Program PWSCF v.5.3.0 (svn rev. 11974) starts on 1Feb2017 at 9:28:56 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 72 processors R & G space division: proc/nbgrp/npool/nimage = 72 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: ./Zr3S4.save/ 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: 6* 6 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 36 36 10 1246 1246 180 Max 37 37 12 1251 1251 184 Sum 2653 2653 745 89937 89937 13107 bravais-lattice index = 14 lattice parameter (alat) = 13.8568 a.u. unit-cell volume = 1881.3638 (a.u.)^3 number of atoms/cell = 14 number of atomic types = 2 number of electrons = 72.00 number of Kohn-Sham states= 86 kinetic-energy cutoff = 50.0000 Ry charge density cutoff = 200.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 13.856789 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 S read from file: /users/gautes/Pseudo/S.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 95f1324244b600346090892298cb4451 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1151 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 Zr read from file: /users/gautes/Pseudo/Zr.rel-pbe-n-nc.UPF MD5 check sum: 453101d5cee66cf3691e2371f73c5d7d Pseudo is Norm-conserving + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1225 points, 4 beta functions with: l(1) = 1 l(2) = 1 l(3) = 2 l(4) = 2 atomic species valence mass pseudopotential S 6.00 32.06500 S( 1.00) Zr 4.00 91.22400 Zr( 1.00) 12 Sym. Ops., with inversion, found (10 have fractional translation) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [1,0,0] cryst. s( 2) = ( 1 0 0 ) f =( 0.0000000 ) ( 1 -1 0 ) ( 0.5000000 ) ( 1 0 -1 ) ( -0.5000000 ) cart. s( 2) = ( 1.0000000 -0.0000000 -0.0000000 ) f =( 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.2886751 ) ( 0.0000000 0.0000000 -1.0000000 ) ( -0.4082483 ) isym = 3 120 deg rotation - cryst. axis [0,0,1] cryst. s( 3) = ( -1 1 0 ) f =( -0.5000000 ) ( -1 0 0 ) ( 0.0000000 ) ( -1 0 1 ) ( 0.0000000 ) cart. s( 3) = ( -0.5000000 -0.8660254 0.0000000 ) f =( -0.5000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 4 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 4) = ( 0 -1 0 ) f =( 0.0000000 ) ( 1 -1 0 ) ( -0.5000000 ) ( 0 -1 1 ) ( 0.0000000 ) cart. s( 4) = ( -0.5000000 0.8660254 -0.0000000 ) f =( -0.2500000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( -0.4330127 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 5 180 deg rotation - cryst. axis [0,1,0] cryst. s( 5) = ( 0 -1 0 ) f =( 0.5000000 ) ( -1 0 0 ) ( 0.5000000 ) ( 0 0 -1 ) ( -0.5000000 ) cart. s( 5) = ( -0.5000000 -0.8660254 0.0000000 ) f =( 0.5000000 ) ( -0.8660254 0.5000000 -0.0000000 ) ( 0.2886751 ) ( 0.0000000 0.0000000 -1.0000000 ) ( -0.4082483 ) isym = 6 180 deg rotation - cryst. axis [1,1,0] cryst. s( 6) = ( -1 1 0 ) f =( 0.5000000 ) ( 0 1 0 ) ( 0.0000000 ) ( 0 1 -1 ) ( -0.5000000 ) cart. s( 6) = ( -0.5000000 0.8660254 -0.0000000 ) f =( 0.2500000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( -0.1443376 ) ( 0.0000000 0.0000000 -1.0000000 ) ( -0.4082483 ) isym = 7 inversion cryst. s( 7) = ( -1 0 0 ) f =( 0.5000000 ) ( 0 -1 0 ) ( 0.5000000 ) ( 0 0 -1 ) ( -0.5000000 ) cart. s( 7) = ( -1.0000000 0.0000000 0.0000000 ) f =( 0.5000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.2886751 ) ( 0.0000000 0.0000000 -1.0000000 ) ( -0.4082483 ) isym = 8 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 8) = ( -1 0 0 ) f =( -0.5000000 ) ( -1 1 0 ) ( 0.0000000 ) ( -1 0 1 ) ( 0.0000000 ) cart. s( 8) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.5000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 9 inv. 120 deg rotation - cryst. axis [0,0,1] cryst. s( 9) = ( 1 -1 0 ) f =( 0.0000000 ) ( 1 0 0 ) ( 0.5000000 ) ( 1 0 -1 ) ( -0.5000000 ) cart. s( 9) = ( 0.5000000 0.8660254 -0.0000000 ) f =( 0.0000000 ) ( -0.8660254 0.5000000 -0.0000000 ) ( 0.2886751 ) ( 0.0000000 0.0000000 -1.0000000 ) ( -0.4082483 ) isym = 10 inv. 120 deg rotation - cryst. axis [0,0,-1] cryst. s(10) = ( 0 1 0 ) f =( 0.5000000 ) ( -1 1 0 ) ( 0.0000000 ) ( 0 1 -1 ) ( -0.5000000 ) cart. s(10) = ( 0.5000000 -0.8660254 0.0000000 ) f =( 0.2500000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( -0.1443376 ) ( 0.0000000 0.0000000 -1.0000000 ) ( -0.4082483 ) 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 ) f =( 0.0000000 ) ( 0 -1 0 ) ( -0.5000000 ) ( 0 -1 1 ) ( 0.0000000 ) cart. s(12) = ( 0.5000000 -0.8660254 0.0000000 ) f =( -0.2500000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( -0.4330127 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) 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= 210 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0047619 k( 2) = ( 0.0161290 -0.0093121 0.0131693), wk = 0.0047619 k( 3) = ( 0.0322581 -0.0186242 0.0263386), wk = 0.0047619 k( 4) = ( 0.0483871 -0.0279363 0.0395079), wk = 0.0047619 k( 5) = ( 0.0645161 -0.0372484 0.0526772), wk = 0.0047619 k( 6) = ( 0.0806452 -0.0465605 0.0658465), wk = 0.0047619 k( 7) = ( 0.0967742 -0.0558726 0.0790158), wk = 0.0047619 k( 8) = ( 0.1129032 -0.0651847 0.0921851), wk = 0.0047619 k( 9) = ( 0.1290323 -0.0744968 0.1053544), wk = 0.0047619 k( 10) = ( 0.1451613 -0.0838089 0.1185237), wk = 0.0047619 k( 11) = ( 0.1612903 -0.0931210 0.1316930), wk = 0.0047619 k( 12) = ( 0.1774194 -0.1024331 0.1448623), wk = 0.0047619 k( 13) = ( 0.1935484 -0.1117452 0.1580316), wk = 0.0047619 k( 14) = ( 0.2096774 -0.1210573 0.1712009), wk = 0.0047619 k( 15) = ( 0.2258064 -0.1303694 0.1843702), wk = 0.0047619 k( 16) = ( 0.2419355 -0.1396815 0.1975395), wk = 0.0047619 k( 17) = ( 0.2580645 -0.1489936 0.2107088), wk = 0.0047619 k( 18) = ( 0.2741936 -0.1583057 0.2238781), wk = 0.0047619 k( 19) = ( 0.2903226 -0.1676178 0.2370474), wk = 0.0047619 k( 20) = ( 0.3064516 -0.1769299 0.2502167), wk = 0.0047619 k( 21) = ( 0.3225807 -0.1862420 0.2633860), wk = 0.0047619 k( 22) = ( 0.3387097 -0.1955541 0.2765553), wk = 0.0047619 k( 23) = ( 0.3548387 -0.2048662 0.2897246), wk = 0.0047619 k( 24) = ( 0.3709677 -0.2141783 0.3028939), wk = 0.0047619 k( 25) = ( 0.3870968 -0.2234904 0.3160632), wk = 0.0047619 k( 26) = ( 0.4032258 -0.2328025 0.3292325), wk = 0.0047619 k( 27) = ( 0.4193548 -0.2421146 0.3424018), wk = 0.0047619 k( 28) = ( 0.4354839 -0.2514267 0.3555711), wk = 0.0047619 k( 29) = ( 0.4516129 -0.2607388 0.3687404), wk = 0.0047619 k( 30) = ( 0.4677419 -0.2700509 0.3819097), wk = 0.0047619 k( 31) = ( 0.4838710 -0.2793630 0.3950790), wk = 0.0047619 k( 32) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0047619 k( 33) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0047619 k( 34) = ( 0.5000000 -0.2706329 0.4210060), wk = 0.0047619 k( 35) = ( 0.5000000 -0.2525907 0.4337638), wk = 0.0047619 k( 36) = ( 0.5000000 -0.2345485 0.4465216), wk = 0.0047619 k( 37) = ( 0.5000000 -0.2165064 0.4592793), wk = 0.0047619 k( 38) = ( 0.5000000 -0.1984642 0.4720371), wk = 0.0047619 k( 39) = ( 0.5000000 -0.1804220 0.4847948), wk = 0.0047619 k( 40) = ( 0.5000000 -0.1623798 0.4975526), wk = 0.0047619 k( 41) = ( 0.5000000 -0.1443376 0.5103104), wk = 0.0047619 k( 42) = ( 0.5000000 -0.1262954 0.5230681), wk = 0.0047619 k( 43) = ( 0.5000000 -0.1082532 0.5358259), wk = 0.0047619 k( 44) = ( 0.5000000 -0.0902110 0.5485836), wk = 0.0047619 k( 45) = ( 0.5000000 -0.0721688 0.5613414), wk = 0.0047619 k( 46) = ( 0.5000000 -0.0541266 0.5740992), wk = 0.0047619 k( 47) = ( 0.5000000 -0.0360844 0.5868569), wk = 0.0047619 k( 48) = ( 0.5000000 -0.0180422 0.5996147), wk = 0.0047619 k( 49) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0047619 k( 50) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0047619 k( 51) = ( 0.4886364 0.0196824 0.6123724), wk = 0.0047619 k( 52) = ( 0.4772727 0.0393648 0.6123724), wk = 0.0047619 k( 53) = ( 0.4659091 0.0590472 0.6123724), wk = 0.0047619 k( 54) = ( 0.4545455 0.0787296 0.6123724), wk = 0.0047619 k( 55) = ( 0.4431818 0.0984120 0.6123724), wk = 0.0047619 k( 56) = ( 0.4318182 0.1180944 0.6123724), wk = 0.0047619 k( 57) = ( 0.4204545 0.1377768 0.6123724), wk = 0.0047619 k( 58) = ( 0.4090909 0.1574592 0.6123724), wk = 0.0047619 k( 59) = ( 0.3977273 0.1771416 0.6123724), wk = 0.0047619 k( 60) = ( 0.3863636 0.1968239 0.6123724), wk = 0.0047619 k( 61) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0047619 k( 62) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0047619 k( 63) = ( 0.3636364 0.2099456 0.5938157), wk = 0.0047619 k( 64) = ( 0.3522727 0.2033848 0.5752589), wk = 0.0047619 k( 65) = ( 0.3409091 0.1968240 0.5567022), wk = 0.0047619 k( 66) = ( 0.3295455 0.1902632 0.5381455), wk = 0.0047619 k( 67) = ( 0.3181818 0.1837024 0.5195887), wk = 0.0047619 k( 68) = ( 0.3068182 0.1771416 0.5010320), wk = 0.0047619 k( 69) = ( 0.2954545 0.1705808 0.4824752), wk = 0.0047619 k( 70) = ( 0.2840909 0.1640200 0.4639185), wk = 0.0047619 k( 71) = ( 0.2727273 0.1574592 0.4453618), wk = 0.0047619 k( 72) = ( 0.2613636 0.1508984 0.4268050), wk = 0.0047619 k( 73) = ( 0.2500000 0.1443376 0.4082483), wk = 0.0047619 k( 74) = ( 0.2386364 0.1377768 0.3896916), wk = 0.0047619 k( 75) = ( 0.2272727 0.1312160 0.3711348), wk = 0.0047619 k( 76) = ( 0.2159091 0.1246552 0.3525781), wk = 0.0047619 k( 77) = ( 0.2045454 0.1180944 0.3340213), wk = 0.0047619 k( 78) = ( 0.1931818 0.1115336 0.3154646), wk = 0.0047619 k( 79) = ( 0.1818182 0.1049728 0.2969078), wk = 0.0047619 k( 80) = ( 0.1704546 0.0984120 0.2783511), wk = 0.0047619 k( 81) = ( 0.1590909 0.0918512 0.2597944), wk = 0.0047619 k( 82) = ( 0.1477273 0.0852904 0.2412376), wk = 0.0047619 k( 83) = ( 0.1363636 0.0787296 0.2226809), wk = 0.0047619 k( 84) = ( 0.1250000 0.0721688 0.2041241), wk = 0.0047619 k( 85) = ( 0.1136364 0.0656080 0.1855674), wk = 0.0047619 k( 86) = ( 0.1022727 0.0590472 0.1670107), wk = 0.0047619 k( 87) = ( 0.0909091 0.0524864 0.1484539), wk = 0.0047619 k( 88) = ( 0.0795455 0.0459256 0.1298972), wk = 0.0047619 k( 89) = ( 0.0681818 0.0393648 0.1113404), wk = 0.0047619 k( 90) = ( 0.0568182 0.0328040 0.0927837), wk = 0.0047619 k( 91) = ( 0.0454546 0.0262432 0.0742270), wk = 0.0047619 k( 92) = ( 0.0340909 0.0196824 0.0556702), wk = 0.0047619 k( 93) = ( 0.0227273 0.0131216 0.0371135), wk = 0.0047619 k( 94) = ( 0.0113636 0.0065608 0.0185567), wk = 0.0047619 k( 95) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0047619 k( 96) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0047619 k( 97) = ( 0.0185185 0.0106917 0.0075602), wk = 0.0047619 k( 98) = ( 0.0370370 0.0213833 0.0151203), wk = 0.0047619 k( 99) = ( 0.0555556 0.0320750 0.0226805), wk = 0.0047619 k( 100) = ( 0.0740741 0.0427667 0.0302406), wk = 0.0047619 k( 101) = ( 0.0925926 0.0534584 0.0378008), wk = 0.0047619 k( 102) = ( 0.1111111 0.0641500 0.0453609), wk = 0.0047619 k( 103) = ( 0.1296296 0.0748417 0.0529211), wk = 0.0047619 k( 104) = ( 0.1481482 0.0855334 0.0604812), wk = 0.0047619 k( 105) = ( 0.1666667 0.0962250 0.0680414), wk = 0.0047619 k( 106) = ( 0.1851852 0.1069167 0.0756015), wk = 0.0047619 k( 107) = ( 0.2037037 0.1176084 0.0831617), wk = 0.0047619 k( 108) = ( 0.2222222 0.1283001 0.0907218), wk = 0.0047619 k( 109) = ( 0.2407407 0.1389917 0.0982820), wk = 0.0047619 k( 110) = ( 0.2592593 0.1496834 0.1058421), wk = 0.0047619 k( 111) = ( 0.2777778 0.1603751 0.1134023), wk = 0.0047619 k( 112) = ( 0.2962963 0.1710667 0.1209625), wk = 0.0047619 k( 113) = ( 0.3148148 0.1817584 0.1285226), wk = 0.0047619 k( 114) = ( 0.3333333 0.1924501 0.1360828), wk = 0.0047619 k( 115) = ( 0.3518519 0.2031418 0.1436429), wk = 0.0047619 k( 116) = ( 0.3703704 0.2138334 0.1512031), wk = 0.0047619 k( 117) = ( 0.3888889 0.2245251 0.1587632), wk = 0.0047619 k( 118) = ( 0.4074074 0.2352168 0.1663234), wk = 0.0047619 k( 119) = ( 0.4259259 0.2459085 0.1738835), wk = 0.0047619 k( 120) = ( 0.4444444 0.2566001 0.1814437), wk = 0.0047619 k( 121) = ( 0.4629630 0.2672918 0.1890038), wk = 0.0047619 k( 122) = ( 0.4814815 0.2779835 0.1965640), wk = 0.0047619 k( 123) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0047619 k( 124) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0047619 k( 125) = ( 0.5065789 0.2696834 0.2148675), wk = 0.0047619 k( 126) = ( 0.5131579 0.2506916 0.2256109), wk = 0.0047619 k( 127) = ( 0.5197368 0.2316998 0.2363543), wk = 0.0047619 k( 128) = ( 0.5263158 0.2127080 0.2470977), wk = 0.0047619 k( 129) = ( 0.5328947 0.1937162 0.2578410), wk = 0.0047619 k( 130) = ( 0.5394737 0.1747244 0.2685844), wk = 0.0047619 k( 131) = ( 0.5460526 0.1557326 0.2793278), wk = 0.0047619 k( 132) = ( 0.5526316 0.1367409 0.2900712), wk = 0.0047619 k( 133) = ( 0.5592105 0.1177491 0.3008145), wk = 0.0047619 k( 134) = ( 0.5657895 0.0987573 0.3115579), wk = 0.0047619 k( 135) = ( 0.5723684 0.0797655 0.3223013), wk = 0.0047619 k( 136) = ( 0.5789474 0.0607737 0.3330447), wk = 0.0047619 k( 137) = ( 0.5855263 0.0417819 0.3437880), wk = 0.0047619 k( 138) = ( 0.5921053 0.0227901 0.3545314), wk = 0.0047619 k( 139) = ( 0.5986842 0.0037984 0.3652748), wk = 0.0047619 k( 140) = ( 0.6052632 -0.0151934 0.3760182), wk = 0.0047619 k( 141) = ( 0.6118421 -0.0341852 0.3867615), wk = 0.0047619 k( 142) = ( 0.6184211 -0.0531770 0.3975049), wk = 0.0047619 k( 143) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0047619 k( 144) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0047619 k( 145) = ( 0.6136364 -0.0656080 0.4268050), wk = 0.0047619 k( 146) = ( 0.6022727 -0.0590472 0.4453618), wk = 0.0047619 k( 147) = ( 0.5909091 -0.0524864 0.4639185), wk = 0.0047619 k( 148) = ( 0.5795455 -0.0459256 0.4824753), wk = 0.0047619 k( 149) = ( 0.5681818 -0.0393648 0.5010320), wk = 0.0047619 k( 150) = ( 0.5568182 -0.0328040 0.5195887), wk = 0.0047619 k( 151) = ( 0.5454545 -0.0262432 0.5381455), wk = 0.0047619 k( 152) = ( 0.5340909 -0.0196824 0.5567022), wk = 0.0047619 k( 153) = ( 0.5227273 -0.0131216 0.5752590), wk = 0.0047619 k( 154) = ( 0.5113636 -0.0065608 0.5938157), wk = 0.0047619 k( 155) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0047619 k( 156) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0047619 k( 157) = ( 0.5000000 0.0131216 0.5938157), wk = 0.0047619 k( 158) = ( 0.5000000 0.0262432 0.5752590), wk = 0.0047619 k( 159) = ( 0.5000000 0.0393648 0.5567022), wk = 0.0047619 k( 160) = ( 0.5000000 0.0524864 0.5381455), wk = 0.0047619 k( 161) = ( 0.5000000 0.0656080 0.5195887), wk = 0.0047619 k( 162) = ( 0.5000000 0.0787296 0.5010320), wk = 0.0047619 k( 163) = ( 0.5000000 0.0918512 0.4824753), wk = 0.0047619 k( 164) = ( 0.5000000 0.1049728 0.4639185), wk = 0.0047619 k( 165) = ( 0.5000000 0.1180944 0.4453618), wk = 0.0047619 k( 166) = ( 0.5000000 0.1312160 0.4268050), wk = 0.0047619 k( 167) = ( 0.5000000 0.1443376 0.4082483), wk = 0.0047619 k( 168) = ( 0.5000000 0.1574592 0.3896915), wk = 0.0047619 k( 169) = ( 0.5000000 0.1705808 0.3711348), wk = 0.0047619 k( 170) = ( 0.5000000 0.1837024 0.3525781), wk = 0.0047619 k( 171) = ( 0.5000000 0.1968240 0.3340213), wk = 0.0047619 k( 172) = ( 0.5000000 0.2099456 0.3154646), wk = 0.0047619 k( 173) = ( 0.5000000 0.2230672 0.2969078), wk = 0.0047619 k( 174) = ( 0.5000000 0.2361887 0.2783511), wk = 0.0047619 k( 175) = ( 0.5000000 0.2493103 0.2597944), wk = 0.0047619 k( 176) = ( 0.5000000 0.2624319 0.2412376), wk = 0.0047619 k( 177) = ( 0.5000000 0.2755535 0.2226809), wk = 0.0047619 k( 178) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0047619 k( 179) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0047619 k( 180) = ( 0.4934211 0.2848768 0.2256109), wk = 0.0047619 k( 181) = ( 0.4868421 0.2810784 0.2470976), wk = 0.0047619 k( 182) = ( 0.4802632 0.2772801 0.2685844), wk = 0.0047619 k( 183) = ( 0.4736842 0.2734817 0.2900712), wk = 0.0047619 k( 184) = ( 0.4671053 0.2696833 0.3115579), wk = 0.0047619 k( 185) = ( 0.4605263 0.2658850 0.3330447), wk = 0.0047619 k( 186) = ( 0.4539474 0.2620866 0.3545314), wk = 0.0047619 k( 187) = ( 0.4473684 0.2582883 0.3760182), wk = 0.0047619 k( 188) = ( 0.4407895 0.2544899 0.3975049), wk = 0.0047619 k( 189) = ( 0.4342105 0.2506916 0.4189917), wk = 0.0047619 k( 190) = ( 0.4276316 0.2468932 0.4404784), wk = 0.0047619 k( 191) = ( 0.4210526 0.2430948 0.4619652), wk = 0.0047619 k( 192) = ( 0.4144737 0.2392965 0.4834519), wk = 0.0047619 k( 193) = ( 0.4078947 0.2354981 0.5049387), wk = 0.0047619 k( 194) = ( 0.4013158 0.2316998 0.5264254), wk = 0.0047619 k( 195) = ( 0.3947368 0.2279014 0.5479122), wk = 0.0047619 k( 196) = ( 0.3881579 0.2241031 0.5693989), wk = 0.0047619 k( 197) = ( 0.3815789 0.2203047 0.5908857), wk = 0.0047619 k( 198) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0047619 k( 199) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0047619 k( 200) = ( 0.6136364 -0.0918512 0.4082483), wk = 0.0047619 k( 201) = ( 0.6022727 -0.1115336 0.4082483), wk = 0.0047619 k( 202) = ( 0.5909091 -0.1312160 0.4082483), wk = 0.0047619 k( 203) = ( 0.5795455 -0.1508984 0.4082483), wk = 0.0047619 k( 204) = ( 0.5681818 -0.1705808 0.4082483), wk = 0.0047619 k( 205) = ( 0.5568182 -0.1902632 0.4082483), wk = 0.0047619 k( 206) = ( 0.5454545 -0.2099456 0.4082483), wk = 0.0047619 k( 207) = ( 0.5340909 -0.2296279 0.4082483), wk = 0.0047619 k( 208) = ( 0.5227273 -0.2493103 0.4082483), wk = 0.0047619 k( 209) = ( 0.5113636 -0.2689927 0.4082483), wk = 0.0047619 k( 210) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0047619 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0047619 k( 2) = ( 0.0161290 0.0000000 0.0161290), wk = 0.0047619 k( 3) = ( 0.0322581 0.0000000 0.0322581), wk = 0.0047619 k( 4) = ( 0.0483871 0.0000000 0.0483871), wk = 0.0047619 k( 5) = ( 0.0645161 0.0000000 0.0645161), wk = 0.0047619 k( 6) = ( 0.0806452 0.0000000 0.0806452), wk = 0.0047619 k( 7) = ( 0.0967742 0.0000000 0.0967742), wk = 0.0047619 k( 8) = ( 0.1129032 0.0000000 0.1129032), wk = 0.0047619 k( 9) = ( 0.1290323 0.0000000 0.1290323), wk = 0.0047619 k( 10) = ( 0.1451613 0.0000000 0.1451613), wk = 0.0047619 k( 11) = ( 0.1612903 0.0000000 0.1612903), wk = 0.0047619 k( 12) = ( 0.1774194 0.0000000 0.1774194), wk = 0.0047619 k( 13) = ( 0.1935484 0.0000000 0.1935484), wk = 0.0047619 k( 14) = ( 0.2096774 0.0000000 0.2096774), wk = 0.0047619 k( 15) = ( 0.2258064 0.0000000 0.2258065), wk = 0.0047619 k( 16) = ( 0.2419355 0.0000000 0.2419355), wk = 0.0047619 k( 17) = ( 0.2580645 0.0000000 0.2580645), wk = 0.0047619 k( 18) = ( 0.2741936 0.0000000 0.2741936), wk = 0.0047619 k( 19) = ( 0.2903226 0.0000000 0.2903226), wk = 0.0047619 k( 20) = ( 0.3064516 0.0000000 0.3064516), wk = 0.0047619 k( 21) = ( 0.3225807 0.0000000 0.3225807), wk = 0.0047619 k( 22) = ( 0.3387097 0.0000000 0.3387097), wk = 0.0047619 k( 23) = ( 0.3548387 0.0000000 0.3548387), wk = 0.0047619 k( 24) = ( 0.3709677 0.0000000 0.3709677), wk = 0.0047619 k( 25) = ( 0.3870968 0.0000000 0.3870968), wk = 0.0047619 k( 26) = ( 0.4032258 0.0000000 0.4032258), wk = 0.0047619 k( 27) = ( 0.4193548 0.0000000 0.4193548), wk = 0.0047619 k( 28) = ( 0.4354839 0.0000000 0.4354839), wk = 0.0047619 k( 29) = ( 0.4516129 0.0000000 0.4516129), wk = 0.0047619 k( 30) = ( 0.4677419 0.0000000 0.4677419), wk = 0.0047619 k( 31) = ( 0.4838710 0.0000000 0.4838710), wk = 0.0047619 k( 32) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0047619 k( 33) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0047619 k( 34) = ( 0.5000000 0.0156250 0.5156250), wk = 0.0047619 k( 35) = ( 0.5000000 0.0312500 0.5312500), wk = 0.0047619 k( 36) = ( 0.5000000 0.0468750 0.5468750), wk = 0.0047619 k( 37) = ( 0.5000000 0.0625000 0.5625000), wk = 0.0047619 k( 38) = ( 0.5000000 0.0781250 0.5781250), wk = 0.0047619 k( 39) = ( 0.5000000 0.0937500 0.5937500), wk = 0.0047619 k( 40) = ( 0.5000000 0.1093750 0.6093750), wk = 0.0047619 k( 41) = ( 0.5000000 0.1250000 0.6250000), wk = 0.0047619 k( 42) = ( 0.5000000 0.1406250 0.6406250), wk = 0.0047619 k( 43) = ( 0.5000000 0.1562500 0.6562500), wk = 0.0047619 k( 44) = ( 0.5000000 0.1718750 0.6718750), wk = 0.0047619 k( 45) = ( 0.5000000 0.1875000 0.6875000), wk = 0.0047619 k( 46) = ( 0.5000000 0.2031250 0.7031250), wk = 0.0047619 k( 47) = ( 0.5000000 0.2187500 0.7187500), wk = 0.0047619 k( 48) = ( 0.5000000 0.2343750 0.7343750), wk = 0.0047619 k( 49) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0047619 k( 50) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0047619 k( 51) = ( 0.4886364 0.2613636 0.7500000), wk = 0.0047619 k( 52) = ( 0.4772727 0.2727273 0.7500000), wk = 0.0047619 k( 53) = ( 0.4659091 0.2840909 0.7500000), wk = 0.0047619 k( 54) = ( 0.4545455 0.2954546 0.7500000), wk = 0.0047619 k( 55) = ( 0.4431818 0.3068182 0.7500000), wk = 0.0047619 k( 56) = ( 0.4318182 0.3181818 0.7500000), wk = 0.0047619 k( 57) = ( 0.4204545 0.3295455 0.7500000), wk = 0.0047619 k( 58) = ( 0.4090909 0.3409091 0.7500000), wk = 0.0047619 k( 59) = ( 0.3977273 0.3522727 0.7500000), wk = 0.0047619 k( 60) = ( 0.3863636 0.3636364 0.7500000), wk = 0.0047619 k( 61) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0047619 k( 62) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0047619 k( 63) = ( 0.3636364 0.3636364 0.7272727), wk = 0.0047619 k( 64) = ( 0.3522727 0.3522727 0.7045455), wk = 0.0047619 k( 65) = ( 0.3409091 0.3409091 0.6818182), wk = 0.0047619 k( 66) = ( 0.3295455 0.3295455 0.6590909), wk = 0.0047619 k( 67) = ( 0.3181818 0.3181818 0.6363636), wk = 0.0047619 k( 68) = ( 0.3068182 0.3068182 0.6136364), wk = 0.0047619 k( 69) = ( 0.2954545 0.2954545 0.5909091), wk = 0.0047619 k( 70) = ( 0.2840909 0.2840909 0.5681818), wk = 0.0047619 k( 71) = ( 0.2727273 0.2727273 0.5454545), wk = 0.0047619 k( 72) = ( 0.2613636 0.2613636 0.5227273), wk = 0.0047619 k( 73) = ( 0.2500000 0.2500000 0.5000000), wk = 0.0047619 k( 74) = ( 0.2386364 0.2386364 0.4772727), wk = 0.0047619 k( 75) = ( 0.2272727 0.2272727 0.4545455), wk = 0.0047619 k( 76) = ( 0.2159091 0.2159091 0.4318182), wk = 0.0047619 k( 77) = ( 0.2045454 0.2045454 0.4090909), wk = 0.0047619 k( 78) = ( 0.1931818 0.1931818 0.3863636), wk = 0.0047619 k( 79) = ( 0.1818182 0.1818182 0.3636364), wk = 0.0047619 k( 80) = ( 0.1704546 0.1704546 0.3409091), wk = 0.0047619 k( 81) = ( 0.1590909 0.1590909 0.3181818), wk = 0.0047619 k( 82) = ( 0.1477273 0.1477273 0.2954545), wk = 0.0047619 k( 83) = ( 0.1363636 0.1363636 0.2727273), wk = 0.0047619 k( 84) = ( 0.1250000 0.1250000 0.2500000), wk = 0.0047619 k( 85) = ( 0.1136364 0.1136364 0.2272727), wk = 0.0047619 k( 86) = ( 0.1022727 0.1022727 0.2045454), wk = 0.0047619 k( 87) = ( 0.0909091 0.0909091 0.1818182), wk = 0.0047619 k( 88) = ( 0.0795455 0.0795455 0.1590909), wk = 0.0047619 k( 89) = ( 0.0681818 0.0681818 0.1363636), wk = 0.0047619 k( 90) = ( 0.0568182 0.0568182 0.1136364), wk = 0.0047619 k( 91) = ( 0.0454546 0.0454546 0.0909091), wk = 0.0047619 k( 92) = ( 0.0340909 0.0340909 0.0681818), wk = 0.0047619 k( 93) = ( 0.0227273 0.0227273 0.0454546), wk = 0.0047619 k( 94) = ( 0.0113636 0.0113636 0.0227273), wk = 0.0047619 k( 95) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0047619 k( 96) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0047619 k( 97) = ( 0.0185185 0.0185185 0.0185185), wk = 0.0047619 k( 98) = ( 0.0370370 0.0370370 0.0370370), wk = 0.0047619 k( 99) = ( 0.0555556 0.0555556 0.0555556), wk = 0.0047619 k( 100) = ( 0.0740741 0.0740741 0.0740741), wk = 0.0047619 k( 101) = ( 0.0925926 0.0925926 0.0925926), wk = 0.0047619 k( 102) = ( 0.1111111 0.1111111 0.1111111), wk = 0.0047619 k( 103) = ( 0.1296296 0.1296296 0.1296296), wk = 0.0047619 k( 104) = ( 0.1481482 0.1481482 0.1481482), wk = 0.0047619 k( 105) = ( 0.1666667 0.1666667 0.1666667), wk = 0.0047619 k( 106) = ( 0.1851852 0.1851852 0.1851852), wk = 0.0047619 k( 107) = ( 