000 0.2355 0.2793 ( 1786 PWs) bands (ev): 2.8191 2.8191 5.9975 5.9975 9.0238 9.0238 9.2163 9.2163 10.4657 10.4657 10.5412 10.5412 10.5906 10.5906 11.4007 11.4007 11.5187 11.5187 11.9062 11.9062 12.0375 12.0375 12.0730 12.0730 12.1567 12.1567 12.2217 12.2217 12.6184 12.6184 12.7233 12.7233 12.7627 12.7627 15.1123 15.1123 15.3847 15.3847 16.4945 16.4945 17.3347 17.3347 17.8628 17.8628 k = 0.5000 0.2431 0.2686 ( 1788 PWs) bands (ev): 2.8081 2.8081 5.9781 5.9781 9.0517 9.0517 9.2169 9.2169 10.4764 10.4764 10.5394 10.5394 10.5908 10.5908 11.4079 11.4079 11.5195 11.5195 11.9201 11.9201 12.0478 12.0478 12.0791 12.0791 12.1663 12.1663 12.2120 12.2120 12.6117 12.6117 12.7161 12.7161 12.7540 12.7540 15.2296 15.2296 15.4957 15.4957 16.4430 16.4430 17.3053 17.3053 17.7024 17.7024 k = 0.5000 0.2507 0.2578 ( 1790 PWs) bands (ev): 2.7987 2.7987 5.9616 5.9616 9.0737 9.0737 9.2192 9.2192 10.4851 10.4851 10.5380 10.5380 10.5914 10.5914 11.4131 11.4131 11.5208 11.5208 11.9337 11.9337 12.0560 12.0560 12.0846 12.0846 12.1747 12.1747 12.2035 12.2035 12.6050 12.6050 12.7097 12.7097 12.7465 12.7465 15.3482 15.3482 15.5999 15.5999 16.3877 16.3877 17.2773 17.2773 17.5577 17.5577 k = 0.5000 0.2583 0.2471 ( 1788 PWs) bands (ev): 2.7909 2.7909 5.9480 5.9480 9.0899 9.0899 9.2229 9.2229 10.4918 10.4918 10.5370 10.5370 10.5922 10.5922 11.4168 11.4168 11.5223 11.5223 11.9466 11.9466 12.0620 12.0620 12.0892 12.0892 12.1808 12.1808 12.1977 12.1977 12.5988 12.5988 12.7042 12.7042 12.7406 12.7406 15.4666 15.4666 15.6945 15.6945 16.3267 16.3267 17.2512 17.2512 17.4322 17.4322 k = 0.5000 0.2659 0.2364 ( 1788 PWs) bands (ev): 2.7849 2.7849 5.9375 5.9375 9.1010 9.1010 9.2274 9.2274 10.4967 10.4967 10.5363 10.5363 10.5932 10.5932 11.4191 11.4191 11.5238 11.5238 11.9582 11.9582 12.0659 12.0659 12.0925 12.0925 12.1822 12.1822 12.1970 12.1970 12.5933 12.5933 12.6997 12.6997 12.7360 12.7360 15.5821 15.5821 15.7771 15.7771 16.2580 16.2580 17.2281 17.2281 17.3296 17.3296 k = 0.5000 0.2735 0.2256 ( 1790 PWs) bands (ev): 2.7806 2.7806 5.9300 5.9300 9.1080 9.1080 9.2316 9.2316 10.4999 10.4999 10.5358 10.5358 10.5939 10.5939 11.4206 11.4206 11.5250 11.5250 11.9675 11.9675 12.0680 12.0680 12.0946 12.0946 12.1804 12.1804 12.1997 12.1997 12.5890 12.5890 12.6963 12.6963 12.7328 12.7328 15.6883 15.6883 15.8470 15.8470 16.1808 16.1808 17.2091 17.2091 17.2540 17.2540 k = 0.5000 0.2811 0.2149 ( 1792 PWs) bands (ev): 2.7780 2.7780 5.9254 5.9254 9.1117 9.1117 9.2345 9.2345 10.5018 10.5018 10.5356 10.5356 10.5945 10.5945 11.4213 11.4213 11.5258 11.5258 11.9737 11.9737 12.0688 12.0688 12.0956 12.0956 12.1788 12.1788 12.2021 12.2021 12.5863 12.5863 12.6943 12.6943 12.7309 12.7309 15.7695 15.7695 15.9105 15.9105 16.0985 16.0985 17.1943 17.1943 17.2101 17.2101 k = 0.5000 0.2887 0.2041 ( 1802 PWs) bands (ev): 2.7771 2.7771 5.9239 5.9239 9.1127 9.1127 9.2354 9.2354 10.5024 10.5024 10.5355 10.5355 10.5947 10.5947 11.4214 11.4214 11.5260 11.5260 11.9758 11.9758 12.0689 12.0689 12.0958 12.0958 12.1781 12.1781 12.2029 12.2029 12.5854 12.5854 12.6934 12.6934 12.7302 12.7302 15.8000 15.8000 15.9586 15.9586 16.0411 16.0411 17.1851 17.1851 17.1992 17.1992 k = 0.5000 0.2887 0.2041 ( 1802 PWs) bands (ev): 2.7771 2.7771 5.9239 5.9239 9.1127 9.1127 9.2354 9.2354 