Program PWSCF v.5.3.0 (svn rev. 11974) starts on 24Dec2016 at 18:36:49 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: ./AlCu3.save/ file Cu.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 27 21 6 565 384 63 Max 28 22 7 568 398 65 Sum 979 769 235 20395 14067 2277 bravais-lattice index = 14 lattice parameter (alat) = 7.7769 a.u. unit-cell volume = 332.5872 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 2 number of electrons = 36.00 number of Kohn-Sham states= 44 kinetic-energy cutoff = 46.0000 Ry charge density cutoff = 237.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.776906 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 Al read from file: /users/gautes/Pseudo/Al.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: d344aa71f13a435d235890da883ec65e Pseudo is Ultrasoft + core correction, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1135 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 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 Al 3.00 26.98150 Al( 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= 363 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027548 k( 2) = ( 0.0092593 -0.0053458 0.0075602), wk = 0.0027548 k( 3) = ( 0.0185185 -0.0106917 0.0151203), wk = 0.0027548 k( 4) = ( 0.0277778 -0.0160375 0.0226805), wk = 0.0027548 k( 5) = ( 0.0370370 -0.0213833 0.0302406), wk = 0.0027548 k( 6) = ( 0.0462963 -0.0267292 0.0378008), wk = 0.0027548 k( 7) = ( 0.0555556 -0.0320750 0.0453609), wk = 0.0027548 k( 8) = ( 0.0648148 -0.0374208 0.0529211), wk = 0.0027548 k( 9) = ( 0.0740741 -0.0427667 0.0604812), wk = 0.0027548 k( 10) = ( 0.0833333 -0.0481125 0.0680414), wk = 0.0027548 k( 11) = ( 0.0925926 -0.0534584 0.0756015), wk = 0.0027548 k( 12) = ( 0.1018518 -0.0588042 0.0831617), wk = 0.0027548 k( 13) = ( 0.1111111 -0.0641500 0.0907218), wk = 0.0027548 k( 14) = ( 0.1203704 -0.0694959 0.0982820), wk = 0.0027548 k( 15) = ( 0.1296296 -0.0748417 0.1058421), wk = 0.0027548 k( 16) = ( 0.1388889 -0.0801875 0.1134023), wk = 0.0027548 k( 17) = ( 0.1481482 -0.0855334 0.1209625), wk = 0.0027548 k( 18) = ( 0.1574074 -0.0908792 0.1285226), wk = 0.0027548 k( 19) = ( 0.1666667 -0.0962250 0.1360828), wk = 0.0027548 k( 20) = ( 0.1759259 -0.1015709 0.1436429), wk = 0.0027548 k( 21) = ( 0.1851852 -0.1069167 0.1512031), wk = 0.0027548 k( 22) = ( 0.1944444 -0.1122625 0.1587632), wk = 0.0027548 k( 23) = ( 0.2037037 -0.1176084 0.1663234), wk = 0.0027548 k( 24) = ( 0.2129630 -0.1229542 0.1738835), wk = 0.0027548 k( 25) = ( 0.2222222 -0.1283001 0.1814437), wk = 0.0027548 k( 26) = ( 0.2314815 -0.1336459 0.1890038), wk = 0.0027548 k( 27) = ( 0.2407407 -0.1389917 0.1965640), wk = 0.0027548 k( 28) = ( 0.2500000 -0.1443376 0.2041241), wk = 0.0027548 k( 29) = ( 0.2592593 -0.1496834 0.2116843), wk = 0.0027548 k( 30) = ( 0.2685185 -0.1550292 0.2192445), wk = 0.0027548 k( 31) = ( 0.2777778 -0.1603751 0.2268046), wk = 0.0027548 k( 32) = ( 0.2870370 -0.1657209 0.2343648), wk = 0.0027548 k( 33) = ( 0.2962963 -0.1710667 0.2419249), wk = 0.0027548 k( 34) = ( 0.3055556 -0.1764126 0.2494851), wk = 0.0027548 k( 35) = ( 0.3148148 -0.1817584 0.2570452), wk = 0.0027548 k( 36) = ( 0.3240741 -0.1871043 0.2646054), wk = 0.0027548 k( 37) = ( 0.3333333 -0.1924501 0.2721655), wk = 0.0027548 k( 38) = ( 0.3425926 -0.1977959 0.2797257), wk = 0.0027548 k( 39) = ( 0.3518519 -0.2031418 0.2872858), wk = 0.0027548 k( 40) = ( 0.3611111 -0.2084876 0.2948460), wk = 0.0027548 k( 41) = ( 0.3703704 -0.2138334 0.3024061), wk = 0.0027548 k( 42) = ( 0.3796296 -0.2191793 0.3099663), wk = 0.0027548 k( 43) = ( 0.3888889 -0.2245251 0.3175264), wk = 0.0027548 k( 44) = ( 0.3981481 -0.2298709 0.3250866), wk = 0.0027548 k( 45) = ( 0.4074074 -0.2352168 0.3326468), wk = 0.0027548 k( 46) = ( 0.4166667 -0.2405626 0.3402069), wk = 0.0027548 k( 47) = ( 0.4259259 -0.2459085 0.3477671), wk = 0.0027548 k( 48) = ( 0.4351852 -0.2512543 0.3553272), wk = 0.0027548 k( 49) = ( 0.4444444 -0.2566001 0.3628874), wk = 0.0027548 k( 50) = ( 0.4537037 -0.2619460 0.3704475), wk = 0.0027548 k( 51) = ( 0.4629630 -0.2672918 0.3780077), wk = 0.0027548 k( 52) = ( 0.4722222 -0.2726376 0.3855678), wk = 0.0027548 k( 53) = ( 0.4814815 -0.2779835 0.3931280), wk = 0.0027548 k( 54) = ( 0.4907407 -0.2833293 0.4006881), wk = 0.0027548 k( 55) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0027548 k( 56) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0027548 k( 57) = ( 0.5000000 -0.2779835 0.4158084), wk = 0.0027548 k( 58) = ( 0.5000000 -0.2672918 0.4233686), wk = 0.0027548 k( 59) = ( 0.5000000 -0.2566001 0.4309288), wk = 0.0027548 k( 60) = ( 0.5000000 -0.2459084 0.4384889), wk = 0.0027548 k( 61) = ( 0.5000000 -0.2352168 0.4460491), wk = 0.0027548 k( 62) = ( 0.5000000 -0.2245251 0.4536092), wk = 0.0027548 k( 63) = ( 0.5000000 -0.2138334 0.4611694), wk = 0.0027548 k( 64) = ( 0.5000000 -0.2031418 0.4687295), wk = 0.0027548 k( 65) = ( 0.5000000 -0.1924501 0.4762897), wk = 0.0027548 k( 66) = ( 0.5000000 -0.1817584 0.4838498), wk = 0.0027548 k( 67) = ( 0.5000000 -0.1710667 0.4914100), wk = 0.0027548 k( 68) = ( 0.5000000 -0.1603751 0.4989701), wk = 0.0027548 k( 69) = ( 0.5000000 -0.1496834 0.5065303), wk = 0.0027548 k( 70) = ( 0.5000000 -0.1389917 0.5140904), wk = 0.0027548 k( 71) = ( 0.5000000 -0.1283001 0.5216506), wk = 0.0027548 k( 72) = ( 0.5000000 -0.1176084 0.5292107), wk = 0.0027548 k( 73) = ( 0.5000000 -0.1069167 0.5367709), wk = 0.0027548 k( 74) = ( 0.5000000 -0.0962250 0.5443311), wk = 0.0027548 k( 75) = ( 0.5000000 -0.0855334 0.5518912), wk = 0.0027548 k( 76) = ( 0.5000000 -0.0748417 0.5594514), wk = 0.0027548 k( 77) = ( 0.5000000 -0.0641500 0.5670115), wk = 0.0027548 k( 78) = ( 0.5000000 -0.0534584 0.5745717), wk = 0.0027548 k( 79) = ( 0.5000000 -0.0427667 0.5821318), wk = 0.0027548 k( 80) = ( 0.5000000 -0.0320750 0.5896920), wk = 0.0027548 k( 81) = ( 0.5000000 -0.0213833 0.5972521), wk = 0.0027548 k( 82) = ( 0.5000000 -0.0106917 0.6048123), wk = 0.0027548 k( 83) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0027548 k( 84) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0027548 k( 85) = ( 0.4937500 0.0108253 0.6123724), wk = 0.0027548 k( 86) = ( 0.4875000 0.0216506 0.6123724), wk = 0.0027548 k( 87) = ( 0.4812500 0.0324760 0.6123724), wk = 0.0027548 k( 88) = ( 0.4750000 0.0433013 0.6123724), wk = 0.0027548 k( 89) = ( 0.4687500 0.0541266 0.6123724), wk = 0.0027548 k( 90) = ( 0.4625000 0.0649519 0.6123724), wk = 0.0027548 k( 91) = ( 0.4562500 0.0757772 0.6123724), wk = 0.0027548 k( 92) = ( 0.4500000 0.0866025 0.6123724), wk = 0.0027548 k( 93) = ( 0.4437500 0.0974279 0.6123724), wk = 0.0027548 k( 94) = ( 0.4375000 0.1082532 0.6123724), wk = 0.0027548 k( 95) = ( 0.4312500 0.1190785 0.6123724), wk = 0.0027548 k( 96) = ( 0.4250000 0.1299038 0.6123724), wk = 0.0027548 k( 97) = ( 0.4187500 0.1407291 0.6123724), wk = 0.0027548 k( 98) = ( 0.4125000 0.1515544 0.6123724), wk = 0.0027548 k( 99) = ( 0.4062500 0.1623798 0.6123724), wk = 0.0027548 k( 100) = ( 0.4000000 0.1732051 0.6123724), wk = 0.0027548 k( 101) = ( 0.3937500 0.1840304 0.6123724), wk = 0.0027548 k( 102) = ( 0.3875000 0.1948557 0.6123724), wk = 0.0027548 k( 103) = ( 0.3812500 0.2056810 0.6123724), wk = 0.0027548 k( 104) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0027548 k( 105) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0027548 k( 106) = ( 0.3685345 0.2127735 0.6018143), wk = 0.0027548 k( 107) = ( 0.3620690 0.2090406 0.5912561), wk = 0.0027548 k( 108) = ( 0.3556034 0.2053077 0.5806980), wk = 0.0027548 k( 109) = ( 0.3491379 0.2015749 0.5701399), wk = 0.0027548 k( 110) = ( 0.3426724 0.1978420 0.5595817), wk = 0.0027548 k( 111) = ( 0.3362069 0.1941091 0.5490236), wk = 0.0027548 k( 112) = ( 0.3297414 0.1903763 0.5384654), wk = 0.0027548 k( 113) = ( 0.3232759 0.1866434 0.5279073), wk = 0.0027548 k( 114) = ( 0.3168103 0.1829105 0.5173491), wk = 0.0027548 k( 115) = ( 0.3103448 0.1791777 0.5067910), wk = 0.0027548 k( 116) = ( 0.3038793 0.1754448 0.4962328), wk = 0.0027548 k( 117) = ( 0.2974138 0.1717119 0.4856747), wk = 0.0027548 k( 118) = ( 0.2909483 0.1679791 0.4751165), wk = 0.0027548 k( 119) = ( 0.2844828 0.1642462 0.4645584), wk = 0.0027548 k( 120) = ( 0.2780172 0.1605133 0.4540003), wk = 0.0027548 k( 121) = ( 0.2715517 0.1567805 0.4434421), wk = 0.0027548 k( 122) = ( 0.2650862 0.1530476 0.4328840), wk = 0.0027548 k( 123) = ( 0.2586207 0.1493147 0.4223258), wk = 0.0027548 k( 124) = ( 0.2521552 0.1455819 0.4117677), wk = 0.0027548 k( 125) = ( 0.2456897 0.1418490 0.4012095), wk = 0.0027548 k( 126) = ( 0.2392241 0.1381161 0.3906514), wk = 0.0027548 k( 127) = ( 0.2327586 0.1343833 0.3800932), wk = 0.0027548 k( 128) = ( 0.2262931 0.1306504 0.3695351), wk = 0.0027548 k( 129) = ( 0.2198276 0.1269175 0.3589769), wk = 0.0027548 k( 130) = ( 0.2133621 0.1231846 0.3484188), wk = 0.0027548 k( 131) = ( 0.2068966 0.1194518 0.3378607), wk = 0.0027548 k( 132) = ( 0.2004310 0.1157189 0.3273025), wk = 0.0027548 k( 133) = ( 0.1939655 0.1119860 0.3167444), wk = 0.0027548 k( 134) = ( 0.1875000 0.1082532 0.3061862), wk = 0.0027548 k( 135) = ( 0.1810345 0.1045203 0.2956281), wk = 0.0027548 k( 136) = ( 0.1745690 0.1007874 0.2850699), wk = 0.0027548 k( 137) = ( 0.1681034 0.0970546 0.2745118), wk = 0.0027548 k( 138) = ( 0.1616379 0.0933217 0.2639536), wk = 0.0027548 k( 139) = ( 0.1551724 0.0895888 0.2533955), wk = 0.0027548 k( 140) = ( 0.1487069 0.0858560 0.2428373), wk = 0.0027548 k( 141) = ( 0.1422414 0.0821231 0.2322792), wk = 0.0027548 k( 142) = ( 0.1357759 0.0783902 0.2217211), wk = 0.0027548 k( 143) = ( 0.1293103 0.0746574 0.2111629), wk = 0.0027548 k( 144) = ( 0.1228448 0.0709245 0.2006048), wk = 0.0027548 k( 145) = ( 0.1163793 0.0671916 0.1900466), wk = 0.0027548 k( 146) = ( 0.1099138 0.0634588 0.1794885), wk = 0.0027548 k( 147) = ( 0.1034483 0.0597259 0.1689303), wk = 0.0027548 k( 148) = ( 0.0969828 0.0559930 0.1583722), wk = 0.0027548 k( 149) = ( 0.0905172 0.0522602 0.1478140), wk = 0.0027548 k( 150) = ( 0.0840517 0.0485273 0.1372559), wk = 0.0027548 k( 151) = ( 0.0775862 0.0447944 0.1266977), wk = 0.0027548 k( 152) = ( 0.0711207 0.0410615 0.1161396), wk = 0.0027548 k( 153) = ( 0.0646552 0.0373287 0.1055815), wk = 0.0027548 k( 154) = ( 0.0581897 0.0335958 0.0950233), wk = 0.0027548 k( 155) = ( 0.0517241 0.0298629 0.0844652), wk = 0.0027548 k( 156) = ( 0.0452586 0.0261301 0.0739070), wk = 0.0027548 k( 157) = ( 0.0387931 0.0223972 0.0633489), wk = 0.0027548 k( 158) = ( 0.0323276 0.0186643 0.0527907), wk = 0.0027548 k( 159) = ( 0.0258621 0.0149315 0.0422326), wk = 0.0027548 k( 160) = ( 0.0193965 0.0111986 0.0316744), wk = 0.0027548 k( 161) = ( 0.0129310 0.0074657 0.0211163), wk = 0.0027548 k( 162) = ( 0.0064655 0.0037329 0.0105581), wk = 0.0027548 k( 163) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027548 k( 164) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027548 k( 165) = ( 0.0106383 0.0061420 0.0043431), wk = 0.0027548 k( 166) = ( 0.0212766 0.0122841 0.0086861), wk = 0.0027548 k( 167) = ( 0.0319149 0.0184261 0.0130292), wk = 0.0027548 k( 168) = ( 0.0425532 0.0245681 0.0173723), wk = 0.0027548 k( 169) = ( 0.0531915 0.0307101 0.0217153), wk = 0.0027548 k( 170) = ( 0.0638298 0.0368521 0.0260584), wk = 0.0027548 k( 171) = ( 0.0744681 0.0429942 0.0304015), wk = 0.0027548 k( 172) = ( 0.0851064 0.0491362 0.0347445), wk = 0.0027548 k( 173) = ( 0.0957447 0.0552782 0.0390876), wk = 0.0027548 k( 174) = ( 0.1063830 0.0614202 0.0434307), wk = 0.0027548 k( 175) = ( 0.1170213 0.0675623 0.0477737), wk = 0.0027548 k( 176) = ( 0.1276596 0.0737043 0.0521168), wk = 0.0027548 k( 177) = ( 0.1382979 0.0798463 0.0564599), wk = 0.0027548 k( 178) = ( 0.1489362 0.0859883 0.0608029), wk = 0.0027548 k( 179) = ( 0.1595745 0.0921304 0.0651460), wk = 0.0027548 k( 180) = ( 0.1702128 0.0982724 0.0694891), wk = 0.0027548 k( 181) = ( 0.1808511 0.1044144 0.0738321), wk = 0.0027548 k( 182) = ( 0.1914894 0.1105564 0.0781752), wk = 0.0027548 k( 183) = ( 0.2021277 0.1166985 0.0825183), wk = 0.0027548 k( 184) = ( 0.2127660 0.1228405 0.0868613), wk = 0.0027548 k( 185) = ( 0.2234043 0.1289825 0.0912044), wk = 0.0027548 k( 186) = ( 0.2340425 0.1351245 0.0955475), wk = 0.0027548 k( 187) = ( 0.2446809 0.1412666 0.0998905), wk = 0.0027548 k( 188) = ( 0.2553191 0.1474086 0.1042336), wk = 0.0027548 k( 189) = ( 0.2659574 0.1535506 0.1085767), wk = 0.0027548 k( 190) = ( 0.2765957 0.1596926 0.1129197), wk = 0.0027548 k( 191) = ( 0.2872340 0.1658347 0.1172628), wk = 0.0027548 k( 192) = ( 0.2978723 0.1719767 0.1216059), wk = 0.0027548 k( 193) = ( 0.3085106 0.1781187 0.1259489), wk = 0.0027548 k( 194) = ( 0.3191489 0.1842607 0.1302920), wk = 0.0027548 k( 195) = ( 0.3297872 0.1904027 0.1346351), wk = 0.0027548 k( 196) = ( 0.3404255 0.1965448 0.1389781), wk = 0.0027548 k( 197) = ( 0.3510638 0.2026868 0.1433212), wk = 0.0027548 k( 198) = ( 0.3617021 0.2088288 0.1476643), wk = 0.0027548 k( 199) = ( 0.3723404 0.2149708 0.1520073), wk = 0.0027548 k( 200) = ( 0.3829787 0.2211129 0.1563504), wk = 0.0027548 k( 201) = ( 0.3936170 0.2272549 0.1606935), wk = 0.0027548 k( 202) = ( 0.4042553 0.2333969 0.1650365), wk = 0.0027548 k( 203) = ( 0.4148936 0.2395389 0.1693796), wk = 0.0027548 k( 204) = ( 0.4255319 0.2456810 0.1737227), wk = 0.0027548 k( 205) = ( 0.4361702 0.2518230 0.1780657), wk = 0.0027548 k( 206) = ( 0.4468085 0.2579650 0.1824088), wk = 0.0027548 k( 207) = ( 0.4574468 0.2641070 0.1867519), wk = 0.0027548 k( 208) = ( 0.4680851 0.2702491 0.1910949), wk = 0.0027548 k( 209) = ( 0.4787234 0.2763911 0.1954380), wk = 0.0027548 k( 210) = ( 0.4893617 0.2825331 0.1997811), wk = 0.0027548 k( 211) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0027548 k( 212) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0027548 k( 213) = ( 0.5036765 0.2780621 0.2101278), wk = 0.0027548 k( 214) = ( 0.5073529 0.2674490 0.2161314), wk = 0.0027548 k( 215) = ( 0.5110294 0.2568360 0.2221351), wk = 0.0027548 k( 216) = ( 0.5147059 0.2462229 0.2281387), wk = 0.0027548 k( 217) = ( 0.5183823 0.2356098 0.2341424), wk = 0.0027548 k( 218) = ( 0.5220588 0.2249968 0.2401461), wk = 0.0027548 k( 219) = ( 0.5257353 0.2143837 0.2461497), wk = 0.0027548 k( 220) = ( 0.5294118 0.2037707 0.2521534), wk = 0.0027548 k( 221) = ( 0.5330882 0.1931576 0.2581570), wk = 0.0027548 k( 222) = ( 0.5367647 0.1825446 0.2641607), wk = 0.0027548 k( 223) = ( 0.5404412 0.1719315 0.2701643), wk = 0.0027548 k( 224) = ( 0.5441177 0.1613185 0.2761680), wk = 0.0027548 k( 225) = ( 0.5477941 0.1507054 0.2821716), wk = 0.0027548 k( 226) = ( 0.5514706 0.1400923 0.2881753), wk = 0.0027548 k( 227) = ( 0.5551471 0.1294793 0.2941789), wk = 0.0027548 k( 228) = ( 0.5588235 0.1188662 0.3001826), wk = 0.0027548 k( 229) = ( 0.5625000 0.1082532 0.3061862), wk = 0.0027548 k( 230) = ( 0.5661765 0.0976401 0.3121899), wk = 0.0027548 k( 231) = ( 0.5698529 0.0870271 0.3181935), wk = 0.0027548 k( 232) = ( 0.5735294 0.0764140 0.3241972), wk = 0.0027548 k( 233) = ( 0.5772059 0.0658010 0.3302008), wk = 0.0027548 k( 234) = ( 0.5808823 0.0551879 0.3362045), wk = 0.0027548 k( 235) = ( 0.5845588 0.0445748 0.3422081), wk = 0.0027548 k( 236) = ( 0.5882353 0.0339618 0.3482118), wk = 0.0027548 k( 237) = ( 0.5919118 0.0233487 0.3542154), wk = 0.0027548 k( 238) = ( 0.5955882 0.0127357 0.3602191), wk = 0.0027548 k( 239) = ( 0.5992647 0.0021226 0.3662227), wk = 0.0027548 k( 240) = ( 0.6029412 -0.0084904 0.3722264), wk = 0.0027548 k( 241) = ( 0.6066177 -0.0191035 0.3782300), wk = 0.0027548 k( 242) = ( 0.6102941 -0.0297166 0.3842337), wk = 0.0027548 k( 243) = ( 0.6139706 -0.0403296 0.3902373), wk = 0.0027548 k( 244) = ( 0.6176471 -0.0509427 0.3962410), wk = 0.0027548 k( 245) = ( 0.6213235 -0.0615557 0.4022446), wk = 0.0027548 k( 246) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0027548 k( 247) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0027548 k( 248) = ( 0.6187500 -0.0685603 0.4184545), wk = 0.0027548 k( 249) = ( 0.6125000 -0.0649519 0.4286607), wk = 0.0027548 k( 250) = ( 0.6062500 -0.0613435 0.4388669), wk = 0.0027548 k( 251) = ( 0.6000000 -0.0577350 0.4490731), wk = 0.0027548 k( 252) = ( 0.5937500 -0.0541266 0.4592793), wk = 0.0027548 k( 253) = ( 0.5875000 -0.0505181 0.4694855), wk = 0.0027548 k( 254) = ( 0.5812500 -0.0469097 0.4796917), wk = 0.0027548 k( 255) = ( 0.5750000 -0.0433013 0.4898979), wk = 0.0027548 k( 256) = ( 0.5687500 -0.0396928 0.5001042), wk = 0.0027548 k( 257) = ( 0.5625000 -0.0360844 0.5103104), wk = 0.0027548 k( 258) = ( 0.5562500 -0.0324760 0.5205166), wk = 0.0027548 k( 259) = ( 0.5500000 -0.0288675 0.5307228), wk = 0.0027548 k( 260) = ( 0.5437500 -0.0252591 0.5409290), wk = 0.0027548 k( 261) = ( 0.5375000 -0.0216506 0.5511352), wk = 0.0027548 k( 262) = ( 0.5312500 -0.0180422 0.5613414), wk = 0.0027548 k( 263) = ( 0.5250000 -0.0144338 0.5715476), wk = 0.0027548 k( 264) = ( 0.5187500 -0.0108253 0.5817538), wk = 0.0027548 k( 265) = ( 0.5125000 -0.0072169 0.5919600), wk = 0.0027548 k( 266) = ( 0.5062500 -0.0036084 0.6021662), wk = 0.0027548 k( 267) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0027548 k( 268) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0027548 k( 269) = ( 0.5000000 0.0074019 0.6019045), wk = 0.0027548 k( 270) = ( 0.5000000 0.0148038 0.5914366), wk = 0.0027548 k( 271) = ( 0.5000000 0.0222058 0.5809687), wk = 0.0027548 k( 272) = ( 0.5000000 0.0296077 0.5705008), wk = 0.0027548 k( 273) = ( 0.5000000 0.0370096 0.5600329), wk = 0.0027548 k( 274) = ( 0.5000000 0.0444116 0.5495650), wk = 0.0027548 k( 275) = ( 0.5000000 0.0518135 0.5390971), wk = 0.0027548 k( 276) = ( 0.5000000 0.0592154 0.5286292), wk = 0.0027548 k( 277) = ( 0.5000000 0.0666173 0.5181613), wk = 0.0027548 k( 278) = ( 0.5000000 0.0740193 0.5076934), wk = 0.0027548 k( 279) = ( 0.5000000 0.0814212 0.4972255), wk = 0.0027548 k( 280) = ( 0.5000000 0.0888231 0.4867576), wk = 0.0027548 k( 281) = ( 0.5000000 0.0962250 0.4762897), wk = 0.0027548 k( 282) = ( 0.5000000 0.1036270 0.4658218), wk = 0.0027548 k( 283) = ( 0.5000000 0.1110289 0.4553539), wk = 0.0027548 k( 284) = ( 0.5000000 0.1184308 0.4448860), wk = 0.0027548 k( 285) = ( 0.5000000 0.1258328 0.4344181), wk = 0.0027548 k( 286) = ( 0.5000000 0.1332347 0.4239501), wk = 0.0027548 k( 287) = ( 0.5000000 0.1406366 0.4134822), wk = 0.0027548 k( 288) = ( 0.5000000 0.1480385 0.4030143), wk = 0.0027548 k( 289) = ( 0.5000000 0.1554405 0.3925464), wk = 0.0027548 k( 290) = ( 0.5000000 0.1628424 0.3820785), wk = 0.0027548 k( 291) = ( 0.5000000 0.1702443 0.3716106), wk = 0.0027548 k( 292) = ( 0.5000000 0.1776462 0.3611427), wk = 0.0027548 k( 293) = ( 0.5000000 0.1850482 0.3506748), wk = 0.0027548 k( 294) = ( 0.5000000 0.1924501 0.3402069), wk = 0.0027548 k( 295) = ( 0.5000000 0.1998520 0.3297390), wk = 0.0027548 k( 296) = ( 0.5000000 0.2072539 0.3192711), wk = 0.0027548 k( 297) = ( 0.5000000 0.2146559 0.3088032), wk = 0.0027548 k( 298) = ( 0.5000000 0.2220578 0.2983353), wk = 0.0027548 k( 299) = ( 0.5000000 0.2294597 0.2878674), wk = 0.0027548 k( 300) = ( 0.5000000 0.2368617 0.2773995), wk = 0.0027548 k( 301) = ( 0.5000000 0.2442636 0.2669316), wk = 0.0027548 k( 302) = ( 0.5000000 0.2516655 0.2564637), wk = 0.0027548 k( 303) = ( 0.5000000 0.2590674 0.2459958), wk = 0.0027548 k( 304) = ( 0.5000000 0.2664694 0.2355279), wk = 0.0027548 k( 305) = ( 0.5000000 0.2738713 0.2250600), wk = 0.0027548 k( 306) = ( 0.5000000 0.2812732 0.2145921), wk = 0.0027548 k( 307) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0027548 k( 308) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0027548 k( 309) = ( 0.4963235 0.2865525 0.2161314), wk = 0.0027548 k( 310) = ( 0.4926471 0.2844299 0.2281387), wk = 0.0027548 k( 311) = ( 0.4889706 0.2823073 0.2401460), wk = 0.0027548 k( 312) = ( 0.4852941 0.2801847 0.2521533), wk = 0.0027548 k( 313) = ( 0.4816177 0.2780621 0.2641607), wk = 0.0027548 k( 314) = ( 0.4779412 0.2759395 0.2761680), wk = 0.0027548 k( 315) = ( 0.4742647 0.2738169 0.2881753), wk = 0.0027548 k( 316) = ( 0.4705882 0.2716942 0.3001826), wk = 0.0027548 k( 317) = ( 0.4669118 0.2695716 0.3121899), wk = 0.0027548 k( 318) = ( 0.4632353 0.2674490 0.3241972), wk = 0.0027548 k( 319) = ( 0.4595588 0.2653264 0.3362045), wk = 0.0027548 k( 320) = ( 0.4558823 0.2632038 0.3482118), wk = 0.0027548 k( 321) = ( 0.4522059 0.2610812 0.3602191), wk = 0.0027548 k( 322) = ( 0.4485294 0.2589586 0.3722264), wk = 0.0027548 k( 323) = ( 0.4448529 0.2568360 0.3842337), wk = 0.0027548 k( 324) = ( 0.4411765 0.2547134 0.3962410), wk = 0.0027548 k( 325) = ( 0.4375000 0.2525907 0.4082483), wk = 0.0027548 k( 326) = ( 0.4338235 0.2504681 0.4202556), wk = 0.0027548 k( 327) = ( 0.4301471 0.2483455 0.4322629), wk = 0.0027548 k( 328) = ( 0.4264706 0.2462229 0.4442702), wk = 0.0027548 k( 329) = ( 0.4227941 0.2441003 0.4562775), wk = 0.0027548 k( 330) = ( 0.4191177 0.2419777 0.4682848), wk = 0.0027548 k( 331) = ( 0.4154412 0.2398551 0.4802921), wk = 0.0027548 k( 332) = ( 0.4117647 0.2377325 0.4922994), wk = 0.0027548 k( 333) = ( 0.4080882 0.2356099 0.5043067), wk = 0.0027548 k( 334) = ( 0.4044118 0.2334872 0.5163140), wk = 0.0027548 k( 335) = ( 0.4007353 0.2313646 0.5283213), wk = 0.0027548 k( 336) = ( 0.3970588 0.2292420 0.5403286), wk = 0.0027548 k( 337) = ( 0.3933823 0.2271194 0.5523359), wk = 0.0027548 k( 338) = ( 0.3897059 0.2249968 0.5643432), wk = 0.0027548 k( 339) = ( 0.3860294 0.2228742 0.5763505), wk = 0.0027548 k( 340) = ( 0.3823529 0.2207516 0.5883578), wk = 0.0027548 k( 341) = ( 0.3786765 0.2186290 0.6003651), wk = 0.0027548 k( 342) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0027548 k( 343) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0027548 k( 344) = ( 0.6187500 -0.0829941 0.4082483), wk = 0.0027548 k( 345) = ( 0.6125000 -0.0938194 0.4082483), wk = 0.0027548 k( 346) = ( 0.6062500 -0.1046447 0.4082483), wk = 0.0027548 k( 347) = ( 0.6000000 -0.1154701 0.4082483), wk = 0.0027548 k( 348) = ( 0.5937500 -0.1262954 0.4082483), wk = 0.0027548 k( 349) = ( 0.5875000 -0.1371207 0.4082483), wk = 0.0027548 k( 350) = ( 0.5812500 -0.1479460 0.4082483), wk = 0.0027548 k( 351) = ( 0.5750000 -0.1587713 0.4082483), wk = 0.0027548 k( 352) = ( 0.5687500 -0.1695966 0.4082483), wk = 0.0027548 k( 353) = ( 0.5625000 -0.1804220 0.4082483), wk = 0.0027548 k( 354) = ( 0.5562500 -0.1912473 0.4082483), wk = 0.0027548 k( 355) = ( 0.5500000 -0.2020726 0.4082483), wk = 0.0027548 k( 356) = ( 0.5437500 -0.2128979 0.4082483), wk = 0.0027548 k( 357) = ( 0.5375000 -0.2237232 0.4082483), wk = 0.0027548 k( 358) = ( 0.5312500 -0.2345485 0.4082483), wk = 0.0027548 k( 359) = ( 0.5250000 -0.2453739 0.4082483), wk = 0.0027548 k( 360) = ( 0.5187500 -0.2561992 0.4082483), wk = 0.0027548 k( 361) = ( 0.5125000 -0.2670245 0.4082483), wk = 0.0027548 k( 362) = ( 0.5062500 -0.2778498 0.4082483), wk = 0.0027548 k( 363) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0027548 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027548 k( 2) = ( 0.0092593 0.0000000 0.0092593), wk = 0.0027548 k( 3) = ( 0.0185185 0.0000000 0.0185185), wk = 0.0027548 k( 4) = ( 0.0277778 0.0000000 0.0277778), wk = 0.0027548 k( 5) = ( 0.0370370 0.0000000 0.0370370), wk = 0.0027548 k( 6) = ( 0.0462963 -0.0000000 0.0462963), wk = 0.0027548 k( 7) = ( 0.0555556 0.0000000 0.0555556), wk = 0.0027548 k( 8) = ( 0.0648148 0.0000000 0.0648148), wk = 0.0027548 k( 9) = ( 0.0740741 0.0000000 0.0740741), wk = 0.0027548 k( 10) = ( 0.0833333 0.0000000 0.0833333), wk = 0.0027548 k( 11) = ( 0.0925926 0.0000000 0.0925926), wk = 0.0027548 k( 12) = ( 0.1018518 0.0000000 0.1018518), wk = 0.0027548 k( 13) = ( 0.1111111 0.0000000 0.1111111), wk = 0.0027548 k( 14) = ( 0.1203704 -0.0000000 0.1203704), wk = 0.0027548 k( 15) = ( 0.1296296 0.0000000 0.1296296), wk = 0.0027548 k( 16) = ( 0.1388889 0.0000000 0.1388889), wk = 0.0027548 k( 17) = ( 0.1481482 0.0000000 0.1481482), wk = 0.0027548 k( 18) = ( 0.1574074 0.0000000 0.1574074), wk = 0.0027548 k( 19) = ( 0.1666667 0.0000000 0.1666667), wk = 0.0027548 k( 20) = ( 0.1759259 0.0000000 0.1759259), wk = 0.0027548 k( 21) = ( 0.1851852 0.0000000 0.1851852), wk = 0.0027548 k( 22) = ( 0.1944444 0.0000000 0.1944444), wk = 0.0027548 k( 23) = ( 0.2037037 0.0000000 0.2037037), wk = 0.0027548 k( 24) = ( 0.2129630 0.0000000 0.2129630), wk = 0.0027548 k( 25) = ( 0.2222222 0.0000000 0.2222222), wk = 0.0027548 k( 26) = ( 0.2314815 0.0000000 0.2314815), wk = 0.0027548 k( 27) = ( 0.2407407 -0.0000000 0.2407407), wk = 0.0027548 k( 28) = ( 0.2500000 0.0000000 0.2500000), wk = 0.0027548 k( 29) = ( 0.2592593 0.0000000 0.2592593), wk = 0.0027548 k( 30) = ( 0.2685185 0.0000000 0.2685185), wk = 0.0027548 k( 31) = ( 0.2777778 0.0000000 0.2777778), wk = 0.0027548 k( 32) = ( 0.2870370 0.0000000 0.2870370), wk = 0.0027548 k( 33) = ( 0.2962963 0.0000000 0.2962963), wk = 0.0027548 k( 34) = ( 0.3055556 0.0000000 0.3055556), wk = 0.0027548 k( 35) = ( 0.3148148 0.0000000 0.3148148), wk = 0.0027548 k( 36) = ( 0.3240741 0.0000000 0.3240741), wk = 0.0027548 k( 37) = ( 0.3333333 0.0000000 0.3333333), wk = 0.0027548 k( 38) = ( 0.3425926 0.0000000 0.3425926), wk = 0.0027548 k( 39) = ( 0.3518519 0.0000000 0.3518519), wk = 0.0027548 k( 40) = ( 0.3611111 0.0000000 0.3611111), wk = 0.0027548 k( 41) = ( 0.3703704 0.0000000 0.3703704), wk = 0.0027548 k( 42) = ( 0.3796296 0.0000000 0.3796296), wk = 0.0027548 k( 43) = ( 0.3888889 0.0000000 0.3888889), wk = 0.0027548 k( 44) = ( 0.3981481 0.0000000 0.3981481), wk = 0.0027548 k( 45) = ( 0.4074074 