0.2037037 0.2037037 0.2037037), wk = 0.0047619 k( 108) = ( 0.2222222 0.2222222 0.2222222), wk = 0.0047619 k( 109) = ( 0.2407407 0.2407407 0.2407407), wk = 0.0047619 k( 110) = ( 0.2592593 0.2592593 0.2592593), wk = 0.0047619 k( 111) = ( 0.2777778 0.2777778 0.2777778), wk = 0.0047619 k( 112) = ( 0.2962963 0.2962963 0.2962963), wk = 0.0047619 k( 113) = ( 0.3148148 0.3148148 0.3148148), wk = 0.0047619 k( 114) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0047619 k( 115) = ( 0.3518519 0.3518519 0.3518519), wk = 0.0047619 k( 116) = ( 0.3703704 0.3703704 0.3703704), wk = 0.0047619 k( 117) = ( 0.3888889 0.3888889 0.3888889), wk = 0.0047619 k( 118) = ( 0.4074074 0.4074074 0.4074074), wk = 0.0047619 k( 119) = ( 0.4259259 0.4259259 0.4259259), wk = 0.0047619 k( 120) = ( 0.4444444 0.4444444 0.4444444), wk = 0.0047619 k( 121) = ( 0.4629630 0.4629630 0.4629630), wk = 0.0047619 k( 122) = ( 0.4814815 0.4814815 0.4814815), wk = 0.0047619 k( 123) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0047619 k( 124) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0047619 k( 125) = ( 0.5065789 0.4868421 0.5065789), wk = 0.0047619 k( 126) = ( 0.5131579 0.4736842 0.5131579), wk = 0.0047619 k( 127) = ( 0.5197368 0.4605263 0.5197368), wk = 0.0047619 k( 128) = ( 0.5263158 0.4473684 0.5263158), wk = 0.0047619 k( 129) = ( 0.5328947 0.4342105 0.5328947), wk = 0.0047619 k( 130) = ( 0.5394737 0.4210526 0.5394737), wk = 0.0047619 k( 131) = ( 0.5460526 0.4078947 0.5460526), wk = 0.0047619 k( 132) = ( 0.5526316 0.3947368 0.5526316), wk = 0.0047619 k( 133) = ( 0.5592105 0.3815789 0.5592105), wk = 0.0047619 k( 134) = ( 0.5657895 0.3684211 0.5657895), wk = 0.0047619 k( 135) = ( 0.5723684 0.3552632 0.5723684), wk = 0.0047619 k( 136) = ( 0.5789474 0.3421053 0.5789474), wk = 0.0047619 k( 137) = ( 0.5855263 0.3289474 0.5855263), wk = 0.0047619 k( 138) = ( 0.5921053 0.3157895 0.5921053), wk = 0.0047619 k( 139) = ( 0.5986842 0.3026316 0.5986842), wk = 0.0047619 k( 140) = ( 0.6052632 0.2894737 0.6052632), wk = 0.0047619 k( 141) = ( 0.6118421 0.2763158 0.6118421), wk = 0.0047619 k( 142) = ( 0.6184211 0.2631579 0.6184211), wk = 0.0047619 k( 143) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0047619 k( 144) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0047619 k( 145) = ( 0.6136364 0.2500000 0.6363636), wk = 0.0047619 k( 146) = ( 0.6022727 0.2500000 0.6477273), wk = 0.0047619 k( 147) = ( 0.5909091 0.2500000 0.6590909), wk = 0.0047619 k( 148) = ( 0.5795455 0.2500000 0.6704545), wk = 0.0047619 k( 149) = ( 0.5681818 0.2500000 0.6818182), wk = 0.0047619 k( 150) = ( 0.5568182 0.2500000 0.6931818), wk = 0.0047619 k( 151) = ( 0.5454545 0.2500000 0.7045455), wk = 0.0047619 k( 152) = ( 0.5340909 0.2500000 0.7159091), wk = 0.0047619 k( 153) = ( 0.5227273 0.2500000 0.7272727), wk = 0.0047619 k( 154) = ( 0.5113636 0.2500000 0.7386364), wk = 0.0047619 k( 155) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0047619 k( 156) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0047619 k( 157) = ( 0.5000000 0.2613636 0.7386364), wk = 0.0047619 k( 158) = ( 0.5000000 0.2727273 0.7272727), wk = 0.0047619 k( 159) = ( 0.5000000 0.2840909 0.7159091), wk = 0.0047619 k( 160) = ( 0.5000000 0.2954546 0.7045455), wk = 0.0047619 k( 161) = ( 0.5000000 0.3068182 0.6931818), wk = 0.0047619 k( 162) = ( 0.5000000 0.3181818 0.6818182), wk = 0.0047619 k( 163) = ( 0.5000000 0.3295455 0.6704545), wk = 0.0047619 k( 164) = ( 0.5000000 0.3409091 0.6590909), wk = 0.0047619 k( 165) = ( 0.5000000 0.3522727 0.6477273), wk = 0.0047619 k( 166) = ( 0.5000000 0.3636364 0.6363636), wk = 0.0047619 k( 167) = ( 0.5000000 0.3750000 0.6250000), wk = 0.0047619 k( 168) = ( 0.5000000 0.3863636 0.6136364), wk = 0.0047619 k( 169) = ( 0.5000000 0.3977273 0.6022727), wk = 0.0047619 k( 170) = ( 0.5000000 0.4090909 0.5909091), wk = 0.0047619 k( 171) = ( 0.5000000 0.4204545 0.5795455), wk = 0.0047619 k( 172) = ( 0.5000000 0.4318182 0.5681818), wk = 0.0047619 k( 173) = ( 0.5000000 0.4431818 0.5568182), wk = 0.0047619 k( 174) = ( 0.5000000 0.4545455 0.5454545), wk = 0.0047619 k( 175) = ( 0.5000000 0.4659091 0.5340909), wk = 0.0047619 k( 176) = ( 0.5000000 0.4772727 0.5227273), wk = 0.0047619 k( 177) = ( 0.5000000 0.4886364 0.5113636), wk = 0.0047619 k( 178) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0047619 k( 179) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0047619 k( 180) = ( 0.4934211 0.4934210 0.5131579), wk = 0.0047619 k( 181) = ( 0.4868421 0.4868421 0.5263158), wk = 0.0047619 k( 182) = ( 0.4802632 0.4802632 0.5394737), wk = 0.0047619 k( 183) = ( 0.4736842 0.4736842 0.5526316), wk = 0.0047619 k( 184) = ( 0.4671053 0.4671053 0.5657895), wk = 0.0047619 k( 185) = ( 0.4605263 0.4605263 0.5789474), wk = 0.0047619 k( 186) = ( 0.4539474 0.4539474 0.5921053), wk = 0.0047619 k( 187) = ( 0.4473684 0.4473684 0.6052632), wk = 0.0047619 k( 188) = ( 0.4407895 0.4407895 0.6184211), wk = 0.0047619 k( 189) = ( 0.4342105 0.4342105 0.6315789), wk = 0.0047619 k( 190) = ( 0.4276316 0.4276316 0.6447368), wk = 0.0047619 k( 191) = ( 0.4210526 0.4210526 0.6578947), wk = 0.0047619 k( 192) = ( 0.4144737 0.4144737 0.6710526), wk = 0.0047619 k( 193) = ( 0.4078947 0.4078947 0.6842105), wk = 0.0047619 k( 194) = ( 0.4013158 0.4013158 0.6973684), wk = 0.0047619 k( 195) = ( 0.3947368 0.3947368 0.7105263), wk = 0.0047619 k( 196) = ( 0.3881579 0.3881579 0.7236842), wk = 0.0047619 k( 197) = ( 0.3815789 0.3815789 0.7368421), wk = 0.0047619 k( 198) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0047619 k( 199) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0047619 k( 200) = ( 0.6136364 0.2272727 0.6136364), wk = 0.0047619 k( 201) = ( 0.6022727 0.2045455 0.6022727), wk = 0.0047619 k( 202) = ( 0.5909091 0.1818182 0.5909091), wk = 0.0047619 k( 203) = ( 0.5795455 0.1590909 0.5795455), wk = 0.0047619 k( 204) = ( 0.5681818 0.1363636 0.5681818), wk = 0.0047619 k( 205) = ( 0.5568182 0.1136364 0.5568182), wk = 0.0047619 k( 206) = ( 0.5454545 0.0909091 0.5454545), wk = 0.0047619 k( 207) = ( 0.5340909 0.0681818 0.5340909), wk = 0.0047619 k( 208) = ( 0.5227273 0.0454546 0.5227273), wk = 0.0047619 k( 209) = ( 0.5113636 0.0227273 0.5113636), wk = 0.0047619 k( 210) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0047619 Dense grid: 89937 G-vectors FFT dimensions: ( 64, 64, 64) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.41 Mb ( 310, 86) NL pseudopotentials 0.87 Mb ( 155, 368) Each V/rho on FFT grid 0.06 Mb ( 4096) Each G-vector array 0.01 Mb ( 1251) G-vector shells 0.00 Mb ( 457) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.63 Mb ( 310, 344) Each subspace H/S matrix 0.05 Mb ( 57, 57) Each matrix 0.97 Mb ( 368, 2, 86) The potential is recalculated from file : ./Zr3S4.save/charge-density.dat Starting wfc are 172 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 7.0 secs Computing kpt #: 2 total cpu time spent up to now is 12.9 secs Computing kpt #: 3 total cpu time spent up to now is 19.1 secs Computing kpt #: 4 total cpu time spent up to now is 25.2 secs Computing kpt #: 5 total cpu time spent up to now is 31.0 secs Computing kpt #: 6 total cpu time spent up to now is 36.3 secs Computing kpt #: 7 total cpu time spent up to now is 41.2 secs Computing kpt #: 8 total cpu time spent up to now is 46.5 secs Computing kpt #: 9 total cpu time spent up to now is 51.8 secs Computing kpt #: 10 total cpu time spent up to now is 57.1 secs Computing kpt #: 11 total cpu time spent up to now is 62.5 secs Computing kpt #: 12 total cpu time spent up to now is 68.7 secs Computing kpt #: 13 total cpu time spent up to now is 76.4 secs Computing kpt #: 14 total cpu time spent up to now is 83.6 secs Computing kpt #: 15 total cpu time spent up to now is 88.3 secs Computing kpt #: 16 total cpu time spent up to now is 93.1 secs Computing kpt #: 17 total cpu time spent up to now is 97.7 secs Computing kpt #: 18 total cpu time spent up to now is 102.5 secs Computing kpt #: 19 total cpu time spent up to now is 110.6 secs Computing kpt #: 20 total cpu time spent up to now is 118.2 secs Computing kpt #: 21 total cpu time spent up to now is 125.4 secs Computing kpt #: 22 total cpu time spent up to now is 129.9 secs Computing kpt #: 23 total cpu time spent up to now is 137.5 secs Computing kpt #: 24 total cpu time spent up to now is 144.7 secs Computing kpt #: 25 total cpu time spent up to now is 153.4 secs Computing kpt #: 26 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 164.2 secs Computing kpt #: 27 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 173.8 secs Computing kpt #: 28 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 184.1 secs Computing kpt #: 29 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 194.6 secs Computing kpt #: 30 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 204.8 secs Computing kpt #: 31 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 215.3 secs Computing kpt #: 32 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 225.1 secs Computing kpt #: 33 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 235.3 secs Computing kpt #: 34 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 246.5 secs Computing kpt #: 35 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 257.3 secs Computing kpt #: 36 total cpu time spent up to now is 267.7 secs Computing kpt #: 37 total cpu time spent up to now is 275.3 secs Computing kpt #: 38 total cpu time spent up to now is 283.4 secs Computing kpt #: 39 total cpu time spent up to now is 291.8 secs Computing kpt #: 40 total cpu time spent up to now is 300.0 secs Computing kpt #: 41 total cpu time spent up to now is 308.8 secs Computing kpt #: 42 total cpu time spent up to now is 317.4 secs Computing kpt #: 43 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 328.2 secs Computing kpt #: 44 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 338.7 secs Computing kpt #: 45 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 349.0 secs Computing kpt #: 46 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 359.9 secs Computing kpt #: 47 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 370.2 secs Computing kpt #: 48 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 381.8 secs Computing kpt #: 49 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 392.7 secs Computing kpt #: 50 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 402.9 secs Computing kpt #: 51 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 412.5 secs Computing kpt #: 52 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 423.2 secs Computing kpt #: 53 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 433.8 secs Computing kpt #: 54 total cpu time spent up to now is 440.9 secs Computing kpt #: 55 total cpu time spent up to now is 447.5 secs Computing kpt #: 56 total cpu time spent up to now is 453.2 secs Computing kpt #: 57 total cpu time spent up to now is 458.9 secs Computing kpt #: 58 total cpu time spent up to now is 463.8 secs Computing kpt #: 59 total cpu time spent up to now is 468.3 secs Computing kpt #: 60 total cpu time spent up to now is 473.1 secs Computing kpt #: 61 total cpu time spent up to now is 477.7 secs Computing kpt #: 62 total cpu time spent up to now is 482.1 secs Computing kpt #: 63 total cpu time spent up to now is 486.4 secs Computing kpt #: 64 total cpu time spent up to now is 490.8 secs Computing kpt #: 65 total cpu time spent up to now is 495.0 secs Computing kpt #: 66 total cpu time spent up to now is 500.0 secs Computing kpt #: 67 total cpu time spent up to now is 504.8 secs Computing kpt #: 68 total cpu time spent up to now is 510.0 secs Computing kpt #: 69 total cpu time spent up to now is 515.9 secs Computing kpt #: 70 total cpu time spent up to now is 522.8 secs Computing kpt #: 71 total cpu time spent up to now is 530.2 secs Computing kpt #: 72 total cpu time spent up to now is 537.2 secs Computing kpt #: 73 total cpu time spent up to now is 546.8 secs Computing kpt #: 74 total cpu time spent up to now is 554.6 secs Computing kpt #: 75 total cpu time spent up to now is 560.5 secs Computing kpt #: 76 total cpu time spent up to now is 566.8 secs Computing kpt #: 77 total cpu time spent up to now is 572.7 secs Computing kpt #: 78 total cpu time spent up to now is 578.5 secs Computing kpt #: 79 total cpu time spent up to now is 585.4 secs Computing kpt #: 80 total cpu time spent up to now is 590.8 secs Computing kpt #: 81 total cpu time spent up to now is 596.8 secs Computing kpt #: 82 total cpu time spent up to now is 602.2 secs Computing kpt #: 83 total cpu time spent up to now is 609.9 secs Computing kpt #: 84 total cpu time spent up to now is 615.7 secs Computing kpt #: 85 total cpu time spent up to now is 620.6 secs Computing kpt #: 86 total cpu time spent up to now is 625.4 secs Computing kpt #: 87 total cpu time spent up to now is 630.2 secs Computing kpt #: 88 total cpu time spent up to now is 635.0 secs Computing kpt #: 89 total cpu time spent up to now is 639.9 secs Computing kpt #: 90 total cpu time spent up to now is 644.8 secs Computing kpt #: 91 total cpu time spent up to now is 649.8 secs Computing kpt #: 92 total cpu time spent up to now is 655.5 secs Computing kpt #: 93 total cpu time spent up to now is 660.4 secs Computing kpt #: 94 total cpu time spent up to now is 666.8 secs Computing kpt #: 95 total cpu time spent up to now is 671.8 secs Computing kpt #: 96 total cpu time spent up to now is 677.6 secs Computing kpt #: 97 total cpu time spent up to now is 684.1 secs Computing kpt #: 98 total cpu time spent up to now is 689.7 secs Computing kpt #: 99 total cpu time spent up to now is 694.9 secs Computing kpt #: 100 total cpu time spent up to now is 699.7 secs Computing kpt #: 101 total cpu time spent up to now is 704.7 secs Computing kpt #: 102 total cpu time spent up to now is 709.1 secs Computing kpt #: 103 total cpu time spent up to now is 713.9 secs Computing kpt #: 104 total cpu time spent up to now is 720.1 secs Computing kpt #: 105 total cpu time spent up to now is 725.1 secs Computing kpt #: 106 total cpu time spent up to now is 729.7 secs Computing kpt #: 107 total cpu time spent up to now is 734.2 secs Computing kpt #: 108 total cpu time spent up to now is 739.0 secs Computing kpt #: 109 total cpu time spent up to now is 743.9 secs Computing kpt #: 110 total cpu time spent up to now is 748.5 secs Computing kpt #: 111 total cpu time spent up to now is 753.5 secs Computing kpt #: 112 total cpu time spent up to now is 758.3 secs Computing kpt #: 113 total cpu time spent up to now is 763.0 secs Computing kpt #: 114 total cpu time spent up to now is 769.0 secs Computing kpt #: 115 total cpu time spent up to now is 775.9 secs Computing kpt #: 116 total cpu time spent up to now is 783.2 secs Computing kpt #: 117 total cpu time spent up to now is 790.7 secs Computing kpt #: 118 total cpu time spent up to now is 798.7 secs Computing kpt #: 119 total cpu time spent up to now is 808.9 secs Computing kpt #: 120 total cpu time spent up to now is 816.6 secs Computing kpt #: 121 total cpu time spent up to now is 823.1 secs Computing kpt #: 122 total cpu time spent up to now is 830.3 secs Computing kpt #: 123 total cpu time spent up to now is 837.5 secs Computing kpt #: 124 total cpu time spent up to now is 845.5 secs Computing kpt #: 125 total cpu time spent up to now is 853.5 secs Computing kpt #: 126 total cpu time spent up to now is 860.9 secs Computing kpt #: 127 total cpu time spent up to now is 869.1 secs Computing kpt #: 128 total cpu time spent up to now is 876.8 secs Computing kpt #: 129 total cpu time spent up to now is 883.1 secs Computing kpt #: 130 total cpu time spent up to now is 889.7 secs Computing kpt #: 131 total cpu time spent up to now is 896.0 secs Computing kpt #: 132 total cpu time spent up to now is 901.6 secs Computing kpt #: 133 total cpu time spent up to now is 906.8 secs Computing kpt #: 134 total cpu time spent up to now is 912.2 secs Computing kpt #: 135 total cpu time spent up to now is 918.3 secs Computing kpt #: 136 total cpu time spent up to now is 924.2 secs Computing kpt #: 137 total cpu time spent up to now is 929.2 secs Computing kpt #: 138 total cpu time spent up to now is 934.6 secs Computing kpt #: 139 total cpu time spent up to now is 939.8 secs Computing kpt #: 140 total cpu time spent up to now is 944.8 secs Computing kpt #: 141 total cpu time spent up to now is 949.6 secs Computing kpt #: 142 total cpu time spent up to now is 954.4 secs Computing kpt #: 143 total cpu time spent up to now is 959.8 secs Computing kpt #: 144 total cpu time spent up to now is 964.2 secs Computing kpt #: 145 total cpu time spent up to now is 968.9 secs Computing kpt #: 146 total cpu time spent up to now is 973.6 secs Computing kpt #: 147 total cpu time spent up to now is 978.5 secs Computing kpt #: 148 total cpu time spent up to now is 983.8 secs Computing kpt #: 149 total cpu time spent up to now is 990.6 secs Computing kpt #: 150 total cpu time spent up to now is 997.4 secs Computing kpt #: 151 total cpu time spent up to now is 1005.4 secs Computing kpt #: 152 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1017.2 secs Computing kpt #: 153 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1028.4 secs Computing kpt #: 154 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1039.4 secs Computing kpt #: 155 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1050.9 secs Computing kpt #: 156 total cpu time spent up to now is 1059.8 secs Computing kpt #: 157 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1071.7 secs Computing kpt #: 158 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1083.5 secs Computing kpt #: 159 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1094.5 secs Computing kpt #: 160 total cpu time spent up to now is 1105.1 secs Computing kpt #: 161 total cpu time spent up to now is 1114.4 secs Computing kpt #: 162 total cpu time spent up to now is 1122.7 secs Computing kpt #: 163 total cpu time spent up to now is 1130.3 secs Computing kpt #: 164 total cpu time spent up to now is 1135.6 secs Computing kpt #: 165 total cpu time spent up to now is 1141.5 secs Computing kpt #: 166 total cpu time spent up to now is 1149.0 secs Computing kpt #: 167 total cpu time spent up to now is 1155.8 secs Computing kpt #: 168 total cpu time spent up to now is 1162.8 secs Computing kpt #: 169 total cpu time spent up to now is 1170.4 secs Computing kpt #: 170 total cpu time spent up to now is 1178.2 secs Computing kpt #: 171 total cpu time spent up to now is 1188.6 secs Computing kpt #: 172 total cpu time spent up to now is 1199.0 secs Computing kpt #: 173 total cpu time spent up to now is 1207.4 secs Computing kpt #: 174 total cpu time spent up to now is 1217.1 secs Computing kpt #: 175 total cpu time spent up to now is 1225.7 secs Computing kpt #: 176 total cpu time spent up to now is 1234.1 secs Computing kpt #: 177 total cpu time spent up to now is 1242.0 secs Computing kpt #: 178 total cpu time spent up to now is 1248.9 secs Computing kpt #: 179 total cpu time spent up to now is 1257.1 secs Computing kpt #: 180 total cpu time spent up to now is 1264.8 secs Computing kpt #: 181 total cpu time spent up to now is 1272.9 secs Computing kpt #: 182 total cpu time spent up to now is 1281.5 secs Computing kpt #: 183 total cpu time spent up to now is 1289.0 secs Computing kpt #: 184 total cpu time spent up to now is 1294.7 secs Computing kpt #: 185 total cpu time spent up to now is 1301.2 secs Computing kpt #: 186 total cpu time spent up to now is 1307.4 secs Computing kpt #: 187 total cpu time spent up to now is 1312.4 secs Computing kpt #: 188 total cpu time spent up to now is 1317.9 secs Computing kpt #: 189 total cpu time spent up to now is 1323.6 secs Computing kpt #: 190 total cpu time spent up to now is 1329.3 secs Computing kpt #: 191 total cpu time spent up to now is 1334.9 secs Computing kpt #: 192 total cpu time spent up to now is 1340.2 secs Computing kpt #: 193 total cpu time spent up to now is 1345.4 secs Computing kpt #: 194 total cpu time spent up to now is 1350.7 secs Computing kpt #: 195 total cpu time spent up to now is 1355.7 secs Computing kpt #: 196 total cpu time spent up to now is 1360.4 secs Computing kpt #: 197 total cpu time spent up to now is 1364.8 secs Computing kpt #: 198 total cpu time spent up to now is 1369.1 secs Computing kpt #: 199 total cpu time spent up to now is 1374.2 secs Computing kpt #: 200 total cpu time spent up to now is 1379.3 secs Computing kpt #: 201 total cpu time spent up to now is 1384.1 secs Computing kpt #: 202 total cpu time spent up to now is 1389.9 secs Computing kpt #: 203 total cpu time spent up to now is 1396.1 secs Computing kpt #: 204 total cpu time spent up to now is 1403.0 secs Computing kpt #: 205 total cpu time spent up to now is 1411.5 secs Computing kpt #: 206 total cpu time spent up to now is 1418.1 secs Computing kpt #: 207 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1429.5 secs Computing kpt #: 208 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1440.2 secs Computing kpt #: 209 total cpu time spent up to now is 1451.5 secs Computing kpt #: 210 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1462.6 secs ethr = 1.39E-08, avg # of iterations = 59.1 total cpu time spent up to now is 1462.6 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 11191 PWs) bands (ev): -6.2768 -6.2768 -5.1423 -5.1423 -5.1265 -5.1265 -5.1265 -5.1265 -4.9297 -4.9297 -4.8397 -4.8397 -4.8233 -4.8233 -4.8233 -4.8233 1.5204 1.5204 2.2361 2.2361 2.2616 2.2616 2.2616 2.2616 2.9886 2.9886 3.0829 3.0829 3.0829 3.0829 3.8088 3.8088 3.8088 3.8088 3.8393 3.8393 3.8789 3.8789 3.8789 3.8789 4.4312 4.4312 4.4571 4.4571 4.4571 4.4571 4.7912 4.7912 4.7946 4.7946 4.7946 4.7946 5.5520 5.5520 5.6312 5.6312 5.6312 5.6312 6.0433 6.0433 6.1093 6.1093 6.1093 6.1093 7.2703 7.2703 7.2703 7.2703 8.4736 8.4736 9.1556 9.1556 9.1556 9.1556 9.2140 9.2140 9.6505 9.6505 9.6505 9.6505 9.8424 9.8424 9.8926 9.8926 9.8926 9.8926 k = 0.0161-0.0093 0.0132 ( 11191 PWs) bands (ev): -6.2760 -6.2760 -5.1423 -5.1423 -5.1267 -5.1267 -5.1264 -5.1264 -4.9302 -4.9302 -4.8400 -4.8400 -4.8237 -4.8237 -4.8235 -4.8235 1.5221 1.5221 2.2374 2.2374 2.2627 2.2627 2.2629 2.2629 2.9885 2.9885 3.0826 3.0826 3.0835 3.0835 3.8068 3.8068 3.8093 3.8093 3.8396 3.8396 3.8785 3.8785 3.8794 3.8794 4.4301 4.4301 4.4555 4.4555 4.4565 4.4565 4.7915 4.7915 4.7945 4.7945 4.7948 4.7948 5.5501 5.5501 5.6272 5.6272 5.6316 5.6316 6.0404 6.0404 6.1050 6.1050 6.1081 6.1081 7.2723 7.2723 7.2782 7.2782 8.4750 8.4750 9.1558 9.1558 9.1576 9.1576 9.2152 9.2152 9.6506 9.6506 9.6523 9.6523 9.8373 9.8373 9.8847 9.8847 9.8897 9.8897 k = 0.0323-0.0186 0.0263 ( 11218 PWs) bands (ev): -6.2733 -6.2733 -5.1423 -5.1423 -5.1271 -5.1271 -5.1262 -5.1262 -4.9318 -4.9318 -4.8406 -4.8406 -4.8249 -4.8249 -4.8242 -4.8242 1.5271 1.5271 2.2414 2.2414 2.2663 2.2663 2.2669 2.2669 2.9881 2.9881 3.0818 3.0818 3.0855 3.0855 3.8007 3.8007 3.8110 3.8110 3.8403 3.8403 3.8775 3.8775 3.8813 3.8813 4.4264 4.4264 4.4509 4.4509 4.4548 4.4548 4.7923 4.7923 4.7940 4.7940 4.7955 4.7955 5.5427 5.5427 5.6174 5.6174 5.6326 5.6326 6.0308 6.0308 6.0934 6.0934 6.1045 6.1045 7.2782 7.2782 7.3016 7.3016 8.4790 8.4790 9.1560 9.1560 9.1634 9.1634 9.2190 9.2190 9.6511 9.6511 9.6575 9.6575 9.8221 9.8221 9.8677 9.8677 9.8812 9.8812 k = 0.0484-0.0279 0.0395 ( 11206 PWs) bands (ev): -6.2689 -6.2689 -5.1425 -5.1425 -5.1277 -5.1277 -5.1257 -5.1257 -4.9344 -4.9344 -4.8419 -4.8419 -4.8268 -4.8268 -4.8252 -4.8252 1.5355 1.5355 2.2480 2.2480 2.2722 2.2722 2.2735 2.2735 2.9873 2.9873 3.0806 3.0806 3.0887 3.0887 3.7907 3.7907 3.8138 3.8138 3.8410 3.8410 3.8759 3.8759 3.8850 3.8850 4.4200 4.4200 4.4433 4.4433 4.4528 4.4528 4.7932 4.7932 4.7932 4.7932 4.7969 4.7969 5.5250 5.5250 5.6073 5.6073 5.6342 5.6342 6.0113 6.0113 6.0782 6.0782 6.0987 6.0987 7.2879 7.2879 7.3393 7.3393 8.4856 8.4856 9.1554 9.1554 9.1731 9.1731 9.2258 9.2258 9.6519 9.6519 9.6661 9.6661 9.7986 9.7986 9.8483 9.8483 9.8675 9.8675 k = 0.0645-0.0372 0.0527 ( 11214 PWs) bands (ev): -6.2628 -6.2628 -5.1431 -5.1431 -5.1282 -5.1282 -5.1250 -5.1250 -4.9381 -4.9381 -4.8437 -4.8437 -4.8293 -4.8293 -4.8268 -4.8268 1.5472 1.5472 2.2572 2.2572 2.2805 2.2805 2.2827 2.2827 2.9857 2.9857 3.0794 3.0794 3.0933 3.0933 3.7768 3.7768 3.8177 3.8177 3.8414 3.8414 3.8736 3.8736 3.8908 3.8908 4.4107 4.4107 4.4333 4.4333 4.4508 4.4508 4.7918 4.7918 4.7938 4.7938 4.7991 4.7991 5.4934 5.4934 5.6016 5.6016 5.6358 5.6358 5.9787 5.9787 6.0637 6.0637 6.0910 6.0910 7.3011 7.3011 7.3899 7.3899 8.4945 8.4945 9.1530 9.1530 9.1861 9.1861 9.2361 9.2361 9.6530 9.6530 9.6778 9.6778 9.7707 9.7707 9.8274 9.8274 9.8493 9.8493 k = 0.0806-0.0466 0.0658 ( 11214 PWs) bands (ev): -6.2549 -6.2549 -5.1445 -5.1445 -5.1282 -5.1282 -5.1242 -5.1242 -4.9427 -4.9427 -4.8464 -4.8464 -4.8322 -4.8322 -4.8287 -4.8287 1.5621 1.5621 2.2689 2.2689 2.2911 2.2911 2.2944 2.2944 2.9829 2.9829 3.0785 3.0785 3.0992 3.0992 3.7591 3.7591 3.8225 3.8225 3.8411 3.8411 3.8706 3.8706 3.8993 3.8993 4.3990 4.3990 4.4211 4.4211 4.4490 4.4490 4.7896 4.7896 4.7938 4.7938 4.8021 4.8021 5.4495 5.4495 5.6000 5.6000 5.6371 5.6371 5.9333 5.9333 6.0513 6.0513 6.0819 6.0819 7.3176 7.3176 7.4517 7.4517 8.5054 8.5054 9.1481 9.1481 9.2022 9.2022 9.2497 9.2497 9.6544 9.6544 9.6921 9.6921 9.7417 9.7417 9.8047 9.8047 9.8276 9.8276 k = 0.0968-0.0559 0.0790 ( 11214 PWs) bands (ev): -6.2453 -6.2453 -5.1469 -5.1469 -5.1276 -5.1276 -5.1231 -5.1231 -4.9483 -4.9483 -4.8501 -4.8501 -4.8352 -4.8352 -4.8311 -4.8311 1.5801 1.5801 2.2831 2.2831 2.3042 2.3042 2.3087 2.3087 2.9787 2.9787 3.0781 3.0781 3.1064 3.1064 3.7380 3.7380 3.8280 3.8280 3.8402 3.8402 3.8668 3.8668 3.9107 3.9107 4.3854 4.3854 4.4073 4.4073 4.4473 4.4473 4.7866 4.7866 4.7929 4.7929 4.8058 4.8058 5.3967 5.3967 5.6000 5.6000 5.6373 5.6373 5.8771 5.8771 6.0405 6.0405 6.0718 6.0718 7.3372 7.3372 7.5229 7.5229 8.5178 8.5178 9.1400 9.1400 9.2208 9.2208 9.2661 9.2661 9.6559 9.6559 9.7088 9.7088 9.7135 9.7135 9.7804 9.7804 9.8037 9.8037 k = 0.1129-0.0652 0.0922 ( 11238 PWs) bands (ev): -6.2341 -6.2341 -5.1504 -5.1504 -5.1262 -5.1262 -5.1218 -5.1218 -4.9547 -4.9547 -4.8550 -4.8550 -4.8381 -4.8381 -4.8338 -4.8338 1.6012 1.6012 2.2995 2.2995 2.3197 2.3197 2.3255 2.3255 2.9730 2.9730 3.0781 3.0781 3.1149 3.1149 3.7135 3.7135 3.8324 3.8324 3.8404 3.8404 3.8623 3.8623 3.9253 3.9253 4.3705 4.3705 4.3924 4.3924 4.4456 4.4456 4.7825 4.7825 4.7910 4.7910 4.8099 4.8099 5.3375 5.3375 5.5999 5.5999 5.6356 5.6356 5.8123 5.8123 6.0310 6.0310 6.0614 6.0614 7.3597 7.3597 7.6022 7.6022 8.5315 8.5315 9.1285 9.1285 9.2409 9.2409 9.2841 9.2841 9.6575 9.6575 9.6877 9.6877 9.7268 9.7268 9.7556 9.7556 9.7792 9.7792 k = 0.1290-0.0745 0.1054 ( 11238 PWs) bands (ev): -6.2212 -6.2212 -5.1549 -5.1549 -5.1242 -5.1242 -5.1203 -5.1203 -4.9620 -4.9620 -4.8610 -4.8610 -4.8409 -4.8409 -4.8370 -4.8370 1.6252 1.6252 2.3180 2.3180 2.3377 2.3377 2.3446 2.3446 2.9659 2.9659 3.0785 3.0785 3.1248 3.1248 3.6859 3.6859 3.8315 3.8315 3.8460 3.8460 3.8569 3.8569 3.9430 3.9430 4.3550 4.3550 4.3767 4.3767 4.4437 4.4437 4.7773 4.7773 4.7880 4.7880 4.8143 4.8143 5.2738 5.2738 5.5984 5.5984 5.6310 5.6310 5.7405 5.7405 6.0231 6.0231 6.0514 6.0514 7.3849 7.3849 7.6880 7.6880 8.5460 8.5460 9.1132 9.1132 9.2617 9.2617 9.3025 9.3025 9.6579 9.6579 9.6661 9.6661 9.7318 9.7318 9.7394 9.7394 9.7625 9.7625 k = 0.1452-0.0838 0.1185 ( 11242 PWs) bands (ev): -6.2067 -6.2067 -5.1604 -5.1604 -5.1217 -5.1217 -5.1186 -5.1186 -4.9700 -4.9700 -4.8681 -4.8681 -4.8438 -4.8438 -4.8405 -4.8405 1.6520 1.6520 2.3385 2.3385 2.3582 2.3582 2.3660 2.3660 2.9577 2.9577 3.0790 3.0790 3.1361 3.1361 3.6556 3.6556 3.8276 3.8276 3.8507 3.8507 3.8545 3.8545 3.9639 3.9639 4.3393 4.3393 4.3607 4.3607 4.4415 4.4415 4.7710 4.7710 4.7836 4.7836 4.8190 4.8190 5.2069 5.2069 5.5944 5.5944 5.6221 5.6221 5.6640 5.6640 6.0174 6.0174 6.0428 6.0428 7.4126 7.4126 7.7792 7.7792 8.5611 8.5611 9.0938 9.0938 9.2817 9.2817 9.3193 9.3193 9.6449 9.6449 9.6616 9.6616 9.7110 9.7110 9.7247 9.7247 9.7765 9.7765 k = 0.1613-0.0931 0.1317 ( 11254 PWs) bands (ev): -6.1906 -6.1906 -5.1668 -5.1668 -5.1188 -5.1188 -5.1166 -5.1166 -4.9787 -4.9787 -4.8759 -4.8759 -4.8467 -4.8467 -4.8445 -4.8445 1.6815 1.6815 2.3608 2.3608 2.3811 2.3811 2.3896 2.3896 2.9488 2.9488 3.0791 3.0791 3.1487 3.1487 3.6227 3.6227 3.8226 3.8226 3.8437 3.8437 3.8643 3.8643 3.9880 3.9880 4.3239 4.3239 4.3447 4.3447 4.4390 4.4390 4.7634 4.7634 4.7779 4.7779 4.8236 4.8236 5.1379 5.1379 5.5777 5.5777 5.5869 5.5869 5.6143 5.6143 6.0145 6.0145 6.0361 6.0361 7.4427 7.4427 7.8749 7.8749 8.5764 8.5764 9.0702 9.0702 9.2992 9.2992 9.3324 9.3324 9.6306 9.6306 9.6612 9.6612 9.6965 9.6965 9.7063 9.7063 9.7998 9.7998 k = 0.1774-0.1024 0.1449 ( 11274 PWs) bands (ev): -6.1730 -6.1730 -5.1743 -5.1743 -5.1155 -5.1155 -5.1144 -5.1144 -4.9878 -4.9878 -4.8845 -4.8845 -4.8498 -4.8498 -4.8487 -4.8487 1.7135 1.7135 2.3847 2.3847 2.4064 2.4064 2.4152 2.4152 2.9398 2.9398 3.0784 3.0784 3.1628 3.1628 3.5877 3.5877 3.8166 3.8166 3.8359 3.8359 3.8751 3.8751 4.0153 4.0153 4.3091 4.3091 4.3290 4.3290 4.4361 4.4361 4.7545 4.7545 4.7709 4.7709 4.8280 4.8280 5.0676 5.0676 5.4935 5.4935 5.5754 5.5754 5.5966 5.5966 6.0145 6.0145 6.0320 6.0320 7.4751 7.4751 7.9743 7.9743 8.5915 8.5915 9.0427 9.0427 9.3120 9.3120 9.3395 9.3395 9.6197 9.6197 9.6597 9.6597 9.6910 9.6910 9.6932 9.6932 9.8250 9.8250 k = 0.1935-0.1117 0.1580 ( 11254 PWs) bands (ev): -6.1539 -6.1539 -5.1828 -5.1828 -5.1120 -5.1120 -5.1118 -5.1118 -4.9973 -4.9973 -4.8937 -4.8937 -4.8533 -4.8533 -4.8531 -4.8531 1.7478 1.7478 2.4101 2.4101 2.4338 2.4338 2.4428 2.4428 2.9310 2.9310 3.0767 3.0767 3.1783 3.1783 3.5507 3.5507 3.8101 3.8101 3.8274 3.8274 3.8867 3.8867 4.0457 4.0457 4.2950 4.2950 4.3138 4.3138 4.4328 4.4328 4.7445 4.7445 4.7624 4.7624 4.8315 4.8315 4.9966 4.9966 5.4059 5.4059 5.5593 5.5593 5.5755 5.5755 6.0174 6.0174 6.0308 6.0308 7.5098 7.5098 8.0767 8.0767 8.6062 8.6062 9.0115 9.0115 9.3183 9.3183 9.3389 9.3389 9.6112 9.6112 9.6599 9.6599 9.6880 9.6880 9.6941 9.6941 9.8488 9.8488 k = 0.2097-0.1211 0.1712 ( 11246 PWs) bands (ev): -6.1334 -6.1334 -5.1925 -5.1925 -5.1093 -5.1093 -5.1079 -5.1079 -5.0069 -5.0069 -4.9033 -4.9033 -4.8582 -4.8582 -4.8566 -4.8566 1.7844 1.7844 2.4367 2.4367 2.4633 2.4633 2.4721 2.4721 2.9230 2.9230 3.0737 3.0737 3.1952 3.1952 3.5122 3.5122 3.8029 3.8029 3.8183 3.8183 3.8991 3.8991 4.0791 4.0791 4.2818 4.2818 4.2992 4.2992 4.4289 4.4289 4.7331 4.7331 4.7526 4.7526 4.8336 4.8336 4.9258 4.9258 5.3173 5.3173 5.5389 5.5389 5.5504 5.5504 6.0232 6.0232 6.0327 6.0327 7.5466 7.5466 8.1814 8.1814 8.6201 8.6201 8.9771 8.9771 9.3169 9.3169 9.3304 9.3304 9.6038 9.6038 9.6635 9.6635 9.6921 9.6921 9.7047 9.7047 9.8489 9.8489 k = 0.2258-0.1304 0.1844 ( 11262 PWs) bands (ev): -6.1115 -6.1115 -5.2035 -5.2035 -5.1064 -5.1064 -5.1036 -5.1036 -5.0165 -5.0165 -4.9133 -4.9133 -4.8634 -4.8634 -4.8604 -4.8604 1.8228 1.8228 2.4643 2.4643 2.4946 2.4946 2.5029 2.5029 2.9163 2.9163 3.0693 3.0693 3.2136 3.2136 3.4724 3.4724 3.7955 3.7955 3.8089 3.8089 3.9122 3.9122 4.1153 4.1153 4.2695 4.2695 4.2853 4.2853 4.4245 4.4245 4.7202 4.7202 4.7415 4.7415 4.8329 4.8329 4.8558 4.8558 5.2296 5.2296 5.5143 5.5143 5.5218 5.5218 6.0312 6.0312 6.0372 6.0372 7.5856 7.5856 8.2880 8.2880 8.6329 8.6329 8.9402 8.9402 9.3080 9.3080 9.3153 9.3153 9.5967 9.5967 9.6685 9.6685 9.7051 9.7051 9.7229 9.7229 9.8345 9.8345 k = 0.2419-0.1397 0.1975 ( 11250 PWs) bands (ev): -6.0883 -6.0883 -5.2158 -5.2158 -5.1032 -5.1032 -5.0991 -5.0991 -5.0258 -5.0258 -4.9237 -4.9237 -4.8689 -4.8689 -4.8644 -4.8644 1.8631 1.8631 2.4926 2.4926 2.5273 2.5273 2.5351 2.5351 2.9114 2.9114 3.0634 3.0634 3.2335 3.2335 3.4316 3.4316 3.7880 3.7880 3.7994 3.7994 3.9258 3.9258 4.1541 4.1541 4.2581 4.2581 4.2721 4.2721 4.4194 4.4194 4.7045 4.7045 4.7291 4.7291 4.7885 4.7885 4.8269 4.8269 5.1458 5.1458 5.4863 5.4863 5.4902 5.4902 6.0411 6.0411 6.0441 6.0441 7.6265 7.6265 8.3959 8.3959 8.6445 8.6445 8.9015 8.9015 9.2930 9.2930 9.2955 9.2955 9.5887 9.5887 9.6732 9.6732 9.7255 9.7255 9.7480 9.7480 9.8195 9.8195 k = 0.2581-0.1490 0.2107 ( 11254 PWs) bands (ev): -6.0639 -6.0639 -5.2297 -5.2297 -5.0998 -5.0998 -5.0944 -5.0944 -5.0347 -5.0347 -4.9342 -4.9342 -4.8745 -4.8745 -4.8686 -4.8686 1.9050 1.9050 2.5211 2.5211 2.5613 2.5613 2.5684 2.5684 2.9086 2.9086 3.0564 3.0564 3.2549 3.2549 3.3902 3.3902 3.7806 3.7806 3.7900 3.7900 3.9400 3.9400 4.1945 4.1945 4.2473 4.2473 4.2600 4.2600 4.4137 4.4137 4.6793 4.6793 4.7152 4.7152 4.7309 4.7309 4.8110 4.8110 5.0712 5.0712 5.4553 5.4553 5.4565 5.4565 6.0522 6.0522 6.0528 6.0528 7.6694 7.6694 8.5047 8.5047 8.6546 8.6546 8.8617 8.8617 9.2728 9.2728 9.2737 9.2737 9.5777 9.5777 9.6772 9.6772 9.7502 9.7502 9.7778 9.7778 9.8061 9.8061 k = 0.2742-0.1583 0.2239 ( 11254 PWs) bands (ev): -6.0384 -6.0384 -5.2451 -5.2451 -5.0962 -5.0962 -5.0895 -5.0895 -5.0430 -5.0430 -4.9448 -4.9448 -4.8804 -4.8804 -4.8731 -4.8731 1.9483 1.9483 2.5491 2.5491 2.5961 2.5961 2.6025 2.6025 2.9083 2.9083 3.0489 3.0489 3.2779 3.2779 3.3484 3.3484 3.7737 3.7737 3.7811 3.7811 3.9544 3.9544 4.2305 4.2305 4.2370 4.2370 4.2545 4.2545 4.4072 4.4072 4.6299 4.6299 4.6983 4.6983 4.6992 4.6992 4.7784 4.7784 5.0137 5.0137 5.4212 5.4212 5.4223 5.4223 6.0629 6.0629 6.0642 6.0642 7.7142 7.7142 8.6140 8.6140 8.6629 8.6629 8.8215 8.8215 9.2486 9.2486 9.2518 9.2518 9.5604 9.5604 9.6807 9.6807 9.7702 9.7702 9.8021 9.8021 9.8098 9.8098 k = 0.2903-0.1676 0.2370 ( 11242 PWs) bands (ev): -6.0117 -6.0117 -5.2622 -5.2622 -5.0923 -5.0923 -5.0845 -5.0845 -5.0504 -5.0504 -4.9554 -4.9554 -4.8864 -4.8864 -4.8778 -4.8778 1.9928 1.9928 2.5761 2.5761 2.6315 2.6315 2.6371 2.6371 2.9099 2.9099 3.0420 3.0420 3.3017 3.3017 3.3071 3.3071 3.7675 3.7675 3.7729 3.7729 3.9690 3.9690 4.2268 4.2268 4.2295 4.2295 4.2877 4.2877 4.4001 4.4001 4.5677 4.5677 4.6767 4.6767 4.6798 4.6798 4.7292 4.7292 4.9780 4.9780 5.3851 5.3851 5.3880 5.3880 6.0738 6.0738 6.0766 6.0766 7.7607 7.7607 8.6695 8.6695 8.7224 8.7224 8.7824 8.7824 9.2241 9.2241 9.2286 9.2286 9.5337 9.5337 9.6840 9.6840 9.7672 9.7672 9.8245 9.8245 9.8365 9.8365 k = 0.3065-0.1769 0.2502 ( 11234 PWs) bands (ev): -5.9840 -5.9840 -5.2810 -5.2810 -5.0882 -5.0882 -5.0796 -5.0796 -5.0568 -5.0568 -4.9660 -4.9660 -4.8925 -4.8925 -4.8827 -4.8827 2.0382 2.0382 2.6012 2.6012 2.6670 2.6670 2.6718 2.6718 2.9122 2.9122 3.0381 3.0381 3.2645 3.2645 3.3285 3.3285 3.7624 3.7624 3.7659 3.7659 3.9835 3.9835 4.2164 4.2164 4.2174 4.2174 4.3326 4.3326 4.3922 4.3922 4.5041 4.5041 4.6273 4.6273 4.6647 4.6647 4.6891 4.6891 4.9591 4.9591 5.3490 5.3490 5.3530 5.3530 6.0852 6.0852 6.0890 6.0890 7.8090 7.8090 8.6743 8.6743 8.7400 8.7400 8.8345 8.8345 9.1999 9.1999 9.2052 9.2052 9.4959 9.4959 9.6875 9.6875 9.7561 9.7561 9.8362 9.8362 9.8570 9.8570 k = 0.3226-0.1862 0.2634 ( 11226 PWs) bands (ev): -5.9555 -5.9555 -5.3014 -5.3014 -5.0840 -5.0840 -5.0752 -5.0752 -5.0616 -5.0616 -4.9764 -4.9764 -4.8987 -4.8987 -4.8878 -4.8878 2.0845 2.0845 2.6241 2.6241 2.7022 2.7022 2.7062 2.7062 2.9120 2.9120 3.0411 3.0411 3.2232 3.2232 3.3561 3.3561 3.7587 3.7587 3.7603 3.7603 3.9974 3.9974 4.2039 4.2039 4.2055 4.2055 4.3789 4.3789 4.3835 4.3835 4.4421 4.4421 4.5493 4.5493 4.6509 4.6509 4.6677 4.6677 4.9493 4.9493 5.3134 5.3134 5.3182 5.3182 6.0967 6.0967 6.1011 6.1011 7.8587 7.8587 8.6774 8.6774 8.7021 8.7021 8.9423 8.9423 9.1767 9.1767 9.1823 9.1823 9.4477 9.4477 9.6913 9.6913 9.7447 9.7447 9.8343 9.8343 9.8914 9.8914 k = 0.3387-0.1956 0.2766 ( 11226 PWs) bands (ev): -5.9260 -5.9260 -5.3234 -5.3234 -5.0795 -5.0795 -5.0732 -5.0732 -5.0630 -5.0630 -4.9866 -4.9866 -4.9049 -4.9049 -4.8930 -4.8930 2.1313 2.1313 2.6444 2.6444 2.7366 2.7366 2.7399 2.7399 2.9061 2.9061 3.0545 3.0545 3.1824 3.1824 3.3853 3.3853 3.7566 3.7566 3.7567 3.7567 4.0101 4.0101 4.1892 4.1892 4.1936 4.1936 4.3740 4.3740 4.3817 4.3817 4.4263 4.4263 4.4625 4.4625 4.6382 4.6382 4.6510 4.6510 4.9436 4.9436 5.2790 5.2790 5.2841 5.2841 6.1079 6.1079 6.1128 6.1128 7.9098 7.9098 8.6652 8.6652 8.6789 8.6789 9.0488 9.0488 9.1552 9.1552 9.1604 9.1604 9.3918 9.3918 9.6958 9.6958 9.7338 9.7338 9.8400 9.8400 9.9259 9.9259 k = 0.3548-0.2049 0.2897 ( 11238 PWs) bands (ev): -5.8959 -5.8959 -5.3469 -5.3469 -5.0750 -5.0750 -5.0747 -5.0747 -5.0600 -5.0600 -4.9965 -4.9965 -4.9109 -4.9109 -4.8984 -4.8984 2.1784 2.1784 2.6623 2.6623 2.7698 2.7698 2.7725 2.7725 2.8937 2.8937 3.0794 3.0794 3.1426 3.1426 3.4161 3.4161 3.7550 3.7550 3.7567 3.7567 4.0205 4.0205 4.1733 4.1733 4.1804 4.1804 4.3262 4.3262 4.3636 4.3636 4.3729 4.3729 4.4722 4.4722 4.6270 4.6270 4.6359 4.6359 4.9392 4.9392 5.2463 5.2463 5.2513 5.2513 6.1188 6.1188 6.1238 6.1238 7.9619 7.9619 8.6302 8.6302 8.6794 8.6794 9.1287 9.1287 9.1397 9.1397 9.1595 9.1595 9.3312 9.3312 9.7012 9.7012 9.7237 9.7237 9.8525 9.8525 9.9596 9.9596 k = 0.3710-0.2142 0.3029 ( 11214 PWs) bands (ev): -5.8651 -5.8651 -5.3719 -5.3719 -5.0768 -5.0768 -5.0704 -5.0704 -5.0555 -5.0555 -5.0060 -5.0060 -4.9168 -4.9168 -4.9038 -4.9038 2.2257 2.2257 2.6779 2.6779 2.8011 2.8011 2.8034 2.8034 2.8760 2.8760 3.1038 3.1038 3.1145 3.1145 3.4485 3.4485 3.7556 3.7556 3.7589 3.7589 4.0265 4.0265 4.1562 4.1562 4.1655 4.1655 4.2765 4.2765 4.2823 4.2823 4.3528 4.3528 4.5163 4.5163 4.6183 4.6183 4.6221 4.6221 4.9346 4.9346 5.2158 5.2158 5.2205 5.2205 6.1290 6.1290 6.1339 6.1339 8.0149 8.0149 8.5973 8.5973 8.6792 8.6792 9.1138 9.1138 9.1207 9.1207 9.2446 9.2446 9.2805 9.2805 9.7083 9.7083 9.7146 9.7146 9.8702 9.8702 9.9919 9.9919 k = 0.3871-0.2235 0.3161 ( 11226 PWs) bands (ev): -5.8337 -5.8337 -5.3981 -5.3981 -5.0785 -5.0785 -5.0658 -5.0658 -5.0508 -5.0508 -5.0149 -5.0149 -4.9223 -4.9223 -4.9093 -4.9093 2.2730 2.2730 2.6914 2.6914 2.8293 2.8293 2.8320 2.8320 2.8557 2.8557 3.0663 3.0663 3.1578 3.1578 3.4826 3.4826 3.7588 3.7588 3.7634 3.7634 4.0244 4.0244 4.1381 4.1381 4.1480 4.1480 4.1932 4.1932 4.2362 4.2362 4.3410 4.3410 4.5545 4.5545 4.6096 4.6096 4.6156 4.6156 4.9291 4.9291 5.1879 5.1879 5.1921 5.1921 6.1383 6.1383 6.1430 6.1430 8.0682 8.0682 8.5666 8.5666 8.6792 8.6792 9.0973 9.0973 9.1036 9.1036 9.1964 9.1964 9.3606 9.3606 9.7063 9.7063 9.7182 9.7182 9.8923 9.8923 10.0223 10.0223 k = 0.4032-0.2328 0.3292 ( 11214 PWs) bands (ev): -5.8019 -5.8019 -5.4255 -5.4255 -5.0793 -5.0793 -5.0614 -5.0614 -5.0462 -5.0462 -5.0232 -5.0232 -4.9274 -4.9274 -4.9147 -4.9147 2.3199 2.3199 2.7022 2.7022 2.8307 2.8307 2.8580 2.8580 2.8585 2.8585 3.0302 3.0302 3.2078 3.2078 3.5182 3.5182 3.7644 3.7644 3.7701 3.7701 4.0101 4.0101 4.0991 4.0991 4.1195 4.1195 4.1348 4.1348 4.2094 4.2094 4.3286 4.3286 4.5748 4.5748 4.5986 4.5986 4.6307 4.6307 4.9219 4.9219 5.1631 5.1631 5.1665 5.1665 6.1467 6.1467 6.1510 6.1510 8.1214 8.1214 8.5382 8.5382 8.6803 8.6803 9.0824 9.0824 9.0884 9.0884 9.1311 9.1311 9.4507 9.4507 9.6989 9.6989 9.7336 9.7336 9.9181 9.9181 10.0501 10.0502 k = 0.4194-0.2421 0.3424 ( 11222 PWs) bands (ev): -5.7698 -5.7698 -5.4540 -5.4540 -5.0794 -5.0794 -5.0576 -5.0576 -5.0422 -5.0422 -5.0306 -5.0306 -4.9319 -4.9319 -4.9200 -4.9200 2.3664 2.3664 2.7080 2.7080 2.8117 2.8117 2.8808 2.8808 2.8808 2.8808 2.9958 2.9958 3.2634 3.2634 3.5554 3.5554 3.7723 3.7723 3.7788 3.7788 3.9822 3.9822 4.0128 4.0128 4.1004 4.1004 4.1141 4.1141 4.1979 4.1979 4.3155 4.3155 4.5766 4.5766 4.5893 4.5893 4.6637 4.6637 4.9128 4.9128 5.1415 5.1415 5.1442 5.1442 6.1541 6.1541 6.1578 6.1578 8.1736 8.1736 8.5119 8.5119 8.6836 8.6836 9.0604 9.0604 9.0749 9.0749 9.0753 9.0753 9.5285 9.5285 9.6922 9.6922 9.7601 9.7601 9.9472 9.9472 10.0751 10.0751 k = 0.4355-0.2514 0.3556 ( 11214 PWs) bands (ev): -5.7374 -5.7374 -5.4834 -5.4834 -5.0785 -5.0785 -5.0551 -5.0551 -5.0388 -5.0388 -5.0362 -5.0362 -4.9356 -4.9356 -4.9249 -4.9249 2.4122 2.4122 2.7036 2.7036 2.8006 2.8006 2.9000 2.9000 2.9002 2.9002 2.9632 2.9632 3.3237 3.3237 3.5941 3.5941 3.7819 3.7819 3.7887 3.7887 3.9268 3.9268 3.9445 3.9445 4.0814 4.0814 4.0942 4.0942 4.1982 4.1982 4.3019 4.3019 4.5738 4.5738 4.5817 4.5817 4.7003 4.7003 4.9013 4.9013 5.1234 5.1234 5.1255 5.1255 6.1603 6.1603 6.1634 6.1634 8.2239 8.2239 8.4872 8.4872 8.6905 8.6905 8.9996 8.9996 9.0614 9.0614 9.0643 9.0643 9.5860 9.5860 9.6861 9.6861 9.8048 9.8048 9.9793 9.9793 10.0965 10.0965 k = 0.4516-0.2607 0.3687 ( 11222 PWs) bands (ev): -5.7049 -5.7049 -5.5136 -5.5136 -5.0769 -5.0769 -5.0554 -5.0554 -5.0388 -5.0388 -5.0362 -5.0362 -4.9383 -4.9383 -4.9295 -4.9295 2.4572 2.4572 2.6852 2.6852 2.8025 2.8025 2.9147 2.9147 2.9156 2.9156 2.9331 2.9331 3.3881 3.3881 3.6343 3.6343 3.7922 3.7922 3.7986 3.7986 3.8430 3.8430 3.9018 3.9018 4.0638 4.0638 4.0752 4.0752 4.2056 4.2056 4.2878 4.2878 4.5708 4.5708 4.5758 4.5758 4.7358 4.7358 4.8871 4.8871 5.1092 5.1092 5.1106 5.1106 6.1653 6.1653 6.1677 6.1677 8.2712 8.2712 8.4634 8.4634 8.7028 8.7028 8.9385 8.9385 9.0533 9.0533 9.0557 9.0557 9.6214 9.6214 9.6804 9.6804 9.8693 9.8693 10.0142 10.0142 10.1137 10.1138 k = 0.4677-0.2701 0.3819 ( 11214 PWs) bands (ev): -5.6724 -5.6724 -5.5444 -5.5444 -5.0744 -5.0744 -5.0587 -5.0587 -5.0382 -5.0382 -5.0347 -5.0347 -4.9398 -4.9398 -4.9335 -4.9335 2.5009 2.5009 2.6564 2.6564 2.8141 2.8141 2.9028 2.9028 2.9269 2.9269 2.9275 2.9275 3.4563 3.4563 3.6756 3.6756 3.7596 3.7596 3.8042 3.8042 3.8066 3.8066 3.8576 3.8576 4.0497 4.0497 4.0584 4.0584 4.2168 4.2168 4.2733 4.2733 4.5685 4.5685 4.5715 4.5715 4.7689 4.7689 4.8699 4.8699 5.0988 5.0988 5.0997 5.0997 6.1690 6.1690 6.1706 6.1706 8.3143 8.3143 8.4394 8.4394 8.7220 8.7220 8.8815 8.8815 9.0477 9.0477 9.0493 9.0493 9.6415 9.6415 9.6748 9.6748 9.9462 9.9462 10.0516 10.0516 10.1257 10.1257 k = 0.4839-0.2794 0.3951 ( 11234 PWs) bands (ev): -5.6400 -5.6400 -5.5759 -5.5759 -5.0712 -5.0712 -5.0630 -5.0630 -5.0365 -5.0365 -5.0344 -5.0344 -4.9400 -4.9400 -4.9367 -4.9367 2.5432 2.5432 2.6218 2.6218 2.8316 2.8316 2.8767 2.8767 2.9337 2.9337 2.9338 2.9338 3.5277 3.5277 3.6784 3.6784 3.7203 3.7203 3.8022 3.8022 3.8121 3.8121 3.8221 3.8221 4.0411 4.0411 4.0460 4.0460 4.2300 4.2300 4.2587 4.2587 4.5674 4.5674 4.5688 4.5688 4.7991 4.7991 4.8496 4.8496 5.0926 5.0926 5.0931 5.0931 6.1714 6.1714 6.1722 6.1722 8.3524 8.3524 8.4140 8.4140 8.7494 8.7494 8.8299 8.8299 9.0445 9.0445 9.0453 9.0453 9.6538 9.6538 9.6690 9.6690 10.0276 10.0276 10.0906 10.0906 10.1290 10.1290 k = 0.5000-0.2887 0.4082 ( 11278 PWs) bands (ev): -5.6078 -5.6078 -5.6078 -5.6078 -5.0674 -5.0674 -5.0674 -5.0674 -5.0350 -5.0350 -5.0350 -5.0350 -4.9390 -4.9390 -4.9390 -4.9390 2.5837 2.5837 2.5837 2.5837 2.8527 2.8527 2.8527 2.8527 2.9360 2.9360 2.9360 2.9360 3.6020 3.6020 3.6020 3.6020 3.7630 3.7630 3.7630 3.7630 3.8170 3.8170 3.8170 3.8170 4.0398 4.0398 4.0398 4.0398 4.2441 4.2441 4.2441 4.2441 4.5674 4.5674 4.5674 4.5674 4.8260 4.8260 4.8260 4.8260 5.0907 5.0907 5.0907 5.0907 6.1725 6.1725 6.1725 6.1725 8.3854 8.3854 8.3854 8.3854 8.7855 8.7855 8.7855 8.7855 9.0437 9.0437 9.0437 9.0437 9.6623 9.6623 9.6623 9.6623 10.1034 10.1034 10.1034 10.1034 10.1306 10.1306 k = 0.5000-0.2887 0.4082 ( 11278 PWs) bands (ev): -5.6078 -5.6078 -5.6078 -5.6078 -5.0674 -5.0674 -5.0674 -5.0674 -5.0350 -5.0350 -5.0350 -5.0350 -4.9390 -4.9390 -4.9390 -4.9390 2.5837 2.5837 2.5837 2.5837 2.8527 2.8527 2.8527 2.8527 2.9360 2.9360 2.9360 2.9360 3.6020 3.6020 3.6020 3.6020 3.7630 3.7630 3.7630 3.7630 3.8170 3.8170 3.8170 3.8170 4.0398 4.0398 4.0398 4.0398 4.2441 4.2441 4.2441 4.2441 4.5674 4.5674 4.5674 4.5674 4.8260 4.8260 4.8260 4.8260 5.0907 5.0907 5.0907 5.0907 6.1725 6.1725 6.1725 6.1725 8.3854 8.3854 8.3854 8.3854 8.7855 8.7855 8.7855 8.7855 9.0437 9.0437 9.0437 9.0437 9.6623 9.6623 9.6623 9.6623 10.1034 10.1034 10.1034 10.1034 10.1306 10.1306 k = 0.5000-0.2706 0.4210 ( 11240 PWs) bands (ev): -5.6075 -5.6075 -5.6075 -5.6075 -5.0734 -5.0734 -5.0709 -5.0709 -5.0332 -5.0332 -5.0288 -5.0288 -4.9393 -4.9393 -4.9377 -4.9377 2.5833 2.5833 2.5853 2.5853 2.8522 2.8522 2.8527 2.8527 2.9374 2.9374 2.9375 2.9375 3.5987 3.5987 3.6011 3.6011 3.7480 3.7480 3.7600 3.7600 3.8179 3.8179 3.8312 3.8312 4.0387 4.0387 4.0426 4.0426 4.2433 4.2433 4.2436 4.2436 4.5643 4.5643 4.5703 4.5703 4.8247 4.8247 4.8309 4.8309 5.0926 5.0926 5.0928 5.0928 6.1692 6.1692 6.1695 6.1695 8.3850 8.3850 8.3868 8.3868 8.7847 8.7847 8.7875 8.7875 9.0448 9.0448 9.0489 9.0489 9.6576 9.6576 9.6614 9.6614 10.0930 10.0930 10.1056 10.1056 10.1219 10.1219 k = 0.5000-0.2526 0.4338 ( 11218 PWs) bands (ev): -5.6066 -5.6066 -5.6065 -5.6065 -5.0843 -5.0843 -5.0811 -5.0811 -5.0261 -5.0261 -5.0193 -5.0193 -4.9388 -4.9388 -4.9356 -4.9356 2.5838 2.5838 2.5879 2.5879 2.8513 2.8513 2.8523 2.8523 2.9417 2.9417 2.9419 2.9419 3.5913 3.5913 3.5959 3.5959 3.7256 3.7256 3.7410 3.7410 3.8319 3.8319 3.8496 3.8496 4.0391 4.0391 4.0469 4.0469 4.2415 4.2415 4.2421 4.2421 4.5605 4.5605 4.5725 4.5725 4.8271 4.8271 4.8397 4.8397 5.0983 5.0983 5.0985 5.0985 6.1598 6.1598 6.1604 6.1604 8.3855 8.3855 8.3891 8.3891 8.7852 8.7852 8.7906 8.7906 9.0522 9.0522 9.0602 9.0602 9.6473 9.6473 9.6548 9.6548 10.0759 10.0759 10.1010 10.1010 10.1184 10.1184 k = 0.5000-0.2345 0.4465 ( 11224 PWs) bands (ev): -5.6051 -5.6051 -5.6050 -5.6050 -5.0970 -5.0970 -5.0938 -5.0938 -5.0181 -5.0181 -5.0094 -5.0094 -4.9375 -4.9375 -4.9324 -4.9324 2.5854 2.5854 2.5915 2.5915 2.8502 2.8502 2.8516 2.8516 2.9485 2.9485 2.9487 2.9487 3.5801 3.5801 3.5865 3.5865 3.7001 3.7001 3.7164 3.7164 3.8492 3.8492 3.8681 3.8681 4.0403 4.0403 4.0523 4.0523 4.2393 4.2393 4.2404 4.2404 4.5554 4.5554 4.5730 4.5730 4.8337 4.8337 4.8528 4.8528 5.1076 5.1076 5.1080 5.1080 6.1444 6.1444 6.1453 6.1453 8.3869 8.3869 8.3922 8.3922 8.7874 8.7874 8.7951 8.7951 9.0653 9.0653 9.0770 9.0770 9.6317 9.6317 9.6426 9.6426 10.0579 10.0579 10.0888 10.0888 10.1171 10.1171 k = 0.5000-0.2165 0.4593 ( 11226 PWs) bands (ev): -5.6030 -5.6030 -5.6029 -5.6029 -5.1103 -5.1103 -5.1073 -5.1073 -5.0108 -5.0108 -5.0003 -5.0003 -4.9351 -4.9351 -4.9283 -4.9283 2.5879 2.5879 2.5960 2.5960 2.8493 2.8493 2.8508 2.8508 2.9577 2.9577 2.9579 2.9579 3.5657 3.5657 3.5733 3.5733 3.6729 3.6729 3.6896 3.6896 3.8669 3.8669 3.8860 3.8860 4.0416 4.0416 4.0579 4.0579 4.2377 4.2377 4.2391 4.2391 4.5482 4.5482 4.5706 4.5706 4.8447 4.8447 4.8701 4.8701 5.1200 5.1200 5.1214 5.1214 6.1233 6.1233 6.1245 6.1245 8.3892 8.3892 8.3961 8.3961 8.7916 8.7916 8.8013 8.8013 9.0833 9.0833 9.0983 9.0983 9.6109 9.6109 9.6250 9.6250 10.0413 10.0413 10.0743 10.0743 10.1162 10.1164 k = 0.5000-0.1985 0.4720 ( 11218 PWs) bands (ev): -5.6005 -5.6005 -5.6003 -5.6003 -5.1240 -5.1240 -5.1210 -5.1210 -5.0046 -5.0046 -4.9925 -4.9925 -4.9318 -4.9318 -4.9234 -4.9234 2.5912 2.5912 2.6012 2.6012 2.8486 2.8486 2.8503 2.8503 2.9690 2.9690 2.9691 2.9691 3.5484 3.5484 3.5565 3.5565 3.6449 3.6449 3.6622 3.6622 3.8843 3.8843 3.9027 3.9027 4.0425 4.0425 4.0630 4.0630 4.2376 4.2376 4.2390 4.2390 4.5386 4.5386 4.5646 4.5646 4.8600 4.8600 4.8913 4.8913 5.1355 5.1355 5.1387 5.1387 6.0968 6.0968 6.0983 6.0983 8.3923 8.3923 8.4007 8.4007 8.7981 8.7981 8.8095 8.8095 9.1053 9.1053 9.1233 9.1233 9.5855 9.5855 9.6024 9.6024 10.0270 10.0270 10.0612 10.0612 10.1155 10.1158 k = 0.5000-0.1804 