10.5024 10.5024 10.5355 10.5355 10.5947 10.5947 11.4214 11.4214 11.5260 11.5260 11.9758 11.9758 12.0689 12.0689 12.0958 12.0958 12.1781 12.1781 12.2029 12.2029 12.5854 12.5854 12.6934 12.6934 12.7302 12.7302 15.8000 15.8000 15.9586 15.9586 16.0411 16.0411 17.1851 17.1851 17.1992 17.1992 k = 0.4962 0.2865 0.2165 ( 1794 PWs) bands (ev): 2.7780 2.7780 5.9254 5.9254 9.1117 9.1117 9.2344 9.2344 10.5018 10.5018 10.5356 10.5356 10.5945 10.5945 11.4213 11.4213 11.5258 11.5258 11.9737 11.9737 12.0688 12.0688 12.0956 12.0956 12.1788 12.1788 12.2020 12.2020 12.5863 12.5863 12.6942 12.6942 12.7309 12.7309 15.7697 15.7697 15.9107 15.9107 16.0982 16.0982 17.1943 17.1943 17.2099 17.2099 k = 0.4924 0.2843 0.2289 ( 1792 PWs) bands (ev): 2.7805 2.7805 5.9299 5.9299 9.1080 9.1080 9.2316 9.2316 10.5000 10.5000 10.5358 10.5358 10.5939 10.5939 11.4206 11.4206 11.5250 11.5250 11.9675 11.9675 12.0680 12.0680 12.0945 12.0945 12.1804 12.1804 12.1996 12.1996 12.5890 12.5890 12.6963 12.6963 12.7328 12.7328 15.6886 15.6886 15.8480 15.8480 16.1799 16.1799 17.2109 17.2109 17.2520 17.2520 k = 0.4886 0.2821 0.2412 ( 1791 PWs) bands (ev): 2.7848 2.7848 5.9374 5.9374 9.1011 9.1011 9.2274 9.2274 10.4967 10.4967 10.5363 10.5363 10.5932 10.5932 11.4191 11.4191 11.5238 11.5238 11.9583 11.9583 12.0659 12.0659 12.0925 12.0925 12.1824 12.1824 12.1968 12.1968 12.5933 12.5933 12.6996 12.6996 12.7360 12.7360 15.5815 15.5815 15.7810 15.7810 16.2544 16.2544 17.2367 17.2367 17.3213 17.3213 k = 0.4848 0.2799 0.2536 ( 1791 PWs) bands (ev): 2.7909 2.7909 5.9479 5.9479 9.0900 9.0900 9.2230 9.2230 10.4918 10.4918 10.5370 10.5370 10.5923 10.5923 11.4168 11.4168 11.5223 11.5223 11.9468 11.9468 12.0621 12.0621 12.0891 12.0891 12.1816 12.1816 12.1969 12.1969 12.5988 12.5988 12.7040 12.7040 12.7405 12.7405 15.4637 15.4637 15.7045 15.7045 16.3159 16.3159 17.2759 17.2759 17.4109 17.4109 k = 0.4811 0.2777 0.2660 ( 1792 PWs) bands (ev): 2.7985 2.7985 5.9613 5.9613 9.0738 9.0738 9.2194 9.2194 10.4853 10.4853 10.5378 10.5378 10.5914 10.5914 11.4131 11.4131 11.5209 11.5209 11.9339 11.9339 12.0562 12.0562 12.0844 12.0844 12.1764 12.1764 12.2020 12.2020 12.6051 12.6051 12.7094 12.7094 12.7465 12.7465 15.3415 15.3415 15.6197 15.6197 16.3622 16.3622 17.3307 17.3307 17.5161 17.5161 k = 0.4773 0.2756 0.2784 ( 1785 PWs) bands (ev): 2.8079 2.8079 5.9778 5.9778 9.0517 9.0517 9.2174 9.2174 10.4767 10.4767 10.5390 10.5390 10.5911 10.5911 11.4077 11.4077 11.5200 11.5200 11.9203 11.9203 12.0481 12.0481 12.0787 12.0787 12.1688 12.1688 12.2097 12.2097 12.6122 12.6122 12.7154 12.7154 12.7541 12.7541 15.2175 15.2175 15.5288 15.5288 16.3933 16.3933 17.4017 17.4017 17.6331 17.6331 k = 0.4735 0.2734 0.2907 ( 1783 PWs) bands (ev): 2.8189 2.8189 5.9971 5.9971 9.0234 9.0234 9.2174 9.2174 10.4661 10.4661 10.5404 10.5404 10.5913 10.5913 11.4002 11.4002 11.5198 11.5198 11.9064 11.9064 12.0378 12.0378 12.0723 12.0723 12.1602 12.1602 12.2186 12.2186 12.6195 12.6195 12.7219 12.7219 12.7629 12.7629 15.0935 15.0935 15.4339 15.4339 16.4110 16.4110 17.4879 17.4879 17.7594 17.7594 k = 0.4697 0.2712 0.3031 ( 1784 PWs) bands (ev): 2.8314 2.8314 6.0194 6.0194 8.9891 8.9891 9.2192 9.2192 10.4533 10.4533 10.5417 10.5417 10.5922 10.5922 11.3901 11.3901 11.5205 11.5205 11.8925 