0.0000000 0.4074074), wk = 0.0027548 k( 46) = ( 0.4166667 0.0000000 0.4166667), wk = 0.0027548 k( 47) = ( 0.4259259 0.0000000 0.4259259), wk = 0.0027548 k( 48) = ( 0.4351852 0.0000000 0.4351852), wk = 0.0027548 k( 49) = ( 0.4444444 0.0000000 0.4444444), wk = 0.0027548 k( 50) = ( 0.4537037 0.0000000 0.4537037), wk = 0.0027548 k( 51) = ( 0.4629630 0.0000000 0.4629630), wk = 0.0027548 k( 52) = ( 0.4722222 0.0000000 0.4722222), wk = 0.0027548 k( 53) = ( 0.4814815 -0.0000000 0.4814815), wk = 0.0027548 k( 54) = ( 0.4907407 0.0000000 0.4907407), wk = 0.0027548 k( 55) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0027548 k( 56) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0027548 k( 57) = ( 0.5000000 0.0092593 0.5092593), wk = 0.0027548 k( 58) = ( 0.5000000 0.0185185 0.5185185), wk = 0.0027548 k( 59) = ( 0.5000000 0.0277778 0.5277778), wk = 0.0027548 k( 60) = ( 0.5000000 0.0370370 0.5370370), wk = 0.0027548 k( 61) = ( 0.5000000 0.0462963 0.5462963), wk = 0.0027548 k( 62) = ( 0.5000000 0.0555556 0.5555556), wk = 0.0027548 k( 63) = ( 0.5000000 0.0648148 0.5648148), wk = 0.0027548 k( 64) = ( 0.5000000 0.0740741 0.5740741), wk = 0.0027548 k( 65) = ( 0.5000000 0.0833333 0.5833333), wk = 0.0027548 k( 66) = ( 0.5000000 0.0925926 0.5925926), wk = 0.0027548 k( 67) = ( 0.5000000 0.1018519 0.6018518), wk = 0.0027548 k( 68) = ( 0.5000000 0.1111111 0.6111111), wk = 0.0027548 k( 69) = ( 0.5000000 0.1203704 0.6203704), wk = 0.0027548 k( 70) = ( 0.5000000 0.1296296 0.6296296), wk = 0.0027548 k( 71) = ( 0.5000000 0.1388889 0.6388889), wk = 0.0027548 k( 72) = ( 0.5000000 0.1481482 0.6481482), wk = 0.0027548 k( 73) = ( 0.5000000 0.1574074 0.6574074), wk = 0.0027548 k( 74) = ( 0.5000000 0.1666667 0.6666667), wk = 0.0027548 k( 75) = ( 0.5000000 0.1759259 0.6759259), wk = 0.0027548 k( 76) = ( 0.5000000 0.1851852 0.6851852), wk = 0.0027548 k( 77) = ( 0.5000000 0.1944444 0.6944444), wk = 0.0027548 k( 78) = ( 0.5000000 0.2037037 0.7037037), wk = 0.0027548 k( 79) = ( 0.5000000 0.2129630 0.7129630), wk = 0.0027548 k( 80) = ( 0.5000000 0.2222222 0.7222222), wk = 0.0027548 k( 81) = ( 0.5000000 0.2314815 0.7314815), wk = 0.0027548 k( 82) = ( 0.5000000 0.2407407 0.7407407), wk = 0.0027548 k( 83) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0027548 k( 84) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0027548 k( 85) = ( 0.4937500 0.2562500 0.7500000), wk = 0.0027548 k( 86) = ( 0.4875000 0.2625000 0.7500000), wk = 0.0027548 k( 87) = ( 0.4812500 0.2687500 0.7500000), wk = 0.0027548 k( 88) = ( 0.4750000 0.2750000 0.7500000), wk = 0.0027548 k( 89) = ( 0.4687500 0.2812500 0.7500000), wk = 0.0027548 k( 90) = ( 0.4625000 0.2875000 0.7500000), wk = 0.0027548 k( 91) = ( 0.4562500 0.2937500 0.7500000), wk = 0.0027548 k( 92) = ( 0.4500000 0.3000000 0.7500000), wk = 0.0027548 k( 93) = ( 0.4437500 0.3062500 0.7500000), wk = 0.0027548 k( 94) = ( 0.4375000 0.3125000 0.7500000), wk = 0.0027548 k( 95) = ( 0.4312500 0.3187500 0.7500000), wk = 0.0027548 k( 96) = ( 0.4250000 0.3250000 0.7500000), wk = 0.0027548 k( 97) = ( 0.4187500 0.3312500 0.7500000), wk = 0.0027548 k( 98) = ( 0.4125000 0.3375000 0.7500000), wk = 0.0027548 k( 99) = ( 0.4062500 0.3437500 0.7500000), wk = 0.0027548 k( 100) = ( 0.4000000 0.3500000 0.7500000), wk = 0.0027548 k( 101) = ( 0.3937500 0.3562500 0.7500000), wk = 0.0027548 k( 102) = ( 0.3875000 0.3625000 0.7500000), wk = 0.0027548 k( 103) = ( 0.3812500 0.3687500 0.7500000), wk = 0.0027548 k( 104) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0027548 k( 105) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0027548 k( 106) = ( 0.3685345 0.3685345 0.7370690), wk = 0.0027548 k( 107) = ( 0.3620690 0.3620690 0.7241379), wk = 0.0027548 k( 108) = ( 0.3556034 0.3556034 0.7112069), wk = 0.0027548 k( 109) = ( 0.3491379 0.3491379 0.6982759), wk = 0.0027548 k( 110) = ( 0.3426724 0.3426724 0.6853448), wk = 0.0027548 k( 111) = ( 0.3362069 0.3362069 0.6724138), wk = 0.0027548 k( 112) = ( 0.3297414 0.3297414 0.6594828), wk = 0.0027548 k( 113) = ( 0.3232759 0.3232759 0.6465517), wk = 0.0027548 k( 114) = ( 0.3168103 0.3168103 0.6336207), wk = 0.0027548 k( 115) = ( 0.3103448 0.3103448 0.6206897), wk = 0.0027548 k( 116) = ( 0.3038793 0.3038793 0.6077586), wk = 0.0027548 k( 117) = ( 0.2974138 0.2974138 0.5948276), wk = 0.0027548 k( 118) = ( 0.2909483 0.2909483 0.5818965), wk = 0.0027548 k( 119) = ( 0.2844828 0.2844828 0.5689655), wk = 0.0027548 k( 120) = ( 0.2780172 0.2780172 0.5560345), wk = 0.0027548 k( 121) = ( 0.2715517 0.2715517 0.5431035), wk = 0.0027548 k( 122) = ( 0.2650862 0.2650862 0.5301724), wk = 0.0027548 k( 123) = ( 0.2586207 0.2586207 0.5172414), wk = 0.0027548 k( 124) = ( 0.2521552 0.2521552 0.5043103), wk = 0.0027548 k( 125) = ( 0.2456897 0.2456897 0.4913793), wk = 0.0027548 k( 126) = ( 0.2392241 0.2392241 0.4784483), wk = 0.0027548 k( 127) = ( 0.2327586 0.2327586 0.4655172), wk = 0.0027548 k( 128) = ( 0.2262931 0.2262931 0.4525862), wk = 0.0027548 k( 129) = ( 0.2198276 0.2198276 0.4396552), wk = 0.0027548 k( 130) = ( 0.2133621 0.2133621 0.4267241), wk = 0.0027548 k( 131) = ( 0.2068966 0.2068966 0.4137931), wk = 0.0027548 k( 132) = ( 0.2004310 0.2004310 0.4008621), wk = 0.0027548 k( 133) = ( 0.1939655 0.1939655 0.3879310), wk = 0.0027548 k( 134) = ( 0.1875000 0.1875000 0.3750000), wk = 0.0027548 k( 135) = ( 0.1810345 0.1810345 0.3620690), wk = 0.0027548 k( 136) = ( 0.1745690 0.1745690 0.3491379), wk = 0.0027548 k( 137) = ( 0.1681034 0.1681034 0.3362069), wk = 0.0027548 k( 138) = ( 0.1616379 0.1616379 0.3232759), wk = 0.0027548 k( 139) = ( 0.1551724 0.1551724 0.3103448), wk = 0.0027548 k( 140) = ( 0.1487069 0.1487069 0.2974138), wk = 0.0027548 k( 141) = ( 0.1422414 0.1422414 0.2844828), wk = 0.0027548 k( 142) = ( 0.1357759 0.1357759 0.2715517), wk = 0.0027548 k( 143) = ( 0.1293103 0.1293103 0.2586207), wk = 0.0027548 k( 144) = ( 0.1228448 0.1228448 0.2456897), wk = 0.0027548 k( 145) = ( 0.1163793 0.1163793 0.2327586), wk = 0.0027548 k( 146) = ( 0.1099138 0.1099138 0.2198276), wk = 0.0027548 k( 147) = ( 0.1034483 0.1034483 0.2068965), wk = 0.0027548 k( 148) = ( 0.0969828 0.0969828 0.1939655), wk = 0.0027548 k( 149) = ( 0.0905172 0.0905172 0.1810345), wk = 0.0027548 k( 150) = ( 0.0840517 0.0840517 0.1681034), wk = 0.0027548 k( 151) = ( 0.0775862 0.0775862 0.1551724), wk = 0.0027548 k( 152) = ( 0.0711207 0.0711207 0.1422414), wk = 0.0027548 k( 153) = ( 0.0646552 0.0646552 0.1293103), wk = 0.0027548 k( 154) = ( 0.0581897 0.0581897 0.1163793), wk = 0.0027548 k( 155) = ( 0.0517241 0.0517241 0.1034483), wk = 0.0027548 k( 156) = ( 0.0452586 0.0452586 0.0905172), wk = 0.0027548 k( 157) = ( 0.0387931 0.0387931 0.0775862), wk = 0.0027548 k( 158) = ( 0.0323276 0.0323276 0.0646552), wk = 0.0027548 k( 159) = ( 0.0258621 0.0258621 0.0517241), wk = 0.0027548 k( 160) = ( 0.0193965 0.0193965 0.0387931), wk = 0.0027548 k( 161) = ( 0.0129310 0.0129310 0.0258621), wk = 0.0027548 k( 162) = ( 0.0064655 0.0064655 0.0129310), wk = 0.0027548 k( 163) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027548 k( 164) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027548 k( 165) = ( 0.0106383 0.0106383 0.0106383), wk = 0.0027548 k( 166) = ( 0.0212766 0.0212766 0.0212766), wk = 0.0027548 k( 167) = ( 0.0319149 0.0319149 0.0319149), wk = 0.0027548 k( 168) = ( 0.0425532 0.0425532 0.0425532), wk = 0.0027548 k( 169) = ( 0.0531915 0.0531915 0.0531915), wk = 0.0027548 k( 170) = ( 0.0638298 0.0638298 0.0638298), wk = 0.0027548 k( 171) = ( 0.0744681 0.0744681 0.0744681), wk = 0.0027548 k( 172) = ( 0.0851064 0.0851064 0.0851064), wk = 0.0027548 k( 173) = ( 0.0957447 0.0957447 0.0957447), wk = 0.0027548 k( 174) = ( 0.1063830 0.1063830 0.1063830), wk = 0.0027548 k( 175) = ( 0.1170213 0.1170213 0.1170213), wk = 0.0027548 k( 176) = ( 0.1276596 0.1276596 0.1276596), wk = 0.0027548 k( 177) = ( 0.1382979 0.1382979 0.1382979), wk = 0.0027548 k( 178) = ( 0.1489362 0.1489362 0.1489362), wk = 0.0027548 k( 179) = ( 0.1595745 0.1595745 0.1595745), wk = 0.0027548 k( 180) = ( 0.1702128 0.1702128 0.1702128), wk = 0.0027548 k( 181) = ( 0.1808511 0.1808511 0.1808511), wk = 0.0027548 k( 182) = ( 0.1914894 0.1914894 0.1914894), wk = 0.0027548 k( 183) = ( 0.2021277 0.2021277 0.2021277), wk = 0.0027548 k( 184) = ( 0.2127660 0.2127660 0.2127660), wk = 0.0027548 k( 185) = ( 0.2234043 0.2234043 0.2234043), wk = 0.0027548 k( 186) = ( 0.2340425 0.2340425 0.2340425), wk = 0.0027548 k( 187) = ( 0.2446809 0.2446809 0.2446809), wk = 0.0027548 k( 188) = ( 0.2553191 0.2553191 0.2553191), wk = 0.0027548 k( 189) = ( 0.2659574 0.2659574 0.2659574), wk = 0.0027548 k( 190) = ( 0.2765957 0.2765957 0.2765957), wk = 0.0027548 k( 191) = ( 0.2872340 0.2872340 0.2872340), wk = 0.0027548 k( 192) = ( 0.2978723 0.2978723 0.2978723), wk = 0.0027548 k( 193) = ( 0.3085106 0.3085106 0.3085106), wk = 0.0027548 k( 194) = ( 0.3191489 0.3191489 0.3191489), wk = 0.0027548 k( 195) = ( 0.3297872 0.3297872 0.3297872), wk = 0.0027548 k( 196) = ( 0.3404255 0.3404255 0.3404255), wk = 0.0027548 k( 197) = ( 0.3510638 0.3510638 0.3510638), wk = 0.0027548 k( 198) = ( 0.3617021 0.3617021 0.3617021), wk = 0.0027548 k( 199) = ( 0.3723404 0.3723404 0.3723404), wk = 0.0027548 k( 200) = ( 0.3829787 0.3829787 0.3829787), wk = 0.0027548 k( 201) = ( 0.3936170 0.3936170 0.3936170), wk = 0.0027548 k( 202) = ( 0.4042553 0.4042553 0.4042553), wk = 0.0027548 k( 203) = ( 0.4148936 0.4148936 0.4148936), wk = 0.0027548 k( 204) = ( 0.4255319 0.4255319 0.4255319), wk = 0.0027548 k( 205) = ( 0.4361702 0.4361702 0.4361702), wk = 0.0027548 k( 206) = ( 0.4468085 0.4468085 0.4468085), wk = 0.0027548 k( 207) = ( 0.4574468 0.4574468 0.4574468), wk = 0.0027548 k( 208) = ( 0.4680851 0.4680851 0.4680851), wk = 0.0027548 k( 209) = ( 0.4787234 0.4787234 0.4787234), wk = 0.0027548 k( 210) = ( 0.4893617 0.4893617 0.4893617), wk = 0.0027548 k( 211) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0027548 k( 212) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0027548 k( 213) = ( 0.5036765 0.4926471 0.5036765), wk = 0.0027548 k( 214) = ( 0.5073529 0.4852941 0.5073529), wk = 0.0027548 k( 215) = ( 0.5110294 0.4779412 0.5110294), wk = 0.0027548 k( 216) = ( 0.5147059 0.4705882 0.5147059), wk = 0.0027548 k( 217) = ( 0.5183823 0.4632353 0.5183823), wk = 0.0027548 k( 218) = ( 0.5220588 0.4558823 0.5220588), wk = 0.0027548 k( 219) = ( 0.5257353 0.4485294 0.5257353), wk = 0.0027548 k( 220) = ( 0.5294118 0.4411765 0.5294118), wk = 0.0027548 k( 221) = ( 0.5330882 0.4338235 0.5330882), wk = 0.0027548 k( 222) = ( 0.5367647 0.4264706 0.5367647), wk = 0.0027548 k( 223) = ( 0.5404412 0.4191177 0.5404412), wk = 0.0027548 k( 224) = ( 0.5441177 0.4117647 0.5441177), wk = 0.0027548 k( 225) = ( 0.5477941 0.4044118 0.5477941), wk = 0.0027548 k( 226) = ( 0.5514706 0.3970588 0.5514706), wk = 0.0027548 k( 227) = ( 0.5551471 0.3897059 0.5551471), wk = 0.0027548 k( 228) = ( 0.5588235 0.3823529 0.5588235), wk = 0.0027548 k( 229) = ( 0.5625000 0.3750000 0.5625000), wk = 0.0027548 k( 230) = ( 0.5661765 0.3676471 0.5661765), wk = 0.0027548 k( 231) = ( 0.5698529 0.3602941 0.5698529), wk = 0.0027548 k( 232) = ( 0.5735294 0.3529412 0.5735294), wk = 0.0027548 k( 233) = ( 0.5772059 0.3455882 0.5772059), wk = 0.0027548 k( 234) = ( 0.5808823 0.3382353 0.5808823), wk = 0.0027548 k( 235) = ( 0.5845588 0.3308823 0.5845588), wk = 0.0027548 k( 236) = ( 0.5882353 0.3235294 0.5882353), wk = 0.0027548 k( 237) = ( 0.5919118 0.3161765 0.5919118), wk = 0.0027548 k( 238) = ( 0.5955882 0.3088235 0.5955882), wk = 0.0027548 k( 239) = ( 0.5992647 0.3014706 0.5992647), wk = 0.0027548 k( 240) = ( 0.6029412 0.2941177 0.6029412), wk = 0.0027548 k( 241) = ( 0.6066177 0.2867647 0.6066177), wk = 0.0027548 k( 242) = ( 0.6102941 0.2794118 0.6102941), wk = 0.0027548 k( 243) = ( 0.6139706 0.2720588 0.6139706), wk = 0.0027548 k( 244) = ( 0.6176471 0.2647059 0.6176471), wk = 0.0027548 k( 245) = ( 0.6213235 0.2573529 0.6213235), wk = 0.0027548 k( 246) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0027548 k( 247) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0027548 k( 248) = ( 0.6187500 0.2500000 0.6312500), wk = 0.0027548 k( 249) = ( 0.6125000 0.2500000 0.6375000), wk = 0.0027548 k( 250) = ( 0.6062500 0.2500000 0.6437500), wk = 0.0027548 k( 251) = ( 0.6000000 0.2500000 0.6500000), wk = 0.0027548 k( 252) = ( 0.5937500 0.2500000 0.6562500), wk = 0.0027548 k( 253) = ( 0.5875000 0.2500000 0.6625000), wk = 0.0027548 k( 254) = ( 0.5812500 0.2500000 0.6687500), wk = 0.0027548 k( 255) = ( 0.5750000 0.2500000 0.6750000), wk = 0.0027548 k( 256) = ( 0.5687500 0.2500000 0.6812500), wk = 0.0027548 k( 257) = ( 0.5625000 0.2500000 0.6875000), wk = 0.0027548 k( 258) = ( 0.5562500 0.2500000 0.6937500), wk = 0.0027548 k( 259) = ( 0.5500000 0.2500000 0.7000000), wk = 0.0027548 k( 260) = ( 0.5437500 0.2500000 0.7062500), wk = 0.0027548 k( 261) = ( 0.5375000 0.2500000 0.7125000), wk = 0.0027548 k( 262) = ( 0.5312500 0.2500000 0.7187500), wk = 0.0027548 k( 263) = ( 0.5250000 0.2500000 0.7250000), wk = 0.0027548 k( 264) = ( 0.5187500 0.2500000 0.7312500), wk = 0.0027548 k( 265) = ( 0.5125000 0.2500000 0.7375000), wk = 0.0027548 k( 266) = ( 0.5062500 0.2500000 0.7437500), wk = 0.0027548 k( 267) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0027548 k( 268) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0027548 k( 269) = ( 0.5000000 0.2564103 0.7435897), wk = 0.0027548 k( 270) = ( 0.5000000 0.2628205 0.7371795), wk = 0.0027548 k( 271) = ( 0.5000000 0.2692308 0.7307692), wk = 0.0027548 k( 272) = ( 0.5000000 0.2756410 0.7243590), wk = 0.0027548 k( 273) = ( 0.5000000 0.2820513 0.7179487), wk = 0.0027548 k( 274) = ( 0.5000000 0.2884615 0.7115385), wk = 0.0027548 k( 275) = ( 0.5000000 0.2948718 0.7051282), wk = 0.0027548 k( 276) = ( 0.5000000 0.3012821 0.6987180), wk = 0.0027548 k( 277) = ( 0.5000000 0.3076923 0.6923077), wk = 0.0027548 k( 278) = ( 0.5000000 0.3141026 0.6858974), wk = 0.0027548 k( 279) = ( 0.5000000 0.3205128 0.6794872), wk = 0.0027548 k( 280) = ( 0.5000000 0.3269231 0.6730769), wk = 0.0027548 k( 281) = ( 0.5000000 0.3333333 0.6666667), wk = 0.0027548 k( 282) = ( 0.5000000 0.3397436 0.6602564), wk = 0.0027548 k( 283) = ( 0.5000000 0.3461538 0.6538461), wk = 0.0027548 k( 284) = ( 0.5000000 0.3525641 0.6474359), wk = 0.0027548 k( 285) = ( 0.5000000 0.3589744 0.6410256), wk = 0.0027548 k( 286) = ( 0.5000000 0.3653846 0.6346154), wk = 0.0027548 k( 287) = ( 0.5000000 0.3717949 0.6282051), wk = 0.0027548 k( 288) = ( 0.5000000 0.3782051 0.6217949), wk = 0.0027548 k( 289) = ( 0.5000000 0.3846154 0.6153846), wk = 0.0027548 k( 290) = ( 0.5000000 0.3910256 0.6089744), wk = 0.0027548 k( 291) = ( 0.5000000 0.3974359 0.6025641), wk = 0.0027548 k( 292) = ( 0.5000000 0.4038462 0.5961538), wk = 0.0027548 k( 293) = ( 0.5000000 0.4102564 0.5897436), wk = 0.0027548 k( 294) = ( 0.5000000 0.4166667 0.5833333), wk = 0.0027548 k( 295) = ( 0.5000000 0.4230769 0.5769231), wk = 0.0027548 k( 296) = ( 0.5000000 0.4294872 0.5705128), wk = 0.0027548 k( 297) = ( 0.5000000 0.4358974 0.5641026), wk = 0.0027548 k( 298) = ( 0.5000000 0.4423077 0.5576923), wk = 0.0027548 k( 299) = ( 0.5000000 0.4487180 0.5512820), wk = 0.0027548 k( 300) = ( 0.5000000 0.4551282 0.5448718), wk = 0.0027548 k( 301) = ( 0.5000000 0.4615385 0.5384615), wk = 0.0027548 k( 302) = ( 0.5000000 0.4679487 0.5320513), wk = 0.0027548 k( 303) = ( 0.5000000 0.4743590 0.5256410), wk = 0.0027548 k( 304) = ( 0.5000000 0.4807692 0.5192308), wk = 0.0027548 k( 305) = ( 0.5000000 0.4871795 0.5128205), wk = 0.0027548 k( 306) = ( 0.5000000 0.4935897 0.5064103), wk = 0.0027548 k( 307) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0027548 k( 308) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0027548 k( 309) = ( 0.4963235 0.4963235 0.5073529), wk = 0.0027548 k( 310) = ( 0.4926471 0.4926471 0.5147059), wk = 0.0027548 k( 311) = ( 0.4889706 0.4889706 0.5220588), wk = 0.0027548 k( 312) = ( 0.4852941 0.4852941 0.5294118), wk = 0.0027548 k( 313) = ( 0.4816177 0.4816177 0.5367647), wk = 0.0027548 k( 314) = ( 0.4779412 0.4779412 0.5441177), wk = 0.0027548 k( 315) = ( 0.4742647 0.4742647 0.5514706), wk = 0.0027548 k( 316) = ( 0.4705882 0.4705882 0.5588235), wk = 0.0027548 k( 317) = ( 0.4669118 0.4669118 0.5661765), wk = 0.0027548 k( 318) = ( 0.4632353 0.4632353 0.5735294), wk = 0.0027548 k( 319) = ( 0.4595588 0.4595588 0.5808823), wk = 0.0027548 k( 320) = ( 0.4558823 0.4558823 0.5882353), wk = 0.0027548 k( 321) = ( 0.4522059 0.4522059 0.5955882), wk = 0.0027548 k( 322) = ( 0.4485294 0.4485294 0.6029412), wk = 0.0027548 k( 323) = ( 0.4448529 0.4448529 0.6102941), wk = 0.0027548 k( 324) = ( 0.4411765 0.4411765 0.6176471), wk = 0.0027548 k( 325) = ( 0.4375000 0.4375000 0.6250000), wk = 0.0027548 k( 326) = ( 0.4338235 0.4338235 0.6323529), wk = 0.0027548 k( 327) = ( 0.4301471 0.4301471 0.6397059), wk = 0.0027548 k( 328) = ( 0.4264706 0.4264706 0.6470588), wk = 0.0027548 k( 329) = ( 0.4227941 0.4227941 0.6544118), wk = 0.0027548 k( 330) = ( 0.4191177 0.4191177 0.6617647), wk = 0.0027548 k( 331) = ( 0.4154412 0.4154412 0.6691177), wk = 0.0027548 k( 332) = ( 0.4117647 0.4117647 0.6764706), wk = 0.0027548 k( 333) = ( 0.4080882 0.4080882 0.6838235), wk = 0.0027548 k( 334) = ( 0.4044118 0.4044118 0.6911765), wk = 0.0027548 k( 335) = ( 0.4007353 0.4007353 0.6985294), wk = 0.0027548 k( 336) = ( 0.3970588 0.3970588 0.7058823), wk = 0.0027548 k( 337) = ( 0.3933823 0.3933823 0.7132353), wk = 0.0027548 k( 338) = ( 0.3897059 0.3897059 0.7205882), wk = 0.0027548 k( 339) = ( 0.3860294 0.3860294 0.7279412), wk = 0.0027548 k( 340) = ( 0.3823529 0.3823529 0.7352941), wk = 0.0027548 k( 341) = ( 0.3786765 0.3786765 0.7426471), wk = 0.0027548 k( 342) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0027548 k( 343) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0027548 k( 344) = ( 0.6187500 0.2375000 0.6187500), wk = 0.0027548 k( 345) = ( 0.6125000 0.2250000 0.6125000), wk = 0.0027548 k( 346) = ( 0.6062500 0.2125000 0.6062500), wk = 0.0027548 k( 347) = ( 0.6000000 0.2000000 0.6000000), wk = 0.0027548 k( 348) = ( 0.5937500 0.1875000 0.5937500), wk = 0.0027548 k( 349) = ( 0.5875000 0.1750000 0.5875000), wk = 0.0027548 k( 350) = ( 0.5812500 0.1625000 0.5812500), wk = 0.0027548 k( 351) = ( 0.5750000 0.1500000 0.5750000), wk = 0.0027548 k( 352) = ( 0.5687500 0.1375000 0.5687500), wk = 0.0027548 k( 353) = ( 0.5625000 0.1250000 0.5625000), wk = 0.0027548 k( 354) = ( 0.5562500 0.1125000 0.5562500), wk = 0.0027548 k( 355) = ( 0.5500000 0.1000000 0.5500000), wk = 0.0027548 k( 356) = ( 0.5437500 0.0875000 0.5437500), wk = 0.0027548 k( 357) = ( 0.5375000 0.0750000 0.5375000), wk = 0.0027548 k( 358) = ( 0.5312500 0.0625000 0.5312500), wk = 0.0027548 k( 359) = ( 0.5250000 0.0500000 0.5250000), wk = 0.0027548 k( 360) = ( 0.5187500 0.0375000 0.5187500), wk = 0.0027548 k( 361) = ( 0.5125000 0.0250000 0.5125000), wk = 0.0027548 k( 362) = ( 0.5062500 0.0125000 0.5062500), wk = 0.0027548 k( 363) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0027548 Dense grid: 20395 G-vectors FFT dimensions: ( 40, 40, 40) Smooth grid: 14067 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 ( 566) G-vector shells 0.00 Mb ( 208) 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 : ./AlCu3.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 2.0 secs Computing kpt #: 2 total cpu time spent up to now is 2.3 secs Computing kpt #: 3 total cpu time spent up to now is 2.5 secs Computing kpt #: 4 total cpu time spent up to now is 2.7 secs Computing kpt #: 5 total cpu time spent up to now is 2.9 secs Computing kpt #: 6 total cpu time spent up to now is 3.2 secs Computing kpt #: 7 total cpu time spent up to now is 3.4 secs Computing kpt #: 8 total cpu time spent up to now is 3.7 secs Computing kpt #: 9 total cpu time spent up to now is 3.9 secs Computing kpt #: 10 total cpu time spent up to now is 4.1 secs Computing kpt #: 11 total cpu time spent up to now is 4.4 secs Computing kpt #: 12 total cpu time spent up to now is 4.9 secs Computing kpt #: 13 total cpu time spent up to now is 5.1 secs Computing kpt #: 14 total cpu time spent up to now is 5.4 secs Computing kpt #: 15 total cpu time spent up to now is 5.6 secs Computing kpt #: 16 total cpu time spent up to now is 5.9 secs Computing kpt #: 17 total cpu time spent up to now is 6.1 secs Computing kpt #: 18 total cpu time spent up to now is 6.4 secs Computing kpt #: 19 total cpu time spent up to now is 6.7 secs Computing kpt #: 20 total cpu time spent up to now is 7.1 secs Computing kpt #: 21 total cpu time spent up to now is 7.4 secs Computing kpt #: 22 total cpu time spent up to now is 7.7 secs Computing kpt #: 23 total cpu time spent up to now is 8.0 secs Computing kpt #: 24 total cpu time spent up to now is 8.2 secs Computing kpt #: 25 total cpu time spent up to now is 8.5 secs Computing kpt #: 26 total cpu time spent up to now is 8.8 secs Computing kpt #: 27 total cpu time spent up to now is 9.1 secs Computing kpt #: 28 total cpu time spent up to now is 9.3 secs Computing kpt #: 29 total cpu time spent up to now is 9.6 secs Computing kpt #: 30 total cpu time spent up to now is 9.9 secs Computing kpt #: 31 total cpu time spent up to now is 10.1 secs Computing kpt #: 32 total cpu time spent up to now is 10.3 secs Computing kpt #: 33 total cpu time spent up to now is 10.5 secs Computing kpt #: 34 total cpu 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Computing kpt #: 50 total cpu time spent up to now is 15.0 secs Computing kpt #: 51 total cpu time spent up to now is 15.3 secs Computing kpt #: 52 total cpu time spent up to now is 15.7 secs Computing kpt #: 53 total cpu time spent up to now is 16.1 secs Computing kpt #: 54 total cpu time spent up to now is 16.5 secs Computing kpt #: 55 total cpu time spent up to now is 16.9 secs Computing kpt #: 56 total cpu time spent up to now is 17.4 secs Computing kpt #: 57 total cpu time spent up to now is 17.8 secs Computing kpt #: 58 total cpu time spent up to now is 18.3 secs Computing kpt #: 59 total cpu time spent up to now is 18.7 secs Computing kpt #: 60 total cpu time spent up to now is 19.1 secs Computing kpt #: 61 total cpu time spent up to now is 19.5 secs Computing kpt #: 62 total cpu time spent up to now is 19.9 secs Computing kpt #: 63 total cpu time spent up to now is 20.2 secs Computing kpt #: 64 total cpu time spent up to now is 20.5 secs Computing kpt #: 65 total cpu time spent up to now is 20.9 secs Computing kpt #: 66 total cpu time spent up to now is 21.2 secs Computing kpt #: 67 total cpu time spent up to now is 21.4 secs Computing kpt #: 68 total cpu time spent up to now is 21.7 secs Computing kpt #: 69 total cpu time spent up to now is 22.0 secs Computing kpt #: 70 total cpu time spent up to now is 22.2 secs Computing kpt #: 71 total cpu time spent up to now is 22.5 secs Computing kpt #: 72 total cpu time spent up to now is 22.7 secs Computing kpt #: 73 total cpu time spent up to now is 22.9 secs Computing kpt #: 74 total cpu time spent up to now is 23.1 secs Computing kpt #: 75 total cpu time spent up to now is 23.4 secs Computing kpt #: 76 total cpu time spent up to now is 23.6 secs Computing kpt #: 77 total cpu time spent up to now is 23.8 secs Computing kpt #: 78 total cpu time spent up to now is 24.0 secs Computing kpt #: 79 total cpu time spent up to now is 24.2 secs Computing kpt #: 80 total cpu time spent up to now is 24.4 secs Computing kpt #: 81 total cpu time spent up to now is 24.7 secs Computing kpt #: 82 total cpu time spent up to now is 24.9 secs Computing kpt #: 83 total cpu time spent up to now is 25.1 secs Computing kpt #: 84 total cpu time spent up to now is 25.3 secs Computing kpt #: 85 total cpu time spent up to now is 25.5 secs Computing kpt #: 86 total cpu time spent up to now is 25.7 secs Computing kpt #: 87 total cpu time spent up to now is 26.0 secs Computing kpt #: 88 total cpu time spent up to now is 26.2 secs Computing kpt #: 89 total cpu time spent up to now is 26.4 secs Computing kpt #: 90 total cpu time spent up to now is 26.6 secs Computing kpt #: 91 total cpu time spent up to now is 26.9 secs Computing kpt #: 92 total cpu time spent up to now is 27.2 secs Computing kpt #: 93 total cpu time spent up to now is 27.7 secs Computing kpt #: 94 total cpu time spent up to now is 28.0 secs Computing kpt #: 95 total cpu time spent up to now is 28.2 secs Computing kpt #: 96 total cpu time spent up to now is 28.5 secs Computing kpt #: 97 total cpu time spent up to now is 28.9 secs Computing kpt #: 98 total cpu time spent up to now is 29.1 secs Computing kpt #: 99 total cpu time spent up to now is 29.5 secs Computing kpt #: 100 total cpu time spent up to now is 29.8 secs Computing kpt #: 101 total cpu time spent up to now is 30.1 secs Computing kpt #: 102 total cpu time spent up to now is 30.5 secs Computing kpt #: 103 total cpu time spent up to now is 30.8 secs Computing kpt #: 104 total cpu time spent up to now is 31.1 secs Computing kpt #: 105 total cpu time spent up to now is 31.5 secs Computing kpt #: 106 total cpu time spent up to now is 31.8 secs Computing kpt #: 107 total cpu time spent up to now is 32.1 secs Computing kpt #: 108 total cpu time spent up to now is 32.5 secs Computing kpt #: 109 total cpu time spent up to now is 32.8 secs Computing kpt #: 110 total cpu time spent up to now is 33.1 secs Computing kpt #: 111 total cpu time spent