0.4848 ( 11226 PWs) bands (ev): -5.5975 -5.5975 -5.5973 -5.5973 -5.1375 -5.1375 -5.1346 -5.1346 -4.9996 -4.9996 -4.9861 -4.9861 -4.9275 -4.9275 -4.9177 -4.9177 2.5951 2.5951 2.6071 2.6071 2.8485 2.8485 2.8501 2.8501 2.9820 2.9820 2.9821 2.9821 3.5286 3.5286 3.5366 3.5366 3.6166 3.6166 3.6350 3.6350 3.9007 3.9007 3.9181 3.9181 4.0431 4.0431 4.0674 4.0674 4.2396 4.2396 4.2402 4.2402 4.5268 4.5268 4.5551 4.5551 4.8787 4.8787 4.9153 4.9153 5.1544 5.1544 5.1597 5.1597 6.0654 6.0654 6.0671 6.0671 8.3960 8.3960 8.4057 8.4057 8.8072 8.8072 8.8200 8.8200 9.1300 9.1300 9.1508 9.1508 9.5560 9.5560 9.5752 9.5752 10.0154 10.0154 10.0504 10.0504 10.1149 10.1152 k = 0.5000-0.1624 0.4976 ( 11224 PWs) bands (ev): -5.5941 -5.5941 -5.5940 -5.5940 -5.1508 -5.1508 -5.1479 -5.1479 -4.9958 -4.9958 -4.9811 -4.9811 -4.9225 -4.9225 -4.9117 -4.9117 2.5995 2.5995 2.6134 2.6134 2.8489 2.8489 2.8504 2.8504 2.9965 2.9965 2.9968 2.9968 3.5065 3.5065 3.5139 3.5139 3.5890 3.5890 3.6087 3.6087 3.9157 3.9157 3.9318 3.9318 4.0440 4.0440 4.0714 4.0714 4.2422 4.2422 4.2435 4.2435 4.5132 4.5132 4.5425 4.5425 4.8993 4.8993 4.9406 4.9406 5.1769 5.1769 5.1847 5.1847 6.0294 6.0294 6.0314 6.0314 8.4002 8.4002 8.4110 8.4110 8.8191 8.8191 8.8330 8.8330 9.1565 9.1565 9.1798 9.1798 9.5229 9.5229 9.5442 9.5442 10.0065 10.0065 10.0423 10.0423 10.1141 10.1144 k = 0.5000-0.1443 0.5103 ( 11224 PWs) bands (ev): -5.5906 -5.5906 -5.5905 -5.5905 -5.1635 -5.1635 -5.1606 -5.1606 -4.9928 -4.9928 -4.9773 -4.9773 -4.9170 -4.9170 -4.9055 -4.9055 2.6042 2.6042 2.6199 2.6199 2.8498 2.8498 2.8511 2.8511 3.0125 3.0125 3.0129 3.0129 3.4825 3.4825 3.4889 3.4889 3.5628 3.5628 3.5839 3.5839 3.9286 3.9286 3.9434 3.9434 4.0464 4.0464 4.0755 4.0755 4.2445 4.2445 4.2490 4.2490 4.4987 4.4987 4.5277 4.5277 4.9204 4.9204 4.9655 4.9655 5.2038 5.2038 5.2140 5.2140 5.9895 5.9895 5.9917 5.9917 8.4047 8.4047 8.4165 8.4165 8.8337 8.8337 8.8486 8.8486 9.1835 9.1835 9.2091 9.2091 9.4872 9.4872 9.5101 9.5101 10.0004 10.0004 10.0367 10.0367 10.1134 10.1134 k = 0.5000-0.1263 0.5231 ( 11234 PWs) bands (ev): -5.5869 -5.5869 -5.5868 -5.5868 -5.1755 -5.1755 -5.1725 -5.1725 -4.9906 -4.9906 -4.9745 -4.9745 -4.9114 -4.9114 -4.8995 -4.8995 2.6089 2.6089 2.6264 2.6264 2.8513 2.8513 2.8522 2.8522 3.0295 3.0295 3.0302 3.0302 3.4569 3.4569 3.4623 3.4623 3.5384 3.5384 3.5609 3.5609 3.9384 3.9384 3.9526 3.9526 4.0513 4.0513 4.0806 4.0806 4.2460 4.2460 4.2556 4.2556 4.4840 4.4840 4.5114 4.5114 4.9405 4.9405 4.9885 4.9885 5.2353 5.2353 5.2476 5.2476 5.9461 5.9461 5.9484 5.9484 8.4092 8.4092 8.4218 8.4218 8.8511 8.8511 8.8668 8.8668 9.2101 9.2101 9.2377 9.2377 9.4496 9.4496 9.4738 9.4738 9.9968 9.9968 10.0334 10.0334 10.1121 10.1127 k = 0.5000-0.1083 0.5358 ( 11242 PWs) bands (ev): -5.5832 -5.5832 -5.5831 -5.5831 -5.1864 -5.1864 -5.1834 -5.1834 -4.9889 -4.9889 -4.9724 -4.9724 -4.9061 -4.9061 -4.8938 -4.8938 2.6135 2.6135 2.6327 2.6327 2.8532 2.8532 2.8538 2.8538 3.0475 3.0475 3.0484 3.0484 3.4304 3.4304 3.4349 3.4349 3.5164 3.5164 3.5401 3.5401 3.9449 3.9449 3.9592 3.9592 4.0597 4.0597 4.0870 4.0870 4.2460 4.2460 4.2624 4.2624 4.4702 4.4702 4.4947 4.4947 4.9586 4.9586 5.0086 5.0086 5.2717 5.2717 5.2854 5.2854 5.8998 5.8998 5.9023 5.9023 8.4136 8.4136 8.4269 8.4269 8.8708 8.8708 8.8872 8.8872 9.2352 9.2352 9.2645 9.2645 9.4111 9.4111 9.4362 9.4362 9.9956 9.9956 10.0322 10.0322 10.1105 10.1108 k = 0.5000-0.0902 0.5486 ( 11230 PWs) bands (ev): -5.5798 -5.5798 -5.5797 -5.5797 -5.1962 -5.1962 -5.1931 -5.1931 -4.9877 -4.9877 -4.9709 -4.9709 -4.9012 -4.9012 -4.8888 -4.8888 2.6178 2.6178 2.6384 2.6384 2.8554 2.8554 2.8555 2.8555 3.0661 3.0661 3.0672 3.0672 3.4037 3.4037 3.4075 3.4075 3.4971 3.4971 3.5218 3.5218 3.9484 3.9484 3.9635 3.9635 4.0712 4.0712 4.0946 4.0946 4.2438 4.2438 4.2689 4.2689 4.4580 4.4580 4.4783 4.4783 4.9741 4.9741 5.0252 5.0252 5.3124 5.3124 5.3271 5.3271 5.8512 5.8512 5.8538 5.8538 8.4177 8.4177 8.4315 8.4315 8.8925 8.8925 8.9093 8.9093 9.2579 9.2579 9.2883 9.2883 9.3730 9.3730 9.3985 9.3985 9.9963 9.9963 10.0327 10.0327 10.1086 10.1088 k = 0.5000-0.0722 0.5613 ( 11226 PWs) bands (ev): -5.5766 -5.5766 -5.5766 -5.5766 -5.2046 -5.2046 -5.2014 -5.2014 -4.9868 -4.9868 -4.9698 -4.9698 -4.8970 -4.8970 -4.8845 -4.8845 2.6215 2.6215 2.6434 2.6434 2.8574 2.8574 2.8576 2.8576 3.0847 3.0847 3.0859 3.0859 3.3779 3.3779 3.3811 3.3811 3.4807 3.4807 3.5062 3.5062 3.9496 3.9496 3.9660 3.9660 4.0851 4.0851 4.1030 4.1030 4.2390 4.2390 4.2747 4.2747 4.4479 4.4479 4.4631 4.4631 4.9868 4.9868 5.0383 5.0383 5.3568 5.3568 5.3720 5.3720 5.8011 5.8011 5.8035 5.8035 8.4213 8.4213 8.4355 8.4355 8.9153 8.9153 8.9324 8.9324 9.2775 9.2775 9.3066 9.3066 9.3384 9.3384 9.3621 9.3621 9.9985 9.9985 10.0343 10.0343 10.1065 10.1084 k = 0.5000-0.0541 0.5741 ( 11222 PWs) bands (ev): -5.5740 -5.5740 -5.5739 -5.5739 -5.2113 -5.2113 -5.2080 -5.2080 -4.9862 -4.9862 -4.9690 -4.9690 -4.8936 -4.8936 -4.8810 -4.8810 2.6246 2.6246 2.6475 2.6475 2.8591 2.8591 2.8597 2.8597 3.1024 3.1024 3.1038 3.1038 3.3543 3.3543 3.3570 3.3570 3.4676 3.4676 3.4936 3.4936 3.9496 3.9496 3.9673 3.9673 4.0998 4.0998 4.1111 4.1111 4.2319 4.2319 4.2794 4.2794 4.4403 4.4403 4.4501 4.4501 4.9965 4.9965 5.0480 5.0480 5.4035 5.4035 5.4193 5.4193 5.7504 5.7504 5.7523 5.7523 8.4242 8.4242 8.4387 8.4387 8.9379 8.9379 8.9550 8.9550 9.2933 9.2933 9.2964 9.2964 9.3287 9.3287 9.3313 9.3313 10.0014 10.0014 10.0365 10.0365 10.1044 10.1064 k = 0.5000-0.0361 0.5869 ( 11206 PWs) bands (ev): -5.5720 -5.5720 -5.5720 -5.5720 -5.2163 -5.2163 -5.2130 -5.2130 -4.9857 -4.9857 -4.9684 -4.9684 -4.8911 -4.8911 -4.8785 -4.8785 2.6269 2.6269 2.6506 2.6506 2.8605 2.8605 2.8614 2.8614 3.1177 3.1177 3.1194 3.1194 3.3344 3.3344 3.3368 3.3368 3.4579 3.4579 3.4843 3.4843 3.9492 3.9492 3.9678 3.9678 4.1138 4.1138 4.1179 4.1179 4.2235 4.2235 4.2828 4.2828 4.4351 4.4351 4.4400 4.4400 5.0034 5.0034 5.0548 5.0548 5.4504 5.4504 5.4676 5.4676 5.7009 5.7009 5.7015 5.7015 8.4264 8.4264 8.4411 8.4411 8.9581 8.9581 8.9750 8.9750 9.2697 9.2697 9.3006 9.3006 9.3051 9.3051 9.3418 9.3418 10.0044 10.0044 10.0386 10.0386 10.1023 10.1025 k = 0.5000-0.0180 0.5996 ( 11194 PWs) bands (ev): -5.5707 -5.5707 -5.5707 -5.5707 -5.2193 -5.2193 -5.2160 -5.2160 -4.9855 -4.9855 -4.9681 -4.9681 -4.8896 -4.8896 -4.8770 -4.8770 2.6283 2.6283 2.6525 2.6525 2.8614 2.8614 2.8625 2.8625 3.1286 3.1286 3.1305 3.1305 3.3208 3.3208 3.3229 3.3229 3.4520 3.4520 3.4786 3.4786 3.9487 3.9487 3.9679 3.9679 4.1225 4.1225 4.1245 4.1245 4.2162 4.2162 4.2848 4.2848 4.4321 4.4321 4.4336 4.4336 5.0074 5.0074 5.0587 5.0587 5.4925 5.4925 5.5129 5.5129 5.6546 5.6546 5.6574 5.6574 8.4277 8.4277 8.4426 8.4426 8.9727 8.9727 8.9893 8.9893 9.2503 9.2503 9.2815 9.2815 9.3121 9.3121 9.3489 9.3489 10.0065 10.0065 10.0401 10.0401 10.1011 10.1012 k = 0.5000-0.0000 0.6124 ( 11180 PWs) bands (ev): -5.5703 -5.5703 -5.5703 -5.5703 -5.2203 -5.2203 -5.2170 -5.2170 -4.9854 -4.9854 -4.9680 -4.9680 -4.8891 -4.8891 -4.8765 -4.8765 2.6288 2.6288 2.6531 2.6531 2.8617 2.8617 2.8629 2.8629 3.1327 3.1327 3.1346 3.1346 3.3158 3.3158 3.3178 3.3178 3.4500 3.4500 3.4767 3.4767 3.9486 3.9486 3.9680 3.9680 4.1241 4.1241 4.1287 4.1287 4.2131 4.2131 4.2854 4.2854 4.4311 4.4311 4.4314 4.4314 5.0088 5.0088 5.0600 5.0600 5.5132 5.5132 5.5378 5.5378 5.6292 5.6292 5.6363 5.6363 8.4282 8.4282 8.4430 8.4430 8.9782 8.9782 8.9946 8.9946 9.2432 9.2432 9.2746 9.2746 9.3145 9.3145 9.3513 9.3513 10.0073 10.0073 10.0407 10.0407 10.1005 10.1006 k = 0.5000-0.0000 0.6124 ( 11180 PWs) bands (ev): -5.5703 -5.5703 -5.5703 -5.5703 -5.2203 -5.2203 -5.2170 -5.2170 -4.9854 -4.9854 -4.9680 -4.9680 -4.8891 -4.8891 -4.8765 -4.8765 2.6288 2.6288 2.6531 2.6531 2.8617 2.8617 2.8629 2.8629 3.1327 3.1327 3.1346 3.1346 3.3158 3.3158 3.3178 3.3178 3.4500 3.4500 3.4767 3.4767 3.9486 3.9486 3.9680 3.9680 4.1241 4.1241 4.1287 4.1287 4.2131 4.2131 4.2854 4.2854 4.4311 4.4311 4.4314 4.4314 5.0088 5.0088 5.0600 5.0600 5.5132 5.5132 5.5378 5.5378 5.6292 5.6292 5.6363 5.6363 8.4282 8.4282 8.4430 8.4430 8.9782 8.9782 8.9946 8.9946 9.2432 9.2432 9.2746 9.2746 9.3145 9.3145 9.3513 9.3513 10.0073 10.0073 10.0407 10.0407 10.1005 10.1008 k = 0.4886 0.0197 0.6124 ( 11203 PWs) bands (ev): -5.5837 -5.5837 -5.5575 -5.5575 -5.2230 -5.2230 -5.2129 -5.2129 -4.9872 -4.9872 -4.9664 -4.9664 -4.8895 -4.8895 -4.8764 -4.8764 2.6210 2.6210 2.6591 2.6591 2.8574 2.8574 2.8682 2.8682 3.1040 3.1040 3.1578 3.1578 3.3155 3.3155 3.3239 3.3239 3.4493 3.4493 3.4785 3.4785 3.9450 3.9450 3.9702 3.9702 4.1109 4.1109 4.1380 4.1380 4.2171 4.2171 4.2865 4.2865 4.4254 4.4254 4.4404 4.4404 5.0045 5.0045 5.0628 5.0628 5.4972 5.4972 5.5230 5.5230 5.6324 5.6324 5.6636 5.6636 8.4160 8.4160 8.4558 8.4558 8.9657 8.9657 8.9991 8.9991 9.2374 9.2374 9.2898 9.2898 9.3031 9.3031 9.3622 9.3622 9.9989 9.9989 10.0363 10.0363 10.1011 10.1012 k = 0.4773 0.0394 0.6124 ( 11206 PWs) bands (ev): -5.5961 -5.5961 -5.5472 -5.5472 -5.2264 -5.2264 -5.2054 -5.2054 -4.9916 -4.9916 -4.9626 -4.9626 -4.8907 -4.8907 -4.8765 -4.8765 2.6084 2.6084 2.6667 2.6667 2.8555 2.8555 2.8728 2.8728 3.0696 3.0696 3.1798 3.1798 3.3219 3.3219 3.3308 3.3308 3.4481 3.4481 3.4828 3.4828 3.9376 3.9376 3.9742 3.9742 4.0938 4.0938 4.1408 4.1408 4.2300 4.2300 4.2903 4.2903 4.4236 4.4236 4.4525 4.4525 4.9935 4.9935 5.0697 5.0697 5.4549 5.4549 5.5035 5.5035 5.6378 5.6378 5.7182 5.7182 8.3971 8.3971 8.4762 8.4762 8.9507 8.9507 8.9936 8.9936 9.2254 9.2254 9.2802 9.2802 9.3282 9.3282 9.3821 9.3821 9.9764 9.9764 10.0292 10.0292 10.1047 10.1050 k = 0.4659 0.0590 0.6124 ( 11217 PWs) bands (ev): -5.6074 -5.6074 -5.5391 -5.5391 -5.2296 -5.2296 -5.1957 -5.1957 -4.9972 -4.9972 -4.9579 -4.9579 -4.8925 -4.8925 -4.8767 -4.8767 2.5958 2.5958 2.6712 2.6712 2.8563 2.8563 2.8765 2.8765 3.0350 3.0350 3.1993 3.1993 3.3311 3.3311 3.3384 3.3384 3.4478 3.4478 3.4881 3.4881 3.9293 3.9293 3.9781 3.9781 4.0748 4.0748 4.1364 4.1364 4.2471 4.2471 4.2982 4.2982 4.4249 4.4249 4.4691 4.4691 4.9790 4.9790 5.0783 5.0783 5.4022 5.4022 5.4861 5.4861 5.6453 5.6453 5.7768 5.7768 8.3766 8.3766 8.4995 8.4995 8.9382 8.9382 8.9797 8.9797 9.2132 9.2132 9.2543 9.2543 9.3764 9.3764 9.4036 9.4036 9.9479 9.9479 10.0207 10.0207 10.0963 10.0963 k = 0.4545 0.0787 0.6124 ( 11223 PWs) bands (ev): -5.6175 -5.6175 -5.5329 -5.5329 -5.2324 -5.2324 -5.1843 -5.1843 -5.0035 -5.0035 -4.9531 -4.9531 -4.8946 -4.8946 -4.8771 -4.8771 2.5843 2.5843 2.6727 2.6727 2.8592 2.8592 2.8794 2.8794 3.0025 3.0025 3.2156 3.2156 3.3405 3.3405 3.3471 3.3471 3.4490 3.4490 3.4936 3.4936 3.9208 3.9208 3.9818 3.9818 4.0544 4.0544 4.1285 4.1285 4.2624 4.2624 4.3101 4.3101 4.4282 4.4282 4.4921 4.4921 4.9628 4.9628 5.0868 5.0868 5.3462 5.3462 5.4693 5.4693 5.6535 5.6535 5.8340 5.8340 8.3552 8.3552 8.5250 8.5250 8.9282 8.9282 8.9621 8.9621 9.2021 9.2021 9.2265 9.2265 9.4208 9.4208 9.4332 9.4332 9.9186 9.9186 10.0102 10.0102 10.0786 10.0786 k = 0.4432 0.0984 0.6124 ( 11226 PWs) bands (ev): -5.6263 -5.6263 -5.5284 -5.5284 -5.2349 -5.2349 -5.1718 -5.1718 -5.0103 -5.0103 -4.9482 -4.9482 -4.8971 -4.8971 -4.8778 -4.8778 2.5741 2.5741 2.6720 2.6720 2.8631 2.8631 2.8814 2.8814 2.9735 2.9735 3.2288 3.2288 3.3491 3.3491 3.3567 3.3567 3.4520 3.4520 3.4989 3.4989 3.9127 3.9127 3.9852 3.9852 4.0336 4.0336 4.1193 4.1193 4.2740 4.2740 4.3236 4.3236 4.4327 4.4327 4.5226 4.5226 4.9459 4.9459 5.0947 5.0947 5.2894 5.2894 5.4537 5.4537 5.6616 5.6616 5.8875 5.8875 8.3338 8.3338 8.5519 8.5519 8.9202 8.9202 8.9444 8.9444 9.1916 9.1916 9.1983 9.1983 9.4417 9.4417 9.4863 9.4863 9.8908 9.8908 9.9969 9.9969 10.0566 10.0566 k = 0.4318 0.1181 0.6124 ( 11224 PWs) bands (ev): -5.6339 -5.6339 -5.5253 -5.5253 -5.2369 -5.2369 -5.1587 -5.1587 -5.0177 -5.0177 -4.9434 -4.9434 -4.8999 -4.8999 -4.8785 -4.8785 2.5653 2.5653 2.6699 2.6699 2.8671 2.8671 2.8829 2.8829 2.9489 2.9489 3.2388 3.2388 3.3565 3.3565 3.3664 3.3664 3.4566 3.4566 3.5037 3.5037 3.9054 3.9054 3.9879 3.9879 4.0139 4.0139 4.1102 4.1102 4.2833 4.2833 4.3354 4.3354 4.4375 4.4375 4.5603 4.5603 4.9286 4.9286 5.1014 5.1014 5.2338 5.2338 5.4395 5.4395 5.6689 5.6689 5.9356 5.9356 8.3133 8.3133 8.5794 8.5794 8.9124 8.9124 8.9297 8.9297 9.1672 9.1672 9.1853 9.1853 9.4590 9.4590 9.5408 9.5408 9.8655 9.8655 9.9792 9.9792 10.0349 10.0349 k = 0.4205 0.1378 0.6124 ( 11224 PWs) bands (ev): -5.6401 -5.6401 -5.5231 -5.5231 -5.2386 -5.2386 -5.1455 -5.1455 -5.0254 -5.0254 -4.9387 -4.9387 -4.9029 -4.9029 -4.8794 -4.8794 2.5579 2.5579 2.6674 2.6674 2.8701 2.8701 2.8838 2.8838 2.9293 2.9293 3.2461 3.2461 3.3625 3.3625 3.3756 3.3756 3.4623 3.4623 3.5077 3.5077 3.8991 3.8991 3.9870 3.9870 3.9990 3.9990 4.1018 4.1018 4.2911 4.2911 4.3443 4.3443 4.4423 4.4423 4.6040 4.6040 4.9104 4.9104 5.1056 5.1056 5.1819 5.1819 5.4273 5.4273 5.6753 5.6753 5.9771 5.9771 8.2946 8.2946 8.6064 8.6064 8.9024 8.9024 8.9212 8.9212 9.1388 9.1388 9.1787 9.1787 9.4738 9.4738 9.5939 9.5939 9.8435 9.8435 9.9555 9.9555 10.0172 10.0172 k = 0.4091 0.1575 0.6124 ( 11214 PWs) bands (ev): -5.6450 -5.6450 -5.5217 -5.5217 -5.2399 -5.2399 -5.1330 -5.1330 -5.0332 -5.0332 -4.9344 -4.9344 -4.9059 -4.9059 -4.8801 -4.8801 2.5522 2.5522 2.6649 2.6649 2.8713 2.8713 2.8842 2.8842 2.9157 2.9157 3.2512 3.2512 3.3669 3.3669 3.3837 3.3837 3.4682 3.4682 3.5110 3.5110 3.8941 3.8941 3.9757 3.9757 3.9968 3.9968 4.0948 4.0948 4.2973 4.2973 4.3504 4.3504 4.4464 4.4464 4.6516 4.6516 4.8903 4.8903 5.1021 5.1021 5.1417 5.1417 5.4172 5.4172 5.6804 5.6804 6.0107 6.0107 8.2788 8.2788 8.6313 8.6313 8.8917 8.8917 8.9174 8.9174 9.1126 9.1126 9.1737 9.1737 9.4857 9.4857 9.6447 9.6447 9.8252 9.8252 9.9267 9.9267 10.0047 10.0047 k = 0.3977 0.1771 0.6124 ( 11215 PWs) bands (ev): -5.6485 -5.6485 -5.5208 -5.5208 -5.2408 -5.2408 -5.1220 -5.1220 -5.0406 -5.0406 -4.9305 -4.9305 -4.9089 -4.9089 -4.8808 -4.8808 2.5480 2.5480 2.6629 2.6629 2.8703 2.8703 2.8841 2.8841 2.9080 2.9080 3.2544 3.2544 3.3698 3.3698 3.3902 3.3902 3.4733 3.4733 3.5133 3.5133 3.8905 3.8905 3.9640 3.9640 3.9980 3.9980 4.0895 4.0895 4.3020 4.3020 4.3544 4.3544 4.4497 4.4497 4.7009 4.7009 4.8659 4.8659 5.0792 5.0792 5.1286 5.1286 5.4098 5.4098 5.6842 5.6842 6.0355 6.0355 8.2668 8.2668 8.6519 8.6519 8.8831 8.8831 8.9157 8.9157 9.0910 9.0910 9.1702 9.1702 9.4943 9.4943 9.6920 9.6920 9.8103 9.8103 9.8957 9.8957 9.9964 9.9964 k = 0.3864 0.1968 0.6124 ( 11205 PWs) bands (ev): -5.6506 -5.6506 -5.5204 -5.5204 -5.2414 -5.2414 -5.1141 -5.1141 -5.0463 -5.0463 -4.9275 -4.9275 -4.9113 -4.9113 -4.8812 -4.8812 2.5455 2.5455 2.6616 2.6616 2.8684 2.8684 2.8840 2.8840 2.9049 2.9049 3.2562 3.2562 3.3715 3.3715 3.3943 3.3943 3.4768 3.4768 3.5147 3.5147 3.8883 3.8883 3.9563 3.9563 3.9990 3.9990 4.0862 4.0862 4.3049 4.3049 4.3565 4.3565 4.4517 4.4517 4.7497 4.7497 4.8346 4.8346 5.0561 5.0561 5.1277 5.1277 5.4051 5.4051 5.6865 5.6865 6.0507 6.0507 8.2593 8.2593 8.6658 8.6658 8.8777 8.8777 8.9150 8.9150 9.0765 9.0765 9.1682 9.1682 9.4997 9.4997 9.7334 9.7334 9.7969 9.7969 9.8682 9.8682 9.9916 9.9916 k = 0.3750 0.2165 0.6124 ( 11202 PWs) bands (ev): -5.6513 -5.6513 -5.5202 -5.5202 -5.2416 -5.2416 -5.1110 -5.1110 -5.0485 -5.0485 -4.9262 -4.9262 -4.9124 -4.9124 -4.8813 -4.8813 2.5447 2.5447 2.6611 2.6611 2.8675 2.8675 2.8839 2.8839 2.9041 2.9041 3.2568 3.2568 3.3720 3.3720 3.3957 3.3957 3.4780 3.4780 3.5152 3.5152 3.8876 3.8876 3.9536 3.9536 3.9994 3.9994 4.0851 4.0851 4.3059 4.3059 4.3572 4.3572 4.4525 4.4525 4.7930 4.7930 4.7976 4.7976 5.0476 5.0476 5.1278 5.1278 5.4036 5.4036 5.6872 5.6872 6.0558 6.0558 8.2567 8.2567 8.6708 8.6708 8.8759 8.8759 8.9148 8.9148 9.0714 9.0714 9.1675 9.1675 9.5014 9.5014 9.7571 9.7571 9.7856 9.7856 9.8559 9.8559 9.9900 9.9900 k = 0.3750 0.2165 0.6124 ( 11202 PWs) bands (ev): -5.6513 -5.6513 -5.5202 -5.5202 -5.2416 -5.2416 -5.1110 -5.1110 -5.0485 -5.0485 -4.9262 -4.9262 -4.9124 -4.9124 -4.8813 -4.8813 2.5447 2.5447 2.6611 2.6611 2.8675 2.8675 2.8839 2.8839 2.9041 2.9041 3.2568 3.2568 3.3720 3.3720 3.3957 3.3957 3.4780 3.4780 3.5152 3.5152 3.8876 3.8876 3.9536 3.9536 3.9994 3.9994 4.0851 4.0851 4.3059 4.3059 4.3572 4.3572 4.4525 4.4525 4.7930 4.7930 4.7976 4.7976 5.0476 5.0476 5.1278 5.1278 5.4036 5.4036 5.6872 5.6872 6.0558 6.0558 8.2567 8.2567 8.6708 8.6708 8.8759 8.8759 8.9148 8.9148 9.0714 9.0714 9.1675 9.1675 9.5014 9.5014 9.7571 9.7571 9.7856 9.7856 9.8559 9.8559 9.9900 9.9900 k = 0.3636 0.2099 0.5938 ( 11214 PWs) bands (ev): -5.6656 -5.6656 -5.5044 -5.5044 -5.2488 -5.2488 -5.1155 -5.1155 -5.0509 -5.0509 -4.9229 -4.9229 -4.9078 -4.9078 -4.8749 -4.8749 2.5241 2.5241 2.6737 2.6737 2.8517 2.8517 2.8992 2.8992 2.9124 2.9124 3.3102 3.3102 3.3406 3.3406 3.3635 3.3635 3.4485 3.4485 3.5006 3.5006 3.8975 3.8975 3.9361 3.9361 3.9986 3.9986 4.0971 4.0971 4.3198 4.3198 4.3840 4.3840 4.4427 4.4427 4.7907 4.7907 4.8341 4.8341 5.0433 5.0433 5.1528 5.1528 5.4400 5.4400 5.6287 5.6287 6.0375 6.0375 8.2528 8.2528 8.6961 8.6961 8.9038 8.9038 8.9294 8.9294 9.0777 9.0777 9.0999 9.0999 9.5416 9.5416 9.7567 9.7567 9.7778 9.7778 9.8345 9.8345 9.9723 9.9723 k = 0.3523 0.2034 0.5753 ( 11226 PWs) bands (ev): -5.6824 -5.6824 -5.4876 -5.4876 -5.2532 -5.2532 -5.1196 -5.1196 -5.0534 -5.0534 -4.9196 -4.9196 -4.9039 -4.9039 -4.8688 -4.8688 2.4997 2.4997 2.6867 2.6867 2.8336 2.8336 2.9118 2.9118 2.9241 2.9241 3.3088 3.3088 3.3241 3.3241 3.3755 3.3755 3.4198 3.4198 3.4885 3.4885 3.9054 3.9054 3.9230 3.9230 3.9992 3.9992 4.1078 4.1078 4.3323 4.3323 4.4076 4.4076 4.4376 4.4376 4.7870 4.7870 4.8730 4.8730 5.0389 5.0389 5.1713 5.1713 5.4741 5.4741 5.5788 5.5788 6.0188 6.0188 8.2520 8.2520 8.7169 8.7169 8.9293 8.9293 8.9480 8.9480 9.0307 9.0307 9.0848 9.0848 9.5594 9.5594 9.7485 9.7485 9.7967 9.7967 9.8202 9.8202 9.9543 9.9543 k = 0.3409 0.1968 0.5567 ( 11218 PWs) bands (ev): -5.7017 -5.7017 -5.4698 -5.4698 -5.2548 -5.2548 -5.1232 -5.1232 -5.0560 -5.0560 -4.9163 -4.9163 -4.9009 -4.9009 -4.8630 -4.8630 2.4718 2.4718 2.6999 2.6999 2.8135 2.8135 2.9196 2.9196 2.9391 2.9391 3.2785 3.2785 3.2941 3.2941 3.3921 3.3921 3.4361 3.4361 3.4789 3.4789 3.9012 3.9012 3.9253 3.9253 4.0011 4.0011 4.1177 4.1177 4.3433 4.3433 4.4098 4.4098 4.4543 4.4543 4.7823 4.7823 4.9133 4.9133 5.0359 5.0359 5.1785 5.1785 5.5034 5.5034 5.5447 5.5447 5.9999 5.9999 8.2542 8.2542 8.7342 8.7342 8.9364 8.9364 8.9603 8.9603 8.9838 8.9838 9.0927 9.0927 9.5503 9.5503 9.7546 9.7546 9.8131 9.8131 9.8248 9.8248 9.9362 9.9362 k = 0.3295 0.1903 0.5381 ( 11232 PWs) bands (ev): -5.7232 -5.7232 -5.4512 -5.4512 -5.2538 -5.2538 -5.1263 -5.1263 -5.0589 -5.0589 -4.9131 -4.9131 -4.8986 -4.8986 -4.8575 -4.8575 2.4408 2.4408 2.7130 2.7130 2.7916 2.7916 2.9246 2.9246 2.9519 2.9519 3.2498 3.2498 3.2672 3.2672 3.3656 3.3656 3.4714 3.4714 3.5014 3.5014 3.8915 3.8915 3.9363 3.9363 4.0043 4.0043 4.1271 4.1271 4.3526 4.3526 4.3991 4.3991 4.4834 4.4834 4.7762 4.7762 4.9545 4.9545 5.0354 5.0354 5.1701 5.1701 5.5118 5.5118 5.5467 5.5467 5.9813 5.9813 8.2593 8.2593 8.7491 8.7491 8.8886 8.8886 8.9331 8.9331 9.0264 9.0264 9.1015 9.1015 9.5262 9.5262 9.7531 9.7531 9.8343 9.8343 9.8497 9.8497 9.9189 9.9189 k = 0.3182 0.1837 0.5196 ( 11244 PWs) bands (ev): -5.7465 -5.7465 -5.4318 -5.4318 -5.2505 -5.2505 -5.1289 -5.1289 -5.0618 -5.0618 -4.9102 -4.9102 -4.8968 -4.8968 -4.8525 -4.8525 2.4069 2.4069 2.7255 2.7255 2.7682 2.7682 2.9274 2.9274 2.9585 2.9585 3.2230 3.2230 3.2481 3.2481 3.3402 3.3402 3.4664 3.4664 3.5694 3.5694 3.8836 3.8836 3.9491 3.9491 4.0087 4.0087 4.1364 4.1364 4.3603 4.3603 4.3853 4.3853 4.5146 4.5146 4.7688 4.7688 4.9961 4.9961 5.0382 5.0382 5.1462 5.1462 5.5137 5.5137 5.5708 5.5708 5.9630 5.9630 8.2672 8.2672 8.7621 8.7621 8.8168 8.8168 8.9205 8.9205 9.0720 9.0720 9.1112 9.1112 9.4987 9.4987 9.7433 9.7433 9.8567 9.8567 9.8833 9.8833 9.9058 9.9058 k = 0.3068 0.1771 0.5010 ( 11234 PWs) bands (ev): -5.7715 -5.7715 -5.4117 -5.4117 -5.2451 -5.2451 -5.1308 -5.1308 -5.0648 -5.0648 -4.9076 -4.9076 -4.8952 -4.8952 -4.8478 -4.8478 2.3706 2.3706 2.7347 2.7347 2.7461 2.7461 2.9272 2.9272 2.9552 2.9552 3.1989 3.1989 3.2408 3.2408 3.3159 3.3159 3.4637 3.4637 3.6396 3.6396 3.8783 3.8783 3.9626 3.9626 4.0146 4.0146 4.1457 4.1457 4.3659 4.3659 4.3697 4.3697 4.5459 4.5459 4.7602 4.7602 5.0341 5.0341 5.0483 5.0483 5.1119 5.1119 5.5272 5.5272 5.5949 5.5949 5.9454 5.9454 8.2779 8.2779 8.7404 8.7404 8.7786 8.7786 8.8981 8.8981 9.1172 9.1172 9.1240 9.1240 9.4735 9.4735 9.7315 9.7315 9.8613 9.8613 9.9059 9.9059 9.9224 9.9224 k = 0.2955 0.1706 0.4825 ( 11222 PWs) bands (ev): -5.7976 -5.7976 -5.3912 -5.3912 -5.2381 -5.2381 -5.1321 -5.1321 -5.0680 -5.0680 -4.9059 -4.9059 -4.8934 -4.8934 -4.8436 -4.8436 2.3321 2.3321 2.7155 2.7155 2.7498 2.7498 2.9230 2.9230 2.9415 2.9415 3.1785 3.1785 3.2464 3.2464 3.2927 3.2927 3.4632 3.4632 3.7107 3.7107 3.8755 3.8755 3.9767 3.9767 4.0224 4.0224 4.1551 4.1551 4.3513 4.3513 4.3709 4.3709 4.5769 4.5769 4.7506 4.7506 5.0508 5.0508 5.0660 5.0660 5.0902 5.0902 5.5491 5.5491 5.6165 5.6165 5.9287 5.9287 8.2910 8.2910 8.6678 8.6678 8.7908 8.7908 8.8660 8.8660 9.1323 9.1323 9.1690 9.1690 9.4528 9.4528 9.7196 9.7196 9.8473 9.8473 9.9280 9.9280 9.9527 9.9527 k = 0.2841 0.1640 0.4639 ( 11218 PWs) bands (ev): -5.8246 -5.8246 -5.3703 -5.3703 -5.2298 -5.2298 -5.1326 -5.1326 -5.0712 -5.0712 -4.9052 -4.9052 -4.8910 -4.8910 -4.8398 -4.8398 2.2919 2.2919 2.6890 2.6890 2.7578 2.7578 2.9092 2.9092 2.9247 2.9247 3.1627 3.1627 3.2628 3.2628 3.2707 3.2707 3.4650 3.4650 3.7807 3.7807 3.8752 3.8752 3.9910 3.9910 4.0334 4.0334 4.1648 4.1648 4.3317 4.3317 4.3739 4.3739 4.6072 4.6072 4.7407 4.7407 5.0287 5.0287 5.0651 5.0651 5.1289 5.1289 5.5761 5.5761 5.6353 5.6353 5.9131 5.9131 8.3063 8.3063 8.5939 8.5939 8.8030 8.8030 8.8265 8.8265 9.1444 9.1444 9.2183 9.2183 9.4369 9.4369 9.7081 9.7081 9.8284 9.8284 9.9543 9.9543 9.9752 9.9752 k = 0.2727 0.1575 0.4454 ( 11224 PWs) bands (ev): -5.8522 -5.8522 -5.3493 -5.3493 -5.2204 -5.2204 -5.1322 -5.1322 -5.0745 -5.0745 -4.9053 -4.9053 -4.8881 -4.8881 -4.8365 -4.8365 2.2501 2.2501 2.6616 2.6616 2.7624 2.7624 2.8803 2.8803 2.9140 2.9140 3.1517 3.1517 3.2496 3.2496 3.2876 3.2876 3.4690 3.4690 3.8456 3.8456 3.8772 3.8772 4.0051 4.0051 4.0509 4.0509 4.1747 4.1747 4.3107 4.3107 4.3755 4.3755 4.6364 4.6364 4.7311 4.7311 4.9904 4.9904 5.0826 5.0826 5.1709 5.1709 5.6056 5.6056 5.6512 5.6512 5.8990 5.8990 8.3235 8.3235 8.5198 8.5198 8.7724 8.7724 8.8230 8.8230 9.1572 9.1572 9.2681 9.2681 9.4252 9.4252 9.6972 9.6972 9.8081 9.8081 9.9792 9.9792 9.9901 9.9901 k = 0.2614 0.1509 0.4268 ( 11236 PWs) bands (ev): -5.8801 -5.8801 -5.3283 -5.3283 -5.2104 -5.2104 -5.1309 -5.1309 -5.0778 -5.0778 -4.9061 -4.9061 -4.8847 -4.8847 -4.8336 -4.8336 2.2072 2.2072 2.6339 2.6339 2.7617 2.7617 2.8449 2.8449 2.9057 2.9057 3.1451 3.1451 3.2298 3.2298 3.3174 3.3174 3.4752 3.4752 3.8801 3.8801 3.8994 3.8994 4.0183 4.0183 4.0814 4.0814 4.1847 4.1847 4.2893 4.2893 4.3760 4.3760 4.6644 4.6644 4.7224 4.7224 4.9554 4.9554 5.1037 5.1037 5.2127 5.2127 5.6363 5.6363 5.6642 5.6642 5.8865 5.8865 8.3423 8.3423 8.4457 8.4457 8.7165 8.7165 8.8395 8.8395 9.1706 9.1706 9.3179 9.3179 9.4167 9.4167 9.6870 9.6870 9.7871 9.7871 9.9860 9.9860 10.0131 10.0131 k = 0.2500 0.1443 0.4082 ( 11206 PWs) bands (ev): -5.9081 -5.9081 -5.3076 -5.3076 -5.1999 -5.1999 -5.1286 -5.1286 -5.0812 -5.0812 -4.9071 -4.9071 -4.8812 -4.8812 -4.8313 -4.8313 2.1634 2.1634 2.6062 2.6062 2.7538 2.7538 2.8068 2.8068 2.9004 2.9004 3.1419 3.1419 3.2113 3.2113 3.3504 3.3504 3.4834 3.4834 3.8854 3.8854 3.9339 3.9339 4.0291 4.0291 4.1307 4.1307 4.1946 4.1946 4.2692 4.2692 4.3756 4.3756 4.6908 4.6908 4.7153 4.7153 4.9248 4.9248 5.1286 5.1286 5.2535 5.2535 5.6671 5.6671 5.6744 5.6744 5.8760 5.8760 8.3605 8.3605 8.3736 8.3736 8.6546 8.6546 8.8582 8.8582 9.1845 