11.8925 12.0258 12.0258 12.0652 12.0652 12.1509 12.1509 12.2279 12.2279 12.6269 12.6269 12.7288 12.7288 12.7730 12.7730 14.9706 14.9706 15.3367 15.3367 16.4181 16.4181 17.5875 17.5875 17.8930 17.8930 k = 0.4659 0.2690 0.3155 ( 1786 PWs) bands (ev): 2.8455 2.8455 6.0446 6.0446 8.9492 8.9492 9.2227 9.2227 10.4383 10.4383 10.5430 10.5430 10.5942 10.5942 11.3773 11.3773 11.5224 11.5224 11.8790 11.8790 12.0125 12.0125 12.0577 12.0577 12.1410 12.1410 12.2374 12.2374 12.6342 12.6342 12.7361 12.7361 12.7840 12.7840 14.8500 14.8500 15.2383 15.2383 16.4174 16.4174 17.6984 17.6984 18.0325 18.0325 k = 0.4621 0.2668 0.3278 ( 1782 PWs) bands (ev): 2.8611 2.8611 6.0727 6.0727 8.9039 8.9039 9.2277 9.2277 10.4211 10.4211 10.5443 10.5443 10.5973 10.5973 11.3619 11.3619 11.5256 11.5256 11.8661 11.8661 11.9984 11.9984 12.0497 12.0497 12.1307 12.1307 12.2468 12.2468 12.6414 12.6414 12.7436 12.7436 12.7958 12.7958 14.7323 14.7323 15.1397 15.1397 16.4112 16.4112 17.8188 17.8188 18.1771 18.1771 k = 0.4583 0.2646 0.3402 ( 1784 PWs) bands (ev): 2.8781 2.8781 6.1036 6.1036 8.8537 8.8537 9.2338 9.2338 10.4017 10.4017 10.5453 10.5453 10.6015 10.6015 11.3439 11.3439 11.5298 11.5298 11.8538 11.8538 11.9838 11.9838 12.0411 12.0411 12.1201 12.1201 12.2558 12.2558 12.6483 12.6483 12.7514 12.7514 12.8081 12.8081 14.6182 14.6182 15.0415 15.0415 16.4015 16.4015 17.9473 17.9473 18.3260 18.3260 k = 0.4545 0.2624 0.3526 ( 1784 PWs) bands (ev): 2.8964 2.8964 6.1374 6.1374 8.7989 8.7989 9.2411 9.2411 10.3802 10.3802 10.5461 10.5461 10.6069 10.6069 11.3236 11.3236 11.5351 11.5351 11.8422 11.8422 11.9692 11.9692 12.0321 12.0321 12.1093 12.1093 12.2644 12.2644 12.6548 12.6548 12.7594 12.7594 12.8205 12.8205 14.5082 14.5082 14.9444 14.9444 16.3896 16.3896 18.0828 18.0828 18.4787 18.4787 k = 0.4508 0.2602 0.3649 ( 1787 PWs) bands (ev): 2.9160 2.9160 6.1739 6.1739 8.7397 8.7397 9.2494 9.2494 10.3565 10.3565 10.5467 10.5467 10.6134 10.6134 11.3013 11.3013 11.5412 11.5412 11.8314 11.8314 11.9547 11.9547 12.0226 12.0226 12.0982 12.0982 12.2726 12.2726 12.6608 12.6608 12.7674 12.7674 12.8328 12.8328 14.4030 14.4030 14.8486 14.8486 16.3765 16.3765 18.2246 18.2246 18.6348 18.6348 k = 0.4470 0.2581 0.3773 ( 1787 PWs) bands (ev): 2.9368 2.9368 6.2131 6.2131 8.6766 8.6766 9.2585 9.2585 10.3310 10.3310 10.5474 10.5474 10.6208 10.6208 11.2775 11.2775 11.5481 11.5481 11.8214 11.8214 11.9407 11.9407 12.0127 12.0127 12.0871 12.0871 12.2802 12.2802 12.6664 12.6664 12.7756 12.7756 12.8449 12.8449 14.3027 14.3027 14.7545 14.7545 16.3629 16.3629 18.3720 18.3720 18.7939 18.7939 k = 0.4432 0.2559 0.3897 ( 1791 PWs) bands (ev): 2.9587 2.9587 6.2550 6.2550 8.6099 8.6099 9.2683 9.2683 10.3035 10.3035 10.5480 10.5480 10.6292 10.6292 11.2523 11.2523 11.5556 11.5556 11.8120 11.8120 11.9271 11.9271 12.0023 12.0023 12.0758 12.0758 12.2872 12.2872 12.6713 12.6713 12.7837 12.7837 12.8566 12.8566 14.2078 14.2078 14.6625 14.6625 16.3492 16.3492 18.5245 18.5245 18.9557 18.9557 k = 0.4394 0.2537 0.4021 ( 1791 PWs) bands (ev): 2.9816 2.9816 6.2996 6.2996 8.5400 8.5400 9.2789 9.2789 10.2744 10.2744 10.5486 10.5486 10.6384 10.6384 11.2263 11.2263 11.5636 11.5636 11.8034 11.8034 11.9143 11.9143 11.9915 11.9915 12.0646 12.0646 12.2938 12.2938 12.6755 12.6755 12.7916 