up to now is 33.4 secs Computing kpt #: 112 total cpu time spent up to now is 33.8 secs Computing kpt #: 113 total cpu time spent up to now is 34.0 secs Computing kpt #: 114 total cpu time spent up to now is 34.3 secs Computing kpt #: 115 total cpu time spent up to now is 34.7 secs Computing kpt #: 116 total cpu time spent up to now is 35.1 secs Computing kpt #: 117 total cpu time spent up to now is 35.4 secs Computing kpt #: 118 total cpu time spent up to now is 35.7 secs Computing kpt #: 119 total cpu time spent up to now is 35.9 secs Computing kpt #: 120 total cpu time spent up to now is 36.2 secs Computing kpt #: 121 total cpu time spent up to now is 36.4 secs Computing kpt #: 122 total cpu time spent up to now is 36.7 secs Computing kpt #: 123 total cpu time spent up to now is 36.9 secs Computing kpt #: 124 total cpu time spent up to now is 37.2 secs Computing kpt #: 125 total cpu time spent up to now is 37.4 secs Computing kpt #: 126 total cpu time spent up to now is 37.7 secs Computing kpt #: 127 total cpu time spent up to now is 37.9 secs Computing kpt #: 128 total cpu time spent up to now is 38.2 secs Computing kpt #: 129 total cpu time spent up to now is 38.4 secs Computing kpt #: 130 total cpu time spent up to now is 38.7 secs Computing kpt #: 131 total cpu time spent up to now is 38.9 secs Computing kpt #: 132 total cpu time spent up to now is 39.2 secs Computing kpt #: 133 total cpu time spent up to now is 39.4 secs Computing kpt #: 134 total cpu time spent up to now is 39.7 secs Computing kpt #: 135 total cpu time spent up to now is 39.9 secs Computing kpt #: 136 total cpu time spent up to now is 40.1 secs Computing kpt #: 137 total cpu time spent up to now is 40.3 secs Computing kpt #: 138 total cpu time spent up to now is 40.5 secs Computing kpt #: 139 total cpu time spent up to now is 40.8 secs Computing kpt #: 140 total cpu time spent up to now is 41.0 secs Computing kpt #: 141 total cpu time spent up to now is 41.3 secs Computing kpt #: 142 total cpu time spent up to now is 41.5 secs Computing kpt #: 143 total cpu time spent up to now is 41.8 secs Computing kpt #: 144 total cpu time spent up to now is 42.0 secs Computing kpt #: 145 total cpu time spent up to now is 42.3 secs Computing kpt #: 146 total cpu time spent up to now is 42.5 secs Computing kpt #: 147 total cpu time spent up to now is 42.7 secs Computing kpt #: 148 total cpu time spent up to now is 43.0 secs Computing kpt #: 149 total cpu time spent up to now is 43.2 secs Computing kpt #: 150 total cpu time spent up to now is 43.4 secs Computing kpt #: 151 total cpu time spent up to now is 43.6 secs Computing kpt #: 152 total cpu time spent up to now is 43.8 secs Computing kpt #: 153 total cpu time spent up to now is 44.0 secs Computing kpt #: 154 total cpu time spent up to now is 44.2 secs Computing kpt #: 155 total cpu time spent up to now is 44.5 secs Computing kpt #: 156 total cpu time spent up to now is 44.7 secs Computing kpt #: 157 total cpu time spent up to now is 44.9 secs Computing kpt #: 158 total cpu time spent up to now is 45.1 secs Computing kpt #: 159 total cpu time spent up to now is 45.3 secs Computing kpt #: 160 total cpu time spent up to now is 45.5 secs Computing kpt #: 161 total cpu time spent up to now is 45.8 secs Computing kpt #: 162 total cpu time spent up to now is 46.0 secs Computing kpt #: 163 total cpu time spent up to now is 46.2 secs Computing kpt #: 164 total cpu time spent up to now is 46.4 secs Computing kpt #: 165 total cpu time spent up to now is 46.6 secs Computing kpt #: 166 total cpu time spent up to now is 46.9 secs Computing kpt #: 167 total cpu time spent up to now is 47.1 secs Computing kpt #: 168 total cpu time spent up to now is 47.3 secs Computing kpt #: 169 total cpu time spent up to now is 47.5 secs Computing kpt #: 170 total cpu time spent up to now is 47.8 secs Computing kpt #: 171 total cpu time spent up to now is 48.0 secs Computing kpt #: 172 total cpu time spent up to now is 48.2 secs Computing kpt #: 173 total cpu time spent up to now is 48.4 secs Computing kpt #: 174 total cpu time spent up to now is 48.6 secs Computing kpt #: 175 total cpu time spent up to now is 48.9 secs Computing kpt #: 176 total cpu time spent up to now is 49.1 secs Computing kpt #: 177 total cpu time spent up to now is 49.3 secs Computing kpt #: 178 total cpu time spent up to now is 49.5 secs Computing kpt #: 179 total cpu time spent up to now is 49.7 secs Computing kpt #: 180 total cpu time spent up to now is 49.9 secs Computing kpt #: 181 total cpu time spent up to now is 50.1 secs Computing kpt #: 182 total cpu time spent up to now is 50.3 secs Computing kpt #: 183 total cpu time spent up to now is 50.5 secs Computing kpt #: 184 total cpu time spent up to now is 50.7 secs Computing kpt #: 185 total cpu time spent up to now is 50.9 secs Computing kpt #: 186 total cpu time spent up to now is 51.1 secs Computing kpt #: 187 total cpu time spent up to now is 51.3 secs Computing kpt #: 188 total cpu time spent up to now is 51.5 secs Computing kpt #: 189 total cpu time spent up to now is 51.7 secs Computing kpt #: 190 total cpu time spent up to now is 51.9 secs Computing kpt #: 191 total cpu time spent up to now is 52.1 secs Computing kpt #: 192 total cpu time spent up to now is 52.3 secs Computing kpt #: 193 total cpu time spent up to now is 52.5 secs Computing kpt #: 194 total cpu time spent up to now is 52.7 secs Computing kpt #: 195 total cpu time spent up to now is 52.9 secs Computing kpt #: 196 total cpu time spent up to now is 53.1 secs Computing kpt #: 197 total cpu time spent up to now is 53.3 secs Computing kpt #: 198 total cpu time spent up to now is 53.5 secs Computing kpt #: 199 total cpu time spent up to now is 53.7 secs Computing kpt #: 200 total cpu time spent up to now is 53.8 secs Computing kpt #: 201 total cpu time spent up to now is 54.0 secs Computing kpt #: 202 total cpu time spent up to now is 54.2 secs Computing kpt #: 203 total cpu time spent up to now is 54.4 secs Computing kpt #: 204 total cpu time spent up to now is 54.6 secs Computing kpt #: 205 total cpu time spent up to now is 54.8 secs Computing kpt #: 206 total cpu time spent up to now is 54.9 secs Computing kpt #: 207 total cpu time spent up to now is 55.1 secs Computing kpt #: 208 total cpu time spent up to now is 55.3 secs Computing kpt #: 209 total cpu time spent up to now is 55.4 secs Computing kpt #: 210 total cpu time spent up to now is 55.6 secs Computing kpt #: 211 total cpu time spent up to now is 55.8 secs Computing kpt #: 212 total cpu time spent up to now is 55.9 secs Computing kpt #: 213 total cpu time spent up to now is 56.1 secs Computing kpt #: 214 total cpu time spent up to now is 56.3 secs Computing kpt #: 215 total cpu time spent up to now is 56.5 secs Computing kpt #: 216 total cpu time spent up to now is 56.6 secs Computing kpt #: 217 total cpu time spent up to now is 56.8 secs Computing kpt #: 218 total cpu time spent up to now is 57.0 secs Computing kpt #: 219 total cpu time spent up to now is 57.2 secs Computing kpt #: 220 total cpu time spent up to now is 57.4 secs Computing kpt #: 221 total cpu time spent up to now is 57.6 secs Computing kpt #: 222 total cpu time spent up to now is 57.7 secs Computing kpt #: 223 total cpu time spent up to now is 57.9 secs Computing kpt #: 224 total cpu time spent up to now is 58.1 secs Computing kpt #: 225 total cpu time spent up to now is 58.3 secs Computing kpt #: 226 total cpu time spent up to now is 58.5 secs Computing kpt #: 227 total cpu time spent up to now is 58.6 secs Computing kpt #: 228 total cpu time spent up to now is 58.8 secs Computing kpt #: 229 total cpu time spent up to now is 59.0 secs Computing kpt #: 230 total cpu time spent up to now is 59.2 secs Computing kpt #: 231 total cpu time spent up to now is 59.4 secs Computing kpt #: 232 total cpu time spent up to now is 59.6 secs Computing kpt #: 233 total cpu time spent up to now is 59.8 secs Computing kpt #: 234 total cpu time spent up to now is 60.0 secs Computing kpt #: 235 total cpu time spent up to now is 60.2 secs Computing kpt #: 236 total cpu time spent up to now is 60.5 secs Computing kpt #: 237 total cpu time spent up to now is 60.7 secs Computing kpt #: 238 total cpu time spent up to now is 61.0 secs Computing kpt #: 239 total cpu time spent up to now is 61.3 secs Computing kpt #: 240 total cpu time spent up to now is 61.6 secs Computing kpt #: 241 total cpu time spent up to now is 61.8 secs Computing kpt #: 242 total cpu time spent up to now is 62.1 secs Computing kpt #: 243 total cpu time spent up to now is 62.4 secs Computing kpt #: 244 total cpu time spent up to now is 62.7 secs Computing kpt #: 245 total cpu time spent up to now is 63.1 secs Computing kpt #: 246 total cpu time spent up to now is 63.4 secs Computing kpt #: 247 total cpu time spent up to now is 63.7 secs Computing kpt #: 248 total cpu time spent up to now is 64.0 secs Computing kpt #: 249 total cpu time spent up to now is 64.3 secs Computing kpt #: 250 total cpu time spent up to now is 64.7 secs Computing kpt #: 251 total cpu time spent up to now is 65.0 secs Computing kpt #: 252 total cpu time spent up to now is 65.2 secs Computing kpt #: 253 total cpu time spent up to now is 65.5 secs Computing kpt #: 254 total cpu time spent up to now is 65.8 secs Computing kpt #: 255 total cpu time spent up to now is 66.2 secs Computing kpt #: 256 total cpu time spent up to now is 66.5 secs Computing kpt #: 257 total cpu time spent up to now is 66.7 secs Computing kpt #: 258 total cpu time spent up to now is 67.0 secs Computing kpt #: 259 total cpu time spent up to now is 67.4 secs Computing kpt #: 260 total cpu time spent up to now is 67.7 secs Computing kpt #: 261 total cpu time spent up to now is 67.9 secs Computing kpt #: 262 total cpu time spent up to now is 68.1 secs Computing kpt #: 263 total cpu time spent up to now is 68.3 secs Computing kpt #: 264 total cpu time spent up to now is 68.6 secs Computing kpt #: 265 total cpu time spent up to now is 68.8 secs Computing kpt #: 266 total cpu time spent up to now is 69.0 secs Computing kpt #: 267 total cpu time spent up to now is 69.2 secs Computing kpt #: 268 total cpu time spent up to now is 69.4 secs Computing kpt #: 269 total cpu time spent up to now is 69.7 secs Computing kpt #: 270 total cpu time spent up to now is 69.9 secs Computing kpt #: 271 total cpu time spent up to now is 70.2 secs Computing kpt #: 272 total cpu time spent up to now is 70.4 secs Computing kpt #: 273 total cpu time spent up to now is 70.6 secs Computing kpt #: 274 total cpu time spent up to now is 70.8 secs Computing kpt #: 275 total cpu time spent up to now is 71.0 secs Computing kpt #: 276 total cpu time spent up to now is 71.2 secs Computing kpt #: 277 total cpu time spent up to now is 71.4 secs Computing kpt #: 278 total cpu time spent up to now is 71.6 secs Computing kpt #: 279 total cpu time spent up to now is 71.8 secs Computing kpt #: 280 total cpu time spent up to now is 72.0 secs Computing kpt #: 281 total cpu time spent up to now is 72.3 secs Computing kpt #: 282 total cpu time spent up to now is 72.5 secs Computing kpt #: 283 total cpu time spent up to now is 72.8 secs Computing kpt #: 284 total cpu time spent up to now is 73.2 secs Computing kpt #: 285 total cpu time spent up to now is 73.6 secs Computing kpt #: 286 total cpu time spent up to now is 73.8 secs Computing kpt #: 287 total cpu time spent up to now is 74.0 secs Computing kpt #: 288 total cpu time spent up to now is 74.2 secs Computing kpt #: 289 total cpu time spent up to now is 74.3 secs Computing kpt #: 290 total cpu time spent up to now is 74.5 secs Computing kpt #: 291 total cpu time spent up to now is 74.7 secs Computing kpt #: 292 total cpu time spent up to now is 74.9 secs Computing kpt #: 293 total cpu time spent up to now is 75.1 secs Computing kpt #: 294 total cpu time spent up to now is 75.2 secs Computing kpt #: 295 total cpu time spent up to now is 75.4 secs Computing kpt #: 296 total cpu time spent up to now is 75.6 secs Computing kpt #: 297 total cpu time spent up to now is 75.8 secs Computing kpt #: 298 total cpu time spent up to now is 75.9 secs Computing kpt #: 299 total cpu time spent up to now is 76.1 secs Computing kpt #: 300 total cpu time spent up to now is 76.3 secs Computing kpt #: 301 total cpu time spent up to now is 76.5 secs Computing kpt #: 302 total cpu time spent up to now is 76.7 secs Computing kpt #: 303 total cpu time spent up to now is 76.8 secs Computing kpt #: 304 total cpu time spent up to now is 77.0 secs Computing kpt #: 305 total cpu time spent up to now is 77.2 secs Computing kpt #: 306 total cpu time spent up to now is 77.4 secs Computing kpt #: 307 total cpu time spent up to now is 77.5 secs Computing kpt #: 308 total cpu time spent up to now is 77.7 secs Computing kpt #: 309 total cpu time spent up to now is 77.9 secs Computing kpt #: 310 total cpu time spent up to now is 78.0 secs Computing kpt #: 311 total cpu time spent up to now is 78.2 secs Computing kpt #: 312 total cpu time spent up to now is 78.4 secs Computing kpt #: 313 total cpu time spent up to now is 78.6 secs Computing kpt #: 314 total cpu time spent up to now is 78.7 secs Computing kpt #: 315 total cpu time spent up to now is 78.9 secs Computing kpt #: 316 total cpu time spent up to now is 79.1 secs Computing kpt #: 317 total cpu time spent up to now is 79.3 secs Computing kpt #: 318 total cpu time spent up to now is 79.5 secs Computing kpt #: 319 total cpu time spent up to now is 79.7 secs Computing kpt #: 320 total cpu time spent up to now is 79.9 secs Computing kpt #: 321 total cpu time spent up to now is 80.0 secs Computing kpt #: 322 total cpu time spent up to now is 80.2 secs Computing kpt #: 323 total cpu time spent up to now is 80.4 secs Computing kpt #: 324 total cpu time spent up to now is 80.6 secs Computing kpt #: 325 total cpu time spent up to now is 80.8 secs Computing kpt #: 326 total cpu time spent up to now is 81.0 secs Computing kpt #: 327 total cpu time spent up to now is 81.2 secs Computing kpt #: 328 total cpu time spent up to now is 81.4 secs Computing kpt #: 329 total cpu time spent up to now is 81.5 secs Computing kpt #: 330 total cpu time spent up to now is 81.7 secs Computing kpt #: 331 total cpu time spent up to now is 82.0 secs Computing kpt #: 332 total cpu time spent up to now is 82.2 secs Computing kpt #: 333 total cpu time spent up to now is 82.5 secs Computing kpt #: 334 total cpu time spent up to now is 82.8 secs Computing kpt #: 335 total cpu time spent up to now is 83.0 secs Computing kpt #: 336 total cpu time spent up to now is 83.3 secs Computing kpt #: 337 total cpu time spent up to now is 83.6 secs Computing kpt #: 338 total cpu time spent up to now is 83.9 secs Computing kpt #: 339 total cpu time spent up to now is 84.1 secs Computing kpt #: 340 total cpu time spent up to now is 84.4 secs Computing kpt #: 341 total cpu time spent up to now is 84.8 secs Computing kpt #: 342 total cpu time spent up to now is 85.1 secs Computing kpt #: 343 total cpu time spent up to now is 85.4 secs Computing kpt #: 344 total cpu time spent up to now is 85.7 secs Computing kpt #: 345 total cpu time spent up to now is 86.0 secs Computing kpt #: 346 total cpu time spent up to now is 86.3 secs Computing kpt #: 347 total cpu time spent up to now is 86.6 secs Computing kpt #: 348 total cpu time spent up to now is 87.0 secs Computing kpt #: 349 total cpu time spent up to now is 87.4 secs Computing kpt #: 350 total cpu time spent up to now is 87.8 secs Computing kpt #: 351 total cpu time spent up to now is 88.2 secs Computing kpt #: 352 total cpu time spent up to now is 88.6 secs Computing kpt #: 353 total cpu time spent up to now is 89.1 secs Computing kpt #: 354 total cpu time spent up to now is 89.6 secs Computing kpt #: 355 total cpu time spent up to now is 90.1 secs Computing kpt #: 356 total cpu time spent up to now is 90.6 secs Computing kpt #: 357 total cpu time spent up to now is 91.2 secs Computing kpt #: 358 total cpu time spent up to now is 91.6 secs Computing kpt #: 359 total cpu time spent up to now is 92.0 secs Computing kpt #: 360 total cpu time spent up to now is 92.5 secs Computing kpt #: 361 total cpu time spent up to now is 92.9 secs Computing kpt #: 362 total cpu time spent up to now is 93.4 secs Computing kpt #: 363 total cpu time spent up to now is 93.8 secs ethr = 2.78E-08, avg # of iterations = 21.9 total cpu time spent up to now is 93.8 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 1807 PWs) bands (ev): 1.5530 1.5530 7.4323 7.4323 7.4323 7.4323 7.4731 7.4731 7.4731 7.4731 7.5879 7.5879 8.2816 8.2816 8.2816 8.2816 8.4302 8.4302 9.2755 9.2755 9.2755 9.2755 9.4284 9.4284 9.4893 9.4893 9.4893 9.4893 9.6198 9.6198 9.6198 9.6198 15.6917 15.6917 15.7873 15.7873 15.7873 15.7873 16.0903 16.0903 16.0903 16.0903 16.0947 16.0947 k = 0.0093-0.0053 0.0076 ( 1807 PWs) bands (ev): 1.5546 1.5546 7.4288 7.4288 7.4327 7.4327 7.4736 7.4736 7.4759 7.4759 7.5884 7.5884 8.2813 8.2813 8.2818 8.2818 8.4302 8.4302 9.2741 9.2741 9.2749 9.2749 9.4259 9.4259 9.4892 9.4892 9.4918 9.4918 9.6195 9.6195 9.6199 9.6199 15.6570 15.6570 15.7332 15.7332 15.7683 15.7683 16.0775 16.0775 16.1375 16.1375 16.1464 16.1464 k = 0.0185-0.0107 0.0151 ( 1807 PWs) bands (ev): 1.5593 1.5593 7.4200 7.4200 7.4341 7.4341 7.4750 7.4750 7.4826 7.4826 7.5898 7.5898 8.2803 8.2803 8.2826 8.2826 8.4299 8.4299 9.2699 9.2699 9.2731 9.2731 9.4194 9.4194 9.4891 9.4891 9.4982 9.4982 9.6187 9.6187 9.6201 9.6201 15.5635 15.5635 15.6214 15.6214 15.7400 15.7400 16.0378 16.0378 16.2400 16.2400 16.2550 16.2550 k = 0.0278-0.0160 0.0227 ( 1799 PWs) bands (ev): 1.5671 1.5671 7.4086 7.4086 7.4364 7.4364 7.4774 7.4774 7.4909 7.4909 7.5921 7.5921 8.2787 8.2787 8.2838 8.2838 8.4296 8.4296 9.2632 9.2632 9.2703 9.2703 9.4109 9.4109 9.4889 9.4889 9.5068 9.5068 9.6173 9.6173 9.6204 9.6204 15.4433 15.4433 15.4929 15.4929 15.7084 15.7084 15.9789 15.9789 16.3603 16.3603 16.3783 16.3783 k = 0.0370-0.0214 0.0302 ( 1799 PWs) bands (ev): 1.5780 1.5780 7.3950 7.3950 7.4395 7.4395 7.4807 7.4807 7.4996 7.4996 7.5953 7.5953 8.2764 8.2764 8.2855 8.2855 8.4293 8.4293 9.2539 9.2539 9.2662 9.2662 9.4010 9.4010 9.4887 9.4887 9.5163 9.5163 9.6154 9.6154 9.6209 9.6209 15.3134 15.3134 15.3586 15.3586 15.6699 15.6699 15.9075 15.9075 16.4864 16.4864 16.5052 16.5052 k = 0.0463-0.0267 0.0378 ( 1787 PWs) bands (ev): 1.5921 1.5921 7.3800 7.3800 7.4439 7.4439 7.4849 7.4849 7.5087 7.5087 7.5993 7.5993 8.2731 8.2731 8.2877 8.2877 8.4289 8.4289 9.2427 9.2427 9.2611 9.2611 9.3907 9.3907 9.4884 9.4884 9.5262 9.5262 9.6129 9.6129 9.6216 9.6216 15.1794 15.1794 15.2218 15.2218 15.6244 15.6244 15.8284 15.8284 16.6142 16.6142 16.6323 16.6323 k = 0.0556-0.0321 0.0454 ( 1779 PWs) bands (ev): 1.6092 1.6092 7.3636 7.3636 7.4487 7.4487 7.4904 7.4904 7.5179 7.5179 7.6042 7.6042 8.2689 8.2689 8.2905 8.2905 8.4288 8.4288 9.2295 9.2295 9.2546 9.2546 9.3798 9.3798 9.4880 9.4880 9.5356 9.5356 9.6101 9.6101 9.6223 9.6223 15.0435 15.0435 15.0838 15.0838 15.5727 15.5727 15.7448 15.7448 16.7417 16.7417 16.7581 16.7581 k = 0.0648-0.0374 0.0529 ( 1780 PWs) bands (ev): 1.6295 1.6295 7.3459 7.3459 7.4545 7.4545 7.4964 7.4964 7.5271 7.5271 7.6097 7.6097 8.2634 8.2634 8.2938 8.2938 8.4288 8.4288 9.2150 9.2150 9.2470 9.2470 9.3684 9.3684 9.4876 9.4876 9.5443 9.5443 9.6068 9.6068 9.6230 9.6230 14.9068 14.9068 14.9455 14.9455 15.5163 15.5163 15.6588 15.6588 16.8681 16.8681 16.8817 16.8817 k = 0.0741-0.0428 0.0605 ( 1772 PWs) bands (ev): 1.6529 1.6529 7.3270 7.3270 7.4611 7.4611 7.5036 7.5036 7.5366 7.5366 7.6159 7.6159 8.2566 8.2566 8.2976 8.2976 8.4292 8.4292 9.1994 9.1994 9.2384 9.2384 9.3566 9.3566 9.4872 9.4872 9.5521 9.5521 9.6033 9.6033 9.6239 9.6239 14.7699 14.7699 14.8072 14.8072 15.4562 15.4562 15.5714 15.5714 16.9930 16.9930 17.0022 17.0022 k = 0.0833-0.0481 0.0680 ( 1772 PWs) bands (ev): 1.6793 1.6793 7.3068 7.3068 7.4685 7.4685 7.5115 7.5115 7.5462 7.5462 7.6227 7.6227 8.2482 8.2482 8.3019 8.3019 8.4300 8.4300 9.1832 9.1832 9.2287 9.2287 9.3444 9.3444 9.4866 9.4866 9.5586 9.5586 9.5999 9.5999 9.6250 9.6250 14.6331 14.6331 14.6691 14.6691 15.3937 15.3937 15.4834 15.4834 17.1137 17.1137 17.1159 17.1159 k = 0.0926-0.0535 0.0756 ( 1772 PWs) bands (ev): 1.7089 1.7089 7.2854 7.2854 7.4768 7.4768 7.5202 7.5202 7.5560 7.5560 7.6300 7.6300 8.2380 8.2380 8.3068 8.3068 8.4314 8.4314 9.1666 9.1666 9.2180 9.2180 9.3316 9.3316 9.4860 9.4860 9.5632 9.5632 9.5971 9.5971 9.6260 9.6260 14.4967 14.4967 14.5317 14.5317 15.3296 15.3296 15.3947 15.3947 17.0656 17.0656 17.2368 17.2368 k = 0.1019-0.0588 0.0832 ( 1780 PWs) bands (ev): 1.7415 1.7415 7.2628 7.2628 7.4859 7.4859 7.5297 7.5297 7.5660 7.5660 7.6379 7.6379 8.2259 8.2259 8.3120 8.3120 8.4332 8.4332 9.1499 9.1499 9.2063 9.2063 9.3181 9.3181 9.4854 9.4854 9.5649 9.5649 9.5957 9.5957 9.6272 9.6272 14.3609 14.3609 14.3949 14.3949 15.2648 15.2648 15.3055 15.3055 16.8901 16.8901 17.3557 17.3557 k = 0.1111-0.0642 0.0907 ( 1780 PWs) bands (ev): 1.7772 1.7772 7.2391 7.2391 7.4958 7.4958 7.5401 7.5401 7.5761 7.5761 7.6463 7.6463 8.2119 8.2119 8.3181 8.3181 8.4360 8.4360 9.1336 9.1336 9.1937 9.1937 9.3042 9.3042 9.4847 9.4847 9.5633 9.5633 9.5964 9.5964 9.6284 9.6284 14.2259 14.2259 14.2589 14.2589 15.1999 15.1999 15.2151 15.2151 16.6977 16.6977 17.4701 17.4701 k = 0.1204-0.0695 0.0983 ( 1772 PWs) bands (ev): 1.8160 1.8160 7.2144 7.2144 7.5067 7.5067 7.5513 7.5513 7.5865 7.5865 7.6553 7.6553 8.1959 8.1959 8.3249 8.3249 8.4396 8.4396 9.1179 9.1179 9.1804 9.1804 9.2897 9.2897 9.4840 9.4840 9.5589 9.5589 9.5986 9.5986 9.6297 9.6297 14.0918 14.0918 14.1239 14.1239 15.1229 15.1229 15.1354 15.1354 16.4995 16.4995 17.5797 17.5797 k = 0.1296-0.0748 0.1058 ( 1768 PWs) bands (ev): 1.8577 1.8577 7.1886 7.1886 7.5182 7.5182 7.5632 7.5632 7.5968 7.5968 7.6649 7.6649 8.1777 8.1777 8.3324 8.3324 8.4442 8.4442 9.1027 9.1027 9.1663 9.1663 9.2747 9.2747 9.4832 9.4832 9.5527 9.5527 9.6012 9.6012 9.6312 9.6312 13.9587 13.9587 13.9899 13.9899 15.0276 15.0276 15.0719 15.0719 16.3011 16.3011 17.6879 17.6879 k = 0.1389-0.0802 0.1134 ( 1768 PWs) bands (ev): 1.9025 1.9025 7.1618 7.1618 7.5304 7.5304 7.5759 7.5759 7.6070 7.6070 7.6750 7.6750 8.1574 8.1574 8.3406 8.3406 8.4496 8.4496 9.0883 9.0883 9.1514 9.1514 9.2591 9.2591 9.4824 9.4824 9.5452 9.5452 9.6037 9.6037 9.6325 9.6325 13.8267 13.8267 13.8571 13.8571 14.9276 14.9276 15.0095 15.0095 16.1065 16.1065 17.7951 17.7951 k = 0.1481-0.0855 0.1210 ( 1776 PWs) bands (ev): 1.9503 1.9503 7.1340 7.1340 7.5434 7.5434 7.5891 7.5891 7.6169 7.6169 7.6857 7.6857 8.1350 8.1350 8.3494 8.3494 8.4558 8.4558 9.0748 9.0748 9.1358 9.1358 9.2430 9.2430 9.4816 9.4816 9.5367 9.5367 9.6056 9.6056 9.6338 9.6338 13.6958 13.6958 13.7253 13.7253 14.8208 14.8208 14.9487 14.9487 15.9196 15.9196 17.9016 17.9016 k = 0.1574-0.0909 0.1285 ( 1760 PWs) bands (ev): 2.0011 2.0011 7.1055 7.1055 7.5571 7.5571 7.6032 7.6032 7.6266 7.6266 7.6973 7.6973 8.1108 8.1108 8.3593 8.3593 8.4633 8.4633 9.0624 9.0624 9.1197 9.1197 9.2266 9.2266 9.4811 9.4811 9.5276 9.5276 9.6074 9.6074 9.6354 9.6354 13.5661 13.5661 13.5949 13.5949 14.7048 14.7048 14.8895 14.8895 15.7439 15.7439 18.0077 18.0077 k = 0.1667-0.0962 0.1361 ( 1760 PWs) bands (ev): 2.0549 2.0549 7.0762 7.0762 7.5715 7.5715 7.6178 7.6178 7.6358 7.6358 7.7094 7.7094 8.0846 8.0846 8.3698 8.3698 8.4714 8.4714 9.0511 9.0511 9.1030 9.1030 9.2098 9.2098 9.4803 9.4803 9.5177 9.5177 9.6083 9.6083 9.6368 9.6368 13.4377 13.4377 13.4656 13.4656 14.5773 14.5773 14.8322 14.8322 15.5824 15.5824 18.1140 18.1140 k = 0.1759-0.1016 0.1436 ( 1760 PWs) bands (ev): 2.1116 2.1116 7.0461 7.0461 7.5865 7.5865 7.6328 7.6328 7.6444 7.6444 7.7221 7.7221 8.0565 8.0565 8.3812 8.3812 8.4806 8.4806 9.0409 9.0409 9.0859 9.0859 9.1927 9.1927 9.4795 9.4795 9.5072 9.5072 9.6086 9.6086 9.6382 9.6382 13.3105 13.3105 13.3378 13.3378 14.4367 14.4367 14.7768 14.7768 15.4376 15.4376 18.2207 18.2207 k = 0.1852-0.1069 0.1512 ( 1760 PWs) bands (ev): 2.1712 2.1712 7.0154 7.0154 7.6022 7.6022 7.6484 7.6484 7.6524 7.6524 7.7355 7.7355 8.0270 8.0270 8.3935 8.3935 8.4907 8.4907 9.0318 9.0318 9.0684 9.0684 9.1755 9.1755 9.4786 9.4786 9.4961 9.4961 9.6083 9.6083 9.6397 9.6397 13.1848 13.1848 13.2112 13.2112 14.2826 14.2826 14.7235 14.7235 15.3101 15.3101 18.3281 18.3281 k = 0.1944-0.1123 0.1588 ( 1760 PWs) bands (ev): 2.2337 2.2337 6.9842 6.9842 7.6184 7.6184 7.6594 7.6594 7.6642 7.6642 7.7495 7.7495 7.9961 7.9961 8.4068 8.4068 8.5018 8.5018 9.0236 9.0236 9.0505 9.0505 9.1583 9.1583 9.4778 9.4778 9.4845 9.4845 9.6074 9.6074 9.6412 9.6412 13.0604 13.0604 13.0860 13.0860 14.1162 14.1162 14.6723 14.6723 15.1993 15.1993 18.4366 18.4366 k = 0.2037-0.1176 0.1663 ( 1752 PWs) bands (ev): 2.2991 2.2991 6.9525 6.9525 7.6353 7.6353 7.6656 7.6656 7.6803 7.6803 7.7641 7.7641 7.9641 7.9641 8.4214 8.4214 8.5143 8.5143 9.0163 9.0163 9.0325 9.0325 9.1412 9.1412 9.4726 9.4726 9.4770 9.4770 9.6058 9.6058 9.6426 9.6426 12.9374 12.9374 12.9623 12.9623 13.9396 13.9396 14.6231 14.6231 15.1032 15.1032 18.5464 18.5464 k = 0.2130-0.1230 0.1739 ( 1752 PWs) bands (ev): 2.3673 2.3673 6.9204 6.9204 7.6526 7.6526 7.6706 7.6706 7.6964 7.6964 7.7791 7.7791 7.9314 7.9314 8.4367 8.4367 8.5275 8.5275 9.0098 9.0098 9.0142 9.0142 9.1245 9.1245 9.4600 9.4600 9.4761 9.4761 9.6037 