9.1845 9.3668 9.3668 9.4108 9.4108 9.6778 9.6778 9.7658 9.7658 9.9782 9.9782 10.0318 10.0318 k = 0.2386 0.1378 0.3897 ( 11238 PWs) bands (ev): -5.9360 -5.9360 -5.2875 -5.2875 -5.1894 -5.1894 -5.1250 -5.1250 -5.0846 -5.0846 -4.9080 -4.9080 -4.8775 -4.8775 -4.8294 -4.8294 2.1192 2.1192 2.5787 2.5787 2.7381 2.7381 2.7674 2.7674 2.8992 2.8992 3.1410 3.1410 3.1940 3.1940 3.3855 3.3855 3.4936 3.4936 3.8915 3.8915 3.9520 3.9520 4.0358 4.0358 4.1962 4.1962 4.2039 4.2039 4.2534 4.2534 4.3744 4.3744 4.7081 4.7081 4.7178 4.7178 4.8987 4.8987 5.1571 5.1571 5.2930 5.2930 5.6819 5.6819 5.6978 5.6978 5.8678 5.8678 8.2975 8.2975 8.3839 8.3839 8.5885 8.5885 8.8787 8.8787 9.1987 9.1987 9.4001 9.4001 9.4210 9.4210 9.6696 9.6696 9.7445 9.7445 9.9611 9.9611 9.9964 9.9964 k = 0.2273 0.1312 0.3711 ( 11248 PWs) bands (ev): -5.9635 -5.9635 -5.2684 -5.2684 -5.1790 -5.1790 -5.1201 -5.1201 -5.0879 -5.0879 -4.9087 -4.9087 -4.8738 -4.8738 -4.8279 -4.8279 2.0747 2.0747 2.5516 2.5516 2.7153 2.7153 2.7281 2.7281 2.9019 2.9019 3.1413 3.1413 3.1782 3.1782 3.4214 3.4214 3.5057 3.5057 3.8980 3.8980 3.9600 3.9600 4.0364 4.0364 4.2115 4.2115 4.2438 4.2438 4.2724 4.2724 4.3730 4.3730 4.7068 4.7068 4.7398 4.7398 4.8771 4.8771 5.1893 5.1893 5.3307 5.3307 5.6870 5.6870 5.7275 5.7275 5.8623 5.8623 8.2247 8.2247 8.4044 8.4044 8.5195 8.5195 8.9010 8.9010 9.2131 9.2131 9.3975 9.3975 9.4660 9.4660 9.6630 9.6630 9.7236 9.7236 9.9367 9.9367 9.9645 9.9645 k = 0.2159 0.1247 0.3526 ( 11246 PWs) bands (ev): -5.9906 -5.9906 -5.2505 -5.2505 -5.1692 -5.1692 -5.1136 -5.1136 -5.0911 -5.0911 -4.9090 -4.9090 -4.8700 -4.8700 -4.8269 -4.8269 2.0304 2.0304 2.5251 2.5251 2.6844 2.6844 2.6924 2.6924 2.9072 2.9072 3.1417 3.1417 3.1641 3.1641 3.4576 3.4576 3.5196 3.5196 3.9047 3.9047 3.9621 3.9621 4.0300 4.0300 4.2172 4.2172 4.2459 4.2459 4.3502 4.3502 4.3715 4.3715 4.7082 4.7082 4.7609 4.7609 4.8596 4.8596 5.2250 5.2250 5.3664 5.3664 5.6899 5.6899 5.7561 5.7561 5.8599 5.8599 8.1525 8.1525 8.4183 8.4183 8.4547 8.4547 8.9249 8.9249 9.2272 9.2272 9.3925 9.3925 9.5108 9.5108 9.6589 9.6589 9.7037 9.7037 9.9083 9.9083 9.9349 9.9349 k = 0.2045 0.1181 0.3340 ( 11248 PWs) bands (ev): -6.0170 -6.0170 -5.2343 -5.2343 -5.1600 -5.1600 -5.1055 -5.1055 -5.0940 -5.0940 -4.9085 -4.9085 -4.8664 -4.8664 -4.8264 -4.8264 1.9864 1.9864 2.4993 2.4993 2.6467 2.6467 2.6609 2.6609 2.9140 2.9140 3.1404 3.1404 3.1531 3.1531 3.4935 3.4935 3.5351 3.5351 3.9110 3.9110 3.9605 3.9605 4.0170 4.0170 4.2244 4.2244 4.2540 4.2540 4.3700 4.3700 4.4284 4.4284 4.7146 4.7146 4.7799 4.7799 4.8458 4.8458 5.2643 5.2643 5.3996 5.3996 5.6907 5.6907 5.7828 5.7828 5.8612 5.8612 8.0813 8.0813 8.3663 8.3663 8.4531 8.4531 8.9501 8.9501 9.2407 9.2407 9.3868 9.3868 9.5506 9.5506 9.6590 9.6590 9.6863 9.6863 9.8793 9.8793 9.9059 9.9059 k = 0.1932 0.1115 0.3155 ( 11249 PWs) bands (ev): -6.0426 -6.0426 -5.2199 -5.2199 -5.1518 -5.1518 -5.0996 -5.0996 -5.0928 -5.0928 -4.9072 -4.9072 -4.8628 -4.8628 -4.8262 -4.8262 1.9432 1.9432 2.4743 2.4743 2.6087 2.6087 2.6287 2.6287 2.9215 2.9215 3.1337 3.1337 3.1482 3.1482 3.5284 3.5284 3.5524 3.5524 3.9164 3.9164 3.9562 3.9562 3.9998 3.9998 4.2350 4.2350 4.2649 4.2649 4.3693 4.3693 4.5021 4.5021 4.7285 4.7285 4.7965 4.7965 4.8356 4.8356 5.3070 5.3070 5.4300 5.4300 5.6899 5.6899 5.8071 5.8071 5.8670 5.8670 8.0112 8.0112 8.2915 8.2915 8.4715 8.4715 8.9764 8.9764 9.2532 9.2532 9.3805 9.3805 9.5800 9.5800 9.6592 9.6592 9.6811 9.6811 9.8512 9.8512 9.8776 9.8776 k = 0.1818 0.1050 0.2969 ( 11253 PWs) bands (ev): -6.0674 -6.0674 -5.2074 -5.2074 -5.1447 -5.1447 -5.1016 -5.1016 -5.0819 -5.0819 -4.9050 -4.9050 -4.8593 -4.8593 -4.8263 -4.8263 1.9008 1.9008 2.4503 2.4503 2.5716 2.5716 2.5958 2.5958 2.9293 2.9293 3.1244 3.1244 3.1465 3.1465 3.5609 3.5609 3.5721 3.5721 3.9204 3.9204 3.9501 3.9501 3.9808 3.9808 4.2485 4.2485 4.2772 4.2772 4.3694 4.3694 4.5654 4.5654 4.7539 4.7539 4.8100 4.8100 4.8300 4.8300 5.3529 5.3529 5.4573 5.4573 5.6876 5.6876 5.8283 5.8283 5.8783 5.8783 7.9425 7.9425 8.2144 8.2144 8.4895 8.4895 9.0032 9.0032 9.2638 9.2638 9.3735 9.3735 9.5958 9.5958 9.6486 9.6486 9.7033 9.7033 9.8240 9.8240 9.8512 9.8512 k = 0.1705 0.0984 0.2784 ( 11245 PWs) bands (ev): -6.0911 -6.0911 -5.1967 -5.1967 -5.1389 -5.1389 -5.1043 -5.1043 -5.0685 -5.0685 -4.9017 -4.9017 -4.8559 -4.8559 -4.8267 -4.8267 1.8597 1.8597 2.4274 2.4274 2.5359 2.5359 2.5627 2.5627 2.9370 2.9370 3.1155 3.1155 3.1446 3.1446 3.5862 3.5862 3.5986 3.5986 3.9225 3.9225 3.9427 3.9427 3.9623 3.9623 4.2637 4.2637 4.2904 4.2904 4.3706 4.3706 4.6122 4.6122 4.7891 4.7891 4.8202 4.8202 4.8356 4.8356 5.4018 5.4018 5.4813 5.4813 5.6842 5.6842 5.8467 5.8467 5.8945 5.8945 7.8754 7.8754 8.1362 8.1362 8.5054 8.5054 9.0300 9.0300 9.2721 9.2721 9.3658 9.3658 9.6029 9.6029 9.6382 9.6382 9.7369 9.7369 9.7983 9.7983 9.8280 9.8280 k = 0.1591 0.0919 0.2598 ( 11253 PWs) bands (ev): -6.1137 -6.1137 -5.1875 -5.1875 -5.1344 -5.1344 -5.1071 -5.1071 -5.0540 -5.0540 -4.8975 -4.8975 -4.8527 -4.8527 -4.8274 -4.8274 1.8200 1.8200 2.4056 2.4056 2.5017 2.5017 2.5297 2.5297 2.9445 2.9445 3.1077 3.1077 3.1418 3.1418 3.6073 3.6073 3.6284 3.6284 3.9208 3.9208 3.9354 3.9354 3.9458 3.9458 4.2795 4.2795 4.3044 4.3044 4.3731 4.3731 4.6433 4.6433 4.8026 4.8026 4.8332 4.8332 4.8757 4.8757 5.4533 5.4533 5.5021 5.5021 5.6800 5.6800 5.8639 5.8639 5.9140 5.9140 7.8101 7.8101 8.0575 8.0575 8.5187 8.5187 9.0561 9.0561 9.2772 9.2772 9.3575 9.3575 9.6076 9.6076 9.6317 9.6317 9.7624 9.7624 9.7847 9.7847 9.8093 9.8093 k = 0.1477 0.0853 0.2412 ( 11231 PWs) bands (ev): -6.1351 -6.1351 -5.1796 -5.1796 -5.1313 -5.1313 -5.1096 -5.1096 -5.0389 -5.0389 -4.8923 -4.8923 -4.8496 -4.8496 -4.8281 -4.8281 1.7821 1.7821 2.3850 2.3850 2.4693 2.4693 2.4973 2.4973 2.9515 2.9515 3.1011 3.1011 3.1380 3.1380 3.6281 3.6281 3.6571 3.6571 3.9131 3.9131 3.9304 3.9304 3.9327 3.9327 4.2953 4.2953 4.3192 4.3192 4.3769 4.3769 4.6650 4.6650 4.8020 4.8020 4.8411 4.8411 4.9431 4.9431 5.5060 5.5060 5.5207 5.5207 5.6754 5.6754 5.8816 5.8816 5.9349 5.9349 7.7468 7.7468 7.9788 7.9788 8.5288 8.5288 9.0806 9.0806 9.2786 9.2786 9.3484 9.3484 9.6126 9.6126 9.6304 9.6304 9.7461 9.7461 9.7900 9.7900 9.8193 9.8193 k = 0.1364 0.0787 0.2227 ( 11235 PWs) bands (ev): -6.1553 -6.1553 -5.1727 -5.1727 -5.1293 -5.1293 -5.1119 -5.1119 -5.0238 -5.0238 -4.8864 -4.8864 -4.8468 -4.8468 -4.8289 -4.8289 1.7460 1.7460 2.3657 2.3657 2.4387 2.4387 2.4659 2.4659 2.9580 2.9580 3.0957 3.0957 3.1332 3.1332 3.6489 3.6489 3.6838 3.6838 3.9019 3.9019 3.9214 3.9214 3.9273 3.9273 4.3107 4.3107 4.3346 4.3346 4.3820 4.3820 4.6821 4.6821 4.8002 4.8002 4.8460 4.8460 5.0169 5.0169 5.5329 5.5329 5.5632 5.5632 5.6714 5.6714 5.9003 5.9003 5.9559 5.9559 7.6859 7.6859 7.9004 7.9004 8.5355 8.5355 9.1028 9.1028 9.2760 9.2760 9.3383 9.3383 9.6190 9.6190 9.6352 9.6352 9.7272 9.7272 9.7785 9.7785 9.8324 9.8324 k = 0.1250 0.0722 0.2041 ( 11233 PWs) bands (ev): -6.1741 -6.1741 -5.1666 -5.1666 -5.1283 -5.1283 -5.1140 -5.1140 -5.0090 -5.0090 -4.8801 -4.8801 -4.8442 -4.8442 -4.8297 -4.8297 1.7120 1.7120 2.3477 2.3477 2.4102 2.4102 2.4357 2.4357 2.9639 2.9639 3.0913 3.0913 3.1277 3.1277 3.6697 3.6697 3.7082 3.7082 3.8906 3.8906 3.9119 3.9119 3.9233 3.9233 4.3254 4.3254 4.3503 4.3503 4.3883 4.3883 4.6973 4.6973 4.7985 4.7985 4.8482 4.8482 5.0915 5.0915 5.5454 5.5454 5.6147 5.6147 5.6717 5.6717 5.9202 5.9202 5.9764 5.9764 7.6275 7.6275 7.8230 7.8230 8.5386 8.5386 9.1219 9.1219 9.2695 9.2695 9.3272 9.3272 9.6280 9.6280 9.6460 9.6460 9.7118 9.7118 9.7701 9.7701 9.8068 9.8068 k = 0.1136 0.0656 0.1856 ( 11225 PWs) bands (ev): -6.1914 -6.1914 -5.1612 -5.1612 -5.1282 -5.1282 -5.1159 -5.1159 -4.9950 -4.9950 -4.8734 -4.8734 -4.8419 -4.8419 -4.8302 -4.8302 1.6803 1.6803 2.3309 2.3309 2.3838 2.3838 2.4072 2.4072 2.9692 2.9692 3.0879 3.0879 3.1216 3.1216 3.6901 3.6901 3.7302 3.7302 3.8804 3.8804 3.9034 3.9034 3.9185 3.9185 4.3397 4.3397 4.3657 4.3657 4.3955 4.3955 4.7114 4.7114 4.7972 4.7972 4.8481 4.8481 5.1648 5.1648 5.5555 5.5555 5.6425 5.6425 5.6968 5.6968 5.9408 5.9408 5.9962 5.9962 7.5722 7.5722 7.7471 7.7471 8.5383 8.5383 9.1373 9.1373 9.2599 9.2599 9.3146 9.3146 9.6404 9.6404 9.6615 9.6615 9.7002 9.7002 9.7648 9.7648 9.7838 9.7838 k = 0.1023 0.0590 0.1670 ( 11235 PWs) bands (ev): -6.2073 -6.2073 -5.1563 -5.1563 -5.1285 -5.1285 -5.1176 -5.1176 -4.9820 -4.9820 -4.8667 -4.8667 -4.8399 -4.8399 -4.8303 -4.8303 1.6510 1.6510 2.3155 2.3155 2.3596 2.3596 2.3806 2.3806 2.9738 2.9738 3.0855 3.0855 3.1154 3.1154 3.7099 3.7099 3.7496 3.7496 3.8715 3.8715 3.8960 3.8960 3.9129 3.9129 4.3537 4.3537 4.3806 4.3806 4.4035 4.4035 4.7248 4.7248 4.7961 4.7961 4.8458 4.8458 5.2352 5.2352 5.5638 5.5638 5.6439 5.6439 5.7484 5.7484 5.9617 5.9617 6.0149 6.0149 7.5201 7.5201 7.6732 7.6732 8.5349 8.5349 9.1489 9.1489 9.2479 9.2479 9.3008 9.3008 9.6568 9.6568 9.6789 9.6789 9.6934 9.6934 9.7540 9.7540 9.7737 9.7737 k = 0.0909 0.0525 0.1485 ( 11245 PWs) bands (ev): -6.2217 -6.2217 -5.1521 -5.1521 -5.1291 -5.1291 -5.1192 -5.1192 -4.9703 -4.9703 -4.8604 -4.8604 -4.8382 -4.8382 -4.8299 -4.8299 1.6244 1.6244 2.3013 2.3013 2.3379 2.3379 2.3563 2.3563 2.9777 2.9777 3.0838 3.0838 3.1092 3.1092 3.7286 3.7286 3.7663 3.7663 3.8638 3.8638 3.8898 3.8898 3.9068 3.9068 4.3672 4.3672 4.3946 4.3946 4.4118 4.4118 4.7374 4.7374 4.7954 4.7954 4.8414 4.8414 5.3017 5.3017 5.5708 5.5708 5.6409 5.6409 5.8037 5.8037 5.9824 5.9824 6.0324 6.0324 7.4718 7.4718 7.6022 7.6022 8.5289 8.5289 9.1568 9.1568 9.2345 9.2345 9.2859 9.2859 9.6758 9.6758 9.6817 9.6817 9.7065 9.7065 9.7357 9.7357 9.7793 9.7793 k = 0.0795 0.0459 0.1299 ( 11241 PWs) bands (ev): -6.2344 -6.2344 -5.1486 -5.1486 -5.1296 -5.1296 -5.1207 -5.1207 -4.9601 -4.9601 -4.8546 -4.8546 -4.8365 -4.8365 -4.8291 -4.8291 1.6006 1.6006 2.2883 2.2883 2.3188 2.3188 2.3343 2.3343 2.9809 2.9809 3.0828 3.0828 3.1033 3.1033 3.7460 3.7460 3.7801 3.7801 3.8572 3.8572 3.8851 3.8851 3.9007 3.9007 4.3802 4.3802 4.4075 4.4075 4.4203 4.4203 4.7493 4.7493 4.7948 4.7948 4.8354 4.8354 5.3632 5.3632 5.5768 5.5768 5.6376 5.6376 5.8576 5.8576 6.0026 6.0026 6.0486 6.0486 7.4276 7.4276 7.5349 7.5349 8.5210 8.5210 9.1613 9.1613 9.2203 9.2203 9.2709 9.2709 9.6743 9.6743 9.7003 9.7003 9.7139 9.7139 9.7351 9.7351 9.7914 9.7914 k = 0.0682 0.0394 0.1113 ( 11237 PWs) bands (ev): -6.2456 -6.2456 -5.1458 -5.1458 -5.1299 -5.1299 -5.1221 -5.1221 -4.9514 -4.9514 -4.8498 -4.8498 -4.8346 -4.8346 -4.8281 -4.8281 1.5797 1.5797 2.2764 2.2764 2.3025 2.3025 2.3151 2.3151 2.9835 2.9835 3.0822 3.0822 3.0980 3.0980 3.7618 3.7618 3.7911 3.7911 3.8517 3.8517 3.8817 3.8817 3.8950 3.8950 4.3925 4.3925 4.4190 4.4190 4.4286 4.4286 4.7602 4.7602 4.7944 4.7944 4.8281 4.8281 5.4185 5.4185 5.5823 5.5823 5.6349 5.6349 5.9077 5.9077 6.0220 6.0220 6.0634 6.0634 7.3879 7.3879 7.4723 7.4723 8.5119 8.5119 9.1631 9.1631 9.2061 9.2061 9.2566 9.2566 9.6687 9.6687 9.6980 9.6980 9.7261 9.7261 9.7612 9.7612 9.8075 9.8075 k = 0.0568 0.0328 0.0928 ( 11225 PWs) bands (ev): -6.2551 -6.2551 -5.1439 -5.1439 -5.1297 -5.1297 -5.1234 -5.1234 -4.9443 -4.9443 -4.8461 -4.8461 -4.8323 -4.8323 -4.8269 -4.8269 1.5618 1.5618 2.2655 2.2655 2.2891 2.2891 2.2987 2.2987 2.9854 2.9854 3.0821 3.0821 3.0934 3.0934 3.7756 3.7756 3.7990 3.7990 3.8474 3.8474 3.8795 3.8795 3.8899 3.8899 4.4037 4.4037 4.4293 4.4293 4.4365 4.4365 4.7699 4.7699 4.7941 4.7941 4.8201 4.8201 5.4660 5.4660 5.5882 5.5882 5.6329 5.6329 5.9520 5.9520 6.0407 6.0407 6.0765 6.0765 7.3533 7.3533 7.4157 7.4157 8.5024 8.5024 9.1629 9.1629 9.1926 9.1926 9.2437 9.2437 9.6635 9.6635 9.6839 9.6839 9.7524 9.7524 9.7895 9.7895 9.8260 9.8260 k = 0.0455 0.0262 0.0742 ( 11219 PWs) bands (ev): -6.2629 -6.2629 -5.1429 -5.1429 -5.1290 -5.1290 -5.1245 -5.1245 -4.9387 -4.9387 -4.8435 -4.8435 -4.8296 -4.8296 -4.8257 -4.8257 1.5470 1.5470 2.2557 2.2557 2.2786 2.2786 2.2853 2.2853 2.9868 2.9868 3.0822 3.0822 3.0896 3.0896 3.7873 3.7873 3.8042 3.8042 3.8441 3.8441 3.8785 3.8785 3.8857 3.8857 4.4134 4.4134 4.4383 4.4383 4.4435 4.4435 4.7781 4.7781 4.7939 4.7939 4.8121 4.8121 5.5036 5.5036 5.5957 5.5957 5.6318 5.6318 5.9883 5.9883 6.0591 6.0591 6.0878 6.0878 7.3241 7.3241 7.3664 7.3664 8.4932 8.4932 9.1614 9.1614 9.1803 9.1803 9.2330 9.2330 9.6590 9.6590 9.6721 9.6721 9.7786 9.7786 9.8177 9.8177 9.8449 9.8449 k = 0.0341 0.0197 0.0557 ( 11199 PWs) bands (ev): -6.2690 -6.2690 -5.1424 -5.1424 -5.1281 -5.1281 -5.1253 -5.1253 -4.9346 -4.9346 -4.8418 -4.8418 -4.8271 -4.8271 -4.8247 -4.8247 1.5354 1.5354 2.2475 2.2475 2.2709 2.2709 2.2749 2.2749 2.9877 2.9877 3.0824 3.0824 3.0866 3.0866 3.7966 3.7966 3.8070 3.8070 3.8419 3.8419 3.8782 3.8782 3.8826 3.8826 4.4211 4.4211 4.4460 4.4460 4.4493 4.4493 4.7847 4.7847 4.7937 4.7937 4.8047 4.8047 5.5293 5.5293 5.6060 5.6060 5.6312 5.6312 6.0147 6.0147 6.0774 6.0774 6.0969 6.0969 7.3009 7.3009 7.3258 7.3258 8.4852 8.4852 9.1594 9.1594 9.1700 9.1700 9.2246 9.2246 9.6554 9.6554 9.6627 9.6627 9.8030 9.8030 9.8444 9.8444 9.8627 9.8627 k = 0.0227 0.0131 0.0371 ( 11219 PWs) bands (ev): -6.2733 -6.2733 -5.1423 -5.1423 -5.1273 -5.1273 -5.1260 -5.1260 -4.9319 -4.9319 -4.8406 -4.8406 -4.8250 -4.8250 -4.8239 -4.8239 1.5271 1.5271 2.2413 2.2413 2.2657 2.2657 2.2675 2.2675 2.9882 2.9882 3.0826 3.0826 3.0845 3.0845 3.8033 3.8033 3.8083 3.8083 3.8405 3.8405 3.8784 3.8784 3.8805 3.8805 4.4267 4.4267 4.4519 4.4519 4.4536 4.4536 4.7893 4.7893 4.7937 4.7937 4.7989 4.7989 5.5437 5.5437 5.6180 5.6180 5.6311 5.6311 6.0315 6.0315 6.0938 6.0938 6.1037 6.1037 7.2840 7.2840 7.2955 7.2955 8.4789 8.4789 9.1575 9.1575 9.1621 9.1621 9.2187 9.2187 9.6527 9.6527 9.6559 9.6559 9.8235 9.8235 9.8679 9.8679 9.8778 9.8778 k = 0.0114 0.0066 0.0186 ( 11191 PWs) bands (ev): -6.2760 -6.2760 -5.1423 -5.1423 -5.1267 -5.1267 -5.1264 -5.1264 -4.9302 -4.9302 -4.8400 -4.8400 -4.8237 -4.8237 -4.8234 -4.8234 1.5221 1.5221 2.2374 2.2374 2.2626 2.2626 2.2630 2.2630 2.9885 2.9885 3.0828 3.0828 3.0833 3.0833 3.8074 3.8074 3.8087 3.8087 3.8396 3.8396 3.8787 3.8787 3.8792 3.8792 4.4301 4.4301 4.4558 4.4558 4.4562 4.4562 4.7913 4.7913 4.7941 4.7941 4.7955 4.7955 5.5502 5.5502 5.6276 5.6276 5.6312 5.6312 6.0405 6.0405 6.1052 6.1052 6.1079 6.1079 7.2738 7.2738 7.2767 7.2767 8.4750 8.4750 9.1561 9.1561 9.1572 9.1572 9.2152 9.2152 9.6510 9.6510 9.6519 9.6519 9.8374 9.8374 9.8856 9.8856 9.8886 9.8886 k = 0.0000 0.0000 0.0000 ( 11191 PWs) bands (ev): -6.2768 -6.2768 -5.1423 -5.1423 -5.1265 -5.1265 -5.1265 -5.1265 -4.9297 -4.9297 -4.8397 -4.8397 -4.8233 -4.8233 -4.8233 -4.8233 1.5204 1.5204 2.2361 2.2361 2.2616 2.2616 2.2616 2.2616 2.9886 2.9886 3.0829 3.0829 3.0829 3.0829 3.8088 3.8088 3.8088 3.8088 3.8393 3.8393 3.8789 3.8789 3.8789 3.8789 4.4312 4.4312 4.4571 4.4571 4.4571 4.4571 4.7912 4.7912 4.7946 4.7946 4.7946 4.7946 5.5520 5.5520 5.6312 5.6312 5.6312 5.6312 6.0433 6.0433 6.1093 6.1093 6.1093 6.1093 7.2703 7.2703 7.2703 7.2703 8.4736 8.4736 9.1556 9.1556 9.1556 9.1556 9.2140 9.2140 9.6505 9.6505 9.6505 9.6505 9.8424 9.8424 9.8926 9.8926 9.8926 9.8926 k = 0.0000 0.0000 0.0000 ( 11191 PWs) bands (ev): -6.2768 -6.2768 -5.1423 -5.1423 -5.1265 -5.1265 -5.1265 -5.1265 -4.9297 -4.9297 -4.8397 -4.8397 -4.8233 -4.8233 -4.8233 -4.8233 1.5204 1.5204 2.2361 2.2361 2.2616 2.2616 2.2616 2.2616 2.9886 2.9886 3.0829 3.0829 3.0829 3.0829 3.8088 3.8088 3.8088 3.8088 3.8393 3.8393 3.8789 3.8789 3.8789 3.8789 4.4312 4.4312 4.4571 4.4571 4.4571 4.4571 4.7912 4.7912 4.7946 4.7946 4.7946 4.7946 5.5520 5.5520 5.6312 5.6312 5.6312 5.6312 6.0433 6.0433 6.1093 6.1093 6.1093 6.1093 7.2703 7.2703 7.2703 7.2703 8.4736 8.4736 9.1556 9.1556 9.1556 9.1556 9.2140 9.2140 9.6505 9.6505 9.6505 9.6505 9.8424 9.8424 9.8926 9.8926 9.8926 9.8926 k = 0.0185 0.0107 0.0076 ( 11191 PWs) bands (ev): -6.2760 -6.2760 -5.1423 -5.1423 -5.1268 -5.1268 -5.1264 -5.1264 -4.9302 -4.9302 -4.8400 -4.8400 -4.8237 -4.8237 -4.8234 -4.8234 1.5220 1.5220 2.2374 2.2374 2.2625 2.2625 2.2631 2.2631 2.9885 2.9885 3.0830 3.0830 3.0831 3.0831 3.8080 3.8080 3.8081 3.8081 3.8396 3.8396 3.8788 3.8788 3.8791 3.8791 4.4301 4.4301 4.4560 4.4560 4.4560 4.4560 4.7911 4.7911 4.7943 4.7943 4.7954 4.7954 5.5502 5.5502 5.6277 5.6277 5.6311 5.6311 6.0405 6.0405 6.1053 6.1053 6.1079 6.1079 7.2752 7.2752 7.2752 7.2752 8.4750 8.4750 9.1562 9.1562 9.1571 9.1571 9.2152 9.2152 9.6514 9.6514 9.6515 9.6515 9.8375 9.8375 9.8863 9.8863 9.8878 9.8878 k = 0.0370 0.0214 0.0151 ( 11206 PWs) bands (ev): -6.2734 -6.2734 -5.1423 -5.1423 -5.1274 -5.1274 -5.1260 -5.1260 -4.9319 -4.9319 -4.8406 -4.8406 -4.8251 -4.8251 -4.8239 -4.8239 1.5270 1.5270 2.2412 2.2412 2.2654 2.2654 2.2677 2.2677 2.9882 2.9882 3.0835 3.0835 3.0837 3.0837 3.8054 3.8054 3.8061 3.8061 3.8405 3.8405 3.8788 3.8788 3.8801 3.8801 4.4268 4.4268 4.4526 4.4526 4.4528 4.4528 4.7876 4.7876 4.7964 4.7964 4.7978 4.7978 5.5442 5.5442 5.6174 5.6174 5.6314 5.6314 6.0317 6.0317 6.0940 6.0940 6.1035 6.1035 7.2896 7.2896 7.2898 7.2898 8.4789 8.4789 9.1580 9.1580 9.1616 9.1616 9.2186 9.2186 9.6540 9.6540 9.6547 9.6547 9.8240 9.8240 9.8700 9.8700 9.8747 9.8747 k = 0.0556 0.0321 0.0227 ( 11203 PWs) bands (ev): -6.2690 -6.2690 -5.1424 -5.1424 -5.1283 -5.1283 -5.1252 -5.1252 -4.9347 -4.9347 -4.8417 -4.8417 -4.8271 -4.8271 -4.8247 -4.8247 1.5353 1.5353 2.2474 2.2474 2.2703 2.2703 2.2755 2.2755 2.9878 2.9878 3.0842 3.0842 3.0847 3.0847 3.8010 3.8010 3.8026 3.8026 3.8419 3.8419 3.8789 3.8789 3.8819 3.8819 4.4216 4.4216 4.4473 4.4473 4.4477 4.4477 4.7807 4.7807 4.8009 4.8009 4.8014 4.8014 5.5325 5.5325 5.6006 5.6006 5.6337 5.6337 6.0154 6.0154 6.0775 6.0775 6.0966 6.0966 7.3130 7.3130 7.3134 7.3134 8.4850 8.4850 9.1608 9.1608 9.1689 9.1689 9.2241 9.2241 9.6583 9.6583 9.6598 9.6598 9.8044 9.8044 9.8482 9.8482 9.8555 9.8555 k = 0.0741 0.0428 0.0302 ( 11209 PWs) bands (ev): -6.2629 -6.2629 -5.1429 -5.1429 -5.1293 -5.1293 -5.1242 -5.1242 -4.9390 -4.9390 -4.8432 -4.8432 -4.8296 -4.8296 -4.8258 -4.8258 1.5469 1.5469 2.2555 2.2555 2.2770 2.2770 2.2868 2.2868 2.9871 2.9871 3.0853 3.0853 3.0862 3.0862 3.7946 3.7946 3.7972 3.7972 3.8436 3.8436 3.8796 3.8796 3.8847 3.8847 4.4146 4.4146 4.4402 4.4402 4.4408 4.4408 4.7710 4.7710 4.8060 4.8060 4.8067 4.8067 5.5143 5.5143 5.5778 5.5778 5.6393 5.6393 5.9892 5.9892 6.0592 6.0592 6.0876 6.0876 7.3446 7.3446 7.3454 7.3454 8.4927 8.4927 9.1642 9.1642 9.1788 9.1788 9.2316 9.2316 9.6642 9.6642 9.6670 9.6670 9.7814 9.7814 9.8237 9.8237 9.8322 9.8322 k = 0.0926 0.0535 0.0378 ( 11227 PWs) bands (ev): -6.2552 -6.2552 -5.1440 -5.1440 -5.1301 -5.1301 -5.1229 -5.1229 -4.9450 -4.9450 -4.8449 -4.8449 -4.8323 -4.8323 -4.8272 -4.8272 1.5616 1.5616 2.2654 2.2654 2.2855 2.2855 2.3017 2.3017 2.9861 2.9861 3.0868 3.0868 3.0881 3.0881 3.7862 3.7862 3.7898 3.7898 3.8452 3.8452 3.8811 3.8811 3.8887 3.8887 4.4062 4.4062 4.4318 4.4318 4.4324 4.4324 4.7587 4.7587 4.8110 4.8110 4.8132 4.8132 5.4898 5.4898 5.5499 5.5499 5.6484 5.6484 5.9520 5.9520 6.0416 6.0416 6.0769 6.0769 7.3835 7.3835 7.3846 7.3846 8.5011 8.5011 9.1677 9.1677 9.1908 9.1908 9.2406 9.2406 9.6717 9.6717 9.6761 9.6761 9.7569 9.7569 9.7983 9.7983 9.8069 9.8069 k = 0.1111 0.0642 0.0454 ( 11230 PWs) bands (ev): -6.2457 -6.2457 -5.1462 -5.1462 -5.1303 -5.1303 -5.1214 -5.1214 -4.9528 -4.9528 -4.8468 -4.8468 -4.8350 -4.8350 -4.8289 -4.8289 1.5794 1.5794 2.2769 2.2769 2.2959 2.2959 2.3202 2.3202 2.9848 2.9848 3.0887 3.0887 3.0906 3.0906 3.7759 3.7759 3.7804 3.7804 3.8460 3.8460 3.8840 3.8840 3.8938 3.8938 4.3968 4.3968 4.4224 4.4224 4.4227 4.4227 4.7440 4.7440 4.8160 4.8160 4.8200 4.8200 5.4599 5.4599 5.5177 5.5177 5.6605 5.6605 5.9048 5.9048 6.0251 6.0251 6.0649 6.0649 7.4287 7.4287 7.4301 7.4301 8.5092 8.5092 9.1710 9.1710 9.2043 9.2043 9.2507 9.2507 9.6807 9.6807 9.6871 9.6871 9.7325 9.7325 9.7728 9.7728 9.7816 9.7816 k = 0.1296 0.0748 0.0529 ( 11245 PWs) bands (ev): -6.2346 -6.2346 -5.1495 -5.1495 -5.1299 -5.1299 -5.1196 -5.1196 -4.9627 -4.9627 -4.8486 -4.8486 -4.8377 -4.8377 -4.8308 -4.8308 1.6003 1.6003 2.2899 2.2899 2.3079 2.3079 2.3421 2.3421 2.9831 2.9831 3.0910 3.0910 3.0936 3.0936 3.7639 3.7639 3.7691 3.7691 3.8457 3.8457 3.8885 3.8885 3.8999 3.8999 4.3866 4.3866 4.4121 4.4121 4.4124 4.4124 4.7273 4.7273 4.8204 4.8204 4.8265 4.8265 5.4259 5.4259 5.4822 5.4822 5.6750 5.6750 5.8494 5.8494 6.0092 6.0092 6.0522 6.0522 7.4791 7.4791 7.4809 7.4809 8.5158 8.5158 9.1738 9.1738 9.2188 9.2188 9.2611 9.2611 9.6911 9.6911 9.6994 9.6994 9.7092 9.7092 9.7482 9.7482 9.7586 9.7586 k = 0.1481 0.0855 0.0605 ( 11245 PWs) bands (ev): -6.2219 -6.2219 -5.1541 -5.1541 -5.1289 -5.1289 -5.1175 -5.1175 -4.9746 -4.9746 -4.8502 -4.8502 -4.8403 -4.8403 -4.8330 -4.8330 1.6240 1.6240 2.3044 2.3044 2.3216 2.3216 2.3671 2.3671 2.9808 2.9808 3.0940 3.0940 3.0972 3.0972 3.7502 3.7502 3.7560 3.7560 3.8444 3.8444 3.8942 3.8942 3.9068 3.9068 4.3762 4.3762 4.4007 4.4007 4.4021 4.4021 4.7086 4.7086 4.8239 4.8239 4.8323 4.8323 5.3889 5.3889 5.4444 5.4444 5.6907 5.6907 5.7880 5.7880 5.9936 5.9936 6.0389 6.0389 7.5340 7.5340 7.5361 7.5361 8.5198 8.5198 9.1762 9.1762 9.2332 9.2332 9.2712 9.2712 9.6877 9.6877 9.7022 9.7022 9.7115 9.7115 9.7254 9.7254 9.7415 9.7415 k = 0.1667 0.0962 0.0680 ( 11254 PWs) bands (ev): -6.2077 -6.2077 -5.1598 -5.1598 -5.1275 -5.1275 -5.1152 -5.1152 -4.9883 -4.9883 -4.8513 -4.8513 -4.8430 -4.8430 -4.8354 -4.8354 1.6505 1.6505 2.3202 2.3202 2.3367 2.3367 2.3952 2.3952 2.9779 2.9779 3.0975 3.0975 3.1015 3.1015 3.7350 3.7350 3.7413 3.7413 3.8424 3.8424 3.9008 3.9008 3.9141 3.9141 4.3658 4.3658 4.3888 4.3888 4.3918 4.3918 4.6883 4.6883 4.8259 4.8259 4.8367 4.8367 5.3500 5.3500 5.4054 5.4054 5.6979 5.6979 5.7314 5.7314 5.9783 5.9783 6.0253 6.0253 7.5924 7.5924 7.5949 7.5949 8.5200 8.5200 9.1785 9.1785 9.2468 9.2468 9.2800 9.2800 9.6677 9.6677 9.6998 9.6998 9.7142 9.7142 9.7192 9.7192 9.7416 9.7416 k = 0.1852 0.1069 0.0756 ( 11257 PWs) bands (ev): -6.1919 -6.1919 -5.1668 -5.1668 -5.1258 -5.1258 -5.1128 -5.1128 -5.0035 -5.0035 -4.8519 -4.8519 -4.8457 -4.8457 -4.8381 -4.8381 1.6795 1.6795 2.3374 2.3374 2.3533 2.3533 2.4258 2.4258 2.9742 2.9742 3.1017 3.1017 3.1064 3.1064 3.7185 3.7185 3.7252 3.7252 3.8399 3.8399 3.9076 3.9076 3.9215 3.9215 4.3557 4.3557 4.3767 4.3767 4.3819 4.3819 4.6666 4.6666 4.8260 4.8260 4.8395 4.8395 5.3104 5.3104 5.3662 5.3662 5.6412 5.6412 5.7353 5.7353 5.9633 5.9633 6.0116 6.0116 7.6538 7.6538 7.6566 7.6566 8.5154 8.5154 9.1813 9.1813 9.2585 9.2585 9.2867 9.2867 9.6487 9.6487 9.6802 9.6802 9.7103 9.7103 9.7332 9.7332 9.7575 9.7575 k = 0.2037 0.1176 0.0832 ( 11251 PWs) bands (ev): -6.1747 -6.1747 -5.1753 -5.1753 -5.1238 -5.1238 -5.1101 -5.1101 -5.0197 -5.0197 -4.8522 -4.8522 -4.8483 -4.8483 -4.8409 -4.8409 1.7110 1.7110 2.3557 2.3557 2.3711 2.3711 2.4588 2.4588 2.9696 2.9696 3.1067 3.1067 3.1121 3.1121 3.7008 3.7008 3.7078 3.7078 3.8373 3.8373 3.9142 3.9142 3.9285 3.9285 4.3459 4.3459 4.3647 4.3647 4.3726 4.3726 4.6438 4.6438 4.8240 4.8240 4.8402 4.8402 5.2710 5.2710 5.3277 5.3277 5.5666 5.5666 5.7547 5.7547 5.9486 5.9486 5.9980 5.9980 7.7174 7.7174 7.7205 7.7205 8.5053 8.5053 9.1853 9.1853 9.2675 9.2675 9.2908 9.2908 9.6302 9.6302 9.6608 9.6608 9.7116 9.7116 9.7503 9.7503 9.7784 9.7784 k = 0.2222 0.1283 0.0907 ( 11257 PWs) bands (ev): -6.1561 -6.1561 -5.1855 -5.1855 -5.1217 -5.1217 -5.1073 -5.1073 -5.0363 -5.0363 -4.8526 -4.8526 -4.8505 -4.8505 -4.8439 -4.8439 1.7448 1.7448 2.3751 2.3751 2.3899 2.3899 2.4938 2.4938 2.9638 2.9638 3.1124 3.1124 3.1187 3.1187 3.6821 3.6821 3.6894 3.6894 3.8351 3.8351 3.9200 3.9200 3.9347 3.9347 4.3365 4.3365 4.3535 4.3535 4.3643 4.3643 4.6201 4.6201 4.8194 4.8194 4.8385 4.8385 5.2328 5.2328 5.2907 5.2907 5.4883 5.4883 5.7756 5.7756 5.9343 5.9343 5.9846 5.9846 7.7827 7.7827 7.7861 7.7861 8.4897 8.4897 9.1908 