12.7916 12.8676 12.8676 14.1185 14.1185 14.5726 14.5726 16.3358 16.3358 18.6818 18.6818 19.1200 19.1200 k = 0.4356 0.2515 0.4144 ( 1789 PWs) bands (ev): 3.0053 3.0053 6.3466 6.3466 8.4671 8.4671 9.2901 9.2901 10.2438 10.2438 10.5493 10.5493 10.6482 10.6482 11.1998 11.1998 11.5719 11.5719 11.7956 11.7956 11.9021 11.9021 11.9804 11.9804 12.0536 12.0536 12.2998 12.2998 12.6790 12.6790 12.7993 12.7993 12.8780 12.8780 14.0351 14.0351 14.4853 14.4853 16.3229 16.3229 18.8433 18.8433 19.2866 19.2866 k = 0.4318 0.2493 0.4268 ( 1789 PWs) bands (ev): 3.0297 3.0297 6.3962 6.3962 8.3917 8.3917 9.3018 9.3018 10.2118 10.2118 10.5502 10.5502 10.6586 10.6586 11.1729 11.1729 11.5803 11.5803 11.7884 11.7884 11.8907 11.8907 11.9688 11.9688 12.0427 12.0427 12.3053 12.3053 12.6815 12.6815 12.8067 12.8067 12.8874 12.8874 13.9578 13.9578 14.4006 14.4006 16.3106 16.3106 19.0087 19.0087 19.4553 19.4553 k = 0.4280 0.2471 0.4392 ( 1788 PWs) bands (ev): 3.0547 3.0547 6.4481 6.4481 8.3143 8.3143 9.3140 9.3140 10.1789 10.1789 10.5512 10.5512 10.6694 10.6694 11.1461 11.1461 11.5887 11.5887 11.7818 11.7818 11.8799 11.8799 11.9568 11.9568 12.0323 12.0323 12.3104 12.3104 12.6830 12.6830 12.8137 12.8137 12.8959 12.8959 13.8867 13.8867 14.3189 14.3189 16.2989 16.2989 19.1773 19.1773 19.6257 19.6257 k = 0.4242 0.2449 0.4515 ( 1789 PWs) bands (ev): 3.0800 3.0800 6.5022 6.5022 8.2353 8.2353 9.3266 9.3266 10.1451 10.1451 10.5523 10.5523 10.6805 10.6805 11.1196 11.1196 11.5970 11.5970 11.7759 11.7759 11.8699 11.8699 11.9444 11.9444 12.0224 12.0224 12.3151 12.3151 12.6834 12.6834 12.8201 12.8201 12.9033 12.9033 13.8219 13.8219 14.2401 14.2401 16.2880 16.2880 19.3482 19.3482 19.7976 19.7976 k = 0.4205 0.2427 0.4639 ( 1787 PWs) bands (ev): 3.1056 3.1056 6.5584 6.5584 8.1551 8.1551 9.3397 9.3397 10.1109 10.1109 10.5536 10.5536 10.6916 10.6916 11.0935 11.0935 11.6048 11.6048 11.7705 11.7705 11.8604 11.8604 11.9316 11.9316 12.0131 12.0131 12.3196 12.3196 12.6826 12.6826 12.8259 12.8259 12.9096 12.9096 13.7634 13.7634 14.1647 14.1647 16.2778 16.2778 19.5197 19.5197 19.9707 19.9707 k = 0.4167 0.2406 0.4763 ( 1779 PWs) bands (ev): 3.1312 3.1312 6.6164 6.6164 8.0744 8.0744 9.3532 9.3532 10.0766 10.0766 10.5554 10.5554 10.7028 10.7028 11.0681 11.0681 11.6121 11.6121 11.7657 11.7657 11.8514 11.8514 11.9188 11.9188 12.0048 12.0048 12.3237 12.3237 12.6806 12.6806 12.8311 12.8311 12.9148 12.9148 13.7113 13.7113 14.0928 14.0928 16.2683 16.2683 19.6885 19.6885 20.1445 20.1445 k = 0.4129 0.2384 0.4887 ( 1787 PWs) bands (ev): 3.1565 3.1565 6.6760 6.6760 7.9939 7.9939 9.3668 9.3668 10.0423 10.0423 10.5572 10.5572 10.7135 10.7135 11.0432 11.0432 11.6185 11.6185 11.7613 11.7613 11.8424 11.8424 11.9060 11.9060 11.9972 11.9972 12.3276 12.3276 12.6772 12.6772 12.8354 12.8354 12.9187 12.9187 13.6653 13.6653 14.0244 14.0244 16.2594 16.2594 19.8456 19.8456 20.3173 20.3173 k = 0.4091 0.2362 0.5010 ( 1784 PWs) bands (ev): 3.1814 3.1814 6.7369 6.7369 7.9142 7.9142 9.3807 9.3807 10.0086 10.0086 10.5592 10.5592 10.7240 10.7240 11.0192 11.0192 11.6240 11.6240 11.7575 11.7575 11.8331 11.8331 11.8942 11.8942 11.9907 11.9907 12.3316 12.3316 12.6726 12.6726 12.8388 12.8388 12.9215 12.9215 13.6253 13.6253 13.9600 13.9600 16.2512 16.2512 19.9632 19.9632 20.4436 