9.6037 9.6441 9.6441 12.8158 12.8158 12.8399 12.8399 13.7556 13.7556 14.5761 14.5761 15.0197 15.0197 18.6576 18.6576 k = 0.2222-0.1283 0.1814 ( 1740 PWs) bands (ev): 2.4383 2.4383 6.8881 6.8881 7.6703 7.6703 7.6747 7.6747 7.7123 7.7123 7.7945 7.7945 7.8988 7.8988 8.4532 8.4532 8.5417 8.5417 8.9960 8.9960 9.0038 9.0038 9.1084 9.1084 9.4470 9.4470 9.4753 9.4753 9.6013 9.6013 9.6457 9.6457 12.6958 12.6958 12.7191 12.7191 13.5666 13.5666 14.5312 14.5312 14.9464 14.9464 18.7706 18.7706 k = 0.2315-0.1336 0.1890 ( 1744 PWs) bands (ev): 2.5121 2.5121 6.8553 6.8553 7.6773 7.6773 7.6882 7.6882 7.7268 7.7268 7.8100 7.8100 7.8668 7.8668 8.4707 8.4707 8.5571 8.5571 8.9778 8.9778 8.9979 8.9979 9.0931 9.0931 9.4335 9.4335 9.4745 9.4745 9.5980 9.5980 9.6473 9.6473 12.5772 12.5772 12.5996 12.5996 13.3748 13.3748 14.4884 14.4884 14.8815 14.8815 18.8853 18.8853 k = 0.2407-0.1390 0.1966 ( 1748 PWs) bands (ev): 2.5886 2.5886 6.8225 6.8225 7.6783 7.6783 7.7057 7.7057 7.7386 7.7386 7.8257 7.8257 7.8381 7.8381 8.4893 8.4893 8.5734 8.5734 8.9596 8.9596 8.9917 8.9917 9.0793 9.0793 9.4196 9.4196 9.4737 9.4737 9.5943 9.5943 9.6485 9.6485 12.4601 12.4601 12.4816 12.4816 13.1819 13.1819 14.4476 14.4476 14.8234 14.8234 19.0020 19.0020 k = 0.2500-0.1443 0.2041 ( 1748 PWs) bands (ev): 2.6678 2.6678 6.7895 6.7895 7.6778 7.6778 7.7195 7.7195 7.7449 7.7449 7.8188 7.8188 7.8416 7.8416 8.5090 8.5090 8.5909 8.5909 8.9418 8.9418 8.9848 8.9848 9.0673 9.0673 9.4054 9.4054 9.4729 9.4729 9.5901 9.5901 9.6501 9.6501 12.3445 12.3445 12.3651 12.3651 12.9894 12.9894 14.4088 14.4088 14.7711 14.7711 19.1207 19.1207 k = 0.2593-0.1497 0.2117 ( 1748 PWs) bands (ev): 2.7497 2.7497 6.7565 6.7565 7.6756 7.6756 7.7142 7.7142 7.7541 7.7541 7.8158 7.8158 7.8574 7.8574 8.5297 8.5297 8.6094 8.6094 8.9245 8.9245 8.9767 8.9767 9.0578 9.0578 9.3908 9.3908 9.4721 9.4721 9.5855 9.5855 9.6517 9.6517 12.2305 12.2305 12.2501 12.2501 12.7984 12.7984 14.3720 14.3720 14.7236 14.7236 19.2415 19.2415 k = 0.2685-0.1550 0.2192 ( 1736 PWs) bands (ev): 2.8341 2.8341 6.7235 6.7235 7.6714 7.6714 7.6895 7.6895 7.7714 7.7714 7.8251 7.8251 7.8735 7.8735 8.5513 8.5513 8.6289 8.6289 8.9081 8.9081 8.9676 8.9676 9.0509 9.0509 9.3760 9.3760 9.4715 9.4715 9.5806 9.5806 9.6535 9.6535 12.1180 12.1180 12.1364 12.1364 12.6099 12.6099 14.3371 14.3371 14.6803 14.6803 19.3645 19.3645 k = 0.2778-0.1604 0.2268 ( 1728 PWs) bands (ev): 2.9211 2.9211 6.6904 6.6904 7.6581 7.6581 7.6651 7.6651 7.7909 7.7909 7.8389 7.8389 7.8890 7.8890 8.5734 8.5734 8.6490 8.6490 8.8931 8.8931 8.9577 8.9577 9.0466 9.0466 9.3609 9.3609 9.4707 9.4707 9.5752 9.5752 9.6553 9.6553 12.0072 12.0072 12.0242 12.0242 12.4247 12.4247 14.3041 14.3041 14.6406 14.6406 19.4896 19.4896 k = 0.2870-0.1657 0.2344 ( 1736 PWs) bands (ev): 3.0105 3.0105 6.6574 6.6574 7.6245 7.6245 7.6563 7.6563 7.8110 7.8110 7.8543 7.8543 7.9043 7.9043 8.5953 8.5953 8.6692 8.6692 8.8795 8.8795 8.9474 8.9474 9.0442 9.0442 9.3455 9.3455 9.4701 9.4701 9.5695 9.5695 9.6570 9.6570 11.8979 11.8979 11.9131 11.9131 12.2437 12.2437 14.2729 14.2729 14.6042 14.6042 19.6170 19.6170 k = 0.2963-0.1711 0.2419 ( 1736 PWs) bands (ev): 3.1024 3.1024 6.6244 6.6244 7.5904 7.5904 7.6450 7.6450 7.8314 7.8314 7.8705 7.8705 7.9194 7.9194 8.6167 8.6167 8.6896 8.6896 8.8685 8.8685 8.9380 8.9380 9.0436 9.0436 9.3301 9.3301 9.4694 9.4694 9.5635 9.5635 9.6590 9.6590 11.7901 11.7901 11.8032 11.8032 12.0676 12.0676 14.2435 14.2435 14.5706 14.5706 19.7466 19.7466 k = 0.3056-0.1764 0.2495 ( 1736 PWs) bands (ev): 3.1966 3.1966 6.5914 6.5914 7.5563 7.5563 7.6309 7.6309 7.8521 7.8521 7.8867 7.8867 7.9341 7.9341 8.6361 8.6361 8.7091 8.7091 8.8615 8.8615 8.9306 8.9306 9.0444 9.0444 9.3146 9.3146 9.4688 9.4688 9.5572 9.5572 9.6612 9.6612 11.6840 11.6840 11.6938 11.6938 11.8976 11.8976 14.2158 14.2158 14.5397 14.5397 19.8785 19.8785 k = 0.3148-0.1818 0.2570 ( 1736 PWs) bands (ev): 3.2930 3.2930 6.5584 6.5584 7.5228 7.5228 7.6138 7.6138 7.8728 7.8728 7.9029 7.9029 7.9485 7.9485 8.6518 8.6518 8.7263 8.7263 8.8603 8.8603 8.9269 8.9269 9.0462 9.0462 9.2991 9.2991 9.4682 9.4682 9.5507 9.5507 9.6635 9.6635 11.5795 11.5795 11.5842 11.5842 11.7349 11.7349 14.1897 14.1897 14.5112 14.5112 20.0125 20.0125 k = 0.3241-0.1871 0.2646 ( 1744 PWs) bands (ev): 3.3917 3.3917 6.5253 6.5253 7.4899 7.4899 7.5934 7.5934 7.8935 7.8935 7.9187 7.9187 7.9624 7.9624 8.6620 8.6620 8.7396 8.7396 8.8665 8.8665 8.9286 8.9286 9.0489 9.0489 9.2835 9.2835 9.4673 9.4673 9.5440 9.5440 9.6660 9.6660 11.4722 11.4722 11.4767 11.4767 11.5824 11.5824 14.1653 14.1653 14.4849 14.4849 20.1488 20.1488 k = 0.3333-0.1925 0.2722 ( 1752 PWs) bands (ev): 3.4924 3.4924 6.4921 6.4921 7.4578 7.4578 7.5697 7.5697 7.9142 7.9142 7.9342 7.9342 7.9758 7.9758 8.6657 8.6657 8.7475 8.7475 8.8813 8.8813 8.9373 8.9373 9.0522 9.0522 9.2684 9.2684 9.4668 9.4668 9.5370 9.5370 9.6687 9.6687 11.3534 11.3534 11.3754 11.3754 11.4447 11.4447 14.1424 14.1424 14.4606 14.4606 20.2872 20.2872 k = 0.3426-0.1978 0.2797 ( 1744 PWs) bands (ev): 3.5951 3.5951 6.4586 6.4586 7.4269 7.4269 7.5426 7.5426 7.9348 7.9348 7.9495 7.9495 7.9891 7.9891 8.6637 8.6637 8.7498 8.7498 8.9043 8.9043 8.9534 8.9534 9.0562 9.0562 9.2537 9.2537 9.4665 9.4665 9.5301 9.5301 9.6719 9.6719 11.2261 11.2261 11.2759 11.2759 11.3243 11.3243 14.1211 14.1211 14.4383 14.4383 20.4278 20.4278 k = 0.3519-0.2031 0.2873 ( 1744 PWs) bands (ev): 3.6996 3.6996 6.4247 6.4247 7.3972 7.3972 7.5119 7.5119 7.9550 7.9550 7.9642 7.9642 8.0017 8.0017 8.6572 8.6572 8.7472 8.7472 8.9339 8.9339 8.9755 8.9755 9.0612 9.0612 9.2396 9.2396 9.4661 9.4661 9.5231 9.5231 9.6753 9.6753 11.0956 11.0956 11.1780 11.1780 11.2160 11.2160 14.1012 14.1012 14.4178 14.4178 20.5704 20.5704 k = 0.3611-0.2085 0.2948 ( 1744 PWs) bands (ev): 3.8058 3.8058 6.3901 6.3901 7.3688 7.3688 7.4777 7.4777 7.9748 7.9748 7.9783 7.9783 8.0138 8.0138 8.6478 8.6478 8.7412 8.7412 8.9687 8.9687 9.0011 9.0011 9.0680 9.0680 9.2264 9.2264 9.4658 9.4658 9.5161 9.5161 9.6792 9.6792 10.9679 10.9679 11.0817 11.0817 11.1143 11.1143 14.0827 14.0827 14.3990 14.3990 20.7151 20.7151 k = 0.3704-0.2138 0.3024 ( 1744 PWs) bands (ev): 3.9136 3.9136 6.3545 6.3545 7.3417 7.3417 7.4402 7.4402 7.9913 7.9913 7.9947 7.9947 8.0254 8.0254 8.6367 8.6367 8.7330 8.7330 9.0075 9.0075 9.0255 9.0255 9.0794 9.0794 9.2149 9.2149 9.4655 9.4655 9.5091 9.5091 9.6835 9.6835 10.8460 10.8460 10.9872 10.9872 11.0165 11.0165 14.0657 14.0657 14.3817 14.3817 20.8617 20.8617 k = 0.3796-0.2192 0.3100 ( 1744 PWs) bands (ev): 4.0228 4.0228 6.3177 6.3177 7.3162 7.3162 7.3997 7.3997 8.0042 8.0042 8.0135 8.0135 8.0365 8.0365 8.6247 8.6247 8.7235 8.7235 9.0424 9.0424 9.0496 9.0496 9.0997 9.0997 9.2063 9.2063 9.4654 9.4654 9.5022 9.5022 9.6884 9.6884 10.7312 10.7312 10.8943 10.8943 10.9214 10.9214 14.0499 14.0499 14.3660 14.3660 21.0101 21.0101 k = 0.3889-0.2245 0.3175 ( 1740 PWs) bands (ev): 4.1331 4.1331 6.2791 6.2791 7.2923 7.2923 7.3566 7.3566 8.0164 8.0164 8.0318 8.0318 8.0471 8.0471 8.6124 8.6124 8.7137 8.7137 9.0506 9.0506 9.0944 9.0944 9.1258 9.1258 9.2043 9.2043 9.4653 9.4653 9.4955 9.4955 9.6939 9.6939 10.6241 10.6241 10.8032 10.8032 10.8288 10.8288 14.0355 14.0355 14.3517 14.3517 21.1602 21.1602 k = 0.3981-0.2299 0.3251 ( 1736 PWs) bands (ev): 4.2445 4.2445 6.2384 6.2384 7.2701 7.2701 7.3116 7.3116 8.0277 8.0277 8.0493 8.0493 8.0570 8.0570 8.6001 8.6001 8.7036 8.7036 9.0539 9.0539 9.1414 9.1414 9.1449 9.1449 9.2175 9.2175 9.4654 9.4654 9.4892 9.4892 9.7003 9.7003 10.5250 10.5250 10.7138 10.7138 10.7382 10.7382 14.0224 14.0224 14.3388 14.3388 21.3118 21.3118 k = 0.4074-0.2352 0.3326 ( 1736 PWs) bands (ev): 4.3565 4.3565 6.1949 6.1949 7.2496 7.2496 7.2654 7.2654 8.0383 8.0383 8.0659 8.0659 8.0664 8.0664 8.5881 8.5881 8.6938 8.6938 9.0542 9.0542 9.1505 9.1505 9.1904 9.1904 9.2499 9.2499 9.4657 9.4657 9.4831 9.4831 9.7073 9.7073 10.4339 10.4339 10.6261 10.6261 10.6498 10.6498 14.0105 14.0105 14.3272 14.3272 21.4648 21.4648 k = 0.4167-0.2406 0.3402 ( 1748 PWs) bands (ev): 4.4689 4.4689 6.1481 6.1481 7.2190 7.2190 7.2307 7.2307 8.0476 8.0476 8.0746 8.0746 8.0815 8.0815 8.5765 8.5765 8.6844 8.6844 9.0524 9.0524 9.1503 9.1503 9.2410 9.2410 9.2930 9.2930 9.4663 9.4663 9.4774 9.4774 9.7151 9.7151 10.3507 10.3507 10.5402 10.5402 10.5635 10.5635 13.9998 13.9998 14.3169 14.3169 21.6187 21.6187 k = 0.4259-0.2459 0.3478 ( 1748 PWs) bands (ev): 4.5813 4.5813 6.0973 6.0973 7.1737 7.1737 7.2138 7.2138 8.0565 8.0565 8.0826 8.0826 8.0959 8.0959 8.5658 8.5658 8.6756 8.6756 9.0489 9.0489 9.1493 9.1493 9.2926 9.2926 9.3410 9.3410 9.4676 9.4676 9.4726 9.4726 9.7242 9.7242 10.2752 10.2752 10.4562 10.4562 10.4793 10.4793 13.9903 13.9903 14.3077 14.3077 21.7732 21.7732 k = 0.4352-0.2513 0.3553 ( 1748 PWs) bands (ev): 4.6934 4.6934 6.0421 6.0421 7.1304 7.1304 7.1987 7.1987 8.0645 8.0645 8.0899 8.0899 8.1091 8.1091 8.5559 8.5559 8.6677 8.6677 9.0443 9.0443 9.1487 9.1487 9.3442 9.3442 9.3909 9.3909 9.4696 9.4696 9.4703 9.4703 9.7345 9.7345 10.2074 10.2074 10.3740 10.3740 10.3973 10.3973 13.9820 13.9820 14.2998 14.2998 21.9276 21.9276 k = 0.4444-0.2566 0.3629 ( 1748 PWs) bands (ev): 4.8045 4.8045 5.9820 5.9820 7.0905 7.0905 7.1856 7.1856 8.0715 8.0715 8.0963 8.0963 8.1208 8.1208 8.5470 8.5470 8.6605 8.6605 9.0392 9.0392 9.1488 9.1488 9.3929 9.3929 9.4350 9.4350 9.4756 9.4756 9.4769 9.4769 9.7462 9.7462 10.1467 10.1467 10.2938 10.2938 10.3179 10.3179 13.9749 13.9749 14.2929 14.2929 22.0809 22.0809 k = 0.4537-0.2619 0.3704 ( 1748 PWs) bands (ev): 4.9139 4.9139 5.9170 5.9170 7.0549 7.0549 7.1744 7.1744 8.0776 8.0776 8.1020 8.1020 8.1309 8.1309 8.5392 8.5392 8.6544 8.6544 9.0340 9.0340 9.1494 9.1494 9.4294 9.4294 9.4486 9.4486 9.4962 9.4962 9.5147 9.5147 9.7595 9.7595 10.0929 10.0929 10.2156 10.2156 10.2413 10.2413 13.9688 13.9688 14.2872 14.2872 22.2316 22.2316 k = 0.4630-0.2673 0.3780 ( 1740 PWs) bands (ev): 5.0205 5.0205 5.8474 5.8474 7.0247 7.0247 7.1653 7.1653 8.0829 8.0829 8.1069 8.1069 8.1394 8.1394 8.5327 8.5327 8.6493 8.6493 9.0292 9.0292 9.1502 9.1502 9.4454 9.4454 9.4485 9.4485 9.5355 9.5355 9.5701 9.5701 9.7748 9.7748 10.0458 10.0458 10.1399 10.1399 10.1684 10.1684 13.9639 13.9639 14.2826 14.2826 22.3771 22.3771 k = 0.4722-0.2726 0.3856 ( 1740 PWs) bands (ev): 5.1226 5.1226 5.7746 5.7746 7.0005 7.0005 7.1581 7.1581 8.0868 8.0868 8.1106 8.1106 8.1461 8.1461 8.5276 8.5276 8.6452 8.6452 9.0252 9.0252 9.1510 9.1510 9.4467 9.4467 9.4509 9.4509 9.5827 9.5827 9.6285 9.6285 9.7925 9.7925 10.0047 10.0047 10.0670 10.0670 10.1007 10.1007 13.9601 13.9601 14.2790 14.2790 22.5126 22.5126 k = 0.4815-0.2780 0.3931 ( 1740 PWs) bands (ev): 5.2164 5.2164 5.7019 5.7019 6.9829 6.9829 7.1530 7.1530 8.0897 8.0897 8.1133 8.1133 8.1510 8.1510 8.5238 8.5238 8.6423 8.6423 9.0221 9.0221 9.1518 9.1518 9.4452 9.4452 9.4531 9.4531 9.6270 9.6270 9.6871 9.6871 9.8135 9.8135 9.9685 9.9685 9.9985 9.9985 10.0421 10.0421 13.9574 13.9574 14.2764 14.2764 22.6296 22.6296 k = 0.4907-0.2833 0.4007 ( 1740 PWs) bands (ev): 5.2921 5.2921 5.6388 5.6388 6.9722 6.9722 7.1499 7.1499 8.0914 8.0914 8.1150 8.1150 8.1539 8.1539 8.5215 8.5215 8.6406 8.6406 9.0201 9.0201 9.1522 9.1522 9.4442 9.4442 9.4541 9.4541 9.6599 9.6599 9.7403 9.7403 9.8381 9.8381 9.9346 9.9346 9.9394 9.9394 10.0014 10.0014 13.9558 13.9558 14.2749 14.2749 22.7135 22.7135 k = 0.5000-0.2887 0.4082 ( 1724 PWs) bands (ev): 5.3251 5.3251 5.6103 5.6103 6.9686 6.9686 7.1489 7.1489 8.0920 8.0920 8.1156 8.1156 8.1551 8.1551 8.5211 8.5211 8.6402 8.6402 9.0196 9.0196 9.1526 9.1526 9.4438 9.4438 9.4544 9.4544 9.6724 9.6724 9.7674 9.7674 9.8554 9.8554 9.9105 9.9105 9.9135 9.9135 9.9876 9.9876 13.9552 13.9552 14.2744 14.2744 22.7449 22.7449 k = 0.5000-0.2887 0.4082 ( 1724 PWs) bands (ev): 5.3251 5.3251 5.6103 5.6103 6.9686 6.9686 7.1489 7.1489 8.0920 8.0920 8.1156 8.1156 8.1551 8.1551 8.5211 8.5211 8.6402 8.6402 9.0196 9.0196 9.1526 9.1526 9.4438 9.4438 9.4544 9.4544 9.6724 9.6724 9.7674 9.7674 9.8554 9.8554 9.9105 9.9105 9.9135 9.9135 9.9876 9.9876 13.9552 13.9552 14.2744 14.2744 22.7449 22.7449 k = 0.5000-0.2780 0.4158 ( 1740 PWs) bands (ev): 5.3256 5.3256 5.6114 5.6114 6.9685 6.9685 7.1478 7.1478 8.0914 8.0914 8.1150 8.1150 8.1568 8.1568 8.5202 8.5202 8.6390 8.6390 9.0199 9.0199 9.1517 9.1517 9.4434 9.4434 9.4484 9.4484 9.6721 9.6721 9.7671 9.7671 9.8540 9.8540 9.9106 9.9106 9.9166 9.9166 9.9874 9.9874 13.9620 13.9620 14.2805 14.2805 22.7339 22.7339 k = 0.5000-0.2673 0.4234 ( 1740 PWs) bands (ev): 5.3275 5.3275 5.6152 5.6152 6.9682 6.9682 7.1448 7.1448 8.0898 8.0898 8.1139 8.1139 8.1619 8.1619 8.5183 8.5183 8.6362 8.6362 9.0212 9.0212 9.1496 9.1496 9.4287 9.4287 9.4444 9.4444 9.6716 9.6716 9.7666 9.7666 9.8515 9.8515 9.9076 9.9076 9.9279 9.9279 9.9879 9.9879 13.9824 13.9824 14.2989 14.2989 22.6907 22.6907 k = 0.5000-0.2566 0.4309 ( 1740 PWs) bands (ev): 5.3305 5.3305 5.6215 5.6215 6.9677 6.9677 7.1397 7.1397 8.0870 8.0870 8.1133 8.1133 8.1692 8.1692 8.5150 8.5150 8.6318 8.6318 9.0233 9.0233 9.1461 9.1461 9.3994 9.3994 9.4444 9.4444 9.6708 9.6708 9.7658 9.7658 9.8490 9.8490 9.9023 9.9023 9.9435 9.9435 9.9889 9.9889 14.0161 14.0161 14.3293 14.3293 22.6044 22.6044 k = 0.5000-0.2459 0.4385 ( 1744 PWs) bands (ev): 5.3347 5.3347 5.6303 5.6303 6.9669 6.9669 7.1324 7.1324 8.0833 8.0833 8.1135 8.1135 8.1778 8.1778 8.5101 8.5101 8.6262 8.6262 9.0258 9.0258 9.1414 9.1414 9.3610 9.3610 9.4445 9.4445 9.6698 9.6698 9.7648 9.7648 9.8471 9.8471 9.8949 9.8949 9.9604 9.9604 9.9911 9.9911 14.0628 14.0628 14.3716 14.3716 22.4812 22.4812 k = 0.5000-0.2352 0.4460 ( 1744 PWs) bands (ev): 5.3400 5.3400 5.6415 5.6415 6.9659 6.9659 7.1232 7.1232 8.0793 8.0793 8.1148 8.1148 8.1875 8.1875 8.5033 8.5033 8.6199 8.6199 9.0285 9.0285 9.1357 9.1357 9.3157 9.3157 9.4447 9.4447 9.6685 9.6685 9.7636 9.7636 9.8460 9.8460 9.8858 9.8858 9.9756 9.9756 9.9962 9.9962 14.1222 14.1222 14.4253 14.4253 22.3302 22.3302 k = 0.5000-0.2245 0.4536 ( 1748 PWs) bands (ev): 5.3465 5.3465 5.6552 5.6552 6.9647 6.9647 7.1118 7.1118 8.0752 8.0752 8.1169 8.1169 8.1977 8.1977 8.4943 8.4943 8.6135 8.6135 9.0310 9.0310 9.1292 9.1292 9.2651 9.2651 9.4449 9.4449 9.6669 9.6669 9.7619 9.7619 9.8454 9.8454 9.8757 9.8757 9.9850 9.9850 10.0072 10.0072 14.1936 14.1936 14.4901 14.4901 22.1584 22.1584 k = 0.5000-0.2138 0.4612 ( 1748 PWs) bands (ev): 5.3539 5.3539 5.6714 5.6714 6.9633 6.9633 7.0982 7.0982 8.0715 8.0715 8.1198 8.1198 8.2085 8.2085 8.4831 8.4831 8.6072 8.6072 9.0330 9.0330 9.1221 9.1221 9.2105 9.2105 9.4453 9.4453 9.6648 9.6648 9.7597 9.7597 9.8445 9.8445 9.8657 9.8657 9.9901 9.9901 10.0220 10.0220 14.2766 14.2766 14.5655 14.5655 21.9707 21.9707 k = 0.5000-0.2031 0.4687 ( 1744 PWs) bands (ev): 5.3624 5.3624 5.6899 5.6899 6.9617 6.9617 7.0826 7.0826 8.0683 8.0683 8.1233 8.1233 8.2196 8.2196 8.4695 8.4695 8.6016 8.6016 9.0340 9.0340 9.1147 9.1147 9.1536 9.1536 9.4457 9.4457 9.6624 9.6624 9.7567 9.7567 9.8413 9.8413 9.8586 9.8586 9.9941 9.9941 10.0370 10.0370 14.3705 14.3705 14.6510 14.6510 21.7710 21.7710 k = 0.5000-0.1925 0.4763 ( 1744 PWs) bands (ev): 5.3716 5.3716 5.7108 5.7108 6.9599 6.9599 7.0647 7.0647 8.0658 8.0658 8.1272 8.1272 8.2308 8.2308 8.4537 8.4537 8.5965 8.5965 9.0329 9.0329 9.0940 9.0940 9.1088 9.1088 9.4462 9.4462 9.6594 9.6594 9.7528 9.7528 9.8336 9.8336 9.8569 9.8569 9.9980 9.9980 10.0509 10.0509 14.4747 14.4747 14.7461 14.7461 21.5620 21.5620 k = 0.5000-0.1818 0.4838 ( 1746 PWs) bands (ev): 5.3817 5.3817 5.7340 5.7340 6.9578 6.9578 7.0446 7.0446 8.0640 8.0640 8.1316 8.1316 8.2420 8.2420 8.4362 8.4362 8.5921 8.5921 9.0215 9.0215 9.0438 9.0438 9.1016 9.1016 9.4469 9.4469 9.6559 9.6559 9.7477 9.7477 9.8240 9.8240 9.8586 9.8586 10.0021 10.0021 10.0633 10.0633 14.5885 14.5885 14.8502 14.8502 21.3459 21.3459 k = 0.5000-0.1711 0.4914 ( 1742 PWs) bands (ev): 5.3925 5.3925 5.7595 5.7595 6.9555 6.9555 7.0223 7.0223 8.0630 8.0630 8.1363 8.1363 8.2532 8.2532 8.4173 8.4173 8.5882 8.5882 8.9692 8.9692 9.0317 9.0317 9.0960 9.0960 9.4479 9.4479 9.6520 9.6520 9.7416 9.7416 9.8149 9.8149 9.8616 9.8616 10.0064 10.0064 10.0742 10.0742 14.7115 14.7115 14.9630 14.9630 21.1244 21.1244 k = 0.5000-0.1604 0.4990 ( 1742 PWs) bands (ev): 5.4038 5.4038 5.7872 5.7872 6.9529 6.9529 6.9978 6.9978 8.0630 8.0630 8.1416 8.1416 8.2640 8.2640 8.3977 8.3977 8.5847 8.5847 8.9095 8.9095 9.0250 9.0250 9.0911 9.0911 9.4490 9.4490 9.6476 9.6476 9.7346 9.7346 9.8068 9.8068 9.8655 9.8655 10.0108 10.0108 10.0835 10.0835 14.8429 14.8429 15.0838 15.0838 20.8988 20.8988 k = 0.5000-0.1497 0.5065 ( 1748 PWs) bands (ev): 5.4155 5.4155 5.8170 5.8170 6.9500 6.9500 6.9711 6.9711 8.0640 8.0640 8.1468 8.1468 8.2738 8.2738 8.3781 8.3781 8.5813 8.5813 8.8499 8.8499 9.0174 9.0174 9.0870 9.0870 9.4504 9.4504 9.6427 9.6427 9.7270 9.7270 9.7997 9.7997 9.8698 9.8698 10.0154 10.0154 10.0913 10.0913 14.9822 14.9822 15.2122 15.2122 20.6706 20.6706 k = 0.5000-0.1390 0.5141 ( 1746 PWs) bands (ev): 5.4275 5.4275 5.8490 5.8490 6.9409 6.9409 6.9482 6.9482 8.0659 8.0659 8.1523 8.1523 8.2816 8.2816 8.3601 8.3601 8.5781 8.5781 8.7915 8.7915 9.0089 9.0089 9.0833 9.0833 9.4523 9.4523 9.6373 9.6373 9.7194 9.7194 9.7937 9.7937 9.8745 9.8745 10.0201 10.0201 10.0978 10.0978 15.1289 15.1289 15.3478 15.3478 20.4411 20.4411 k = 0.5000-0.1283 0.5217 ( 1746 PWs) bands (ev): 5.4397 5.4397 5.8829 5.8829 6.9103 6.9103 6.9444 6.9444 8.0690 8.0690 8.1579 8.1579 8.2850 8.2850 8.3464 8.3464 8.5748 8.5748 8.7348 8.7348 8.9995 8.9995 9.0798 9.0798 9.4546 9.4546 9.6314 9.6314 9.7123 9.7123 9.7885 9.7885 9.8793 9.8793 10.0249 10.0249 10.1030 10.1030 15.2825 15.2825 15.4901 15.4901 20.2112 20.2112 k = 0.5000-0.1176 0.5292 ( 1750 PWs) bands (ev): 5.4518 5.4518 5.9187 5.9187 6.8769 6.8769 6.9410 6.9410 8.0732 8.0732 8.1635 8.1635 8.2803 8.2803 8.3409 8.3409 8.5712 8.5712 8.6802 8.6802 8.9898 8.9898 9.0763 9.0763 9.4573 9.4573 9.6248 9.6248 9.7059 9.7059 9.7837 9.7837 9.8842 9.8842 10.0296 10.0296 10.1070 10.1070 15.4425 15.4425 15.6388 15.6388 19.9814 19.9814 k = 0.5000-0.1069 0.5368 ( 1746 PWs) bands (ev): 5.4637 5.4637 5.9563 5.9563 6.8414 6.8414 6.9377 6.9377 8.0786 8.0786 8.1691 8.1691 8.2679 8.2679 8.3435 8.3435 8.5670 8.5670 8.6285 8.6285 8.9802 8.9802 9.0726 9.0726 9.4606 9.4606 9.6178 9.6178 9.7006 9.7006 9.7795 9.7795 9.8889 9.8889 10.0343 10.0343 10.1102 10.1102 15.6086 15.6086 15.7936 15.7936 19.7519 19.7519 k = 0.5000-0.0962 0.5443 ( 1742 PWs) bands (ev): 5.4752 5.4752 5.9956 5.9956 6.8038 6.8038 6.9343 6.9343 8.0852 8.0852 8.1746 8.1746 8.2520 8.2520 8.3502 8.3502 8.5584 8.5584 8.5836 8.5836 8.9710 8.9710 9.0689 9.0689 9.4645 9.4645 9.6103 9.6103 9.6964 9.6964 9.7756 9.7756 9.8936 9.8936 10.0390 10.0390 10.1123 10.1123 15.7804 15.7804 15.9539 15.9539 19.5230 19.5230 k = 0.5000-0.0855 0.5519 ( 1750 PWs) bands (ev): 5.4862 5.4862 6.0365 6.0365 6.7643 6.7643 6.9310 6.9310 8.0928 8.0928 8.1799 8.1799 8.2355 8.2355 8.3581 8.3581 8.5249 8.5249 8.5661 8.5661 8.9619 8.9619 9.0651 9.0651 9.4689 9.4689 9.6024 9.6024 9.6933 9.6933 9.7718 9.7718 9.8979 9.8979 10.0435 10.0435 10.1137 10.1137 15.9574 15.9574 16.1196 16.1196 19.2949 19.2949 k = 0.5000-0.0748 0.5595 ( 1750 PWs) bands (ev): 5.4964 5.4964 6.0788 6.0788 6.7231 6.7231 6.9278 6.9278 8.1018 8.1018 8.1848 8.1848 8.2201 8.2201 8.3665 8.3665 8.4821 8.4821 8.5609 8.5609 8.9536 8.9536 9.0614 9.0614 9.4738 9.4738 9.5941 9.5941 9.6911 9.6911 9.7684 9.7684 9.9019 9.9019 10.0479 10.0479 10.1144 10.1144 16.1394 16.1394 16.2904 16.2904 19.0678 19.0678 k = 0.5000-0.0642 0.5670 ( 1750 PWs) bands (ev): 5.5057 5.5057 6.1224 6.1224 6.6804 6.6804 6.9248 6.9248 8.1119 8.1119 8.1884 8.1884 8.2072 8.2072 8.3744 8.3744 8.4410 8.4410 8.5569 8.5569 8.9461 8.9461 9.0579 9.0579 9.4790 9.4790 9.5857 9.5857 9.6897 9.6897 9.7652 9.7652 9.9054 9.9054 10.0520 10.0520 10.1146 10.1146 16.3261 16.3261 16.4660 16.4660 18.8420 18.8420 k = 0.5000-0.0535 0.5746 ( 1750 PWs) bands (ev): 5.5139 5.5139 6.1672 6.1672 6.6363 6.6363 6.9221 6.9221 8.1229 8.1229 8.1862 8.1862 8.2020 8.2020 8.3812 8.3812 8.4031 8.4031 8.5534 8.5534 8.9396 8.9396 9.0547 9.0547 9.4847 9.4847 9.5774 9.5774 9.6890 9.6890 9.7624 9.7624 9.9086 9.9086 10.0558 10.0558 10.1143 10.1143 16.5171 16.5171 16.6462 16.6462 18.6179 18.6179 k = 0.5000-0.0428 0.5821 ( 1756 PWs) bands (ev): 5.5208 5.5208 6.2129 6.2129 6.5909 6.5909 6.9197 6.9197 8.1343 8.1343 8.1778 8.1778 8.2055 8.2055 8.3656 8.3656 8.3895 8.3895 8.5502 8.5502 8.9340 8.9340 9.0518 9.0518 9.4907 9.4907 9.5691 9.5691 9.6887 9.6887 9.7599 9.7599 9.9112 9.9112 10.0592 10.0592 10.1138 10.1138 16.7123 16.7123 16.8306 16.8306 18.3956 18.3956 k = 0.5000-0.0321 0.5897 ( 1756 PWs) bands (ev): 5.5263 5.5263 6.2595 6.2595 6.5447 6.5447 6.9178 6.9178 8.1453 8.1453 8.1699 8.1699 8.2120 8.2120 8.3337 8.3337 8.3945 8.3945 8.5475 8.5475 8.9297 8.9297 9.0495 9.0495 9.4966 9.4966 9.5615 9.5615 9.6887 9.6887 9.7579 9.7579 9.9132 9.9132 10.0620 10.0620 10.1132 10.1132 16.9114 16.9114 17.0191 17.0191 18.1755 18.1755 k = 0.5000-0.0214 0.5973 ( 1756 PWs) bands (ev): 5.5304 5.5304 6.3066 6.3066 6.4978 6.4978 6.9164 6.9164 8.1543 8.1543 8.1644 8.1644 8.2212 8.2212 8.3049 8.3049 8.3984 8.3984 8.5454 8.5454 8.9265 8.9265 9.0478 9.0478 9.5020 9.5020 9.5548 9.5548 9.6888 9.6888 9.7564 9.7564 9.9147 9.9147 10.0641 10.0641 10.1126 10.1126 17.1140 17.1140 17.2113 17.2113 17.9578 17.9578 k = 0.5000-0.0107 0.6048 ( 1746 PWs) bands (ev): 5.5329 5.5329 6.3539 6.3539 6.4506 6.4506 6.9156 6.9156 8.1578 8.1578 8.1637 8.1637 8.2333 8.2333 8.2806 8.2806 8.4010 8.4010 8.5442 8.5442 8.9246 8.9246 9.0469 9.0469 9.5062 9.5062 9.5499 9.5499 9.6889 9.6889 9.7556 9.7556 9.9156 9.9156 10.0655 10.0655 10.1122 10.1122 17.3199 17.3199 17.4062 17.4062 17.7430 17.7430 k = 0.5000-0.0000 0.6124 ( 1744 PWs) bands (ev): 5.5338 5.5338 6.3950 6.3950 6.4096 6.4096 6.9153 6.9153 8.1574 8.1574 8.1650 8.1650 8.2425 8.2425 8.2673 8.2673 8.4019 8.4019 8.5438 8.5438 8.9239 8.9239 9.0466 9.0466 9.5078 9.5078 9.5480 9.5480 9.6890 9.6890 9.7553 9.7553 9.9159 9.9159 10.0660 10.0660 10.1120 10.1120 17.5212 17.5212 17.5322 17.5322 17.5842 17.5842 k = 0.5000-0.0000 0.6124 ( 1744 PWs) bands (ev): 5.5338 5.5338 6.3950 6.3950 6.4096 6.4096 6.9153 6.9153 8.1574 8.1574 8.1650 8.1650 8.2425 8.2425 8.2673 8.2673 8.4019 8.4019 8.5438 8.5438 8.9239 8.9239 9.0466 9.0466 9.5078 9.5078 9.5480 9.5480 9.6890 9.6890 9.7553 9.7553 9.9159 9.9159 10.0660 10.0660 10.1120 10.1120 17.5212 17.5212 17.5322 17.5322 17.5842 17.5842 k = 0.4938 0.0108 0.6124 ( 1749 PWs) bands (ev): 5.5316 5.5316 6.3697 6.3697 6.4325 6.4325 6.9189 6.9189 8.1557 8.1557 8.1645 8.1645 8.2373 8.2373 8.2746 8.2746 8.4021 8.4021 8.5446 8.5446 8.9240 8.9240 9.0457 9.0457 9.5061 9.5061 9.5494 9.5494 9.6870 9.6870 9.7554 9.7554 9.9143 9.9143 10.0701 10.0701 10.1160 10.1160 17.3209 17.3209 17.5369 17.5369 17.6749 17.6749 k = 0.4875 0.0217 0.6124 ( 1751 PWs) bands (ev): 5.5262 5.5262 6.3396 6.3396 6.4547 6.4547 6.9302 6.9302 8.1511 8.1511 8.1623 8.1623 8.2296 8.2296 8.2895 8.2895 8.4025 8.4025 8.5474 8.5474 8.9241 8.9241 9.0430 9.0430 9.5016 9.5016 9.5534 9.5534 9.6802 9.6802 9.7563 9.7563 9.9100 9.9100 10.0783 10.0783 10.1315 10.1315 17.0907 17.0907 17.4991 17.4991 17.8201 17.8201 k = 0.4813 0.0325 0.6124 ( 1753 PWs) bands (ev): 5.5182 5.5182 6.3104 6.3104 6.4697 6.4697 6.9486 6.9486 8.1440 8.1440 8.1583 8.1583 8.2242 8.2242 8.3072 8.3072 8.4029 8.4029 8.5522 8.5522 8.9242 8.9242 9.0386 9.0386 9.4953 9.4953 9.5592 9.5592 9.6680 9.6680 9.7583 9.7583 9.9045 9.9045 10.0852 10.0852 10.1622 10.1622 16.8617 16.8617 17.4639 17.4639 17.9683 17.9683 k = 0.4750 0.0433 0.6124 ( 1753 PWs) bands (ev): 5.5086 5.5086 6.2825 6.2825 6.4777 6.4777 6.9729 6.9729 8.1346 8.1346 8.1531 8.1531 8.2215 8.2215 8.3267 8.3267 8.4028 8.4028 8.5590 8.5590 8.9243 8.9243 9.0326 9.0326 9.4881 9.4881 9.5660 9.5660 9.6512 9.6512 9.7616 9.7616 9.8988 9.8988 10.0905 10.0905 10.2063 10.2063 16.6361 16.6361 17.4309 17.4309 18.1190 18.1190 k = 0.4688 0.0541 0.6124 ( 1747 PWs) bands (ev): 5.4979 5.4979 6.2559 6.2559 6.4799 6.4799 7.0013 7.0013 8.1235 8.1235 8.1474 8.1474 8.2209 8.2209 8.3478 8.3478 8.4024 8.4024 8.5677 8.5677 8.9244 8.9244 9.0250 9.0250 9.4805 9.4805 9.5735 9.5735 9.6310 9.6310 9.7657 9.7657 9.8933 9.8933 10.0952 10.0952 10.2610 10.2610 16.4148 16.4148 17.3999 17.3999 18.2718 18.2718 k = 0.4625 0.0650 0.6124 ( 1751 PWs) bands (ev): 5.4865 5.4865 6.2308 6.2308 6.4778 6.4778 7.0317 7.0317 8.1116 8.1116 8.1414 8.1414 8.2215 8.2215 8.3696 8.3696 8.4017 8.4017 8.5779 8.5779 8.9244 8.9244 9.0157 9.0157 9.4727 9.4727 9.5809 9.5809 9.6094 9.6094 9.7701 9.7701 9.8881 9.8881 10.0997 10.0997 10.3242 10.3242 16.1983 16.1983 17.3710 17.3710 18.4268 18.4268 k = 0.4562 0.0758 0.6124 ( 1751 PWs) bands (ev): 5.4749 5.4749 6.2071 6.2071 6.4726 6.4726 7.0628 7.0628 8.0994 8.0994 8.1354 8.1354 8.2229 8.2229 8.3899 8.3899 8.4030 8.4030 8.5895 8.5895 8.9242 8.9242 9.0050 9.0050 9.4645 9.4645 9.5809 9.5809 9.5948 9.5948 9.7741 9.7741 9.8836 9.8836 10.1043 10.1043 10.3946 10.3946 15.9872 15.9872 17.3442 17.3442 18.5839 18.5840 k = 0.4500 0.0866 0.6124 ( 1749 PWs) bands (ev): 5.4633 5.4633 6.1850 6.1850 6.4654 6.4654 7.0932 7.0932 8.0874 8.0874 8.1295 8.1295 8.2249 8.2249 8.3948 8.3948 8.4203 8.4203 8.6020 8.6020 8.9239 8.9239 8.9932 8.9932 9.4558 9.4558 9.5613 9.5613 9.6006 9.6006 9.7775 9.7775 9.8798 9.8798 10.1088 10.1088 10.4710 10.4710 15.7822 15.7822 17.3193 17.3193 18.7428 18.7428 k = 0.4437 0.0974 0.6124 ( 1749 PWs) bands (ev): 5.4519 5.4519 6.1645 6.1645 6.4572 6.4572 7.1221 7.1221 8.0760 8.0760 8.1238 8.1238 8.2271 8.2271 8.3931 8.3931 8.4445 