9.1908 9.2732 9.2732 9.2917 9.2917 9.6118 9.6118 9.6417 9.6417 9.7197 9.7197 9.7699 9.7699 9.8021 9.8021 k = 0.2407 0.1390 0.0983 ( 11260 PWs) bands (ev): -6.1363 -6.1363 -5.1978 -5.1978 -5.1195 -5.1195 -5.1044 -5.1044 -5.0525 -5.0525 -4.8546 -4.8546 -4.8509 -4.8509 -4.8470 -4.8470 1.7805 1.7805 2.3953 2.3953 2.4096 2.4096 2.5305 2.5305 2.9567 2.9567 3.1191 3.1191 3.1261 3.1261 3.6626 3.6626 3.6701 3.6701 3.8334 3.8334 3.9245 3.9245 3.9398 3.9398 4.3270 4.3270 4.3438 4.3438 4.3572 4.3572 4.5960 4.5960 4.8122 4.8122 4.8341 4.8341 5.1966 5.1966 5.2559 5.2559 5.4081 5.4081 5.7970 5.7970 5.9205 5.9205 5.9716 5.9716 7.8494 7.8494 7.8530 7.8530 8.4688 8.4688 9.1981 9.1981 9.2752 9.2752 9.2898 9.2898 9.5929 9.5929 9.6219 9.6219 9.7347 9.7347 9.7921 9.7921 9.8284 9.8284 k = 0.2593 0.1497 0.1058 ( 11257 PWs) bands (ev): -6.1152 -6.1152 -5.2125 -5.2125 -5.1173 -5.1173 -5.1014 -5.1014 -5.0677 -5.0677 -4.8573 -4.8573 -4.8503 -4.8503 -4.8503 -4.8503 1.8180 1.8180 2.4161 2.4161 2.4300 2.4300 2.5683 2.5683 2.9481 2.9481 3.1267 3.1267 3.1345 3.1345 3.6423 3.6423 3.6501 3.6501 3.8329 3.8329 3.9274 3.9274 3.9432 3.9432 4.3169 4.3169 4.3367 4.3367 4.3517 4.3517 4.5715 4.5715 4.8024 4.8024 4.8268 4.8268 5.1629 5.1629 5.2240 5.2240 5.3269 5.3269 5.8184 5.8184 5.9073 5.9073 5.9590 5.9590 7.9169 7.9169 7.9206 7.9206 8.4435 8.4435 9.2066 9.2066 9.2738 9.2738 9.2853 9.2853 9.5725 9.5725 9.6005 9.6005 9.7559 9.7559 9.8172 9.8172 9.8568 9.8568 k = 0.2778 0.1604 0.1134 ( 11258 PWs) bands (ev): -6.0931 -6.0931 -5.2299 -5.2299 -5.1150 -5.1150 -5.0983 -5.0983 -5.0814 -5.0814 -4.8601 -4.8601 -4.8535 -4.8535 -4.8495 -4.8495 1.8570 1.8570 2.4374 2.4374 2.4509 2.4509 2.6068 2.6068 2.9379 2.9379 3.1354 3.1354 3.1438 3.1438 3.6213 3.6213 3.6294 3.6294 3.8338 3.8338 3.9282 3.9282 3.9446 3.9446 4.3063 4.3063 4.3325 4.3325 4.3480 4.3480 4.5469 4.5469 4.7900 4.7900 4.8168 4.8168 5.1318 5.1318 5.1952 5.1952 5.2460 5.2460 5.8395 5.8395 5.8948 5.8948 5.9471 5.9471 7.9848 7.9848 7.9887 7.9887 8.4149 8.4149 9.2155 9.2155 9.2695 9.2695 9.2794 9.2794 9.5499 9.5499 9.5764 9.5764 9.7831 9.7831 9.8450 9.8450 9.8872 9.8872 k = 0.2963 0.1711 0.1210 ( 11255 PWs) bands (ev): -6.0701 -6.0701 -5.2499 -5.2499 -5.1131 -5.1131 -5.0952 -5.0952 -5.0930 -5.0930 -4.8629 -4.8629 -4.8568 -4.8568 -4.8485 -4.8485 1.8972 1.8972 2.4587 2.4587 2.4718 2.4718 2.6454 2.6454 2.9259 2.9259 3.1451 3.1451 3.1542 3.1542 3.5999 3.5999 3.6083 3.6083 3.8366 3.8366 3.9268 3.9268 3.9438 3.9438 4.2956 4.2956 4.3308 4.3308 4.3463 4.3463 4.5225 4.5225 4.7755 4.7755 4.8044 4.8044 5.1017 5.1017 5.1681 5.1681 5.1697 5.1697 5.8599 5.8599 5.8832 5.8832 5.9358 5.9358 8.0527 8.0527 8.0568 8.0568 8.3841 8.3841 9.2233 9.2233 9.2628 9.2628 9.2736 9.2736 9.5246 9.5246 9.5491 9.5491 9.8157 9.8157 9.8750 9.8750 9.9187 9.9187 k = 0.3148 0.1818 0.1285 ( 11243 PWs) bands (ev): -6.0463 -6.0463 -5.2723 -5.2723 -5.1124 -5.1124 -5.1016 -5.1016 -5.0921 -5.0921 -4.8657 -4.8657 -4.8601 -4.8601 -4.8475 -4.8475 1.9383 1.9383 2.4799 2.4799 2.4926 2.4926 2.6834 2.6834 2.9124 2.9124 3.1561 3.1561 3.1658 3.1658 3.5779 3.5779 3.5867 3.5867 3.8418 3.8418 3.9231 3.9231 3.9408 3.9408 4.2852 4.2852 4.3313 4.3313 4.3466 4.3466 4.4985 4.4985 4.7595 4.7595 4.7900 4.7900 5.0603 5.0603 5.1059 5.1059 5.1474 5.1474 5.8709 5.8709 5.8809 5.8809 5.9253 5.9253 8.1203 8.1203 8.1246 8.1246 8.3523 8.3523 9.2274 9.2274 9.2546 9.2546 9.2703 9.2703 9.4961 9.4961 9.5185 9.5185 9.8532 9.8532 9.9067 9.9067 9.9507 9.9507 k = 0.3333 0.1925 0.1361 ( 11261 PWs) bands (ev): -6.0220 -6.0220 -5.2964 -5.2964 -5.1159 -5.1159 -5.1045 -5.1045 -5.0891 -5.0891 -4.8684 -4.8684 -4.8632 -4.8632 -4.8465 -4.8465 1.9797 1.9797 2.5006 2.5006 2.5130 2.5130 2.7200 2.7200 2.8975 2.8975 3.1683 3.1683 3.1784 3.1784 3.5556 3.5556 3.5647 3.5647 3.8495 3.8495 3.9174 3.9174 3.9356 3.9356 4.2753 4.2753 4.3337 4.3337 4.3487 4.3487 4.4749 4.4749 4.7425 4.7425 4.7744 4.7744 4.9928 4.9928 5.0749 5.0749 5.1280 5.1280 5.8616 5.8616 5.8988 5.8988 5.9157 5.9157 8.1870 8.1870 8.1915 8.1915 8.3208 8.3208 9.2257 9.2257 9.2455 9.2455 9.2717 9.2717 9.4649 9.4649 9.4847 9.4847 9.8951 9.8951 9.9393 9.9393 9.9822 9.9822 k = 0.3519 0.2031 0.1436 ( 11231 PWs) bands (ev): -5.9974 -5.9974 -5.3217 -5.3217 -5.1218 -5.1218 -5.1034 -5.1034 -5.0862 -5.0862 -4.8709 -4.8709 -4.8663 -4.8663 -4.8455 -4.8455 2.0212 2.0212 2.5205 2.5205 2.5325 2.5325 2.7535 2.7535 2.8823 2.8823 3.1818 3.1818 3.1923 3.1923 3.5329 3.5329 3.5425 3.5425 3.8601 3.8601 3.9100 3.9100 3.9286 3.9286 4.2662 4.2662 4.3377 4.3377 4.3525 4.3525 4.4519 4.4519 4.7253 4.7253 4.7585 4.7585 4.9193 4.9193 5.0556 5.0556 5.1113 5.1113 5.8525 5.8525 5.9069 5.9069 5.9160 5.9160 8.2511 8.2511 8.2571 8.2571 8.2917 8.2917 9.2195 9.2195 9.2361 9.2361 9.2762 9.2762 9.4315 9.4315 9.4484 9.4484 9.9404 9.9404 9.9719 9.9719 10.0121 10.0121 k = 0.3704 0.2138 0.1512 ( 11228 PWs) bands (ev): -5.9729 -5.9729 -5.3476 -5.3476 -5.1273 -5.1273 -5.1017 -5.1017 -5.0835 -5.0835 -4.8733 -4.8733 -4.8691 -4.8691 -4.8446 -4.8446 2.0619 2.0619 2.5392 2.5392 2.5509 2.5509 2.7811 2.7811 2.8694 2.8694 3.1966 3.1966 3.2073 3.2073 3.5098 3.5098 3.5201 3.5201 3.8734 3.8734 3.9018 3.9018 3.9204 3.9204 4.2580 4.2580 4.3426 4.3426 4.3576 4.3576 4.4295 4.4295 4.7085 4.7085 4.7428 4.7428 4.8480 4.8480 5.0404 5.0404 5.0970 5.0970 5.8444 5.8444 5.8991 5.8991 5.9318 5.9318 8.2593 8.2593 8.3184 8.3184 8.3207 8.3207 9.2113 9.2113 9.2269 9.2269 9.2807 9.2807 9.3973 9.3973 9.4102 9.4102 9.9880 9.9880 10.0037 10.0037 10.0393 10.0393 k = 0.3889 0.2245 0.1588 ( 11228 PWs) bands (ev): -5.9489 -5.9489 -5.3732 -5.3732 -5.1320 -5.1320 -5.1000 -5.1000 -5.0810 -5.0810 -4.8755 -4.8755 -4.8718 -4.8718 -4.8437 -4.8437 2.1014 2.1014 2.5563 2.5563 2.5678 2.5678 2.7952 2.7952 2.8659 2.8659 3.2128 3.2128 3.2235 3.2235 3.4865 3.4865 3.4975 3.4975 3.8854 3.8854 3.8973 3.8973 3.9113 3.9113 4.2506 4.2506 4.3481 4.3481 4.3635 4.3635 4.4077 4.4077 4.6927 4.6927 4.7275 4.7275 4.7818 4.7818 5.0278 5.0278 5.0849 5.0849 5.8373 5.8373 5.8923 5.8923 5.9458 5.9458 8.2339 8.2339 8.3787 8.3787 8.3816 8.3816 9.2027 9.2027 9.2182 9.2182 9.2823 9.2823 9.3650 9.3650 9.3710 9.3710 10.0338 10.0338 10.0359 10.0359 10.0634 10.0634 k = 0.4074 0.2352 0.1663 ( 11240 PWs) bands (ev): -5.9261 -5.9261 -5.3978 -5.3978 -5.1358 -5.1358 -5.0984 -5.0984 -5.0788 -5.0788 -4.8774 -4.8774 -4.8741 -4.8741 -4.8429 -4.8429 2.1385 2.1385 2.5715 2.5715 2.5828 2.5828 2.7908 2.7908 2.8772 2.8772 3.2303 3.2303 3.2408 3.2408 3.4629 3.4629 3.4749 3.4749 3.8806 3.8806 3.9023 3.9023 3.9122 3.9122 4.2443 4.2443 4.3535 4.3535 4.3698 4.3698 4.3864 4.3864 4.6784 4.6784 4.7076 4.7076 4.7281 4.7281 5.0175 5.0175 5.0748 5.0748 5.8312 5.8312 5.8864 5.8864 5.9580 5.9580 8.2110 8.2110 8.4359 8.4359 8.4387 8.4387 9.1943 9.1943 9.2102 9.2102 9.2757 9.2757 9.3322 9.3322 9.3401 9.3401 10.0614 10.0614 10.0753 10.0753 10.0915 10.0915 k = 0.4259 0.2459 0.1739 ( 11231 PWs) bands (ev): -5.9051 -5.9051 -5.4205 -5.4205 -5.1389 -5.1389 -5.0970 -5.0970 -5.0769 -5.0769 -4.8790 -4.8790 -4.8761 -4.8761 -4.8423 -4.8423 2.1723 2.1723 2.5845 2.5845 2.5955 2.5955 2.7765 2.7765 2.8947 2.8947 3.2490 3.2490 3.2589 3.2589 3.4393 3.4393 3.4524 3.4524 3.8724 3.8724 3.8938 3.8938 3.9330 3.9330 4.2391 4.2391 4.3563 4.3563 4.3677 4.3677 4.3758 4.3758 4.6635 4.6635 4.6660 4.6660 4.7086 4.7086 5.0090 5.0090 5.0665 5.0665 5.8262 5.8262 5.8816 5.8816 5.9681 5.9681 8.1916 8.1916 8.4882 8.4882 8.4906 8.4906 9.1863 9.1863 9.2032 9.2032 9.2570 9.2570 9.2953 9.2953 9.3286 9.3286 10.0857 10.0857 10.0936 10.0936 10.1337 10.1338 k = 0.4444 0.2566 0.1814 ( 11231 PWs) bands (ev): -5.8869 -5.8869 -5.4401 -5.4401 -5.1412 -5.1412 -5.0958 -5.0958 -5.0754 -5.0754 -4.8803 -4.8803 -4.8777 -4.8777 -4.8418 -4.8418 2.2013 2.2013 2.5949 2.5949 2.6058 2.6058 2.7606 2.7606 2.9113 2.9113 3.2687 3.2687 3.2774 3.2774 3.4157 3.4157 3.4304 3.4304 3.8651 3.8651 3.8865 3.8865 3.9543 3.9543 4.2350 4.2350 4.3426 4.3426 4.3655 4.3655 4.3812 4.3812 4.6215 4.6215 4.6560 4.6560 4.6991 4.6991 5.0024 5.0024 5.0601 5.0601 5.8223 5.8223 5.8779 5.8779 5.9762 5.9762 8.1762 8.1762 8.5335 8.5335 8.5355 8.5355 9.1782 9.1782 9.1971 9.1971 9.2331 9.2331 9.2626 9.2626 9.3258 9.3258 10.1054 10.1054 10.1060 10.1060 10.1468 10.1468 k = 0.4630 0.2673 0.1890 ( 11246 PWs) bands (ev): -5.8726 -5.8726 -5.4554 -5.4554 -5.1428 -5.1428 -5.0950 -5.0950 -5.0743 -5.0743 -4.8812 -4.8812 -4.8789 -4.8789 -4.8414 -4.8414 2.2239 2.2239 2.6025 2.6025 2.6134 2.6134 2.7467 2.7467 2.9240 2.9240 3.2888 3.2888 3.2956 3.2956 3.3929 3.3929 3.4099 3.4099 3.8595 3.8595 3.8808 3.8808 3.9736 3.9736 4.2320 4.2320 4.3250 4.3250 4.3684 4.3684 4.3854 4.3854 4.5903 4.5903 4.6486 4.6486 4.6926 4.6926 4.9976 4.9976 5.0555 5.0555 5.8196 5.8196 5.8752 5.8752 5.9820 5.9820 8.1649 8.1649 8.5692 8.5692 8.5707 8.5707 9.1697 9.1697 9.1917 9.1917 9.2134 9.2134 9.2369 9.2369 9.3258 9.3258 10.1135 10.1135 10.1218 10.1218 10.1508 10.1508 k = 0.4815 0.2780 0.1966 ( 11246 PWs) bands (ev): -5.8634 -5.8634 -5.4653 -5.4653 -5.1438 -5.1438 -5.0945 -5.0945 -5.0736 -5.0736 -4.8818 -4.8818 -4.8796 -4.8796 -4.8411 -4.8411 2.2383 2.2383 2.6072 2.6072 2.6179 2.6179 2.7373 2.7373 2.9320 2.9320 3.3076 3.3076 3.3110 3.3110 3.3724 3.3724 3.3930 3.3930 3.8559 3.8559 3.8773 3.8773 3.9875 3.9875 4.2302 4.2302 4.3120 4.3120 4.3705 4.3705 4.3881 4.3881 4.5713 4.5713 4.6441 4.6441 4.6888 4.6888 4.9948 4.9948 5.0527 5.0527 5.8179 5.8179 5.8736 5.8736 5.9855 5.9855 8.1581 8.1581 8.5924 8.5924 8.5934 8.5934 9.1617 9.1617 9.1872 9.1872 9.2021 9.2021 9.2210 9.2210 9.3262 9.3262 10.1183 10.1183 10.1322 10.1322 10.1525 10.1525 k = 0.5000 0.2887 0.2041 ( 11228 PWs) bands (ev): -5.8603 -5.8603 -5.4687 -5.4687 -5.1441 -5.1441 -5.0943 -5.0943 -5.0733 -5.0733 -4.8820 -4.8820 -4.8798 -4.8798 -4.8411 -4.8411 2.2433 2.2433 2.6087 2.6087 2.6195 2.6195 2.7340 2.7340 2.9347 2.9347 3.3176 3.3176 3.3179 3.3179 3.3619 3.3619 3.3857 3.3857 3.8547 3.8547 3.8761 3.8761 3.9927 3.9927 4.2295 4.2295 4.3072 4.3072 4.3712 4.3712 4.3890 4.3890 4.5650 4.5650 4.6426 4.6426 4.6876 4.6876 4.9938 4.9938 5.0518 5.0518 5.8173 5.8173 5.8731 5.8731 5.9866 5.9866 8.1558 8.1558 8.6005 8.6005 8.6014 8.6014 9.1583 9.1583 9.1852 9.1852 9.1987 9.1987 9.2159 9.2159 9.3265 9.3265 10.1199 10.1199 10.1361 10.1361 10.1527 10.1527 k = 0.5000 0.2887 0.2041 ( 11228 PWs) bands (ev): -5.8603 -5.8603 -5.4687 -5.4687 -5.1441 -5.1441 -5.0943 -5.0943 -5.0733 -5.0733 -4.8820 -4.8820 -4.8798 -4.8798 -4.8411 -4.8411 2.2433 2.2433 2.6087 2.6087 2.6195 2.6195 2.7340 2.7340 2.9347 2.9347 3.3176 3.3176 3.3179 3.3179 3.3619 3.3619 3.3857 3.3857 3.8547 3.8547 3.8761 3.8761 3.9927 3.9927 4.2295 4.2295 4.3072 4.3072 4.3712 4.3712 4.3890 4.3890 4.5650 4.5650 4.6426 4.6426 4.6876 4.6876 4.9938 4.9938 5.0518 5.0518 5.8173 5.8173 5.8731 5.8731 5.9866 5.9866 8.1558 8.1558 8.6005 8.6005 8.6014 8.6014 9.1583 9.1583 9.1852 9.1852 9.1987 9.1987 9.2159 9.2159 9.3265 9.3265 10.1199 10.1199 10.1361 10.1361 10.1527 10.1527 k = 0.5066 0.2697 0.2149 ( 11246 PWs) bands (ev): -5.8595 -5.8595 -5.4685 -5.4685 -5.1441 -5.1441 -5.0948 -5.0948 -5.0738 -5.0738 -4.8822 -4.8822 -4.8800 -4.8800 -4.8411 -4.8411 2.2443 2.2443 2.6103 2.6103 2.6211 2.6211 2.7342 2.7342 2.9340 2.9340 3.3180 3.3180 3.3188 3.3188 3.3612 3.3612 3.3850 3.3850 3.8540 3.8540 3.8753 3.8753 3.9908 3.9908 4.2294 4.2294 4.3095 4.3095 4.3670 4.3670 4.3856 4.3856 4.5711 4.5711 4.6418 4.6418 4.6868 4.6868 4.9955 4.9955 5.0534 5.0534 5.8156 5.8156 5.8714 5.8714 5.9844 5.9844 8.1571 8.1571 8.6010 8.6010 8.6034 8.6034 9.1583 9.1583 9.1806 9.1806 9.2009 9.2009 9.2137 9.2137 9.3342 9.3342 10.1020 10.1020 10.1247 10.1247 10.1599 10.1599 k = 0.5132 0.2507 0.2256 ( 11248 PWs) bands (ev): -5.8573 -5.8573 -5.4678 -5.4678 -5.1441 -5.1441 -5.0963 -5.0963 -5.0751 -5.0751 -4.8826 -4.8826 -4.8806 -4.8806 -4.8411 -4.8411 2.2475 2.2475 2.6149 2.6149 2.6261 2.6261 2.7348 2.7348 2.9319 2.9319 3.3188 3.3188 3.3216 3.3216 3.3582 3.3582 3.3839 3.3839 3.8514 3.8514 3.8735 3.8735 3.9851 3.9851 4.2290 4.2290 4.3163 4.3163 4.3522 4.3522 4.3804 4.3804 4.5870 4.5870 4.6393 4.6393 4.6850 4.6850 5.0000 5.0000 5.0587 5.0587 5.8100 5.8100 5.8668 5.8668 5.9778 5.9778 8.1608 8.1608 8.6016 8.6016 8.6106 8.6106 9.1510 9.1510 9.1739 9.1739 9.2009 9.2009 9.2182 9.2182 9.3530 9.3530 10.0636 10.0636 10.1057 10.1057 10.1680 10.1680 k = 0.5197 0.2317 0.2364 ( 11240 PWs) bands (ev): -5.8537 -5.8537 -5.4666 -5.4666 -5.1441 -5.1441 -5.0994 -5.0994 -5.0764 -5.0764 -4.8833 -4.8833 -4.8815 -4.8815 -4.8412 -4.8412 2.2527 2.2527 2.6218 2.6218 2.6350 2.6350 2.7358 2.7358 2.9285 2.9285 3.3202 3.3202 3.3261 3.3261 3.3513 3.3513 3.3841 3.3841 3.8463 3.8463 3.8717 3.8717 3.9755 3.9755 4.2283 4.2283 4.3238 4.3238 4.3322 4.3322 4.3762 4.3762 4.6079 4.6079 4.6348 4.6348 4.6831 4.6831 5.0054 5.0054 5.0689 5.0689 5.7994 5.7994 5.8597 5.8597 5.9681 5.9681 8.1668 8.1668 8.6027 8.6027 8.6224 8.6224 9.1271 9.1271 9.1744 9.1744 9.2023 9.2023 9.2323 9.2323 9.3765 9.3765 10.0190 10.0190 10.0853 10.0853 10.1704 10.1704 k = 0.5263 0.2127 0.2471 ( 11240 PWs) bands (ev): -5.8486 -5.8486 -5.4651 -5.4651 -5.1442 -5.1442 -5.1044 -5.1044 -5.0772 -5.0772 -4.8843 -4.8843 -4.8828 -4.8828 -4.8414 -4.8414 2.2600 2.2600 2.6306 2.6306 2.6481 2.6481 2.7372 2.7372 2.9240 2.9240 3.3219 3.3219 3.3319 3.3319 3.3403 3.3403 3.3865 3.3865 3.8383 3.8383 3.8710 3.8710 3.9620 3.9620 4.2269 4.2269 4.3013 4.3013 4.3415 4.3415 4.3718 4.3718 4.6249 4.6249 4.6334 4.6334 4.6826 4.6826 5.0094 5.0094 5.0853 5.0853 5.7827 5.7827 5.8502 5.8502 5.9570 5.9570 8.1747 8.1747 8.6046 8.6046 8.6387 8.6387 9.0954 9.0954 9.1743 9.1743 9.2101 9.2101 9.2527 9.2527 9.4011 9.4011 9.9729 9.9729 10.0643 10.0643 10.1666 10.1666 k = 0.5329 0.1937 0.2578 ( 11228 PWs) bands (ev): -5.8421 -5.8421 -5.4632 -5.4632 -5.1449 -5.1449 -5.1112 -5.1112 -5.0773 -5.0773 -4.8857 -4.8857 -4.8842 -4.8842 -4.8417 -4.8417 2.2694 2.2694 2.6412 2.6412 2.6652 2.6652 2.7391 2.7391 2.9187 2.9187 3.3206 3.3206 3.3285 3.3285 3.3390 3.3390 3.3907 3.3907 3.8277 3.8277 3.8712 3.8712 3.9446 3.9446 4.2247 4.2247 4.2745 4.2745 4.3561 4.3561 4.3671 4.3671 4.6166 4.6166 4.6532 4.6532 4.6860 4.6860 5.0110 5.0110 5.1078 5.1078 5.7600 5.7600 5.8367 5.8367 5.9472 5.9472 8.1839 8.1839 8.6075 8.6075 8.6589 8.6589 9.0605 9.0605 9.1717 9.1717 9.2229 9.2229 9.2790 9.2790 9.4253 9.4253 9.9274 9.9274 10.0429 10.0429 10.1572 10.1572 k = 0.5395 0.1747 0.2686 ( 11234 PWs) bands (ev): -5.8342 -5.8342 -5.4611 -5.4611 -5.1469 -5.1469 -5.1186 -5.1186 -5.0766 -5.0766 -4.8876 -4.8876 -4.8857 -4.8857 -4.8423 -4.8423 2.2807 2.2807 2.6535 2.6535 2.6856 2.6856 2.7417 2.7417 2.9129 2.9129 3.3042 3.3042 3.3295 3.3295 3.3465 3.3465 3.3965 3.3965 3.8149 3.8149 3.8721 3.8721 3.9243 3.9243 4.2211 4.2211 4.2491 4.2491 4.3615 4.3615 4.3714 4.3714 4.6040 4.6040 4.6690 4.6690 4.6978 4.6978 5.0100 5.0100 5.1352 5.1352 5.7319 5.7319 5.8176 5.8176 5.9410 5.9410 8.1941 8.1941 8.6118 8.6118 8.6828 8.6828 9.0242 9.0242 9.1673 9.1673 9.2384 9.2384 9.3109 9.3109 9.4479 9.4479 9.8838 9.8838 10.0215 10.0215 10.1419 10.1419 k = 0.5461 0.1557 0.2793 ( 11242 PWs) bands (ev): -5.8250 -5.8250 -5.4589 -5.4589 -5.1517 -5.1517 -5.1247 -5.1247 -5.0753 -5.0753 -4.8899 -4.8899 -4.8873 -4.8873 -4.8432 -4.8432 2.2939 2.2939 2.6675 2.6675 2.7078 2.7078 2.7463 2.7463 2.9068 2.9068 3.2829 3.2829 3.3334 3.3334 3.3541 3.3541 3.4035 3.4035 3.7992 3.7992 3.8732 3.8732 3.9030 3.9030 4.2138 4.2138 4.2277 4.2277 4.3564 4.3564 4.3850 4.3850 4.5890 4.5890 4.6791 4.6791 4.7186 4.7186 5.0064 5.0064 5.1661 5.1661 5.6993 5.6993 5.7922 5.7922 5.9394 5.9394 8.2045 8.2045 8.6179 8.6179 8.7099 8.7099 8.9876 8.9876 9.1617 9.1617 9.2546 9.2546 9.3479 9.3479 9.4679 9.4679 9.8438 9.8438 10.0003 10.0003 10.1201 10.1201 k = 0.5526 0.1367 0.2901 ( 11230 PWs) bands (ev): -5.8144 -5.8144 -5.4568 -5.4568 -5.1606 -5.1606 -5.1279 -5.1279 -5.0737 -5.0737 -4.8925 -4.8925 -4.8891 -4.8891 -4.8445 -4.8445 2.3090 2.3090 2.6830 2.6830 2.7260 2.7260 2.7578 2.7578 2.9010 2.9010 3.2595 3.2595 3.3384 3.3384 3.3613 3.3613 3.4114 3.4114 3.7792 3.7792 3.8720 3.8720 3.8859 3.8859 4.1975 4.1975 4.2157 4.2157 4.3512 4.3512 4.3968 4.3968 4.5724 4.5724 4.6885 4.6885 4.7433 4.7433 5.0003 5.0003 5.1990 5.1990 5.6637 5.6637 5.7617 5.7617 5.9418 5.9418 8.2146 8.2146 8.6262 8.6262 8.7399 8.7399 8.9514 8.9514 9.1553 9.1553 9.2695 9.2695 9.3893 9.3893 9.4845 9.4845 9.8093 9.8093 9.9795 9.9795 10.0912 10.0912 k = 0.5592 0.1177 0.3008 ( 11236 PWs) bands (ev): -5.8026 -5.8026 -5.4550 -5.4550 -5.1724 -5.1724 -5.1289 -5.1289 -5.0717 -5.0717 -4.8954 -4.8954 -4.8909 -4.8909 -4.8461 -4.8461 2.3259 2.3259 2.6999 2.6999 2.7339 2.7339 2.7818 2.7818 2.8962 2.8962 3.2345 3.2345 3.3443 3.3443 3.3677 3.3677 3.4203 3.4203 3.7531 3.7531 3.8617 3.8617 3.8830 3.8830 4.1774 4.1774 4.2070 4.2070 4.3465 4.3465 4.4060 4.4060 4.5545 4.5545 4.6990 4.6990 4.7699 4.7699 4.9917 4.9917 5.2325 5.2325 5.6261 5.6261 5.7277 5.7277 5.9473 5.9473 8.2239 8.2239 8.6370 8.6370 8.7723 8.7723 8.9164 8.9164 9.1481 9.1481 9.2806 9.2806 9.4339 9.4339 9.4978 9.4978 9.7826 9.7826 9.9594 9.9594 10.0554 10.0554 k = 0.5658 0.0988 0.3116 ( 11230 PWs) bands (ev): -5.7896 -5.7896 -5.4538 -5.4538 -5.1858 -5.1858 -5.1286 -5.1286 -5.0695 -5.0695 -4.8985 -4.8985 -4.8928 -4.8928 -4.8481 -4.8481 2.3445 2.3445 2.7178 2.7178 2.7362 2.7362 2.8114 2.8114 2.8940 2.8940 3.2088 3.2088 3.3513 3.3513 3.3729 3.3729 3.4298 3.4298 3.7204 3.7204 3.8522 3.8522 3.8858 3.8858 4.1573 4.1573 4.1973 4.1973 4.3423 4.3423 4.4128 4.4128 4.5358 4.5358 4.7108 4.7108 4.7980 4.7980 4.9804 4.9804 5.2647 5.2647 5.5887 5.5887 5.6916 5.6916 5.9550 5.9550 8.2318 8.2318 8.6505 8.6505 8.8066 8.8066 8.8833 8.8833 9.1404 9.1404 9.2844 9.2844 9.4775 9.4775 9.5118 9.5118 9.7654 9.7654 9.9402 9.9402 10.0141 10.0141 k = 0.5724 0.0798 0.3223 ( 11226 PWs) bands (ev): -5.7755 -5.7755 -5.4535 -5.4535 -5.1996 -5.1996 -5.1276 -5.1276 -5.0671 -5.0671 -4.9018 -4.9018 -4.8948 -4.8948 -4.8506 -4.8506 2.3646 2.3646 2.7340 2.7340 2.7386 2.7386 2.8388 2.8388 2.8983 2.8983 3.1836 3.1836 3.3595 3.3595 3.3764 3.3764 3.4397 3.4397 3.6825 3.6825 3.8476 3.8476 3.8900 3.8900 4.1374 4.1374 4.1861 4.1861 4.3387 4.3387 4.4174 4.4174 4.5166 4.5166 4.7233 4.7233 4.8275 4.8275 4.9667 4.9667 5.2925 5.2925 5.5543 5.5543 5.6547 5.6547 5.9643 5.9643 8.2382 8.2382 8.6670 8.6670 8.8389 8.8389 8.8560 8.8560 9.1322 9.1322 9.2770 9.2770 9.5035 9.5035 9.5453 9.5453 9.7575 9.7575 9.9222 9.9222 9.9698 9.9698 k = 0.5789 0.0608 0.3330 ( 11212 PWs) bands (ev): -5.7604 -5.7604 -5.4548 -5.4548 -5.2128 -5.2128 -5.1262 -5.1262 -5.0645 -5.0645 -4.9051 -4.9051 -4.8968 -4.8968 -4.8535 -4.8535 2.3862 2.3862 2.7330 2.7330 2.7565 2.7565 2.8546 2.8546 2.9161 2.9161 3.1607 3.1607 3.3688 3.3688 3.3780 3.3780 3.4500 3.4500 3.6412 3.6412 3.8476 3.8476 3.8952 3.8952 4.1173 4.1173 4.1735 4.1735 4.3355 4.3355 4.4204 4.4204 4.4973 4.4973 4.7359 4.7359 4.8578 4.8578 4.9506 4.9506 5.3111 5.3111 5.5281 5.5281 5.6181 5.6181 5.9748 5.9748 8.2429 8.2429 8.6861 8.6861 8.8211 8.8211 8.8828 8.8828 9.1239 9.1239 9.2562 9.2562 9.5172 9.5172 9.5946 9.5946 9.7568 9.7568 9.9050 9.9050 9.9264 9.9264 k = 0.5855 0.0418 0.3438 ( 11213 PWs) bands (ev): -5.7444 -5.7444 -5.4580 -5.4580 -5.2247 -5.2247 -5.1246 -5.1246 -5.0619 -5.0619 -4.9086 -4.9086 -4.8988 -4.8988 -4.8568 -4.8568 2.4090 2.4090 2.7285 2.7285 2.7758 2.7758 2.8602 2.8602 2.9429 2.9429 3.1439 3.1439 3.3759 3.3759 3.3810 3.3810 3.4604 3.4604 3.5980 3.5980 3.8513 3.8513 3.9012 3.9012 4.0968 4.0968 4.1599 4.1599 4.3326 4.3326 4.4220 4.4220 4.4783 4.4783 4.7481 4.7481 4.8880 4.8880 4.9332 4.9332 5.3132 5.3132 5.5170 5.5170 5.5831 5.5831 5.9860 5.9860 8.2462 8.2462 8.7075 8.7075 8.7956 8.7956 8.9213 8.9213 9.1155 9.1155 9.2228 9.2228 9.5315 9.5315 9.6458 9.6458 9.7595 9.7595 9.8798 9.8798 9.8975 9.8975 k = 0.5921 0.0228 0.3545 ( 11218 PWs) bands (ev): -5.7277 -5.7277 -5.4637 -5.4637 -5.2345 -5.2345 -5.1227 -5.1227 -5.0592 -5.0592 -4.9120 -4.9120 -4.9009 -4.9009 -4.8605 -4.8605 2.4329 2.4329 2.7215 2.7215 2.7947 2.7947 2.8630 2.8630 2.9643 2.9643 3.1404 3.1404 3.3728 3.3728 3.3929 3.3929 3.4707 3.4707 3.5544 3.5544 3.8579 3.8579 3.9081 3.9081 4.0758 4.0758 4.1457 4.1457 4.3297 4.3297 4.4220 4.4220 4.4605 4.4605 4.7595 4.7595 4.9045 4.9045 4.9277 4.9277 5.2963 5.2963 5.5199 5.5199 5.5544 5.5544 5.9978 5.9978 8.2483 8.2483 8.7288 8.7288 8.7748 8.7748 8.9610 8.9610 9.1072 9.1072 9.1796 9.1796 9.5459 9.5459 9.6941 9.6941 9.7615 9.7615 9.8492 9.8492 9.8877 9.8877 k = 0.5987 0.0038 0.3653 ( 11224 PWs) bands (ev): -5.7105 -5.7105 -5.4720 -5.4720 -5.2417 -5.2417 -5.1207 -5.1207 -5.0567 -5.0567 -4.9153 -4.9153 -4.9030 -4.9030 -4.8645 -4.8645 2.4575 2.4575 2.7119 2.7119 2.8129 2.8129 2.8661 2.8661 2.9695 2.9695 3.1579 3.1579 3.3657 3.3657 3.4071 3.4071 3.4804 3.4804 3.5120 3.5120 3.8665 3.8665 3.9157 3.9157 4.0547 4.0547 4.1314 4.1314 4.3266 4.3266 4.4183 4.4183 4.4470 4.4470 4.7697 4.7697 4.8866 4.8866 4.9546 4.9546 5.2658 5.2658 5.5065 5.5065 5.5576 5.5576 6.0098 6.0098 8.2497 8.2497 8.7353 8.7353 8.7735 8.7735 9.0011 9.0011 9.0989 9.0989 9.1301 9.1301 9.5565 9.5565 9.7319 9.7319 9.7608 9.7608 9.8319 9.8319 9.8887 9.8887 k = 0.6053-0.0152 0.3760 ( 11217 PWs) bands (ev): -5.6933 -5.6933 -5.4830 -5.4830 -5.2459 -5.2459 -5.1185 -5.1185 -5.0542 -5.0542 -4.9185 -4.9185 -4.9051 -4.9051 -4.8687 -4.8687 2.4824 2.4824 2.6999 2.6999 2.8297 2.8297 2.8706 2.8706 2.9591 2.9591 3.1946 3.1946 3.3544 3.3544 3.4229 3.4229 3.4712 3.4712 3.4908 3.4908 3.8760 3.8760 3.9242 3.9242 4.0343 4.0343 4.1176 4.1176 4.3231 4.3231 4.4068 4.4068 4.4420 4.4420 4.7784 4.7784 4.8643 4.8643 4.9841 4.9841 5.2287 5.2287 5.4789 5.4789 5.5846 5.5846 6.0218 6.0218 8.2508 8.2508 8.7208 8.7208 8.7972 8.7972 9.0403 9.0403 9.0721 9.0721 9.0961 9.0961 9.5581 9.5581 9.7457 9.7457 9.7673 9.7673 9.8291 9.8291 9.9052 9.9052 k = 0.6118-0.0342 0.3868 ( 11211 PWs) bands (ev): -5.6767 -5.6767 -5.4958 -5.4958 -5.2471 -5.2471 -5.1161 -5.1161 -5.0520 -5.0520 -4.9214 -4.9214 -4.9073 -4.9073 -4.8731 -4.8731 2.5067 2.5067 2.6861 2.6861 2.8447 2.8447 2.8765 2.8765 2.9403 2.9403 3.2409 3.2409 3.3391 3.3391 3.4348 3.4348 3.4427 3.4427 3.4990 3.4990 3.8845 3.8845 3.9334 3.9334 4.0162 4.0162 4.1049 4.1049 4.3187 4.3187 4.3905 4.3905 4.4432 4.4432 4.7856 4.7856 4.8413 4.8413 5.0118 5.0118 5.1899 5.1899 5.4516 5.4516 5.6172 5.6172 6.0336 6.0336 8.2521 8.2521 8.7036 8.7036 8.8269 8.8269 9.0155 9.0155 9.0713 9.0713 9.0981 9.0981 9.5477 9.5477 9.7517 9.7517 9.7721 9.7721 9.8345 9.8345 9.9357 9.9357 k = 0.6184-0.0532 0.3975 ( 11208 PWs) bands (ev): -5.6620 -5.6620 -5.5091 -5.5091 -5.2455 -5.2455 -5.1137 -5.1137 -5.0500 -5.0500 -4.9240 -4.9240 -4.9097 -4.9097 -4.8773 -4.8773 2.5288 2.5288 2.6720 2.6720 2.8574 2.8574 2.8830 2.8830 2.9191 2.9191 3.2737 3.2737 3.3363 3.3363 3.4088 3.4088 3.4597 3.4597 3.5069 3.5069 3.8894 3.8894 3.9432 3.9432 4.0034 4.0034 4.0938 4.0938 4.3132 4.3132 4.3734 4.3734 4.4471 4.4471 4.7907 4.7907 4.8187 4.8187 5.0353 5.0353 5.1536 5.1536 5.4264 5.4264 5.6519 5.6519 6.0450 6.0450 8.2540 8.2540 8.6869 8.6869 8.8579 8.8579 8.9579 8.9579 9.0747 9.0747 9.1291 9.1291 9.5273 9.5273 9.7618 9.7618 9.7716 9.7716 9.8437 9.8437 9.9689 9.9689 k = 0.6250-0.0722 0.4082 ( 11202 PWs) bands (ev): -5.6513 -5.6513 -5.5202 -5.5202 -5.2416 -5.2416 -5.1110 -5.1110 -5.0485 -5.0485 -4.9262 -4.9262 -4.9124 -4.9124 -4.8813 -4.8813 2.5447 2.5447 2.6611 2.6611 2.8675 2.8675 2.8839 2.8839 2.9041 2.9041 3.2568 3.2568 3.3720 3.3720 3.3957 3.3957 3.4780 3.4780 3.5152 3.5152 3.8876 3.8876 3.9536 3.9536 3.9993 3.9993 4.0851 4.0851 4.3059 4.3059 4.3572 4.3572 4.4525 4.4525 4.7930 4.7930 4.7976 4.7976 5.0476 5.0476 