20.4436 k = 0.4053 0.2340 0.5134 ( 1786 PWs) bands (ev): 3.2056 3.2056 6.7984 6.7984 7.8364 7.8364 9.3948 9.3948 9.9756 9.9756 10.5615 10.5615 10.7337 10.7337 10.9962 10.9962 11.6282 11.6282 11.7539 11.7539 11.8223 11.8223 11.8842 11.8842 11.9853 11.9853 12.3356 12.3356 12.6667 12.6667 12.8414 12.8414 12.9233 12.9233 13.5912 13.5912 13.8995 13.8995 16.2436 16.2436 19.9803 19.9803 20.4697 20.4697 k = 0.4015 0.2318 0.5258 ( 1782 PWs) bands (ev): 3.2288 3.2288 6.8598 6.8598 7.7618 7.7618 9.4091 9.4091 9.9437 9.9437 10.5640 10.5640 10.7425 10.7425 10.9741 10.9741 11.6312 11.6312 11.7507 11.7507 11.8096 11.8096 11.8769 11.8769 11.9812 11.9812 12.3398 12.3398 12.6597 12.6597 12.8430 12.8430 12.9243 12.9243 13.5626 13.5626 13.8433 13.8433 16.2365 16.2365 19.8963 19.8963 20.5889 20.5889 k = 0.3977 0.2296 0.5381 ( 1784 PWs) bands (ev): 3.2507 3.2507 6.9197 6.9197 7.6920 7.6920 9.4233 9.4233 9.9132 9.9132 10.5667 10.5667 10.7502 10.7502 10.9531 10.9531 11.6328 11.6328 11.7474 11.7474 11.7945 11.7945 11.8726 11.8726 11.9782 11.9782 12.3444 12.3444 12.6517 12.6517 12.8438 12.8438 12.9244 12.9244 13.5391 13.5391 13.7913 13.7913 16.2300 16.2300 19.7723 19.7723 20.7491 20.7491 k = 0.3939 0.2274 0.5505 ( 1781 PWs) bands (ev): 3.2709 3.2709 6.9759 6.9759 7.6298 7.6298 9.4377 9.4377 9.8843 9.8843 10.5695 10.5695 10.7564 10.7564 10.9334 10.9334 11.6329 11.6329 11.7437 11.7437 11.7778 11.7778 11.8712 11.8712 11.9765 11.9765 12.3494 12.3494 12.6429 12.6429 12.8435 12.8435 12.9240 12.9240 13.5202 13.5202 13.7439 13.7439 16.2240 16.2240 19.6367 19.6367 20.9204 20.9204 k = 0.3902 0.2253 0.5629 ( 1782 PWs) bands (ev): 3.2892 3.2892 7.0247 7.0247 7.5792 7.5792 9.4520 9.4520 9.8572 9.8572 10.5726 10.5726 10.7607 10.7607 10.9151 10.9151 11.6315 11.6315 11.7377 11.7377 11.7617 11.7617 11.8719 11.8719 11.9763 11.9763 12.3552 12.3552 12.6334 12.6334 12.8425 12.8425 12.9232 12.9232 13.5052 13.5052 13.7010 13.7010 16.2184 16.2184 19.4982 19.4982 21.0904 21.0904 k = 0.3864 0.2231 0.5753 ( 1782 PWs) bands (ev): 3.3051 3.3051 7.0605 7.0605 7.5462 7.5462 9.4662 9.4662 9.8323 9.8323 10.5757 10.5757 10.7627 10.7627 10.8982 10.8982 11.6284 11.6284 11.7255 11.7255 11.7512 11.7512 11.8742 11.8742 11.9775 11.9775 12.3618 12.3618 12.6234 12.6234 12.8410 12.8410 12.9221 12.9221 13.4939 13.4939 13.6625 13.6625 16.2132 16.2132 19.3599 19.3599 21.2506 21.2506 k = 0.3826 0.2209 0.5876 ( 1782 PWs) bands (ev): 3.3184 3.3184 7.0773 7.0773 7.5376 7.5376 9.4804 9.4804 9.8096 9.8096 10.5789 10.5789 10.7621 10.7621 10.8832 10.8832 11.6232 11.6232 11.7076 11.7076 11.7462 11.7462 11.8776 11.8776 11.9800 11.9800 12.3695 12.3695 12.6132 12.6132 12.8390 12.8390 12.9209 12.9209 13.4855 13.4855 13.6286 13.6286 16.2083 16.2083 19.2233 19.2233 21.3936 21.3936 k = 0.3788 0.2187 0.6000 ( 1780 PWs) bands (ev): 3.3285 3.3285 7.0727 7.0727 7.5559 7.5559 9.4944 9.4944 9.7895 9.7895 10.5823 10.5823 10.7585 10.7585 10.8703 10.8703 11.6145 11.6145 11.6891 11.6891 11.7435 11.7435 11.8816 11.8816 11.9840 11.9840 12.3786 12.3786 12.6029 12.6029 12.8369 12.8369 12.9199 12.9199 13.4799 13.4799 13.5991 13.5991 16.2038 16.2038 19.0893 19.0893 21.5136 21.5136 k = 0.3750 0.2165 0.6124 ( 1780 PWs) bands (ev): 3.3353 3.3353 7.0510 7.0510 7.5971 7.5971 9.5082 9.5082 