8.4445 8.6151 8.6151 8.9234 8.9234 8.9802 8.9802 9.4462 9.4462 9.5405 9.5405 9.6091 9.6091 9.7798 9.7798 9.8769 9.8769 10.1132 10.1132 10.5521 10.5521 15.5840 15.5840 17.2965 17.2965 18.9034 18.9034 k = 0.4375 0.1083 0.6124 ( 1747 PWs) bands (ev): 5.4411 5.4411 6.1456 6.1456 6.4485 6.4485 7.1490 7.1490 8.0653 8.0653 8.1183 8.1183 8.2295 8.2295 8.3906 8.3906 8.4698 8.4698 8.6285 8.6285 8.9224 8.9224 8.9664 8.9664 9.4353 9.4353 9.5219 9.5219 9.6178 9.6178 9.7809 9.7809 9.8750 9.8750 10.1174 10.1174 10.6368 10.6368 15.3936 15.3936 17.2756 17.2756 19.0654 19.0655 k = 0.4313 0.1191 0.6124 ( 1743 PWs) bands (ev): 5.4309 5.4309 6.1284 6.1284 6.4397 6.4397 7.1733 7.1733 8.0555 8.0555 8.1133 8.1133 8.2320 8.2320 8.3880 8.3880 8.4956 8.4956 8.6419 8.6419 8.9204 8.9204 8.9525 8.9525 9.4229 9.4229 9.5063 9.5063 9.6267 9.6267 9.7807 9.7807 9.8740 9.8740 10.1214 10.1214 10.7237 10.7237 15.2119 15.2119 17.2568 17.2568 19.2283 19.2285 k = 0.4250 0.1299 0.6124 ( 1741 PWs) bands (ev): 5.4214 5.4214 6.1130 6.1130 6.4313 6.4313 7.1951 7.1951 8.0464 8.0464 8.1087 8.1087 8.2344 8.2344 8.3852 8.3852 8.5216 8.5216 8.6551 8.6551 8.9155 8.9155 8.9403 8.9403 9.4089 9.4089 9.4938 9.4938 9.6355 9.6355 9.7791 9.7791 9.8739 9.8739 10.1251 10.1251 10.8111 10.8111 15.0404 15.0404 17.2399 17.2399 19.3907 19.3907 k = 0.4188 0.1407 0.6124 ( 1743 PWs) bands (ev): 5.4129 5.4129 6.0992 6.0992 6.4234 6.4234 7.2141 7.2141 8.0383 8.0383 8.1044 8.1044 8.2367 8.2367 8.3825 8.3825 8.5474 8.5474 8.6678 8.6678 8.9047 8.9047 8.9331 8.9331 9.3943 9.3943 9.4843 9.4843 9.6441 9.6441 9.7764 9.7764 9.8745 9.8745 10.1284 10.1284 10.8975 10.8975 14.8806 14.8806 17.2250 17.2250 19.5503 19.5503 k = 0.4125 0.1516 0.6124 ( 1747 PWs) bands (ev): 5.4053 5.4053 6.0873 6.0873 6.4162 6.4162 7.2305 7.2305 8.0311 8.0311 8.1006 8.1006 8.2389 8.2389 8.3798 8.3798 8.5727 8.5727 8.6799 8.6799 8.8888 8.8888 8.9302 8.9302 9.3797 9.3797 9.4771 9.4771 9.6524 9.6524 9.7729 9.7729 9.8754 9.8754 10.1313 10.1313 10.9805 10.9805 14.7343 14.7343 17.2122 17.2122 19.7061 19.7062 k = 0.4062 0.1624 0.6124 ( 1746 PWs) bands (ev): 5.3987 5.3987 6.0771 6.0771 6.4100 6.4100 7.2442 7.2442 8.0251 8.0251 8.0974 8.0974 8.2410 8.2410 8.3775 8.3775 8.5971 8.5971 8.6916 8.6916 8.8705 8.8705 8.9290 8.9290 9.3660 9.3660 9.4718 9.4718 9.6603 9.6603 9.7687 9.7687 9.8767 9.8767 10.1338 10.1338 11.0578 11.0578 14.6039 14.6039 17.2013 17.2013 19.8574 19.8574 k = 0.4000 0.1732 0.6124 ( 1744 PWs) bands (ev): 5.3933 5.3933 6.0687 6.0687 6.4048 6.4048 7.2553 7.2553 8.0202 8.0202 8.0948 8.0948 8.2427 8.2427 8.3755 8.3755 8.6199 8.6199 8.7030 8.7030 8.8509 8.8509 8.9284 8.9284 9.3540 9.3540 9.4678 9.4678 9.6677 9.6677 9.7645 9.7645 9.8779 9.8779 10.1358 10.1358 11.1268 11.1268 14.4917 14.4917 17.1924 17.1924 20.0012 20.0012 k = 0.3937 0.1840 0.6124 ( 1742 PWs) bands (ev): 5.3890 5.3890 6.0622 6.0622 6.4007 6.4007 7.2638 7.2638 8.0163 8.0163 8.0928 8.0928 8.2442 8.2442 8.3739 8.3739 8.6398 8.6398 8.7148 8.7148 8.8307 8.8307 8.9281 8.9281 9.3442 9.3442 9.4649 9.4649 9.6741 9.6741 9.7603 9.7603 9.8790 9.8790 10.1375 10.1375 11.1846 11.1846 14.4004 14.4004 17.1854 17.1854 20.1326 20.1326 k = 0.3875 0.1949 0.6124 ( 1744 PWs) bands (ev): 5.3859 5.3859 6.0576 6.0576 6.3977 6.3977 7.2699 7.2699 8.0135 8.0135 8.0913 8.0913 8.2452 8.2452 8.3727 8.3727 8.6554 8.6554 8.7277 8.7277 8.8105 8.8105 8.9280 8.9280 9.3368 9.3368 9.4630 9.4630 9.6792 9.6792 9.7567 9.7567 9.8799 9.8799 10.1386 10.1386 11.2284 11.2284 14.3328 14.3328 17.1805 17.1805 20.2429 20.2429 k = 0.3812 0.2057 0.6124 ( 1744 PWs) bands (ev): 5.3841 5.3841 6.0548 6.0548 6.3959 6.3959 7.2735 7.2735 8.0118 8.0118 8.0904 8.0904 8.2459 8.2459 8.3719 8.3719 8.6651 8.6651 8.7417 8.7417 8.7918 8.7918 8.9280 8.9280 9.3323 9.3323 9.4618 9.4618 9.6825 9.6825 9.7542 9.7542 9.8805 9.8805 10.1393 10.1393 11.2558 11.2558 14.2912 14.2912 17.1775 17.1775 20.3192 20.3192 k = 0.3750 0.2165 0.6124 ( 1738 PWs) bands (ev): 5.3835 5.3835 6.0539 6.0539 6.3953 6.3953 7.2747 7.2747 8.0113 8.0113 8.0901 8.0901 8.2461 8.2461 8.3717 8.3717 8.6684 8.6684 8.7503 8.7503 8.7817 8.7817 8.9280 8.9280 9.3309 9.3309 9.4615 9.4615 9.6838 9.6838 9.7534 9.7534 9.8807 9.8807 10.1396 10.1396 11.2652 11.2652 14.2771 14.2771 17.1765 17.1765 20.3470 20.3470 k = 0.3750 0.2165 0.6124 ( 1738 PWs) bands (ev): 5.3835 5.3835 6.0539 6.0539 6.3953 6.3953 7.2747 7.2747 8.0113 8.0113 8.0901 8.0901 8.2461 8.2461 8.3717 8.3717 8.6684 8.6684 8.7503 8.7503 8.7817 8.7817 8.9280 8.9280 9.3309 9.3309 9.4615 9.4615 9.6838 9.6838 9.7534 9.7534 9.8807 9.8807 10.1396 10.1396 11.2652 11.2652 14.2771 14.2771 17.1765 17.1765 20.3470 20.3470 k = 0.3685 0.2128 0.6018 ( 1746 PWs) bands (ev): 5.3573 5.3573 6.0991 6.0991 6.3501 6.3501 7.2958 7.2958 8.0083 8.0083 8.0580 8.0580 8.2556 8.2556 8.3854 8.3854 8.6436 8.6436 8.7211 8.7211 8.7769 8.7769 8.9135 8.9135 9.3419 9.3419 9.4601 9.4601 9.6815 9.6815 9.7533 9.7533 9.8933 9.8933 10.1597 10.1597 11.3621 11.3621 14.2968 14.2968 17.4190 17.4190 20.2081 20.2081 k = 0.3621 0.2090 0.5913 ( 1746 PWs) bands (ev): 5.3208 5.3208 6.1462 6.1462 6.3127 6.3127 7.3174 7.3174 8.0025 8.0025 8.0295 8.0295 8.2643 8.2643 8.3996 8.3996 8.6149 8.6149 8.6947 8.6947 8.7768 8.7768 8.9005 8.9005 9.3530 9.3530 9.4588 9.4588 9.6783 9.6783 9.7536 9.7536 9.9090 9.9090 10.1811 10.1811 11.4607 11.4607 14.3177 14.3177 17.6644 17.6644 20.0718 20.0718 k = 0.3556 0.2053 0.5807 ( 1750 PWs) bands (ev): 5.2733 5.2733 6.1950 6.1950 6.2842 6.2842 7.3394 7.3394 7.9829 7.9829 8.0153 8.0153 8.2718 8.2718 8.4141 8.4141 8.5860 8.5860 8.6696 8.6696 8.7784 8.7784 8.8894 8.8894 9.3639 9.3639 9.4576 9.4576 9.6741 9.6741 9.7541 9.7541 9.9282 9.9282 10.2040 10.2040 11.5610 11.5610 14.3399 14.3399 17.9120 17.9120 19.9380 19.9380 k = 0.3491 0.2016 0.5701 ( 1758 PWs) bands (ev): 5.2147 5.2147 6.2456 6.2456 6.2651 6.2651 7.3616 7.3616 7.9532 7.9532 8.0120 8.0120 8.2778 8.2778 8.4286 8.4286 8.5589 8.5589 8.6454 8.6454 8.7798 8.7798 8.8803 8.8803 9.3746 9.3746 9.4566 9.4566 9.6690 9.6690 9.7547 9.7547 9.9510 9.9510 10.2285 10.2285 11.6629 11.6629 14.3635 14.3635 18.1609 18.1609 19.8069 19.8069 k = 0.3427 0.1978 0.5596 ( 1758 PWs) bands (ev): 5.1459 5.1459 6.2552 6.2552 6.2979 6.2979 7.3839 7.3839 7.9221 7.9221 8.0111 8.0111 8.2823 8.2823 8.4434 8.4434 8.5340 8.5340 8.6222 8.6222 8.7808 8.7808 8.8736 8.8736 9.3850 9.3850 9.4559 9.4559 9.6631 9.6631 9.7552 9.7552 9.9776 9.9776 10.2545 10.2545 11.7664 11.7664 14.3886 14.3886 18.4097 18.4097 19.6783 19.6783 k = 0.3362 0.1941 0.5490 ( 1758 PWs) bands (ev): 5.0680 5.0680 6.2536 6.2536 6.3517 6.3517 7.4062 7.4062 7.8911 7.8911 8.0112 8.0112 8.2849 8.2849 8.4581 8.4581 8.5112 8.5112 8.6000 8.6000 8.7808 8.7808 8.8691 8.8691 9.3951 9.3951 9.4556 9.4556 9.6567 9.6567 9.7557 9.7557 10.0082 10.0082 10.2823 10.2823 11.8715 11.8715 14.4151 14.4151 18.6563 18.6563 19.5523 19.5523 k = 0.3297 0.1904 0.5385 ( 1764 PWs) bands (ev): 4.9824 4.9824 6.2593 6.2593 6.4070 6.4070 7.4283 7.4283 7.8605 7.8605 8.0119 8.0119 8.2852 8.2852 8.4724 8.4724 8.4903 8.4903 8.5793 8.5793 8.7801 8.7801 8.8665 8.8665 9.4047 9.4047 9.4558 9.4558 9.6498 9.6498 9.7556 9.7556 10.0429 10.0429 10.3118 10.3118 11.9782 11.9782 14.4431 14.4431 18.8970 18.8970 19.4291 19.4291 k = 0.3233 0.1866 0.5279 ( 1764 PWs) bands (ev): 4.8906 4.8906 6.2711 6.2711 6.4637 6.4637 7.4503 7.4503 7.8307 7.8307 8.0131 8.0131 8.2835 8.2835 8.4704 8.4704 8.4861 8.4861 8.5611 8.5611 8.7793 8.7793 8.8654 8.8654 9.4137 9.4137 9.4565 9.4565 9.6426 9.6426 9.7557 9.7557 10.0815 10.0815 10.3433 10.3433 12.0864 12.0864 14.4728 14.4728 19.1247 19.1247 19.3087 19.3087 k = 0.3168 0.1829 0.5173 ( 1762 PWs) bands (ev): 4.7939 4.7939 6.2880 6.2880 6.5216 6.5216 7.4718 7.4718 7.8016 7.8016 8.0148 8.0148 8.2794 8.2794 8.4518 8.4518 8.4962 8.4962 8.5480 8.5480 8.7787 8.7787 8.8655 8.8655 9.4219 9.4219 9.4578 9.4578 9.6352 9.6352 9.7555 9.7555 10.1242 10.1242 10.3767 10.3767 12.1962 12.1962 14.5042 14.5042 19.1894 19.1894 19.3271 19.3271 k = 0.3103 0.1792 0.5068 ( 1762 PWs) bands (ev): 4.6935 4.6935 6.3090 6.3090 6.5807 6.5807 7.4928 7.4928 7.7734 7.7734 8.0169 8.0169 8.2730 8.2730 8.4334 8.4334 8.4986 8.4986 8.5447 8.5447 8.7785 8.7785 8.8664 8.8664 9.4293 9.4293 9.4599 9.4599 9.6277 9.6277 9.7552 9.7552 10.1710 10.1710 10.4124 10.4124 12.3075 12.3075 14.5373 14.5373 19.0745 19.0745 19.3914 19.3914 k = 0.3039 0.1754 0.4962 ( 1758 PWs) bands (ev): 4.5905 4.5905 6.3334 6.3334 6.6408 6.6408 7.5130 7.5130 7.7461 7.7461 8.0195 8.0195 8.2645 8.2645 8.4147 8.4147 8.4927 8.4927 8.5521 8.5521 8.7789 8.7789 8.8681 8.8681 9.4356 9.4356 9.4629 9.4629 9.6203 9.6203 9.7547 9.7547 10.2217 10.2217 10.4503 10.4503 12.4203 12.4203 14.5723 14.5723 18.9618 18.9618 19.2600 19.2600 k = 0.2974 0.1717 0.4857 ( 1758 PWs) bands (ev): 4.4856 4.4856 6.3605 6.3605 6.7019 6.7019 7.5324 7.5324 7.7199 7.7199 8.0224 8.0224 8.2538 8.2538 8.3953 8.3953 8.4845 8.4845 8.5645 8.5645 8.7799 8.7799 8.8705 8.8705 9.4408 9.4408 9.4667 9.4667 9.6131 9.6131 9.7539 9.7539 10.2764 10.2764 10.4906 10.4906 12.5346 12.5346 14.6091 14.6091 18.8518 18.8518 19.1286 19.1286 k = 0.2909 0.1680 0.4751 ( 1750 PWs) bands (ev): 4.3795 4.3795 6.3898 6.3898 6.7637 6.7637 7.5505 7.5505 7.6950 7.6950 8.0258 8.0258 8.2413 8.2413 8.3751 8.3751 8.4773 8.4773 8.5786 8.5786 8.7814 8.7814 8.8740 8.8740 9.4452 9.4452 9.4713 9.4713 9.6063 9.6063 9.7530 9.7530 10.3350 10.3350 10.5335 10.5335 12.6503 12.6503 14.6478 14.6478 18.7445 18.7445 18.9986 18.9986 k = 0.2845 0.1642 0.4646 ( 1762 PWs) bands (ev): 4.2727 4.2727 6.4207 6.4207 6.8261 6.8261 7.5668 7.5668 7.6716 7.6716 8.0293 8.0293 8.2270 8.2270 8.3539 8.3539 8.4717 8.4717 8.5929 8.5929 8.7832 8.7832 8.8781 8.8781 9.4486 9.4486 9.4759 9.4759 9.5998 9.5998 9.7518 9.7518 10.3973 10.3973 10.5790 10.5790 12.7674 12.7674 14.6885 14.6885 18.6398 18.6398 18.8701 18.8702 k = 0.2780 0.1605 0.4540 ( 1754 PWs) bands (ev): 4.1659 4.1659 6.4531 6.4531 6.8890 6.8890 7.5804 7.5804 7.6511 7.6511 8.0333 8.0333 8.2116 8.2116 8.3323 8.3323 8.4680 8.4680 8.6074 8.6074 8.7855 8.7855 8.8832 8.8832 9.4518 9.4518 9.4807 9.4807 9.5941 9.5941 9.7506 9.7506 10.4633 10.4633 10.6275 10.6275 12.8860 12.8860 14.7313 14.7313 18.5379 18.5379 18.7434 18.7434 k = 0.2716 0.1568 0.4434 ( 1756 PWs) bands (ev): 4.0593 4.0593 6.4867 6.4867 6.9522 6.9522 7.5874 7.5874 7.6368 7.6368 8.0375 8.0375 8.1949 8.1949 8.3100 8.3100 8.4659 8.4659 8.6216 8.6216 8.7882 8.7882 8.8891 8.8891 9.4545 9.4545 9.4852 9.4852 9.5890 9.5890 9.7491 9.7491 10.5330 10.5330 10.6789 10.6789 13.0059 13.0059 14.7762 14.7762 18.4388 18.4388 18.6185 18.6185 k = 0.2651 0.1530 0.4329 ( 1756 PWs) bands (ev): 3.9533 3.9533 6.5210 6.5210 7.0156 7.0156 7.5820 7.5820 7.6347 7.6347 8.0419 8.0419 8.1775 8.1775 8.2874 8.2874 8.4651 8.4651 8.6356 8.6356 8.7917 8.7917 8.8957 8.8957 9.4570 9.4570 9.4893 9.4893 9.5849 9.5849 9.7474 9.7474 10.6062 10.6062 10.7334 10.7334 13.1272 13.1272 14.8233 14.8233 18.3424 18.3424 18.4954 18.4954 k = 0.2586 0.1493 0.4223 ( 1750 PWs) bands (ev): 3.8482 3.8482 6.5560 6.5560 7.0787 7.0787 7.5675 7.5675 7.6414 7.6414 8.0465 8.0465 8.1598 8.1598 8.2647 8.2647 8.4653 8.4653 8.6492 8.6492 8.7962 8.7962 8.9028 8.9028 9.4593 9.4593 9.4930 9.4930 9.5817 9.5817 9.7456 9.7456 10.6830 10.6830 10.7913 10.7913 13.2498 13.2498 14.8725 14.8725 18.2488 18.2488 18.3744 18.3744 k = 0.2522 0.1456 0.4118 ( 1750 PWs) bands (ev): 3.7442 3.7442 6.5914 6.5914 7.1415 7.1415 7.5504 7.5504 7.6503 7.6503 8.0506 8.0506 8.1421 8.1421 8.2417 8.2417 8.4660 8.4660 8.6624 8.6624 8.8017 8.8017 8.9104 8.9104 9.4613 9.4613 9.4963 9.4963 9.5795 9.5795 9.7436 9.7436 10.7631 10.7631 10.8525 10.8525 13.3736 13.3736 14.9240 14.9240 18.1581 18.1581 18.2555 18.2555 k = 0.2457 0.1418 0.4012 ( 1750 PWs) bands (ev): 3.6416 3.6416 6.6269 6.6269 7.2036 7.2036 7.5332 7.5332 7.6590 7.6590 8.0538 8.0538 8.1253 8.1253 8.2187 8.2187 8.4671 8.4671 8.6755 8.6755 8.8086 8.8086 8.9181 8.9181 9.4630 9.4630 9.4992 9.4992 9.5784 9.5784 9.7413 9.7413 10.8464 10.8464 10.9174 10.9174 13.4987 13.4987 14.9777 14.9777 18.0701 18.0701 18.1387 18.1387 k = 0.2392 0.1381 0.3907 ( 1750 PWs) bands (ev): 3.5404 3.5404 6.6626 6.6626 7.2643 7.2643 7.5171 7.5171 7.6666 7.6666 8.0547 8.0547 8.1112 8.1112 8.1957 8.1957 8.4681 8.4681 8.6886 8.6886 8.8169 8.8169 8.9259 8.9259 9.4644 9.4644 9.5020 9.5020 9.5781 9.5781 9.7389 9.7389 10.9329 10.9329 10.9860 10.9860 13.6249 13.6249 15.0338 15.0338 17.9848 17.9848 18.0243 18.0243 k = 0.2328 0.1344 0.3801 ( 1760 PWs) bands (ev): 3.4409 3.4409 6.6981 6.6981 7.3229 7.3229 7.5026 7.5026 7.6729 7.6729 8.0506 8.0506 8.1022 8.1022 8.1726 8.1726 8.4689 8.4689 8.7019 8.7019 8.8265 8.8265 8.9337 8.9337 9.4656 9.4656 9.5047 9.5047 9.5786 9.5786 9.7362 9.7362 11.0221 11.0221 11.0586 11.0586 13.7521 13.7521 15.0921 15.0921 17.9005 17.9005 17.9142 17.9142 k = 0.2263 0.1307 0.3695 ( 1760 PWs) bands (ev): 3.3433 3.3433 6.7334 6.7334 7.3770 7.3770 7.4922 7.4922 7.6778 7.6778 8.0406 8.0406 8.1001 8.1001 8.1498 8.1498 8.4690 8.4690 8.7158 8.7158 8.8374 8.8374 8.9413 8.9413 9.4666 9.4666 9.5075 9.5075 9.5797 9.5797 9.7333 9.7333 11.1135 11.1135 11.1362 11.1362 13.8804 13.8804 15.1527 15.1527 17.7994 17.7994 17.8262 17.8262 k = 0.2198 0.1269 0.3590 ( 1752 PWs) bands (ev): 3.2475 3.2475 6.7687 6.7687 7.4179 7.4179 7.4942 7.4942 7.6815 7.6815 8.0271 8.0271 8.1028 8.1028 8.1271 8.1271 8.4686 8.4686 8.7306 8.7306 8.8495 8.8495 8.9489 8.9489 9.4676 9.4676 9.5105 9.5105 9.5814 9.5814 9.7302 9.7302 11.2043 11.2043 11.2213 11.2213 14.0096 14.0096 15.2156 15.2156 17.6922 17.6922 17.7497 17.7497 k = 0.2134 0.1232 0.3484 ( 1752 PWs) bands (ev): 3.1539 3.1539 6.8034 6.8034 7.4301 7.4301 7.5229 7.5229 7.6837 7.6837 8.0124 8.0124 8.1037 8.1037 8.1090 8.1090 8.4675 8.4675 8.7462 8.7462 8.8625 8.8625 8.9562 8.9562 9.4684 9.4684 9.5136 9.5136 9.5834 9.5834 9.7268 9.7268 11.2922 11.2922 11.3163 11.3163 14.1395 14.1395 15.2807 15.2807 17.5870 17.5870 17.6769 17.6769 k = 0.2069 0.1195 0.3379 ( 1752 PWs) bands (ev): 3.0623 3.0623 6.8376 6.8376 7.4252 7.4252 7.5665 7.5665 7.6848 7.6848 7.9984 7.9984 8.0818 8.0818 8.1150 8.1150 8.4656 8.4656 8.7627 8.7627 8.8762 8.8762 8.9638 8.9638 9.4694 9.4694 9.5168 9.5168 9.5856 9.5856 9.7232 9.7232 11.3813 11.3813 11.4172 11.4172 14.2700 14.2700 15.3480 15.3480 17.4841 17.4841 17.6076 17.6076 k = 0.2004 0.1157 0.3273 ( 1752 PWs) bands (ev): 2.9730 2.9730 6.8713 6.8713 7.4162 7.4162 7.6101 7.6101 7.6852 7.6852 7.9866 7.9866 8.0597 8.0597 8.1222 8.1222 8.4631 8.4631 8.7801 8.7801 8.8904 8.8904 8.9717 8.9717 9.4706 9.4706 9.5203 9.5203 9.5880 9.5880 9.7192 9.7192 11.4737 11.4737 11.5217 11.5217 14.4011 14.4011 15.4172 15.4172 17.3836 17.3836 17.5418 17.5418 k = 0.1940 0.1120 0.3167 ( 1753 PWs) bands (ev): 2.8860 2.8860 6.9044 6.9044 7.4065 7.4065 7.6469 7.6469 7.6871 7.6871 7.9785 7.9785 8.0379 8.0379 8.1300 8.1300 8.4598 8.4598 8.7982 8.7982 8.9052 8.9052 8.9798 8.9798 9.4719 9.4719 9.5239 9.5239 9.5904 9.5904 9.7151 9.7151 11.5699 11.5699 11.6294 11.6294 14.5323 14.5323 15.4884 15.4884 17.2857 17.2857 17.4796 17.4796 k = 0.1875 0.1083 0.3062 ( 1757 PWs) bands (ev): 2.8014 2.8014 6.9368 6.9368 7.3971 7.3971 7.6656 7.6656 7.6988 7.6988 7.9755 7.9755 8.0170 8.0170 8.1382 8.1382 8.4562 8.4562 8.8166 8.8166 8.9202 8.9202 8.9886 8.9886 9.4735 9.4735 9.5275 9.5275 9.5927 9.5927 9.7107 9.7107 11.6702 11.6702 11.7401 11.7401 14.6635 14.6635 15.5613 15.5613 17.1903 17.1903 17.4214 17.4214 k = 0.1810 0.1045 0.2956 ( 1755 PWs) bands (ev): 2.7192 2.7192 6.9685 6.9685 7.3885 7.3885 7.6668 7.6668 7.7177 7.7177 7.9762 7.9762 8.0002 8.0002 8.1467 8.1467 8.4522 8.4522 8.8353 8.8353 8.9355 8.9355 8.9983 8.9983 9.4754 9.4754 9.5313 9.5313 9.5951 9.5951 9.7061 9.7061 11.7745 11.7745 11.8536 11.8536 14.7944 14.7944 15.6356 15.6356 17.0977 17.0977 17.3674 17.3674 k = 0.1746 0.1008 0.2851 ( 1751 PWs) bands (ev): 2.6395 2.6395 6.9994 6.9994 7.3805 7.3805 7.6630 7.6630 7.7303 7.7303 7.9661 7.9661 8.0026 8.0026 8.1556 8.1556 8.4483 8.4483 8.8540 8.8540 8.9511 8.9511 9.0094 9.0094 9.4774 9.4774 9.5351 9.5351 9.5973 9.5973 9.7012 9.7012 11.8830 11.8830 11.9700 11.9700 14.9244 14.9244 15.7111 15.7111 17.0077 17.0077 17.3179 17.3179 k = 0.1681 0.0971 0.2745 ( 1759 PWs) bands (ev): 2.5624 2.5624 7.0294 7.0294 7.3733 7.3733 7.6573 7.6573 7.7342 7.7342 7.9469 7.9469 8.0213 8.0213 8.1647 8.1647 8.4439 8.4439 8.8722 8.8722 8.9667 8.9667 9.0218 9.0218 9.4796 9.4796 9.5390 9.5390 9.5994 9.5994 9.6959 9.6959 11.9955 11.9955 12.0892 12.0892 15.0532 15.0532 15.7873 15.7873 16.9205 16.9205 17.2735 17.2735 k = 0.1616 0.0933 0.2640 ( 1759 PWs) bands (ev): 2.4879 2.4879 7.0586 7.0586 7.3669 7.3669 7.6505 7.6505 7.7313 7.7313 7.9264 7.9264 8.0464 8.0464 8.1741 8.1741 8.4397 8.4397 8.8901 8.8901 8.9825 8.9825 9.0357 9.0357 9.4820 9.4820 9.5429 9.5429 9.6014 9.6014 9.6904 9.6904 12.1121 12.1121 12.2111 12.2111 15.1799 15.1799 15.8637 15.8637 16.8361 16.8361 17.2347 17.2347 k = 0.1552 0.0896 0.2534 ( 1759 PWs) bands (ev): 2.4160 2.4160 7.0869 7.0869 7.3615 7.3615 7.6429 7.6429 7.7238 7.7238 7.9057 7.9057 8.0738 8.0738 8.1840 8.1840 8.4355 8.4355 8.9075 8.9075 8.9985 8.9985 9.0512 9.0512 9.4846 9.4846 9.5468 9.5468 9.6034 9.6034 9.6847 9.6847 12.2328 12.2328 12.3358 12.3358 15.3037 15.3037 15.9397 15.9397 16.7546 16.7546 17.2024 17.2024 k = 0.1487 0.0859 0.2428 ( 1759 PWs) bands (ev): 2.3468 2.3468 7.1143 7.1143 7.3571 7.3571 7.6348 7.6348 7.7131 7.7131 7.8852 7.8852 8.1012 8.1012 8.1941 8.1941 8.4315 8.4315 8.9247 8.9247 9.0145 9.0145 9.0681 9.0681 9.4870 9.4870 9.5506 9.5506 9.6051 9.6051 9.6786 9.6786 12.3574 12.3574 12.4631 12.4631 15.4236 15.4236 16.0145 16.0145 16.6761 16.6761 17.1776 17.1776 k = 0.1422 0.0821 0.2323 ( 1759 PWs) bands (ev): 2.2803 2.2803 7.1408 7.1408 7.3534 7.3534 7.6261 7.6261 7.7008 7.7008 7.8649 7.8649 8.1270 8.1270 8.2047 8.2047 8.4279 8.4279 8.9418 8.9418 9.0305 9.0305 9.0862 9.0862 9.4896 9.4896 9.5545 9.5545 9.6068 9.6068 9.6723 9.6723 12.4859 12.4859 12.5932 12.5932 15.5381 15.5381 16.0871 16.0871 16.6006 16.6006 17.1615 17.1615 k = 0.1358 0.0784 0.2217 ( 1761 PWs) bands (ev): 2.2166 2.2166 7.1661 7.1661 7.3506 7.3506 7.6169 7.6169 7.6876 7.6876 7.8447 7.8447 8.1502 8.1502 8.2159 8.2159 8.4247 8.4247 8.9590 8.9590 9.0465 9.0465 9.1052 9.1052 9.4921 9.4921 9.5583 9.5583 9.6083 9.6083 9.6658 9.6658 12.6183 12.6183 12.7258 12.7258 15.6457 15.6457 16.1563 16.1563 16.5283 16.5283 17.1556 17.1556 k = 0.1293 0.0747 0.2112 ( 1761 PWs) bands (ev): 2.1557 2.1557 7.1905 7.1905 7.3487 7.3487 7.6075 7.6075 7.6739 7.6739 7.8249 7.8249 8.1701 8.1701 8.2276 8.2276 8.4220 8.4220 8.9766 8.9766 9.0625 9.0625 9.1250 9.1250 9.4946 9.4946 9.5621 9.5621 9.6097 9.6097 9.6589 9.6589 12.7544 12.7544 12.8611 12.8611 15.7445 15.7445 16.2203 16.2203 16.4598 16.4598 17.1616 17.1616 k = 0.1228 0.0709 0.2006 ( 1755 PWs) bands (ev): 2.0976 2.0976 7.2138 7.2138 7.3478 7.3478 7.5980 7.5980 7.6601 7.6601 7.8055 7.8055 8.1867 8.1867 8.2395 8.2395 8.4198 8.4198 8.9948 8.9948 9.0783 9.0783 9.1451 9.1451 9.4969 9.4969 9.5659 9.5659 9.6110 9.6110 9.6520 9.6520 12.8941 12.8941 12.9991 12.9991 15.8327 15.8327 16.2760 16.2760 16.3967 16.3967 17.1809 17.1809 k = 0.1164 0.0672 0.1900 ( 1759 PWs) bands (ev): 2.0423 2.0423 7.2358 7.2358 7.3477 7.3477 7.5883 7.5883 7.6465 7.6465 7.7863 7.7863 8.2003 8.2003 8.2508 8.2508 8.4183 8.4183 9.0136 9.0136 9.0940 9.0940 9.1654 9.1654 9.4989 9.4989 9.5695 9.5695 9.6120 9.6120 9.6447 9.6447 13.0373 13.0373 13.1395 13.1395 15.9085 15.9085 16.3019 16.3019 16.3593 16.3593 17.2121 17.2121 k = 0.1099 0.0635 0.1795 ( 1763 PWs) bands (ev): 1.9899 1.9899 7.2566 7.2566 7.3485 7.3485 7.5787 7.5787 7.6331 7.6331 7.7674 7.7674 8.2117 8.2117 8.2611 8.2611 8.4174 8.4174 9.0330 9.0330 9.1094 9.1094 9.1856 9.1856 9.5008 9.5008 9.5729 9.5729 9.6129 9.6129 9.6373 9.6373 13.1839 13.1839 13.2825 13.2825 15.9710 15.9710 16.2589 16.2589 16.3857 16.3857 17.1949 17.1949 k = 0.1034 0.0597 0.1689 ( 1761 PWs) bands (ev): 1.9404 1.9404 7.2761 7.2761 7.3503 7.3503 7.5691 7.5691 7.6203 7.6203 7.7491 7.7491 8.2215 8.2215 8.2698 8.2698 8.4172 8.4172 9.0529 9.0529 9.1247 9.1247 9.2055 9.2055 9.5024 9.5024 9.5762 9.5762 9.6137 9.6137 9.6299 9.6299 13.3337 13.3337 13.4279 13.4279 16.0202 16.0202 16.2045 16.2045 16.4177 16.4177 17.1511 17.1511 k = 0.0970 0.0560 0.1584 ( 1763 PWs) bands (ev): 1.8938 1.8938 7.2941 7.2941 7.3532 7.3532 7.5597 7.5597 7.6080 7.6080 7.7313 7.7313 8.2301 8.2301 8.2766 8.2766 8.4175 8.4175 9.0732 9.0732 9.1396 9.1396 9.2250 9.2250 9.5036 9.5036 9.5790 9.5790 9.6142 9.6142 9.6227 9.6227 13.4865 13.4865 13.5758 13.5758 16.0569 16.0569 16.1515 16.1515 16.4423 16.4423 17.1065 17.1065 k = 0.0905 0.0523 0.1478 ( 1759 PWs) bands (ev): 1.8501 1.8501 7.3104 7.3104 7.3573 7.3573 7.5505 7.5505 7.5963 7.5963 7.7140 7.7140 8.2377 8.2377 8.2817 8.2817 8.4183 8.4183 9.0937 9.0937 9.1543 9.1543 9.2441 9.2441 9.5046 9.5046 9.5812 9.5812 9.6129 9.6129 9.6178 9.6178 13.6421 13.6421 13.7259 13.7259 16.0828 16.0828 16.1014 16.1014 16.4588 16.4588 17.0616 17.0616 k = 0.0841 0.0485 0.1373 ( 1763 PWs) bands (ev): 1.8094 1.8094 7.3249 7.3249 7.3628 7.3628 7.5415 7.5415 7.5851 7.5851 7.6973 7.6973 8.2444 8.2444 8.2850 8.2850 8.4192 8.4192 9.1140 9.1140 9.1685 9.1685 9.2625 9.2625 9.5052 9.5052 9.5818 9.5818 9.6083 9.6083 9.6170 9.6170 13.8002 13.8002 13.8784 13.8784 16.0543 16.0543 16.0999 16.0999 16.4676 16.4676 17.0159 17.0159 k = 0.0776 0.0448 0.1267 ( 1769 PWs) bands (ev): 1.7716 1.7716 7.3372 7.3372 7.3695 7.3695 7.5329 7.5329 7.5746 7.5746 7.6812 7.6812 8.2504 8.2504 8.2870 8.2870 8.4205 8.4205 9.1340 9.1340 9.1822 9.1822 9.2803 9.2803 9.5053 9.5053 9.5798 9.5798 9.6050 9.6050 9.6173 9.6173 13.9606 13.9606 14.0329 14.0329 16.0105 16.0105 16.1101 16.1101 16.4698 16.4698 16.9689 16.9689 k = 0.0711 0.0411 0.1161 ( 1771 PWs) bands (ev): 1.7368 1.7368 7.3477 7.3477 7.3776 7.3776 7.5246 7.5246 7.5646 7.5646 7.6660 7.6660 8.2559 8.2559 8.2880 8.2880 8.4218 8.4218 9.1535 9.1535 9.1955 9.1955 9.2975 9.2975 9.5050 9.5050 9.5747 9.5747 9.6042 9.6042 9.6176 9.6176 14.1229 14.1229 14.1895 14.1895 15.9700 15.9700 16.1152 16.1152 16.4665 16.4665 16.9199 16.9199 k = 0.0647 0.0373 0.1056 ( 1771 PWs) bands (ev): 1.7050 1.7050 7.3568 7.3568 7.3863 7.3863 7.5168 7.5168 7.5551 7.5551 7.6519 7.6519 8.2607 8.2607 8.2883 8.2883 8.4231 8.4231 9.1722 9.1722 9.2081 9.2081 9.3141 9.3141 9.5044 9.5044 9.5675 9.5675 9.6053 9.6053 9.6180 9.6180 14.2867 14.2867 14.3479 14.3479 15.9329 15.9329 16.1167 16.1167 16.4586 16.4586 16.8682 16.8682 k = 0.0582 0.0336 0.0950 ( 1769 PWs) bands (ev): 1.6762 1.6762 7.3652 7.3652 7.3950 7.3950 7.5095 7.5095 7.5460 7.5460 7.6388 7.6388 8.2650 8.2650 8.2881 8.2881 8.4245 8.4245 9.1899 9.1899 9.2200 9.2200 9.3300 9.3300 9.5033 9.5033 9.5591 9.5591 9.6072 9.6072 9.6185 9.6185 14.4516 14.4516 14.5078 14.5078 15.8992 15.8992 16.1157 16.1157 16.4467 16.4467 16.8127 16.8127 k = 0.0517 0.0299 0.0845 ( 1777 PWs) bands (ev): 1.6504 1.6504 7.3733 7.3733 7.4029 7.4029 7.5025 7.5025 7.5370 7.5370 7.6271 7.6271 8.2687 8.2687 8.2874 8.2874 8.4257 8.4257 9.2063 9.2063 9.2308 9.2308 9.3452 9.3452 9.5019 9.5019 9.5501 9.5501 9.6093 9.6093 9.6188 9.6188 14.6170 14.6170 14.6690 14.6690 15.8691 15.8691 16.1131 16.1131 16.4311 16.4311 16.7523 16.7523 k = 0.0453 0.0261 0.0739 ( 1779 PWs) bands (ev): 1.6276 1.6276 7.3816 7.3816 7.4100 7.4100 7.4962 7.4962 7.5281 7.5281 7.6169 7.6169 8.2719 8.2719 8.2865 8.2865 8.4268 8.4268 9.2215 9.2215 9.2409 9.2409 9.3599 9.3599 9.5001 9.5001 9.5408 9.5408 9.6115 9.6115 9.6190 9.6190 14.7821 14.7821 14.8310 14.8310 15.8425 15.8425 16.1097 16.1097 16.4113 16.4113 16.6858 16.6858 k = 0.0388 0.0224 0.0633 ( 1783 PWs) bands (ev): 1.6078 1.6078 7.3899 7.3899 7.4161 7.4161 7.4905 7.4905 7.5190 7.5190 7.6083 7.6083 8.2746 8.2746 8.2855 8.2855 8.4277 8.4277 9.2351 9.2351 9.2498 9.2498 9.3738 9.3738 9.4982 9.4982 9.5314 9.5314 9.6135 9.6135 9.6192 9.6192 14.9461 14.9461 14.9930 14.9930 15.8195 15.8195 16.1058 16.1058 16.3865 16.3865 16.6121 16.6121 k = 0.0323 0.0187 0.0528 ( 1787 PWs) bands (ev): 1.5911 1.5911 7.3985 7.3985 7.4213 7.4213 7.4855 7.4855 7.5097 7.5097 7.6015 7.6015 8.2768 8.2768 8.2845 8.2845 8.4285 8.4285 9.2470 9.2470 9.2576 9.2576 9.3870 9.3870 9.4960 9.4960 9.5221 9.5221 9.6153 9.6153 9.6194 9.6194 15.1079 15.1079 15.1541 15.1541 15.8002 15.8002 16.1021 16.1021 16.3549 16.3549 16.5300 16.5300 k = 0.0259 0.0149 0.0422 ( 1799 PWs) bands (ev): 1.5774 1.5774 7.4070 7.4070 7.4252 7.4252 7.4812 7.4812 7.5003 7.5003 7.5961 7.5961 8.2785 8.2785 8.2835 8.2835 8.4291 8.4291 9.2568 9.2568 9.2639 9.2639 9.3991 9.3991 9.4939 9.4939 9.5129 9.5129 9.6169 9.6169 9.6195 9.6195 15.2656 15.2656 15.3126 15.3126 15.7847 15.7847 16.0986 16.0986 16.3138 16.3138 16.4393 16.4393 k = 0.0194 0.0112 0.0317 ( 1803 PWs) bands (ev): 1.5667 1.5667 7.4155 7.4155 7.4284 7.4284 7.4777 7.4777 7.4910 7.4910 7.5923 7.5923 8.2799 8.2799 8.2827 8.2827 8.4296 8.4296 9.2648 9.2648 9.2690 9.2690 9.4101 9.4101 9.4921 9.4921 9.5043 9.5043 9.6181 9.6181 9.6197 9.6197 15.4161 15.4161 15.4660 15.4660 15.7736 15.7736 16.0957 16.0957 16.2604 16.2604 16.3407 16.3407 k = 0.0129 0.0075 0.0211 ( 1807 PWs) bands (ev): 1.5591 1.5591 7.4234 7.4234 7.4305 7.4305 7.4752 7.4752 7.4825 7.4825 7.5898 7.5898 8.2808 8.2808 8.2821 8.2821 8.4299 8.4299 9.2707 9.2707 9.2725 9.2725 9.4194 9.4194 9.4906 9.4906 9.4968 9.4968 9.6191 9.6191 9.6197 9.6197 15.5527 15.5527 15.6095 15.6095 15.7684 15.7684 16.0935 16.0935 16.1946 16.1946 16.2376 16.2376 k = 0.0065 0.0037 0.0106 ( 1807 PWs) bands (ev): 1.5545 1.5545 7.4297 7.4297 7.4319 7.4319 7.4736 7.4736 7.4758 7.4758 7.5884 7.5884 8.2814 8.2814 8.2817 8.2817 8.4302 8.4302 9.2743 9.2743 9.2747 9.2747 9.4259 9.4259 9.4896 9.4896 9.4913 9.4913 9.6196 9.6196 9.6198 9.6198 15.6558 15.6558 15.7304 15.7304 15.7743 15.7743 16.0922 16.0922 16.1260 16.1260 16.1413 16.1413 k = 0.0000 0.0000 0.0000 ( 1807 PWs) bands (ev): 1.5530 1.5530 7.4323 7.4323 7.4323 7.4323 7.4731 7.4731 7.4731 7.4731 7.5879 7.5879 8.2816 8.2816 8.2816 8.2816 8.4302 8.4302 9.2755 9.2755 9.2755 9.2755 9.4284 9.4284 9.4893 9.4893 9.4893 9.4893 9.6198 9.6198 9.6198 9.6198 15.6917 15.6917 15.7873 15.7873 15.7873 15.7873 16.0903 16.0903 16.0903 16.0903 16.0947 16.0947 k = 0.0000 0.0000 0.0000 ( 1807 PWs) bands (ev): 1.5530 1.5530 7.4323 7.4323 7.4323 7.4323 7.4731 7.4731 7.4731 7.4731 7.5879 7.5879 8.2816 8.2816 8.2816 8.2816 8.4302 8.4302 9.2755 9.2755 9.2755 9.2755 9.4284 9.4284 9.4893 9.4893 9.4893 9.4893 9.6198 9.6198 9.6198 9.6198 15.6917 15.6917 15.7873 15.7873 15.7873 15.7873 16.0903 16.0903 16.0903 16.0903 16.0947 16.0947 k = 0.0106 0.0061 0.0043 ( 1807 PWs) bands (ev): 1.5546 1.5546 7.4302 7.4302 7.4313 7.4313 7.4736 7.4736 7.4759 7.4759 7.5884 7.5884 8.2815 8.2815 8.2817 8.2817 8.4302 8.4302 9.2743 9.2743 9.2747 9.2747 9.4259 9.4259 9.4898 9.4898 9.4912 9.4912 9.6197 9.6197 9.6197 9.6197 15.6525 15.6525 15.7380 15.7380 15.7680 15.7680 16.1088 16.1088 16.1108 16.1108 16.1415 16.1415 k = 0.0213 0.0123 0.0087 ( 1807 PWs) bands (ev): 1.5592 1.5592 7.4250 7.4250 7.4287 7.4287 7.4749 7.4749 7.4830 7.4830 7.5899 7.5899 8.2811 8.2811 8.2818 8.2818 8.4299 8.4299 9.2709 9.2709 9.2722 9.2722 9.4191 9.4191 9.4913 9.4913 9.4963 9.4963 9.6193 9.6193 9.6194 9.6194 15.5201 15.5201 15.6772 15.6772 15.7209 15.7209 16.1510 16.1510 16.1617 16.1617 16.2231 16.2231 k = 0.0319 0.0184 0.0130 ( 1801 PWs) bands (ev): 1.5669 1.5669 7.4187 7.4187 7.4251 7.4251 7.4763 7.4763 7.4926 7.4926 7.5925 7.5925 8.2805 8.2805 8.2821 8.2821 8.4295 8.4295 9.2654 9.2654 9.2682 9.2682 9.4095 9.4095 9.4937 9.4937 9.5033 9.5033 9.6188 9.6188 9.6190 9.6190 15.3421 15.3421 15.6199 15.6199 15.6609 15.6609 16.2086 16.2086 16.2278 16.2278 16.2873 16.2873 k = 0.0426 0.0246 0.0174 ( 1795 PWs) bands (ev): 1.5778 1.5778 7.4122 7.4122 7.4208 7.4208 7.4769 7.4769 7.5037 7.5037 7.5965 7.5965 8.2796 8.2796 8.2824 8.2824 8.4290 8.4290 9.2576 9.2576 9.2629 9.2629 9.3979 9.3979 9.4969 9.4969 9.5112 9.5112 9.6180 9.6180 9.6184 9.6184 15.1479 15.1479 15.5595 15.5595 15.5960 15.5960 16.2733 16.2733 16.3008 16.3008 16.3265 16.3265 k = 0.0532 0.0307 0.0217 ( 1789 PWs) bands (ev): 1.5917 1.5917 7.4058 7.4058 7.4162 7.4162 7.4766 7.4766 7.5158 7.5158 7.6022 7.6022 8.2785 8.2785 8.2829 8.2829 8.4283 8.4283 9.2476 9.2476 9.2560 9.2560 9.3846 9.3846 9.5007 9.5007 9.5195 9.5195 9.6171 9.6171 9.6176 9.6176 14.9461 14.9461 15.4974 15.4974 15.5296 15.5296 16.3292 16.3292 16.3568 16.3568 16.3769 16.3769 k = 0.0638 0.0369 0.0261 ( 1786 PWs) bands (ev): 1.6087 1.6087 7.3998 7.3998 7.4117 7.4117 7.4745 7.4745 7.5287 7.5287 7.6094 7.6094 8.2771 8.2771 8.2831 8.2831 8.4273 8.4273 9.2357 9.2357 9.2480 9.2480 9.3701 9.3701 9.5050 9.5050 9.5278 9.5278 9.6161 9.6161 9.6167 9.6167 14.7405 14.7405 15.4350 15.4350 15.4633 15.4633 16.3372 16.3372 16.4206 16.4206 16.4538 16.4538 k = 0.0745 0.0430 0.0304 ( 1780 PWs) bands (ev): 1.6287 1.6287 7.3944 7.3944 7.4073 7.4073 7.4708 7.4708 7.5424 7.5424 7.6183 7.6183 8.2756 8.2756 8.2833 8.2833 8.4260 8.4260 9.2218 9.2218 9.2390 9.2390 9.3545 9.3545 9.5095 9.5095 9.5360 9.5360 9.6150 9.6150 9.6156 9.6156 14.5331 14.5331 15.3731 15.3731 15.3980 15.3980 16.3278 16.3278 16.4905 16.4905 16.5299 16.5299 k = 0.0851 0.0491 0.0347 ( 1777 PWs) bands (ev): 1.6519 1.6519 7.3896 7.3896 7.4030 7.4030 7.4655 7.4655 7.5567 7.5567 7.6287 7.6287 8.2738 8.2738 8.2830 8.2830 8.4243 8.4243 9.2061 9.2061 9.2292 9.2292 9.3380 9.3380 9.5140 9.5140 9.5440 9.5440 9.6140 9.6140 9.6143 9.6143 14.3257 14.3257 15.3123 15.3123 15.3341 15.3341 16.3105 16.3105 16.5585 16.5585 16.6034 16.6034 k = 0.0957 0.0553 0.0391 ( 1771 PWs) bands (ev): 1.6781 1.6781 7.3854 7.3854 7.3988 7.3988 7.4588 7.4588 7.5714 7.5714 7.6404 7.6404 8.2718 8.2718 8.2826 8.2826 8.4223 8.4223 9.1887 9.1887 9.2185 9.2185 9.3207 9.3207 9.5184 9.5184 9.5519 9.5519 9.6130 9.6130 9.6131 9.6131 14.1191 14.1191 15.2531 15.2531 15.2719 15.2719 16.2880 16.2880 16.6223 16.6223 16.6727 16.6727 k = 0.1064 0.0614 0.0434 ( 1771 PWs) bands (ev): 1.7073 1.7073 7.3818 7.3818 7.3944 7.3944 7.4510 7.4510 7.5866 7.5866 7.6532 7.6532 8.2696 8.2696 8.2818 8.2818 8.4197 8.4197 9.1697 9.1697 9.2070 9.2070 9.3026 9.3026 9.5224 9.5224 9.5593 9.5593 9.6115 9.6115 9.6124 9.6124 13.9141 13.9141 15.1955 15.1955 15.2118 15.2118 16.2620 16.2620 16.6794 16.6794 16.7354 16.7354 k = 0.1170 0.0676 0.0478 ( 1771 PWs) bands (ev): 1.7396 1.7396 7.3789 7.3789 7.3895 7.3895 7.4428 7.4428 7.6022 7.6022 7.6669 7.6669 8.2672 8.2672 8.2805 8.2805 8.4166 8.4166 9.1492 9.1492 9.1949 9.1949 9.2839 9.2839 9.5259 9.5259 9.5665 9.5665 9.6099 9.6099 9.6121 9.6121 13.7115 13.7115 15.1399 15.1399 15.1537 15.1537 16.2337 16.2337 16.7273 16.7273 16.7892 16.7892 k = 0.1277 0.0737 0.0521 ( 1768 PWs) bands (ev): 1.7749 1.7749 7.3766 7.3766 7.3834 7.3834 7.4348 7.4348 7.6182 7.6182 7.6815 7.6815 8.2647 8.2647 8.2787 8.2787 8.4129 8.4129 9.1275 9.1275 9.1823 9.1823 9.2647 9.2647 9.5288 9.5288 9.5732 9.5732 9.6083 9.6083 9.6122 9.6122 13.5118 13.5118 15.0863 15.0863 15.0978 15.0978 16.2039 16.2039 16.7634 16.7634 16.8313 16.8313 k = 0.1383 0.0798 0.0565 ( 1774 PWs) bands (ev): 1.8133 1.8133 7.3749 7.3749 7.3752 7.3752 7.4279 7.4279 7.6344 7.6344 7.6967 7.6967 8.2618 8.2618 8.2758 8.2758 8.4082 8.4082 9.1047 9.1047 9.1691 9.1691 9.2451 9.2451 9.5308 9.5308 9.5795 9.5795 9.6065 9.6065 9.6128 9.6128 13.3153 13.3153 15.0349 15.0349 15.0442 15.0442 16.1731 16.1731 16.7854 16.7854 16.8591 16.8591 k = 0.1489 0.0860 0.0608 ( 1775 PWs) bands (ev): 1.8546 1.8546 7.3641 7.3641 7.3740 7.3740 7.4229 7.4229 7.6511 7.6511 7.7125 7.7125 8.2590 8.2590 8.2721 8.2721 8.4028 8.4028 9.0812 9.0812 9.1554 9.1554 9.2253 9.2253 9.5319 9.5319 9.5854 9.5854 9.6049 9.6049 9.6141 9.6141 13.1225 13.1225 14.9857 14.9857 14.9930 14.9930 16.1417 16.1417 16.7916 16.7916 16.8706 16.8706 k = 0.1596 0.0921 0.0651 ( 1769 PWs) bands (ev): 1.8990 1.8990 7.3497 7.3497 7.3736 7.3736 7.4200 7.4200 7.6679 7.6679 7.7288 7.7288 8.2561 8.2561 8.2674 8.2674 8.3966 8.3966 9.0572 9.0572 9.1415 9.1415 9.2054 9.2054 9.5322 9.5322 9.5907 9.5907 9.6035 9.6035 9.6162 9.6162 12.9337 12.9337 14.9387 14.9387 14.9442 14.9442 16.1102 16.1102 16.7816 16.7816 16.8649 16.8649 k = 0.1702 0.0983 0.0695 ( 1769 PWs) bands (ev): 1.9463 1.9463 7.3322 7.3322 7.3739 7.3739 7.4190 7.4190 7.6850 7.6850 7.7454 7.7454 8.2530 8.2530 8.2611 8.2611 8.3896 8.3896 9.0331 9.0331 9.1271 9.1271 9.1853 9.1853 9.5315 9.5315 9.5948 9.5948 9.6028 9.6028 9.6187 9.6187 12.7493 12.7493 14.8941 14.8941 14.8979 14.8979 16.0787 16.0787 16.7562 16.7562 16.8426 16.8426 k = 0.1809 0.1044 0.0738 ( 1769 PWs) bands (ev): 1.9965 1.9965 7.3117 7.3117 7.3748 7.3748 7.4196 7.4196 7.7022 7.7022 7.7622 7.7622 8.2499 8.2499 8.2530 8.2530 8.3821 8.3821 9.0092 9.0092 9.1123 9.1123 9.1651 9.1651 9.5302 9.5302 9.5961 9.5961 9.6044 9.6044 9.6218 9.6218 12.5695 12.5695 14.8518 14.8518 14.8540 14.8540 16.0474 16.0474 16.7173 16.7173 16.8054 16.8054 k = 0.1915 0.1106 0.0782 ( 1766 PWs) bands (ev): 2.0497 2.0497 7.2882 7.2882 7.3764 7.3764 7.4214 7.4214 7.7196 7.7196 7.7793 7.7793 8.2429 8.2429 8.2467 8.2467 8.3742 8.3742 8.9859 8.9859 9.0973 9.0973 9.1450 9.1450 9.5283 9.5283 9.5954 9.5954 9.6077 9.6077 9.6250 9.6250 12.3946 12.3946 14.8120 14.8120 14.8127 14.8127 16.0165 16.0165 16.6671 16.6671 16.7558 16.7558 k = 0.2021 0.1167 0.0825 ( 1766 PWs) bands (ev): 2.1058 2.1058 7.2615 7.2615 7.3785 7.3785 7.4242 7.4242 7.7370 7.7370 7.7964 7.7964 8.2304 8.2304 8.2435 8.2435 8.3665 8.3665 8.9634 8.9634 9.0820 9.0820 9.1250 9.1250 9.5257 9.5257 9.5937 9.5937 9.6115 9.6115 9.6288 9.6288 12.2249 12.2249 14.7740 14.7740 14.7745 14.7745 15.9861 15.9861 16.6080 16.6080 16.6963 16.6963 k = 0.2128 0.1228 0.0869 ( 1766 PWs) bands (ev): 2.1648 2.1648 7.2313 7.2313 7.3812 7.3812 7.4279 7.4279 7.7544 7.7544 7.8134 7.8134 8.2154 8.2154 8.2402 8.2402 8.3591 8.3591 8.9422 8.9422 9.0664 9.0664 9.1051 9.1051 9.5226 9.5226 9.5918 9.5918 9.6151 9.6151 9.6327 9.6327 12.0606 12.0606 14.7378 14.7378 14.7395 14.7395 15.9564 15.9564 16.5422 16.5422 16.6293 16.6293 k = 0.2234 0.1290 0.0912 ( 1766 PWs) bands (ev): 2.2266 2.2266 7.1974 7.1974 7.3844 7.3844 7.4324 7.4324 7.7718 7.7718 7.8303 7.8303 8.1979 8.1979 8.2369 8.2369 8.3525 8.3525 8.9220 8.9220 9.0506 9.0506 9.0856 9.0856 9.5192 9.5192 9.5898 9.5898 9.6184 9.6184 9.6367 9.6367 11.9018 11.9018 14.7043 14.7043 14.7069 14.7069 15.9273 15.9273 16.4713 16.4713 16.5566 16.5566 k = 0.2340 0.1351 0.0955 ( 1766 PWs) bands (ev): 2.2913 2.2913 7.1593 7.1593 7.3881 7.3881 7.4376 7.4376 7.7890 7.7890 7.8470 7.8470 8.1782 8.1782 8.2337 8.2337 8.3469 8.3469 8.9030 8.9030 9.0347 9.0347 9.0665 9.0665 9.5157 9.5157 9.5878 9.5878 9.6213 9.6213 9.6407 9.6407 11.7489 11.7489 14.6734 14.6734 14.6768 14.6768 15.8990 15.8990 16.3969 16.3969 16.4800 16.4800 k = 0.2447 0.1413 0.0999 ( 1760 PWs) bands (ev): 2.3588 2.3588 7.1164 7.1164 7.3923 7.3923 7.4436 7.4436 7.8061 7.8061 7.8633 7.8633 8.1570 8.1570 8.2306 8.2306 8.3422 8.3422 8.8853 8.8853 9.0187 9.0187 9.0480 9.0480 9.5119 9.5119 9.5858 9.5858 9.6240 9.6240 9.6447 9.6447 11.6020 11.6020 14.6451 14.6451 14.6492 14.6492 15.8715 15.8715 16.3201 16.3201 16.4007 16.4007 k = 0.2553 0.1474 0.1042 ( 1760 PWs) bands (ev): 2.4291 2.4291 7.0685 7.0685 7.3969 7.3969 7.4500 7.4500 7.8229 7.8229 7.8792 7.8792 8.1348 8.1348 8.2275 8.2275 8.3386 8.3386 8.8683 8.8683 9.0025 9.0025 9.0300 9.0300 9.5081 9.5081 9.5838 9.5838 9.6262 9.6262 9.6487 9.6487 11.4612 11.4612 14.6195 14.6195 14.6241 14.6241 15.8448 15.8448 16.2419 16.2419 16.3197 16.3197 k = 0.2660 0.1536 0.1086 ( 1763 PWs) bands (ev): 2.5021 2.5021 7.0151 7.0151 7.4016 7.4016 7.4568 7.4568 7.8394 7.8394 7.8945 7.8945 8.1128 8.1128 8.2246 8.2246 8.3359 8.3359 8.8520 8.8520 8.9863 8.9863 9.0129 9.0129 9.5042 9.5042 9.5818 9.5818 9.6281 9.6281 9.6525 9.6525 11.3266 11.3266 14.5966 14.5966 14.6015 14.6015 15.8191 15.8191 16.1630 16.1630 16.2378 16.2378 k = 0.2766 0.1597 0.1129 ( 1763 PWs) bands (ev): 2.5778 2.5778 6.9558 6.9558 7.4070 7.4070 7.4643 7.4643 7.8557 7.8557 7.9091 7.9091 8.0912 8.0912 8.2218 8.2218 8.3341 8.3341 8.8360 8.8360 8.9701 8.9701 8.9966 8.9966 9.5003 9.5003 9.5798 9.5798 9.6297 9.6297 9.6562 9.6562 11.1984 11.1984 14.5764 14.5764 14.5814 14.5814 15.7942 15.7942 16.0840 16.0840 16.1556 16.1556 k = 0.2872 0.1658 0.1173 ( 1763 PWs) bands (ev): 2.6561 2.6561 6.8906 6.8906 7.4127 7.4127 7.4723 7.4723 7.8716 7.8716 7.9229 7.9229 8.0710 8.0710 8.2191 8.2191 8.3331 8.3331 8.8200 8.8200 8.9539 8.9539 8.9813 8.9813 9.4964 9.4964 9.5777 9.5777 9.6310 9.6310 9.6597 9.6597 11.0766 11.0766 14.5589 14.5589 14.5638 14.5638 15.7703 15.7703 16.0054 16.0054 16.0736 16.0736 k = 0.2979 0.1720 0.1216 ( 1757 PWs) bands (ev): 2.7371 2.7371 6.8191 6.8191 7.4185 7.4185 7.4806 7.4806 7.8870 7.8870 7.9356 7.9356 8.0531 8.0531 8.2169 8.2169 8.3331 8.3331 8.8041 8.8041 8.9380 8.9380 8.9673 8.9673 9.4926 9.4926 9.5757 9.5757 9.6320 9.6320 9.6630 9.6630 10.9613 10.9613 14.5441 14.5441 14.5487 14.5487 15.7473 15.7473 15.9277 15.9277 15.9923 15.9923 k = 0.3085 0.1781 0.1259 ( 1757 PWs) bands (ev): 2.8206 2.8206 6.7417 6.7417 7.4247 7.4247 7.4892 7.4892 7.9020 7.9020 7.9468 7.9468 8.0379 8.0379 8.2145 8.2145 8.3337 8.3337 8.7879 8.7879 8.9221 8.9221 8.9543 8.9543 9.4888 9.4888 9.5736 9.5736 9.6328 9.6328 9.6662 9.6662 10.8525 10.8525 14.5320 14.5320 14.5361 14.5361 15.7250 15.7250 15.8513 15.8513 15.9120 15.9120 k = 0.3191 0.1843 0.1303 ( 1754 PWs) bands (ev): 2.9066 2.9066 6.6584 6.6584 7.4309 7.4309 7.4981 7.4981 7.9164 7.9164 7.9561 7.9561 8.0262 8.0262 8.2124 8.2124 8.3350 8.3350 8.7714 8.7714 8.9065 8.9065 8.9424 8.9424 9.4852 9.4852 9.5715 9.5715 9.6333 9.6333 9.6693 9.6693 10.7502 10.7502 14.5227 14.5227 14.5261 14.5261 15.7028 15.7028 15.7772 15.7772 15.8329 15.8329 k = 0.3298 0.1904 0.1346 ( 1742 PWs) bands (ev): 2.9951 2.9951 6.5697 6.5697 7.4373 7.4373 7.5071 7.5071 7.9303 7.9303 7.9627 7.9627 8.0191 8.0191 8.2105 8.2105 8.3369 8.3369 8.7546 8.7546 8.8913 8.8913 8.9314 8.9314 9.4817 9.4817 9.5694 9.5694 9.6339 9.6339 9.6724 9.6724 10.6544 10.6544 14.5161 14.5161 14.5186 14.5186 15.6758 15.6758 15.7105 15.7105 15.7552 15.7552 k = 0.3404 0.1965 0.1390 ( 1742 PWs) bands (ev): 3.0860 3.0860 6.4759 6.4759 7.4437 7.4437 7.5163 7.5163 7.9434 7.9434 7.9658 7.9658 8.0168 8.0168 8.2088 8.2088 8.3395 8.3395 8.7374 8.7374 8.8764 8.8764 8.9212 8.9212 9.4784 9.4784 9.5673 9.5673 9.6339 9.6339 9.6750 9.6750 10.5651 10.5651 14.5122 14.5122 14.5135 14.5135 15.6213 15.6213 15.6742 15.6742 15.6792 15.6792 k = 0.3511 0.2027 0.1433 ( 1748 PWs) bands (ev): 3.1791 3.1791 6.3775 6.3775 7.4501 7.4501 7.5255 7.5255 7.9559 7.9559 7.9658 7.9658 8.0184 8.0184 8.2073 8.2073 8.3425 8.3425 8.7201 8.7201 8.8618 8.8618 8.9116 8.9116 9.4752 9.4752 9.5651 9.5651 9.6338 9.6338 9.6774 9.6774 10.4823 10.4823 14.5110 14.5110 14.5111 14.5111 15.5537 15.5537 15.6050 15.6050 15.6540 15.6540 k = 0.3617 0.2088 0.1477 ( 1751 PWs) bands (ev): 3.2745 3.2745 6.2750 6.2750 7.4564 7.4564 7.5346 7.5346 7.9648 7.9648 7.9676 7.9676 8.0230 8.0230 8.2060 8.2060 8.3459 8.3459 8.7027 8.7027 8.8478 8.8478 8.9026 8.9026 9.4721 9.4721 9.5629 9.5629 9.6334 9.6334 9.6797 9.6797 10.4059 10.4059 14.5110 14.5110 14.5127 14.5127 15.4862 15.4862 15.5328 15.5328 15.6369 15.6369 k = 0.3723 0.2150 0.1520 ( 1745 PWs) bands (ev): 3.3720 3.3720 6.1691 6.1691 7.4626 7.4626 7.5436 7.5436 7.9639 7.9639 7.9787 7.9787 8.0286 8.0286 8.2050 8.2050 8.3498 8.3498 8.6856 8.6856 8.8345 8.8345 8.8939 8.8939 9.4694 9.4694 9.5608 9.5608 9.6330 9.6330 9.6817 9.6817 10.3360 10.3360 14.5134 14.5134 14.5170 14.5170 15.4204 15.4204 15.4627 15.4627 15.6215 15.6215 k = 0.3830 0.2211 0.1564 ( 1757 PWs) bands (ev): 3.4715 3.4715 6.0601 6.0601 7.4684 7.4684 7.5521 7.5521 7.9638 7.9638 7.9888 7.9888 8.0344 8.0344 8.2040 8.2040 8.3537 8.3537 8.6687 8.6687 8.8218 8.8218 8.8856 8.8856 9.4667 9.4667 9.5585 9.5585 9.6325 9.6325 9.6836 9.6836 10.2721 10.2721 14.5182 14.5182 14.5241 14.5241 15.3568 15.3568 15.3948 15.3948 15.6073 15.6073 k = 0.3936 0.2273 0.1607 ( 1754 PWs) bands (ev): 3.5728 3.5728 5.9488 5.9488 7.4741 7.4741 7.5605 7.5605 7.9645 7.9645 7.9982 7.9982 8.0402 8.0402 8.2033 8.2033 8.3578 8.3578 8.6525 8.6525 8.8099 8.8099 8.8776 8.8776 9.4642 9.4642 9.5563 9.5563 9.6318 9.6318 9.6853 9.6853 10.2147 10.2147 14.5255 14.5255 14.5338 14.5338 15.2956 15.2956 15.3292 15.3292 15.5945 15.5945 k = 0.4043 0.2334 0.1650 ( 1754 PWs) bands (ev): 3.6757 3.6757 5.8356 5.8356 7.4795 7.4795 7.5685 7.5685 7.9662 7.9662 8.0068 8.0068 8.0456 8.0456 8.2027 8.2027 8.3618 8.3618 8.6370 8.6370 8.7989 8.7989 8.8697 8.8697 9.4620 9.4620 9.5541 9.5541 9.6311 9.6311 9.6868 9.6868 10.1634 10.1634 14.5350 14.5350 14.5463 14.5463 15.2370 15.2370 15.2660 15.2660 15.5828 15.5828 k = 0.4149 0.2395 0.1694 ( 1754 PWs) bands (ev): 3.7801 3.7801 5.7211 5.7211 7.4845 7.4845 7.5759 7.5759 7.9685 7.9685 8.0146 8.0146 8.0506 8.0506 8.2022 8.2022 8.3657 8.3657 8.6223 8.6223 8.7887 8.7887 8.8622 8.8622 9.4600 9.4600 9.5520 9.5520 9.6303 9.6303 9.6881 9.6881 10.1182 10.1182 14.5467 14.5467 14.5613 14.5613 15.1812 15.1812 15.2054 15.2054 15.5724 15.5724 k = 0.4255 0.2457 0.1737 ( 1748 PWs) bands (ev): 3.8856 3.8856 5.6061 5.6061 7.4891 7.4891 7.5829 7.5829 7.9713 7.9713 8.0215 8.0215 8.0551 8.0551 8.2019 8.2019 8.3694 8.3694 8.6089 8.6089 8.7797 8.7797 8.8552 8.8552 9.4582 9.4582 9.5499 9.5499 9.6297 9.6297 9.6894 9.6894 10.0788 10.0788 14.5604 14.5604 14.5790 14.5790 15.1284 15.1284 15.1474 15.1474 15.5633 15.5633 k = 0.4362 0.2518 0.1781 ( 1748 PWs) bands (ev): 3.9916 3.9916 5.4912 5.4912 7.4932 7.4932 7.5890 7.5890 7.9743 7.9743 8.0275 8.0275 8.0592 8.0592 8.2016 8.2016 8.3727 8.3727 8.5967 8.5967 8.7716 8.7716 8.8486 8.8486 9.4566 9.4566 9.5480 9.5480 9.6290 9.6290 9.6904 9.6904 10.0452 10.0452 14.5759 14.5759 14.5990 14.5990 15.0789 15.0789 15.0923 15.0923 15.5553 15.5553 k = 0.4468 0.2580 0.1824 ( 1748 PWs) bands (ev): 4.0975 4.0975 5.3774 5.3774 7.4967 7.4967 7.5944 7.5944 7.9774 7.9774 8.0326 8.0326 8.0628 8.0628 8.2014 8.2014 8.3756 8.3756 8.5861 8.5861 8.7647 8.7647 8.8426 8.8426 9.4553 9.4553 9.5462 9.5462 9.6283 9.6283 9.6913 9.6913 10.0172 10.0172 14.5928 14.5928 14.6214 14.6214 15.0332 15.0332 15.0402 15.0402 15.5485 15.5485 k = 0.4574 0.2641 0.1868 ( 1745 PWs) bands (ev): 4.2019 4.2019 5.2663 5.2663 7.4997 7.4997 7.5989 7.5989 7.9805 7.9805 8.0368 8.0368 8.0659 8.0659 8.2012 8.2012 8.3779 8.3779 8.5771 8.5771 8.7589 8.7589 8.8375 8.8375 9.4542 9.4542 9.5447 9.5447 9.6276 9.6276 9.6920 9.6920 9.9945 9.9945 14.6105 14.6105 14.6456 14.6456 14.9916 14.9916 14.9919 14.9919 15.5430 15.5430 k = 0.4681 0.2702 0.1911 ( 1751 PWs) bands (ev): 4.3023 4.3023 5.1605 5.1605 7.5020 7.5020 7.6025 7.6025 7.9829 7.9829 8.0400 8.0400 8.0683 8.0683 8.2009 8.2009 8.3797 8.3797 8.5699 8.5699 8.7544 8.7544 8.8333 8.8333 9.4533 9.4533 9.5433 9.5433 9.6271 9.6271 9.6925 9.6925 9.9770 9.9770 14.6279 14.6279 14.6710 14.6710 14.9472 14.9472 14.9561 14.9561 15.5387 15.5387 k = 0.4787 0.2764 0.1954 ( 1751 PWs) bands (ev): 4.3934 4.3934 5.0654 5.0654 7.5037 7.5037 7.6051 7.6051 7.9848 7.9848 8.0423 8.0423 8.0701 8.0701 8.2009 8.2009 8.3810 8.3810 8.5647 8.5647 8.7511 8.7511 8.8302 8.8302 9.4527 9.4527 9.5424 9.5424 9.6267 9.6267 9.6929 9.6929 9.9647 9.9647 14.6434 14.6434 14.6961 14.6961 14.9086 14.9086 14.9274 14.9274 15.5356 15.5356 k = 0.4894 0.2825 0.1998 ( 1760 PWs) bands (ev): 4.4637 4.4637 4.9926 4.9926 7.5047 7.5047 7.6066 7.6066 7.9859 7.9859 8.0436 8.0436 8.0711 8.0711 8.2007 8.2007 8.3817 8.3817 8.5615 8.5615 8.7491 8.7491 8.8282 8.8282 9.4521 9.4521 9.5416 9.5416 9.6264 9.6264 9.6931 9.6931 9.9573 9.9573 14.6545 14.6545 14.7169 14.7169 14.8796 14.8796 14.9084 14.9084 15.5338 15.5338 k = 0.5000 0.2887 0.2041 ( 1772 PWs) bands (ev): 4.4920 4.4920 4.9635 4.9635 7.5050 7.5050 7.6071 7.6071 7.9862 7.9862 8.0438 8.0438 8.0713 8.0713 8.2006 8.2006 8.3819 8.3819 8.5603 8.5603 8.7483 8.7483 8.8275 8.8275 9.4518 9.4518 9.5412 9.5412 9.6263 9.6263 9.6932 9.6932 9.9548 9.9548 14.6586 14.6586 14.7257 14.7257 14.8680 14.8680 14.9016 14.9016 15.5331 15.5331 k = 0.5000 0.2887 0.2041 ( 1772 PWs) bands (ev): 4.4920 4.4920 4.9635 4.9635 7.5050 7.5050 7.6071 7.6071 7.9862 7.9862 8.0438 8.0438 8.0713 8.0713 8.2006 8.2006 8.3819 8.3819 8.5603 8.5603 8.7483 8.7483 8.8275 8.8275 9.4518 9.4518 9.5412 9.5412 9.6263 9.6263 9.6932 9.6932 9.9548 9.9548 14.6586 14.6586 14.7257 14.7257 14.8680 14.8680 14.9016 14.9016 15.5331 15.5331 k = 0.5037 0.2781 0.2101 ( 1753 PWs) bands (ev): 4.4931 4.4931 4.9649 4.9649 7.5047 7.5047 7.6068 7.6068 7.9852 7.9852 8.0443 8.0443 8.0708 8.0708 8.2022 8.2022 8.3828 8.3828 8.5604 8.5604 8.7483 8.7483 8.8279 8.8279 9.4522 9.4522 9.5416 9.5416 9.6262 9.6262 9.6930 9.6930 9.9548 9.9548 14.5843 14.5843 14.6447 14.6447 14.9227 14.9227 14.9703 14.9703 15.5617 15.5617 k = 0.5074 0.2674 0.2161 ( 1751 PWs) bands (ev): 4.4961 4.4961 4.9688 4.9688 7.5036 7.5036 7.6058 7.6058 7.9818 7.9818 8.0445 8.0445 8.0688 8.0688 8.2061 8.2061 8.3851 8.3851 8.5604 8.5604 8.7480 8.7480 8.8287 8.8287 9.4525 9.4525 9.5418 9.5418 9.6256 9.6256 9.6924 9.6924 9.9542 9.9542 14.4403 14.4403 14.5107 14.5107 14.9873 14.9873 15.0915 15.0915 15.6435 15.6435 k = 0.5110 0.2568 0.2221 ( 1747 PWs) bands (ev): 4.5012 4.5012 4.9752 4.9752 7.5014 7.5014 7.6044 7.6044 7.9760 7.9760 8.0449 8.0449 8.0663 8.0663 8.2120 8.2120 8.3887 8.3887 8.5603 8.5603 8.7476 8.7476 8.8300 8.8300 9.4530 9.4530 9.5421 9.5421 9.6246 9.6246 9.6916 9.6916 9.9533 9.9533 14.2697 14.2697 14.3756 14.3756 15.0183 15.0183 15.2273 15.2273 15.7656 15.7656 k = 0.5147 0.2462 0.2281 ( 1745 PWs) bands (ev): 4.5084 4.5084 4.9843 4.9843 7.4977 7.4977 7.6031 7.6031 7.9675 7.9675 8.0451 8.0451 8.0644 8.0644 8.2195 8.2195 8.3935 8.3935 8.5602 8.5602 8.7470 8.7470 8.8318 8.8318 9.4537 9.4537 9.5425 9.5425 9.6233 9.6233 9.6904 9.6904 9.9521 9.9521 14.0864 14.0864 14.2432 14.2432 15.0242 15.0242 15.3689 15.3689 15.9111 15.9111 k = 0.5184 0.2356 0.2341 ( 1747 PWs) bands (ev): 4.5175 4.5175 4.9959 4.9959 7.4919 7.4919 7.6025 7.6025 7.9564 7.9564 8.0445 8.0445 8.0642 8.0642 8.2280 8.2280 8.3993 8.3993 8.5599 8.5599 8.7463 8.7463 8.8342 8.8342 9.4544 9.4544 9.5430 9.5430 9.6215 9.6215 9.6891 9.6891 9.9504 9.9504 13.8971 13.8971 14.1128 14.1128 15.0142 15.0142 15.5141 15.5141 16.0677 16.0677 k = 0.5221 0.2250 0.2401 ( 1745 PWs) bands (ev): 4.5287 4.5287 5.0101 5.0101 7.4836 7.4836 7.6031 7.6031 7.9429 7.9429 8.0431 8.0431 8.0663 8.0663 8.2373 8.2373 8.4060 8.4060 8.5595 8.5595 8.7455 8.7455 8.8370 8.8370 9.4551 9.4551 9.5435 9.5435 9.6192 9.6192 9.6876 9.6876 9.9484 9.9484 13.7054 13.7054 13.9844 13.9844 14.9946 14.9946 15.6618 15.6618 16.2282 16.2282 k = 0.5257 0.2144 0.2461 ( 1749 PWs) bands (ev): 4.5418 4.5418 5.0268 5.0268 7.4722 7.4722 7.6053 7.6053 7.9273 7.9273 8.0409 8.0409 8.0706 8.0706 8.2469 8.2469 8.4132 8.4132 8.5590 8.5590 8.7447 8.7447 8.8404 8.8404 9.4558 9.4558 9.5441 9.5441 9.6165 9.6165 9.6860 9.6860 9.9461 9.9461 13.5130 13.5130 13.8578 13.8578 14.9686 14.9686 15.8118 15.8118 16.3889 16.3889 k = 0.5294 0.2038 0.2522 ( 1747 PWs) bands (ev): 4.5570 4.5570 5.0460 5.0460 7.4577 7.4577 7.6095 7.6095 7.9099 7.9099 8.0384 8.0384 8.0767 8.0767 8.2569 8.2569 8.4208 8.4208 8.5583 8.5583 8.7439 8.7439 8.8442 8.8442 9.4565 9.4565 9.5449 9.5449 9.6134 9.6134 9.6847 9.6847 9.9436 9.9436 13.3212 13.3212 13.7330 13.7330 14.9386 14.9386 15.9639 15.9639 16.5482 16.5482 k = 0.5331 0.1932 0.2582 ( 1747 PWs) bands (ev): 4.5741 4.5741 5.0678 5.0678 7.4401 7.4401 7.6154 7.6154 7.8909 7.8909 8.0358 8.0358 8.0843 8.0843 8.2669 8.2669 8.4285 8.4285 8.5574 8.5574 8.7432 8.7432 8.8485 8.8485 9.4569 9.4569 9.5457 9.5457 9.6098 9.6098 9.6836 9.6836 9.9407 9.9407 13.1309 13.1309 13.6101 13.6101 14.9060 14.9060 16.1179 16.1179 16.7055 16.7055 k = 0.5368 0.1825 0.2642 ( 1746 PWs) bands (ev): 4.5931 4.5931 5.0920 5.0920 7.4196 7.4196 7.6230 7.6230 7.8706 7.8706 8.0332 8.0332 8.0933 8.0933 8.2770 8.2770 8.4362 8.4362 8.5564 8.5564 8.7427 8.7427 8.8531 8.8531 9.4570 9.4570 9.5465 9.5465 9.6058 9.6058 9.6829 9.6829 9.9376 9.9376 12.9428 12.9428 13.4891 13.4891 14.8718 14.8718 16.2739 16.2739 16.8608 16.8608 k = 0.5404 0.1719 0.2702 ( 1750 PWs) bands (ev): 4.6139 4.6139 5.1186 5.1186 7.3963 7.3963 7.6320 7.6320 7.8491 7.8491 8.0307 8.0307 8.1033 8.1033 8.2869 8.2869 8.4437 8.4437 8.5552 8.5552 8.7424 8.7424 8.8581 8.8581 9.4567 9.4567 9.5473 9.5473 9.6015 9.6015 9.6825 9.6825 9.9343 9.9343 12.7575 12.7575 13.3699 13.3699 14.8368 14.8368 16.4318 16.4318 17.0146 17.0146 k = 0.5441 0.1613 0.2762 ( 1752 PWs) bands (ev): 4.6367 4.6367 5.1477 5.1477 7.3704 7.3704 7.6422 7.6422 7.8268 7.8268 8.0282 8.0282 8.1148 8.1148 8.2967 8.2967 8.4509 8.4509 8.5539 8.5539 8.7425 8.7425 8.8633 8.8633 9.4560 9.4560 9.5480 9.5480 9.5972 9.5972 9.6827 9.6827 9.9307 9.9307 12.5754 12.5754 13.2526 13.2526 14.8015 14.8015 16.5915 16.5915 17.1676 17.1676 k = 0.5478 0.1507 0.2822 ( 1752 PWs) bands (ev): 4.6613 4.6613 5.1791 5.1791 7.3421 7.3421 7.6535 7.6535 7.8037 7.8037 8.0259 8.0259 8.1274 8.1274 8.3063 8.3063 8.4578 8.4578 8.5523 8.5523 8.7430 8.7430 8.8686 8.8686 9.4547 9.4547 9.5484 9.5484 9.5932 9.5932 9.6834 9.6834 9.9270 9.9270 12.3971 12.3971 13.1373 13.1373 14.7664 14.7664 16.7531 16.7531 17.3201 17.3201 k = 0.5515 0.1401 0.2882 ( 1754 PWs) bands (ev): 4.6876 4.6876 5.2129 5.2129 7.3115 7.3115 7.6652 7.6652 7.7803 7.7803 8.0237 8.0237 8.1410 8.1410 8.3155 8.3155 8.4644 8.4644 8.5507 8.5507 8.7439 8.7439 8.8741 8.8741 9.4528 9.4528 9.5479 9.5479 9.5900 9.5900 9.6847 9.6847 9.9232 9.9232 12.2228 12.2228 13.0239 13.0239 14.7318 14.7318 16.9165 16.9165 17.4729 17.4729 k = 0.5551 0.1295 0.2942 ( 1750 PWs) bands (ev): 4.7156 4.7156 5.2489 5.2489 7.2786 7.2786 7.6764 7.6764 7.7578 7.7578 8.0218 8.0218 8.1556 8.1556 8.3244 8.3244 8.4707 8.4707 8.5490 8.5490 8.7454 8.7454 8.8796 8.8796 9.4502 9.4502 9.5462 9.5462 9.5882 9.5882 9.6865 9.6865 9.9192 9.9192 12.0532 12.0532 12.9126 12.9126 14.6979 14.6979 17.0818 17.0818 17.6262 17.6262 k = 0.5588 0.1189 0.3002 ( 1748 PWs) bands (ev): 4.7453 4.7453 5.2872 5.2872 7.2433 7.2433 7.6833 7.6833 7.7398 7.7398 8.0199 8.0199 8.1709 8.1709 8.3329 8.3329 8.4768 8.4768 8.5473 8.5473 8.7472 8.7472 8.8849 8.8849 9.4469 9.4469 9.5429 9.5429 9.5883 9.5883 9.6889 9.6889 9.9152 9.9152 11.8884 11.8884 12.8032 12.8032 14.6648 14.6648 17.2488 17.2488 17.7802 17.7802 k = 0.5625 0.1083 0.3062 ( 1759 PWs) bands (ev): 4.7766 4.7766 5.3277 5.3277 7.2056 7.2056 7.6766 7.6766 7.7354 7.7354 8.0181 8.0181 8.1865 8.1865 8.3409 8.3409 8.4823 8.4823 8.5459 8.5459 8.7494 8.7494 8.8899 8.8899 9.4429 9.4429 9.5380 9.5380 9.5902 9.5902 9.6917 9.6917 9.9111 9.9111 11.7288 11.7288 12.6959 12.6959 14.6328 14.6328 17.4176 17.4176 17.9351 17.9351 k = 0.5662 0.0976 0.3122 ( 1753 PWs) bands (ev): 4.8095 4.8095 5.3702 5.3702 7.1657 7.1657 7.6564 7.6564 7.7451 7.7451 8.0167 8.0167 8.2025 8.2025 8.3488 8.3488 8.4870 8.4870 8.5454 8.5454 8.7521 8.7521 8.8948 