5.1278 5.1278 5.4036 5.4036 5.6872 5.6872 6.0558 6.0558 8.2567 8.2567 8.6707 8.6707 8.8759 8.8759 8.9148 8.9148 9.0714 9.0714 9.1675 9.1675 9.5014 9.5014 9.7571 9.7571 9.7856 9.7856 9.8559 9.8559 9.9900 9.9900 k = 0.6250-0.0722 0.4082 ( 11202 PWs) bands (ev): -5.6513 -5.6513 -5.5202 -5.5202 -5.2416 -5.2416 -5.1110 -5.1110 -5.0485 -5.0485 -4.9262 -4.9262 -4.9124 -4.9124 -4.8813 -4.8813 2.5447 2.5447 2.6611 2.6611 2.8675 2.8675 2.8839 2.8839 2.9041 2.9041 3.2568 3.2568 3.3720 3.3720 3.3957 3.3957 3.4780 3.4780 3.5152 3.5152 3.8876 3.8876 3.9536 3.9536 3.9993 3.9993 4.0851 4.0851 4.3059 4.3059 4.3572 4.3572 4.4525 4.4525 4.7930 4.7930 4.7976 4.7976 5.0476 5.0476 5.1278 5.1278 5.4036 5.4036 5.6872 5.6872 6.0558 6.0558 8.2567 8.2567 8.6707 8.6707 8.8759 8.8759 8.9148 8.9148 9.0714 9.0714 9.1675 9.1675 9.5014 9.5014 9.7571 9.7571 9.7856 9.7856 9.8559 9.8559 9.9900 9.9900 k = 0.6136-0.0656 0.4268 ( 11205 PWs) bands (ev): -5.6506 -5.6506 -5.5204 -5.5204 -5.2414 -5.2414 -5.1141 -5.1141 -5.0463 -5.0463 -4.9275 -4.9275 -4.9113 -4.9113 -4.8812 -4.8812 2.5455 2.5455 2.6616 2.6616 2.8684 2.8684 2.8840 2.8840 2.9049 2.9049 3.2562 3.2562 3.3715 3.3715 3.3943 3.3943 3.4768 3.4768 3.5147 3.5147 3.8883 3.8883 3.9563 3.9563 3.9990 3.9990 4.0862 4.0862 4.3049 4.3049 4.3565 4.3565 4.4518 4.4518 4.7497 4.7497 4.8346 4.8346 5.0561 5.0561 5.1277 5.1277 5.4052 5.4052 5.6865 5.6865 6.0507 6.0507 8.2593 8.2593 8.6658 8.6658 8.8777 8.8777 8.9150 8.9150 9.0765 9.0765 9.1682 9.1682 9.4997 9.4997 9.7334 9.7334 9.7969 9.7969 9.8682 9.8682 9.9916 9.9916 k = 0.6023-0.0590 0.4454 ( 11215 PWs) bands (ev): -5.6485 -5.6485 -5.5208 -5.5208 -5.2408 -5.2408 -5.1220 -5.1220 -5.0406 -5.0406 -4.9305 -4.9305 -4.9089 -4.9089 -4.8808 -4.8808 2.5480 2.5480 2.6629 2.6629 2.8703 2.8703 2.8841 2.8841 2.9080 2.9080 3.2544 3.2544 3.3698 3.3698 3.3902 3.3902 3.4733 3.4733 3.5133 3.5133 3.8905 3.8905 3.9640 3.9640 3.9980 3.9980 4.0895 4.0895 4.3020 4.3020 4.3544 4.3544 4.4497 4.4497 4.7009 4.7009 4.8659 4.8659 5.0792 5.0792 5.1286 5.1286 5.4098 5.4098 5.6842 5.6842 6.0355 6.0355 8.2668 8.2668 8.6519 8.6519 8.8831 8.8831 8.9157 8.9157 9.0910 9.0910 9.1702 9.1702 9.4943 9.4943 9.6920 9.6920 9.8103 9.8103 9.8957 9.8957 9.9964 9.9964 k = 0.5909-0.0525 0.4639 ( 11214 PWs) bands (ev): -5.6450 -5.6450 -5.5217 -5.5217 -5.2399 -5.2399 -5.1330 -5.1330 -5.0332 -5.0332 -4.9344 -4.9344 -4.9059 -4.9059 -4.8801 -4.8801 2.5522 2.5522 2.6649 2.6649 2.8713 2.8713 2.8842 2.8842 2.9157 2.9157 3.2512 3.2512 3.3669 3.3669 3.3837 3.3837 3.4682 3.4682 3.5110 3.5110 3.8941 3.8941 3.9757 3.9757 3.9968 3.9968 4.0948 4.0948 4.2973 4.2973 4.3505 4.3505 4.4464 4.4464 4.6516 4.6516 4.8903 4.8903 5.1021 5.1021 5.1417 5.1417 5.4172 5.4172 5.6804 5.6804 6.0107 6.0107 8.2788 8.2788 8.6313 8.6313 8.8917 8.8917 8.9174 8.9174 9.1126 9.1126 9.1737 9.1737 9.4857 9.4857 9.6447 9.6447 9.8252 9.8252 9.9267 9.9267 10.0047 10.0047 k = 0.5795-0.0459 0.4825 ( 11224 PWs) bands (ev): -5.6401 -5.6401 -5.5231 -5.5231 -5.2386 -5.2386 -5.1455 -5.1455 -5.0254 -5.0254 -4.9387 -4.9387 -4.9029 -4.9029 -4.8794 -4.8794 2.5579 2.5579 2.6674 2.6674 2.8701 2.8701 2.8838 2.8838 2.9293 2.9293 3.2461 3.2461 3.3625 3.3625 3.3756 3.3756 3.4623 3.4623 3.5077 3.5077 3.8991 3.8991 3.9870 3.9870 3.9990 3.9990 4.1018 4.1018 4.2911 4.2911 4.3443 4.3443 4.4423 4.4423 4.6040 4.6040 4.9104 4.9104 5.1056 5.1056 5.1819 5.1819 5.4273 5.4273 5.6753 5.6753 5.9771 5.9771 8.2946 8.2946 8.6064 8.6064 8.9024 8.9024 8.9212 8.9212 9.1388 9.1388 9.1787 9.1787 9.4738 9.4738 9.5939 9.5939 9.8435 9.8435 9.9555 9.9555 10.0172 10.0172 k = 0.5682-0.0394 0.5010 ( 11224 PWs) bands (ev): -5.6339 -5.6339 -5.5253 -5.5253 -5.2369 -5.2369 -5.1587 -5.1587 -5.0177 -5.0177 -4.9434 -4.9434 -4.8999 -4.8999 -4.8785 -4.8785 2.5653 2.5653 2.6699 2.6699 2.8671 2.8671 2.8829 2.8829 2.9489 2.9489 3.2388 3.2388 3.3565 3.3565 3.3664 3.3664 3.4566 3.4566 3.5037 3.5037 3.9054 3.9054 3.9879 3.9879 4.0139 4.0139 4.1102 4.1102 4.2833 4.2833 4.3354 4.3354 4.4375 4.4375 4.5603 4.5603 4.9286 4.9286 5.1014 5.1014 5.2338 5.2338 5.4395 5.4395 5.6689 5.6689 5.9356 5.9356 8.3133 8.3133 8.5794 8.5794 8.9124 8.9124 8.9297 8.9297 9.1672 9.1672 9.1853 9.1853 9.4590 9.4590 9.5408 9.5408 9.8655 9.8655 9.9792 9.9792 10.0349 10.0349 k = 0.5568-0.0328 0.5196 ( 11226 PWs) bands (ev): -5.6263 -5.6263 -5.5284 -5.5284 -5.2349 -5.2349 -5.1718 -5.1718 -5.0103 -5.0103 -4.9482 -4.9482 -4.8971 -4.8971 -4.8778 -4.8778 2.5741 2.5741 2.6720 2.6720 2.8631 2.8631 2.8814 2.8814 2.9735 2.9735 3.2288 3.2288 3.3491 3.3491 3.3567 3.3567 3.4520 3.4520 3.4989 3.4989 3.9127 3.9127 3.9852 3.9852 4.0336 4.0336 4.1193 4.1193 4.2740 4.2740 4.3236 4.3236 4.4327 4.4327 4.5226 4.5226 4.9459 4.9459 5.0947 5.0947 5.2894 5.2894 5.4537 5.4537 5.6615 5.6615 5.8875 5.8875 8.3338 8.3338 8.5519 8.5519 8.9202 8.9202 8.9444 8.9444 9.1916 9.1916 9.1983 9.1983 9.4417 9.4417 9.4863 9.4863 9.8908 9.8908 9.9969 9.9969 10.0566 10.0566 k = 0.5455-0.0262 0.5381 ( 11223 PWs) bands (ev): -5.6175 -5.6175 -5.5329 -5.5329 -5.2324 -5.2324 -5.1843 -5.1843 -5.0035 -5.0035 -4.9531 -4.9531 -4.8946 -4.8946 -4.8771 -4.8771 2.5843 2.5843 2.6727 2.6727 2.8592 2.8592 2.8794 2.8794 3.0025 3.0025 3.2156 3.2156 3.3405 3.3405 3.3471 3.3471 3.4490 3.4490 3.4936 3.4936 3.9208 3.9208 3.9818 3.9818 4.0544 4.0544 4.1285 4.1285 4.2624 4.2624 4.3101 4.3101 4.4282 4.4282 4.4921 4.4921 4.9628 4.9628 5.0868 5.0868 5.3462 5.3462 5.4693 5.4693 5.6535 5.6535 5.8340 5.8340 8.3552 8.3552 8.5250 8.5250 8.9282 8.9282 8.9621 8.9621 9.2021 9.2021 9.2265 9.2265 9.4208 9.4208 9.4332 9.4332 9.9186 9.9186 10.0102 10.0102 10.0786 10.0786 k = 0.5341-0.0197 0.5567 ( 11217 PWs) bands (ev): -5.6074 -5.6074 -5.5391 -5.5391 -5.2296 -5.2296 -5.1957 -5.1957 -4.9972 -4.9972 -4.9579 -4.9579 -4.8925 -4.8925 -4.8767 -4.8767 2.5958 2.5958 2.6712 2.6712 2.8563 2.8563 2.8765 2.8765 3.0350 3.0350 3.1993 3.1993 3.3311 3.3311 3.3384 3.3384 3.4478 3.4478 3.4881 3.4881 3.9293 3.9293 3.9781 3.9781 4.0748 4.0748 4.1364 4.1364 4.2471 4.2471 4.2982 4.2982 4.4249 4.4249 4.4691 4.4691 4.9790 4.9790 5.0783 5.0783 5.4022 5.4022 5.4861 5.4861 5.6453 5.6453 5.7768 5.7768 8.3766 8.3766 8.4995 8.4995 8.9382 8.9382 8.9797 8.9797 9.2132 9.2132 9.2543 9.2543 9.3764 9.3764 9.4036 9.4036 9.9479 9.9479 10.0207 10.0207 10.0963 10.0963 k = 0.5227-0.0131 0.5753 ( 11206 PWs) bands (ev): -5.5961 -5.5961 -5.5472 -5.5472 -5.2264 -5.2264 -5.2054 -5.2054 -4.9916 -4.9916 -4.9626 -4.9626 -4.8907 -4.8907 -4.8765 -4.8765 2.6084 2.6084 2.6667 2.6667 2.8555 2.8555 2.8729 2.8729 3.0696 3.0696 3.1798 3.1798 3.3219 3.3219 3.3308 3.3308 3.4481 3.4481 3.4828 3.4828 3.9376 3.9376 3.9742 3.9742 4.0938 4.0938 4.1408 4.1408 4.2300 4.2300 4.2903 4.2903 4.4236 4.4236 4.4525 4.4525 4.9935 4.9935 5.0697 5.0697 5.4549 5.4549 5.5035 5.5035 5.6378 5.6378 5.7182 5.7182 8.3971 8.3971 8.4762 8.4762 8.9507 8.9507 8.9936 8.9936 9.2254 9.2254 9.2802 9.2802 9.3282 9.3282 9.3821 9.3821 9.9764 9.9764 10.0292 10.0292 10.1047 10.1048 k = 0.5114-0.0066 0.5938 ( 11203 PWs) bands (ev): -5.5837 -5.5837 -5.5575 -5.5575 -5.2230 -5.2230 -5.2129 -5.2129 -4.9872 -4.9872 -4.9664 -4.9664 -4.8895 -4.8895 -4.8764 -4.8764 2.6210 2.6210 2.6591 2.6591 2.8574 2.8574 2.8682 2.8682 3.1040 3.1040 3.1578 3.1578 3.3155 3.3155 3.3239 3.3239 3.4493 3.4493 3.4785 3.4785 3.9450 3.9450 3.9702 3.9702 4.1109 4.1109 4.1380 4.1380 4.2171 4.2171 4.2865 4.2865 4.4254 4.4254 4.4404 4.4404 5.0045 5.0045 5.0628 5.0628 5.4972 5.4972 5.5230 5.5230 5.6324 5.6324 5.6636 5.6636 8.4160 8.4160 8.4558 8.4558 8.9657 8.9657 8.9991 8.9991 9.2374 9.2374 9.2898 9.2898 9.3031 9.3031 9.3622 9.3622 9.9989 9.9989 10.0363 10.0363 10.1011 10.1011 k = 0.5000-0.0000 0.6124 ( 11180 PWs) bands (ev): -5.5703 -5.5703 -5.5703 -5.5703 -5.2203 -5.2203 -5.2170 -5.2170 -4.9854 -4.9854 -4.9680 -4.9680 -4.8891 -4.8891 -4.8765 -4.8765 2.6288 2.6288 2.6531 2.6531 2.8617 2.8617 2.8629 2.8629 3.1327 3.1327 3.1346 3.1346 3.3158 3.3158 3.3178 3.3178 3.4500 3.4500 3.4767 3.4767 3.9486 3.9486 3.9680 3.9680 4.1241 4.1241 4.1287 4.1287 4.2131 4.2131 4.2854 4.2854 4.4311 4.4311 4.4314 4.4314 5.0088 5.0088 5.0600 5.0600 5.5132 5.5132 5.5378 5.5378 5.6292 5.6292 5.6363 5.6363 8.4282 8.4282 8.4430 8.4430 8.9782 8.9782 8.9946 8.9946 9.2432 9.2432 9.2746 9.2746 9.3145 9.3145 9.3513 9.3513 10.0073 10.0073 10.0407 10.0407 10.1005 10.1008 k = 0.5000-0.0000 0.6124 ( 11180 PWs) bands (ev): -5.5703 -5.5703 -5.5703 -5.5703 -5.2203 -5.2203 -5.2170 -5.2170 -4.9854 -4.9854 -4.9680 -4.9680 -4.8891 -4.8891 -4.8765 -4.8765 2.6288 2.6288 2.6531 2.6531 2.8617 2.8617 2.8629 2.8629 3.1327 3.1327 3.1346 3.1346 3.3158 3.3158 3.3178 3.3178 3.4500 3.4500 3.4767 3.4767 3.9486 3.9486 3.9680 3.9680 4.1241 4.1241 4.1287 4.1287 4.2131 4.2131 4.2854 4.2854 4.4311 4.4311 4.4314 4.4314 5.0088 5.0088 5.0600 5.0600 5.5132 5.5132 5.5378 5.5378 5.6292 5.6292 5.6363 5.6363 8.4282 8.4282 8.4430 8.4430 8.9782 8.9782 8.9946 8.9946 9.2432 9.2432 9.2746 9.2746 9.3145 9.3145 9.3513 9.3513 10.0073 10.0073 10.0407 10.0407 10.1005 10.1005 k = 0.5000 0.0131 0.5938 ( 11204 PWs) bands (ev): -5.5903 -5.5903 -5.5509 -5.5509 -5.2245 -5.2245 -5.2122 -5.2122 -4.9887 -4.9887 -4.9649 -4.9649 -4.8895 -4.8895 -4.8758 -4.8758 2.6141 2.6141 2.6655 2.6655 2.8544 2.8544 2.8726 2.8726 3.0967 3.0967 3.1659 3.1659 3.3089 3.3089 3.3279 3.3279 3.4463 3.4463 3.4785 3.4785 3.9412 3.9412 3.9721 3.9721 4.1067 4.1067 4.1474 4.1474 4.2158 4.2158 4.2881 4.2881 4.4215 4.4215 4.4441 4.4441 5.0022 5.0022 5.0660 5.0660 5.5015 5.5015 5.5367 5.5367 5.6302 5.6302 5.6470 5.6470 8.4109 8.4109 8.4624 8.4624 8.9551 8.9551 9.0125 9.0125 9.2328 9.2328 9.2894 9.2894 9.2981 9.2981 9.3717 9.3717 9.9942 9.9942 10.0292 10.0292 10.0977 10.0977 k = 0.5000 0.0262 0.5753 ( 11218 PWs) bands (ev): -5.6105 -5.6105 -5.5323 -5.5323 -5.2289 -5.2289 -5.2056 -5.2056 -4.9953 -4.9953 -4.9586 -4.9586 -4.8904 -4.8904 -4.8742 -4.8742 2.5901 2.5901 2.6829 2.6829 2.8486 2.8486 2.8853 2.8853 3.0588 3.0588 3.1859 3.1859 3.3116 3.3116 3.3390 3.3390 3.4379 3.4379 3.4816 3.4816 3.9266 3.9266 3.9770 3.9770 4.0908 4.0908 4.1678 4.1678 4.2231 4.2231 4.2957 4.2957 4.4150 4.4150 4.4598 4.4598 4.9876 4.9876 5.0789 5.0789 5.4780 5.4780 5.5264 5.5264 5.6418 5.6418 5.6660 5.6660 8.3899 8.3899 8.4896 8.4896 8.9234 8.9234 9.0272 9.0272 9.2223 9.2223 9.2742 9.2742 9.3148 9.3148 9.4069 9.4069 9.9646 9.9646 10.0003 10.0003 10.1014 10.1014 k = 0.5000 0.0394 0.5567 ( 11214 PWs) bands (ev): -5.6309 -5.6309 -5.5150 -5.5150 -5.2321 -5.2321 -5.1987 -5.1987 -5.0028 -5.0028 -4.9516 -4.9516 -4.8915 -4.8915 -4.8719 -4.8719 2.5642 2.5642 2.6980 2.6980 2.8444 2.8444 2.9000 2.9000 3.0215 3.0215 3.1866 3.1866 3.3317 3.3317 3.3493 3.3493 3.4279 3.4279 3.4833 3.4833 3.9096 3.9096 3.9780 3.9780 4.0800 4.0800 4.1864 4.1864 4.2334 4.2334 4.3076 4.3076 4.4124 4.4124 4.4785 4.4785 4.9699 4.9699 5.0932 5.0932 5.4519 5.4519 5.5084 5.5084 5.6605 5.6605 5.6873 5.6873 8.3705 8.3705 8.5193 8.5193 8.8908 8.8908 9.0283 9.0283 9.2222 9.2222 9.2541 9.2541 9.3415 9.3415 9.4465 9.4465 9.9279 9.9279 9.9646 9.9646 10.1008 10.1008 k = 0.5000 0.0525 0.5381 ( 11214 PWs) bands (ev): -5.6510 -5.6510 -5.4994 -5.4994 -5.2337 -5.2337 -5.1917 -5.1917 -5.0106 -5.0106 -4.9446 -4.9446 -4.8926 -4.8926 -4.8692 -4.8692 2.5375 2.5375 2.7103 2.7103 2.8413 2.8413 2.9156 2.9156 2.9857 2.9857 3.1726 3.1726 3.3581 3.3581 3.3649 3.3649 3.4191 3.4191 3.4830 3.4830 3.8918 3.8918 3.9744 3.9744 4.0752 4.0752 4.2035 4.2035 4.2441 4.2441 4.3224 4.3224 4.4142 4.4142 4.5002 4.5002 4.9509 4.9509 5.1063 5.1063 5.4270 5.4270 5.4867 5.4867 5.6813 5.6813 5.7093 5.7093 8.3527 8.3527 8.5508 8.5508 8.8586 8.8586 9.0159 9.0159 9.2203 9.2203 9.2514 9.2514 9.3679 9.3679 9.4879 9.4879 9.8884 9.8884 9.9273 9.9273 10.0922 10.0922 k = 0.5000 0.0656 0.5196 ( 11212 PWs) bands (ev): -5.6709 -5.6709 -5.4857 -5.4857 -5.2332 -5.2332 -5.1849 -5.1849 -5.0183 -5.0183 -4.9378 -4.9378 -4.8934 -4.8934 -4.8663 -4.8663 2.5107 2.5107 2.7198 2.7198 2.8385 2.8385 2.9294 2.9294 2.9530 2.9530 3.1529 3.1529 3.3659 3.3659 3.3918 3.3918 3.4235 3.4235 3.4806 3.4806 3.8739 3.8739 3.9672 3.9672 4.0759 4.0759 4.2194 4.2194 4.2531 4.2531 4.3383 4.3383 4.4209 4.4209 4.5245 4.5245 4.9311 4.9311 5.1161 5.1161 5.4060 5.4060 5.4638 5.4638 5.7023 5.7023 5.7308 5.7308 8.3364 8.3364 8.5839 8.5839 8.8276 8.8276 8.9945 8.9945 9.2058 9.2058 9.2720 9.2720 9.3934 9.3934 9.5280 9.5280 9.8486 9.8486 9.8921 9.8921 10.0766 10.0766 k = 0.5000 0.0787 0.5010 ( 11214 PWs) bands (ev): -5.6902 -5.6902 -5.4744 -5.4744 -5.2304 -5.2304 -5.1783 -5.1783 -5.0259 -5.0259 -4.9313 -4.9313 -4.8940 -4.8940 -4.8633 -4.8633 2.4841 2.4841 2.7269 2.7269 2.8347 2.8347 2.9209 2.9209 2.9414 2.9414 3.1351 3.1351 3.3721 3.3721 3.3899 3.3899 3.4601 3.4601 3.4771 3.4771 3.8569 3.8569 3.9582 3.9582 4.0806 4.0806 4.2344 4.2344 4.2595 4.2595 4.3535 4.3535 4.4321 4.4321 4.5505 4.5505 4.9107 4.9107 5.1205 5.1205 5.3908 5.3908 5.4419 5.4419 5.7229 5.7229 5.7515 5.7515 8.3214 8.3214 8.6181 8.6181 8.7988 8.7988 8.9684 8.9684 9.1906 9.1906 9.2992 9.2992 9.4174 9.4174 9.5619 9.5619 9.8105 9.8105 9.8641 9.8641 10.0566 10.0566 k = 0.5000 0.0919 0.4825 ( 11214 PWs) bands (ev): -5.7090 -5.7090 -5.4656 -5.4656 -5.2253 -5.2253 -5.1721 -5.1721 -5.0332 -5.0332 -4.9251 -4.9251 -4.8942 -4.8942 -4.8603 -4.8603 2.4581 2.4581 2.7320 2.7320 2.8272 2.8272 2.8982 2.8982 2.9404 2.9404 3.1257 3.1257 3.3765 3.3765 3.3825 3.3825 3.4689 3.4689 3.5082 3.5082 3.8414 3.8414 3.9486 3.9486 4.0880 4.0880 4.2478 4.2478 4.2643 4.2643 4.3674 4.3674 4.4470 4.4470 4.5768 4.5768 4.8900 4.8900 5.1180 5.1180 5.3787 5.3787 5.4270 5.4270 5.7424 5.7424 5.7711 5.7711 8.3073 8.3073 8.6521 8.6521 8.7733 8.7733 8.9400 8.9400 9.1772 9.1772 9.3269 9.3269 9.4392 9.4392 9.5818 9.5818 9.7763 9.7763 9.8513 9.8513 10.0351 10.0351 k = 0.5000 0.1050 0.4639 ( 11212 PWs) bands (ev): -5.7270 -5.7270 -5.4592 -5.4592 -5.2178 -5.2178 -5.1664 -5.1664 -5.0401 -5.0401 -4.9193 -4.9193 -4.8942 -4.8942 -4.8574 -4.8574 2.4329 2.4329 2.7354 2.7354 2.8131 2.8131 2.8843 2.8843 2.9274 2.9274 3.1285 3.1285 3.3733 3.3733 3.3808 3.3808 3.4618 3.4618 3.5557 3.5557 3.8280 3.8280 3.9394 3.9394 4.0974 4.0974 4.2561 4.2561 4.2715 4.2715 4.3794 4.3794 4.4643 4.4643 4.6017 4.6017 4.8689 4.8689 5.1087 5.1087 5.3607 5.3607 5.4288 5.4288 5.7606 5.7606 5.7898 5.7898 8.2939 8.2939 8.6818 8.6818 8.7556 8.7556 8.9106 8.9106 9.1662 9.1662 9.3512 9.3512 9.4577 9.4577 9.5810 9.5810 9.7477 9.7477 9.8611 9.8611 10.0146 10.0146 k = 0.5000 0.1181 0.4454 ( 11220 PWs) bands (ev): -5.7442 -5.7442 -5.4552 -5.4552 -5.2083 -5.2083 -5.1613 -5.1613 -5.0467 -5.0467 -4.9139 -4.9139 -4.8938 -4.8938 -4.8546 -4.8546 2.4087 2.4087 2.7375 2.7375 2.7929 2.7929 2.8783 2.8783 2.9046 2.9046 3.1420 3.1420 3.3659 3.3659 3.3818 3.3818 3.4535 3.4535 3.6038 3.6038 3.8171 3.8171 3.9309 3.9309 4.1084 4.1084 4.2578 4.2578 4.2832 4.2832 4.3892 4.3892 4.4830 4.4830 4.6236 4.6236 4.8476 4.8476 5.0947 5.0947 5.3359 5.3359 5.4475 5.4475 5.7770 5.7770 5.8078 5.8078 8.2810 8.2810 8.6925 8.6925 8.7600 8.7600 8.8807 8.8807 9.1576 9.1576 9.3688 9.3688 9.4710 9.4710 9.5623 9.5623 9.7274 9.7274 9.8914 9.8914 9.9980 9.9980 k = 0.5000 0.1312 0.4268 ( 11226 PWs) bands (ev): -5.7605 -5.7605 -5.4531 -5.4531 -5.1972 -5.1972 -5.1567 -5.1567 -5.0528 -5.0528 -4.9089 -4.9089 -4.8931 -4.8931 -4.8520 -4.8520 2.3857 2.3857 2.7384 2.7384 2.7701 2.7701 2.8687 2.8687 2.8848 2.8848 3.1623 3.1623 3.3589 3.3589 3.3813 3.3813 3.4447 3.4447 3.6516 3.6516 3.8092 3.8092 3.9235 3.9235 4.1208 4.1208 4.2569 4.2569 4.2960 4.2960 4.3962 4.3962 4.5023 4.5023 4.6413 4.6413 4.8259 4.8259 5.0788 5.0788 5.3078 5.3078 5.4772 5.4772 5.7914 5.7914 5.8256 5.8256 8.2683 8.2683 8.6820 8.6820 8.7886 8.7886 8.8510 8.8510 9.1516 9.1516 9.3766 9.3766 9.4754 9.4754 9.5365 9.5365 9.7185 9.7185 9.9313 9.9313 9.9897 9.9897 k = 0.5000 0.1443 0.4082 ( 11212 PWs) bands (ev): -5.7757 -5.7757 -5.4526 -5.4526 -5.1850 -5.1850 -5.1528 -5.1528 -5.0583 -5.0583 -4.9043 -4.9043 -4.8922 -4.8922 -4.8496 -4.8496 2.3641 2.3641 2.7379 2.7379 2.7474 2.7474 2.8396 2.8396 2.8848 2.8848 3.1860 3.1860 3.3525 3.3525 3.3789 3.3789 3.4357 3.4357 3.6980 3.6980 3.8044 3.8044 3.9174 3.9174 4.1344 4.1344 4.2553 4.2553 4.3085 4.3085 4.4002 4.4002 4.5217 4.5217 4.6544 4.6544 4.8040 4.8040 5.0632 5.0632 5.2781 5.2781 5.5141 5.5141 5.8036 5.8036 5.8432 5.8432 8.2558 8.2558 8.6665 8.6665 8.8150 8.8150 8.8314 8.8314 9.1480 9.1480 9.3730 9.3730 9.4620 9.4620 9.5175 9.5175 9.7230 9.7230 9.9578 9.9578 10.0068 10.0068 k = 0.5000 0.1575 0.3897 ( 11220 PWs) bands (ev): -5.7899 -5.7899 -5.4533 -5.4533 -5.1723 -5.1723 -5.1493 -5.1493 -5.0632 -5.0632 -4.9002 -4.9002 -4.8910 -4.8910 -4.8475 -4.8475 2.3440 2.3440 2.7247 2.7247 2.7371 2.7371 2.8081 2.8081 2.8889 2.8889 3.2111 3.2111 3.3466 3.3466 3.3747 3.3747 3.4267 3.4267 3.7422 3.7422 3.8028 3.8028 3.9127 3.9127 4.1494 4.1494 4.2535 4.2535 4.3203 4.3203 4.4008 4.4008 4.5407 4.5407 4.6629 4.6629 4.7818 4.7818 5.0496 5.0496 5.2477 5.2477 5.5555 5.5555 5.8139 5.8139 5.8606 5.8606 8.2433 8.2433 8.6517 8.6517 8.7894 8.7894 8.8665 8.8665 9.1467 9.1467 9.3597 9.3597 9.4313 9.4313 9.5080 9.5080 9.7401 9.7401 9.9647 9.9647 10.0512 10.0512 k = 0.5000 0.1706 0.3711 ( 11222 PWs) bands (ev): -5.8029 -5.8029 -5.4548 -5.4548 -5.1600 -5.1600 -5.1460 -5.1460 -5.0674 -5.0674 -4.8964 -4.8964 -4.8897 -4.8897 -4.8457 -4.8457 2.3255 2.3255 2.7044 2.7044 2.7334 2.7334 2.7789 2.7789 2.8943 2.8943 3.2363 3.2363 3.3412 3.3412 3.3691 3.3691 3.4181 3.4181 3.7825 3.7825 3.8047 3.8047 3.9099 3.9099 4.1656 4.1656 4.2524 4.2524 4.3312 4.3312 4.3979 4.3979 4.5589 4.5589 4.6675 4.6675 4.7594 4.7594 5.0386 5.0386 5.2170 5.2170 5.5991 5.5991 5.8225 5.8225 5.8777 5.8777 8.2308 8.2308 8.6388 8.6388 8.7604 8.7604 8.9061 8.9061 9.1474 9.1474 9.3398 9.3398 9.3947 9.3947 9.4984 9.4984 9.7672 9.7672 9.9722 9.9722 10.0984 10.0984 k = 0.5000 0.1837 0.3526 ( 11222 PWs) bands (ev): -5.8146 -5.8146 -5.4567 -5.4567 -5.1505 -5.1505 -5.1408 -5.1408 -5.0709 -5.0709 -4.8931 -4.8931 -4.8883 -4.8883 -4.8443 -4.8443 2.3087 2.3087 2.6857 2.6857 2.7242 2.7242 2.7568 2.7568 2.9004 2.9004 3.2609 3.2609 3.3365 3.3365 3.3622 3.3622 3.4100 3.4100 3.8068 3.8068 3.8198 3.8198 3.9102 3.9102 4.1828 4.1828 4.2525 4.2525 4.3411 4.3411 4.3914 4.3914 4.5760 4.5760 4.6691 4.6691 4.7369 4.7369 5.0303 5.0303 5.1866 5.1866 5.6428 5.6428 5.8297 5.8297 5.8944 5.8944 8.2184 8.2184 8.6280 8.6280 8.7321 8.7321 8.9460 8.9460 9.1497 9.1497 9.3165 9.3165 9.3578 9.3578 9.4851 9.4851 9.8014 9.8014 9.9840 9.9840 10.1390 10.1390 k = 0.5000 0.1968 0.3340 ( 11218 PWs) bands (ev): -5.8251 -5.8251 -5.4589 -5.4589 -5.1466 -5.1466 -5.1314 -5.1314 -5.0737 -5.0737 -4.8902 -4.8902 -4.8869 -4.8869 -4.8431 -4.8431 2.2936 2.2936 2.6690 2.6690 2.7059 2.7059 2.7462 2.7462 2.9066 2.9066 3.2839 3.2839 3.3324 3.3324 3.3546 3.3546 3.4025 3.4025 3.8140 3.8140 3.8453 3.8453 3.9160 3.9160 4.1999 4.1999 4.2554 4.2554 4.3499 4.3499 4.3818 4.3818 4.5917 4.5917 4.6684 4.6684 4.7148 4.7148 5.0241 5.0241 5.1572 5.1572 5.6847 5.6847 5.8361 5.8361 5.9107 5.9107 8.2063 8.2063 8.6194 8.6194 8.7052 8.7052 8.9855 8.9855 9.1532 9.1532 9.2922 9.2922 9.3229 9.3229 9.4680 9.4680 9.8406 9.8406 10.0000 10.0000 10.1668 10.1668 k = 0.5000 0.2099 0.3155 ( 11212 PWs) bands (ev): -5.8343 -5.8343 -5.4611 -5.4611 -5.1451 -5.1451 -5.1211 -5.1211 -5.0757 -5.0757 -4.8877 -4.8877 -4.8855 -4.8855 -4.8423 -4.8423 2.2805 2.2805 2.6542 2.6542 2.6844 2.6844 2.7417 2.7417 2.9129 2.9129 3.3048 3.3048 3.3290 3.3290 3.3467 3.3467 3.3960 3.3960 3.8221 3.8221 3.8603 3.8603 3.9289 3.9289 4.2141 4.2141 4.2640 4.2640 4.3567 4.3567 4.3703 4.3703 4.6056 4.6056 4.6644 4.6644 4.6953 4.6953 5.0194 5.0194 5.1296 5.1296 5.7228 5.7228 5.8419 5.8419 5.9264 5.9264 8.1948 8.1948 8.6128 8.6128 8.6801 8.6801 9.0242 9.0242 9.1574 9.1574 9.2683 9.2683 9.2917 9.2917 9.4476 9.4476 9.8830 9.8830 10.0189 10.0189 10.1792 10.1792 k = 0.5000 0.2231 0.2969 ( 11228 PWs) bands (ev): -5.8422 -5.8422 -5.4632 -5.4632 -5.1444 -5.1444 -5.1119 -5.1119 -5.0769 -5.0769 -4.8858 -4.8858 -4.8841 -4.8841 -4.8417 -4.8417 2.2692 2.2692 2.6415 2.6415 2.6645 2.6645 2.7391 2.7391 2.9188 2.9188 3.3206 3.3206 3.3287 3.3287 3.3390 3.3390 3.3905 3.3905 3.8309 3.8309 3.8668 3.8668 3.9460 3.9460 4.2226 4.2226 4.2810 4.2810 4.3531 4.3531 4.3668 4.3668 4.6173 4.6173 4.6520 4.6520 4.6842 4.6842 5.0153 5.0153 5.1048 5.1048 5.7555 5.7555 5.8476 5.8476 5.9414 5.9414 8.1841 8.1841 8.6081 8.6081 8.6575 8.6575 9.0616 9.0616 9.1618 9.1618 9.2455 9.2455 9.2654 9.2654 9.4250 9.4250 9.9277 9.9277 10.0399 10.0399 10.1819 10.1819 k = 0.5000 0.2362 0.2784 ( 11234 PWs) bands (ev): -5.8487 -5.8487 -5.4651 -5.4651 -5.1441 -5.1441 -5.1046 -5.1046 -5.0771 -5.0771 -4.8843 -4.8843 -4.8827 -4.8827 -4.8414 -4.8414 2.2599 2.2599 2.6307 2.6307 2.6477 2.6477 2.7372 2.7372 2.9241 2.9241 3.3217 3.3217 3.3320 3.3320 3.3404 3.3404 3.3863 3.3863 3.8394 3.8394 3.8696 3.8696 3.9623 3.9623 4.2264 4.2264 4.3041 4.3041 4.3400 4.3400 4.3715 4.3715 4.6246 4.6246 4.6336 4.6336 4.6819 4.6819 5.0109 5.0109 5.0841 5.0841 5.7811 5.7811 5.8538 5.8538 5.9554 5.9554 8.1746 8.1746 8.6049 8.6049 8.6380 8.6380 9.0969 9.0969 9.1659 9.1659 9.2254 9.2254 9.2444 9.2444 9.4008 9.4008 9.9736 9.9736 10.0617 10.0617 10.1803 10.1803 k = 0.5000 0.2493 0.2598 ( 11242 PWs) bands (ev): -5.8537 -5.8537 -5.4666 -5.4666 -5.1440 -5.1440 -5.0994 -5.0994 -5.0764 -5.0764 -4.8833 -4.8833 -4.8815 -4.8815 -4.8412 -4.8412 2.2527 2.2527 2.6218 2.6218 2.6349 2.6349 2.7358 2.7358 2.9285 2.9285 3.3201 3.3201 3.3261 3.3261 3.3514 3.3514 3.3841 3.3841 3.8466 3.8466 3.8715 3.8715 3.9756 3.9756 4.2282 4.2282 4.3255 4.3255 4.3308 4.3308 4.3761 4.3761 4.6077 4.6077 4.6350 4.6350 4.6830 4.6830 5.0057 5.0057 5.0686 5.0686 5.7991 5.7991 5.8605 5.8605 5.9679 5.9679 8.1668 8.1668 8.6028 8.6028 8.6222 8.6222 9.1285 9.1285 9.1690 9.1690 9.2104 9.2104 9.2283 9.2283 9.3763 9.3763 10.0197 10.0197 10.0838 10.0838 10.1762 10.1762 k = 0.5000 0.2624 0.2412 ( 11240 PWs) bands (ev): -5.8573 -5.8573 -5.4678 -5.4678 -5.1441 -5.1441 -5.0963 -5.0963 -5.0750 -5.0750 -4.8826 -4.8826 -4.8806 -4.8806 -4.8411 -4.8411 2.2475 2.2475 2.6149 2.6149 2.6261 2.6261 2.7348 2.7348 2.9319 2.9319 3.3188 3.3188 3.3216 3.3216 3.3582 3.3582 3.3839 3.3839 3.8515 3.8515 3.8735 3.8735 3.9851 3.9851 4.2290 4.2290 4.3163 4.3163 4.3524 4.3524 4.3804 4.3804 4.5869 4.5869 4.6393 4.6393 4.6850 4.6850 5.0000 5.0000 5.0586 5.0586 5.8100 5.8100 5.8669 5.8669 5.9779 5.9779 8.1608 8.1608 8.6017 8.6017 8.6105 8.6105 9.1517 9.1517 9.1722 9.1722 9.2032 9.2032 9.2170 9.2170 9.3529 9.3529 10.0640 10.0640 10.1051 10.1051 10.1694 10.1694 k = 0.5000 0.2756 0.2227 ( 11242 PWs) bands (ev): -5.8595 -5.8595 -5.4685 -5.4685 -5.1441 -5.1441 -5.0948 -5.0948 -5.0738 -5.0738 -4.8822 -4.8822 -4.8800 -4.8800 -4.8411 -4.8411 2.2443 2.2443 2.6103 2.6103 2.6211 2.6211 2.7342 2.7342 2.9340 2.9340 3.3180 3.3180 3.3188 3.3188 3.3612 3.3612 3.3850 3.3850 3.8540 3.8540 3.8753 3.8753 3.9908 3.9908 4.2294 4.2294 4.3095 4.3095 4.3671 4.3671 4.3856 4.3856 4.5711 4.5711 4.6418 4.6418 4.6869 4.6869 4.9955 4.9955 5.0534 5.0534 5.8156 5.8156 5.8714 5.8714 5.9844 5.9844 8.1571 8.1571 8.6010 8.6010 8.6034 8.6034 9.1583 9.1583 9.1806 9.1806 9.2009 9.2009 9.2136 9.2136 9.3342 9.3342 10.1021 10.1021 10.1247 10.1247 10.1600 10.1600 k = 0.5000 0.2887 0.2041 ( 11228 PWs) bands (ev): -5.8603 -5.8603 -5.4687 -5.4687 -5.1441 -5.1441 -5.0943 -5.0943 -5.0733 -5.0733 -4.8820 -4.8820 -4.8798 -4.8798 -4.8411 -4.8411 2.2433 2.2433 2.6087 2.6087 2.6195 2.6195 2.7340 2.7340 2.9347 2.9347 3.3176 3.3176 3.3179 3.3179 3.3619 3.3619 3.3857 3.3857 3.8547 3.8547 3.8761 3.8761 3.9927 3.9927 