9.7720 9.7720 10.5856 10.5856 10.7519 10.7519 10.8593 10.8593 11.6008 11.6008 11.6733 11.6733 11.7417 11.7417 11.8861 11.8861 11.9891 11.9891 12.3892 12.3892 12.5927 12.5927 12.8349 12.8349 12.9191 12.9191 13.4764 13.4764 13.5737 13.5737 16.1995 16.1995 18.9581 18.9581 21.6071 21.6071 k = 0.6250-0.0722 0.4082 ( 1780 PWs) bands (ev): 3.3353 3.3353 7.0510 7.0510 7.5971 7.5971 9.5082 9.5082 9.7720 9.7720 10.5856 10.5856 10.7519 10.7519 10.8593 10.8593 11.6008 11.6008 11.6733 11.6733 11.7417 11.7417 11.8861 11.8861 11.9891 11.9891 12.3892 12.3892 12.5927 12.5927 12.8349 12.8349 12.9191 12.9191 13.4764 13.4764 13.5737 13.5737 16.1995 16.1995 18.9581 18.9581 21.6071 21.6071 k = 0.6184-0.0836 0.4082 ( 1784 PWs) bands (ev): 3.3426 3.3426 7.0035 7.0035 7.6878 7.6878 9.5322 9.5322 9.7444 9.7444 10.5912 10.5912 10.7366 10.7366 10.8416 10.8416 11.5701 11.5701 11.6502 11.6502 11.7387 11.7387 11.8944 11.8944 11.9998 11.9998 12.4092 12.4092 12.5761 12.5761 12.8318 12.8318 12.9178 12.9178 13.4723 13.4723 13.5343 13.5343 16.1921 16.1921 18.7361 18.7361 21.7469 21.7469 k = 0.6118-0.0950 0.4082 ( 1780 PWs) bands (ev): 3.3477 3.3477 6.9575 6.9575 7.7840 7.7840 9.5566 9.5566 9.7176 9.7176 10.5969 10.5969 10.7186 10.7186 10.8240 10.8240 11.5374 11.5374 11.6281 11.6281 11.7352 11.7352 11.9030 11.9030 12.0116 12.0116 12.4298 12.4298 12.5617 12.5617 12.8288 12.8288 12.9160 12.9160 13.4685 13.4685 13.4982 13.4982 16.1842 16.1842 18.5213 18.5213 21.8889 21.8889 k = 0.6053-0.1064 0.4082 ( 1772 PWs) bands (ev): 3.3509 3.3509 6.9136 6.9136 7.8850 7.8850 9.5813 9.5813 9.6918 9.6918 10.6025 10.6025 10.6970 10.6970 10.8073 10.8073 11.5031 11.5031 11.6073 11.6073 11.7310 11.7310 11.9122 11.9122 12.0242 12.0242 12.4505 12.4505 12.5495 12.5495 12.8260 12.8260 12.9136 12.9136 13.4596 13.4596 13.4702 13.4702 16.1755 16.1755 18.3145 18.3145 22.0329 22.0329 k = 0.5987-0.1177 0.4082 ( 1772 PWs) bands (ev): 3.3524 3.3524 6.8718 6.8718 7.9898 7.9898 9.6060 9.6060 9.6672 9.6672 10.6077 10.6077 10.6717 10.6717 10.7916 10.7916 11.4677 11.4677 11.5873 11.5873 11.7261 11.7261 11.9221 11.9221 12.0371 12.0371 12.4706 12.4706 12.5395 12.5395 12.8237 12.8237 12.9105 12.9105 13.4310 13.4310 13.4650 13.4650 16.1660 16.1660 18.1165 18.1165 22.1784 22.1784 k = 0.5921-0.1291 0.4082 ( 1772 PWs) bands (ev): 3.3525 3.3525 6.8324 6.8324 8.0980 8.0980 9.6300 9.6300 9.6445 9.6445 10.6114 10.6114 10.6433 10.6433 10.7776 10.7776 11.4319 11.4319 11.5683 11.5683 11.7205 11.7205 11.9330 11.9330 12.0500 12.0500 12.4883 12.4883 12.5333 12.5333 12.8211 12.8211 12.9069 12.9069 13.4022 13.4022 13.4627 13.4627 16.1552 16.1552 17.9284 17.9284 22.3252 22.3252 k = 0.5855-0.1405 0.4082 ( 1778 PWs) bands (ev): 3.3515 3.3515 6.7954 6.7954 8.2087 8.2087 9.6206 9.6206 9.6563 9.6563 10.6005 10.6005 10.6250 10.6250 10.7651 10.7651 11.3959 11.3959 11.5502 11.5502 11.7144 11.7144 11.9450 11.9450 12.0628 12.0628 12.4978 12.4978 12.5358 12.5358 12.8187 12.8187 12.9023 12.9023 13.3755 13.3755 13.4608 13.4608 16.1430 16.1430 17.7511 17.7511 22.4728 22.4728 k = 0.5789-0.1519 0.4082 ( 1774 PWs) bands (ev): 3.3496 3.3496 6.7609 6.7609 8.3214 8.3214 9.6000 9.6000 9.6803 9.6803 10.5652 10.5652 10.6268 10.6268 10.7543 10.7543 11.3605 11.3605 11.5332 11.5332 11.7079 11.7079 