8.8948 9.4383 9.4383 9.5322 9.5322 9.5937 9.5937 9.6951 9.6951 9.9070 9.9070 11.5750 11.5750 12.5908 12.5908 14.6020 14.6020 17.5881 17.5881 18.0904 18.0904 k = 0.5699 0.0870 0.3182 ( 1749 PWs) bands (ev): 4.8437 4.8437 5.4148 5.4148 7.1233 7.1233 7.6308 7.6308 7.7604 7.7604 8.0155 8.0155 8.2183 8.2183 8.3570 8.3570 8.4904 8.4904 8.5465 8.5465 8.7551 8.7551 8.8993 8.8993 9.4331 9.4331 9.5256 9.5256 9.5983 9.5983 9.6989 9.6989 9.9030 9.9030 11.4270 11.4270 12.4877 12.4877 14.5723 14.5723 17.7603 17.7603 18.2454 18.2454 k = 0.5735 0.0764 0.3242 ( 1750 PWs) bands (ev): 4.8794 4.8794 5.4613 5.4613 7.0782 7.0782 7.6033 7.6033 7.7781 7.7781 8.0145 8.0145 8.2331 8.2331 8.3658 8.3658 8.4916 8.4916 8.5499 8.5499 8.7582 8.7582 8.9033 8.9033 9.4274 9.4274 9.5187 9.5187 9.6039 9.6039 9.7031 9.7031 9.8991 9.8991 11.2854 11.2854 12.3869 12.3869 14.5439 14.5439 17.9342 17.9342 18.3976 18.3976 k = 0.5772 0.0658 0.3302 ( 1751 PWs) bands (ev): 4.9162 4.9162 5.5096 5.5096 7.0305 7.0305 7.5748 7.5748 7.7971 7.7971 8.0136 8.0136 8.2463 8.2463 8.3761 8.3761 8.4904 8.4904 8.5560 8.5560 8.7614 8.7614 8.9068 8.9068 9.4212 9.4212 9.5117 9.5117 9.6102 9.6102 9.7075 9.7075 9.8953 9.8953 11.1504 11.1504 12.2883 12.2883 14.5168 14.5168 18.1098 18.1098 18.5409 18.5409 k = 0.5809 0.0552 0.3362 ( 1749 PWs) bands (ev): 4.9542 4.9542 5.5596 5.5596 6.9800 6.9800 7.5460 7.5460 7.8172 7.8172 8.0131 8.0131 8.2573 8.2573 8.3884 8.3884 8.4873 8.4873 8.5645 8.5645 8.7645 8.7645 8.9097 8.9097 9.4148 9.4148 9.5047 9.5047 9.6170 9.6170 9.7122 9.7122 9.8919 9.8919 11.0224 11.0224 12.1921 12.1921 14.4909 14.4909 18.2869 18.2869 18.6553 18.6553 k = 0.5846 0.0446 0.3422 ( 1751 PWs) bands (ev): 4.9931 4.9931 5.6112 5.6112 6.9265 6.9265 7.5173 7.5173 7.8381 7.8381 8.0127 8.0127 8.2656 8.2656 8.4031 8.4031 8.4830 8.4830 8.5751 8.5751 8.7673 8.7673 8.9121 8.9121 9.4079 9.4079 9.4979 9.4979 9.6242 9.6242 9.7170 9.7170 9.8888 9.8888 10.9016 10.9016 12.0982 12.0982 14.4663 14.4663 18.4653 18.4653 18.6862 18.6862 k = 0.5882 0.0340 0.3482 ( 1751 PWs) bands (ev): 5.0328 5.0328 5.6642 5.6642 6.8702 6.8702 7.4889 7.4889 7.8596 7.8596 8.0126 8.0126 8.2711 8.2711 8.4193 8.4193 8.4787 8.4787 8.5872 8.5872 8.7698 8.7698 8.9138 8.9138 9.4009 9.4009 9.4915 9.4915 9.6316 9.6316 9.7219 9.7219 9.8862 9.8862 10.7883 10.7883 12.0069 12.0069 14.4430 14.4430 18.6042 18.6042 18.6496 18.6496 k = 0.5919 0.0233 0.3542 ( 1748 PWs) bands (ev): 5.0732 5.0732 5.7183 5.7183 6.8111 6.8111 7.4611 7.4611 7.8816 7.8816 8.0127 8.0127 8.2741 8.2741 8.4339 8.4339 8.4778 8.4778 8.6004 8.6004 8.7719 8.7719 8.9151 8.9151 9.3938 9.3938 9.4855 9.4855 9.6391 9.6391 9.7268 9.7268 9.8842 9.8842 10.6828 10.6828 11.9182 11.9182 14.4210 14.4210 18.4792 18.4792 18.8279 18.8279 k = 0.5956 0.0127 0.3602 ( 1748 PWs) bands (ev): 5.1139 5.1139 5.7733 5.7733 6.7494 6.7494 7.4342 7.4342 7.9039 7.9039 8.0131 8.0131 8.2749 8.2749 8.4397 8.4397 8.4872 8.4872 8.6145 8.6145 8.7735 8.7735 8.9158 8.9158 9.3865 9.3865 9.4801 9.4801 9.6465 9.6465 9.7316 9.7316 9.8829 9.8829 10.5853 10.5853 11.8323 11.8323 14.4002 14.4002 18.3360 18.3360 19.0102 19.0102 k = 0.5993 0.0021 0.3662 ( 1742 PWs) bands (ev): 5.1546 5.1546 5.8287 5.8287 6.6856 6.6856 7.4084 7.4084 7.9264 7.9264 8.0139 8.0139 8.2742 8.2742 8.4362 8.4362 8.5073 8.5073 8.6294 8.6294 8.7747 8.7747 8.9161 8.9161 9.3793 9.3793 9.4752 9.4752 9.6537 9.6537 9.7361 9.7361 9.8824 9.8824 10.4962 10.4962 11.7492 11.7492 14.3807 14.3807 18.1879 18.1879 19.1935 19.1935 k = 0.6029-0.0085 0.3722 ( 1750 PWs) bands (ev): 5.1950 5.1950 5.8839 5.8839 6.6203 6.6203 7.3839 7.3839 7.9487 7.9487 8.0150 8.0150 8.2721 8.2721 8.4284 8.4284 8.5320 8.5320 8.6448 8.6448 8.7752 8.7752 8.9159 8.9159 9.3720 9.3720 9.4710 9.4710 9.6604 9.6604 9.7403 9.7403 9.8828 9.8828 10.4154 10.4154 11.6692 11.6692 14.3624 14.3624 18.0388 18.0388 19.3772 19.3772 k = 0.6066-0.0191 0.3782 ( 1746 PWs) bands (ev): 5.2346 5.2346 5.9379 5.9379 6.5551 6.5551 7.3610 7.3610 7.9702 7.9702 8.0175 8.0175 8.2691 8.2691 8.4193 8.4193 8.5585 8.5585 8.6608 8.6608 8.7754 8.7754 8.9157 8.9157 9.3648 9.3648 9.4675 9.4675 9.6665 9.6665 9.7441 9.7441 9.8839 9.8839 10.3436 10.3436 11.5925 11.5925 14.3453 14.3453 17.8904 17.8904 19.5607 19.5607 k = 0.6103-0.0297 0.3842 ( 1744 PWs) bands (ev): 5.2726 5.2726 5.9887 5.9887 6.4923 6.4923 7.3397 7.3397 7.9888 7.9888 8.0228 8.0228 8.2655 8.2655 8.4094 8.4094 8.5855 8.5855 8.6773 8.6773 8.7754 8.7754 8.9157 8.9157 9.3577 9.3577 9.4648 9.4648 9.6719 9.6719 9.7472 9.7472 9.8854 9.8854 10.2810 10.2810 11.5191 11.5191 14.3294 14.3294 17.7434 17.7434 19.7428 19.7428 k = 0.6140-0.0403 0.3902 ( 1742 PWs) bands (ev): 5.3082 5.3082 6.0326 6.0326 6.4363 6.4363 7.3203 7.3203 8.0010 8.0010 8.0342 8.0342 8.2613 8.2613 8.3994 8.3994 8.6113 8.6113 8.6946 8.6946 8.7756 8.7756 8.9162 8.9162 9.3507 9.3507 9.4628 9.4628 9.6764 9.6764 9.7499 9.7499 9.8869 9.8869 10.2285 10.2285 11.4495 11.4495 14.3146 14.3146 17.5983 17.5983 19.9210 19.9210 k = 0.6176-0.0509 0.3962 ( 1742 PWs) bands (ev): 5.3399 5.3399 6.0628 6.0628 6.3954 6.3954 7.3030 7.3030 8.0067 8.0067 8.0516 8.0516 8.2566 8.2566 8.3895 8.3895 8.6346 8.6346 8.7128 8.7128 8.7763 8.7763 8.9178 8.9178 9.3439 9.3439 9.4615 9.4615 9.6798 9.6798 9.7517 9.7517 9.8872 9.8872 10.1867 10.1867 11.3837 11.3837 14.3010 14.3010 17.4553 17.4553 20.0903 20.0903 k = 0.6213-0.0616 0.4022 ( 1742 PWs) bands (ev): 5.3659 5.3659 6.0704 6.0704 6.3804 6.3804 7.2877 7.2877 8.0095 8.0095 8.0710 8.0710 8.2515 8.2515 8.3801 8.3801 8.6540 8.6540 8.7317 8.7317 8.7781 8.7781 8.9213 8.9213 9.3372 9.3372 9.4611 9.4611 9.6823 9.6823 9.7529 9.7529 9.8855 9.8855 10.1569 10.1569 11.3222 11.3222 14.2885 14.2885 17.3147 17.3147 20.2394 20.2394 k = 0.6250-0.0722 0.4082 ( 1738 PWs) bands (ev): 5.3835 5.3835 6.0539 6.0539 6.3953 6.3953 7.2747 7.2747 8.0113 8.0113 8.0901 8.0901 8.2461 8.2461 8.3717 8.3717 8.6684 8.6684 8.7503 8.7503 8.7817 8.7817 8.9280 8.9280 9.3309 9.3309 9.4615 9.4615 9.6838 9.6838 9.7534 9.7534 9.8807 9.8807 10.1396 10.1396 11.2652 11.2652 14.2771 14.2771 17.1765 17.1765 20.3470 20.3470 k = 0.6250-0.0722 0.4082 ( 1738 PWs) bands (ev): 5.3835 5.3835 6.0539 6.0539 6.3953 6.3953 7.2747 7.2747 8.0113 8.0113 8.0901 8.0901 8.2461 8.2461 8.3717 8.3717 8.6684 8.6684 8.7503 8.7503 8.7817 8.7817 8.9280 8.9280 9.3309 9.3309 9.4615 9.4615 9.6838 9.6838 9.7534 9.7534 9.8807 9.8807 10.1396 10.1396 11.2652 11.2652 14.2771 14.2771 17.1765 17.1765 20.3470 20.3470 k = 0.6188-0.0686 0.4185 ( 1744 PWs) bands (ev): 5.3841 5.3841 6.0548 6.0548 6.3959 6.3959 7.2735 7.2735 8.0118 8.0118 8.0904 8.0904 8.2459 8.2459 8.3719 8.3719 8.6651 8.6651 8.7417 8.7417 8.7918 8.7918 8.9280 8.9280 9.3323 9.3323 9.4618 9.4618 9.6825 9.6825 9.7542 9.7542 9.8805 9.8805 10.1393 10.1393 11.2558 11.2558 14.2912 14.2912 17.1775 17.1775 20.3192 20.3192 k = 0.6125-0.0650 0.4287 ( 1744 PWs) bands (ev): 5.3859 5.3859 6.0576 6.0576 6.3977 6.3977 7.2699 7.2699 8.0135 8.0135 8.0913 8.0913 8.2452 8.2452 8.3727 8.3727 8.6554 8.6554 8.7277 8.7277 8.8105 8.8105 8.9280 8.9280 9.3368 9.3368 9.4630 9.4630 9.6792 9.6792 9.7567 9.7567 9.8799 9.8799 10.1386 10.1386 11.2284 11.2284 14.3328 14.3328 17.1805 17.1805 20.2429 20.2429 k = 0.6062-0.0613 0.4389 ( 1742 PWs) bands (ev): 5.3890 5.3890 6.0622 6.0622 6.4007 6.4007 7.2638 7.2638 8.0163 8.0163 8.0928 8.0928 8.2442 8.2442 8.3739 8.3739 8.6398 8.6398 8.7148 8.7148 8.8307 8.8307 8.9281 8.9281 9.3442 9.3442 9.4649 9.4649 9.6741 9.6741 9.7603 9.7603 9.8790 9.8790 10.1375 10.1375 11.1846 11.1846 14.4004 14.4004 17.1854 17.1854 20.1326 20.1326 k = 0.6000-0.0577 0.4491 ( 1744 PWs) bands (ev): 5.3933 5.3933 6.0687 6.0687 6.4048 6.4048 7.2553 7.2553 8.0202 8.0202 8.0948 8.0948 8.2427 8.2427 8.3755 8.3755 8.6199 8.6199 8.7030 8.7030 8.8509 8.8509 8.9284 8.9284 9.3540 9.3540 9.4678 9.4678 9.6677 9.6677 9.7645 9.7645 9.8779 9.8779 10.1358 10.1358 11.1268 11.1268 14.4917 14.4917 17.1924 17.1924 20.0012 20.0012 k = 0.5938-0.0541 0.4593 ( 1746 PWs) bands (ev): 5.3987 5.3987 6.0771 6.0771 6.4100 6.4100 7.2442 7.2442 8.0251 8.0251 8.0974 8.0974 8.2410 8.2410 8.3775 8.3775 8.5971 8.5971 8.6916 8.6916 8.8705 8.8705 8.9290 8.9290 9.3660 9.3660 9.4718 9.4718 9.6603 9.6603 9.7687 9.7687 9.8767 9.8767 10.1338 10.1338 11.0578 11.0578 14.6039 14.6039 17.2013 17.2013 19.8574 19.8574 k = 0.5875-0.0505 0.4695 ( 1747 PWs) bands (ev): 5.4053 5.4053 6.0873 6.0873 6.4162 6.4162 7.2305 7.2305 8.0311 8.0311 8.1006 8.1006 8.2389 8.2389 8.3798 8.3798 8.5727 8.5727 8.6799 8.6799 8.8888 8.8888 8.9302 8.9302 9.3797 9.3797 9.4771 9.4771 9.6524 9.6524 9.7729 9.7729 9.8754 9.8754 10.1313 10.1313 10.9805 10.9805 14.7343 14.7343 17.2122 17.2122 19.7061 19.7061 k = 0.5813-0.0469 0.4797 ( 1743 PWs) bands (ev): 5.4129 5.4129 6.0992 6.0992 6.4234 6.4234 7.2141 7.2141 8.0383 8.0383 8.1044 8.1044 8.2367 8.2367 8.3825 8.3825 8.5474 8.5474 8.6678 8.6678 8.9047 8.9047 8.9331 8.9331 9.3943 9.3943 9.4843 9.4843 9.6441 9.6441 9.7764 9.7764 9.8745 9.8745 10.1284 10.1284 10.8975 10.8975 14.8806 14.8806 17.2250 17.2250 19.5503 19.5503 k = 0.5750-0.0433 0.4899 ( 1741 PWs) bands (ev): 5.4214 5.4214 6.1130 6.1130 6.4313 6.4313 7.1951 7.1951 8.0464 8.0464 8.1087 8.1087 8.2344 8.2344 8.3852 8.3852 8.5216 8.5216 8.6551 8.6551 8.9155 8.9155 8.9403 8.9403 9.4089 9.4089 9.4938 9.4938 9.6355 9.6355 9.7791 9.7791 9.8739 9.8739 10.1251 10.1251 10.8111 10.8111 15.0404 15.0404 17.2399 17.2399 19.3907 19.3907 k = 0.5687-0.0397 0.5001 ( 1743 PWs) bands (ev): 5.4309 5.4309 6.1284 6.1284 6.4397 6.4397 7.1733 7.1733 8.0555 8.0555 8.1133 8.1133 8.2320 8.2320 8.3880 8.3880 8.4956 8.4956 8.6419 8.6419 8.9204 8.9204 8.9525 8.9525 9.4229 9.4229 9.5063 9.5063 9.6267 9.6267 9.7807 9.7807 9.8740 9.8740 10.1214 10.1214 10.7237 10.7237 15.2119 15.2119 17.2568 17.2568 19.2283 19.2283 k = 0.5625-0.0361 0.5103 ( 1747 PWs) bands (ev): 5.4411 5.4411 6.1456 6.1456 6.4485 6.4485 7.1490 7.1490 8.0653 8.0653 8.1183 8.1183 8.2295 8.2295 8.3906 8.3906 8.4698 8.4698 8.6285 8.6285 8.9224 8.9224 8.9664 8.9664 9.4353 9.4353 9.5219 9.5219 9.6178 9.6178 9.7809 9.7809 9.8750 9.8750 10.1174 10.1174 10.6368 10.6368 15.3936 15.3936 17.2756 17.2756 19.0654 19.0655 k = 0.5563-0.0325 0.5205 ( 1749 PWs) bands (ev): 5.4519 5.4519 6.1645 6.1645 6.4572 6.4572 7.1221 7.1221 8.0760 8.0760 8.1238 8.1238 8.2271 8.2271 8.3931 8.3931 8.4445 8.4445 8.6151 8.6151 8.9234 8.9234 8.9802 8.9802 9.4462 9.4462 9.5405 9.5405 9.6091 9.6091 9.7798 9.7798 9.8769 9.8769 10.1132 10.1132 10.5521 10.5521 15.5840 15.5840 17.2965 17.2965 18.9034 18.9034 k = 0.5500-0.0289 0.5307 ( 1749 PWs) bands (ev): 5.4633 5.4633 6.1850 6.1850 6.4654 6.4654 7.0932 7.0932 8.0874 8.0874 8.1295 8.1295 8.2249 8.2249 8.3948 8.3948 8.4203 8.4203 8.6020 8.6020 8.9239 8.9239 8.9932 8.9932 9.4558 9.4558 9.5613 9.5613 9.6006 9.6006 9.7775 9.7775 9.8798 9.8798 10.1088 10.1088 10.4710 10.4710 15.7822 15.7822 17.3193 17.3193 18.7428 18.7428 k = 0.5437-0.0253 0.5409 ( 1751 PWs) bands (ev): 5.4749 5.4749 6.2071 6.2071 6.4726 6.4726 7.0628 7.0628 8.0994 8.0994 8.1354 8.1354 8.2229 8.2229 8.3899 8.3899 8.4030 8.4030 8.5895 8.5895 8.9242 8.9242 9.0050 9.0050 9.4645 9.4645 9.5809 9.5809 9.5948 9.5948 9.7741 9.7741 9.8836 9.8836 10.1043 10.1043 10.3946 10.3946 15.9872 15.9872 17.3442 17.3442 18.5839 18.5839 k = 0.5375-0.0217 0.5511 ( 1751 PWs) bands (ev): 5.4865 5.4865 6.2308 6.2308 6.4778 6.4778 7.0317 7.0317 8.1116 8.1116 8.1414 8.1414 8.2215 8.2215 8.3696 8.3696 8.4017 8.4017 8.5779 8.5779 8.9244 8.9244 9.0157 9.0157 9.4727 9.4727 9.5809 9.5809 9.6094 9.6094 9.7701 9.7701 9.8881 9.8881 10.0997 10.0997 10.3242 10.3242 16.1983 16.1983 17.3710 17.3710 18.4268 18.4269 k = 0.5312-0.0180 0.5613 ( 1747 PWs) bands (ev): 5.4979 5.4979 6.2559 6.2559 6.4799 6.4799 7.0013 7.0013 8.1235 8.1235 8.1474 8.1474 8.2209 8.2209 8.3478 8.3478 8.4024 8.4024 8.5677 8.5677 8.9244 8.9244 9.0250 9.0250 9.4805 9.4805 9.5735 9.5735 9.6310 9.6310 9.7657 9.7657 9.8933 9.8933 10.0952 10.0952 10.2610 10.2610 16.4148 16.4148 17.3999 17.3999 18.2718 18.2718 k = 0.5250-0.0144 0.5715 ( 1753 PWs) bands (ev): 5.5086 5.5086 6.2825 6.2825 6.4777 6.4777 6.9729 6.9729 8.1346 8.1346 8.1531 8.1531 8.2215 8.2215 8.3267 8.3267 8.4028 8.4028 8.5590 8.5590 8.9243 8.9243 9.0326 9.0326 9.4881 9.4881 9.5660 9.5660 9.6512 9.6512 9.7616 9.7616 9.8988 9.8988 10.0905 10.0905 10.2063 10.2063 16.6361 16.6361 17.4309 17.4309 18.1190 18.1190 k = 0.5188-0.0108 0.5818 ( 1753 PWs) bands (ev): 5.5182 5.5182 6.3104 6.3104 6.4697 6.4697 6.9486 6.9486 8.1440 8.1440 8.1583 8.1583 8.2242 8.2242 8.3072 8.3072 8.4029 8.4029 8.5522 8.5522 8.9242 8.9242 9.0386 9.0386 9.4953 9.4953 9.5592 9.5592 9.6680 9.6680 9.7583 9.7583 9.9045 9.9045 10.0852 10.0852 10.1622 10.1622 16.8617 16.8617 17.4639 17.4639 17.9683 17.9683 k = 0.5125-0.0072 0.5920 ( 1751 PWs) bands (ev): 5.5262 5.5262 6.3396 6.3396 6.4547 6.4547 6.9302 6.9302 8.1511 8.1511 8.1623 8.1623 8.2296 8.2296 8.2895 8.2895 8.4025 8.4025 8.5474 8.5474 8.9241 8.9241 9.0430 9.0430 9.5016 9.5016 9.5534 9.5534 9.6802 9.6802 9.7563 9.7563 9.9100 9.9100 10.0783 10.0783 10.1315 10.1315 17.0907 17.0907 17.4991 17.4991 17.8201 17.8201 k = 0.5062-0.0036 0.6022 ( 1749 PWs) bands (ev): 5.5316 5.5316 6.3697 6.3697 6.4325 6.4325 6.9189 6.9189 8.1557 8.1557 8.1645 8.1645 8.2373 8.2373 8.2746 8.2746 8.4021 8.4021 8.5446 8.5446 8.9240 8.9240 9.0457 9.0457 9.5061 9.5061 9.5494 9.5494 9.6870 9.6870 9.7554 9.7554 9.9143 9.9143 10.0701 10.0701 10.1160 10.1160 17.3209 17.3209 17.5369 17.5369 17.6749 17.6749 k = 0.5000-0.0000 0.6124 ( 1744 PWs) bands (ev): 5.5338 5.5338 6.3950 6.3950 6.4096 6.4096 6.9153 6.9153 8.1574 8.1574 8.1650 8.1650 8.2425 8.2425 8.2673 8.2673 8.4019 8.4019 8.5438 8.5438 8.9239 8.9239 9.0466 9.0466 9.5078 9.5078 9.5480 9.5480 9.6890 9.6890 9.7553 9.7553 9.9159 9.9159 10.0660 10.0660 10.1120 10.1120 17.5212 17.5212 17.5322 17.5322 17.5842 17.5842 k = 0.5000-0.0000 0.6124 ( 1744 PWs) bands (ev): 5.5338 5.5338 6.3950 6.3950 6.4096 6.4096 6.9153 6.9153 8.1574 8.1574 8.1650 8.1650 8.2425 8.2425 8.2673 8.2673 8.4019 8.4019 8.5438 8.5438 8.9239 8.9239 9.0466 9.0466 9.5078 9.5078 9.5480 9.5480 9.6890 9.6890 9.7553 9.7553 9.9159 9.9159 10.0660 10.0660 10.1120 10.1120 17.5212 17.5212 17.5322 17.5322 17.5842 17.5842 k = 0.5000 0.0074 0.6019 ( 1746 PWs) bands (ev): 5.5298 5.5298 6.3908 6.3908 6.4097 6.4097 6.9224 6.9224 8.1534 8.1534 8.1655 8.1655 8.2415 8.2415 8.2686 8.2686 8.4033 8.4033 8.5451 8.5451 8.9234 8.9234 9.0445 9.0445 9.5060 9.5060 9.5489 9.5489 9.6855 9.6855 9.7553 9.7553 9.9128 9.9128 10.0759 10.0759 10.1191 10.1191 17.4351 17.4351 17.4825 17.4825 17.6703 17.6703 k = 0.5000 0.0148 0.5914 ( 1752 PWs) bands (ev): 5.5181 5.5181 6.3700 6.3700 6.4194 6.4194 6.9424 6.9424 8.1437 8.1437 8.1652 8.1652 8.2390 8.2390 8.2723 8.2723 8.4072 8.4072 8.5492 8.5492 8.9219 8.9219 9.0382 9.0382 9.5011 9.5011 9.5507 9.5507 9.6762 9.6762 9.7550 9.7550 9.9054 9.9054 10.1026 10.1026 10.1400 10.1400 17.3266 17.3266 17.4022 17.4022 17.7749 17.7750 k = 0.5000 0.0222 0.5810 ( 1752 PWs) bands (ev): 5.4994 5.4994 6.3356 6.3356 6.4381 6.4381 6.9724 6.9724 8.1299 8.1299 8.1633 8.1633 8.2357 8.2357 8.2775 8.2775 8.4130 8.4130 8.5558 8.5558 8.9190 8.9190 9.0285 9.0285 9.4946 9.4946 9.5523 9.5523 9.6639 9.6639 9.7534 9.7534 9.8974 9.8974 10.1408 10.1408 10.1746 10.1746 17.2188 17.2188 17.3200 17.3200 17.8716 17.8716 k = 0.5000 0.0296 0.5705 ( 1752 PWs) bands (ev): 5.4747 5.4747 6.2922 6.2922 6.4635 6.4635 7.0091 7.0091 8.1129 8.1129 8.1602 8.1602 8.2320 8.2320 8.2836 8.2836 8.4197 8.4197 8.5647 8.5647 8.9144 8.9144 9.0162 9.0162 9.4876 9.4876 9.5527 9.5527 9.6512 9.6512 9.7505 9.7505 9.8905 9.8905 10.1865 10.1865 10.2222 10.2222 17.1129 17.1129 17.2390 17.2390 17.9699 17.9699 k = 0.5000 0.0370 0.5600 ( 1752 PWs) bands (ev): 5.4449 5.4449 6.2429 6.2429 6.4943 6.4943 7.0499 7.0499 8.0934 8.0934 8.1563 8.1563 8.2281 8.2281 8.2903 8.2903 8.4267 8.4267 8.5755 8.5755 8.9075 8.9075 9.0025 9.0025 9.4806 9.4806 9.5512 9.5512 9.6397 9.6397 9.7464 9.7464 9.8852 9.8852 10.2383 10.2383 10.2811 10.2811 17.0091 17.0091 17.1598 17.1598 18.0708 18.0708 k = 0.5000 0.0444 0.5496 ( 1748 PWs) bands (ev): 5.4111 5.4111 6.1895 6.1895 6.5294 6.5294 7.0928 7.0928 8.0722 8.0722 8.1517 8.1517 8.2240 8.2240 8.2974 8.2974 8.4336 8.4336 8.5877 8.5877 8.8973 8.8973 8.9891 8.9891 9.4742 9.4742 9.5479 9.5479 9.6305 9.6305 9.7417 9.7417 9.8817 9.8817 10.2963 10.2963 10.3487 10.3487 16.9076 16.9076 17.0827 17.0827 18.1744 18.1744 k = 0.5000 0.0518 0.5391 ( 1752 PWs) bands (ev): 5.3743 5.3743 6.1336 6.1336 6.5678 6.5678 7.1367 7.1367 8.0497 8.0497 8.1467 8.1467 8.2196 8.2196 8.3046 8.3046 8.4401 8.4401 8.6003 8.6003 8.8831 8.8831 8.9772 8.9772 9.4684 9.4684 9.5429 9.5429 9.6236 9.6236 9.7366 9.7366 9.8795 9.8795 10.3609 10.3609 10.4235 10.4235 16.8085 16.8085 17.0076 17.0076 18.2805 18.2805 k = 0.5000 0.0592 0.5286 ( 1752 PWs) bands (ev): 5.3352 5.3352 6.0761 6.0761 6.6087 6.6087 7.1807 7.1807 8.0265 8.0265 8.1414 8.1414 8.2149 8.2149 8.3119 8.3119 8.4463 8.4463 8.6129 8.6129 8.8652 8.8652 8.9676 8.9676 9.4634 9.4634 9.5370 9.5370 9.6186 9.6186 9.7314 9.7314 9.8784 9.8784 10.4319 10.4319 10.5044 10.5044 16.7117 16.7117 16.9347 16.9347 18.3891 18.3892 k = 0.5000 0.0666 0.5182 ( 1754 PWs) bands (ev): 5.2945 5.2945 6.0177 6.0177 6.6515 6.6515 7.2242 7.2242 8.0028 8.0028 8.1360 8.1360 8.2100 8.2100 8.3190 8.3190 8.4521 8.4521 8.6247 8.6247 8.8447 8.8447 8.9601 8.9601 9.4591 9.4591 9.5310 9.5310 9.6149 9.6149 9.7264 9.7264 9.8781 9.8781 10.5094 10.5094 10.5907 10.5907 16.6174 16.6174 16.8639 16.8639 18.5003 18.5003 k = 0.5000 0.0740 0.5077 ( 1742 PWs) bands (ev): 5.2528 5.2528 5.9591 5.9591 6.6956 6.6956 7.2670 7.2670 7.9791 7.9791 8.1306 8.1306 8.2049 8.2049 8.3261 8.3261 8.4578 8.4578 8.6348 8.6348 8.8230 8.8230 8.9541 8.9541 9.4558 9.4558 9.5258 9.5258 9.6121 9.6121 9.7216 9.7216 9.8787 9.8787 10.5933 10.5933 10.6822 10.6822 16.5255 16.5255 16.7952 16.7952 18.6140 18.6140 k = 0.5000 0.0814 0.4972 ( 1744 PWs) bands (ev): 5.2105 5.2105 5.9006 5.9006 6.7404 6.7404 7.3086 7.3086 7.9551 7.9551 8.1251 8.1251 8.1994 8.1994 8.3327 8.3327 8.4632 8.4632 8.6423 8.6423 8.8017 8.8017 8.9489 8.9489 9.4529 9.4529 9.5215 9.5215 9.6096 9.6096 9.7170 9.7170 9.8798 9.8798 10.6833 10.6833 10.7782 10.7782 16.4362 16.4362 16.7286 16.7286 18.7302 18.7302 k = 0.5000 0.0888 0.4868 ( 1746 PWs) bands (ev): 5.1679 5.1679 5.8425 5.8425 6.7856 6.7856 7.3491 7.3491 7.9314 7.9314 8.1196 8.1196 8.1935 8.1935 8.3389 8.3389 8.4683 8.4683 8.6460 8.6460 8.7826 8.7826 8.9442 8.9442 9.4507 9.4507 9.5184 9.5184 9.6073 9.6073 9.7126 9.7126 9.8813 9.8813 10.7794 10.7794 10.8786 10.8786 16.3494 16.3494 16.6640 16.6640 18.8488 18.8488 k = 0.5000 0.0962 0.4763 ( 1742 PWs) bands (ev): 5.1255 5.1255 5.7851 5.7851 6.8309 6.8309 7.3883 7.3883 7.9080 7.9080 8.1144 8.1144 8.1873 8.1873 8.3446 8.3446 8.4733 8.4733 8.6450 8.6450 8.7674 8.7674 8.9397 8.9397 9.4490 9.4490 9.5166 9.5166 9.6051 9.6051 9.7086 9.7086 9.8833 9.8833 10.8814 10.8814 10.9834 10.9834 16.2652 16.2652 16.6014 16.6014 18.9698 18.9698 k = 0.5000 0.1036 0.4658 ( 1750 PWs) bands (ev): 5.0833 5.0833 5.7287 5.7287 6.8761 6.8761 7.4261 7.4261 7.8849 7.8849 8.1091 8.1091 8.1807 8.1807 8.3495 8.3495 8.4779 8.4779 8.6383 8.6383 8.7568 8.7568 8.9353 8.9353 9.4479 9.4479 9.5160 9.5160 9.6026 9.6026 9.7047 9.7047 9.8856 9.8856 10.9891 10.9891 11.0923 11.0923 16.1836 16.1836 16.5406 16.5406 19.0932 19.0932 k = 0.5000 0.1110 0.4554 ( 1754 PWs) bands (ev): 5.0418 5.0418 5.6735 5.6735 6.9209 6.9209 7.4626 7.4626 7.8623 7.8623 8.1040 8.1040 8.1738 8.1738 8.3536 8.3536 8.4822 8.4822 8.6271 8.6271 8.7508 8.7508 8.9307 8.9307 9.4473 9.4473 9.5167 9.5167 9.6002 9.6002 9.7011 9.7011 9.8882 9.8882 11.1023 11.1023 11.2051 11.2051 16.1046 16.1046 16.4817 16.4817 19.2188 19.2188 k = 0.5000 0.1184 0.4449 ( 1752 PWs) bands (ev): 5.0011 5.0011 5.6196 5.6196 6.9650 6.9650 7.4978 7.4978 7.8404 7.8404 8.0991 8.0991 8.1667 8.1667 8.3566 8.3566 8.4860 8.4860 8.6131 8.6131 8.7480 8.7480 8.9260 8.9260 9.4472 9.4472 9.5185 9.5185 9.5979 9.5979 9.6978 9.6978 9.8911 9.8911 11.2209 11.2209 11.3219 11.3219 16.0283 16.0283 16.4246 16.4246 19.3466 19.3466 k = 0.5000 0.1258 0.4344 ( 1754 PWs) bands (ev): 4.9612 4.9612 5.5673 5.5673 7.0084 7.0084 7.5316 7.5316 7.8192 7.8192 8.0943 8.0943 8.1592 8.1592 8.3585 8.3585 8.4892 8.4892 8.5983 8.5983 8.7467 8.7467 8.9211 8.9211 9.4476 9.4476 9.5211 9.5211 9.5955 9.5955 9.6947 9.6947 9.8941 9.8941 11.3446 11.3446 11.4425 11.4425 15.9548 15.9548 16.3691 16.3691 19.4596 19.4596 k = 0.5000 0.1332 0.4240 ( 1754 PWs) bands (ev): 4.9225 4.9225 5.5166 5.5166 7.0508 7.0508 7.5641 7.5641 7.7988 7.7988 8.0898 8.0898 8.1516 8.1516 8.3590 8.3590 8.4915 8.4915 8.5841 8.5841 8.7462 8.7462 8.9160 8.9160 9.4483 9.4483 9.5244 9.5244 9.5932 9.5932 9.6919 9.6919 9.8974 9.8974 11.4732 11.4732 11.5669 11.5669 15.8840 15.8840 16.3152 16.3152 19.3776 19.3776 k = 0.5000 0.1406 0.4135 ( 1756 PWs) bands (ev): 4.8850 4.8850 5.4676 5.4676 7.0922 7.0922 7.5952 7.5952 7.7793 7.7793 8.0854 8.0854 8.1438 8.1438 8.3579 8.3579 8.4925 8.4925 8.5718 8.5718 8.7458 8.7458 8.9107 8.9107 9.4494 9.4494 9.5281 9.5281 9.5911 9.5911 9.6894 9.6894 9.9009 9.9009 11.6065 11.6065 11.6950 11.6950 15.8160 15.8160 16.2627 16.2627 19.2265 19.2265 k = 0.5000 0.1480 0.4030 ( 1756 PWs) bands (ev): 4.8487 4.8487 5.4205 5.4205 7.1323 7.1323 7.6247 7.6247 7.7613 7.7613 8.0813 8.0813 8.1360 8.1360 8.3553 8.3553 8.4918 8.4918 8.5622 8.5622 8.7454 8.7454 8.9051 8.9051 9.4506 9.4506 9.5320 9.5320 9.5893 9.5893 9.6872 9.6872 9.9045 9.9045 11.7442 11.7442 11.8267 11.8267 15.7509 15.7509 16.2114 16.2114 19.0388 19.0388 k = 0.5000 0.1554 0.3925 ( 1754 PWs) bands (ev): 4.8139 4.8139 5.3754 5.3754 7.1711 7.1711 7.6519 7.6519 7.7455 7.7455 8.0774 8.0774 8.1280 8.1280 8.3509 8.3509 8.4893 8.4893 8.5556 8.5556 8.7448 8.7448 8.8994 8.8994 9.4520 9.4520 9.5360 9.5360 9.5880 9.5880 9.6852 9.6852 9.9082 9.9082 11.8859 11.8859 11.9621 11.9621 15.6886 15.6886 16.1612 16.1612 18.8336 18.8336 k = 0.5000 0.1628 0.3821 ( 1754 PWs) bands (ev): 4.7806 4.7806 5.3324 5.3324 7.2085 7.2085 7.6740 7.6740 7.7346 7.7346 8.0737 8.0737 8.1201 8.1201 8.3450 8.3450 8.4851 8.4851 8.5520 8.5520 8.7442 8.7442 8.8935 8.8935 9.4534 9.4534 9.5397 9.5397 9.5874 9.5874 9.6836 9.6836 9.9120 9.9120 12.0315 12.0315 12.1011 12.1011 15.6292 15.6292 16.1118 16.1118 18.6202 18.6202 k = 0.5000 0.1702 0.3716 ( 1758 PWs) bands (ev): 4.7488 4.7488 5.2914 5.2914 7.2442 7.2442 7.6831 7.6831 7.7366 7.7366 8.0701 8.0701 8.1122 8.1122 8.3377 8.3377 8.4796 8.4796 8.5504 8.5504 8.7434 8.7434 8.8876 8.8876 9.4546 9.4546 9.5427 9.5427 9.5877 9.5877 9.6823 9.6823 9.9158 9.9158 12.1806 12.1806 12.2437 12.2437 15.5728 15.5728 16.0630 16.0630 18.4029 18.4029 k = 0.5000 0.1776 0.3611 ( 1756 PWs) bands (ev): 4.7186 4.7186 5.2527 5.2527 7.2783 7.2783 7.6773 7.6773 7.7537 7.7537 8.0668 8.0668 8.1046 8.1046 8.3292 8.3292 8.4734 8.4734 8.5504 8.5504 8.7428 8.7428 8.8816 8.8816 9.4558 9.4558 9.5449 9.5449 9.5891 9.5891 9.6813 9.6813 9.9196 9.9196 12.3329 12.3329 12.3899 12.3899 15.5193 15.5193 16.0144 16.0144 18.1841 18.1841 k = 0.5000 0.1850 0.3507 ( 1758 PWs) bands (ev): 4.6902 4.6902 5.2161 5.2161 7.3106 7.3106 7.6661 7.6661 7.7762 7.7762 8.0637 8.0637 8.0973 8.0973 8.3199 8.3199 8.4667 8.4667 8.5511 8.5511 8.7423 8.7423 8.8756 8.8756 9.4567 9.4567 9.5463 9.5463 9.5914 9.5914 9.6807 9.6807 9.9234 9.9234 12.4879 12.4879 12.5397 12.5397 15.4688 15.4688 15.9656 15.9656 17.9652 17.9652 k = 0.5000 0.1925 0.3402 ( 1758 PWs) bands (ev): 4.6635 4.6635 5.1819 5.1819 7.3409 7.3409 7.6543 7.6543 7.7998 7.7998 8.0609 8.0609 8.0903 8.0903 8.3099 8.3099 8.4597 8.4597 8.5523 8.5523 8.7420 8.7420 8.8698 8.8698 9.4573 9.4573 9.5469 9.5469 9.5946 9.5946 9.6805 9.6805 9.9271 9.9271 12.6453 12.6453 12.6931 12.6931 15.4213 15.4213 15.9161 15.9161 17.7471 17.7471 k = 0.5000 0.1999 0.3297 ( 1752 PWs) bands (ev): 4.6386 4.6386 5.1501 5.1501 7.3691 7.3691 7.6430 7.6430 7.8231 7.8231 8.0583 8.0583 8.0839 8.0839 8.2997 8.2997 8.4524 8.4524 8.5536 8.5536 8.7420 8.7420 8.8641 8.8641 9.4577 9.4577 9.5469 9.5469 9.5983 9.5983 9.6807 9.6807 9.9307 9.9307 12.8047 12.8047 12.8501 12.8501 15.3768 15.3768 15.8652 15.8652 17.5304 17.5304 k = 0.5000 0.2073 0.3193 ( 1752 PWs) bands (ev): 4.6156 4.6156 5.1207 5.1207 7.3950 7.3950 7.6326 7.6326 7.8458 7.8458 8.0560 8.0560 8.0780 8.0780 8.2892 8.2892 8.4449 8.4449 8.5550 8.5550 8.7421 8.7421 8.8587 8.8587 9.4578 9.4578 9.5466 9.5466 9.6022 9.6022 9.6812 9.6812 9.9342 9.9342 12.9660 12.9660 13.0103 13.0103 15.3353 15.3353 15.8123 15.8123 17.3157 17.3157 k = 0.5000 0.2147 0.3088 ( 1748 PWs) bands (ev): 4.5944 4.5944 5.0937 5.0937 7.4184 7.4184 7.6235 7.6235 7.8677 7.8677 8.0539 8.0539 8.0730 8.0730 8.2787 8.2787 8.4371 8.4371 8.5562 8.5562 8.7425 8.7425 8.8536 8.8536 9.4576 9.4576 9.5461 9.5461 9.6062 9.6062 9.6820 9.6820 9.9375 9.9375 13.1288 13.1288 13.1735 13.1735 15.2966 15.2966 15.7564 15.7564 17.1035 17.1035 k = 0.5000 0.2221 0.2983 ( 1746 PWs) bands (ev): 4.5751 4.5751 5.0691 5.0691 7.4391 7.4391 7.6158 7.6158 7.8885 7.8885 8.0520 8.0520 8.0687 8.0687 8.2682 8.2682 8.4293 8.4293 8.5573 8.5573 8.7431 8.7431 8.8488 8.8488 9.4573 9.4573 9.5454 9.5454 9.6100 9.6100 9.6831 9.6831 9.9406 9.9406 13.2931 13.2931 13.3390 13.3390 15.2606 15.2606 15.6966 15.6966 16.8942 16.8942 k = 0.5000 0.2295 0.2879 ( 1744 PWs) bands (ev): 4.5578 4.5578 5.0471 5.0471 7.4569 7.4569 7.6098 7.6098 7.9079 7.9079 8.0503 8.0503 8.0654 8.0654 