4.2295 4.2295 4.3072 4.3072 4.3712 4.3712 4.3890 4.3890 4.5650 4.5650 4.6426 4.6426 4.6876 4.6876 4.9938 4.9938 5.0518 5.0518 5.8173 5.8173 5.8731 5.8731 5.9866 5.9866 8.1558 8.1558 8.6005 8.6005 8.6014 8.6014 9.1583 9.1583 9.1852 9.1852 9.1987 9.1987 9.2159 9.2159 9.3265 9.3265 10.1199 10.1199 10.1361 10.1361 10.1527 10.1527 k = 0.5000 0.2887 0.2041 ( 11228 PWs) bands (ev): -5.8603 -5.8603 -5.4687 -5.4687 -5.1441 -5.1441 -5.0943 -5.0943 -5.0733 -5.0733 -4.8820 -4.8820 -4.8798 -4.8798 -4.8411 -4.8411 2.2433 2.2433 2.6087 2.6087 2.6195 2.6195 2.7340 2.7340 2.9347 2.9347 3.3176 3.3176 3.3179 3.3179 3.3619 3.3619 3.3857 3.3857 3.8547 3.8547 3.8761 3.8761 3.9927 3.9927 4.2295 4.2295 4.3072 4.3072 4.3712 4.3712 4.3890 4.3890 4.5650 4.5650 4.6426 4.6426 4.6876 4.6876 4.9938 4.9938 5.0518 5.0518 5.8173 5.8173 5.8731 5.8731 5.9866 5.9866 8.1558 8.1558 8.6005 8.6005 8.6014 8.6014 9.1583 9.1583 9.1852 9.1852 9.1987 9.1987 9.2159 9.2159 9.3265 9.3265 10.1199 10.1199 10.1361 10.1361 10.1527 10.1527 k = 0.4934 0.2849 0.2256 ( 11246 PWs) bands (ev): -5.8595 -5.8595 -5.4685 -5.4685 -5.1441 -5.1441 -5.0948 -5.0948 -5.0738 -5.0738 -4.8822 -4.8822 -4.8800 -4.8800 -4.8411 -4.8411 2.2443 2.2443 2.6103 2.6103 2.6211 2.6211 2.7342 2.7342 2.9340 2.9340 3.3180 3.3180 3.3188 3.3188 3.3612 3.3612 3.3850 3.3850 3.8540 3.8540 3.8753 3.8753 3.9908 3.9908 4.2294 4.2294 4.3095 4.3095 4.3671 4.3671 4.3856 4.3856 4.5711 4.5711 4.6418 4.6418 4.6868 4.6868 4.9955 4.9955 5.0534 5.0534 5.8156 5.8156 5.8714 5.8714 5.9844 5.9844 8.1571 8.1571 8.6010 8.6010 8.6034 8.6034 9.1583 9.1583 9.1806 9.1806 9.2009 9.2009 9.2137 9.2137 9.3342 9.3342 10.1020 10.1020 10.1247 10.1247 10.1599 10.1599 k = 0.4868 0.2811 0.2471 ( 11248 PWs) bands (ev): -5.8573 -5.8573 -5.4678 -5.4678 -5.1441 -5.1441 -5.0963 -5.0963 -5.0751 -5.0751 -4.8826 -4.8826 -4.8806 -4.8806 -4.8411 -4.8411 2.2475 2.2475 2.6149 2.6149 2.6261 2.6261 2.7348 2.7348 2.9319 2.9319 3.3188 3.3188 3.3216 3.3216 3.3582 3.3582 3.3839 3.3839 3.8514 3.8514 3.8735 3.8735 3.9851 3.9851 4.2290 4.2290 4.3163 4.3163 4.3523 4.3523 4.3804 4.3804 4.5870 4.5870 4.6393 4.6393 4.6850 4.6850 5.0000 5.0000 5.0587 5.0587 5.8100 5.8100 5.8668 5.8668 5.9778 5.9778 8.1608 8.1608 8.6016 8.6016 8.6106 8.6106 9.1510 9.1510 9.1739 9.1739 9.2009 9.2009 9.2182 9.2182 9.3530 9.3530 10.0636 10.0636 10.1057 10.1057 10.1680 10.1680 k = 0.4803 0.2773 0.2686 ( 11240 PWs) bands (ev): -5.8537 -5.8537 -5.4666 -5.4666 -5.1441 -5.1441 -5.0994 -5.0994 -5.0764 -5.0764 -4.8833 -4.8833 -4.8815 -4.8815 -4.8412 -4.8412 2.2527 2.2527 2.6218 2.6218 2.6350 2.6350 2.7358 2.7358 2.9285 2.9285 3.3202 3.3202 3.3261 3.3261 3.3513 3.3513 3.3841 3.3841 3.8463 3.8463 3.8717 3.8717 3.9755 3.9755 4.2283 4.2283 4.3238 4.3238 4.3322 4.3322 4.3762 4.3762 4.6079 4.6079 4.6348 4.6348 4.6831 4.6831 5.0054 5.0054 5.0689 5.0689 5.7994 5.7994 5.8597 5.8597 5.9681 5.9681 8.1668 8.1668 8.6027 8.6027 8.6224 8.6224 9.1271 9.1271 9.1744 9.1744 9.2023 9.2023 9.2323 9.2323 9.3765 9.3765 10.0190 10.0190 10.0853 10.0853 10.1704 10.1704 k = 0.4737 0.2735 0.2901 ( 11240 PWs) bands (ev): -5.8486 -5.8486 -5.4651 -5.4651 -5.1442 -5.1442 -5.1044 -5.1044 -5.0772 -5.0772 -4.8843 -4.8843 -4.8828 -4.8828 -4.8414 -4.8414 2.2600 2.2600 2.6306 2.6306 2.6481 2.6481 2.7372 2.7372 2.9240 2.9240 3.3219 3.3219 3.3319 3.3319 3.3403 3.3403 3.3865 3.3865 3.8383 3.8383 3.8710 3.8710 3.9620 3.9620 4.2269 4.2269 4.3013 4.3013 4.3415 4.3415 4.3718 4.3718 4.6249 4.6249 4.6334 4.6334 4.6826 4.6826 5.0094 5.0094 5.0853 5.0853 5.7827 5.7827 5.8502 5.8502 5.9570 5.9570 8.1747 8.1747 8.6046 8.6046 8.6387 8.6387 9.0954 9.0954 9.1743 9.1743 9.2101 9.2101 9.2527 9.2527 9.4011 9.4011 9.9729 9.9729 10.0643 10.0643 10.1666 10.1666 k = 0.4671 0.2697 0.3116 ( 11228 PWs) bands (ev): -5.8421 -5.8421 -5.4632 -5.4632 -5.1449 -5.1449 -5.1111 -5.1111 -5.0773 -5.0773 -4.8857 -4.8857 -4.8842 -4.8842 -4.8417 -4.8417 2.2694 2.2694 2.6412 2.6412 2.6652 2.6652 2.7391 2.7391 2.9187 2.9187 3.3206 3.3206 3.3285 3.3285 3.3390 3.3390 3.3907 3.3907 3.8277 3.8277 3.8712 3.8712 3.9446 3.9446 4.2247 4.2247 4.2745 4.2745 4.3561 4.3561 4.3671 4.3671 4.6166 4.6166 4.6532 4.6532 4.6860 4.6860 5.0110 5.0110 5.1078 5.1078 5.7600 5.7600 5.8367 5.8367 5.9472 5.9472 8.1839 8.1839 8.6075 8.6075 8.6589 8.6589 9.0605 9.0605 9.1717 9.1717 9.2229 9.2229 9.2790 9.2790 9.4253 9.4253 9.9274 9.9274 10.0429 10.0429 10.1572 10.1572 k = 0.4605 0.2659 0.3330 ( 11234 PWs) bands (ev): -5.8342 -5.8342 -5.4611 -5.4611 -5.1469 -5.1469 -5.1185 -5.1185 -5.0766 -5.0766 -4.8876 -4.8876 -4.8857 -4.8857 -4.8423 -4.8423 2.2807 2.2807 2.6535 2.6535 2.6856 2.6856 2.7417 2.7417 2.9129 2.9129 3.3042 3.3042 3.3295 3.3295 3.3465 3.3465 3.3965 3.3965 3.8149 3.8149 3.8721 3.8721 3.9243 3.9243 4.2211 4.2211 4.2491 4.2491 4.3615 4.3615 4.3714 4.3714 4.6040 4.6040 4.6690 4.6690 4.6978 4.6978 5.0100 5.0100 5.1352 5.1352 5.7319 5.7319 5.8176 5.8176 5.9410 5.9410 8.1941 8.1941 8.6118 8.6118 8.6828 8.6828 9.0242 9.0242 9.1673 9.1673 9.2384 9.2384 9.3109 9.3109 9.4479 9.4479 9.8838 9.8838 10.0215 10.0215 10.1419 10.1419 k = 0.4539 0.2621 0.3545 ( 11242 PWs) bands (ev): -5.8250 -5.8250 -5.4589 -5.4589 -5.1517 -5.1517 -5.1247 -5.1247 -5.0753 -5.0753 -4.8899 -4.8899 -4.8873 -4.8873 -4.8432 -4.8432 2.2939 2.2939 2.6675 2.6675 2.7078 2.7078 2.7463 2.7463 2.9068 2.9068 3.2829 3.2829 3.3334 3.3334 3.3541 3.3541 3.4035 3.4035 3.7992 3.7992 3.8732 3.8732 3.9030 3.9030 4.2138 4.2138 4.2277 4.2277 4.3564 4.3564 4.3850 4.3850 4.5890 4.5890 4.6791 4.6791 4.7186 4.7186 5.0064 5.0064 5.1661 5.1661 5.6994 5.6994 5.7922 5.7922 5.9394 5.9394 8.2045 8.2045 8.6179 8.6179 8.7099 8.7099 8.9876 8.9876 9.1617 9.1617 9.2546 9.2546 9.3479 9.3479 9.4679 9.4679 9.8438 9.8438 10.0003 10.0003 10.1201 10.1201 k = 0.4474 0.2583 0.3760 ( 11230 PWs) bands (ev): -5.8144 -5.8144 -5.4568 -5.4568 -5.1606 -5.1606 -5.1279 -5.1279 -5.0737 -5.0737 -4.8925 -4.8925 -4.8891 -4.8891 -4.8445 -4.8445 2.3090 2.3090 2.6830 2.6830 2.7260 2.7260 2.7578 2.7578 2.9010 2.9010 3.2595 3.2595 3.3384 3.3384 3.3613 3.3613 3.4114 3.4114 3.7792 3.7792 3.8720 3.8720 3.8859 3.8859 4.1975 4.1975 4.2157 4.2157 4.3512 4.3512 4.3968 4.3968 4.5724 4.5724 4.6885 4.6885 4.7433 4.7433 5.0003 5.0003 5.1990 5.1990 5.6637 5.6637 5.7617 5.7617 5.9418 5.9418 8.2146 8.2146 8.6262 8.6262 8.7399 8.7399 8.9514 8.9514 9.1552 9.1552 9.2695 9.2695 9.3893 9.3893 9.4845 9.4845 9.8093 9.8093 9.9795 9.9795 10.0912 10.0912 k = 0.4408 0.2545 0.3975 ( 11236 PWs) bands (ev): -5.8026 -5.8026 -5.4550 -5.4550 -5.1724 -5.1724 -5.1289 -5.1289 -5.0717 -5.0717 -4.8954 -4.8954 -4.8909 -4.8909 -4.8461 -4.8461 2.3259 2.3259 2.6999 2.6999 2.7339 2.7339 2.7818 2.7818 2.8962 2.8962 3.2345 3.2345 3.3443 3.3443 3.3677 3.3677 3.4203 3.4203 3.7531 3.7531 3.8617 3.8617 3.8830 3.8830 4.1774 4.1774 4.2070 4.2070 4.3465 4.3465 4.4060 4.4060 4.5545 4.5545 4.6990 4.6990 4.7699 4.7699 4.9917 4.9917 5.2325 5.2325 5.6261 5.6261 5.7277 5.7277 5.9473 5.9473 8.2239 8.2239 8.6370 8.6370 8.7723 8.7723 8.9164 8.9164 9.1481 9.1481 9.2806 9.2806 9.4339 9.4339 9.4978 9.4978 9.7826 9.7826 9.9594 9.9594 10.0554 10.0554 k = 0.4342 0.2507 0.4190 ( 11230 PWs) bands (ev): -5.7896 -5.7896 -5.4538 -5.4538 -5.1858 -5.1858 -5.1286 -5.1286 -5.0695 -5.0695 -4.8985 -4.8985 -4.8928 -4.8928 -4.8481 -4.8481 2.3445 2.3445 2.7178 2.7178 2.7362 2.7362 2.8114 2.8114 2.8940 2.8940 3.2088 3.2088 3.3513 3.3513 3.3729 3.3729 3.4298 3.4298 3.7204 3.7204 3.8522 3.8522 3.8858 3.8858 4.1573 4.1573 4.1973 4.1973 4.3423 4.3423 4.4128 4.4128 4.5358 4.5358 4.7108 4.7108 4.7981 4.7981 4.9804 4.9804 5.2647 5.2647 5.5887 5.5887 5.6916 5.6916 5.9550 5.9550 8.2318 8.2318 8.6506 8.6506 8.8066 8.8066 8.8833 8.8833 9.1404 9.1404 9.2844 9.2844 9.4775 9.4775 9.5118 9.5118 9.7654 9.7654 9.9402 9.9402 10.0141 10.0141 k = 0.4276 0.2469 0.4405 ( 11226 PWs) bands (ev): -5.7755 -5.7755 -5.4535 -5.4535 -5.1996 -5.1996 -5.1276 -5.1276 -5.0671 -5.0671 -4.9018 -4.9018 -4.8948 -4.8948 -4.8506 -4.8506 2.3646 2.3646 2.7340 2.7340 2.7386 2.7386 2.8388 2.8388 2.8983 2.8983 3.1836 3.1836 3.3595 3.3595 3.3764 3.3764 3.4397 3.4397 3.6825 3.6825 3.8476 3.8476 3.8900 3.8900 4.1374 4.1374 4.1861 4.1861 4.3387 4.3387 4.4174 4.4174 4.5166 4.5166 4.7233 4.7233 4.8275 4.8275 4.9667 4.9667 5.2926 5.2926 5.5543 5.5543 5.6547 5.6547 5.9643 5.9643 8.2382 8.2382 8.6670 8.6670 8.8389 8.8389 8.8560 8.8560 9.1322 9.1322 9.2770 9.2770 9.5035 9.5035 9.5453 9.5453 9.7575 9.7575 9.9222 9.9222 9.9698 9.9698 k = 0.4211 0.2431 0.4620 ( 11212 PWs) bands (ev): -5.7604 -5.7604 -5.4548 -5.4548 -5.2128 -5.2128 -5.1262 -5.1262 -5.0645 -5.0645 -4.9051 -4.9051 -4.8968 -4.8968 -4.8535 -4.8535 2.3862 2.3862 2.7330 2.7330 2.7565 2.7565 2.8546 2.8546 2.9161 2.9161 3.1607 3.1607 3.3688 3.3688 3.3780 3.3780 3.4500 3.4500 3.6412 3.6412 3.8476 3.8476 3.8952 3.8952 4.1173 4.1173 4.1735 4.1735 4.3355 4.3355 4.4203 4.4203 4.4973 4.4973 4.7359 4.7359 4.8578 4.8578 4.9506 4.9506 5.3111 5.3111 5.5281 5.5281 5.6181 5.6181 5.9748 5.9748 8.2429 8.2429 8.6861 8.6861 8.8211 8.8211 8.8828 8.8828 9.1239 9.1239 9.2562 9.2562 9.5172 9.5172 9.5946 9.5946 9.7568 9.7568 9.9050 9.9050 9.9264 9.9264 k = 0.4145 0.2393 0.4835 ( 11213 PWs) bands (ev): -5.7444 -5.7444 -5.4580 -5.4580 -5.2247 -5.2247 -5.1246 -5.1246 -5.0619 -5.0619 -4.9086 -4.9086 -4.8988 -4.8988 -4.8568 -4.8568 2.4090 2.4090 2.7285 2.7285 2.7758 2.7758 2.8602 2.8602 2.9429 2.9429 3.1439 3.1439 3.3759 3.3759 3.3810 3.3810 3.4604 3.4604 3.5980 3.5980 3.8513 3.8513 3.9012 3.9012 4.0968 4.0968 4.1599 4.1599 4.3326 4.3326 4.4220 4.4220 4.4783 4.4783 4.7481 4.7481 4.8880 4.8880 4.9332 4.9332 5.3132 5.3132 5.5170 5.5170 5.5831 5.5831 5.9860 5.9860 8.2462 8.2462 8.7075 8.7075 8.7956 8.7956 8.9213 8.9213 9.1155 9.1155 9.2228 9.2228 9.5315 9.5315 9.6458 9.6458 9.7595 9.7595 9.8798 9.8798 9.8975 9.8975 k = 0.4079 0.2355 0.5049 ( 11218 PWs) bands (ev): -5.7277 -5.7277 -5.4637 -5.4637 -5.2345 -5.2345 -5.1227 -5.1227 -5.0593 -5.0593 -4.9120 -4.9120 -4.9009 -4.9009 -4.8605 -4.8605 2.4329 2.4329 2.7215 2.7215 2.7947 2.7947 2.8630 2.8630 2.9643 2.9643 3.1404 3.1404 3.3728 3.3728 3.3929 3.3929 3.4707 3.4707 3.5544 3.5544 3.8579 3.8579 3.9081 3.9081 4.0758 4.0758 4.1457 4.1457 4.3297 4.3297 4.4220 4.4220 4.4605 4.4605 4.7595 4.7595 4.9045 4.9045 4.9277 4.9277 5.2963 5.2963 5.5199 5.5199 5.5544 5.5544 5.9978 5.9978 8.2483 8.2483 8.7288 8.7288 8.7748 8.7748 8.9610 8.9610 9.1072 9.1072 9.1796 9.1796 9.5459 9.5459 9.6941 9.6941 9.7615 9.7615 9.8492 9.8492 9.8877 9.8877 k = 0.4013 0.2317 0.5264 ( 11224 PWs) bands (ev): -5.7105 -5.7105 -5.4720 -5.4720 -5.2417 -5.2417 -5.1207 -5.1207 -5.0567 -5.0567 -4.9153 -4.9153 -4.9030 -4.9030 -4.8645 -4.8645 2.4575 2.4575 2.7119 2.7119 2.8129 2.8129 2.8661 2.8661 2.9695 2.9695 3.1579 3.1579 3.3657 3.3657 3.4071 3.4071 3.4804 3.4804 3.5120 3.5120 3.8665 3.8665 3.9157 3.9157 4.0547 4.0547 4.1314 4.1314 4.3266 4.3266 4.4183 4.4183 4.4470 4.4470 4.7697 4.7697 4.8866 4.8866 4.9546 4.9546 5.2658 5.2658 5.5065 5.5065 5.5576 5.5576 6.0098 6.0098 8.2497 8.2497 8.7353 8.7353 8.7735 8.7735 9.0011 9.0011 9.0989 9.0989 9.1301 9.1301 9.5565 9.5565 9.7319 9.7319 9.7608 9.7608 9.8319 9.8319 9.8887 9.8887 k = 0.3947 0.2279 0.5479 ( 11217 PWs) bands (ev): -5.6933 -5.6933 -5.4830 -5.4830 -5.2459 -5.2459 -5.1185 -5.1185 -5.0542 -5.0542 -4.9185 -4.9185 -4.9051 -4.9051 -4.8687 -4.8687 2.4824 2.4824 2.6999 2.6999 2.8297 2.8297 2.8706 2.8706 2.9591 2.9591 3.1946 3.1946 3.3544 3.3544 3.4229 3.4229 3.4712 3.4712 3.4908 3.4908 3.8760 3.8760 3.9242 3.9242 4.0343 4.0343 4.1176 4.1176 4.3231 4.3231 4.4068 4.4068 4.4420 4.4420 4.7784 4.7784 4.8643 4.8643 4.9841 4.9841 5.2287 5.2287 5.4789 5.4789 5.5846 5.5846 6.0218 6.0218 8.2508 8.2508 8.7208 8.7208 8.7972 8.7972 9.0403 9.0403 9.0721 9.0721 9.0961 9.0961 9.5581 9.5581 9.7457 9.7457 9.7673 9.7673 9.8291 9.8291 9.9052 9.9052 k = 0.3882 0.2241 0.5694 ( 11211 PWs) bands (ev): -5.6767 -5.6767 -5.4958 -5.4958 -5.2471 -5.2471 -5.1161 -5.1161 -5.0520 -5.0520 -4.9214 -4.9214 -4.9073 -4.9073 -4.8731 -4.8731 2.5067 2.5067 2.6861 2.6861 2.8447 2.8447 2.8765 2.8765 2.9403 2.9403 3.2409 3.2409 3.3391 3.3391 3.4348 3.4348 3.4427 3.4427 3.4990 3.4990 3.8845 3.8845 3.9334 3.9334 4.0162 4.0162 4.1049 4.1049 4.3187 4.3187 4.3905 4.3905 4.4432 4.4432 4.7856 4.7856 4.8413 4.8413 5.0118 5.0118 5.1899 5.1899 5.4516 5.4516 5.6173 5.6173 6.0336 6.0336 8.2521 8.2521 8.7036 8.7036 8.8269 8.8269 9.0155 9.0155 9.0713 9.0713 9.0981 9.0981 9.5477 9.5477 9.7517 9.7517 9.7721 9.7721 9.8345 9.8345 9.9357 9.9357 k = 0.3816 0.2203 0.5909 ( 11208 PWs) bands (ev): -5.6620 -5.6620 -5.5091 -5.5091 -5.2455 -5.2455 -5.1137 -5.1137 -5.0500 -5.0500 -4.9240 -4.9240 -4.9097 -4.9097 -4.8773 -4.8773 2.5288 2.5288 2.6720 2.6720 2.8574 2.8574 2.8830 2.8830 2.9191 2.9191 3.2737 3.2737 3.3363 3.3363 3.4088 3.4088 3.4597 3.4597 3.5069 3.5069 3.8894 3.8894 3.9432 3.9432 4.0034 4.0034 4.0938 4.0938 4.3132 4.3132 4.3734 4.3734 4.4471 4.4471 4.7907 4.7907 4.8187 4.8187 5.0353 5.0353 5.1536 5.1536 5.4264 5.4264 5.6519 5.6519 6.0450 6.0450 8.2540 8.2540 8.6869 8.6869 8.8579 8.8579 8.9579 8.9579 9.0747 9.0747 9.1291 9.1291 9.5273 9.5273 9.7618 9.7618 9.7716 9.7716 9.8437 9.8437 9.9689 9.9689 k = 0.3750 0.2165 0.6124 ( 11202 PWs) bands (ev): -5.6513 -5.6513 -5.5202 -5.5202 -5.2416 -5.2416 -5.1110 -5.1110 -5.0485 -5.0485 -4.9262 -4.9262 -4.9124 -4.9124 -4.8813 -4.8813 2.5447 2.5447 2.6611 2.6611 2.8675 2.8675 2.8839 2.8839 2.9041 2.9041 3.2568 3.2568 3.3720 3.3720 3.3957 3.3957 3.4780 3.4780 3.5152 3.5152 3.8876 3.8876 3.9536 3.9536 3.9994 3.9994 4.0851 4.0851 4.3059 4.3059 4.3572 4.3572 4.4525 4.4525 4.7930 4.7930 4.7976 4.7976 5.0476 5.0476 5.1278 5.1278 5.4036 5.4036 5.6872 5.6872 6.0558 6.0558 8.2567 8.2567 8.6708 8.6708 8.8759 8.8759 8.9148 8.9148 9.0714 9.0714 9.1675 9.1675 9.5014 9.5014 9.7571 9.7571 9.7856 9.7856 9.8559 9.8559 9.9900 9.9900 k = 0.6250-0.0722 0.4082 ( 11202 PWs) bands (ev): -5.6513 -5.6513 -5.5202 -5.5202 -5.2416 -5.2416 -5.1110 -5.1110 -5.0485 -5.0485 -4.9262 -4.9262 -4.9124 -4.9124 -4.8813 -4.8813 2.5447 2.5447 2.6611 2.6611 2.8675 2.8675 2.8839 2.8839 2.9041 2.9041 3.2568 3.2568 3.3720 3.3720 3.3957 3.3957 3.4780 3.4780 3.5152 3.5152 3.8876 3.8876 3.9536 3.9536 3.9993 3.9993 4.0851 4.0851 4.3059 4.3059 4.3572 4.3572 4.4525 4.4525 4.7930 4.7930 4.7976 4.7976 5.0476 5.0476 5.1278 5.1278 5.4036 5.4036 5.6872 5.6872 6.0558 6.0558 8.2567 8.2567 8.6707 8.6707 8.8759 8.8759 8.9148 8.9148 9.0714 9.0714 9.1675 9.1675 9.5014 9.5014 9.7571 9.7571 9.7856 9.7856 9.8559 9.8559 9.9900 9.9900 k = 0.6136-0.0919 0.4082 ( 11208 PWs) bands (ev): -5.6396 -5.6396 -5.5349 -5.5349 -5.2316 -5.2316 -5.1062 -5.1062 -5.0463 -5.0463 -4.9299 -4.9299 -4.9177 -4.9177 -4.8880 -4.8880 2.5613 2.5613 2.6491 2.6491 2.8693 2.8693 2.8810 2.8810 2.8973 2.8973 3.2057 3.2057 3.4032 3.4032 3.4285 3.4285 3.5078 3.5078 3.5326 3.5326 3.8779 3.8779 3.9725 3.9725 4.0018 4.0018 4.0712 4.0712 4.2910 4.2910 4.3319 4.3319 4.4631 4.4631 4.7613 4.7613 4.7966 4.7966 5.0486 5.0486 5.1022 5.1022 5.3657 5.3657 5.7500 5.7500 6.0736 6.0736 8.2636 8.2636 8.6409 8.6409 8.8529 8.8529 8.8983 8.8983 9.0658 9.0658 9.2332 9.2332 9.4504 9.4504 9.7407 9.7407 9.8191 9.8191 9.8829 9.8829 10.0074 10.0074 k = 0.6023-0.1115 0.4082 ( 11220 PWs) bands (ev): -5.6303 -5.6303 -5.5483 -5.5483 -5.2190 -5.2190 -5.1012 -5.1012 -5.0443 -5.0443 -4.9343 -4.9343 -4.9231 -4.9231 -4.8948 -4.8948 2.5737 2.5737 2.6379 2.6379 2.8577 2.8577 2.8858 2.8858 2.8971 2.8971 3.1584 3.1584 3.4337 3.4337 3.4599 3.4599 3.5365 3.5365 3.5541 3.5541 3.8685 3.8685 3.9896 3.9896 4.0073 4.0073 4.0555 4.0555 4.2755 4.2755 4.3095 4.3095 4.4741 4.4741 4.7281 4.7281 4.7992 4.7992 5.0377 5.0377 5.0860 5.0860 5.3271 5.3271 5.8140 5.8140 6.0905 6.0905 8.2733 8.2733 8.6075 8.6075 8.8351 8.8351 8.8804 8.8804 9.0610 9.0610 9.2966 9.2966 9.3954 9.3954 9.7256 9.7256 9.8530 9.8530 9.9156 9.9156 10.0243 10.0243 k = 0.5909-0.1312 0.4082 ( 11212 PWs) bands (ev): -5.6232 -5.6232 -5.5605 -5.5605 -5.2041 -5.2041 -5.0960 -5.0960 -5.0425 -5.0425 -4.9404 -4.9404 -4.9277 -4.9277 -4.9017 -4.9017 2.5821 2.5821 2.6276 2.6276 2.8492 2.8492 2.8807 2.8807 2.9055 2.9055 3.1152 3.1152 3.4629 3.4629 3.4890 3.4890 3.5623 3.5623 3.5811 3.5811 3.8596 3.8596 3.9986 3.9986 4.0191 4.0191 4.0393 4.0393 4.2602 4.2602 4.2907 4.2907 4.4856 4.4856 4.6973 4.6973 4.8021 4.8021 5.0117 5.0117 5.0832 5.0832 5.2884 5.2884 5.8773 5.8773 6.1063 6.1063 8.2856 8.2856 8.5721 8.5721 8.8215 8.8215 8.8621 8.8621 9.0568 9.0568 9.3364 9.3364 9.3607 9.3607 9.7121 9.7121 9.8846 9.8846 9.9528 9.9528 10.0405 10.0405 k = 0.5795-0.1509 0.4082 ( 11216 PWs) bands (ev): -5.6179 -5.6179 -5.5714 -5.5714 -5.1874 -5.1874 -5.0908 -5.0908 -5.0409 -5.0409 -4.9486 -4.9486 -4.9312 -4.9312 -4.9086 -4.9086 2.5868 2.5868 2.6182 2.6182 2.8439 2.8439 2.8747 2.8747 2.9135 2.9135 3.0762 3.0762 3.4906 3.4906 3.5153 3.5153 3.5865 3.5865 3.6116 3.6116 3.8510 3.8510 3.9961 3.9961 4.0208 4.0208 4.0404 4.0404 4.2462 4.2462 4.2758 4.2758 4.4975 4.4975 4.6692 4.6692 4.8052 4.8052 4.9802 4.9802 5.0850 5.0850 5.2505 5.2505 5.9379 5.9379 6.1209 6.1209 8.2999 8.2999 8.5362 8.5362 8.8111 8.8111 8.8445 8.8445 9.0533 9.0533 9.2832 9.2832 9.4170 9.4170 9.7004 9.7004 9.9147 9.9147 9.9913 9.9913 10.0558 10.0558 k = 0.5682-0.1706 0.4082 ( 11212 PWs) bands (ev): -5.6142 -5.6142 -5.5809 -5.5809 -5.1694 -5.1694 -5.0857 -5.0857 -5.0396 -5.0396 -4.9587 -4.9587 -4.9338 -4.9338 -4.9152 -4.9152 2.5886 2.5886 2.6100 2.6100 2.8415 2.8415 2.8692 2.8692 2.9201 2.9201 3.0416 3.0416 3.5164 3.5164 3.5385 3.5385 3.6112 3.6112 3.6430 3.6430 3.8428 3.8428 3.9776 3.9776 4.0205 4.0205 4.0532 4.0532 4.2352 4.2352 4.2645 4.2645 4.5099 4.5099 4.6441 4.6441 4.8086 4.8086 4.9480 4.9480 5.0874 5.0874 5.2142 5.2142 5.9944 5.9944 6.1340 6.1340 8.3158 8.3158 8.5015 8.5015 8.8029 8.8029 8.8285 8.8285 9.0504 9.0504 9.2306 9.2306 9.4717 9.4717 9.6902 9.6902 9.9443 9.9443 10.0284 10.0284 10.0702 10.0702 k = 0.5568-0.1903 0.4082 ( 11218 PWs) bands (ev): -5.6116 -5.6116 -5.5891 -5.5891 -5.1504 -5.1504 -5.0808 -5.0808 -5.0384 -5.0384 -4.9704 -4.9704 -4.9358 -4.9358 -4.9213 -4.9213 2.5883 2.5883 2.6029 2.6029 2.8415 2.8415 2.8644 2.8644 2.9253 2.9253 3.0115 3.0115 3.5397 3.5397 3.5583 3.5583 3.6370 3.6370 3.6737 3.6737 3.8352 3.8352 3.9514 3.9514 4.0242 4.0242 4.0611 4.0611 4.2290 4.2290 4.2565 4.2565 4.5225 4.5225 4.6221 4.6221 4.8122 4.8122 4.9170 4.9170 5.0892 5.0892 5.1804 5.1804 6.0452 6.0452 6.1454 6.1454 8.3324 8.3324 8.4693 8.4693 8.7965 8.7965 8.8148 8.8148 9.0480 9.0480 9.1813 9.1813 9.5222 9.5222 9.6818 9.6818 9.9743 9.9743 10.0617 10.0617 10.0836 10.0836 k = 0.5455-0.2099 0.4082 ( 11214 PWs) bands (ev): -5.6099 -5.6099 -5.5958 -5.5958 -5.1310 -5.1310 -5.0763 -5.0763 -5.0374 -5.0374 -4.9834 -4.9834 -4.9373 -4.9373 -4.9269 -4.9269 2.5868 2.5868 2.5969 2.5969 2.8432 2.8432 2.8603 2.8603 2.9294 2.9294 2.9860 2.9860 3.5601 3.5601 3.5746 3.5746 3.6640 3.6640 3.7026 3.7026 3.8281 3.8281 3.9223 3.9223 4.0286 4.0286 4.0620 4.0620 4.2285 4.2285 4.2510 4.2510 4.5350 4.5350 4.6036 4.6036 4.8158 4.8158 4.8886 4.8886 5.0903 5.0903 5.1505 5.1505 6.0890 6.0890 6.1550 6.1550 8.3486 8.3486 8.4409 8.4409 8.7914 8.7914 8.8040 8.8040 9.0462 9.0462 9.1370 9.1370 9.5674 9.5674 9.6749 9.6749 10.0047 10.0047 10.0877 10.0877 10.0972 10.0972 k = 0.5341-0.2296 0.4082 ( 11222 PWs) bands (ev): -5.6088 -5.6088 -5.6010 -5.6010 -5.1117 -5.1117 -5.0725 -5.0725 -5.0367 -5.0367 -4.9975 -4.9975 -4.9384 -4.9384 -4.9315 -4.9315 2.5851 2.5851 2.5919 2.5919 2.8460 2.8460 2.8570 2.8570 2.9324 2.9324 2.9651 2.9651 3.5771 3.5771 3.5872 3.5872 3.6918 3.6918 3.7283 3.7283 3.8219 3.8219 3.8920 3.8920 4.0327 4.0327 4.0572 4.0572 4.2324 4.2324 4.2476 4.2476 4.5466 4.5466 4.5889 4.5889 4.8191 4.8191 4.8641 4.8641 5.0908 5.0908 5.1255 5.1255 6.1246 6.1246 6.1626 6.1626 8.3632 8.3632 8.4175 8.4175 8.7876 8.7876 8.7962 8.7962 9.0447 9.0447 9.0991 9.0991 9.6060 9.6060 9.6696 9.6696 10.0353 10.0353 10.1007 10.1007 10.1130 10.1130 k = 0.5227-0.2493 0.4082 ( 11214 PWs) bands (ev): -5.6082 -5.6082 -5.6048 -5.6048 -5.0929 -5.0929 -5.0696 -5.0696 -5.0361 -5.0361 -5.0123 -5.0123 -4.9392 -4.9392 -4.9352 -4.9352 2.5838 2.5838 2.5881 2.5881 2.8492 2.8492 2.8547 2.8547 2.9344 2.9344 2.9494 2.9494 3.5901 3.5901 3.5961 3.5961 3.7198 3.7198 3.7489 3.7489 3.8171 3.8171 3.8619 3.8619 4.0359 4.0359 4.0497 4.0497 4.2379 4.2379 4.2455 4.2455 4.5565 4.5565 4.5781 4.5781 4.8218 4.8218 4.8447 4.8447 5.0909 5.0909 5.1066 5.1066 6.1509 6.1509 6.1681 6.1681 8.3750 8.3750 8.4000 8.4000 8.7854 8.7854 8.7909 8.7909 9.0438 9.0438 9.0697 9.0697 9.6359 9.6359 9.6658 9.6658 10.0652 10.0652 10.1063 10.1063 10.1167 10.1167 k = 0.5114-0.2690 0.4082 ( 11242 PWs) bands (ev): -5.6079 -5.6079 -5.6070 -5.6070 -5.0763 -5.0763 -5.0677 -5.0677 -5.0358 -5.0358 -5.0266 -5.0266 -4.9394 -4.9394 -4.9376 -4.9376 2.5832 2.5832 2.5853 2.5853 2.8517 2.8517 2.8532 2.8532 2.9356 2.9356 2.9395 2.9395 3.5984 3.5984 3.6011 3.6011 3.7460 3.7460 3.7621 3.7621 3.8143 3.8143 3.8344 3.8344 4.0381 4.0381 4.0432 4.0432 4.2424 4.2424 4.2445 4.2445 4.5635 4.5635 4.5712 4.5712 4.8238 4.8238 4.8319 4.8319 5.0908 5.0908 5.0947 5.0947 6.1671 6.1671 6.1714 6.1714 8.3826 8.3826 8.3892 8.3892 8.7847 8.7847 8.7876 8.7876 9.0432 9.0432 9.0508 9.0508 9.6552 9.6552 9.6636 9.6636 10.0908 10.0908 10.1065 10.1065 10.1206 10.1206 k = 0.5000-0.2887 0.4082 ( 11278 PWs) bands (ev): -5.6078 -5.6078 -5.6078 -5.6078 -5.0674 -5.0674 -5.0674 -5.0674 -5.0350 -5.0350 -5.0350 -5.0350 -4.9390 -4.9390 -4.9390 -4.9390 2.5837 2.5837 2.5837 2.5837 2.8527 2.8527 2.8527 2.8527 2.9360 2.9360 2.9360 2.9360 3.6020 3.6020 3.6020 3.6020 3.7630 3.7630 3.7630 3.7630 3.8170 3.8170 3.8170 3.8170 4.0398 4.0398 4.0398 4.0398 4.2441 4.2441 4.2441 4.2441 4.5674 4.5674 4.5674 4.5674 4.8260 4.8260 4.8260 4.8260 5.0907 5.0907 5.0907 5.0907 6.1725 6.1725 6.1725 6.1725 8.3854 8.3854 8.3854 8.3854 8.7855 8.7855 8.7855 8.7855 9.0437 9.0437 9.0437 9.0437 9.6623 9.6623 9.6623 9.6623 10.1034 10.1034 10.1034 10.1034 10.1306 10.1306 Writing output data file Zr3S4.save init_run : 0.60s CPU 0.71s WALL ( 1 calls) electrons : 1452.86s CPU 1460.89s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.06s CPU 0.10s WALL ( 1 calls) Called by electrons: c_bands : 1452.84s CPU 1460.88s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.09s CPU 0.10s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.07s CPU 0.11s WALL ( 210 calls) cegterg : 1359.81s CPU 1366.58s WALL ( 715 calls) Called by sum_band: Called by *egterg: h_psi : 728.48s CPU 733.92s WALL ( 13340 calls) s_psi : 36.30s CPU 36.11s WALL ( 13340 calls) g_psi : 0.49s CPU 0.57s WALL ( 12415 calls) cdiaghg : 573.01s CPU 574.62s WALL ( 12625 calls) cegterg:over : 46.91s CPU 47.07s WALL ( 12415 calls) cegterg:upda : 26.06s CPU 25.92s WALL ( 12415 calls) cegterg:last : 14.75s CPU 14.87s WALL ( 1536 calls) cdiaghg:chol : 20.14s CPU 20.30s WALL ( 12625 calls) cdiaghg:inve : 16.41s CPU 16.35s WALL ( 12625 calls) cdiaghg:para : 53.32s CPU 53.65s WALL ( 25250 calls) Called by h_psi: h_psi:vloc : 651.24s CPU 656.48s WALL ( 13340 calls) h_psi:vnl : 76.51s CPU 76.65s WALL ( 13340 calls) add_vuspsi : 35.53s CPU 35.53s WALL ( 13340 calls) General routines calbec : 40.93s CPU 41.07s WALL ( 13340 calls) fft : 0.01s CPU 0.01s WALL ( 15 calls) fftw : 642.01s CPU 647.23s WALL ( 1518840 calls) davcio : 0.22s CPU 0.68s WALL ( 420 calls) Parallel routines fft_scatter : 529.02s CPU 533.13s WALL ( 1518855 calls) PWSCF : 25m35.78s CPU 26m 4.72s WALL This run was terminated on: 9:55: 0 1Feb2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=