11.9580 11.9580 12.0753 12.0753 12.4965 12.4965 12.5499 12.5499 12.8165 12.8165 12.8975 12.8975 13.3512 13.3512 13.4594 13.4594 16.1290 16.1290 17.5855 17.5855 22.6206 22.6206 k = 0.5724-0.1633 0.4082 ( 1782 PWs) bands (ev): 3.3471 3.3471 6.7290 6.7290 8.4355 8.4355 9.5807 9.5807 9.7039 9.7039 10.5231 10.5231 10.6306 10.6306 10.7447 10.7447 11.3257 11.3257 11.5170 11.5170 11.7010 11.7010 11.9720 11.9720 12.0873 12.0873 12.4903 12.4903 12.5687 12.5687 12.8144 12.8144 12.8918 12.8918 13.3289 13.3289 13.4581 13.4581 16.1129 16.1129 17.4326 17.4326 22.7682 22.7682 k = 0.5658-0.1747 0.4082 ( 1778 PWs) bands (ev): 3.3442 3.3442 6.6998 6.6998 8.5501 8.5501 9.5630 9.5630 9.7266 9.7266 10.4767 10.4767 10.6343 10.6343 10.7366 10.7366 11.2922 11.2922 11.5022 11.5022 11.6942 11.6942 11.9870 11.9870 12.0991 12.0991 12.4826 12.4826 12.5888 12.5888 12.8125 12.8125 12.8856 12.8856 13.3088 13.3088 13.4573 13.4573 16.0944 16.0944 17.2935 17.2935 22.9146 22.9146 k = 0.5592-0.1861 0.4082 ( 1778 PWs) bands (ev): 3.3410 3.3410 6.6733 6.6733 8.6647 8.6647 9.5471 9.5471 9.7481 9.7481 10.4265 10.4265 10.6376 10.6376 10.7297 10.7297 11.2601 11.2601 11.4884 11.4884 11.6875 11.6875 12.0025 12.0025 12.1103 12.1103 12.4742 12.4742 12.6089 12.6089 12.8106 12.8106 12.8787 12.8787 13.2908 13.2908 13.4566 13.4566 16.0733 16.0733 17.1691 17.1691 23.0588 23.0588 k = 0.5526-0.1975 0.4082 ( 1778 PWs) bands (ev): 3.3377 3.3377 6.6494 6.6494 8.7784 8.7784 9.5330 9.5330 9.7678 9.7678 10.3728 10.3728 10.6401 10.6401 10.7240 10.7240 11.2301 11.2301 11.4758 11.4758 11.6810 11.6810 12.0181 12.0181 12.1212 12.1212 12.4653 12.4653 12.6288 12.6288 12.8089 12.8089 12.8712 12.8712 13.2749 13.2749 13.4561 13.4561 16.0496 16.0496 17.0600 17.0600 23.1994 23.1994 k = 0.5461-0.2089 0.4082 ( 1772 PWs) bands (ev): 3.3345 3.3345 6.6283 6.6283 8.8903 8.8903 9.5212 9.5212 9.7852 9.7852 10.3160 10.3160 10.6421 10.6421 10.7195 10.7195 11.2023 11.2023 11.4645 11.4645 11.6751 11.6751 12.0335 12.0335 12.1316 12.1316 12.4561 12.4561 12.6480 12.6480 12.8073 12.8073 12.8632 12.8632 13.2610 13.2610 13.4557 13.4557 16.0239 16.0239 16.9666 16.9666 23.3348 23.3348 k = 0.5395-0.2203 0.4082 ( 1768 PWs) bands (ev): 3.3315 3.3315 6.6100 6.6100 8.9993 8.9993 9.5119 9.5119 9.7994 9.7994 10.2569 10.2569 10.6434 10.6434 10.7161 10.7161 11.1773 11.1773 11.4548 11.4548 11.6698 11.6698 12.0482 12.0482 12.1417 12.1417 12.4465 12.4465 12.6666 12.6666 12.8057 12.8057 12.8547 12.8547 13.2489 13.2489 13.4555 13.4555 15.9968 15.9968 16.8887 16.8887 23.4626 23.4626 k = 0.5329-0.2317 0.4082 ( 1768 PWs) bands (ev): 3.3287 3.3287 6.5945 6.5945 9.1037 9.1037 9.5059 9.5059 9.8091 9.8091 10.1969 10.1969 10.6441 10.6441 10.7135 10.7135 11.1553 11.1553 11.4462 11.4462 11.6650 11.6650 12.0614 12.0614 12.1514 12.1514 12.4369 12.4369 12.6843 12.6843 12.8042 12.8042 12.8459 12.8459 13.2387 13.2387 13.4553 13.4553 15.9696 15.9696 16.8258 16.8258 23.5801 23.5801 k = 0.5263-0.2431 0.4082 ( 1768 PWs) bands (ev): 3.3264 3.3264 6.5817 6.5817 9.2008 9.2008 9.5048 9.5048 9.8123 9.8123 10.1383 10.1383 10.6443 10.6443 10.7118 10.7118 11.1367 11.1367 11.4391 11.4391 11.6610 11.6610 12.0729 12.0729 12.1607 12.1607 12.4276 12.4276 12.7008 12.7008 12.8026 12.8026 12.8369 12.8369 13.2304 13.2304 