8.2578 8.2578 8.4214 8.4214 8.5582 8.5582 8.7439 8.7439 8.8445 8.8445 9.4567 9.4567 9.5447 9.5447 9.6135 9.6135 9.6845 9.6845 9.9435 9.9435 13.4589 13.4589 13.5063 13.5063 15.2271 15.2271 15.6316 15.6316 16.6886 16.6886 k = 0.5000 0.2369 0.2774 ( 1748 PWs) bands (ev): 4.5425 4.5425 5.0276 5.0276 7.4715 7.4715 7.6056 7.6056 7.9259 7.9259 8.0488 8.0488 8.0631 8.0631 8.2476 8.2476 8.4136 8.4136 8.5589 8.5589 8.7446 8.7446 8.8405 8.8405 9.4559 9.4559 9.5441 9.5441 9.6165 9.6165 9.6859 9.6859 9.9460 9.9460 13.6258 13.6258 13.6746 13.6746 15.1957 15.1957 15.5602 15.5602 16.4875 16.4875 k = 0.5000 0.2443 0.2669 ( 1750 PWs) bands (ev): 4.5292 4.5292 5.0107 5.0107 7.4830 7.4830 7.6032 7.6032 7.9419 7.9419 8.0475 8.0475 8.0621 8.0621 8.2377 8.2377 8.4062 8.4062 8.5594 8.5594 8.7454 8.7454 8.8371 8.8371 9.4552 9.4552 9.5435 9.5435 9.6192 9.6192 9.6874 9.6874 9.9484 9.9484 13.7934 13.7934 13.8432 13.8432 15.1654 15.1654 15.4813 15.4813 16.2922 16.2922 k = 0.5000 0.2517 0.2565 ( 1748 PWs) bands (ev): 4.5179 4.5179 4.9963 4.9963 7.4917 7.4917 7.6024 7.6024 7.9558 7.9558 8.0465 8.0465 8.0623 8.0623 8.2284 8.2284 8.3995 8.3995 8.5599 8.5599 8.7463 8.7463 8.8342 8.8342 9.4544 9.4544 9.5430 9.5430 9.6215 9.6215 9.6890 9.6890 9.9503 9.9503 13.9610 13.9610 14.0112 14.0112 15.1349 15.1349 15.3939 15.3939 16.1050 16.1050 k = 0.5000 0.2591 0.2460 ( 1746 PWs) bands (ev): 4.5086 4.5086 4.9846 4.9846 7.4976 7.4976 7.6031 7.6031 7.9672 7.9672 8.0457 8.0457 8.0638 8.0638 8.2198 8.2198 8.3936 8.3936 8.5602 8.5602 8.7470 8.7470 8.8319 8.8319 9.4537 9.4537 9.5425 9.5425 9.6232 9.6232 9.6904 9.6904 9.9520 9.9520 14.1271 14.1271 14.1778 14.1778 15.1015 15.1015 15.2973 15.2973 15.9296 15.9296 k = 0.5000 0.2665 0.2355 ( 1746 PWs) bands (ev): 4.5014 4.5014 4.9754 4.9754 7.5014 7.5014 7.6043 7.6043 7.9758 7.9758 8.0450 8.0450 8.0662 8.0662 8.2122 8.2122 8.3888 8.3888 8.5603 8.5603 8.7476 8.7476 8.8300 8.8300 9.4531 9.4531 9.5422 9.5422 9.6246 9.6246 9.6915 9.6915 9.9533 9.9533 14.2898 14.2898 14.3415 14.3415 15.0600 15.0600 15.1920 15.1920 15.7728 15.7728 k = 0.5000 0.2739 0.2251 ( 1746 PWs) bands (ev): 4.4962 4.4962 4.9688 4.9688 7.5036 7.5036 7.6057 7.6057 7.9818 7.9818 8.0446 8.0446 8.0688 8.0688 8.2062 8.2062 8.3851 8.3851 8.5604 8.5604 8.7481 8.7481 8.8287 8.8287 9.4526 9.4526 9.5419 9.5419 9.6256 9.6256 9.6924 9.6924 9.9543 9.9543 14.4452 14.4452 14.4994 14.4994 15.0026 15.0026 15.0803 15.0803 15.6456 15.6456 k = 0.5000 0.2813 0.2146 ( 1754 PWs) bands (ev): 4.4931 4.4931 4.9649 4.9649 7.5047 7.5047 7.6068 7.6068 7.9852 7.9852 8.0442 8.0442 8.0707 8.0707 8.2022 8.2022 8.3828 8.3828 8.5604 8.5604 8.7483 8.7483 8.8279 8.8279 9.4522 9.4522 9.5416 9.5416 9.6262 9.6262 9.6930 9.6930 9.9548 9.9548 14.5839 14.5839 14.6432 14.6432 14.9245 14.9245 14.9700 14.9700 15.5621 15.5621 k = 0.5000 0.2887 0.2041 ( 1772 PWs) bands (ev): 4.4920 4.4920 4.9635 4.9635 7.5050 7.5050 7.6071 7.6071 7.9862 7.9862 8.0438 8.0438 8.0713 8.0713 8.2006 8.2006 8.3819 8.3819 8.5603 8.5603 8.7483 8.7483 8.8275 8.8275 9.4518 9.4518 9.5412 9.5412 9.6263 9.6263 9.6932 9.6932 9.9548 9.9548 14.6586 14.6586 14.7257 14.7257 14.8680 14.8680 14.9016 14.9016 15.5331 15.5331 k = 0.5000 0.2887 0.2041 ( 1772 PWs) bands (ev): 4.4920 4.4920 4.9635 4.9635 7.5050 7.5050 7.6071 7.6071 7.9862 7.9862 8.0438 8.0438 8.0713 8.0713 8.2006 8.2006 8.3819 8.3819 8.5603 8.5603 8.7483 8.7483 8.8275 8.8275 9.4518 9.4518 9.5412 9.5412 9.6263 9.6263 9.6932 9.6932 9.9548 9.9548 14.6586 14.6586 14.7257 14.7257 14.8680 14.8680 14.9016 14.9016 15.5331 15.5331 k = 0.4963 0.2866 0.2161 ( 1753 PWs) bands (ev): 4.4931 4.4931 4.9649 4.9649 7.5047 7.5047 7.6068 7.6068 7.9852 7.9852 8.0443 8.0443 8.0708 8.0708 8.2022 8.2022 8.3828 8.3828 8.5604 8.5604 8.7483 8.7483 8.8279 8.8279 9.4522 9.4522 9.5416 9.5416 9.6262 9.6262 9.6930 9.6930 9.9548 9.9548 14.5843 14.5843 14.6447 14.6447 14.9227 14.9227 14.9703 14.9703 15.5617 15.5617 k = 0.4926 0.2844 0.2281 ( 1751 PWs) bands (ev): 4.4961 4.4961 4.9688 4.9688 7.5036 7.5036 7.6058 7.6058 7.9818 7.9818 8.0445 8.0445 8.0688 8.0688 8.2061 8.2061 8.3851 8.3851 8.5604 8.5604 8.7480 8.7480 8.8287 8.8287 9.4525 9.4525 9.5418 9.5418 9.6256 9.6256 9.6924 9.6924 9.9542 9.9542 14.4403 14.4403 14.5107 14.5107 14.9873 14.9873 15.0915 15.0915 15.6435 15.6435 k = 0.4890 0.2823 0.2401 ( 1747 PWs) bands (ev): 4.5012 4.5012 4.9752 4.9752 7.5014 7.5014 7.6044 7.6044 7.9760 7.9760 8.0449 8.0449 8.0663 8.0663 8.2120 8.2120 8.3887 8.3887 8.5603 8.5603 8.7476 8.7476 8.8300 8.8300 9.4530 9.4530 9.5421 9.5421 9.6246 9.6246 9.6916 9.6916 9.9533 9.9533 14.2697 14.2697 14.3756 14.3756 15.0183 15.0183 15.2273 15.2273 15.7656 15.7656 k = 0.4853 0.2802 0.2522 ( 1745 PWs) bands (ev): 4.5084 4.5084 4.9843 4.9843 7.4977 7.4977 7.6031 7.6031 7.9675 7.9675 8.0451 8.0451 8.0644 8.0644 8.2195 8.2195 8.3935 8.3935 8.5602 8.5602 8.7470 8.7470 8.8318 8.8318 9.4537 9.4537 9.5425 9.5425 9.6233 9.6233 9.6904 9.6904 9.9521 9.9521 14.0864 14.0864 14.2432 14.2432 15.0242 15.0242 15.3689 15.3689 15.9111 15.9111 k = 0.4816 0.2781 0.2642 ( 1747 PWs) bands (ev): 4.5175 4.5175 4.9959 4.9959 7.4919 7.4919 7.6025 7.6025 7.9564 7.9564 8.0445 8.0445 8.0642 8.0642 8.2280 8.2280 8.3993 8.3993 8.5599 8.5599 8.7463 8.7463 8.8342 8.8342 9.4544 9.4544 9.5430 9.5430 9.6215 9.6215 9.6891 9.6891 9.9504 9.9504 13.8971 13.8971 14.1128 14.1128 15.0142 15.0142 15.5141 15.5141 16.0677 16.0677 k = 0.4779 0.2759 0.2762 ( 1745 PWs) bands (ev): 4.5287 4.5287 5.0101 5.0101 7.4836 7.4836 7.6031 7.6031 7.9429 7.9429 8.0431 8.0431 8.0663 8.0663 8.2373 8.2373 8.4060 8.4060 8.5595 8.5595 8.7455 8.7455 8.8370 8.8370 9.4551 9.4551 9.5435 9.5435 9.6192 9.6192 9.6876 9.6876 9.9484 9.9484 13.7054 13.7054 13.9844 13.9844 14.9946 14.9946 15.6618 15.6618 16.2282 16.2282 k = 0.4743 0.2738 0.2882 ( 1749 PWs) bands (ev): 4.5418 4.5418 5.0268 5.0268 7.4722 7.4722 7.6053 7.6053 7.9273 7.9273 8.0409 8.0409 8.0706 8.0706 8.2469 8.2469 8.4132 8.4132 8.5590 8.5590 8.7447 8.7447 8.8404 8.8404 9.4558 9.4558 9.5441 9.5441 9.6165 9.6165 9.6860 9.6860 9.9461 9.9461 13.5130 13.5130 13.8578 13.8578 14.9686 14.9686 15.8118 15.8118 16.3889 16.3889 k = 0.4706 0.2717 0.3002 ( 1747 PWs) bands (ev): 4.5570 4.5570 5.0460 5.0460 7.4577 7.4577 7.6095 7.6095 7.9099 7.9099 8.0384 8.0384 8.0767 8.0767 8.2569 8.2569 8.4208 8.4208 8.5583 8.5583 8.7439 8.7439 8.8442 8.8442 9.4565 9.4565 9.5449 9.5449 9.6134 9.6134 9.6847 9.6847 9.9436 9.9436 13.3212 13.3212 13.7330 13.7330 14.9386 14.9386 15.9639 15.9639 16.5482 16.5482 k = 0.4669 0.2696 0.3122 ( 1747 PWs) bands (ev): 4.5741 4.5741 5.0678 5.0678 7.4401 7.4401 7.6154 7.6154 7.8909 7.8909 8.0358 8.0358 8.0843 8.0843 8.2669 8.2669 8.4285 8.4285 8.5574 8.5574 8.7432 8.7432 8.8485 8.8485 9.4569 9.4569 9.5457 9.5457 9.6098 9.6098 9.6836 9.6836 9.9407 9.9407 13.1309 13.1309 13.6101 13.6101 14.9060 14.9060 16.1179 16.1179 16.7055 16.7055 k = 0.4632 0.2674 0.3242 ( 1746 PWs) bands (ev): 4.5931 4.5931 5.0920 5.0920 7.4196 7.4196 7.6230 7.6230 7.8706 7.8706 8.0332 8.0332 8.0933 8.0933 8.2770 8.2770 8.4362 8.4362 8.5564 8.5564 8.7427 8.7427 8.8531 8.8531 9.4570 9.4570 9.5465 9.5465 9.6058 9.6058 9.6829 9.6829 9.9376 9.9376 12.9428 12.9428 13.4891 13.4891 14.8718 14.8718 16.2739 16.2739 16.8608 16.8608 k = 0.4596 0.2653 0.3362 ( 1750 PWs) bands (ev): 4.6139 4.6139 5.1186 5.1186 7.3963 7.3963 7.6320 7.6320 7.8491 7.8491 8.0307 8.0307 8.1033 8.1033 8.2869 8.2869 8.4437 8.4437 8.5552 8.5552 8.7424 8.7424 8.8581 8.8581 9.4567 9.4567 9.5473 9.5473 9.6015 9.6015 9.6825 9.6825 9.9343 9.9343 12.7575 12.7575 13.3699 13.3699 14.8368 14.8368 16.4318 16.4318 17.0146 17.0146 k = 0.4559 0.2632 0.3482 ( 1752 PWs) bands (ev): 4.6367 4.6367 5.1477 5.1477 7.3704 7.3704 7.6422 7.6422 7.8268 7.8268 8.0282 8.0282 8.1148 8.1148 8.2967 8.2967 8.4509 8.4509 8.5539 8.5539 8.7425 8.7425 8.8633 8.8633 9.4560 9.4560 9.5480 9.5480 9.5972 9.5972 9.6827 9.6827 9.9307 9.9307 12.5754 12.5754 13.2526 13.2526 14.8015 14.8015 16.5915 16.5915 17.1676 17.1676 k = 0.4522 0.2611 0.3602 ( 1752 PWs) bands (ev): 4.6613 4.6613 5.1791 5.1791 7.3421 7.3421 7.6535 7.6535 7.8037 7.8037 8.0259 8.0259 8.1274 8.1274 8.3063 8.3063 8.4578 8.4578 8.5523 8.5523 8.7430 8.7430 8.8686 8.8686 9.4547 9.4547 9.5484 9.5484 9.5932 9.5932 9.6834 9.6834 9.9270 9.9270 12.3971 12.3971 13.1373 13.1373 14.7664 14.7664 16.7531 16.7531 17.3201 17.3201 k = 0.4485 0.2590 0.3722 ( 1754 PWs) bands (ev): 4.6876 4.6876 5.2129 5.2129 7.3115 7.3115 7.6652 7.6652 7.7803 7.7803 8.0237 8.0237 8.1410 8.1410 8.3155 8.3155 8.4644 8.4644 8.5507 8.5507 8.7439 8.7439 8.8741 8.8741 9.4528 9.4528 9.5479 9.5479 9.5900 9.5900 9.6847 9.6847 9.9232 9.9232 12.2228 12.2228 13.0239 13.0239 14.7318 14.7318 16.9165 16.9165 17.4729 17.4729 k = 0.4449 0.2568 0.3842 ( 1750 PWs) bands (ev): 4.7156 4.7156 5.2489 5.2489 7.2786 7.2786 7.6764 7.6764 7.7578 7.7578 8.0218 8.0218 8.1556 8.1556 8.3244 8.3244 8.4707 8.4707 8.5490 8.5490 8.7454 8.7454 8.8796 8.8796 9.4502 9.4502 9.5462 9.5462 9.5882 9.5882 9.6865 9.6865 9.9192 9.9192 12.0532 12.0532 12.9126 12.9126 14.6979 14.6979 17.0818 17.0818 17.6262 17.6262 k = 0.4412 0.2547 0.3962 ( 1748 PWs) bands (ev): 4.7453 4.7453 5.2872 5.2872 7.2433 7.2433 7.6833 7.6833 7.7398 7.7398 8.0199 8.0199 8.1709 8.1709 8.3329 8.3329 8.4768 8.4768 8.5473 8.5473 8.7472 8.7472 8.8849 8.8849 9.4469 9.4469 9.5429 9.5429 9.5883 9.5883 9.6889 9.6889 9.9152 9.9152 11.8884 11.8884 12.8032 12.8032 14.6648 14.6648 17.2488 17.2488 17.7802 17.7802 k = 0.4375 0.2526 0.4082 ( 1759 PWs) bands (ev): 4.7766 4.7766 5.3277 5.3277 7.2056 7.2056 7.6766 7.6766 7.7354 7.7354 8.0181 8.0181 8.1865 8.1865 8.3409 8.3409 8.4823 8.4823 8.5459 8.5459 8.7494 8.7494 8.8899 8.8899 9.4429 9.4429 9.5380 9.5380 9.5902 9.5902 9.6917 9.6917 9.9111 9.9111 11.7288 11.7288 12.6959 12.6959 14.6328 14.6328 17.4176 17.4176 17.9351 17.9351 k = 0.4338 0.2505 0.4203 ( 1753 PWs) bands (ev): 4.8095 4.8095 5.3702 5.3702 7.1657 7.1657 7.6564 7.6564 7.7451 7.7451 8.0167 8.0167 8.2025 8.2025 8.3488 8.3488 8.4870 8.4870 8.5454 8.5454 8.7521 8.7521 8.8948 8.8948 9.4383 9.4383 9.5322 9.5322 9.5937 9.5937 9.6951 9.6951 9.9070 9.9070 11.5750 11.5750 12.5908 12.5908 14.6020 14.6020 17.5881 17.5881 18.0904 18.0904 k = 0.4301 0.2483 0.4323 ( 1749 PWs) bands (ev): 4.8437 4.8437 5.4148 5.4148 7.1233 7.1233 7.6308 7.6308 7.7604 7.7604 8.0155 8.0155 8.2183 8.2183 8.3570 8.3570 8.4904 8.4904 8.5465 8.5465 8.7551 8.7551 8.8993 8.8993 9.4331 9.4331 9.5256 9.5256 9.5983 9.5983 9.6989 9.6989 9.9030 9.9030 11.4270 11.4270 12.4877 12.4877 14.5723 14.5723 17.7603 17.7603 18.2454 18.2454 k = 0.4265 0.2462 0.4443 ( 1750 PWs) bands (ev): 4.8794 4.8794 5.4613 5.4613 7.0782 7.0782 7.6033 7.6033 7.7781 7.7781 8.0145 8.0145 8.2331 8.2331 8.3658 8.3658 8.4916 8.4916 8.5499 8.5499 8.7582 8.7582 8.9033 8.9033 9.4274 9.4274 9.5187 9.5187 9.6039 9.6039 9.7031 9.7031 9.8991 9.8991 11.2854 11.2854 12.3869 12.3869 14.5439 14.5439 17.9342 17.9342 18.3976 18.3976 k = 0.4228 0.2441 0.4563 ( 1751 PWs) bands (ev): 4.9162 4.9162 5.5096 5.5096 7.0305 7.0305 7.5748 7.5748 7.7971 7.7971 8.0136 8.0136 8.2463 8.2463 8.3761 8.3761 8.4904 8.4904 8.5560 8.5560 8.7614 8.7614 8.9068 8.9068 9.4212 9.4212 9.5117 9.5117 9.6102 9.6102 9.7075 9.7075 9.8953 9.8953 11.1504 11.1504 12.2883 12.2883 14.5168 14.5168 18.1098 18.1098 18.5409 18.5409 k = 0.4191 0.2420 0.4683 ( 1749 PWs) bands (ev): 4.9542 4.9542 5.5596 5.5596 6.9800 6.9800 7.5460 7.5460 7.8172 7.8172 8.0131 8.0131 8.2573 8.2573 8.3884 8.3884 8.4873 8.4873 8.5645 8.5645 8.7645 8.7645 8.9097 8.9097 9.4148 9.4148 9.5047 9.5047 9.6170 9.6170 9.7122 9.7122 9.8919 9.8919 11.0224 11.0224 12.1921 12.1921 14.4909 14.4909 18.2869 18.2869 18.6553 18.6553 k = 0.4154 0.2399 0.4803 ( 1751 PWs) bands (ev): 4.9931 4.9931 5.6112 5.6112 6.9265 6.9265 7.5173 7.5173 7.8381 7.8381 8.0127 8.0127 8.2656 8.2656 8.4031 8.4031 8.4830 8.4830 8.5751 8.5751 8.7673 8.7673 8.9121 8.9121 9.4079 9.4079 9.4979 9.4979 9.6242 9.6242 9.7170 9.7170 9.8888 9.8888 10.9016 10.9016 12.0982 12.0982 14.4663 14.4663 18.4653 18.4653 18.6862 18.6862 k = 0.4118 0.2377 0.4923 ( 1751 PWs) bands (ev): 5.0328 5.0328 5.6642 5.6642 6.8702 6.8702 7.4889 7.4889 7.8596 7.8596 8.0126 8.0126 8.2711 8.2711 8.4193 8.4193 8.4787 8.4787 8.5872 8.5872 8.7698 8.7698 8.9138 8.9138 9.4009 9.4009 9.4915 9.4915 9.6316 9.6316 9.7219 9.7219 9.8862 9.8862 10.7883 10.7883 12.0069 12.0069 14.4430 14.4430 18.6042 18.6042 18.6496 18.6496 k = 0.4081 0.2356 0.5043 ( 1748 PWs) bands (ev): 5.0732 5.0732 5.7183 5.7183 6.8111 6.8111 7.4611 7.4611 7.8816 7.8816 8.0127 8.0127 8.2741 8.2741 8.4339 8.4339 8.4778 8.4778 8.6004 8.6004 8.7719 8.7719 8.9151 8.9151 9.3938 9.3938 9.4855 9.4855 9.6391 9.6391 9.7268 9.7268 9.8842 9.8842 10.6828 10.6828 11.9182 11.9182 14.4210 14.4210 18.4792 18.4792 18.8279 18.8279 k = 0.4044 0.2335 0.5163 ( 1748 PWs) bands (ev): 5.1139 5.1139 5.7733 5.7733 6.7494 6.7494 7.4342 7.4342 7.9039 7.9039 8.0131 8.0131 8.2749 8.2749 8.4397 8.4397 8.4872 8.4872 8.6145 8.6145 8.7735 8.7735 8.9158 8.9158 9.3865 9.3865 9.4801 9.4801 9.6465 9.6465 9.7316 9.7316 9.8829 9.8829 10.5853 10.5853 11.8323 11.8323 14.4002 14.4002 18.3360 18.3360 19.0102 19.0102 k = 0.4007 0.2314 0.5283 ( 1742 PWs) bands (ev): 5.1546 5.1546 5.8287 5.8287 6.6856 6.6856 7.4084 7.4084 7.9264 7.9264 8.0139 8.0139 8.2742 8.2742 8.4362 8.4362 8.5073 8.5073 8.6294 8.6294 8.7747 8.7747 8.9161 8.9161 9.3793 9.3793 9.4752 9.4752 9.6537 9.6537 9.7361 9.7361 9.8824 9.8824 10.4962 10.4962 11.7492 11.7492 14.3807 14.3807 18.1879 18.1879 19.1935 19.1935 k = 0.3971 0.2292 0.5403 ( 1750 PWs) bands (ev): 5.1950 5.1950 5.8839 5.8839 6.6203 6.6203 7.3839 7.3839 7.9487 7.9487 8.0150 8.0150 8.2721 8.2721 8.4284 8.4284 8.5320 8.5320 8.6448 8.6448 8.7752 8.7752 8.9159 8.9159 9.3720 9.3720 9.4710 9.4710 9.6604 9.6604 9.7403 9.7403 9.8828 9.8828 10.4154 10.4154 11.6692 11.6692 14.3624 14.3624 18.0388 18.0388 19.3772 19.3772 k = 0.3934 0.2271 0.5523 ( 1746 PWs) bands (ev): 5.2346 5.2346 5.9379 5.9379 6.5551 6.5551 7.3610 7.3610 7.9702 7.9702 8.0175 8.0175 8.2691 8.2691 8.4193 8.4193 8.5585 8.5585 8.6608 8.6608 8.7754 8.7754 8.9157 8.9157 9.3648 9.3648 9.4675 9.4675 9.6665 9.6665 9.7441 9.7441 9.8839 9.8839 10.3436 10.3436 11.5925 11.5925 14.3453 14.3453 17.8904 17.8904 19.5607 19.5607 k = 0.3897 0.2250 0.5643 ( 1744 PWs) bands (ev): 5.2726 5.2726 5.9887 5.9887 6.4923 6.4923 7.3397 7.3397 7.9888 7.9888 8.0228 8.0228 8.2655 8.2655 8.4094 8.4094 8.5855 8.5855 8.6773 8.6773 8.7754 8.7754 8.9157 8.9157 9.3577 9.3577 9.4648 9.4648 9.6719 9.6719 9.7472 9.7472 9.8854 9.8854 10.2810 10.2810 11.5191 11.5191 14.3294 14.3294 17.7434 17.7434 19.7428 19.7428 k = 0.3860 0.2229 0.5764 ( 1742 PWs) bands (ev): 5.3082 5.3082 6.0326 6.0326 6.4363 6.4363 7.3203 7.3203 8.0010 8.0010 8.0342 8.0342 8.2613 8.2613 8.3994 8.3994 8.6113 8.6113 8.6946 8.6946 8.7756 8.7756 8.9162 8.9162 9.3507 9.3507 9.4628 9.4628 9.6764 9.6764 9.7499 9.7499 9.8869 9.8869 10.2285 10.2285 11.4495 11.4495 14.3146 14.3146 17.5983 17.5983 19.9210 19.9210 k = 0.3824 0.2208 0.5884 ( 1742 PWs) bands (ev): 5.3399 5.3399 6.0628 6.0628 6.3954 6.3954 7.3030 7.3030 8.0067 8.0067 8.0516 8.0516 8.2566 8.2566 8.3895 8.3895 8.6346 8.6346 8.7128 8.7128 8.7763 8.7763 8.9178 8.9178 9.3439 9.3439 9.4615 9.4615 9.6798 9.6798 9.7517 9.7517 9.8872 9.8872 10.1867 10.1867 11.3837 11.3837 14.3010 14.3010 17.4553 17.4553 20.0903 20.0903 k = 0.3787 0.2186 0.6004 ( 1742 PWs) bands (ev): 5.3659 5.3659 6.0704 6.0704 6.3804 6.3804 7.2877 7.2877 8.0095 8.0095 8.0710 8.0710 8.2515 8.2515 8.3801 8.3801 8.6540 8.6540 8.7317 8.7317 8.7781 8.7781 8.9213 8.9213 9.3372 9.3372 9.4611 9.4611 9.6823 9.6823 9.7529 9.7529 9.8855 9.8855 10.1569 10.1569 11.3222 11.3222 14.2885 14.2885 17.3147 17.3147 20.2394 20.2394 k = 0.3750 0.2165 0.6124 ( 1738 PWs) bands (ev): 5.3835 5.3835 6.0539 6.0539 6.3953 6.3953 7.2747 7.2747 8.0113 8.0113 8.0901 8.0901 8.2461 8.2461 8.3717 8.3717 8.6684 8.6684 8.7503 8.7503 8.7817 8.7817 8.9280 8.9280 9.3309 9.3309 9.4615 9.4615 9.6838 9.6838 9.7534 9.7534 9.8807 9.8807 10.1396 10.1396 11.2652 11.2652 14.2771 14.2771 17.1765 17.1765 20.3470 20.3470 k = 0.6250-0.0722 0.4082 ( 1738 PWs) bands (ev): 5.3835 5.3835 6.0539 6.0539 6.3953 6.3953 7.2747 7.2747 8.0113 8.0113 8.0901 8.0901 8.2461 8.2461 8.3717 8.3717 8.6684 8.6684 8.7503 8.7503 8.7817 8.7817 8.9280 8.9280 9.3309 9.3309 9.4615 9.4615 9.6838 9.6838 9.7534 9.7534 9.8807 9.8807 10.1396 10.1396 11.2652 11.2652 14.2771 14.2771 17.1765 17.1765 20.3470 20.3470 k = 0.6188-0.0830 0.4082 ( 1744 PWs) bands (ev): 5.4003 5.4003 6.0120 6.0120 6.4445 6.4445 7.2548 7.2548 8.0138 8.0138 8.1216 8.1216 8.2362 8.2362 8.3588 8.3588 8.6835 8.6835 8.7836 8.7836 8.7936 8.7936 8.9431 8.9431 9.3203 9.3203 9.4628 9.4628 9.6848 9.6848 9.7538 9.7538 9.8710 9.8710 10.1214 10.1214 11.1731 11.1731 14.2592 14.2592 16.9456 16.9456 20.4837 20.4837 k = 0.6125-0.0938 0.4082 ( 1744 PWs) bands (ev): 5.4101 5.4101 5.9720 5.9720 6.4975 6.4975 7.2356 7.2356 8.0164 8.0164 8.1529 8.1529 8.2263 8.2263 8.3464 8.3464 8.6886 8.6886 8.8109 8.8109 8.8253 8.8253 8.9592 8.9592 9.3099 9.3099 9.4641 9.4641 9.6851 9.6851 9.7547 9.7547 9.8636 9.8636 10.1045 10.1045 11.0827 11.0827 14.2423 14.2423 16.7185 16.7185 20.6227 20.6227 k = 0.6062-0.1046 0.4082 ( 1748 PWs) bands (ev): 5.4143 5.4143 5.9339 5.9339 6.5522 6.5522 7.2173 7.2173 8.0193 8.0193 8.1828 8.1828 8.2169 8.2169 8.3349 8.3349 8.6868 8.6868 8.8333 8.8333 8.8723 8.8723 8.9764 8.9764 9.3000 9.3000 9.4655 9.4655 9.6846 9.6846 9.7560 9.7560 9.8579 9.8579 10.0887 10.0887 10.9939 10.9939 14.2264 14.2264 16.4959 16.4959 20.7641 20.7641 k = 0.6000-0.1155 0.4082 ( 1748 PWs) bands (ev): 5.4143 5.4143 5.8977 5.8977 6.6072 6.6072 7.1999 7.1999 8.0226 8.0226 8.1998 8.1998 8.2187 8.2187 8.3251 8.3251 8.6814 8.6814 8.8575 8.8575 8.9241 8.9241 8.9953 8.9953 9.2909 9.2909 9.4670 9.4670 9.6838 9.6838 9.7575 9.7575 9.8538 9.8538 10.0740 10.0740 10.9069 10.9069 14.2114 14.2114 16.2781 16.2781 20.9077 20.9077 k = 0.5938-0.1263 0.4082 ( 1748 PWs) bands (ev): 5.4112 5.4112 5.8636 5.8636 6.6609 6.6609 7.1836 7.1836 8.0262 8.0262 8.1927 8.1927 8.2407 8.2407 8.3192 8.3192 8.6741 8.6741 8.8823 8.8823 8.9749 8.9749 9.0203 9.0203 9.2830 9.2830 9.4686 9.4686 9.6827 9.6827 9.7592 9.7592 9.8508 9.8508 10.0604 10.0604 10.8216 10.8216 14.1972 14.1972 16.0658 16.0658 21.0537 21.0537 k = 0.5875-0.1371 0.4082 ( 1744 PWs) bands (ev): 5.4058 5.4058 5.8314 5.8314 6.7123 6.7123 7.1685 7.1685 8.0301 8.0301 8.1831 8.1831 8.2561 8.2561 8.3222 8.3222 8.6660 8.6660 8.9070 8.9070 9.0104 9.0104 9.0642 9.0642 9.2771 9.2771 9.4705 9.4705 9.6817 9.6817 9.7610 9.7610 9.8488 9.8488 10.0480 10.0480 10.7382 10.7382 14.1838 14.1838 15.8597 15.8597 21.2018 21.2018 k = 0.5813-0.1479 0.4082 ( 1740 PWs) bands (ev): 5.3989 5.3989 5.8014 5.8014 6.7603 6.7603 7.1550 7.1550 8.0344 8.0344 8.1735 8.1735 8.2585 8.2585 8.3381 8.3381 8.6578 8.6578 8.9311 8.9311 9.0324 9.0324 9.1228 9.1228 9.2747 9.2747 9.4731 9.4731 9.6807 9.6807 9.7627 9.7627 9.8475 9.8475 10.0366 10.0366 10.6567 10.6567 14.1709 14.1709 15.6604 15.6604 21.3522 21.3522 k = 0.5750-0.1588 0.4082 ( 1734 PWs) bands (ev): 5.3911 5.3911 5.7735 5.7735 6.8042 6.8042 7.1432 7.1432 8.0390 8.0390 8.1645 8.1645 8.2528 8.2528 8.3613 8.3613 8.6498 8.6498 8.9537 8.9537 9.0509 9.0509 9.1813 9.1813 9.2801 9.2801 9.4772 9.4772 9.6799 9.6799 9.7643 9.7643 9.8468 9.8468 10.0262 10.0262 10.5772 10.5772 14.1586 14.1586 15.4689 15.4689 21.5048 21.5048 k = 0.5687-0.1696 0.4082 ( 1738 PWs) bands (ev): 5.3828 5.3828 5.7476 5.7476 6.8432 6.8432 7.1334 7.1334 8.0438 8.0438 8.1558 8.1558 8.2440 8.2440 8.3864 8.3864 8.6424 8.6424 8.9740 8.9740 9.0680 9.0680 9.2236 9.2236 9.3048 9.3048 9.4841 9.4841 9.6792 9.6792 9.7658 9.7658 9.8464 9.8464 10.0169 10.0169 10.4998 10.4998 14.1465 14.1465 15.2860 15.2860 21.6594 21.6594 k = 0.5625-0.1804 0.4082 ( 1730 PWs) bands (ev): 5.3744 5.3744 5.7240 5.7240 6.8770 6.8770 7.1260 7.1260 8.0491 8.0491 8.1476 8.1476 8.2343 8.2343 8.4112 8.4112 8.6360 8.6360 8.9912 8.9912 9.0841 9.0841 9.2445 9.2445 9.3503 9.3503 9.4978 9.4978 9.6789 9.6789 9.7672 9.7672 9.8464 9.8464 10.0086 10.0086 10.4247 10.4247 14.1344 14.1344 15.1130 15.1130 21.8161 21.8161 k = 0.5563-0.1912 0.4082 ( 1744 PWs) bands (ev): 5.3661 5.3661 5.7025 5.7025 6.9050 6.9050 7.1212 7.1212 8.0545 8.0545 8.1397 8.1397 8.2240 8.2240 8.4345 8.4345 8.6306 8.6306 9.0047 9.0047 9.0982 9.0982 9.2594 9.2594 9.3926 9.3926 9.5254 9.5254 9.6791 9.6791 9.7684 9.7684 9.8466 9.8466 10.0011 10.0011 10.3520 10.3520 14.1219 14.1219 14.9512 14.9512 21.9747 21.9747 k = 0.5500-0.2021 0.4082 ( 1744 PWs) bands (ev): 5.3582 5.3582 5.6832 5.6832 6.9270 6.9270 7.1195 7.1195 8.0601 8.0601 8.1330 8.1330 8.2138 8.2138 8.4557 8.4557 8.6268 8.6268 9.0145 9.0145 9.1106 9.1106 9.2770 9.2770 9.4181 9.4181 9.5710 9.5710 9.6804 9.6804 9.7696 9.7696 9.8469 9.8469 9.9947 9.9947 10.2821 10.2821 14.1085 14.1085 14.8025 14.8025 22.1351 22.1351 k = 0.5437-0.2129 0.4082 ( 1744 PWs) bands (ev): 5.3509 5.3509 5.6661 5.6661 6.9432 6.9432 7.1208 7.1208 8.0658 8.0658 8.1271 8.1271 8.2037 8.2037 8.4741 8.4741 8.6247 8.6247 9.0208 9.0208 9.1209 9.1209 9.2989 9.2989 9.4304 9.4304 9.6238 9.6238 9.6858 9.6858 9.7712 9.7712 9.8474 9.8474 9.9891 9.9891 10.2155 10.2155 14.0935 14.0935 14.6690 14.6690 22.2970 22.2970 k = 0.5375-0.2237 0.4082 ( 1744 PWs) bands (ev): 5.3443 5.3443 5.6513 5.6513 6.9542 6.9542 7.1246 7.1246 8.0716 8.0716 8.1221 8.1221 8.1939 8.1939 8.4892 8.4892 8.6246 8.6246 9.0239 9.0239 9.1294 9.1294 9.3247 9.3247 9.4365 9.4365 9.6587 9.6587 9.7097 9.7097 9.7742 9.7742 9.8480 9.8480 9.9843 9.9843 10.1526 10.1526 14.0758 14.0758 14.5531 14.5531 22.4407 22.4407 k = 0.5312-0.2345 0.4082 ( 1744 PWs) bands (ev): 5.3386 5.3386 5.6388 5.6388 6.9610 6.9610 7.1299 7.1299 8.0772 8.0772 8.1181 8.1181 8.1846 8.1846 8.5009 8.5009 8.6263 8.6263 9.0247 9.0247 9.1364 9.1364 9.3530 9.3530 9.4398 9.4398 9.6675 9.6675 9.7480 9.7480 9.7858 9.7858 9.8487 9.8487 9.9800 9.9800 10.0945 10.0945 14.0545 14.0545 14.4574 14.4574 22.5290 22.5290 k = 0.5250-0.2454 0.4082 ( 1744 PWs) bands (ev): 5.3338 5.3338 5.6285 5.6285 6.9650 6.9650 7.1356 7.1356 8.0824 8.0824 8.1153 8.1153 8.1758 8.1758 8.5093 8.5093 8.6294 8.6294 9.0240 9.0240 9.1421 9.1421 9.3820 9.3820 9.4417 9.4417 9.6699 9.6699 9.7623 9.7623 9.8209 9.8209 9.8496 9.8496 9.9752 9.9752 10.0433 10.0433 14.0295 14.0295 14.3836 14.3836 22.6042 22.6042 k = 0.5188-0.2562 0.4082 ( 1740 PWs) bands (ev): 5.3300 5.3300 5.6205 5.6205 6.9671 6.9671 7.1410 7.1410 8.0868 8.0868 8.1141 8.1141 8.1679 8.1679 8.5150 8.5150 8.6332 8.6332 9.0225 9.0225 9.1466 9.1466 9.4095 9.4095 9.4428 9.4428 9.6710 9.6710 9.7654 9.7654 9.8507 9.8507 9.8592 9.8592 9.9652 9.9652 10.0053 10.0053 14.0027 14.0027 14.3314 14.3314 22.6646 22.6646 k = 0.5125-0.2670 0.4082 ( 1740 PWs) bands (ev): 5.3272 5.3272 5.6147 5.6147 6.9681 6.9681 7.1452 7.1452 8.0898 8.0898 8.1142 8.1142 8.1613 8.1613 8.5184 8.5184 8.6366 8.6366 9.0210 9.0210 9.1498 9.1498 9.4327 9.4327 9.4435 9.4435 9.6716 9.6716 9.7666 9.7666 9.8523 9.8523 9.8885 9.8885 9.9425 9.9425 9.9904 9.9904 13.9783 13.9783 14.2981 14.2981 22.7088 22.7089 k = 0.5062-0.2778 0.4082 ( 1736 PWs) bands (ev): 5.3256 5.3256 5.6114 5.6114 6.9685 6.9685 7.1479 7.1479 8.0915 8.0915 8.1150 8.1150 8.1566 8.1566 8.5203 8.5203 8.6391 8.6391 9.0199 9.0199 9.1518 9.1518 9.4436 9.4436 9.4488 9.4488 9.6721 9.6721 9.7672 9.7672 9.8543 9.8543 9.9061 9.9061 9.9206 9.9206 9.9877 9.9877 13.9613 13.9613 14.2801 14.2801 22.7358 22.7358 k = 0.5000-0.2887 0.4082 ( 1724 PWs) bands (ev): 5.3251 5.3251 5.6103 5.6103 6.9686 6.9686 7.1489 7.1489 8.0920 8.0920 8.1156 8.1156 8.1551 8.1551 8.5211 8.5211 8.6402 8.6402 9.0196 9.0196 9.1526 9.1526 9.4438 9.4438 9.4544 9.4544 9.6724 9.6724 9.7674 9.7674 9.8554 9.8554 9.9105 9.9105 9.9135 9.9135 9.9876 9.9876 13.9552 13.9552 14.2744 14.2744 22.7449 22.7449 Writing output data file AlCu3.save init_run : 0.16s CPU 0.26s WALL ( 1 calls) electrons : 90.09s CPU 91.98s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.01s CPU 0.02s WALL ( 1 calls) Called by electrons: c_bands : 90.08s CPU 91.97s 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 0.05s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.03s CPU 0.03s WALL ( 363 calls) cegterg : 82.30s CPU 83.88s WALL ( 544 calls) Called by sum_band: Called by *egterg: h_psi : 36.34s CPU 37.41s WALL ( 8873 calls) s_psi : 3.31s CPU 3.65s WALL ( 8873 calls) g_psi : 0.08s CPU 0.08s WALL ( 7966 calls) cdiaghg : 41.62s CPU 42.50s WALL ( 8329 calls) cegterg:over : 2.70s CPU 2.48s WALL ( 7966 calls) cegterg:upda : 1.84s CPU 1.70s WALL ( 7966 calls) cegterg:last : 1.04s CPU 1.07s WALL ( 1267 calls) cdiaghg:chol : 2.38s CPU 2.23s WALL ( 8329 calls) cdiaghg:inve : 1.26s CPU 1.31s WALL ( 8329 calls) cdiaghg:para : 2.43s CPU 2.54s WALL ( 16658 calls) Called by h_psi: h_psi:vloc : 29.14s CPU 30.13s WALL ( 8873 calls) h_psi:vnl : 7.11s CPU 7.21s WALL ( 8873 calls) add_vuspsi : 3.93s CPU 4.13s WALL ( 8873 calls) General routines calbec : 3.15s CPU 3.06s WALL ( 8873 calls) fft : 0.00s CPU 0.00s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 27.14s CPU 28.18s WALL ( 653188 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.13s CPU 0.11s WALL ( 726 calls) Parallel routines fft_scatter : 13.58s CPU 14.09s WALL ( 653211 calls) PWSCF : 1m40.98s CPU 1m53.55s WALL This run was terminated on: 18:38:42 24Dec2016 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=