13.4551 13.4551 15.9440 15.9440 16.7768 16.7768 23.6840 23.6840 k = 0.5197-0.2545 0.4082 ( 1768 PWs) bands (ev): 3.3245 3.3245 6.5718 6.5718 9.2852 9.2852 9.5123 9.5123 9.8056 9.8056 10.0855 10.0855 10.6443 10.6443 10.7106 10.7106 11.1219 11.1219 11.4335 11.4335 11.6578 11.6578 12.0821 12.0821 12.1690 12.1690 12.4192 12.4192 12.7160 12.7160 12.8007 12.8007 12.8285 12.8285 13.2240 13.2240 13.4550 13.4550 15.9218 15.9218 16.7404 16.7404 23.7704 23.7704 k = 0.5132-0.2659 0.4082 ( 1772 PWs) bands (ev): 3.3230 3.3230 6.5647 6.5647 9.3475 9.3475 9.5344 9.5344 9.7859 9.7859 10.0444 10.0444 10.6441 10.6441 10.7098 10.7098 11.1111 11.1111 11.4295 11.4295 11.6555 11.6555 12.0888 12.0888 12.1759 12.1759 12.4123 12.4123 12.7290 12.7290 12.7980 12.7980 12.8214 12.8214 13.2194 13.2194 13.4549 13.4549 15.9045 15.9045 16.7154 16.7154 23.8357 23.8357 k = 0.5066-0.2773 0.4082 ( 1772 PWs) bands (ev): 3.3222 3.3222 6.5605 6.5605 9.3808 9.3808 9.5705 9.5705 9.7557 9.7557 10.0195 10.0195 10.6439 10.6439 10.7094 10.7094 11.1045 11.1045 11.4271 11.4271 11.6541 11.6541 12.0928 12.0928 12.1805 12.1805 12.4078 12.4078 12.7386 12.7386 12.7948 12.7948 12.8170 12.8170 13.2166 13.2166 13.4549 13.4549 15.8936 15.8936 16.7009 16.7009 23.8763 23.8763 k = 0.5000-0.2887 0.4082 ( 1772 PWs) bands (ev): 3.3219 3.3219 6.5590 6.5590 9.3902 9.3902 9.5927 9.5927 9.7370 9.7370 10.0115 10.0115 10.6439 10.6439 10.7093 10.7093 11.1023 11.1023 11.4262 11.4262 11.6536 11.6536 12.0942 12.0942 12.1821 12.1821 12.4063 12.4063 12.7423 12.7423 12.7932 12.7932 12.8156 12.8156 13.2157 13.2157 13.4549 13.4549 15.8898 15.8898 16.6961 16.6961 23.8902 23.8902 Writing output data file CuNi2Sb.save init_run : 0.24s CPU 0.47s WALL ( 1 calls) electrons : 89.60s CPU 91.73s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.04s WALL ( 1 calls) potinit : 0.01s CPU 0.07s WALL ( 1 calls) Called by electrons: c_bands : 89.59s CPU 91.71s 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 : 0.05s CPU 0.06s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.04s CPU 0.04s WALL ( 356 calls) cegterg : 82.06s CPU 83.64s WALL ( 422 calls) Called by sum_band: Called by *egterg: h_psi : 37.12s CPU 38.26s WALL ( 7322 calls) s_psi : 3.55s CPU 3.79s WALL ( 7322 calls) g_psi : 0.07s CPU 0.09s WALL ( 6544 calls) cdiaghg : 40.01s CPU 40.77s WALL ( 6900 calls) cegterg:over : 2.88s CPU 2.71s WALL ( 6544 calls) cegterg:upda : 1.79s CPU 1.74s WALL ( 6544 calls) cegterg:last : 0.98s CPU 1.05s WALL ( 1141 calls) cdiaghg:chol : 2.15s CPU 2.14s WALL ( 6900 calls) cdiaghg:inve : 1.37s CPU 1.33s WALL ( 6900 calls) cdiaghg:para : 2.34s CPU 2.31s WALL ( 13800 calls) Called by h_psi: h_psi:vloc : 29.86s CPU 30.77s WALL ( 7322 calls) h_psi:vnl : 7.20s CPU 7.42s WALL ( 7322 calls) add_vuspsi : 4.07s CPU 4.24s WALL ( 7322 calls) General routines calbec : 3.10s CPU 3.15s WALL ( 7322 calls) fft : 0.00s CPU 0.00s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 27.91s CPU 28.76s WALL ( 687276 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.12s CPU 0.14s WALL ( 712 calls) Parallel routines fft_scatter : 13.65s CPU 14.17s WALL ( 687299 calls) PWSCF : 1m40.94s CPU 2m 1.98s WALL This run was terminated on: 17:56:28 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=